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 2bc0_1_B DATA FIRST_RESID -16 DATA SEQUENCE GQQMGRTLYD DDDKDRWGSK IVVVGANHAG TACIKTMLTN YGDANEIVVF DATA SEQUENCE DQNSNISFLG XGMALWIGEQ IAGPEGLFYS DKEELESLGA KVYMESPVQS DATA SEQUENCE IDYDAKTVTA LVDGKNHVET YDKLIFATGS QPILPPIKGA EIKEGSLEFE DATA SEQUENCE ATLENLQFVK LYQNSADVIA KLENKDIKRV AVVGAGYIGV ELAEAFQRKG DATA SEQUENCE KEVVLIDVVD TCLAGYYDRD LTDLMAKNME EHGIQLAFGE TVKEVAGNGK DATA SEQUENCE VEKIITDKNE YDVDMVILAV GFRPNTTLGN GKIDLFRNGA FLVNKRQETS DATA SEQUENCE IPGVYAIGDC ATIYDNATRD TNYIALASNA VRTGIVAAHN ACGTDLEGIG DATA SEQUENCE VQGSNGISIY GLHMVSTGLT LEKAKRLGFD AAVTEYTDNQ KPEFIEHGNF DATA SEQUENCE PVTIKIVYDK DSRRILGAQM AAREDVSMGI HMFSLAIQEG VTIEKLALTD DATA SEQUENCE IFFLPHFNKP YNYITMAALG AKD 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 -16 G HA2 0.000 nan 3.960 nan 0.000 0.244 -16 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 -16 G C 0.000 174.932 174.900 0.053 0.000 0.946 -16 G CA 0.000 45.142 45.100 0.070 0.000 0.502 -15 Q N 1.425 121.262 119.800 0.061 0.000 3.230 -15 Q HA 0.238 4.576 4.340 -0.002 0.000 0.303 -15 Q C 0.012 176.030 176.000 0.030 0.000 0.884 -15 Q CA -0.166 55.656 55.803 0.032 0.000 0.859 -15 Q CB 1.211 29.956 28.738 0.013 0.000 1.432 -15 Q HN 0.698 nan 8.270 nan 0.000 0.403 -14 Q N 1.282 121.097 119.800 0.025 0.000 2.205 -14 Q HA 0.762 5.101 4.340 -0.002 0.000 0.249 -14 Q C 0.157 176.160 176.000 0.005 0.000 0.948 -14 Q CA -0.255 55.559 55.803 0.019 0.000 0.895 -14 Q CB 1.964 30.711 28.738 0.016 0.000 1.249 -14 Q HN 0.489 nan 8.270 nan 0.000 0.458 -13 M N -2.138 117.462 119.600 0.001 0.000 2.833 -13 M HA 0.633 5.112 4.480 -0.002 0.000 0.270 -13 M C -0.629 175.664 176.300 -0.012 0.000 1.209 -13 M CA -0.847 54.448 55.300 -0.008 0.000 0.826 -13 M CB 1.007 33.600 32.600 -0.011 0.000 1.657 -13 M HN 0.544 nan 8.290 nan 0.000 0.492 -12 G N 0.765 109.553 108.800 -0.020 0.000 2.624 -12 G HA2 0.573 4.532 3.960 -0.002 0.000 0.217 -12 G HA3 0.573 4.532 3.960 -0.002 0.000 0.217 -12 G C -0.645 174.237 174.900 -0.031 0.000 1.506 -12 G CA -0.647 44.437 45.100 -0.027 0.000 1.072 -12 G HN 0.716 nan 8.290 nan 0.000 0.568 -11 R N -0.075 120.398 120.500 -0.045 0.000 2.698 -11 R HA 0.331 4.669 4.340 -0.002 0.000 0.266 -11 R C 1.059 177.339 176.300 -0.034 0.000 1.026 -11 R CA 0.517 56.587 56.100 -0.050 0.000 1.102 -11 R CB 0.358 30.614 30.300 -0.073 0.000 0.978 -11 R HN 0.691 nan 8.270 nan 0.000 0.436 -10 T N -0.180 114.377 114.554 0.005 0.000 2.824 -10 T HA 0.212 4.561 4.350 -0.002 0.000 0.277 -10 T C 1.420 176.049 174.700 -0.118 