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 2psn_1_C DATA FIRST_RESID 1 DATA SEQUENCE SILKIHAREI FDSRGNPTVE VDLFTSKGLF RAAVPSGAST GIYEALELRD DATA SEQUENCE NDKTRYMGKG VSKAVEHINK TIAPALVSKK LNVTEQEKID KLMIEMDGTE DATA SEQUENCE NKSKFGANAI LGVSLAVCKA GAVEKGVPLY RHIADLAGNS EVILPVPAFN DATA SEQUENCE VINGGSHAGN KLAMQEFMIL PVGAANFREA MRIGAEVYHN LKNVIKEKYG DATA SEQUENCE KDATNVGDEG GFAPNILENK EGLELLKTAI GKAGYTDKVV IGMDVAASEF DATA SEQUENCE FRSGKYDLDF KSPDDPSRYI SPDQLADLYK SFIKDYPVVS IEDPFDQDDW DATA SEQUENCE GAWQKFTASA GIQVVGDDLT VTNPKRIAKA VNEKSCNCLL LKVNQIGSVT DATA SEQUENCE ESLQACKLAQ ANGWGVMVSH RSGETEDTFI ADLVVGLCTG QIKTGAPCRS DATA SEQUENCE ERLAKYNQLL RIEEELGSKA KFAGRNFRNP LAK 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.624 174.600 0.039 0.000 1.055 1 S CA 0.000 58.212 58.200 0.020 0.000 1.107 1 S CB 0.000 63.204 63.200 0.006 0.000 0.593 2 I N 3.031 123.625 120.570 0.039 0.000 2.379 2 I HA 0.248 4.418 4.170 -0.001 0.000 0.290 2 I C 1.108 177.271 176.117 0.076 0.000 1.063 2 I CA -0.246 61.093 61.300 0.065 0.000 1.351 2 I CB 0.969 38.999 38.000 0.050 0.000 1.410 2 I HN 0.272 nan 8.210 nan 0.000 0.505 3 L N 5.734 127.024 121.223 0.111 0.000 2.298 3 L HA 0.210 4.550 4.340 -0.001 0.000 0.209 3 L C 0.809 177.725 176.870 0.077 0.000 1.084 3 L CA 0.581 55.471 54.840 0.083 0.000 0.816 3 L CB -0.081 42.028 42.059 0.083 0.000 0.967 3 L HN 0.543 nan 8.230 nan 0.000 0.460 4 K N 0.286 120.779 120.400 0.155 0.000 2.562 4 K HA 0.530 4.850 4.320 -0.001 0.000 0.267 4 K C -1.910 174.863 176.600 0.290 0.000 0.938 4 K CA -0.537 55.842 56.287 0.153 0.000 0.840 4 K CB 2.481 34.982 32.500 0.002 0.000 1.390 4 K HN -0.110 nan 8.250 nan 0.000 0.428 5 I N 2.987 123.686 120.570 0.215 0.000 2.569 5 I HA 0.336 4.505 4.170 -0.001 0.000 0.290 5 I C -1.178 175.074 176.117 0.224 0.000 1.088 5 I CA -0.765 60.659 61.300 0.206 0.000 1.047 5 I CB 2.088 40.147 38.000 0.097 0.000 1.237 5 I HN 0.591 nan 8.210 nan 0.000 0.421 6 H N 5.436 124.584 119.070 0.130 0.000 2.966 6 H HA 0.694 5.249 4.556 -0.001 0.000 0.347 6 H C -1.754 173.607 175.328 0.054 0.000 1.048 6 H CA -0.464 55.636 56.048 0.087 0.000 1.295 6 H CB 2.065 31.899 29.762 0.120 0.000 1.744 6 H HN 0.749 nan 8.280 nan 0.000 0.513 7 A N 4.857 127.367 122.820 -0.517 0.000 2.311 7 A HA 0.782 5.102 4.320 -0.001 0.000 0.334 7 A C -0.305 176.995 177.584 -0.473 0.000 1.139 7 A CA -0.747 51.075 52.037 -0.358 0.000 0.830 7 A CB 1.219 20.088 19.000 -0.217 0.000 1.234 7 A HN 0.876 nan 8.150 nan 0.000 0.483 8 R N 0.343 120.708 120.500 -0.226 0.000 2.781 8 R HA 0.633 4.973 4.340 -0.001 0.000 0.269 8 R C -1.194 175.033 176.300 -0.122 0.000 1.025 8 R CA -0.752 55.264 56.100 -0.140 0.000 0.914 8 R CB 1.202 31.486 30.300 -0.027 0.000 1.236 8 R HN 0.601 nan 8.270 nan 0.000 0.465 9 E N 1.788 121.915 120.200 -0.121 0.000 2.174 9 E HA 0.379 4.729 4.350 -0.001 0.000 0.282 9 E C -0.377 176.083 176.600 -0.233 0.000 0.992 9 E CA -0.721 55.558 56.400 -0.201 0.000 0.803 9 E CB 0.987 30.556 29.700 -0.217 0.000 1.090 9 E HN 0.479 nan 8.360 nan 0.000 0.396 10 I N -0.542 119.856 120.570 -0.287 0.000 3.516 10 I HA 0.604 4.774 4.170 -0.001 0.000 0.297 10 I C -1.075 174.767 176.117 -0.457 0.000 1.139 10 I CA -1.180 59.986 61.300 -0.223 0.000 1.020 10 I CB 1.302 39.277 38.000 -0.041 0.000 1.341 10 I HN 0.247 nan 8.210 nan 0.000 0.490 11 F N 1.230 121.142 119.950 -0.063 0.000 2.508 11 F HA 0.420 4.946 4.527 -0.001 0.000 0.325 11 F C -0.030 175.739 175.800 -0.051 0.000 1.090 11 F CA -0.503 57.453 58.000 -0.073 0.000 0.945 11 F CB 1.336 40.307 39.000 -0.049 0.000 1.156 11 F HN 0.586 nan 8.300 nan 0.000 0.463 12 D N -0.456 120.002 120.400 0.097 0.000 2.478 12 D HA 0.126 4.766 4.640 -0.001 0.000 0.269 12 D C 1.086 177.428 176.300 0.070 0.000 1.232 12 D CA -0.343 53.686 54.000 0.050 0.000 1.059 12 D CB 0.246 41.045 40.800 -0.003 0.000 1.104 12 D HN 0.397 nan 8.370 nan 0.000 0.566 13 S N -1.367 114.352 115.700 0.031 0.000 2.507 13 S HA -0.102 4.368 4.470 -0.001 0.000 0.235 13 S C 1.440 176.054 174.600 0.023 0.000 0.988 13 S CA 0.353 58.568 58.200 0.025 0.000 0.944 13 S CB -0.365 62.837 63.200 0.004 0.000 0.762 13 S HN 0.490 nan 8.310 nan 0.000 0.526 14 R N 0.205 120.722 120.500 0.028 0.000 2.362 14 R HA 0.270 4.610 4.340 -0.001 0.000 0.227 14 R C 1.264 177.604 176.300 0.067 0.000 0.905 14 R CA 0.431 56.551 56.100 0.032 0.000 1.067 14 R CB 0.223 30.533 30.300 0.016 0.000 1.078 14 R HN 0.568 nan 8.270 nan 0.000 0.516 15 G N 1.290 110.153 108.800 0.104 0.000 2.141 15 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.242 15 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.242 15 G C -0.333 174.751 174.900 0.307 0.000 0.982 15 G CA -0.244 44.961 45.100 0.174 0.000 0.662 15 G HN 0.245 nan 8.290 nan 0.000 0.527 16 N N 0.954 119.757 118.700 0.171 0.000 2.456 16 N HA 0.532 5.271 4.740 -0.001 0.000 0.296 16 N C -2.722 172.691 175.510 -0.162 0.000 1.102 16 N CA -1.487 51.589 53.050 0.042 0.000 0.924 16 N CB 1.568 40.057 38.487 0.003 0.000 1.186 16 N HN 0.007 nan 8.380 nan 0.000 0.492 17 P HA 0.117 nan 4.420 nan 0.000 0.269 17 P C -0.192 176.887 177.300 -0.368 0.000 1.215 17 P CA 0.256 62.934 63.100 -0.704 0.000 0.780 17 P CB 0.692 31.889 31.700 -0.839 0.000 0.898 18 T N 0.486 114.840 114.554 -0.333 0.000 2.769 18 T HA 0.353 4.703 4.350 -0.001 0.000 0.306 18 T C -1.261 173.334 174.700 -0.176 0.000 1.400 18 T CA -0.562 61.422 62.100 -0.194 0.000 1.007 18 T CB 0.655 69.447 68.868 -0.127 0.000 1.392 18 T HN -0.042 nan 8.240 nan 0.000 0.500 19 V N 2.741 122.582 119.914 -0.123 0.000 2.583 19 V HA 0.553 4.673 4.120 -0.001 0.000 0.287 19 V C 0.253 176.292 176.094 -0.091 0.000 1.051 19 V CA -0.184 62.053 62.300 -0.106 0.000 1.010 19 V CB 1.195 32.969 31.823 -0.081 0.000 0.988 19 V HN 0.850 nan 8.190 nan 0.000 0.478 20 E N 3.556 123.703 120.200 -0.089 0.000 2.272 20 E HA 0.675 5.025 4.350 -0.001 0.000 0.269 20 E C -1.956 174.603 176.600 -0.068 0.000 0.877 20 E CA -0.555 55.805 56.400 -0.065 0.000 0.755 20 E CB 2.331 32.003 29.700 -0.048 0.000 1.192 20 E HN 0.423 nan 8.360 nan 0.000 0.422 21 V N 3.377 123.259 119.914 -0.053 0.000 2.604 21 V HA 0.360 4.480 4.120 -0.001 0.000 0.305 21 V C -0.998 175.081 176.094 -0.025 0.000 1.043 21 V CA -0.876 61.398 62.300 -0.045 0.000 0.888 21 V CB 2.012 33.808 31.823 -0.044 0.000 0.995 21 V HN 0.730 nan 8.190 nan 0.000 0.429 22 D N 3.650 124.053 120.400 0.005 0.000 2.308 22 D HA 0.616 5.255 4.640 -0.001 0.000 0.242 22 D C -0.754 175.532 176.300 -0.025 0.000 1.059 22 D CA -0.011 53.957 54.000 -0.054 0.000 0.830 22 D CB 2.137 42.960 40.800 0.039 0.000 1.161 22 D HN 0.434 nan 8.370 nan 0.000 0.494 23 L N 2.903 124.047 121.223 -0.132 0.000 2.385 23 L HA 0.597 4.936 4.340 -0.001 0.000 0.273 23 L C -1.566 175.281 176.870 -0.037 0.000 0.990 23 L CA -0.664 54.202 54.840 0.043 0.000 0.821 23 L CB 1.013 43.127 42.059 0.091 0.000 1.279 23 L HN 0.156 nan 8.230 nan 0.000 0.412 24 F N 2.057 122.099 119.950 0.153 0.000 2.508 24 F HA 0.743 5.269 4.527 -0.001 0.000 0.325 24 F C 0.521 176.418 175.800 0.163 0.000 1.090 24 F CA -0.390 57.702 58.000 0.154 0.000 0.945 24 F CB 2.328 41.366 39.000 0.065 0.000 1.156 24 F HN 0.509 nan 8.300 nan 0.000 0.463 25 T N -2.977 111.811 114.554 0.389 0.000 2.742 25 T HA 0.310 4.660 4.350 -0.001 0.000 0.282 25 T C 0.867 175.699 174.700 0.219 0.000 1.025 25 T CA -0.076 62.174 62.100 0.250 0.000 1.020 25 T CB 1.147 70.137 68.868 0.203 0.000 1.317 25 T HN 0.524 nan 8.240 nan 0.000 0.538 26 S N -0.095 115.690 115.700 0.142 0.000 2.469 26 S HA -0.064 4.405 4.470 -0.001 0.000 0.238 26 S C 1.443 176.115 174.600 0.120 0.000 0.998 26 S CA 0.312 58.576 58.200 0.107 0.000 0.957 26 S CB -0.557 62.683 63.200 0.067 0.000 0.764 26 S HN 0.610 nan 8.310 nan 0.000 0.514 27 K N 1.398 121.904 120.400 0.176 0.000 2.365 27 K HA 0.321 4.641 4.320 -0.001 0.000 0.197 27 K C 1.344 178.026 176.600 0.136 0.000 1.042 27 K CA 0.741 57.141 56.287 0.188 0.000 0.987 27 K CB -0.138 32.532 32.500 0.283 0.000 0.779 27 K HN 0.595 nan 8.250 nan 0.000 0.484 28 G N 0.961 109.834 108.800 0.121 0.000 2.250 28 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.252 28 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.252 28 G C -1.963 172.732 174.900 -0.342 0.000 1.325 28 G CA -0.624 44.419 45.100 -0.095 0.000 1.091 28 G HN 0.092 nan 8.290 nan 0.000 0.476 29 L N 0.201 121.029 121.223 -0.658 0.000 2.289 29 L HA 0.906 5.245 4.340 -0.001 0.000 0.285 29 L C -1.262 174.895 176.870 -1.188 0.000 1.049 29 L CA -1.067 53.221 54.840 -0.919 0.000 0.804 29 L CB 0.783 42.445 42.059 -0.663 0.000 1.195 29 L HN 0.447 nan 8.230 nan 0.000 0.428 30 F N 4.632 124.376 119.950 -0.343 0.000 2.507 30 F HA 0.612 5.138 4.527 -0.001 0.000 0.328 30 F C 0.049 175.738 175.800 -0.185 0.000 1.136 30 F CA -0.541 57.346 58.000 -0.188 0.000 0.930 30 F CB 1.539 40.465 39.000 -0.124 0.000 1.166 30 F HN 0.481 nan 8.300 nan 0.000 0.436 31 R N 2.281 122.773 120.500 -0.013 0.000 2.599 31 R HA 0.938 5.278 4.340 -0.001 0.000 0.295 31 R C -1.585 174.726 176.300 0.019 0.000 0.963 31 R CA -0.621 55.463 56.100 -0.027 0.000 0.883 31 R CB 1.717 31.980 30.300 -0.063 0.000 1.171 31 R HN 0.824 nan 8.270 nan 0.000 0.450 32 A N 2.273 125.091 122.820 -0.002 0.000 2.572 32 A HA 0.849 5.169 4.320 -0.001 0.000 0.295 32 A C -1.684 175.879 177.584 -0.035 0.000 1.072 32 A CA -0.481 51.549 52.037 -0.011 0.000 0.691 32 A CB 1.946 20.919 19.000 -0.044 0.000 1.291 32 A HN 0.842 nan 8.150 nan 0.000 0.404 33 A N 0.203 123.001 122.820 -0.036 0.000 2.469 33 A HA 0.796 5.115 4.320 -0.001 0.000 0.299 33 A C -1.073 176.476 177.584 -0.057 0.000 1.098 33 A CA -0.539 51.471 52.037 -0.044 0.000 0.737 33 A CB 1.392 20.376 19.000 -0.026 0.000 1.312 33 A HN 1.415 nan 8.150 nan 0.000 0.414 34 V N 2.840 122.717 119.914 -0.061 0.000 2.435 34 V HA 0.508 4.627 4.120 -0.001 0.000 0.290 34 V C -2.013 174.053 176.094 -0.047 0.000 1.030 34 V CA -1.329 60.934 62.300 -0.061 0.000 0.881 34 V CB 1.480 33.265 31.823 -0.064 0.000 0.983 34 V HN 0.877 nan 8.190 nan 0.000 0.445 35 P HA 0.344 nan 4.420 nan 0.000 0.278 35 P C -0.788 176.490 177.300 -0.036 0.000 1.266 35 P CA -0.461 62.621 63.100 -0.031 0.000 0.807 35 P CB 1.612 33.303 31.700 -0.015 0.000 1.094 36 S N -0.751 114.924 115.700 -0.042 0.000 2.614 36 S HA 0.608 5.078 4.470 -0.001 0.000 0.275 36 S C -0.190 174.385 174.600 -0.042 0.000 1.161 36 S CA -0.624 57.554 58.200 -0.036 0.000 0.969 36 S CB 0.437 63.615 63.200 -0.038 0.000 1.059 36 S HN 0.643 nan 8.310 nan 0.000 0.482 37 G N 1.879 110.666 108.800 -0.022 0.000 2.528 37 G HA2 0.615 4.575 3.960 -0.001 0.000 0.289 37 G HA3 0.615 4.575 3.960 -0.001 0.000 0.289 37 G C 0.749 175.658 174.900 0.015 0.000 1.192 37 G CA -0.051 45.042 45.100 -0.011 0.000 0.921 37 G HN 1.022 nan 8.290 nan 0.000 0.512 38 A N -0.271 122.584 122.820 0.059 0.000 1.969 38 A HA 0.327 4.646 4.320 -0.001 0.000 0.205 38 A C 1.708 179.364 177.584 0.121 0.000 1.364 38 A CA 1.111 53.208 52.037 0.100 0.000 0.756 38 A CB -0.260 18.835 19.000 0.157 0.000 0.988 38 A HN 1.170 nan 8.150 nan 0.000 0.490 39 S N 2.121 117.917 115.700 0.160 0.000 3.940 39 S HA 0.361 4.830 4.470 -0.001 0.000 0.210 39 S C 0.120 174.754 174.600 0.057 0.000 1.419 39 S CA 0.103 58.357 58.200 0.091 0.000 0.912 39 S CB -0.974 62.260 63.200 0.057 0.000 1.489 39 S HN 0.578 nan 8.310 nan 0.000 0.469 40 T N 0.223 114.803 114.554 0.043 0.000 2.780 40 T HA 0.577 4.927 4.350 -0.001 0.000 0.294 40 T C 0.777 175.483 174.700 0.009 0.000 0.949 40 T CA -0.544 61.572 62.100 0.027 0.000 1.074 40 T CB 0.900 69.781 68.868 0.021 0.000 0.910 40 T HN 0.555 nan 8.240 nan 0.000 0.501 41 G N 2.421 111.231 108.800 0.015 0.000 2.491 41 G HA2 0.351 4.310 3.960 -0.001 0.000 0.242 41 G HA3 0.351 4.310 3.960 -0.001 0.000 0.242 41 G C 1.172 176.053 174.900 -0.032 0.000 1.266 41 G CA -0.725 44.380 45.100 0.008 0.000 0.844 41 G HN 1.057 nan 8.290 nan 0.000 0.571 42 I N -1.064 119.429 120.570 -0.129 0.000 2.700 42 I HA -0.072 4.098 4.170 -0.001 0.000 0.261 42 I C 1.095 177.001 176.117 -0.353 0.000 1.219 42 I CA 0.968 62.104 61.300 -0.272 0.000 1.463 42 I CB -0.230 37.520 38.000 -0.418 0.000 1.092 42 I HN 0.488 nan 8.210 nan 0.000 0.452 43 Y N 1.778 122.080 120.300 0.003 0.000 2.457 43 Y HA 0.310 4.860 4.550 -0.001 0.000 0.263 43 Y C 0.975 176.876 175.900 0.002 0.000 1.164 43 Y CA -0.512 57.592 58.100 0.006 0.000 1.274 43 Y CB -0.116 38.351 38.460 0.012 0.000 1.097 43 Y HN 0.198 nan 8.280 nan 0.000 0.523 44 E N 1.133 121.394 120.200 0.101 0.000 2.418 44 E HA 0.256 4.606 4.350 -0.001 0.000 0.261 44 E C 0.278 176.905 176.600 0.045 0.000 1.070 44 E CA -0.189 56.250 56.400 0.066 0.000 0.931 44 E CB 0.747 30.471 29.700 0.039 0.000 0.954 44 E HN 0.278 nan 8.360 nan 0.000 0.439 45 A N 2.235 125.075 122.820 0.034 0.000 2.448 45 A HA 0.064 4.384 4.320 -0.001 0.000 0.239 45 A C -0.131 177.459 177.584 0.009 0.000 1.080 45 A CA -0.367 51.681 52.037 0.018 0.000 0.779 45 A CB 0.183 19.189 19.000 0.010 0.000 1.026 45 A HN 0.513 nan 8.150 nan 0.000 0.499 46 L N 0.720 121.944 121.223 0.001 0.000 2.477 46 L HA 0.187 4.526 4.340 -0.001 0.000 0.272 46 L C 0.654 177.528 176.870 0.005 0.000 1.157 46 L CA 0.381 55.221 54.840 0.001 0.000 0.889 46 L CB 0.318 42.373 42.059 -0.006 0.000 1.158 46 L HN 0.752 nan 8.230 nan 0.000 0.473 47 E N 5.257 125.460 120.200 0.006 0.000 2.044 47 E HA 0.181 4.531 4.350 -0.001 0.000 0.282 47 E C -0.999 175.609 176.600 0.013 0.000 1.031 47 E CA -0.856 55.547 56.400 0.005 0.000 0.824 47 E CB 0.807 30.507 29.700 -0.000 0.000 1.076 47 E HN 0.611 nan 8.360 nan 0.000 0.395 48 L N 5.945 127.183 121.223 0.025 0.000 2.385 48 L HA 0.230 4.569 4.340 -0.001 0.000 0.281 48 L C -0.602 176.286 176.870 0.030 0.000 1.106 48 L CA 0.161 55.026 54.840 0.042 0.000 0.856 48 L CB 0.133 42.243 42.059 0.085 0.000 1.186 48 L HN 0.492 nan 8.230 nan 0.000 0.453 49 R N 3.153 123.668 120.500 0.025 0.000 2.720 49 R HA 0.285 4.625 4.340 -0.001 0.000 0.272 49 R C 0.342 176.659 176.300 0.028 0.000 0.991 49 R CA -0.703 55.408 56.100 0.017 0.000 1.010 49 R CB 1.149 31.459 30.300 0.017 0.000 1.141 49 R HN 0.572 nan 8.270 nan 0.000 0.494 50 D N 1.056 121.472 120.400 0.027 0.000 2.183 50 D HA -0.071 4.568 4.640 -0.001 0.000 0.203 50 D C -0.092 176.230 176.300 0.037 0.000 0.969 50 D CA 0.626 54.646 54.000 0.032 0.000 0.842 50 D CB 0.142 40.963 40.800 0.036 0.000 0.957 50 D HN 0.457 nan 8.370 nan 0.000 0.484 51 N N 1.479 120.204 118.700 0.041 0.000 2.754 51 N HA -0.175 4.565 4.740 -0.001 0.000 0.248 51 N C -0.776 174.757 175.510 0.038 0.000 1.093 51 N CA 0.695 53.769 53.050 0.039 0.000 0.699 51 N CB -1.233 37.274 38.487 0.032 0.000 1.016 51 N HN 0.300 nan 8.380 nan 0.000 0.552 52 D N 0.794 121.221 120.400 0.045 0.000 2.467 52 D HA 0.205 4.845 4.640 -0.001 0.000 0.220 52 D C 0.983 177.306 176.300 0.038 0.000 1.103 52 D CA -0.379 53.643 54.000 0.036 0.000 0.886 52 D CB 0.515 41.336 40.800 0.036 0.000 1.025 52 D HN 0.097 nan 8.370 nan 0.000 0.514 53 K N 0.914 121.332 120.400 0.031 0.000 2.442 53 K HA -0.133 4.187 4.320 -0.001 0.000 0.200 53 K C 1.674 178.284 176.600 0.017 0.000 1.045 53 K CA 1.503 57.808 56.287 0.029 0.000 0.937 53 K CB 0.042 32.556 32.500 0.025 0.000 0.757 53 K HN 0.487 nan 8.250 nan 0.000 0.474 54 T N -2.131 112.426 114.554 0.006 0.000 3.081 54 T HA 0.021 4.370 4.350 -0.001 0.000 0.255 54 T C 0.725 175.398 174.700 -0.045 0.000 1.113 54 T CA -0.179 61.912 62.100 -0.014 0.000 1.082 54 T CB 0.162 69.021 68.868 -0.015 0.000 0.939 54 T HN 0.002 nan 8.240 nan 0.000 0.506 55 R N -0.135 120.347 120.500 -0.031 0.000 2.388 55 R HA 0.392 4.732 4.340 -0.001 0.000 0.314 55 R C -0.976 175.333 176.300 0.016 0.000 0.959 55 R CA -0.843 55.198 56.100 -0.099 0.000 0.851 55 R CB 0.235 30.513 30.300 -0.036 0.000 1.168 55 R HN 0.368 nan 8.270 nan 0.000 0.472 56 Y N 4.897 125.226 120.300 0.048 0.000 3.825 56 Y HA -0.354 4.195 4.550 -0.001 0.000 0.221 56 Y C 0.442 176.369 175.900 0.045 0.000 1.195 56 Y CA 0.900 59.035 58.100 0.059 0.000 1.699 56 Y CB -1.119 37.372 38.460 0.051 0.000 1.531 56 Y HN 0.764 nan 8.280 nan 0.000 0.640 57 M N -1.929 117.744 119.600 0.121 0.000 2.682 57 M HA -0.324 4.156 4.480 -0.001 0.000 0.196 57 M C 1.238 177.592 176.300 0.090 0.000 0.542 57 M CA 1.635 56.989 55.300 0.090 0.000 0.593 57 M CB -2.158 30.497 32.600 0.092 0.000 2.183 57 M HN 1.335 nan 8.290 nan 0.000 0.663 58 G N 0.090 108.951 108.800 0.102 0.000 2.157 58 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.239 58 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.239 58 G C 0.433 175.385 174.900 0.086 0.000 0.982 58 G CA 0.536 45.686 45.100 0.084 0.000 0.650 58 G HN 0.559 nan 8.290 nan 0.000 0.527 59 K N 0.785 121.255 120.400 0.117 0.000 2.493 59 K HA 0.389 4.708 4.320 -0.001 0.000 0.207 59 K C 1.498 178.098 176.600 0.000 0.000 1.033 59 K CA 0.117 56.438 56.287 0.057 0.000 1.161 59 K CB 0.741 33.268 32.500 0.045 0.000 0.873 59 K HN 0.390 nan 8.250 nan 0.000 0.491 60 G N 0.653 109.495 108.800 0.069 0.000 2.636 60 G HA2 0.191 4.150 3.960 -0.001 0.000 0.246 60 G HA3 0.191 4.150 3.960 -0.001 0.000 0.246 60 G C 0.592 175.462 174.900 -0.051 0.000 1.216 60 G CA -0.401 44.703 45.100 0.007 0.000 0.854 60 G HN 0.126 nan 8.290 nan 0.000 0.572 61 V N -1.446 118.407 119.914 -0.101 0.000 3.111 61 V HA 0.210 4.330 4.120 -0.001 0.000 0.343 61 V C 1.700 177.751 176.094 -0.072 0.000 1.417 61 V CA 0.543 62.795 62.300 -0.081 0.000 1.142 61 V CB -0.170 31.585 31.823 -0.113 0.000 1.114 61 V HN 0.805 nan 8.190 nan 0.000 0.520 62 S N 0.539 116.205 115.700 -0.057 0.000 2.419 62 S HA -0.181 4.289 4.470 -0.001 0.000 0.233 62 S C 1.752 176.302 174.600 -0.084 0.000 1.016 62 S CA 1.560 59.725 58.200 -0.059 0.000 0.974 62 S CB -0.401 62.783 63.200 -0.027 0.000 0.786 62 S HN 0.697 nan 8.310 nan 0.000 0.492 63 K N 1.620 121.975 120.400 -0.076 0.000 2.001 63 K HA 0.128 4.447 4.320 -0.001 0.000 0.208 63 K C 2.654 179.162 176.600 -0.155 0.000 1.048 63 K CA 1.133 57.330 56.287 -0.149 0.000 0.932 63 K CB -0.606 31.858 32.500 -0.061 0.000 0.715 63 K HN 0.452 nan 8.250 nan 0.000 0.437 64 A N 1.057 123.887 122.820 0.017 0.000 1.883 64 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 64 A C 2.372 179.962 177.584 0.010 0.000 1.186 64 A CA 1.624 53.725 52.037 0.107 0.000 0.624 64 A CB -0.818 18.216 19.000 0.057 0.000 0.822 64 A HN 0.091 nan 8.150 nan 0.000 0.444 65 V N 0.016 119.893 119.914 -0.062 0.000 2.407 65 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 65 V C 2.542 178.565 176.094 -0.119 0.000 1.055 65 V CA 2.362 64.601 62.300 -0.102 0.000 1.049 65 V CB -0.622 31.130 31.823 -0.118 0.000 0.662 65 V HN 0.805 nan 8.190 nan 0.000 0.455 66 E N -0.948 119.166 120.200 -0.143 0.000 2.106 66 E HA -0.238 4.112 4.350 -0.001 0.000 0.192 66 E C 2.230 178.734 176.600 -0.159 0.000 0.984 66 E CA 1.008 57.311 56.400 -0.162 0.000 0.806 66 E CB -0.097 29.482 29.700 -0.202 0.000 0.750 66 E HN 0.678 nan 8.360 nan 0.000 0.458 67 H N 0.471 119.491 119.070 -0.083 0.000 2.387 67 H HA -0.134 4.421 4.556 -0.001 0.000 0.299 67 H C 2.249 177.400 175.328 -0.294 0.000 1.099 67 H CA 1.492 57.442 56.048 -0.162 0.000 1.315 67 H CB -0.133 29.576 29.762 -0.088 0.000 1.380 67 H HN 0.309 nan 8.280 nan 0.000 0.513 68 I N 0.650 121.160 120.570 -0.101 0.000 2.193 68 I HA -0.236 3.933 4.170 -0.001 0.000 0.240 68 I C 2.163 178.207 176.117 -0.121 0.000 1.084 68 I CA 0.867 62.079 61.300 -0.147 0.000 1.365 68 I CB -0.183 37.749 38.000 -0.113 0.000 1.064 68 I HN 0.137 nan 8.210 nan 0.000 0.410 69 N N 1.158 119.796 118.700 -0.103 0.000 2.120 69 N HA -0.154 4.586 4.740 -0.001 0.000 0.188 69 N C 1.737 177.223 175.510 -0.041 0.000 1.024 69 N CA 1.358 54.371 53.050 -0.062 0.000 0.852 69 N CB -0.178 38.273 38.487 -0.061 0.000 1.003 69 N HN 0.384 nan 8.380 nan 0.000 0.424 70 K N -0.561 119.806 120.400 -0.056 0.000 2.262 70 K HA 0.121 4.440 4.320 -0.001 0.000 0.200 70 K C 1.266 177.839 176.600 -0.044 0.000 1.049 70 K CA 0.849 57.114 56.287 -0.036 0.000 0.979 70 K CB 0.368 32.851 32.500 -0.028 0.000 0.773 70 K HN 0.143 nan 8.250 nan 0.000 0.474 71 T N 0.670 115.166 114.554 -0.097 0.000 3.151 71 T HA 0.166 4.516 4.350 -0.001 0.000 0.239 71 T C 1.927 176.512 174.700 -0.192 0.000 0.979 71 T CA 0.055 62.074 62.100 -0.135 0.000 1.194 71 T CB 0.038 68.794 68.868 -0.188 0.000 0.982 71 T HN -0.041 nan 8.240 nan 0.000 0.428 72 I N 2.096 122.473 120.570 -0.322 0.000 2.179 72 I HA -0.123 4.047 4.170 -0.001 0.000 0.242 72 I C 2.971 179.023 176.117 -0.110 0.000 1.088 72 I CA 1.181 62.332 61.300 -0.248 0.000 1.357 72 I CB -0.513 37.308 38.000 -0.299 0.000 1.051 72 I HN 0.213 nan 8.210 nan 0.000 0.409 73 A N 1.910 124.678 122.820 -0.085 0.000 1.859 73 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 73 A C 0.263 177.840 177.584 -0.012 0.000 1.198 73 A CA 2.184 54.204 52.037 -0.028 0.000 0.629 73 A CB -2.187 16.810 19.000 -0.005 0.000 0.830 73 A HN 0.301 nan 8.150 nan 0.000 0.446 74 P HA -0.163 nan 4.420 nan 0.000 0.216 74 P C 1.595 178.894 177.300 -0.003 0.000 1.150 74 P CA 2.045 65.142 63.100 -0.004 0.000 0.837 74 P CB -0.202 31.495 31.700 -0.005 0.000 0.786 75 A N 0.577 123.391 122.820 -0.010 0.000 1.858 75 A HA -0.140 4.180 4.320 -0.001 0.000 0.216 75 A C 2.498 180.085 177.584 0.004 0.000 1.190 75 A CA 1.559 53.596 52.037 0.000 0.000 0.617 75 A CB -1.576 17.425 19.000 0.001 0.000 0.827 75 A HN 0.121 nan 8.150 nan 0.000 0.443 76 L N -0.430 120.794 121.223 0.000 0.000 2.093 76 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 76 L C 2.459 179.337 176.870 0.014 0.000 1.085 76 L CA 0.921 55.766 54.840 0.008 0.000 0.755 76 L CB -0.638 41.424 42.059 0.006 0.000 0.904 76 L HN 0.241 nan 8.230 nan 0.000 0.435 77 V N -0.899 119.025 119.914 0.016 0.000 2.515 77 V HA -0.218 3.901 4.120 -0.001 0.000 0.250 77 V C 2.563 178.666 176.094 0.015 0.000 1.058 77 V CA 1.734 64.047 62.300 0.022 0.000 1.064 77 V CB -0.156 31.681 31.823 0.023 0.000 0.675 77 V HN 0.355 nan 8.190 nan 0.000 0.461 78 S N -0.086 115.620 115.700 0.011 0.000 2.345 78 S HA -0.149 4.321 4.470 -0.001 0.000 0.220 78 S C 1.962 176.568 174.600 0.010 0.000 1.031 78 S CA 1.076 59.282 58.200 0.009 0.000 0.996 78 S CB -0.272 62.933 63.200 0.009 0.000 0.882 78 S HN 0.490 nan 8.310 nan 0.000 0.445 79 K N 1.342 121.748 120.400 0.011 0.000 2.360 79 K HA 0.004 4.324 4.320 -0.001 0.000 0.201 79 K C 0.113 176.719 176.600 0.010 0.000 1.046 79 K CA 0.464 56.757 56.287 0.010 0.000 0.940 79 K CB -0.357 32.149 32.500 0.011 0.000 0.748 79 K HN 0.391 nan 8.250 nan 0.000 0.465 80 K N 0.757 121.164 120.400 0.011 0.000 3.419 80 K HA -0.169 4.150 4.320 -0.001 0.000 0.272 80 K C -0.638 175.967 176.600 0.009 0.000 0.973 80 K CA 0.148 56.442 56.287 0.011 0.000 0.749 80 K CB -1.752 30.754 32.500 0.009 0.000 1.403 80 K HN 0.142 nan 8.250 nan 0.000 0.456 81 L N 0.783 122.012 121.223 0.009 0.000 2.326 81 L HA 0.191 4.530 4.340 -0.001 0.000 0.278 81 L C 0.734 177.605 176.870 0.002 0.000 1.092 81 L CA -0.748 54.095 54.840 0.006 0.000 0.810 81 L CB 0.910 42.973 42.059 0.007 0.000 1.153 81 L HN 0.214 nan 8.230 nan 0.000 0.439 82 N N 0.662 119.361 118.700 -0.002 0.000 2.497 82 N HA 0.089 4.828 4.740 -0.001 0.000 0.271 82 N C 0.943 176.441 175.510 -0.020 0.000 1.142 82 N CA -0.410 52.634 53.050 -0.011 0.000 0.965 82 N CB 1.445 39.925 38.487 -0.011 0.000 1.077 82 N HN 0.436 nan 8.380 nan 0.000 0.462 83 V N 0.742 120.630 119.914 -0.043 0.000 2.867 83 V HA -0.180 3.939 4.120 -0.001 0.000 0.260 83 V C 1.794 177.858 176.094 -0.051 0.000 1.099 83 V CA 2.016 64.276 62.300 -0.066 0.000 1.122 83 V CB -1.706 30.033 31.823 -0.140 0.000 0.708 83 V HN 0.863 nan 8.190 nan 0.000 0.490 84 T N -1.474 113.055 114.554 -0.042 0.000 3.085 84 T HA 0.012 4.362 4.350 -0.001 0.000 0.263 84 T C 0.934 175.670 174.700 0.060 0.000 1.127 84 T CA 0.757 62.865 62.100 0.013 0.000 1.103 84 T CB -0.604 68.263 68.868 -0.002 0.000 0.921 84 T HN 0.700 nan 8.240 nan 0.000 0.510 85 E N 1.458 121.674 120.200 0.025 0.000 2.261 85 E HA 0.147 4.497 4.350 -0.001 0.000 0.308 85 E C 1.075 177.688 176.600 0.022 0.000 1.400 85 E CA -0.398 56.015 56.400 0.022 0.000 1.542 85 E CB 0.432 30.138 29.700 0.009 0.000 1.369 85 E HN 0.353 nan 8.360 nan 0.000 0.493 86 Q N 1.631 121.453 119.800 0.036 0.000 2.077 86 Q HA -0.279 4.060 4.340 -0.001 0.000 0.206 86 Q C 1.849 177.854 176.000 0.009 0.000 0.989 86 Q CA 1.988 57.808 55.803 0.028 0.000 0.853 86 Q CB 0.083 28.838 28.738 0.027 0.000 0.907 86 Q HN 0.518 nan 8.270 nan 0.000 0.418 87 E N -0.464 119.737 120.200 0.002 0.000 2.077 87 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 87 E C 1.776 178.376 176.600 -0.000 0.000 0.989 87 E CA 1.181 57.579 56.400 -0.003 0.000 0.800 87 E CB 0.008 29.703 29.700 -0.009 0.000 0.746 87 E HN 0.284 nan 8.360 nan 0.000 0.452 88 K N 0.139 120.540 120.400 0.002 0.000 2.057 88 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 88 K C 2.210 178.814 176.600 0.007 0.000 1.049 88 K CA 1.505 57.794 56.287 0.003 0.000 0.931 88 K CB -0.144 32.358 32.500 0.004 0.000 0.714 88 K HN 0.246 nan 8.250 nan 0.000 0.440 89 I N 1.262 121.837 120.570 0.008 0.000 2.202 89 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 89 I C 1.821 177.944 176.117 0.011 0.000 1.091 89 I CA 1.142 62.447 61.300 0.009 0.000 1.368 89 I CB -0.262 37.742 38.000 0.006 0.000 1.058 89 I HN 0.128 nan 8.210 nan 0.000 0.410 90 D N 1.158 121.562 120.400 0.007 0.000 2.097 90 D HA -0.165 4.475 4.640 -0.001 0.000 0.195 90 D C 2.174 178.481 176.300 0.011 0.000 0.989 90 D CA 1.238 55.242 54.000 0.007 0.000 0.827 90 D CB -0.183 40.617 40.800 -0.000 0.000 0.966 90 D HN 0.283 nan 8.370 nan 0.000 0.456 91 K N 0.452 120.855 120.400 0.006 0.000 2.103 91 K HA -0.096 4.224 4.320 -0.001 0.000 0.207 91 K C 2.270 178.878 176.600 0.013 0.000 1.048 91 K CA 0.360 56.650 56.287 0.005 0.000 0.930 91 K CB -0.199 32.301 32.500 -0.000 0.000 0.716 91 K HN 0.157 nan 8.250 nan 0.000 0.444 92 L N 0.818 122.052 121.223 0.019 0.000 2.012 92 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 92 L C 2.394 179.297 176.870 0.055 0.000 1.073 92 L CA 1.447 56.306 54.840 0.030 0.000 0.748 92 L CB -0.143 41.933 42.059 0.028 0.000 0.891 92 L HN 0.331 nan 8.230 nan 0.000 0.431 93 M N -0.844 118.794 119.600 0.064 0.000 2.159 93 M HA -0.242 4.238 4.480 -0.001 0.000 0.263 93 M C 2.167 178.533 176.300 0.108 0.000 1.063 93 M CA 1.665 57.036 55.300 0.118 0.000 1.110 93 M CB -0.313 32.344 32.600 0.095 0.000 1.374 93 M HN 0.261 nan 8.290 nan 0.000 0.411 94 I N 0.015 120.612 120.570 0.044 0.000 2.315 94 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 94 I C 2.138 178.242 176.117 -0.020 0.000 1.117 94 I CA 1.300 62.603 61.300 0.004 0.000 1.404 94 I CB -0.290 37.707 38.000 -0.006 0.000 1.071 94 I HN 0.346 nan 8.210 nan 0.000 0.419 95 E N 0.531 120.731 120.200 -0.000 0.000 2.046 95 E HA -0.190 4.159 4.350 -0.001 0.000 0.190 95 E C 2.321 178.911 176.600 -0.017 0.000 0.982 95 E CA 1.201 57.595 56.400 -0.011 0.000 0.800 95 E CB -0.083 29.619 29.700 0.004 0.000 0.756 95 E HN 0.414 nan 8.360 nan 0.000 0.449 96 M N 0.718 120.344 119.600 0.043 0.000 2.108 96 M HA -0.213 4.266 4.480 -0.001 0.000 0.261 96 M C 2.014 178.230 176.300 -0.141 0.000 1.066 96 M CA 1.646 57.002 55.300 0.093 0.000 1.107 96 M CB -0.247 32.544 32.600 0.319 0.000 1.356 96 M HN 0.061 nan 8.290 nan 0.000 0.406 97 D N -0.559 119.652 120.400 -0.315 0.000 2.097 97 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 97 D C 1.504 177.559 176.300 -0.409 0.000 0.984 97 D CA 2.099 55.648 54.000 -0.752 0.000 0.826 97 D CB -0.109 40.385 40.800 -0.510 0.000 0.973 97 D HN 0.455 nan 8.370 nan 0.000 0.460 98 G N -0.323 108.346 108.800 -0.219 0.000 2.196 98 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.268 98 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.268 98 G C 0.536 175.359 174.900 -0.128 0.000 0.975 98 G CA 1.283 46.297 45.100 -0.143 0.000 0.648 98 G HN 0.763 nan 8.290 nan 0.000 0.538 99 T N -3.100 111.364 114.554 -0.150 0.000 2.952 99 T HA 0.695 5.044 4.350 -0.001 0.000 0.286 99 T C 0.927 175.579 174.700 -0.080 0.000 1.024 99 T CA 0.392 62.426 62.100 -0.110 0.000 1.029 99 T CB 2.274 71.068 68.868 -0.124 0.000 1.094 99 T HN 0.096 nan 8.240 nan 0.000 0.515 100 E N 1.088 121.256 120.200 -0.054 0.000 2.106 100 E HA -0.090 4.259 4.350 -0.001 0.000 0.192 100 E C 0.904 177.487 176.600 -0.027 0.000 0.984 100 E CA 1.605 57.984 56.400 -0.034 0.000 0.806 100 E CB -0.338 29.351 29.700 -0.019 0.000 0.750 100 E HN 0.773 nan 8.360 nan 0.000 0.458 101 N N -0.091 118.590 118.700 -0.030 0.000 2.328 101 N HA 0.189 4.929 4.740 -0.001 0.000 0.247 101 N C -1.063 174.425 175.510 -0.036 0.000 1.165 101 N CA -0.086 52.952 53.050 -0.020 0.000 0.873 101 N CB 0.519 39.004 38.487 -0.002 0.000 1.125 101 N HN 0.005 nan 8.380 nan 0.000 0.513 102 K N -0.204 120.157 120.400 -0.065 0.000 3.148 102 K HA -0.184 4.136 4.320 -0.001 0.000 0.267 102 K C 0.334 176.879 176.600 -0.092 0.000 0.996 102 K CA 0.711 56.945 56.287 -0.088 0.000 0.737 102 K CB -1.886 30.590 32.500 -0.040 0.000 1.308 102 K HN 0.429 nan 8.250 nan 0.000 0.470 103 S N -1.049 114.587 115.700 -0.107 0.000 2.593 103 S HA -0.035 4.434 4.470 -0.001 0.000 0.217 103 S C 1.571 176.092 174.600 -0.131 0.000 0.966 103 S CA 0.520 58.668 58.200 -0.087 0.000 0.914 103 S CB 0.397 63.560 63.200 -0.061 0.000 0.776 103 S HN 0.488 nan 8.310 nan 0.000 0.523 104 K N 1.086 121.331 120.400 -0.257 0.000 2.063 104 K HA 0.220 4.540 4.320 -0.001 0.000 0.204 104 K C 1.296 177.631 176.600 -0.442 0.000 1.039 104 K CA 0.962 57.025 56.287 -0.374 0.000 0.957 104 K CB -0.186 31.954 32.500 -0.600 0.000 0.764 104 K HN 0.451 nan 8.250 nan 0.000 0.447 105 F N 0.399 120.122 119.950 -0.379 0.000 2.619 105 F HA 0.261 4.787 4.527 -0.001 0.000 0.293 105 F C 0.876 176.585 175.800 -0.152 0.000 1.119 105 F CA -0.078 57.630 58.000 -0.488 0.000 1.445 105 F CB 0.834 39.691 39.000 -0.239 0.000 1.119 105 F HN 0.291 nan 8.300 nan 0.000 0.573 106 G N 0.476 109.307 108.800 0.052 0.000 2.788 106 G HA2 0.031 3.991 3.960 -0.001 0.000 0.686 106 G HA3 0.031 3.991 3.960 -0.001 0.000 0.686 106 G C 0.349 175.280 174.900 0.052 0.000 1.147 106 G CA -0.638 44.494 45.100 0.054 0.000 0.755 106 G HN 0.293 nan 8.290 nan 0.000 0.634 107 A N 1.577 124.410 122.820 0.022 0.000 1.969 107 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 107 A C 2.295 179.885 177.584 0.010 0.000 1.169 107 A CA 2.187 54.233 52.037 0.014 0.000 0.635 107 A CB -0.428 18.574 19.000 0.003 0.000 0.810 107 A HN 1.584 nan 8.150 nan 0.000 0.445 108 N N 0.955 119.660 118.700 0.010 0.000 2.309 108 N HA -0.007 4.732 4.740 -0.001 0.000 0.182 108 N C 1.507 177.014 175.510 -0.005 0.000 1.018 108 N CA 1.577 54.623 53.050 -0.008 0.000 0.876 108 N CB -0.673 37.805 38.487 -0.016 0.000 0.972 108 N HN 0.374 nan 8.380 nan 0.000 0.434 109 A N 1.350 124.188 122.820 0.029 0.000 1.874 109 A HA 0.158 4.478 4.320 -0.001 0.000 0.214 109 A C 2.384 179.974 