0.000 0.975 -10 T CA -0.697 61.390 62.100 -0.022 0.000 0.966 -10 T CB 0.561 69.511 68.868 0.135 0.000 1.054 -10 T HN 0.628 nan 8.240 nan 0.000 0.533 -9 L N -1.317 119.729 121.223 -0.294 0.000 2.551 -9 L HA 0.192 4.531 4.340 -0.002 0.000 0.228 -9 L C 1.591 178.272 176.870 -0.315 0.000 1.153 -9 L CA 0.552 55.199 54.840 -0.321 0.000 0.851 -9 L CB -0.847 40.974 42.059 -0.398 0.000 0.959 -9 L HN 0.679 nan 8.230 nan 0.000 0.451 -8 Y N 0.274 120.489 120.300 -0.141 0.000 2.517 -8 Y HA 0.090 4.639 4.550 -0.002 0.000 0.281 -8 Y C 1.159 176.939 175.900 -0.199 0.000 1.125 -8 Y CA -0.634 57.299 58.100 -0.279 0.000 1.283 -8 Y CB 0.018 38.075 38.460 -0.673 0.000 1.042 -8 Y HN 0.279 nan 8.280 nan 0.000 0.547 -7 D N 1.496 121.926 120.400 0.051 0.000 2.423 -7 D HA 0.027 4.666 4.640 -0.002 0.000 0.238 -7 D C -0.532 175.798 176.300 0.050 0.000 1.142 -7 D CA 0.337 54.373 54.000 0.060 0.000 0.884 -7 D CB 0.456 41.202 40.800 -0.090 0.000 1.199 -7 D HN 0.323 nan 8.370 nan 0.000 0.438 -6 D N 1.553 122.016 120.400 0.105 0.000 2.609 -6 D HA 0.120 4.759 4.640 -0.002 0.000 0.239 -6 D C -1.077 175.283 176.300 0.101 0.000 1.229 -6 D CA -0.699 53.352 54.000 0.085 0.000 0.808 -6 D CB 0.783 41.638 40.800 0.092 0.000 1.448 -6 D HN 0.295 nan 8.370 nan 0.000 0.433 -5 D N 1.212 121.648 120.400 0.060 0.000 2.730 -5 D HA -0.116 4.523 4.640 -0.002 0.000 0.225 -5 D C 1.018 177.366 176.300 0.081 0.000 1.107 -5 D CA 0.431 54.464 54.000 0.054 0.000 0.837 -5 D CB 0.930 41.748 40.800 0.030 0.000 1.171 -5 D HN 0.461 nan 8.370 nan 0.000 0.498 -4 D N 2.764 123.216 120.400 0.087 0.000 2.271 -4 D HA -0.199 4.440 4.640 -0.002 0.000 0.207 -4 D C 1.210 177.539 176.300 0.047 0.000 0.983 -4 D CA 1.066 55.125 54.000 0.098 0.000 0.878 -4 D CB 0.353 41.206 40.800 0.089 0.000 0.920 -4 D HN 0.692 nan 8.370 nan 0.000 0.479 -3 K N -0.400 120.015 120.400 0.025 0.000 2.179 -3 K HA -0.293 4.026 4.320 -0.002 0.000 0.144 -3 K C -0.508 176.071 176.600 -0.036 0.000 1.469 -3 K CA 1.954 58.238 56.287 -0.006 0.000 0.623 -3 K CB -1.311 31.185 32.500 -0.007 0.000 0.552 -3 K HN -0.038 nan 8.250 nan 0.000 0.958 -2 D N 1.847 122.203 120.400 -0.074 0.000 2.973 -2 D HA 0.219 4.858 4.640 -0.002 0.000 0.263 -2 D C -0.442 175.726 176.300 -0.219 0.000 1.266 -2 D CA -0.295 53.618 54.000 -0.144 0.000 0.975 -2 D CB 0.287 40.993 40.800 -0.157 0.000 1.032 -2 D HN 0.438 nan 8.370 nan 0.000 0.510 -1 R N -0.946 119.462 120.500 -0.152 0.000 2.787 -1 R HA 0.581 4.920 4.340 -0.002 0.000 0.271 -1 R C -0.920 175.344 176.300 -0.060 0.000 0.993 -1 R CA -0.990 55.023 56.100 -0.145 0.000 0.993 -1 R CB 1.205 31.485 30.300 -0.034 0.000 1.155 -1 R HN 0.053 nan 8.270 nan 0.000 0.486 0 W N 1.131 122.435 121.300 0.005 0.000 2.287 0 W HA 0.378 5.037 4.660 -0.002 0.000 0.313 0 W C 0.876 177.394 176.519 -0.001 0.000 1.267 0 W CA -0.615 56.734 57.345 0.006 0.000 1.201 0 W CB 1.400 30.865 29.460 0.007 0.000 1.196 0 W HN 0.813 nan 8.180 nan 0.000 0.536 1 G N 1.428 110.401 108.800 0.289 0.000 2.547 1 G HA2 0.593 4.552 3.960 -0.002 0.000 0.291 1 G HA3 0.593 4.552 3.960 -0.002 0.000 0.291 1 G C -0.626 174.347 174.900 0.122 0.000 1.211 1 G CA -0.441 44.751 45.100 0.153 0.000 0.950 1 G HN 0.547 nan 8.290 nan 0.000 0.504 2 S N -0.951 114.789 115.700 0.067 0.000 2.611 2 S HA 0.528 4.997 4.470 -0.002 0.000 0.268 2 S C -1.263 173.359 174.600 0.037 0.000 1.156 2 S CA -1.025 57.199 58.200 0.039 0.000 0.817 2 S CB 2.038 65.264 63.200 0.045 0.000 1.122 2 S HN 0.510 nan 8.310 nan 0.000 0.466 3 K N 1.371 121.793 120.400 0.037 0.000 2.276 3 K HA 0.498 4.817 4.320 -0.002 0.000 0.285 3 K C -1.196 175.455 176.600 0.085 0.000 1.062 3 K CA -0.385 55.935 56.287 0.056 0.000 0.918 3 K CB -0.118 32.412 32.500 0.050 0.000 1.055 3 K HN 0.710 nan 8.250 nan 0.000 0.477 4 I N 4.259 124.869 120.570 0.067 0.000 2.418 4 I HA 0.207 4.376 4.170 -0.002 0.000 0.287 4 I C -0.382 175.764 176.117 0.049 0.000 1.008 4 I CA -1.146 60.183 61.300 0.048 0.000 1.104 4 I CB 2.061 40.060 38.000 -0.002 0.000 1.264 4 I HN 0.053 nan 8.210 nan 0.000 0.438 5 V N 7.246 127.183 119.914 0.037 0.000 2.394 5 V HA 0.350 4.469 4.120 -0.002 0.000 0.282 5 V C 0.013 176.097 176.094 -0.016 0.000 1.031 5 V CA -0.598 61.740 62.300 0.064 0.000 0.881 5 V CB 1.989 33.886 31.823 0.123 0.000 0.982 5 V HN 0.397 nan 8.190 nan 0.000 0.451 6 V N 6.046 125.994 119.914 0.057 0.000 2.384 6 V HA 0.378 4.497 4.120 -0.002 0.000 0.287 6 V C -0.135 176.043 176.094 0.141 0.000 1.020 6 V CA -0.544 61.783 62.300 0.045 0.000 0.850 6 V CB 1.974 33.822 31.823 0.041 0.000 0.987 6 V HN 0.608 nan 8.190 nan 0.000 0.436 7 V N 4.659 124.640 119.914 0.112 0.000 2.304 7 V HA 0.855 4.973 4.120 -0.002 0.000 0.269 7 V C 0.586 176.816 176.094 0.226 0.000 1.036 7 V CA 0.307 62.728 62.300 0.202 0.000 0.840 7 V CB 0.455 32.387 31.823 0.182 0.000 1.036 7 V HN 1.258 nan 8.190 nan 0.000 0.466 8 G N 3.987 112.919 108.800 0.219 0.000 2.906 8 G HA2 0.414 4.373 3.960 -0.002 0.000 0.686 8 G HA3 0.414 4.373 3.960 -0.002 0.000 0.686 8 G C -0.422 174.581 174.900 0.171 0.000 1.170 8 G CA -0.251 44.972 45.100 0.204 0.000 0.775 8 G HN 1.593 nan 8.290 nan 0.000 0.630 9 A N 1.860 124.776 122.820 