177.584 0.010 0.000 1.189 109 A CA 0.573 52.626 52.037 0.026 0.000 0.615 109 A CB -0.559 18.492 19.000 0.085 0.000 0.830 109 A HN 0.215 nan 8.150 nan 0.000 0.443 110 I N -0.666 119.932 120.570 0.046 0.000 2.179 110 I HA -0.216 3.954 4.170 -0.001 0.000 0.242 110 I C 2.435 178.544 176.117 -0.012 0.000 1.088 110 I CA 1.162 62.485 61.300 0.038 0.000 1.357 110 I CB -0.266 37.778 38.000 0.074 0.000 1.051 110 I HN 0.371 nan 8.210 nan 0.000 0.409 111 L N 1.319 122.524 121.223 -0.029 0.000 2.042 111 L HA -0.108 4.232 4.340 -0.001 0.000 0.210 111 L C 2.358 179.167 176.870 -0.102 0.000 1.076 111 L CA 2.231 57.027 54.840 -0.073 0.000 0.749 111 L CB -1.301 40.713 42.059 -0.075 0.000 0.893 111 L HN 0.210 nan 8.230 nan 0.000 0.432 112 G N -0.996 107.756 108.800 -0.079 0.000 2.476 112 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 112 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 112 G C 1.526 176.378 174.900 -0.080 0.000 1.164 112 G CA 1.331 46.380 45.100 -0.085 0.000 0.768 112 G HN 0.356 nan 8.290 nan 0.000 0.560 113 V N 0.495 120.373 119.914 -0.061 0.000 2.358 113 V HA -0.153 3.967 4.120 -0.001 0.000 0.246 113 V C 2.988 179.050 176.094 -0.053 0.000 1.047 113 V CA 2.120 64.392 62.300 -0.046 0.000 1.035 113 V CB -0.425 31.377 31.823 -0.036 0.000 0.658 113 V HN 0.473 nan 8.190 nan 0.000 0.452 114 S N -0.286 115.376 115.700 -0.065 0.000 2.374 114 S HA -0.189 4.281 4.470 -0.001 0.000 0.227 114 S C 1.937 176.467 174.600 -0.116 0.000 1.037 114 S CA 1.840 59.997 58.200 -0.072 0.000 1.024 114 S CB -0.335 62.819 63.200 -0.076 0.000 0.861 114 S HN 0.501 nan 8.310 nan 0.000 0.456 115 L N 0.755 121.853 121.223 -0.207 0.000 2.056 115 L HA -0.054 4.285 4.340 -0.001 0.000 0.207 115 L C 2.918 179.719 176.870 -0.115 0.000 1.078 115 L CA 1.234 55.867 54.840 -0.345 0.000 0.749 115 L CB -0.687 41.087 42.059 -0.474 0.000 0.901 115 L HN 0.402 nan 8.230 nan 0.000 0.433 116 A N -0.450 122.332 122.820 -0.062 0.000 1.930 116 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 116 A C 2.335 179.915 177.584 -0.008 0.000 1.175 116 A CA 1.504 53.546 52.037 0.008 0.000 0.627 116 A CB -0.721 18.284 19.000 0.009 0.000 0.815 116 A HN 0.188 nan 8.150 nan 0.000 0.443 117 V N -1.142 118.755 119.914 -0.027 0.000 2.295 117 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 117 V C 2.666 178.737 176.094 -0.039 0.000 1.049 117 V CA 1.960 64.234 62.300 -0.044 0.000 1.024 117 V CB -0.997 30.814 31.823 -0.019 0.000 0.648 117 V HN 0.783 nan 8.190 nan 0.000 0.447 118 C N 0.162 119.490 119.300 0.047 0.000 2.429 118 C HA -0.170 4.289 4.460 -0.001 0.000 0.277 118 C C 2.840 177.905 174.990 0.125 0.000 1.262 118 C CA 1.392 60.517 59.018 0.178 0.000 1.733 118 C CB -1.023 26.904 27.740 0.312 0.000 2.010 118 C HN 0.556 nan 8.230 nan 0.000 0.483 119 K N 0.578 121.030 120.400 0.086 0.000 2.057 119 K HA -0.071 4.248 4.320 -0.001 0.000 0.206 119 K C 2.279 178.667 176.600 -0.354 0.000 1.050 119 K CA 1.526 57.828 56.287 0.024 0.000 0.935 119 K CB -0.345 32.262 32.500 0.178 0.000 0.715 119 K HN 0.552 nan 8.250 nan 0.000 0.439 120 A N 1.376 123.775 122.820 -0.701 0.000 1.898 120 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 120 A C 2.443 179.568 177.584 -0.765 0.000 1.181 120 A CA 1.819 52.972 52.037 -1.472 0.000 0.620 120 A CB -1.211 17.133 19.000 -1.093 0.000 0.819 120 A HN 0.415 nan 8.150 nan 0.000 0.442 121 G N -0.288 108.222 108.800 -0.482 0.000 2.469 121 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.219 121 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.219 121 G C 1.747 176.170 174.900 -0.796 0.000 1.150 121 G CA 1.672 46.472 45.100 -0.500 0.000 0.763 121 G HN 0.807 nan 8.290 nan 0.000 0.561 122 A N 0.011 122.328 122.820 -0.838 0.000 1.877 122 A HA 0.075 4.395 4.320 -0.001 0.000 0.216 122 A C 2.606 179.994 177.584 -0.327 0.000 1.186 122 A CA 1.867 53.540 52.037 -0.605 0.000 0.620 122 A CB -0.747 18.093 19.000 -0.268 0.000 0.822 122 A HN 0.277 nan 8.150 nan 0.000 0.443 123 V N 0.151 119.910 119.914 -0.257 0.000 2.490 123 V HA -0.240 3.880 4.120 -0.001 0.000 0.250 123 V C 2.561 178.588 176.094 -0.112 0.000 1.061 123 V CA 2.409 64.648 62.300 -0.101 0.000 1.064 123 V CB -0.672 31.218 31.823 0.111 0.000 0.670 123 V HN 0.769 nan 8.190 nan 0.000 0.461 124 E N 0.689 120.766 120.200 -0.205 0.000 2.153 124 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 124 E C 2.008 178.535 176.600 -0.121 0.000 0.988 124 E CA 1.450 57.762 56.400 -0.146 0.000 0.811 124 E CB -0.147 29.439 29.700 -0.190 0.000 0.746 124 E HN 0.529 nan 8.360 nan 0.000 0.466 125 K N -1.193 119.108 120.400 -0.166 0.000 2.444 125 K HA 0.170 4.490 4.320 -0.001 0.000 0.193 125 K C 0.758 177.308 176.600 -0.083 0.000 1.024 125 K CA 0.457 56.675 56.287 -0.115 0.000 1.077 125 K CB 0.417 32.839 32.500 -0.130 0.000 0.833 125 K HN 0.269 nan 8.250 nan 0.000 0.517 126 G N 1.315 110.065 108.800 -0.082 0.000 2.198 126 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.260 126 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.260 126 G C -0.221 174.638 174.900 -0.069 0.000 1.025 126 G CA 0.242 45.309 45.100 -0.056 0.000 0.769 126 G HN 0.201 nan 8.290 nan 0.000 0.507 127 V N 0.179 120.032 119.914 -0.102 0.000 2.823 127 V HA 0.708 4.827 4.120 -0.001 0.000 0.312 127 V C -1.985 173.996 176.094 -0.189 0.000 1.072 127 V CA -1.982 60.242 62.300 -0.126 0.000 0.937 127 V CB 2.332 34.095 31.823 -0.099 0.000 1.013 127 V HN 0.085 nan 8.190 nan 0.000 0.430 128 P HA 0.085 nan 4.420 nan 0.000 0.269 128 P C 0.554 177.585 177.300 -0.448 0.000 1.215 128 P CA -0.123 62.706 63.100 -0.450 0.000 0.780 128 P CB 0.562 31.736 31.700 -0.876 0.000 0.898 129 L N 3.543 124.585 121.223 -0.302 0.000 2.079 129 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 129 L C 2.075 178.845 176.870 -0.167 0.000 1.081 129 L CA 1.916 56.659 54.840 -0.162 0.000 0.752 129 L CB -1.538 40.462 42.059 -0.098 0.000 0.896 129 L HN 0.478 nan 8.230 nan 0.000 0.433 130 Y N -1.316 118.936 120.300 -0.080 0.000 2.274 130 Y HA -0.128 4.422 4.550 -0.001 0.000 0.290 130 Y C 2.560 178.425 175.900 -0.058 0.000 1.145 130 Y CA 1.286 59.325 58.100 -0.102 0.000 1.203 130 Y CB -1.119 37.279 38.460 -0.104 0.000 0.984 130 Y HN 0.141 nan 8.280 nan 0.000 0.533 131 R N 0.134 120.492 120.500 -0.236 0.000 2.090 131 R HA -0.134 4.205 4.340 -0.001 0.000 0.228 131 R C 2.111 178.407 176.300 -0.008 0.000 1.110 131 R CA 1.799 57.861 56.100 -0.064 0.000 0.973 131 R CB -1.186 29.003 30.300 -0.185 0.000 0.869 131 R HN 0.574 nan 8.270 nan 0.000 0.440 132 H N 0.029 119.017 119.070 -0.136 0.000 2.357 132 H HA 0.023 4.579 4.556 -0.001 0.000 0.301 132 H C 1.607 176.902 175.328 -0.055 0.000 1.082 132 H CA 1.951 57.945 56.048 -0.090 0.000 1.342 132 H CB -0.024 29.676 29.762 -0.103 0.000 1.389 132 H HN 0.126 nan 8.280 nan 0.000 0.511 133 I N 0.683 121.176 120.570 -0.128 0.000 2.226 133 I HA -0.195 3.975 4.170 -0.001 0.000 0.245 133 I C 2.640 178.690 176.117 -0.112 0.000 1.100 133 I CA 1.312 62.513 61.300 -0.164 0.000 1.374 133 I CB -1.662 36.268 38.000 -0.117 0.000 1.057 133 I HN 0.414 nan 8.210 nan 0.000 0.413 134 A N 0.721 123.514 122.820 -0.045 0.000 1.908 134 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 134 A C 1.986 179.546 177.584 -0.040 0.000 1.181 134 A CA 2.004 54.029 52.037 -0.020 0.000 0.627 134 A CB -0.591 18.427 19.000 0.030 0.000 0.818 134 A HN 0.382 nan 8.150 nan 0.000 0.445 135 D N 0.193 120.563 120.400 -0.051 0.000 2.084 135 D HA -0.123 4.517 4.640 -0.001 0.000 0.194 135 D C 1.973 178.223 176.300 -0.083 0.000 0.990 135 D CA 1.156 55.128 54.000 -0.047 0.000 0.826 135 D CB -0.513 40.277 40.800 -0.016 0.000 0.971 135 D HN 0.440 nan 8.370 nan 0.000 0.453 136 L N 0.586 121.710 121.223 -0.165 0.000 2.127 136 L HA -0.158 4.181 4.340 -0.001 0.000 0.211 136 L C 2.245 179.059 176.870 -0.093 0.000 1.089 136 L CA 1.169 55.913 54.840 -0.161 0.000 0.757 136 L CB -0.324 41.580 42.059 -0.259 0.000 0.899 136 L HN -0.008 nan 8.230 nan 0.000 0.434 137 A N -0.848 121.924 122.820 -0.079 0.000 2.218 137 A HA 0.315 4.635 4.320 -0.001 0.000 0.209 137 A C 1.644 179.205 177.584 -0.039 0.000 1.168 137 A CA 0.659 52.665 52.037 -0.051 0.000 0.804 137 A CB -0.185 18.789 19.000 -0.043 0.000 0.834 137 A HN 0.497 nan 8.150 nan 0.000 0.482 138 G N -0.307 108.470 108.800 -0.038 0.000 2.160 138 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.244 138 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.244 138 G C -0.262 174.626 174.900 -0.020 0.000 1.022 138 G CA 0.190 45.274 45.100 -0.027 0.000 0.741 138 G HN 0.646 nan 8.290 nan 0.000 0.508 139 N N -0.060 118.630 118.700 -0.018 0.000 2.430 139 N HA 0.509 5.249 4.740 -0.001 0.000 0.292 139 N C 1.178 176.687 175.510 -0.002 0.000 1.051 139 N CA -0.063 52.981 53.050 -0.010 0.000 0.917 139 N CB 1.207 39.688 38.487 -0.010 0.000 1.164 139 N HN 0.247 nan 8.380 nan 0.000 0.484 140 S N 0.370 116.071 115.700 0.000 0.000 2.556 140 S HA 0.173 4.643 4.470 -0.001 0.000 0.216 140 S C 0.336 174.944 174.600 0.013 0.000 0.970 140 S CA -0.013 58.191 58.200 0.007 0.000 0.912 140 S CB 0.233 63.435 63.200 0.003 0.000 0.790 140 S HN 0.569 nan 8.310 nan 0.000 0.504 141 E N -0.278 119.928 120.200 0.010 0.000 2.410 141 E HA 0.730 5.080 4.350 -0.001 0.000 0.269 141 E C -1.825 174.782 176.600 0.011 0.000 0.937 141 E CA -0.935 55.472 56.400 0.012 0.000 0.793 141 E CB 2.574 32.275 29.700 0.003 0.000 1.314 141 E HN 0.030 nan 8.360 nan 0.000 0.447 142 V N 1.819 121.734 119.914 0.002 0.000 2.888 142 V HA 0.543 4.663 4.120 -0.001 0.000 0.309 142 V C -1.514 174.549 176.094 -0.051 0.000 1.114 142 V CA -0.596 61.691 62.300 -0.022 0.000 0.940 142 V CB 1.995 33.814 31.823 -0.007 0.000 1.021 142 V HN 0.563 nan 8.190 nan 0.000 0.426 143 I N 3.583 124.112 120.570 -0.068 0.000 2.827 143 I HA 0.591 4.760 4.170 -0.001 0.000 0.298 143 I C -1.542 174.536 176.117 -0.065 0.000 1.235 143 I CA -0.628 60.641 61.300 -0.053 0.000 1.021 143 I CB 1.852 39.831 38.000 -0.034 0.000 1.259 143 I HN 0.316 nan 8.210 nan 0.000 0.427 144 L N 6.232 127.450 121.223 -0.007 0.000 2.367 144 L HA 0.481 4.820 4.340 -0.001 0.000 0.275 144 L C -2.069 174.850 176.870 0.081 0.000 1.129 144 L CA -1.110 53.752 54.840 0.037 0.000 0.839 144 L CB 0.321 42.512 42.059 0.219 0.000 1.133 144 L HN 0.606 nan 8.230 nan 0.000 0.453 145 P HA 0.176 nan 4.420 nan 0.000 0.278 145 P C -0.589 176.826 177.300 0.192 0.000 1.258 145 P CA -0.512 62.614 63.100 0.044 0.000 0.811 145 P CB 1.581 33.297 31.700 0.026 0.000 1.063 146 V N 3.541 123.457 119.914 0.003 0.000 2.530 146 V HA 0.230 4.350 4.120 -0.001 0.000 0.282 146 V C -1.670 174.446 176.094 0.038 0.000 1.048 146 V CA -1.499 60.831 62.300 0.050 0.000 0.997 146 V CB 0.750 32.478 31.823 -0.160 0.000 0.987 146 V HN 0.619 nan 8.190 nan 0.000 0.477 147 P HA 0.432 nan 4.420 nan 0.000 0.286 147 P C -1.185 175.807 177.300 -0.513 0.000 1.261 147 P CA -0.650 62.276 63.100 -0.289 0.000 0.821 147 P CB 1.724 33.074 31.700 -0.584 0.000 1.013 148 A N 3.790 126.354 122.820 -0.426 0.000 2.328 148 A HA 0.571 4.890 4.320 -0.001 0.000 0.318 148 A C -0.754 176.682 177.584 -0.247 0.000 1.347 148 A CA -0.603 51.267 52.037 -0.277 0.000 0.842 148 A CB -0.461 18.457 19.000 -0.137 0.000 1.148 148 A HN 0.343 nan 8.150 nan 0.000 0.499 149 F N 1.679 121.618 119.950 -0.019 0.000 2.424 149 F HA 0.230 4.756 4.527 -0.001 0.000 0.356 149 F C 1.100 176.918 175.800 0.030 0.000 1.110 149 F CA -0.274 57.715 58.000 -0.017 0.000 1.161 149 F CB 0.957 39.883 39.000 -0.124 0.000 1.115 149 F HN 0.682 nan 8.300 nan 0.000 0.507 150 N N 3.456 122.299 118.700 0.238 0.000 2.605 150 N HA 0.147 4.887 4.740 -0.001 0.000 0.258 150 N C 0.894 176.526 175.510 0.203 0.000 1.156 150 N CA -0.308 52.871 53.050 0.215 0.000 1.008 150 N CB 0.573 39.200 38.487 0.233 0.000 1.354 150 N HN 0.621 nan 8.380 nan 0.000 0.509 151 V N 1.294 121.337 119.914 0.215 0.000 3.406 151 V HA 0.291 4.411 4.120 -0.001 0.000 0.263 151 V C 0.612 176.822 176.094 0.193 0.000 1.172 151 V CA 0.533 62.963 62.300 0.218 0.000 1.140 151 V CB -0.332 31.656 31.823 0.274 0.000 0.784 151 V HN 0.427 nan 8.190 nan 0.000 0.467 152 I N 1.608 122.294 120.570 0.194 0.000 2.478 152 I HA 0.412 4.581 4.170 -0.001 0.000 0.287 152 I C -0.796 175.438 176.117 0.194 0.000 1.042 152 I CA -0.324 61.049 61.300 0.121 0.000 1.067 152 I CB 1.835 39.785 38.000 -0.083 0.000 1.233 152 I HN 0.210 nan 8.210 nan 0.000 0.431 153 N N 3.830 122.621 118.700 0.152 0.000 2.456 153 N HA 0.692 5.432 4.740 -0.001 0.000 0.288 153 N C -0.102 175.507 175.510 0.165 0.000 1.059 153 N CA -0.441 52.727 53.050 0.197 0.000 0.946 153 N CB 2.394 40.990 38.487 0.182 0.000 1.150 153 N HN 0.729 nan 8.380 nan 0.000 0.479 154 G N -0.189 108.736 108.800 0.208 0.000 3.058 154 G HA2 0.674 4.634 3.960 -0.001 0.000 0.282 154 G HA3 0.674 4.634 3.960 -0.001 0.000 0.282 154 G C 0.159 175.150 174.900 0.151 0.000 1.248 154 G CA -0.124 45.081 45.100 0.175 0.000 0.822 154 G HN 0.772 nan 8.290 nan 0.000 0.579 155 G N -0.242 108.677 108.800 0.199 0.000 2.602 155 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.306 155 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.306 155 G C 1.354 176.391 174.900 0.229 0.000 1.301 155 G CA 0.981 46.269 45.100 0.313 0.000 0.974 155 G HN 1.530 nan 8.290 nan 0.000 0.547 156 S N 0.242 116.080 115.700 0.229 0.000 2.603 156 S HA 0.068 4.538 4.470 -0.001 0.000 0.229 156 S C 1.345 176.122 174.600 0.294 0.000 0.972 156 S CA 1.329 59.670 58.200 0.235 0.000 0.935 156 S CB -0.270 63.076 63.200 0.243 0.000 0.769 156 S HN 0.603 nan 8.310 nan 0.000 0.536 157 H N 0.120 119.262 119.070 0.119 0.000 2.586 157 H HA 0.522 5.078 4.556 -0.001 0.000 0.273 157 H C 0.570 175.940 175.328 0.071 0.000 0.997 157 H CA -0.104 55.993 56.048 0.082 0.000 1.177 157 H CB 0.476 30.286 29.762 0.080 0.000 1.471 157 H HN 0.331 nan 8.280 nan 0.000 0.538 158 A N 0.460 123.387 122.820 0.179 0.000 2.539 158 A HA 0.552 4.872 4.320 -0.001 0.000 0.296 158 A C 0.082 177.699 177.584 0.055 0.000 1.073 158 A CA -0.432 51.670 52.037 0.108 0.000 0.700 158 A CB 1.159 20.221 19.000 0.103 0.000 1.296 158 A HN 0.227 nan 8.150 nan 0.000 0.405 159 G N 1.618 110.440 108.800 0.037 0.000 2.915 159 G HA2 0.467 4.426 3.960 -0.001 0.000 0.298 159 G HA3 0.467 4.426 3.960 -0.001 0.000 0.298 159 G C -0.339 174.554 174.900 -0.012 0.000 0.837 159 G CA 0.100 45.206 45.100 0.011 0.000 1.752 159 G HN 1.134 nan 8.290 nan 0.000 0.526 160 N N -0.720 117.959 118.700 -0.034 0.000 3.339 160 N HA 0.192 4.931 4.740 -0.001 0.000 0.275 160 N C 0.431 175.889 175.510 -0.087 0.000 1.514 160 N CA -1.003 52.013 53.050 -0.057 0.000 0.879 160 N CB 0.920 39.370 38.487 -0.061 0.000 1.557 160 N HN -0.006 nan 8.380 nan 0.000 0.524 161 K N -0.880 119.466 120.400 -0.090 0.000 2.137 161 K HA 0.186 4.506 4.320 -0.001 0.000 0.202 161 K C 0.158 176.699 176.600 -0.098 0.000 1.052 161 K CA -0.099 56.122 56.287 -0.110 0.000 0.961 161 K CB -0.197 32.256 32.500 -0.078 0.000 0.741 161 K HN 0.346 nan 8.250 nan 0.000 0.452 162 L N 1.836 123.024 121.223 -0.059 0.000 2.877 162 L HA -0.211 4.129 4.340 -0.001 0.000 0.287 162 L C 1.000 177.911 176.870 0.068 0.000 1.112 162 L CA 0.250 55.090 54.840 0.001 0.000 0.986 162 L CB 0.153 42.201 42.059 -0.019 0.000 1.384 162 L HN 0.154 nan 8.230 nan 0.000 0.460 163 A N 5.879 128.757 122.820 0.097 0.000 1.897 163 A HA 0.004 4.324 4.320 -0.001 0.000 0.215 163 A C 1.270 179.069 177.584 0.360 0.000 1.181 163 A CA 0.706 52.889 52.037 0.242 0.000 0.620 163 A CB -0.223 18.790 19.000 0.021 0.000 0.821 163 A HN 0.708 nan 8.150 nan 0.000 0.443 164 M N 0.432 120.198 119.600 0.275 0.000 2.238 164 M HA 0.024 4.504 4.480 -0.001 0.000 0.350 164 M C 1.254 177.704 176.300 0.249 0.000 1.321 164 M CA 0.010 55.468 55.300 0.264 0.000 1.097 164 M CB 0.947 33.624 32.600 0.128 0.000 1.713 164 M HN 0.544 nan 8.290 nan 0.000 0.455 165 Q N 2.675 122.549 119.800 0.124 0.000 2.020 165 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 165 Q C -0.492 175.551 176.000 0.071 0.000 0.982 165 Q CA 1.396 57.214 55.803 0.024 0.000 0.838 165 Q CB 0.467 29.117 28.738 -0.147 0.000 0.899 165 Q HN 0.705 nan 8.270 nan 0.000 0.423 166 E N -0.865 119.324 120.200 -0.018 0.000 2.314 166 E HA 0.371 4.720 4.350 -0.001 0.000 0.272 166 E C -1.495 175.006 176.600 -0.165 0.000 0.884 166 E CA -0.576 55.865 56.400 0.068 0.000 0.753 166 E CB 1.409 31.167 29.700 0.096 0.000 1.213 166 E HN -0.015 nan 8.360 nan 0.000 0.432 167 F N 1.975 121.943 119.950 0.031 0.000 2.403 167 F HA 0.430 4.956 4.527 -0.001 0.000 0.355 167 F C -0.071 175.747 175.800 0.030 0.000 1.119 167 F CA -0.540 57.459 58.000 -0.002 0.000 1.007 167 F CB 1.145 40.126 39.000 -0.032 0.000 1.194 167 F HN 0.236 nan 8.300 nan 0.000 0.443 168 M N 4.987 124.645 119.600 0.097 0.000 2.508 168 M HA 0.646 5.126 4.480 -0.001 0.000 0.327 168 M C -0.605 175.743 176.300 0.081 0.000 1.160 168 M CA -0.870 54.489 55.300 0.098 0.000 0.980 168 M CB 2.575 35.200 32.600 0.042 0.000 1.693 168 M HN 0.472 nan 8.290 nan 0.000 0.452 169 I N 0.417 121.058 120.570 0.118 0.000 2.433 169 I HA 0.651 4.821 4.170 -0.001 0.000 0.292 169 I C -1.592 174.577 176.117 0.087 0.000 1.001 169 I CA -1.051 60.309 61.300 0.099 0.000 1.119 169 I CB 1.353 39.426 38.000 0.123 0.000 1.289 169 I HN 0.422 nan 8.210 nan 0.000 0.438 170 L N 7.313 128.529 121.223 -0.011 0.000 2.342 170 L HA 0.512 4.852 4.340 -0.001 0.000 0.276 170 L C -2.369 174.455 176.870 -0.076 0.000 0.997 170 L CA -1.373 53.407 54.840 -0.100 0.000 0.838 170 L CB 1.513 43.410 42.059 -0.271 0.000 1.224 170 L HN 0.430 nan 8.230 nan 0.000 0.416 171 P HA 0.049 nan 4.420 nan 0.000 0.230 171 P C 1.222 178.546 177.300 0.041 0.000 1.791 171 P CA -0.142 62.952 63.100 -0.011 0.000 1.020 171 P CB 0.129 31.806 31.700 -0.038 0.000 1.977 172 V N -0.904 118.992 119.914 -0.031 0.000 2.759 172 V HA -0.044 4.076 4.120 -0.001 0.000 0.256 172 V C 1.889 178.054 176.094 0.119 0.000 1.080 172 V CA 2.065 64.361 62.300 -0.007 0.000 1.101 172 V CB -1.556 30.203 31.823 -0.106 0.000 0.698 172 V HN 0.318 nan 8.190 nan 0.000 0.477 173 G N -0.170 108.688 108.800 0.096 0.000 2.920 173 G HA2 0.417 4.376 3.960 -0.001 0.000 0.208 173 G HA3 0.417 4.376 3.960 -0.001 0.000 0.208 173 G C 0.712 175.679 174.900 0.111 0.000 1.159 173 G CA 0.393 45.558 45.100 0.108 0.000 0.784 173 G HN 0.936 nan 8.290 nan 0.000 0.535 174 A N -0.161 122.730 122.820 0.118 0.000 2.406 174 A HA 0.631 4.950 4.320 -0.001 0.000 0.243 174 A C 1.739 179.335 177.584 0.019 0.000 1.082 174 A CA 0.472 52.498 52.037 -0.019 0.000 0.786 174 A CB 0.643 19.518 19.000 -0.208 0.000 1.029 174 A HN 0.665 nan 8.150 nan 0.000 0.495 175 A N 1.335 124.095 122.820 -0.100 0.000 2.021 175 A HA 0.159 4.478 4.320 -0.001 0.000 0.216 175 A C 0.813 178.306 177.584 -0.152 0.000 1.163 175 A CA 1.144 53.156 52.037 -0.041 0.000 0.676 175 A CB -0.493 18.486 19.000 -0.035 0.000 0.818 175 A HN 1.016 nan 8.150 nan 0.000 0.453 176 N N -4.421 113.961 118.700 -0.531 0.000 3.106 176 N HA 0.238 4.977 4.740 -0.001 0.000 0.253 176 N C 0.228 175.087 175.510 -1.086 0.000 1.506 176 N CA -0.525 52.110 53.050 -0.692 0.000 0.876 176 N CB 0.273 38.629 38.487 -0.217 0.000 1.452 176 N HN -0.125 nan 8.380 nan 0.000 0.542 177 F N 1.582 121.083 119.950 -0.748 0.000 2.134 177 F HA -0.010 4.517 4.527 -0.001 0.000 0.299 177 F C 2.646 178.286 175.800 -0.267 0.000 1.097 177 F CA 1.493 59.233 58.000 -0.433 0.000 1.264 177 F CB -0.058 38.894 39.000 -0.080 0.000 1.001 177 F HN 0.503 nan 8.300 nan 0.000 0.479 178 R N -0.005 120.405 120.500 -0.150 0.000 2.091 178 R HA -0.208 4.131 4.340 -0.001 0.000 0.238 178 R C 2.096 178.233 176.300 -0.270 0.000 1.136 178 R CA 1.841 57.851 56.100 -0.150 0.000 0.959 178 R CB -1.225 29.041 30.300 -0.056 0.000 0.856 178 R HN 0.382 nan 8.270 nan 0.000 0.437 179 E N 1.013 121.028 120.200 -0.309 0.000 2.204 179 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 179 E C 2.029 178.398 176.600 -0.385 0.000 0.989 179 E CA 0.869 57.089 56.400 -0.299 0.000 0.824 179 E CB -0.001 29.544 29.700 -0.259 0.000 0.756 179 E HN 0.466 nan 8.360 nan 0.000 0.477 180 A N 0.915 123.428 122.820 -0.512 0.000 1.902 180 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 180 A C 2.098 179.455 177.584 -0.378 0.000 1.181 180 A CA 1.293 53.066 52.037 -0.439 0.000 0.623 180 A CB -0.322 18.363 19.000 -0.525 0.000 0.818 180 A HN 0.219 nan 8.150 nan 0.000 0.443 181 M N -0.741 118.556 119.600 -0.505 0.000 2.086 181 M HA -0.102 4.378 4.480 -0.001 0.000 0.261 181 M C 2.199 178.286 176.300 -0.356 0.000 1.067 181 M CA 1.819 56.889 55.300 -0.382 0.000 1.116 181 M CB -1.289 31.126 32.600 -0.307 0.000 1.348 181 M HN 0.594 nan 8.290 nan 0.000 0.407 182 R N 0.441 120.767 120.500 -0.291 0.000 2.083 182 R HA -0.144 4.195 4.340 -0.001 0.000 0.237 182 R C 2.139 178.266 176.300 -0.289 0.000 1.137 182 R CA 1.620 57.585 56.100 -0.224 0.000 0.951 182 R CB -0.324 29.880 30.300 -0.160 0.000 0.851 182 R HN 0.322 nan 8.270 nan 0.000 0.434 183 I N 0.105 120.415 120.570 -0.434 0.000 2.179 183 I HA -0.190 3.979 4.170 -0.001 0.000 0.242 183 I C 2.518 178.383 176.117 -0.419 0.000 1.088 183 I CA 1.508 62.437 61.300 -0.618 0.000 1.357 183 I CB -0.727 36.812 38.000 -0.770 0.000 1.051 183 I HN 0.447 nan 8.210 nan 0.000 0.409 184 G N 0.492 108.990 108.800 -0.504 0.000 2.440 184 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 184 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 184 G C 1.849 176.319 174.900 -0.717 0.000 1.154 184 G CA 0.929 45.514 45.100 -0.858 0.000 0.767 184 G HN 0.502 nan 8.290 nan 0.000 0.552 185 A N 0.916 123.381 122.820 -0.591 0.000 1.855 185 A HA -0.002 4.317 4.320 -0.001 0.000 0.215 185 A C 2.179 179.607 177.584 -0.259 0.000 1.191 185 A CA 1.887 53.659 52.037 -0.441 0.000 0.613 185 A CB -0.445 18.398 19.000 -0.262 0.000 0.829 185 A HN 0.444 nan 8.150 nan 0.000 0.442 186 E N -0.344 119.806 120.200 -0.084 0.000 2.077 186 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 186 E C 1.963 178.607 176.600 0.074 0.000 0.989 186 E CA 1.328 57.778 56.400 0.083 0.000 0.800 186 E CB -0.299 29.509 29.700 0.181 0.000 0.746 186 E HN 0.385 nan 8.360 nan 0.000 0.452 187 V N 0.751 120.681 119.914 0.026 0.000 2.427 187 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 187 V C 2.018 178.135 176.094 0.039 0.000 1.051 187 V CA 1.696 64.028 62.300 0.052 0.000 1.048 187 V CB -0.538 31.306 31.823 0.036 0.000 0.666 187 V HN 0.301 nan 8.190 nan 0.000 0.456 188 Y N 0.749 120.943 120.300 -0.177 0.000 2.145 188 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 188 Y C 2.748 178.668 175.900 0.033 0.000 1.145 188 Y CA 2.076 60.097 58.100 -0.132 0.000 1.148 188 Y CB -0.354 37.875 38.460 -0.385 0.000 0.981 188 Y HN 0.365 nan 8.280 nan 0.000 0.507 189 H N -0.359 118.780 119.070 0.114 0.000 2.389 189 H HA -0.115 4.440 4.556 -0.001 0.000 0.299 189 H C 2.006 177.304 175.328 -0.050 0.000 1.081 189 H CA 1.326 57.389 56.048 0.025 0.000 1.345 189 H CB -0.463 29.345 29.762 0.076 0.000 1.393 189 H HN 0.463 nan 8.280 nan 0.000 0.520 190 N N 0.729 119.479 118.700 0.084 0.000 2.188 190 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 190 N C 2.081 177.560 175.510 -0.052 0.000 1.018 190 N CA 0.509 53.569 53.050 0.018 0.000 0.858 190 N CB -0.176 38.330 38.487 0.032 0.000 0.989 190 N HN 0.194 nan 8.380 nan 0.000 0.426 191 L N 2.171 123.355 121.223 -0.065 0.000 2.131 191 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 191 L C 2.232 178.895 176.870 -0.346 0.000 1.092 191 L CA 1.640 56.408 54.840 -0.120 0.000 0.759 191 L CB -0.414 41.636 42.059 -0.014 0.000 0.903 191 L HN 0.011 nan 8.230 nan 0.000 0.435 192 K N -0.667 119.436 120.400 -0.495 0.000 2.026 192 K HA -0.182 4.138 4.320 -0.001 0.000 0.208 192 K C 1.895 178.232 176.600 -0.438 0.000 1.048 192 K CA 1.601 57.378 56.287 -0.851 0.000 0.929 192 K CB -0.090 32.070 32.500 -0.566 0.000 0.713 192 K HN 0.393 nan 8.250 nan 0.000 0.439 193 N N 0.533 119.091 118.700 -0.236 0.000 2.166 193 N HA -0.140 4.600 4.740 -0.001 0.000 0.186 193 N C 1.852 177.281 175.510 -0.136 0.000 1.019 193 N CA 1.138 54.098 53.050 -0.150 0.000 0.856 193 N CB -0.330 38.103 38.487 -0.090 0.000 0.993 193 N HN 0.020 nan 8.380 nan 0.000 0.426 194 V N 1.929 121.764 119.914 -0.132 0.000 2.295 194 V HA -0.176 3.944 4.120 -0.001 0.000 0.246 194 V C 2.309 178.354 176.094 -0.081 0.000 1.049 194 V CA 1.252 63.497 62.300 -0.091 0.000 1.024 194 V CB -0.366 31.415 31.823 -0.070 0.000 0.648 194 V HN 0.224 nan 8.190 nan 0.000 0.447 195 I N -0.292 120.199 120.570 -0.132 0.000 2.252 195 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 195 I C 2.582 178.682 176.117 -0.027 0.000 1.102 195 I CA 1.776 63.045 61.300 -0.052 0.000 1.385 195 I CB -0.429 37.434 38.000 -0.229 0.000 1.064 195 I HN 0.296 nan 8.210 nan 0.000 0.414 196 K N 1.254 121.574 120.400 -0.134 0.000 2.026 196 K HA -0.265 4.055 4.320 -0.001 0.000 0.208 196 K C 2.103 178.665 176.600 -0.064 0.000 1.048 196 K CA 1.803 58.033 56.287 -0.095 0.000 0.929 196 K CB -0.109 32.316 32.500 -0.124 0.000 0.713 196 K HN 0.244 nan 8.250 nan 0.000 0.439 197 E N 0.352 120.506 120.200 -0.077 0.000 2.153 197 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 197 E C 1.851 178.388 176.600 -0.105 0.000 0.988 197 E CA 1.235 57.587 56.400 -0.079 0.000 0.811 197 E CB 0.162 29.816 29.700 -0.076 0.000 0.746 197 E HN 0.233 nan 8.360 nan 0.000 0.466 198 K N -1.193 119.130 120.400 -0.128 0.000 2.202 198 K HA -0.032 4.287 4.320 -0.001 0.000 0.201 198 K C 0.943 177.274 176.600 -0.448 0.000 1.051 198 K CA 0.592 56.702 56.287 -0.296 0.000 0.977 198 K CB 0.219 32.497 32.500 -0.369 0.000 0.792 198 K HN 0.114 nan 8.250 nan 0.000 0.469 199 Y N -0.172 120.082 120.300 -0.077 0.000 2.445 199 Y HA 0.320 4.870 4.550 -0.001 0.000 0.247 199 Y C 0.595 176.458 175.900 -0.062 0.000 1.129 199 Y CA 0.144 58.203 58.100 -0.067 0.000 1.251 199 Y CB 1.573 39.989 38.460 -0.074 0.000 1.176 199 Y HN 0.242 nan 8.280 nan 0.000 0.522 200 G N 0.693 109.519 108.800 0.043 0.000 2.707 200 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.686 200 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.686 200 G C 0.362 175.262 174.900 0.001 0.000 1.315 200 G CA -0.359 44.747 45.100 0.009 0.000 0.832 200 G HN 0.173 nan 8.290 nan 0.000 0.573 201 K N -0.288 120.104 120.400 -0.012 0.000 2.103 201 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 201 K C 1.791 178.388 176.600 -0.004 0.000 1.048 201 K CA 1.813 58.089 56.287 -0.018 0.000 0.930 201 K CB -0.129 32.363 32.500 -0.012 0.000 0.716 201 K HN 0.485 nan 8.250 nan 0.000 0.444 202 D N 0.629 121.034 120.400 0.007 0.000 2.265 202 D HA -0.121 4.519 4.640 -0.001 0.000 0.208 202 D C 1.376 177.683 176.300 0.010 0.000 0.977 202 D CA 0.944 54.952 54.000 0.013 0.000 0.871 202 D CB -0.013 40.796 40.800 0.015 0.000 0.925 202 D HN 0.256 nan 8.370 nan 0.000 0.485 203 A N -0.109 122.711 122.820 0.001 0.000 2.275 203 A HA 0.051 4.371 4.320 -0.001 0.000 0.212 203 A C 1.776 179.340 177.584 -0.032 0.000 1.201 203 A CA 0.797 52.818 52.037 -0.028 0.000 0.843 203 A CB -0.320 18.651 19.000 -0.048 0.000 0.873 203 A HN 0.247 nan 8.150 nan 0.000 0.492 204 T N -1.990 112.549 114.554 -0.026 0.000 3.188 204 T HA 0.134 4.484 4.350 -0.001 0.000 0.250 204 T C 0.354 175.182 174.700 0.212 0.000 1.077 204 T CA -0.541 61.542 62.100 -0.029 0.000 0.967 204 T CB -0.394 68.395 68.868 -0.132 0.000 1.006 204 T HN 0.233 nan 8.240 nan 0.000 0.552 205 N N 1.876 120.680 118.700 0.173 0.000 2.434 205 N HA 0.474 5.214 4.740 -0.001 0.000 0.266 205 N C -0.024 175.613 175.510 0.212 0.000 1.223 205 N CA -0.395 52.760 53.050 0.176 0.000 0.972 205 N CB 1.717 40.263 38.487 0.098 0.000 1.207 205 N HN 0.327 nan 8.380 nan 0.000 0.525 206 V N -2.816 117.182 119.914 0.140 0.000 2.881 206 V HA 0.879 4.998 4.120 -0.001 0.000 0.316 206 V C 0.732 176.867 176.094 0.067 0.000 1.070 206 V CA -0.779 61.572 62.300 0.085 0.000 0.976 206 V CB 1.087 32.926 31.823 0.026 0.000 1.038 206 V HN 0.630 nan 8.190 nan 0.000 0.446 207 G N 0.559 109.397 108.800 0.063 0.000 2.532 207 G HA2 0.347 4.306 3.960 -0.001 0.000 0.291 207 G HA3 0.347 4.306 3.960 -0.001 0.000 0.291 207 G C 0.145 175.077 174.900 0.054 0.000 1.349 207 G CA -0.024 45.121 45.100 0.076 0.000 1.038 207 G HN 0.755 nan 8.290 nan 0.000 0.518 208 D N -0.160 120.269 120.400 0.048 0.000 2.190 208 D HA -0.090 4.550 4.640 -0.001 0.000 0.200 208 D C 1.707 177.980 176.300 -0.045 0.000 0.992 208 D CA 1.183 55.168 54.000 -0.026 0.000 0.854 208 D CB 0.202 40.928 40.800 -0.122 0.000 0.936 208 D HN 0.616 nan 8.370 nan 0.000 0.462 209 E N -0.845 119.355 120.200 -0.001 0.000 2.451 209 E HA 0.330 4.679 4.350 -0.001 0.000 0.194 209 E C 1.049 177.685 176.600 0.060 0.000 1.027 209 E CA 0.172 56.597 56.400 0.042 0.000 0.914 209 E CB 0.779 30.547 29.700 0.114 0.000 1.054 209 E HN 0.232 nan 8.360 nan 0.000 0.461 210 G N 1.294 110.104 108.800 0.017 0.000 2.199 210 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.254 210 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.254 210 G C 0.620 175.464 174.900 -0.092 0.000 0.982 210 G CA -0.174 44.901 45.100 -0.042 0.000 0.632 210 G HN 0.496 nan 8.290 nan 0.000 0.529 211 G N -0.328 108.461 108.800 -0.019 0.000 2.503 211 G HA2 0.555 4.515 3.960 -0.001 0.000 0.257 211 G HA3 0.555 4.515 3.960 -0.001 0.000 0.257 211 G C 0.088 174.929 174.900 -0.098 0.000 1.214 211 G CA -0.629 44.454 45.100 -0.029 0.000 0.839 211 G HN 0.322 nan 8.290 nan 0.000 0.559 212 F N 0.178 120.212 119.950 0.139 0.000 2.506 212 F HA 0.348 4.875 4.527 -0.001 0.000 0.351 212 F C 1.083 176.881 175.800 -0.003 0.000 1.136 212 F CA 0.253 58.271 58.000 0.030 0.000 1.298 212 F CB 1.150 40.111 39.000 -0.064 0.000 1.145 212 F HN 0.455 nan 8.300 nan 0.000 0.593 213 A N 4.453 127.376 122.820 0.171 0.000 3.047 213 A HA 0.392 4.712 4.320 -0.001 0.000 0.337 213 A C -2.483 175.094 177.584 -0.011 0.000 1.143 213 A CA -1.510 50.563 52.037 0.060 0.000 0.905 213 A CB -0.787 18.250 19.000 0.060 0.000 1.088 213 A HN 0.379 nan 8.150 nan 0.000 0.488 214 P HA 0.084 nan 4.420 nan 0.000 0.272 214 P C -0.580 176.570 177.300 -0.249 0.000 1.223 214 P CA -0.305 62.656 63.100 -0.232 0.000 0.784 214 P CB 0.739 32.188 31.700 -0.418 0.000 0.923 215 N N 3.350 121.900 118.700 -0.250 0.000 3.050 215 N HA 0.124 4.863 4.740 -0.001 0.000 0.289 215 N C 0.205 175.587 175.510 -0.214 0.000 1.209 215 N CA -0.203 52.746 53.050 -0.169 0.000 1.154 215 N CB -0.631 37.809 38.487 -0.078 0.000 1.444 215 N HN 0.441 nan 8.380 nan 0.000 0.529 216 I N -3.207 117.219 120.570 -0.240 0.000 3.067 216 I HA 0.487 4.657 4.170 -0.001 0.000 0.312 216 I C 0.017 176.064 176.117 -0.116 0.000 1.073 216 I CA -1.144 60.038 61.300 -0.198 0.000 1.016 216 I CB 1.847 39.667 38.000 -0.299 0.000 1.227 216 I HN 0.042 nan 8.210 nan 0.000 0.456 217 L N 1.244 122.427 121.223 -0.067 0.000 2.694 217 L HA 0.444 4.783 4.340 -0.001 0.000 0.228 217 L C 0.514 177.378 176.870 -0.010 