0.159 0.000 3.365 9 A HA 0.716 5.035 4.320 -0.002 0.000 0.258 9 A C 0.313 177.986 177.584 0.147 0.000 0.964 9 A CA 0.498 52.617 52.037 0.136 0.000 0.988 9 A CB 0.210 19.265 19.000 0.092 0.000 1.193 9 A HN 0.965 nan 8.150 nan 0.000 0.508 10 N N -0.761 118.054 118.700 0.192 0.000 2.835 10 N HA 0.219 4.958 4.740 -0.002 0.000 0.293 10 N C 1.438 177.119 175.510 0.285 0.000 1.345 10 N CA -0.224 52.955 53.050 0.215 0.000 0.760 10 N CB 0.255 38.895 38.487 0.254 0.000 1.130 10 N HN 0.345 nan 8.380 nan 0.000 0.441 11 H N -0.145 119.119 119.070 0.324 0.000 2.253 11 H HA -0.092 4.463 4.556 -0.002 0.000 0.296 11 H C 1.631 177.031 175.328 0.120 0.000 1.074 11 H CA 2.077 58.233 56.048 0.180 0.000 1.263 11 H CB -0.761 29.025 29.762 0.041 0.000 1.363 11 H HN 0.520 nan 8.280 nan 0.000 0.489 12 A N 0.820 123.791 122.820 0.251 0.000 1.851 12 A HA -0.154 4.165 4.320 -0.002 0.000 0.216 12 A C 2.854 180.527 177.584 0.147 0.000 1.195 12 A CA 2.040 54.176 52.037 0.165 0.000 0.622 12 A CB -1.367 17.728 19.000 0.157 0.000 0.831 12 A HN 0.505 nan 8.150 nan 0.000 0.444 13 G N -1.381 107.517 108.800 0.162 0.000 2.446 13 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.217 13 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.217 13 G C 1.587 176.558 174.900 0.117 0.000 1.168 13 G CA 1.754 46.934 45.100 0.132 0.000 0.771 13 G HN 0.448 nan 8.290 nan 0.000 0.551 14 T N 1.597 116.245 114.554 0.156 0.000 2.708 14 T HA 0.002 4.351 4.350 -0.002 0.000 0.266 14 T C 2.816 177.591 174.700 0.125 0.000 1.037 14 T CA 1.604 63.798 62.100 0.157 0.000 1.146 14 T CB -0.394 68.637 68.868 0.272 0.000 0.865 14 T HN 0.384 nan 8.240 nan 0.000 0.435 15 A N 0.238 123.131 122.820 0.121 0.000 1.933 15 A HA -0.132 4.187 4.320 -0.002 0.000 0.218 15 A C 2.713 180.325 177.584 0.047 0.000 1.175 15 A CA 1.598 53.681 52.037 0.076 0.000 0.628 15 A CB -1.369 17.668 19.000 0.063 0.000 0.814 15 A HN 0.633 nan 8.150 nan 0.000 0.444 16 C N -0.546 118.780 119.300 0.044 0.000 2.446 16 C HA -0.017 4.442 4.460 -0.002 0.000 0.277 16 C C 2.575 177.562 174.990 -0.006 0.000 1.275 16 C CA 0.993 60.013 59.018 0.004 0.000 1.727 16 C CB -1.344 26.399 27.740 0.006 0.000 2.010 16 C HN 0.599 nan 8.230 nan 0.000 0.486 17 I N 0.702 121.283 120.570 0.018 0.000 2.179 17 I HA -0.203 3.966 4.170 -0.002 0.000 0.242 17 I C 2.655 178.777 176.117 0.009 0.000 1.088 17 I CA 1.680 62.987 61.300 0.011 0.000 1.357 17 I CB -0.525 37.487 38.000 0.022 0.000 1.051 17 I HN 0.375 nan 8.210 nan 0.000 0.409 18 K N 0.175 120.588 120.400 0.021 0.000 2.057 18 K HA -0.127 4.192 4.320 -0.002 