0.000 1.048 217 L CA 0.788 55.606 54.840 -0.037 0.000 0.887 217 L CB 0.156 42.204 42.059 -0.019 0.000 1.265 217 L HN 0.644 nan 8.230 nan 0.000 0.492 218 E N 0.907 121.107 120.200 0.000 0.000 2.217 218 E HA 0.043 4.393 4.350 -0.001 0.000 0.279 218 E C 0.211 176.829 176.600 0.030 0.000 1.068 218 E CA 0.123 56.548 56.400 0.041 0.000 0.882 218 E CB 0.566 30.300 29.700 0.056 0.000 1.039 218 E HN 0.365 nan 8.360 nan 0.000 0.418 219 N N 2.939 121.713 118.700 0.124 0.000 2.223 219 N HA -0.197 4.542 4.740 -0.001 0.000 0.185 219 N C 1.574 177.084 175.510 -0.000 0.000 1.016 219 N CA 0.853 54.017 53.050 0.191 0.000 0.863 219 N CB 0.074 38.783 38.487 0.369 0.000 0.983 219 N HN 0.344 nan 8.380 nan 0.000 0.429 220 K N 1.168 121.587 120.400 0.032 0.000 2.147 220 K HA -0.194 4.126 4.320 -0.001 0.000 0.205 220 K C 1.772 178.306 176.600 -0.109 0.000 1.049 220 K CA 1.169 57.414 56.287 -0.069 0.000 0.936 220 K CB 0.089 32.742 32.500 0.254 0.000 0.722 220 K HN 0.023 nan 8.250 nan 0.000 0.446 221 E N 0.124 120.285 120.200 -0.064 0.000 2.150 221 E HA -0.082 4.268 4.350 -0.001 0.000 0.193 221 E C 1.738 178.212 176.600 -0.210 0.000 0.985 221 E CA 1.580 57.936 56.400 -0.075 0.000 0.814 221 E CB -0.510 29.175 29.700 -0.025 0.000 0.752 221 E HN 0.426 nan 8.360 nan 0.000 0.466 222 G N 0.679 109.254 108.800 -0.376 0.000 2.418 222 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.217 222 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.217 222 G C 1.587 176.234 174.900 -0.422 0.000 1.158 222 G CA 0.936 45.621 45.100 -0.691 0.000 0.771 222 G HN 0.316 nan 8.290 nan 0.000 0.545 223 L N -0.076 120.929 121.223 -0.362 0.000 2.056 223 L HA -0.013 4.326 4.340 -0.001 0.000 0.207 223 L C 2.772 179.327 176.870 -0.525 0.000 1.078 223 L CA 1.301 55.819 54.840 -0.538 0.000 0.749 223 L CB -0.317 41.056 42.059 -1.143 0.000 0.901 223 L HN 0.207 nan 8.230 nan 0.000 0.433 224 E N 0.757 120.743 120.200 -0.355 0.000 2.077 224 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 224 E C 2.185 178.770 176.600 -0.024 0.000 0.989 224 E CA 1.349 57.727 56.400 -0.035 0.000 0.800 224 E CB -0.256 29.487 29.700 0.071 0.000 0.746 224 E HN 0.339 nan 8.360 nan 0.000 0.452 225 L N -0.419 120.761 121.223 -0.073 0.000 2.012 225 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 225 L C 2.321 179.173 176.870 -0.031 0.000 1.073 225 L CA 0.764 55.577 54.840 -0.044 0.000 0.748 225 L CB -0.478 41.532 42.059 -0.081 0.000 0.891 225 L HN 0.224 nan 8.230 nan 0.000 0.431 226 L N 0.076 121.269 121.223 -0.050 0.000 2.012 226 L HA -0.269 4.071 4.340 -0.001 0.000 0.210 226 L C 2.596 179.481 176.870 0.026 0.000 1.073 226 L CA 1.777 56.617 54.840 -0.000 0.000 0.748 226 L CB -0.779 41.283 42.059 0.005 0.000 0.891 226 L HN 0.198 nan 8.230 nan 0.000 0.431 227 K N -1.087 119.330 120.400 0.029 0.000 2.044 227 K HA -0.257 4.063 4.320 -0.001 0.000 0.210 227 K C 2.163 178.806 176.600 0.072 0.000 1.049 227 K CA 2.130 58.472 56.287 0.093 0.000 0.927 227 K CB -0.256 32.359 32.500 0.192 0.000 0.713 227 K HN 0.502 nan 8.250 nan 0.000 0.443 228 T N -1.478 113.106 114.554 0.050 0.000 2.904 228 T HA 0.044 4.393 4.350 -0.001 0.000 0.267 228 T C 1.887 176.600 174.700 0.021 0.000 1.059 228 T CA 1.011 63.131 62.100 0.033 0.000 1.137 228 T CB -0.166 68.715 68.868 0.021 0.000 0.879 228 T HN 0.285 nan 8.240 nan 0.000 0.467 229 A N 1.173 124.004 122.820 0.019 0.000 1.930 229 A HA 0.175 4.494 4.320 -0.001 0.000 0.217 229 A C 2.361 179.971 177.584 0.043 0.000 1.175 229 A CA 1.261 53.309 52.037 0.018 0.000 0.627 229 A CB -0.748 18.261 19.000 0.015 0.000 0.815 229 A HN 0.623 nan 8.150 nan 0.000 0.443 230 I N -0.365 120.241 120.570 0.060 0.000 2.179 230 I HA -0.209 3.961 4.170 -0.001 0.000 0.242 230 I C 2.725 178.883 176.117 0.068 0.000 1.088 230 I CA 1.230 62.584 61.300 0.090 0.000 1.357 230 I CB -0.624 37.433 38.000 0.095 0.000 1.051 230 I HN 0.397 nan 8.210 nan 0.000 0.409 231 G N 0.484 109.309 108.800 0.042 0.000 2.421 231 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.216 231 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.216 231 G C 1.700 176.589 174.900 -0.018 0.000 1.171 231 G CA 0.711 45.819 45.100 0.013 0.000 0.775 231 G HN 0.275 nan 8.290 nan 0.000 0.543 232 K N 0.484 120.878 120.400 -0.010 0.000 2.113 232 K HA -0.034 4.286 4.320 -0.001 0.000 0.208 232 K C 2.563 179.136 176.600 -0.044 0.000 1.047 232 K CA 1.300 57.573 56.287 -0.025 0.000 0.928 232 K CB -0.240 32.251 32.500 -0.015 0.000 0.716 232 K HN 0.257 nan 8.250 nan 0.000 0.446 233 A N -0.156 122.647 122.820 -0.029 0.000 2.208 233 A HA 0.174 4.493 4.320 -0.001 0.000 0.209 233 A C 1.167 178.560 177.584 -0.318 0.000 1.161 233 A CA 0.851 52.852 52.037 -0.060 0.000 0.782 233 A CB -0.231 18.841 19.000 0.120 0.000 0.816 233 A HN 0.513 nan 8.150 nan 0.000 0.477 234 G N -2.003 106.642 108.800 -0.258 0.000 2.212 234 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.255 234 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.255 234 G C 0.008 174.613 174.900 -0.493 0.000 1.062 234 G CA 0.490 45.371 45.100 -0.365 0.000 0.815 234 G HN 0.633 nan 8.290 nan 0.000 0.497 235 Y N -0.635 119.667 120.300 0.003 0.000 2.698 235 Y HA 0.255 4.805 4.550 -0.001 0.000 0.261 235 Y C 2.172 178.082 175.900 0.015 0.000 1.104 235 Y CA 0.227 58.330 58.100 0.005 0.000 1.145 235 Y CB 0.629 39.087 38.460 -0.003 0.000 1.191 235 Y HN 0.212 nan 8.280 nan 0.000 0.564 236 T N -0.188 114.435 114.554 0.115 0.000 2.833 236 T HA -0.180 4.169 4.350 -0.001 0.000 0.269 236 T C 1.543 176.298 174.700 0.091 0.000 1.054 236 T CA 1.942 64.097 62.100 0.093 0.000 1.135 236 T CB -0.143 68.760 68.868 0.058 0.000 0.869 236 T HN 0.573 nan 8.240 nan 0.000 0.466 237 D N 0.716 121.171 120.400 0.092 0.000 2.349 237 D HA -0.012 4.628 4.640 -0.001 0.000 0.224 237 D C 1.294 177.651 176.300 0.096 0.000 1.029 237 D CA 0.494 54.544 54.000 0.083 0.000 0.879 237 D CB -0.037 40.804 40.800 0.070 0.000 0.906 237 D HN 0.288 nan 8.370 nan 0.000 0.528 238 K N -0.188 120.285 120.400 0.121 0.000 2.438 238 K HA 0.237 4.557 4.320 -0.001 0.000 0.206 238 K C -0.483 176.152 176.600 0.059 0.000 1.081 238 K CA -0.089 56.256 56.287 0.097 0.000 1.053 238 K CB 2.361 34.929 32.500 0.112 0.000 0.908 238 K HN -0.069 nan 8.250 nan 0.000 0.556 239 V N 2.204 122.160 119.914 0.069 0.000 2.588 239 V HA 0.369 4.488 4.120 -0.001 0.000 0.304 239 V C -0.222 175.895 176.094 0.038 0.000 1.042 239 V CA -1.000 61.325 62.300 0.042 0.000 0.877 239 V CB 1.804 33.664 31.823 0.062 0.000 0.996 239 V HN -0.030 nan 8.190 nan 0.000 0.425 240 V N 2.670 122.583 119.914 -0.001 0.000 3.113 240 V HA 0.738 4.857 4.120 -0.001 0.000 0.316 240 V C -0.551 175.540 176.094 -0.004 0.000 1.125 240 V CA -0.936 61.367 62.300 0.006 0.000 1.026 240 V CB 2.242 34.054 31.823 -0.017 0.000 1.080 240 V HN 0.655 nan 8.190 nan 0.000 0.444 241 I N 0.740 121.321 120.570 0.018 0.000 2.603 241 I HA 0.819 4.988 4.170 -0.001 0.000 0.300 241 I C 0.527 176.638 176.117 -0.009 0.000 1.017 241 I CA -0.408 60.898 61.300 0.011 0.000 1.098 241 I CB 2.089 40.106 38.000 0.029 0.000 1.279 241 I HN 0.981 nan 8.210 nan 0.000 0.437 242 G N 5.068 113.850 108.800 -0.029 0.000 2.574 242 G HA2 0.843 4.803 3.960 -0.001 0.000 0.299 242 G HA3 0.843 4.803 3.960 -0.001 0.000 0.299 242 G C -1.195 173.647 174.900 -0.098 0.000 1.298 242 G CA -0.632 44.439 45.100 -0.048 0.000 0.952 242 G HN 0.428 nan 8.290 nan 0.000 0.477 243 M N 0.848 120.364 119.600 -0.141 0.000 2.484 243 M HA 0.344 4.824 4.480 -0.001 0.000 0.289 243 M C -1.929 174.245 176.300 -0.209 0.000 1.206 243 M CA -0.809 54.340 55.300 -0.252 0.000 0.892 243 M CB 3.118 35.513 32.600 -0.341 0.000 1.712 243 M HN 0.488 nan 8.290 nan 0.000 0.462 244 D N 1.620 121.894 120.400 -0.210 0.000 2.454 244 D HA 0.381 5.021 4.640 -0.001 0.000 0.247 244 D C 0.140 176.335 176.300 -0.175 0.000 1.129 244 D CA -0.411 53.499 54.000 -0.150 0.000 0.877 244 D CB 1.674 42.439 40.800 -0.059 0.000 1.082 244 D HN 0.343 nan 8.370 nan 0.000 0.537 245 V N 3.382 123.173 119.914 -0.205 0.000 2.453 245 V HA -0.002 4.118 4.120 -0.001 0.000 0.247 245 V C 1.587 177.635 176.094 -0.077 0.000 1.048 245 V CA 1.100 63.331 62.300 -0.115 0.000 1.049 245 V CB -1.110 30.607 31.823 -0.176 0.000 0.672 245 V HN 0.923 nan 8.190 nan 0.000 0.457 246 A N -0.081 122.633 122.820 -0.176 0.000 2.739 246 A HA -0.206 4.113 4.320 -0.001 0.000 0.296 246 A C 1.590 178.909 177.584 -0.442 0.000 1.488 246 A CA 0.980 52.896 52.037 -0.202 0.000 0.746 246 A CB -1.687 17.233 19.000 -0.133 0.000 1.047 246 A HN 1.124 nan 8.150 nan 0.000 0.477 247 A N -0.289 122.176 122.820 -0.590 0.000 2.076 247 A HA 0.037 4.357 4.320 -0.001 0.000 0.220 247 A C 2.302 179.413 177.584 -0.788 0.000 1.160 247 A CA 2.260 53.641 52.037 -1.094 0.000 0.653 247 A CB -0.653 17.911 19.000 -0.726 0.000 0.801 247 A HN 1.478 nan 8.150 nan 0.000 0.455 248 S N -0.088 115.374 115.700 -0.396 0.000 2.442 248 S HA -0.111 4.358 4.470 -0.001 0.000 0.236 248 S C 1.695 176.146 174.600 -0.249 0.000 1.007 248 S CA 1.098 59.165 58.200 -0.222 0.000 0.965 248 S CB -0.192 62.929 63.200 -0.131 0.000 0.773 248 S HN 0.606 nan 8.310 nan 0.000 0.504 249 E N 1.174 121.125 120.200 -0.416 0.000 2.150 249 E HA -0.072 4.277 4.350 -0.001 0.000 0.193 249 E C 0.952 177.221 176.600 -0.551 0.000 0.985 249 E CA 0.808 56.975 56.400 -0.387 0.000 0.814 249 E CB -0.149 29.351 29.700 -0.334 0.000 0.752 249 E HN 0.844 nan 8.360 nan 0.000 0.466 250 F N -1.515 118.119 119.950 -0.527 0.000 2.855 250 F HA 0.355 4.882 4.527 -0.000 0.000 0.317 250 F C 0.012 175.727 175.800 -0.142 0.000 1.169 250 F CA -1.264 56.412 58.000 -0.540 0.000 1.299 250 F CB -0.388 38.184 39.000 -0.714 0.000 0.962 250 F HN -0.293 nan 8.300 nan 0.000 0.506 251 F N 4.008 123.817 119.950 -0.235 0.000 2.445 251 F HA 0.552 5.079 4.527 0.000 0.000 0.359 251 F C -0.094 175.528 175.800 -0.296 0.000 1.101 251 F CA -0.970 56.849 58.000 -0.302 0.000 1.177 251 F CB 0.540 39.403 39.000 -0.227 0.000 1.110 251 F HN 0.009 nan 8.300 nan 0.000 0.522 252 R N 4.605 124.537 120.500 -0.947 0.000 2.407 252 R HA 0.202 4.542 4.340 -0.001 0.000 0.298 252 R C -0.139 175.647 176.300 -0.857 0.000 1.166 252 R CA -0.417 55.206 56.100 -0.796 0.000 1.006 252 R CB 0.785 30.570 30.300 -0.859 0.000 1.145 252 R HN 0.811 nan 8.270 nan 0.000 0.538 253 S N 1.185 116.369 115.700 -0.861 0.000 3.491 253 S HA -0.249 4.221 4.470 -0.001 0.000 0.371 253 S C 1.172 175.469 174.600 -0.506 0.000 0.980 253 S CA 1.394 59.263 58.200 -0.551 0.000 1.204 253 S CB -1.077 61.994 63.200 -0.216 0.000 0.915 253 S HN 1.083 nan 8.310 nan 0.000 0.482 254 G N -0.612 107.668 108.800 -0.866 0.000 2.254 254 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.225 254 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.225 254 G C -0.043 174.696 174.900 -0.269 0.000 1.003 254 G CA 0.406 45.369 45.100 -0.228 0.000 0.622 254 G HN 0.651 nan 8.290 nan 0.000 0.507 255 K N -0.719 119.394 120.400 -0.478 0.000 2.280 255 K HA 0.723 5.042 4.320 -0.001 0.000 0.234 255 K C -1.163 175.062 176.600 -0.625 0.000 1.028 255 K CA -0.866 55.231 56.287 -0.317 0.000 0.882 255 K CB 1.365 33.848 32.500 -0.028 0.000 1.194 255 K HN 0.110 nan 8.250 nan 0.000 0.458 256 Y N -0.016 120.288 120.300 0.008 0.000 2.409 256 Y HA 0.173 4.723 4.550 -0.001 0.000 0.343 256 Y C -0.607 175.277 175.900 -0.028 0.000 0.973 256 Y CA -0.939 57.218 58.100 0.095 0.000 1.064 256 Y CB 1.728 40.377 38.460 0.314 0.000 1.207 256 Y HN 0.490 nan 8.280 nan 0.000 0.452 257 D N 3.257 123.701 120.400 0.073 0.000 2.454 257 D HA 0.244 4.883 4.640 -0.001 0.000 0.225 257 D C -0.079 176.178 176.300 -0.072 0.000 1.081 257 D CA -0.131 53.885 54.000 0.026 0.000 0.864 257 D CB 0.772 41.561 40.800 -0.018 0.000 1.040 257 D HN 0.631 nan 8.370 nan 0.000 0.517 258 L N 2.488 123.627 121.223 -0.141 0.000 2.693 258 L HA 0.151 4.490 4.340 -0.001 0.000 0.242 258 L C 0.575 177.408 176.870 -0.061 0.000 1.157 258 L CA 0.376 55.054 54.840 -0.269 0.000 0.929 258 L CB 0.047 41.983 42.059 -0.204 0.000 1.103 258 L HN 0.313 nan 8.230 nan 0.000 0.430 259 D N -0.991 119.440 120.400 0.051 0.000 2.865 259 D HA -0.004 4.636 4.640 -0.001 0.000 0.347 259 D C 1.170 177.508 176.300 0.063 0.000 1.498 259 D CA -0.433 53.583 54.000 0.027 0.000 0.787 259 D CB 0.160 40.977 40.800 0.028 0.000 1.190 259 D HN 0.177 nan 8.370 nan 0.000 0.445 260 F N 0.323 120.275 119.950 0.003 0.000 2.583 260 F HA 0.184 4.711 4.527 -0.001 0.000 0.297 260 F C 1.121 176.962 175.800 0.069 0.000 1.131 260 F CA 0.589 58.628 58.000 0.066 0.000 1.467 260 F CB -0.203 38.870 39.000 0.121 0.000 1.097 260 F HN -0.110 nan 8.300 nan 0.000 0.586 261 K N 0.400 120.463 120.400 -0.562 0.000 2.410 261 K HA 0.231 4.550 4.320 -0.001 0.000 0.200 261 K C -0.044 176.450 176.600 -0.175 0.000 1.023 261 K CA -0.043 55.969 56.287 -0.458 0.000 1.149 261 K CB 0.234 32.391 32.500 -0.572 0.000 0.859 261 K HN 0.157 nan 8.250 nan 0.000 0.514 262 S N 1.450 117.096 115.700 -0.090 0.000 2.568 262 S HA 0.384 4.854 4.470 -0.001 0.000 0.302 262 S C -2.630 171.980 174.600 0.016 0.000 1.082 262 S CA -1.396 56.786 58.200 -0.030 0.000 1.009 262 S CB 1.677 64.867 63.200 -0.017 0.000 1.069 262 S HN -0.079 nan 8.310 nan 0.000 0.500 263 P HA -0.015 nan 4.420 nan 0.000 0.259 263 P C -0.315 177.017 177.300 0.054 0.000 1.163 263 P CA 0.233 63.353 63.100 0.034 0.000 0.760 263 P CB 0.068 31.780 31.700 0.020 0.000 0.762 264 D N 2.586 123.034 120.400 0.079 0.000 2.461 264 D HA 0.017 4.657 4.640 -0.001 0.000 0.231 264 D C -0.108 176.223 176.300 0.051 0.000 1.208 264 D CA 1.306 55.371 54.000 0.110 0.000 0.879 264 D CB 0.236 41.108 40.800 0.120 0.000 1.220 264 D HN 0.332 nan 8.370 nan 0.000 0.480 265 D N 1.508 121.921 120.400 0.022 0.000 2.540 265 D HA 0.107 4.747 4.640 -0.001 0.000 0.194 265 D C -2.431 173.690 176.300 -0.299 0.000 1.291 265 D CA -0.816 53.129 54.000 -0.091 0.000 1.158 265 D CB 0.641 41.419 40.800 -0.037 0.000 1.474 265 D HN 0.063 nan 8.370 nan 0.000 0.578 266 P HA -0.205 nan 4.420 nan 0.000 0.218 266 P C 1.417 178.300 177.300 -0.696 0.000 1.147 266 P CA 1.718 64.028 63.100 -1.317 0.000 0.827 266 P CB 0.155 31.390 31.700 -0.776 0.000 0.778 267 S N 0.036 115.541 115.700 -0.325 0.000 2.465 267 S HA -0.203 4.267 4.470 -0.001 0.000 0.241 267 S C 1.840 176.394 174.600 -0.077 0.000 1.000 267 S CA 0.908 59.015 58.200 -0.156 0.000 0.964 267 S CB -0.933 62.210 63.200 -0.095 0.000 0.763 267 S HN 0.349 nan 8.310 nan 0.000 0.512 268 R N -0.909 119.559 120.500 -0.053 0.000 2.210 268 R HA 0.129 4.469 4.340 -0.001 0.000 0.203 268 R C -0.070 176.346 176.300 0.193 0.000 1.010 268 R CA -0.233 55.908 56.100 0.068 0.000 1.008 268 R CB -0.577 29.777 30.300 0.090 0.000 0.923 268 R HN 0.320 nan 8.270 nan 0.000 0.469 269 Y N 2.796 123.109 120.300 0.023 0.000 2.890 269 Y HA 0.002 4.552 4.550 0.001 0.000 0.341 269 Y C 1.158 177.084 175.900 0.043 0.000 1.269 269 Y CA -1.015 57.106 58.100 0.035 0.000 1.517 269 Y CB 0.018 38.482 38.460 0.007 0.000 1.314 269 Y HN 0.150 nan 8.280 nan 0.000 0.622 270 I N -0.940 119.768 120.570 0.231 0.000 3.108 270 I HA 0.745 4.915 4.170 -0.001 0.000 0.312 270 I C -0.160 176.079 176.117 0.204 0.000 1.095 270 I CA -1.219 60.181 61.300 0.165 0.000 1.000 270 I CB 2.248 40.309 38.000 0.102 0.000 1.229 270 I HN 0.445 nan 8.210 nan 0.000 0.454 271 S N 1.391 117.190 115.700 0.165 0.000 2.652 271 S HA 0.501 4.971 4.470 -0.001 0.000 0.270 271 S C -1.724 173.038 174.600 0.270 0.000 1.243 271 S CA -1.114 57.202 58.200 0.193 0.000 0.999 271 S CB 1.046 64.318 63.200 0.120 0.000 0.973 271 S HN 0.667 nan 8.310 nan 0.000 0.544 272 P HA -0.116 nan 4.420 nan 0.000 0.216 272 P C 0.667 178.084 177.300 0.196 0.000 1.150 272 P CA 1.249 64.562 63.100 0.356 0.000 0.837 272 P CB -0.094 31.731 31.700 0.207 0.000 0.786 273 D N -0.017 120.446 120.400 0.106 0.000 2.117 273 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 273 D C 2.262 178.588 176.300 0.043 0.000 0.987 273 D CA 1.124 55.165 54.000 0.069 0.000 0.829 273 D CB -0.359 40.472 40.800 0.052 0.000 0.961 273 D HN 0.328 nan 8.370 nan 0.000 0.460 274 Q N -0.146 119.674 119.800 0.034 0.000 2.079 274 Q HA -0.120 4.219 4.340 -0.001 0.000 0.200 274 Q C 2.238 178.157 176.000 -0.135 0.000 0.974 274 Q CA 0.550 56.337 55.803 -0.025 0.000 0.840 274 Q CB -0.085 28.656 28.738 0.004 0.000 0.898 274 Q HN 0.154 nan 8.270 nan 0.000 0.430 275 L N 0.730 121.865 121.223 -0.146 0.000 2.046 275 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 275 L C 2.154 178.593 176.870 -0.718 0.000 1.077 275 L CA 2.010 56.563 54.840 -0.479 0.000 0.747 275 L CB -0.825 40.981 42.059 -0.420 0.000 0.896 275 L HN 0.128 nan 8.230 nan 0.000 0.432 276 A N -0.958 121.746 122.820 -0.194 0.000 1.902 276 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 276 A C 2.018 179.593 177.584 -0.016 0.000 1.181 276 A CA 1.920 53.965 52.037 0.013 0.000 0.623 276 A CB -0.759 18.413 19.000 0.286 0.000 0.818 276 A HN 0.533 nan 8.150 nan 0.000 0.443 277 D N -0.582 119.774 120.400 -0.073 0.000 2.178 277 D HA -0.095 4.545 4.640 -0.001 0.000 0.202 277 D C 1.837 178.021 176.300 -0.193 0.000 0.974 277 D CA 1.040 55.002 54.000 -0.065 0.000 0.841 277 D CB -0.261 40.509 40.800 -0.050 0.000 0.953 277 D HN 0.357 nan 8.370 nan 0.000 0.478 278 L N 0.425 121.412 121.223 -0.393 0.000 2.017 278 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 278 L C 2.044 178.427 176.870 -0.812 0.000 1.073 278 L CA 1.618 56.074 54.840 -0.641 0.000 0.745 278 L CB -0.850 40.757 42.059 -0.754 0.000 0.894 278 L HN -0.035 nan 8.230 nan 0.000 0.432 279 Y N 0.485 120.497 120.300 -0.479 0.000 2.128 279 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 279 Y C 2.501 178.389 175.900 -0.019 0.000 1.154 279 Y CA 1.532 59.471 58.100 -0.268 0.000 1.149 279 Y CB -0.963 37.359 38.460 -0.230 0.000 0.976 279 Y HN 0.239 nan 8.280 nan 0.000 0.505 280 K N -0.009 120.509 120.400 0.195 0.000 2.209 280 K HA -0.135 4.184 4.320 -0.001 0.000 0.204 280 K C 2.271 178.936 176.600 0.109 0.000 1.048 280 K CA 1.477 57.870 56.287 0.177 0.000 0.940 280 K CB -0.318 32.274 32.500 0.152 0.000 0.729 280 K HN 0.398 nan 8.250 nan 0.000 0.451 281 S N 0.726 116.435 115.700 0.014 0.000 2.387 281 S HA -0.083 4.386 4.470 -0.001 0.000 0.226 281 S C 1.967 176.722 174.600 0.259 0.000 1.026 281 S CA 0.579 58.815 58.200 0.059 0.000 0.972 281 S CB -0.721 62.465 63.200 -0.023 0.000 0.814 281 S HN 0.269 nan 8.310 nan 0.000 0.477 282 F N 1.572 121.645 119.950 0.206 0.000 2.102 282 F HA -0.004 4.522 4.527 -0.001 0.000 0.298 282 F C 2.401 178.366 175.800 0.276 0.000 1.105 282 F CA 0.902 59.091 58.000 0.316 0.000 1.239 282 F CB -0.364 38.798 39.000 0.270 0.000 0.991 282 F HN 0.195 nan 8.300 nan 0.000 0.474 283 I N 0.258 121.067 120.570 0.398 0.000 2.361 283 I HA -0.298 3.872 4.170 -0.001 0.000 0.251 283 I C 2.429 178.650 176.117 0.173 0.000 1.133 283 I CA 1.312 62.763 61.300 0.252 0.000 1.413 283 I CB -0.385 37.730 38.000 0.192 0.000 1.073 283 I HN 0.115 nan 8.210 nan 0.000 0.424 284 K N 0.818 121.308 120.400 0.149 0.000 2.044 284 K HA -0.152 4.168 4.320 -0.001 0.000 0.204 284 K C 1.393 178.001 176.600 0.014 0.000 1.049 284 K CA 1.481 57.812 56.287 0.073 0.000 0.945 284 K CB 0.109 32.642 32.500 0.055 0.000 0.724 284 K HN 0.194 nan 8.250 nan 0.000 0.440 285 D N -0.813 119.571 120.400 -0.026 0.000 2.323 285 D HA -0.008 4.632 4.640 -0.001 0.000 0.209 285 D C -0.210 175.725 176.300 -0.607 0.000 0.973 285 D CA 0.794 54.593 54.000 -0.335 0.000 0.874 285 D CB 0.239 40.750 40.800 -0.481 0.000 0.930 285 D HN 0.138 nan 8.370 nan 0.000 0.521 286 Y N -0.894 119.472 120.300 0.109 0.000 2.609 286 Y HA 0.307 4.856 4.550 -0.001 0.000 0.342 286 Y C -2.020 173.926 175.900 0.077 0.000 1.058 286 Y CA -2.483 55.665 58.100 0.081 0.000 1.055 286 Y CB 1.391 39.889 38.460 0.064 0.000 1.292 286 Y HN -0.300 nan 8.280 nan 0.000 0.476 287 P HA 0.076 nan 4.420 nan 0.000 0.225 287 P C -0.685 176.696 177.300 0.134 0.000 1.768 287 P CA 0.297 63.486 63.100 0.148 0.000 0.943 287 P CB -0.288 31.483 31.700 0.119 0.000 1.936 288 V N 2.428 122.438 119.914 0.160 0.000 2.389 288 V HA 0.022 4.141 4.120 -0.001 0.000 0.264 288 V C 1.786 177.943 176.094 0.105 0.000 1.049 288 V CA 0.107 62.480 62.300 0.123 0.000 0.932 288 V CB 1.333 33.253 31.823 0.162 0.000 1.011 288 V HN 0.213 nan 8.190 nan 0.000 0.475 289 V N 1.882 121.848 119.914 0.086 0.000 3.643 289 V HA 0.445 4.565 4.120 -0.001 0.000 0.280 289 V C 0.567 176.721 176.094 0.100 0.000 1.351 289 V CA 0.487 62.853 62.300 0.109 0.000 1.073 289 V CB 0.714 32.641 31.823 0.173 0.000 0.863 289 V HN 0.665 nan 8.190 nan 0.000 0.436 290 S N 0.004 115.741 115.700 0.061 0.000 2.572 290 S HA 0.775 5.245 4.470 -0.001 0.000 0.274 290 S C -1.266 173.318 174.600 -0.026 0.000 1.150 290 S CA -0.548 57.673 58.200 0.035 0.000 0.944 290 S CB 1.657 64.899 63.200 0.071 0.000 1.071 290 S HN 0.345 nan 8.310 nan 0.000 0.479 291 I N 3.446 123.981 120.570 -0.059 0.000 2.499 291 I HA 0.428 4.598 4.170 -0.001 0.000 0.288 291 I C -0.317 175.691 176.117 -0.183 0.000 1.048 291 I CA -0.527 60.673 61.300 -0.166 0.000 1.062 291 I CB 2.016 39.856 38.000 -0.266 0.000 1.238 291 I HN 0.666 nan 8.210 nan 0.000 0.426 292 E N 5.925 126.009 120.200 -0.193 0.000 2.191 292 E HA 0.173 4.523 4.350 -0.001 0.000 0.278 292 E C -0.782 175.692 176.600 -0.211 0.000 0.972 292 E CA -0.421 55.906 56.400 -0.122 0.000 0.804 292 E CB 1.007 30.677 29.700 -0.052 0.000 1.110 292 E HN 0.525 nan 8.360 nan 0.000 0.394 293 D N 4.159 124.508 120.400 -0.085 0.000 2.704 293 D HA -0.145 4.494 4.640 -0.001 0.000 0.232 293 D C -1.754 174.185 176.300 -0.603 0.000 1.183 293 D CA 0.547 54.465 54.000 -0.136 0.000 0.647 293 D CB -0.446 40.341 40.800 -0.022 0.000 1.013 293 D HN 0.489 nan 8.370 nan 0.000 0.415 294 P HA -0.113 nan 4.420 nan 0.000 0.225 294 P C 0.317 176.627 177.300 -1.651 0.000 1.148 294 P CA 1.014 63.236 63.100 -1.463 0.000 0.779 294 P CB 0.247 30.805 31.700 -1.903 0.000 0.780 295 F N -0.912 118.457 119.950 -0.969 0.000 2.675 295 F HA 0.360 4.887 4.527 -0.001 0.000 0.324 295 F C 0.606 176.292 175.800 -0.190 0.000 1.106 295 F CA -1.415 56.193 58.000 -0.653 0.000 0.970 295 F CB -0.023 38.561 39.000 -0.693 0.000 1.385 295 F HN -0.355 nan 8.300 nan 0.000 0.489 296 D N 0.651 121.162 120.400 0.185 0.000 2.419 296 D HA 0.009 4.649 4.640 -0.001 0.000 0.236 296 D C 1.128 177.453 176.300 0.041 0.000 1.165 296 D CA 0.227 54.168 54.000 -0.099 0.000 0.882 296 D CB 0.797 41.057 40.800 -0.901 0.000 1.201 296 D HN 0.618 nan 8.370 nan 0.000 0.443 297 Q N 1.162 120.919 119.800 -0.072 0.000 2.443 297 Q HA -0.175 4.165 4.340 -0.001 0.000 0.213 297 Q C -0.168 175.690 176.000 -0.237 0.000 0.982 297 Q CA 1.233 56.980 55.803 -0.095 0.000 0.894 297 Q CB 0.149 28.907 28.738 0.034 0.000 0.947 297 Q HN 0.486 nan 8.270 nan 0.000 0.480 298 D N 0.360 120.643 120.400 -0.194 0.000 2.582 298 D HA 0.049 4.689 4.640 -0.001 0.000 0.246 298 D C -0.669 175.604 176.300 -0.045 0.000 1.334 298 D CA -0.043 53.895 54.000 -0.104 0.000 0.805 298 D CB 0.399 41.322 40.800 0.204 0.000 1.087 298 D HN 0.123 nan 8.370 nan 0.000 0.499 299 D N -0.059 120.280 120.400 -0.102 0.000 2.896 299 D HA 0.029 4.669 4.640 -0.001 0.000 0.240 299 D C 1.031 177.436 176.300 0.175 0.000 1.193 299 D CA -0.506 53.539 54.000 0.076 0.000 0.983 299 D CB -0.290 40.577 40.800 0.110 0.000 1.074 299 D HN 0.079 nan 8.370 nan 0.000 0.496 300 W N 1.232 122.607 121.300 0.124 0.000 2.305 300 W HA -0.132 4.528 4.660 -0.001 0.000 0.308 300 W C 2.495 179.086 176.519 0.121 0.000 1.226 300 W CA 1.401 58.804 57.345 0.096 0.000 1.253 300 W CB -0.636 28.826 29.460 0.005 0.000 1.146 300 W HN 0.346 nan 8.180 nan 0.000 0.507 301 G N -0.035 108.929 108.800 0.274 0.000 2.440 301 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 301 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 301 G C 1.670 176.594 174.900 0.040 0.000 1.154 301 G CA 1.676 46.864 45.100 0.147 0.000 0.767 301 G HN 0.357 nan 8.290 nan 0.000 0.552 302 A N 0.000 122.753 122.820 -0.112 0.000 1.898 302 A HA 0.006 4.326 4.320 -0.001 0.000 0.216 302 A C 2.157 179.486 177.584 -0.425 0.000 1.181 302 A CA 1.447 53.154 52.037 -0.550 0.000 0.620 302 A CB -0.674 17.584 19.000 -1.238 0.000 0.819 302 A HN 0.482 nan 8.150 nan 0.000 0.442 303 W N -0.116 121.043 121.300 -0.234 0.000 2.333 303 W HA -0.223 4.437 4.660 -0.000 0.000 0.316 303 W C 2.705 179.282 176.519 0.097 0.000 1.215 303 W CA 1.986 59.359 57.345 0.047 0.000 1.278 303 W CB -0.567 28.873 29.460 -0.033 0.000 1.154 303 W HN 0.511 nan 8.180 nan 0.000 0.486 304 Q N 0.926 120.919 119.800 0.322 0.000 2.077 304 Q HA -0.310 4.030 4.340 -0.001 0.000 0.206 304 Q C 2.299 178.392 176.000 0.154 0.000 0.989 304 Q CA 2.297 58.233 55.803 0.223 0.000 0.853 304 Q CB -0.419 28.435 28.738 0.193 0.000 0.907 304 Q HN 0.269 nan 8.270 nan 0.000 0.418 305 K N -0.665 119.807 120.400 0.119 0.000 2.057 305 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 305 K C 1.935 178.620 176.600 0.142 0.000 1.049 305 K CA 1.371 57.715 56.287 0.094 0.000 0.931 305 K CB -0.294 32.236 32.500 0.051 0.000 0.714 305 K HN 0.236 nan 8.250 nan 0.000 0.440 306 F N 1.669 121.640 119.950 0.035 0.000 2.128 306 F HA -0.122 4.405 4.527 -0.000 0.000 0.295 306 F C 2.063 177.903 175.800 0.067 0.000 1.100 306 F CA 1.690 59.748 58.000 0.095 0.000 1.260 306 F CB -0.635 38.516 39.000 0.251 0.000 1.009 306 F HN -0.030 nan 8.300 nan 0.000 0.476 307 T N 0.466 115.029 114.554 0.015 0.000 2.788 307 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 307 T C 2.142 176.767 174.700 -0.125 0.000 1.044 307 T CA 1.356 63.394 62.100 -0.103 0.000 1.139 307 T CB -0.711 68.187 68.868 0.049 0.000 0.867 307 T HN 0.342 nan 8.240 nan 0.000 0.454 308 A N 1.299 124.091 122.820 -0.047 0.000 2.014 308 A HA 0.010 4.330 4.320 -0.001 0.000 0.218 308 A C 2.433 179.975 177.584 -0.071 0.000 1.163 308 A CA 1.648 53.663 52.037 -0.038 0.000 0.652 308 A CB -0.335 18.671 19.000 0.009 0.000 0.808 308 A HN 0.584 nan 8.150 nan 0.000 0.449 309 S N -1.483 114.152 115.700 -0.109 0.000 2.506 309 S HA 0.417 4.887 4.470 -0.001 0.000 0.219 309 S C 1.968 176.455 174.600 -0.189 0.000 1.031 309 S CA 0.699 58.837 58.200 -0.103 0.000 0.911 309 S CB -0.188 62.994 63.200 -0.029 0.000 0.812 309 S HN 0.672 nan 8.310 nan 0.000 0.497 310 A N 2.012 124.575 122.820 -0.429 0.000 1.933 310 A HA 0.391 4.710 4.320 -0.001 0.000 0.218 310 A C 2.049 179.473 177.584 -0.266 0.000 1.175 310 A CA 1.294 53.011 52.037 -0.533 0.000 0.628 310 A CB -1.541 16.661 19.000 -1.330 0.000 0.814 310 A HN 1.624 nan 8.150 nan 0.000 0.444 311 G N -1.082 107.586 108.800 -0.219 0.000 2.147 311 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.244 311 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.244 311 G C 0.174 175.014 174.900 -0.100 0.000 1.005 311 G CA 0.744 45.771 45.100 -0.121 0.000 0.713 311 G HN 1.664 nan 8.290 nan 0.000 0.515 312 I N -4.737 115.750 120.570 -0.138 0.000 3.354 312 I HA 0.746 4.915 4.170 -0.001 0.000 0.316 312 I C -0.129 175.935 176.117 -0.089 0.000 1.182 312 I CA -1.603 59.650 61.300 -0.079 0.000 0.942 312 I CB 1.537 39.513 38.000 -0.040 0.000 1.299 312 I HN 0.058 nan 8.210 nan 0.000 0.473 313 Q N 1.637 121.412 119.800 -0.041 0.000 2.313 313 Q HA 0.448 4.787 4.340 -0.001 0.000 0.266 313 Q C -1.611 174.357 176.000 -0.052 0.000 0.989 313 Q CA -0.368 55.403 55.803 -0.053 0.000 0.890 313 Q CB 1.223 29.962 28.738 0.003 0.000 1.200 313 Q HN 0.586 nan 8.270 nan 0.000 0.396 314 V N 5.519 125.385 119.914 -0.080 0.000 2.376 314 V HA 0.285 4.405 4.120 -0.001 0.000 0.287 314 V C -0.538 175.538 176.094 -0.031 0.000 1.015 314 V CA -0.765 61.520 62.300 -0.025 0.000 0.834 314 V CB 1.680 33.522 31.823 0.033 0.000 1.001 314 V HN 0.620 nan 8.190 nan 0.000 0.428 315 V N 3.936 123.858 119.914 0.013 0.000 2.407 315 V HA 0.633 4.752 4.120 -0.001 0.000 0.278 315 V C 0.923 177.112 176.094 0.159 0.000 1.037 315 V CA -0.344 61.969 62.300 0.023 0.000 0.900 315 V CB 1.499 33.331 31.823 0.015 0.000 0.983 315 V HN 0.896 nan 8.190 nan 0.000 0.459 316 G N 2.063 110.885 108.800 0.036 0.000 2.338 316 G HA2 0.453 4.413 3.960 -0.001 0.000 0.298 316 G HA3 0.453 4.413 3.960 -0.001 0.000 0.298 316 G C -0.135 174.775 174.900 0.017 0.000 1.140 316 G CA -0.055 45.025 45.100 -0.033 0.000 0.860 316 G HN 0.753 nan 8.290 nan 0.000 0.470 317 D N 0.493 120.918 120.400 0.041 0.000 3.074 317 D HA -0.013 4.627 4.640 -0.001 0.000 0.227 317 D C 1.366 177.674 176.300 0.014 0.000 1.553 317 D CA 0.073 54.097 54.000 0.041 0.000 1.347 317 D CB 0.143 40.979 40.800 0.059 0.000 1.021 317 D HN 0.177 nan 8.370 nan 0.000 0.260 318 D N 0.388 120.802 120.400 0.023 0.000 2.264 318 D HA -0.078 4.562 4.640 -0.001 0.000 0.208 318 D C 2.062 178.341 176.300 -0.034 0.000 0.966 318 D CA 0.269 54.282 54.000 0.022 0.000 0.864 318 D CB 0.036 40.850 40.800 0.024 0.000 0.933 318 D HN 0.181 nan 8.370 nan 0.000 0.499 319 L N 0.825 121.939 121.223 -0.180 0.000 2.017 319 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 319 L C 2.228 178.894 176.870 -0.341 0.000 1.073 319 L CA 2.058 56.595 54.840 -0.505 0.000 0.745 319 L CB -0.713 40.638 42.059 -1.180 0.000 0.894 319 L HN 0.081 nan 8.230 nan 0.000 0.432 320 T N -3.761 110.676 114.554 -0.194 0.000 3.037 320 T HA 0.097 4.446 4.350 -0.001 0.000 0.252 320 T C 1.011 175.708 174.700 -0.004 0.000 1.073 320 T CA 0.428 62.493 62.100 -0.059 0.000 1.091 320 T CB -0.686 68.204 68.868 0.037 0.000 0.935 320 T HN 0.654 nan 8.240 nan 0.000 0.488 321 V N 0.512 120.435 119.914 0.014 0.000 5.257 321 V HA -0.270 3.850 4.120 -0.001 0.000 0.265 321 V C 0.465 176.582 176.094 0.040 0.000 0.646 321 V CA 0.779 63.106 62.300 0.045 0.000 0.650 321 V CB -3.578 28.295 31.823 0.084 0.000 0.424 321 V HN 0.719 nan 8.190 nan 0.000 0.862 322 T N -1.114 113.465 114.554 0.042 0.000 3.830 322 T HA -0.281 4.069 4.350 -0.001 0.000 0.351 322 T C 0.309 175.021 174.700 0.021 0.000 0.758 322 T CA 1.638 63.761 62.100 0.039 0.000 1.857 322 T CB -1.489 67.403 68.868 0.040 0.000 1.864 322 T HN 1.306 nan 8.240 nan 0.000 0.772 323 N N 0.616 119.324 118.700 0.013 0.000 2.476 323 N HA 0.299 5.038 4.740 -0.001 0.000 0.257 323 N C -1.849 173.646 175.510 -0.025 0.000 0.970 323 N CA -2.367 50.681 53.050 -0.004 0.000 0.938 323 N CB 2.117 40.605 38.487 0.001 0.000 1.144 323 N HN -0.095 nan 8.380 nan 0.000 0.500 324 P HA -0.162 nan 4.420 nan 0.000 0.217 324 P C 0.676 177.932 177.300 -0.072 0.000 1.151 324 P CA 1.702 64.763 63.100 -0.065 0.000 0.849 324 P CB 0.464 32.128 31.700 -0.060 0.000 0.787 325 K N -1.005 119.360 120.400 -0.059 0.000 2.103 325 K HA -0.043 4.277 4.320 -0.001 0.000 0.204 325 K C 2.230 178.790 176.600 -0.067 0.000 1.052 325 K CA 0.946 57.193 56.287 -0.067 0.000 0.945 325 K CB -0.150 32.314 32.500 -0.061 0.000 0.722 325 K HN 0.033 nan 8.250 nan 0.000 0.443 326 R N 0.766 121.237 120.500 -0.048 0.000 2.073 326 R HA -0.000 4.339 4.340 -0.001 0.000 0.229 326 R C 2.307 178.634 176.300 0.046 0.000 1.120 326 R CA 1.049 57.146 56.100 -0.006 0.000 0.967 326 R CB -0.557 29.729 30.300 -0.023 0.000 0.862 326 R HN 0.235 nan 8.270 nan 0.000 0.436 327 I N 1.138 121.706 120.570 -0.003 0.000 2.208 327 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 327 I C 2.632 178.671 176.117 -0.129 0.000 1.097 327 I CA 1.409 62.678 61.300 -0.051 0.000 1.363 327 I CB -0.487 37.416 38.000 -0.161 0.000 1.051 327 I HN 0.098 nan 8.210 nan 0.000 0.413 328 A N 0.719 123.463 122.820 -0.126 0.000 1.908 328 A HA -0.294 4.026 4.320 -0.001 0.000 0.218 328 A C 2.405 179.939 177.584 -0.083 0.000 1.181 328 A CA 2.181 54.139 52.037 -0.132 0.000 0.627 328 A CB -0.577 18.354 19.000 -0.115 0.000 0.818 328 A HN 0.405 nan 8.150 nan 0.000 0.445 329 K N -0.427 119.935 120.400 -0.064 0.000 2.025 329 K HA -0.047 4.272 4.320 -0.001 0.000 0.207 329 K C 2.178 178.814 176.600 0.059 0.000 1.049 329 K CA 1.217 57.446 56.287 -0.097 0.000 0.933 329 K CB -0.371 31.969 32.500 -0.268 0.000 0.714 329 K HN 0.335 nan 8.250 nan 0.000 0.438 330 A N 1.153 124.127 122.820 0.256 0.000 1.908 330 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 330 A C 2.280 180.137 177.584 0.455 0.000 1.181 330 A CA 1.990 54.307 52.037 0.467 0.000 0.627 330 A CB -0.980 18.331 19.000 0.519 0.000 0.818 330 A HN 0.350 nan 8.150 nan 0.000 0.445 331 V N -1.415 118.659 119.914 0.266 0.000 2.307 331 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 331 V C 1.927 178.113 176.094 0.153 0.000 1.045 331 V CA 2.309 64.733 62.300 0.206 0.000 1.024 331 V CB -1.167 30.529 31.823 -0.212 0.000 0.651 331 V HN 0.497 nan 8.190 nan 0.000 0.449 332 N N 1.004 119.741 118.700 0.061 0.000 2.094 332 N HA -0.191 4.549 4.740 -0.001 0.000 0.191 332 N C 1.804 177.353 175.510 0.065 0.000 1.023 332 N CA 2.255 55.323 53.050 0.031 0.000 0.857 332 N CB -0.301 38.170 38.487 -0.025 0.000 1.013 332 N HN 0.725 nan 8.380 nan 0.000 0.426 333 E N 0.644 120.908 120.200 0.105 0.000 2.479 333 E HA 0.062 4.412 4.350 -0.001 0.000 0.193 333 E C -0.293 176.415 176.600 0.179 0.000 1.049 333 E CA -0.090 56.387 56.400 0.129 0.000 0.870 333 E CB 0.195 29.988 29.700 0.156 0.000 0.944 333 E HN 0.228 nan 8.360 nan 0.000 0.492 334 K N 0.230 120.755 120.400 0.209 0.000 3.077 334 K HA -0.207 4.112 4.320 -0.001 0.000 0.264 334 K C 0.800 177.520 176.600 0.201 0.000 1.008 334 K CA 0.291 56.704 56.287 0.210 0.000 0.740 334 K CB -1.623 30.962 32.500 0.141 0.000 1.273 334 K HN 0.049 nan 8.250 nan 0.000 0.477 335 S N -0.873 114.978 115.700 0.252 0.000 2.382 335 S HA -0.122 4.347 4.470 -0.001 0.000 0.228 335 S C 1.280 176.004 174.600 0.207 0.000 1.027 335 S CA 1.072 59.414 58.200 0.237 0.000 0.991 335 S CB -0.416 62.869 63.200 0.141 0.000 0.823 335 S HN 0.714 nan 8.310 nan 0.000 0.469 336 C N 0.457 119.748 119.300 -0.015 0.000 3.292 336 C HA 0.635 5.095 4.460 -0.001 0.000 0.369 336 C C -0.146 174.436 174.990 -0.679 0.000 1.664 336 C CA -0.756 58.137 59.018 -0.207 0.000 1.204 336 C CB 0.972 28.574 27.740 -0.230 0.000 1.978 336 C HN 0.534 nan 8.230 nan 0.000 0.435 337 N N -1.201 117.022 118.700 -0.795 0.000 2.232 337 N HA 0.360 5.100 4.740 -0.001 0.000 0.240 337 N C -0.612 174.422 175.510 -0.793 0.000 1.307 337 N CA -0.054 52.417 53.050 -0.964 0.000 0.859 337 N CB 1.062 39.332 38.487 -0.361 0.000 1.260 337 N HN 0.897 nan 8.380 nan 0.000 0.501 338 C N 1.040 119.875 119.300 -0.774 0.000 3.090 338 C HA 0.602 5.061 4.460 -0.001 0.000 0.347 338 C C -1.625 173.289 174.990 -0.127 0.000 1.147 338 C CA -0.863 58.018 59.018 -0.228 0.000 1.305 338 C CB 1.238 28.915 27.740 -0.104 0.000 1.692 338 C HN 0.411 nan 8.230 nan 0.000 0.506 339 L N 5.148 126.490 121.223 0.198 0.000 2.307 339 L HA 0.780 5.120 4.340 -0.001 0.000 0.284 339 L C -0.779 176.171 176.870 0.133 0.000 1.023 339 L CA -0.217 54.773 54.840 0.249 0.000 0.810 339 L CB 1.392 43.682 42.059 0.385 0.000 1.231 339 L HN 0.741 nan 8.230 nan 0.000 0.423 340 L N 5.310 126.592 121.223 0.098 0.000 2.281 340 L HA 0.439 4.779 4.340 -0.001 0.000 0.285 340 L C -0.876 176.044 176.870 0.083 0.000 1.074 340 L CA -0.008 54.880 54.840 0.080 0.000 0.817 340 L CB 1.095 43.197 42.059 0.070 0.000 1.168 340 L HN 0.727 nan 8.230 nan 0.000 0.434 341 L N 6.240 127.509 121.223 0.078 0.000 2.259 341 L HA 0.416 4.756 4.340 -0.001 0.000 0.288 341 L C -0.629 176.285 176.870 0.073 0.000 1.051 341 L CA 0.174 55.058 54.840 0.073 0.000 0.824 341 L CB 0.144 42.244 42.059 0.068 0.000 1.206 341 L HN 0.552 nan 8.230 nan 0.000 0.429 342 K N 4.185 124.625 120.400 0.066 0.000 2.521 342 K HA 0.219 4.539 4.320 -0.001 0.000 0.248 342 K C 1.086 177.714 176.600 0.047 0.000 0.978 342 K CA -0.354 55.971 56.287 0.063 0.000 0.947 342 K CB 1.726 34.262 32.500 0.060 0.000 1.165 342 K HN 0.546 nan 8.250 nan 0.000 0.445 343 V N 0.279 120.222 119.914 0.048 0.000 2.370 343 V HA -0.332 3.788 4.120 -0.001 0.000 0.252 343 V C 1.660 177.752 176.094 -0.002 0.000 1.068 343 V CA 2.137 64.449 62.300 0.020 0.000 1.061 343 V CB -0.580 31.239 31.823 -0.006 0.000 0.656 343 V HN 0.876 nan 8.190 nan 0.000 0.455 344 N N 0.232 118.931 118.700 -0.000 0.000 2.461 344 N HA -0.110 4.630 4.740 -0.001 0.000 0.188 344 N C 1.670 177.184 175.510 0.006 0.000 1.134 344 N CA 1.084 54.129 53.050 -0.007 0.000 0.878 344 N CB -0.191 38.288 38.487 -0.014 0.000 0.972 344 N HN 0.724 nan 8.380 nan 0.000 0.456 345 Q N -0.377 119.434 119.800 0.018 0.000 2.389 345 Q HA 0.091 4.430 4.340 -0.001 0.000 0.204 345 Q C 1.125 177.140 176.000 0.025 0.000 0.944 345 Q CA 0.631 56.450 55.803 0.027 0.000 0.908 345 Q CB 0.316 29.077 28.738 0.038 0.000 1.002 345 Q HN 0.348 nan 8.270 nan 0.000 0.493 346 I N -2.151 118.428 120.570 0.015 0.000 4.124 346 I HA 0.228 4.398 4.170 -0.001 0.000 0.311 346 I C 0.989 177.106 176.117 0.000 0.000 1.259 346 I CA 1.142 62.448 61.300 0.010 0.000 1.315 346 I CB 1.114 39.119 38.000 0.009 0.000 1.223 346 I HN 0.153 nan 8.210 nan 0.000 0.441 347 G N 0.748 109.545 108.800 -0.006 0.000 2.179 347 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.220 347 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.220 347 G C 0.287 175.173 174.900 -0.023 0.000 0.990 347 G CA 0.306 45.398 45.100 -0.014 0.000 0.646 347 G HN 0.991 nan 8.290 nan 0.000 0.517 348 S N -1.805 113.880 115.700 -0.025 0.000 2.550 348 S HA 0.664 5.133 4.470 -0.001 0.000 0.270 348 S C 0.763 175.346 174.600 -0.029 0.000 1.145 348 S CA 0.129 58.310 58.200 -0.032 0.000 0.852 348 S CB 1.866 65.057 63.200 -0.016 0.000 1.119 348 S HN 0.835 nan 8.310 nan 0.000 0.465 349 V N 1.908 121.801 119.914 -0.036 0.000 2.358 349 V HA -0.137 3.983 4.120 -0.001 0.000 0.246 349 V C 2.720 178.824 176.094 0.017 0.000 1.047 349 V CA 2.646 64.948 62.300 0.003 0.000 1.035 349 V CB -1.365 30.475 31.823 0.027 0.000 0.658 349 V HN 1.033 nan 8.190 nan 0.000 0.452 350 T N -0.191 114.364 114.554 0.002 0.000 2.684 350 T HA -0.240 4.110 4.350 -0.001 0.000 0.267 350 T C 1.803 176.499 174.700 -0.007 0.000 1.036 350 T CA 1.913 64.010 62.100 -0.005 0.000 1.148 350 T CB -0.270 68.593 68.868 -0.008 0.000 0.863 350 T HN 0.601 nan 8.240 nan 0.000 0.436 351 E N 0.691 120.887 120.200 -0.007 0.000 2.150 351 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 351 E C 2.567 179.165 176.600 -0.004 0.000 0.985 351 E CA 0.948 57.342 56.400 -0.010 0.000 0.814 351 E CB -0.059 29.635 29.700 -0.010 0.000 0.752 351 E HN 0.313 nan 8.360 nan 0.000 0.466 352 S N 0.914 116.618 115.700 0.008 0.000 2.368 352 S HA -0.080 4.390 4.470 -0.001 0.000 0.224 352 S C 1.975 176.586 174.600 0.018 0.000 1.029 352 S CA 0.694 58.907 58.200 0.022 0.000 0.988 352 S CB -0.109 63.117 63.200 0.043 0.000 0.838 352 S HN 0.206 nan 8.310 nan 0.000 0.462 353 L N 1.366 122.598 121.223 0.015 0.000 2.046 353 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 353 L C 2.677 179.539 176.870 -0.015 0.000 1.077 353 L CA 1.345 56.186 54.840 0.002 0.000 0.747 353 L CB -0.792 41.262 42.059 -0.008 0.000 0.896 353 L HN 0.410 nan 8.230 nan 0.000 0.432 354 Q N -0.172 119.616 119.800 -0.020 0.000 2.124 354 Q HA -0.182 4.158 4.340 -0.001 0.000 0.202 354 Q C 2.411 178.386 176.000 -0.043 0.000 0.977 354 Q CA 1.588 57.371 55.803 -0.034 0.000 0.850 354 Q CB -0.231 28.486 28.738 -0.034 0.000 0.901 354 Q HN 0.551 nan 8.270 nan 0.000 0.429 355 A N 0.396 123.198 122.820 -0.031 0.000 1.898 355 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 355 A C 2.306 179.869 177.584 -0.035 0.000 1.181 355 A CA 1.294 53.309 52.037 -0.036 0.000 0.620 355 A CB -1.177 17.818 19.000 -0.008 0.000 0.819 355 A HN 0.566 nan 8.150 nan 0.000 0.442 356 C N -0.145 119.148 119.300 -0.010 0.000 2.436 356 C HA -0.086 4.374 4.460 -0.001 0.000 0.277 356 C C 2.681 177.655 174.990 -0.025 0.000 1.241 356 C CA 1.608 60.627 59.018 0.001 0.000 1.721 356 C CB -0.904 26.842 27.740 0.010 0.000 2.043 356 C HN 0.521 nan 8.230 nan 0.000 0.472 357 K N 0.514 120.892 120.400 -0.038 0.000 2.147 357 K HA -0.096 4.224 4.320 -0.001 0.000 0.205 357 K C 1.788 178.338 176.600 -0.083 0.000 1.049 357 K CA 0.971 57.227 56.287 -0.051 0.000 0.936 357 K CB -0.953 31.519 32.500 -0.047 0.000 0.722 357 K HN 0.538 nan 8.250 nan 0.000 0.446 358 L N 1.187 122.345 121.223 -0.108 0.000 2.027 358 L HA -0.070 4.270 4.340 -0.001 0.000 0.206 358 L C 2.244 178.964 176.870 -0.250 0.000 1.074 358 L CA 1.932 56.672 54.840 -0.167 0.000 0.745 358 L CB -0.877 41.074 42.059 -0.179 0.000 0.898 358 L HN 0.139 nan 8.230 nan 0.000 0.433 359 A N -1.037 121.629 122.820 -0.255 0.000 1.883 359 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 359 A C 2.207 179.700 177.584 -0.152 0.000 1.186 359 A CA 2.026 53.866 52.037 -0.329 0.000 0.624 359 A CB -0.688 18.287 19.000 -0.043 0.000 0.822 359 A HN 0.667 nan 8.150 nan 0.000 0.444 360 Q N -0.824 118.941 119.800 -0.058 0.000 2.084 360 Q HA -0.090 4.250 4.340 -0.001 0.000 0.202 360 Q C 2.425 178.397 176.000 -0.047 0.000 0.978 360 Q CA 1.310 57.101 55.803 -0.019 0.000 0.844 360 Q CB -0.401 28.329 28.738 -0.013 0.000 0.898 360 Q HN 0.690 nan 8.270 nan 0.000 0.426 361 A N 1.476 124.248 122.820 -0.081 0.000 1.940 361 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 361 A C 1.667 179.200 177.584 -0.086 0.000 1.176 361 A CA 1.396 53.386 52.037 -0.077 0.000 0.631 361 A CB -0.362 18.585 19.000 -0.088 0.000 0.814 361 A HN 0.298 nan 8.150 nan 0.000 0.446 362 N N -0.934 117.680 118.700 -0.142 0.000 2.461 362 N HA 0.097 4.837 4.740 -0.001 0.000 0.188 362 N C 1.125 176.615 175.510 -0.033 0.000 1.134 362 N CA 1.017 53.978 53.050 -0.147 0.000 0.878 362 N CB 0.355 38.638 38.487 -0.340 0.000 0.972 362 N HN 0.666 nan 8.380 nan 0.000 0.456 363 G N -0.093 108.716 108.800 0.014 0.000 2.176 363 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.253 363 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.253 363 G C -0.239 174.797 174.900 0.228 0.000 0.979 363 G CA -0.225 44.932 45.100 0.095 0.000 0.641 363 G HN 0.175 nan 8.290 nan 0.000 0.530 364 W N 0.788 122.073 121.300 -0.026 0.000 2.129 364 W HA 0.637 5.297 4.660 -0.000 0.000 0.349 364 W C 1.105 177.604 176.519 -0.033 0.000 1.279 364 W CA 0.012 57.343 57.345 -0.023 0.000 1.306 364 W CB 0.327 29.780 29.460 -0.012 0.000 1.140 364 W HN 0.414 nan 8.180 nan 0.000 0.613 365 G N -0.064 108.846 108.800 0.184 0.000 2.557 365 G HA2 0.569 4.529 3.960 -0.001 0.000 0.292 365 G HA3 0.569 4.529 3.960 -0.001 0.000 0.292 365 G C -1.609 173.373 174.900 0.138 0.000 1.237 365 G CA -0.596 44.554 45.100 0.083 0.000 0.978 365 G HN 0.280 nan 8.290 nan 0.000 0.498 366 V N 0.529 120.498 119.914 0.092 0.000 2.711 366 V HA 0.436 4.556 4.120 -0.001 0.000 0.304 366 V C -0.455 175.682 176.094 0.072 0.000 1.097 366 V CA -0.495 61.865 62.300 0.100 0.000 0.906 366 V CB 1.817 33.692 31.823 0.087 0.000 1.015 366 V HN 0.838 nan 8.190 nan 0.000 0.427 367 M N 5.455 125.098 119.600 0.071 0.000 2.125 367 M HA 0.613 5.093 4.480 -0.001 0.000 0.321 367 M C -1.202 175.126 176.300 0.046 0.000 0.983 367 M CA -0.484 54.849 55.300 0.055 0.000 0.934 367 M CB 1.503 34.136 32.600 0.055 0.000 1.542 367 M HN 0.476 nan 8.290 nan 0.000 0.424 368 V N 3.673 123.603 119.914 0.028 0.000 2.637 368 V HA 0.337 4.457 4.120 -0.001 0.000 0.296 368 V C 0.170 176.274 176.094 0.015 0.000 1.046 368 V CA 0.070 62.386 62.300 0.026 0.000 1.066 368 V CB 1.297 33.124 31.823 0.007 0.000 0.968 368 V HN 0.911 nan 8.190 nan 0.000 0.483 369 S N 2.567 118.297 115.700 0.051 0.000 2.569 369 S HA 0.566 5.035 4.470 -0.001 0.000 0.280 369 S C -0.469 174.228 174.600 0.162 0.000 1.111 369 S CA -0.822 57.431 58.200 0.088 0.000 0.887 369 S CB 1.212 64.500 63.200 0.147 0.000 1.095 369 S HN 0.974 nan 8.310 nan 0.000 0.476 370 H N 1.524 120.594 119.070 -0.000 0.000 2.417 370 H HA 0.735 5.291 4.556 -0.001 0.000 0.325 370 H C -0.209 175.123 175.328 0.006 0.000 1.549 370 H CA -1.145 54.899 56.048 -0.007 0.000 1.476 370 H CB 0.420 30.164 29.762 -0.031 0.000 1.732 370 H HN 0.278 nan 8.280 nan 0.000 0.695 371 R N -0.365 120.081 120.500 -0.089 0.000 2.892 371 R HA 0.139 4.479 4.340 -0.001 0.000 0.265 371 R C 1.071 177.111 176.300 -0.433 0.000 1.025 371 R CA -0.377 55.606 56.100 -0.194 0.000 0.982 371 R CB 1.519 31.769 30.300 -0.084 0.000 1.185 371 R HN 0.914 nan 8.270 nan 0.000 0.484 372 S N -0.824 114.634 115.700 -0.402 0.000 2.419 372 S HA -0.040 4.430 4.470 -0.001 0.000 0.233 372 S C 1.058 175.474 174.600 -0.307 0.000 1.016 372 S CA 0.707 58.594 58.200 -0.521 0.000 0.974 372 S CB -0.053 62.656 63.200 -0.818 0.000 0.786 372 S HN 0.661 nan 8.310 nan 0.000 0.492 373 G N 1.459 110.142 108.800 -0.194 0.000 2.428 373 G HA2 0.549 4.509 3.960 -0.001 0.000 0.320 373 G HA3 0.549 4.509 3.960 -0.001 0.000 0.320 373 G C -0.423 174.429 174.900 -0.081 0.000 1.098 373 G CA -0.450 44.585 45.100 -0.108 0.000 0.984 373 G HN 0.102 nan 8.290 nan 0.000 0.444 374 E N 0.374 120.540 120.200 -0.057 0.000 2.396 374 E HA 0.693 5.042 4.350 -0.001 0.000 0.251 374 E C 0.293 176.893 176.600 -0.000 0.000 0.949 374 E CA -0.442 55.945 56.400 -0.021 0.000 0.834 374 E CB 2.165 31.867 29.700 0.003 0.000 1.309 374 E HN 0.579 nan 8.360 nan 0.000 0.405 375 T N -2.890 111.671 114.554 0.012 0.000 2.716 375 T HA 0.218 4.567 4.350 -0.001 0.000 0.286 375 T C 0.664 175.380 174.700 0.027 0.000 1.052 375 T CA -0.660 61.452 62.100 0.020 0.000 1.024 375 T CB 0.950 69.825 68.868 0.012 0.000 1.349 375 T HN 0.400 nan 8.240 nan 0.000 0.525 376 E N 0.315 120.533 120.200 0.030 0.000 2.516 376 E HA -0.053 4.297 4.350 -0.001 0.000 0.199 376 E C 0.177 176.798 176.600 0.034 0.000 1.069 376 E CA 0.039 56.458 56.400 0.031 0.000 0.876 376 E CB -0.320 29.399 29.700 0.032 0.000 0.843 376 E HN 0.734 nan 8.360 nan 0.000 0.530 377 D N 1.995 122.417 120.400 0.037 0.000 2.443 377 D HA -0.036 4.604 4.640 -0.001 0.000 0.239 377 D C 0.318 176.656 176.300 0.063 0.000 1.136 377 D CA 0.945 54.978 54.000 0.055 0.000 0.879 377 D CB 1.020 41.851 40.800 0.053 0.000 1.195 377 D HN 0.148 nan 8.370 nan 0.000 0.443 378 T N 0.878 115.481 114.554 0.081 0.000 3.200 378 T HA 0.030 4.380 4.350 -0.001 0.000 0.284 378 T C 1.500 176.248 174.700 0.080 0.000 1.009 378 T CA -0.592 61.540 62.100 0.054 0.000 0.907 378 T CB -0.495 68.387 68.868 0.023 0.000 1.120 378 T HN 0.392 nan 8.240 nan 0.000 0.534 379 F N 3.383 123.331 119.950 -0.003 0.000 2.087 379 F HA -0.131 4.396 4.527 -0.001 0.000 0.299 379 F C 1.816 177.613 175.800 -0.005 0.000 1.100 379 F CA 2.108 60.111 58.000 0.005 0.000 1.226 379 F CB -0.252 38.752 39.000 0.007 0.000 0.983 379 F HN 0.386 nan 8.300 nan 0.000 0.479 380 I N -1.326 119.339 120.570 0.159 0.000 2.756 380 I HA -0.059 4.110 4.170 -0.001 0.000 0.262 380 I C 2.164 178.226 176.117 -0.091 0.000 1.225 380 I CA 1.179 62.505 61.300 0.044 0.000 1.472 380 I CB -1.123 36.925 38.000 0.080 0.000 1.094 380 I HN 0.145 nan 8.210 nan 0.000 0.454 381 A N 1.877 124.628 122.820 -0.115 0.000 1.872 381 A HA -0.175 4.145 4.320 -0.001 0.000 0.214 381 A C 1.796 179.285 177.584 -0.157 0.000 1.187 381 A CA 2.064 54.013 52.037 -0.147 0.000 0.614 381 A CB -0.803 18.117 19.000 -0.133 0.000 0.826 381 A HN 0.470 nan 8.150 nan 0.000 0.442 382 D N -0.641 119.660 120.400 -0.165 0.000 2.178 382 D HA -0.086 4.554 4.640 -0.001 0.000 0.202 382 D C 1.771 177.958 176.300 -0.189 0.000 0.974 382 D CA 0.897 54.825 54.000 -0.121 0.000 0.841 382 D CB -0.135 40.580 40.800 -0.142 0.000 0.953 382 D HN 0.316 nan 8.370 nan 0.000 0.478 383 L N 0.359 121.385 121.223 -0.329 0.000 1.989 383 L HA -0.127 4.213 4.340 -0.001 0.000 0.211 383 L C 2.179 178.982 176.870 -0.112 0.000 1.071 383 L CA 1.422 56.111 54.840 -0.251 0.000 0.749 383 L CB -0.724 41.229 42.059 -0.176 0.000 0.890 383 L HN 0.029 nan 8.230 nan 0.000 0.431 384 V N -1.285 118.570 119.914 -0.097 0.000 2.490 384 V HA -0.216 3.904 4.120 -0.001 0.000 0.250 384 V C 2.386 178.433 176.094 -0.079 0.000 1.061 384 V CA 1.812 64.070 62.300 -0.070 0.000 1.064 384 V CB 0.025 31.806 31.823 -0.070 0.000 0.670 384 V HN 0.346 nan 8.190 nan 0.000 0.461 385 V N 0.683 120.532 119.914 -0.110 0.000 2.307 385 V HA -0.096 4.023 4.120 -0.001 0.000 0.245 385 V C 2.683 178.739 176.094 -0.063 0.000 1.045 385 V CA 2.114 64.338 62.300 -0.127 0.000 1.024 385 V CB -1.253 30.429 31.823 -0.235 0.000 0.651 385 V HN 0.629 nan 8.190 nan 0.000 0.449 386 G N -0.725 108.065 108.800 -0.018 0.000 2.443 386 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.219 386 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.219 386 G C 1.454 176.344 174.900 -0.017 0.000 1.131 386 G CA 0.407 45.515 45.100 0.012 0.000 0.775 386 G HN 0.484 nan 8.290 nan 0.000 0.547 387 L N -0.279 120.926 121.223 -0.030 0.000 2.558 387 L HA 0.138 4.477 4.340 -0.001 0.000 0.225 387 L C 1.125 177.983 176.870 -0.021 0.000 1.128 387 L CA -0.433 54.394 54.840 -0.023 0.000 0.868 387 L CB -0.109 41.941 42.059 -0.016 0.000 1.006 387 L HN 0.179 nan 8.230 nan 0.000 0.454 388 C N 0.806 120.089 119.300 -0.028 0.000 4.268 388 C HA -0.191 4.268 4.460 -0.001 0.000 0.299 388 C C 2.263 177.239 174.990 -0.023 0.000 1.429 388 C CA 0.946 59.946 59.018 -0.030 0.000 2.018 388 C CB -2.839 24.887 27.740 -0.024 0.000 1.277 388 C HN 0.730 nan 8.230 nan 0.000 0.767 389 T N -2.847 111.697 114.554 -0.017 0.000 3.055 389 T HA 0.307 4.656 4.350 -0.001 0.000 0.265 389 T C 1.825 176.525 174.700 0.000 0.000 1.111 389 T CA 1.883 63.982 62.100 -0.001 0.000 1.118 389 T CB 0.004 68.881 68.868 0.015 0.000 0.909 389 T HN 2.225 nan 8.240 nan 0.000 0.501 390 G N 1.332 110.125 108.800 -0.012 0.000 2.205 390 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.261 390 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.261 390 G C -0.105 174.817 174.900 0.036 0.000 0.980 390 G CA 0.397 45.490 45.100 -0.011 0.000 0.632 390 G HN 1.054 nan 8.290 nan 0.000 0.533 391 Q N -1.009 118.820 119.800 0.047 0.000 2.340 391 Q HA 0.806 5.146 4.340 -0.001 0.000 0.276 391 Q C -1.075 174.935 176.000 0.017 0.000 1.048 391 Q CA -1.133 54.703 55.803 0.056 0.000 0.832 391 Q CB 2.653 31.477 28.738 0.145 0.000 1.373 391 Q HN 0.751 nan 8.270 nan 0.000 0.409 392 I N 1.523 122.086 120.570 -0.011 0.000 2.692 392 I HA 0.446 4.615 4.170 -0.001 0.000 0.293 392 I C -1.942 174.117 176.117 -0.098 0.000 1.200 392 I CA -0.713 60.559 61.300 -0.047 0.000 1.036 392 I CB 2.271 40.236 38.000 -0.057 0.000 1.258 392 I HN 0.804 nan 8.210 nan 0.000 0.421 393 K N 4.124 124.442 120.400 -0.137 0.000 2.358 393 K HA 0.514 4.833 4.320 -0.001 0.000 0.260 393 K C -0.764 175.523 176.600 -0.523 0.000 0.956 393 K CA -0.576 55.584 56.287 -0.212 0.000 0.834 393 K CB 1.938 34.379 32.500 -0.099 0.000 1.102 393 K HN 0.483 nan 8.250 nan 0.000 0.431 394 T N 1.849 116.038 114.554 -0.608 0.000 3.672 394 T HA 0.383 4.732 4.350 -0.001 0.000 0.296 394 T C -0.071 174.349 174.700 -0.466 0.000 0.979 394 T CA 0.374 61.872 62.100 -1.002 0.000 1.013 394 T CB -0.398 68.090 68.868 -0.633 0.000 1.184 394 T HN 1.172 nan 8.240 nan 0.000 0.477 395 G N 1.025 109.737 108.800 -0.147 0.000 2.541 395 G HA2 0.384 4.344 3.960 -0.001 0.000 0.686 395 G HA3 0.384 4.344 3.960 -0.001 0.000 0.686 395 G C -0.101 175.015 174.900 0.359 0.000 1.286 395 G CA -0.404 44.861 45.100 0.275 0.000 0.894 395 G HN 0.882 nan 8.290 nan 0.000 0.575 396 A N 0.547 123.488 122.820 0.202 0.000 2.327 396 A HA 0.776 5.096 4.320 -0.001 0.000 0.255 396 A C -1.091 176.440 177.584 -0.089 0.000 1.099 396 A CA -0.340 51.706 52.037 0.015 0.000 0.801 396 A CB 0.298 19.179 19.000 -0.199 0.000 1.062 396 A HN 0.852 nan 8.150 nan 0.000 0.496 397 P HA 0.211 nan 4.420 nan 0.000 0.226 397 P C -0.659 176.341 177.300 -0.499 0.000 1.758 397 P CA 0.200 63.009 63.100 -0.484 0.000 0.896 397 P CB -0.588 30.640 31.700 -0.787 0.000 1.784 398 C N 1.334 120.424 119.300 -0.351 0.000 2.880 398 C HA 0.611 5.070 4.460 -0.001 0.000 0.320 398 C C -0.883 174.069 174.990 -0.065 0.000 1.176 398 C CA -0.248 58.629 59.018 -0.236 0.000 1.390 398 C CB 0.529 28.046 27.740 -0.373 0.000 1.846 398 C HN 0.525 nan 8.230 nan 0.000 0.478 399 R N 4.004 124.499 120.500 -0.008 0.000 1.210 399 R HA -0.094 4.246 4.340 -0.001 0.000 0.422 399 R C 0.685 177.009 176.300 0.039 0.000 1.319 399 R CA 0.601 56.713 56.100 0.021 0.000 0.951 399 R CB -1.356 28.955 30.300 0.019 0.000 3.017 399 R HN 0.919 nan 8.270 nan 0.000 0.506 400 S N 1.684 117.409 115.700 0.042 0.000 2.500 400 S HA -0.157 4.313 4.470 -0.001 0.000 0.239 400 S C 1.614 176.241 174.600 0.046 0.000 0.989 400 S CA 1.376 59.606 58.200 0.049 0.000 0.951 400 S CB -0.083 63.144 63.200 0.044 0.000 0.759 400 S HN 0.707 nan 8.310 nan 0.000 0.523 401 E N 1.145 121.370 120.200 0.040 0.000 2.516 401 E HA -0.079 4.271 4.350 -0.001 0.000 0.199 401 E C 1.305 177.927 176.600 0.037 0.000 1.069 401 E CA 0.443 56.864 56.400 0.035 0.000 0.876 401 E CB 0.011 29.730 29.700 0.031 0.000 0.843 401 E HN 0.346 nan 8.360 nan 0.000 0.530 402 R N 0.379 120.910 120.500 0.052 0.000 2.084 402 R HA 0.271 4.610 4.340 -0.001 0.000 0.209 402 R C 2.672 178.992 176.300 0.035 0.000 1.173 402 R CA 0.279 56.406 56.100 0.045 0.000 1.053 402 R CB -0.907 29.484 30.300 0.152 0.000 0.948 402 R HN 0.165 nan 8.270 nan 0.000 0.460 403 L N 1.476 122.795 121.223 0.159 0.000 2.187 403 L HA -0.090 4.250 4.340 -0.001 0.000 0.213 403 L C 2.549 179.497 176.870 0.130 0.000 1.100 403 L CA 1.326 56.302 54.840 0.228 0.000 0.765 403 L CB -0.654 41.498 42.059 0.156 0.000 0.904 403 L HN 0.160 nan 8.230 nan 0.000 0.437 404 A N 0.085 122.939 122.820 0.057 0.000 1.908 404 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 404 A C 2.309 179.895 177.584 0.004 0.000 1.181 404 A CA 1.878 53.937 52.037 0.036 0.000 0.627 404 A CB -0.303 18.712 19.000 0.024 0.000 0.818 404 A HN 0.234 nan 8.150 nan 0.000 0.445 405 K N -1.111 119.240 120.400 -0.080 0.000 2.062 405 K HA -0.036 4.283 4.320 -0.001 0.000 0.205 405 K C 1.693 178.216 176.600 -0.128 0.000 1.051 405 K CA 1.469 57.654 56.287 -0.169 0.000 0.941 405 K CB -0.560 31.739 32.500 -0.334 0.000 0.719 405 K HN 0.576 nan 8.250 nan 0.000 0.440 406 Y N 1.396 121.754 120.300 0.097 0.000 2.224 406 Y HA -0.135 4.415 4.550 -0.001 0.000 0.289 406 Y C 1.835 177.848 175.900 0.188 0.000 1.146 406 Y CA 0.939 59.164 58.100 0.209 0.000 1.182 406 Y CB -0.533 38.084 38.460 0.260 0.000 0.983 406 Y HN 0.125 nan 8.280 nan 0.000 0.524 407 N N -0.051 118.801 118.700 0.253 0.000 2.188 407 N HA -0.174 4.565 4.740 -0.001 0.000 0.184 407 N C 1.881 177.451 175.510 0.100 0.000 1.018 407 N CA 1.278 54.429 53.050 0.168 0.000 0.858 407 N CB -0.468 38.089 38.487 0.116 0.000 0.989 407 N HN 0.350 nan 8.380 nan 0.000 0.426 408 Q N 0.939 120.770 119.800 0.052 0.000 2.119 408 Q HA 0.068 4.408 4.340 -0.001 0.000 0.201 408 Q C 1.977 177.947 176.000 -0.051 0.000 0.972 408 Q CA 1.033 56.840 55.803 0.007 0.000 0.847 408 Q CB -0.310 28.421 28.738 -0.011 0.000 0.903 408 Q HN 0.365 nan 8.270 nan 0.000 0.433 409 L N -0.492 120.660 121.223 -0.118 0.000 2.093 409 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 409 L C 2.269 178.963 176.870 -0.294 0.000 1.085 409 L CA 0.829 55.441 54.840 -0.380 0.000 0.755 409 L CB -0.393 41.182 42.059 -0.808 0.000 0.904 409 L HN 0.285 nan 8.230 nan 0.000 0.435 410 L N -0.648 120.580 121.223 0.008 0.000 2.046 410 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 410 L C 2.838 179.735 176.870 0.046 0.000 1.077 410 L CA 1.319 56.244 54.840 0.142 0.000 0.747 410 L CB -0.441 41.742 42.059 0.207 0.000 0.896 410 L HN 0.219 nan 8.230 nan 0.000 0.432 411 R N -0.139 120.377 120.500 0.027 0.000 2.092 411 R HA -0.110 4.229 4.340 -0.001 0.000 0.231 411 R C 2.242 178.549 176.300 0.011 0.000 1.119 411 R CA 1.217 57.334 56.100 0.028 0.000 0.970 411 R CB -0.349 29.975 30.300 0.039 0.000 0.864 411 R HN 0.360 nan 8.270 nan 0.000 0.440 412 I N 0.649 121.193 120.570 -0.044 0.000 2.252 412 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 412 I C 2.616 178.643 176.117 -0.149 0.000 1.102 412 I CA 1.266 62.498 61.300 -0.113 0.000 1.385 412 I CB -0.277 37.547 38.000 -0.294 0.000 1.064 412 I HN 0.247 nan 8.210 nan 0.000 0.414 413 E N 1.242 121.365 120.200 -0.128 0.000 2.058 413 E HA -0.320 4.030 4.350 -0.001 0.000 0.194 413 E C 2.131 178.720 176.600 -0.019 0.000 0.997 413 E CA 1.748 58.107 56.400 -0.067 0.000 0.801 413 E CB -0.081 29.621 29.700 0.005 0.000 0.746 413 E HN 0.449 nan 8.360 nan 0.000 0.450 414 E N 0.446 120.649 120.200 0.005 0.000 2.058 414 E HA -0.293 4.057 4.350 -0.001 0.000 0.194 414 E C 2.100 178.715 176.600 0.025 0.000 0.997 414 E CA 1.539 57.952 56.400 0.021 0.000 0.801 414 E CB -0.134 29.584 29.700 0.030 0.000 0.746 414 E HN 0.358 nan 8.360 nan 0.000 0.450 415 E N 0.198 120.419 120.200 0.034 0.000 2.153 415 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 415 E C 2.173 178.810 176.600 0.061 0.000 0.988 415 E CA 0.762 57.200 56.400 0.064 0.000 0.811 415 E CB -0.041 29.730 29.700 0.120 0.000 0.746 415 E HN 0.357 nan 8.360 nan 0.000 0.466 416 L N 0.059 121.296 121.223 0.024 0.000 2.376 416 L HA 0.056 4.396 4.340 -0.001 0.000 0.219 416 L C 1.384 178.266 176.870 0.021 0.000 1.133 416 L CA 0.388 55.237 54.840 0.015 0.000 0.816 416 L CB -0.608 41.418 42.059 -0.054 0.000 0.933 416 L HN 0.382 nan 8.230 nan 0.000 0.449 417 G N 0.102 108.914 108.800 0.020 0.000 2.598 417 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.244 417 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.244 417 G C 0.780 175.692 174.900 0.019 0.000 1.302 417 G CA 0.202 45.315 45.100 0.021 0.000 0.903 417 G HN 0.334 nan 8.290 nan 0.000 0.575 418 S N -0.472 115.240 115.700 0.020 0.000 2.442 418 S HA -0.033 4.436 4.470 -0.001 0.000 0.236 418 S C 1.734 176.348 174.600 0.023 0.000 1.007 418 S CA 1.843 60.055 58.200 0.021 0.000 0.965 418 S CB -0.022 63.190 63.200 0.019 0.000 0.773 418 S HN 0.643 nan 8.310 nan 0.000 0.504 419 K N 1.860 122.274 120.400 0.023 0.000 2.487 419 K HA 0.384 4.704 4.320 -0.001 0.000 0.192 419 K C 0.771 177.386 176.600 0.024 0.000 1.027 419 K CA 0.416 56.717 56.287 0.024 0.000 1.054 419 K CB -0.603 31.911 32.500 0.023 0.000 0.824 419 K HN 0.541 nan 8.250 nan 0.000 0.510 420 A N 1.866 124.699 122.820 0.022 0.000 2.511 420 A HA 0.085 4.405 4.320 -0.001 0.000 0.242 420 A C -0.180 177.435 177.584 0.051 0.000 1.069 420 A CA 0.321 52.370 52.037 0.020 0.000 0.763 420 A CB 0.085 19.094 19.000 0.014 0.000 1.001 420 A HN 0.123 nan 8.150 nan 0.000 0.498 421 K N 0.825 121.257 120.400 0.054 0.000 2.221 421 K HA 0.526 4.845 4.320 -0.001 0.000 0.258 421 K C -1.270 175.429 176.600 0.165 0.000 0.944 421 K CA -0.235 56.105 56.287 0.090 0.000 0.823 421 K CB 1.782 34.308 32.500 0.044 0.000 1.113 421 K HN 0.571 nan 8.250 nan 0.000 0.431 422 F N 1.646 121.613 119.950 0.029 0.000 2.458 422 F HA 0.416 4.943 4.527 -0.001 0.000 0.336 422 F C 0.771 176.605 175.800 0.057 0.000 1.114 422 F CA -0.782 57.251 58.000 0.055 0.000 0.987 422 F CB 1.446 40.488 39.000 0.070 0.000 1.130 422 F HN 0.673 nan 8.300 nan 0.000 0.458 423 A N 4.668 127.119 122.820 -0.615 0.000 1.972 423 A HA 0.244 4.564 4.320 -0.001 0.000 0.219 423 A C 1.898 179.203 177.584 -0.466 0.000 1.169 423 A CA 1.385 53.157 52.037 -0.442 0.000 0.635 423 A CB -1.578 17.238 19.000 -0.306 0.000 0.810 423 A HN 1.662 nan 8.150 nan 0.000 0.446 424 G N -0.324 107.870 108.800 -1.008 0.000 2.661 424 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.327 424 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.327 424 G C 0.974 175.862 174.900 -0.020 0.000 1.320 424 G CA 0.643 45.544 45.100 -0.332 0.000 0.997 424 G HN 0.486 nan 8.290 nan 0.000 0.543 425 R N 0.928 121.480 120.500 0.087 0.000 2.285 425 R HA -0.032 4.308 4.340 -0.001 0.000 0.213 425 R C 1.627 178.019 176.300 0.154 0.000 1.068 425 R CA 1.055 57.259 56.100 0.174 0.000 1.004 425 R CB -0.479 29.889 30.300 0.114 0.000 0.873 425 R HN 0.435 nan 8.270 nan 0.000 0.467 426 N N 0.946 119.677 118.700 0.051 0.000 2.320 426 N HA -0.027 4.713 4.740 -0.001 0.000 0.237 426 N C 0.921 176.371 175.510 -0.100 0.000 1.129 426 N CA -0.309 52.711 53.050 -0.050 0.000 0.854 426 N CB -0.151 38.307 38.487 -0.048 0.000 1.083 426 N HN 0.147 nan 8.380 nan 0.000 0.504 427 F N -0.137 119.743 119.950 -0.117 0.000 2.250 427 F HA -0.006 4.521 4.527 -0.001 0.000 0.301 427 F C 1.670 177.426 175.800 -0.074 0.000 1.077 427 F CA 0.890 58.816 58.000 -0.123 0.000 1.348 427 F CB -0.288 38.636 39.000 -0.126 0.000 1.040 427 F HN -0.027 nan 8.300 nan 0.000 0.509 428 R N 0.347 120.256 120.500 -0.984 0.000 2.148 428 R HA -0.088 4.252 4.340 -0.001 0.000 0.227 428 R C 0.005 176.151 176.300 -0.257 0.000 1.103 428 R CA 1.330 57.045 56.100 -0.640 0.000 0.983 428 R CB -0.537 29.348 30.300 -0.691 0.000 0.874 428 R HN 0.361 nan 8.270 nan 0.000 0.451 429 N N -1.003 117.574 118.700 -0.204 0.000 3.153 429 N HA 0.051 4.791 4.740 -0.001 0.000 0.208 429 N C -2.298 173.159 175.510 -0.088 0.000 1.462 429 N CA -0.919 52.069 53.050 -0.104 0.000 0.754 429 N CB 1.058 39.496 38.487 -0.082 0.000 1.558 429 N HN -0.226 nan 8.380 nan 0.000 0.605 430 P HA -0.039 nan 4.420 nan 0.000 0.220 430 P C -0.029 177.246 177.300 -0.042 0.000 1.148 430 P CA 0.476 63.540 63.100 -0.061 0.000 0.803 430 P CB 0.680 32.343 31.700 -0.063 0.000 0.782 431 L N 0.201 121.403 121.223 -0.035 0.000 2.319 431 L HA 0.638 4.978 4.340 -0.001 0.000 0.281 431 L C -0.512 176.344 176.870 -0.023 0.000 1.005 431 L CA -1.581 53.244 54.840 -0.025 0.000 0.828 431 L CB 0.928 42.975 42.059 -0.021 0.000 1.227 431 L HN -0.132 nan 8.230 nan 0.000 0.415 432 A N 5.533 128.341 122.820 -0.020 0.000 2.450 432 A HA 0.531 4.850 4.320 -0.001 0.000 0.255 432 A C 0.076 177.651 177.584 -0.015 0.000 1.096 432 A CA -0.069 51.957 52.037 -0.018 0.000 0.778 432 A CB 0.091 19.082 19.000 -0.015 0.000 1.031 432 A HN 0.792 nan 8.150 nan 0.000 0.494 433 K N 0.000 120.391 120.400 -0.015 0.000 2.780 433 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 433 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 433 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 433 K HN 0.000 nan 8.250 nan 0.000 0.543