0.000 0.207 18 K C 2.131 178.731 176.600 -0.000 0.000 1.049 18 K CA 1.837 58.134 56.287 0.017 0.000 0.931 18 K CB -0.325 32.196 32.500 0.034 0.000 0.714 18 K HN 0.298 nan 8.250 nan 0.000 0.440 19 T N 1.660 116.206 114.554 -0.013 0.000 2.746 19 T HA -0.130 4.219 4.350 -0.002 0.000 0.267 19 T C 1.895 176.562 174.700 -0.055 0.000 1.039 19 T CA 1.331 63.398 62.100 -0.055 0.000 1.142 19 T CB -0.078 68.725 68.868 -0.108 0.000 0.866 19 T HN 0.177 nan 8.240 nan 0.000 0.444 20 M N 0.343 119.934 119.600 -0.016 0.000 2.077 20 M HA 0.029 4.508 4.480 -0.002 0.000 0.261 20 M C 2.273 178.633 176.300 0.100 0.000 1.070 20 M CA 1.578 56.925 55.300 0.078 0.000 1.125 20 M CB -0.544 32.063 32.600 0.012 0.000 1.339 20 M HN 0.186 nan 8.290 nan 0.000 0.409 21 L N -0.803 120.441 121.223 0.036 0.000 2.093 21 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 21 L C 2.407 179.277 176.870 -0.000 0.000 1.085 21 L CA 1.106 55.960 54.840 0.023 0.000 0.755 21 L CB -0.870 41.193 42.059 0.006 0.000 0.904 21 L HN 0.336 nan 8.230 nan 0.000 0.435 22 T N -0.934 113.608 114.554 -0.020 0.000 2.896 22 T HA -0.058 4.291 4.350 -0.002 0.000 0.263 22 T C 1.679 176.317 174.700 -0.104 0.000 1.050 22 T CA 0.982 63.055 62.100 -0.045 0.000 1.140 22 T CB -0.078 68.770 68.868 -0.034 0.000 0.877 22 T HN 0.318 nan 8.240 nan 0.000 0.457 23 N N -0.056 118.537 118.700 -0.178 0.000 2.409 23 N HA 0.049 4.788 4.740 -0.002 0.000 0.174 23 N C 0.549 175.614 175.510 -0.742 0.000 1.037 23 N CA 0.854 53.625 53.050 -0.466 0.000 0.898 23 N CB 0.258 38.388 38.487 -0.595 0.000 1.010 23 N HN 0.472 nan 8.380 nan 0.000 0.445 24 Y N -0.467 119.838 120.300 0.008 0.000 2.563 24 Y HA 0.310 4.859 4.550 -0.002 0.000 0.250 24 Y C 1.963 177.868 175.900 0.009 0.000 1.126 24 Y CA -0.243 57.866 58.100 0.015 0.000 1.231 24 Y CB 0.034 38.503 38.460 0.015 0.000 1.288 24 Y HN -0.109 nan 8.280 nan 0.000 0.537 25 G N 1.603 110.455 108.800 0.087 0.000 3.760 25 G HA2 -0.561 3.398 3.960 -0.002 0.000 0.272 25 G HA3 -0.561 3.398 3.960 -0.002 0.000 0.272 25 G C 1.271 176.209 174.900 0.063 0.000 0.944 25 G CA 2.293 47.426 45.100 0.055 0.000 0.841 25 G HN 0.419 nan 8.290 nan 0.000 1.355 26 D N 0.655 121.086 120.400 0.052 0.000 2.133 26 D HA 0.069 4.708 4.640 -0.002 0.000 0.195 26 D C 2.751 179.089 176.300 0.065 0.000 0.997 26 D CA 2.148 56.177 54.000 0.048 0.000 0.840 26 D CB -0.617 40.206 40.800 0.039 0.000 0.947 26 D HN 0.520 nan 8.370 nan 0.000 0.452 27 A N -0.627 122.248 122.820 0.092 0.000 2.121 27 A HA -0.064 4.255 4.320 -0.002 0.000 0.218 27 A C 0.738 178.375 177.584 0.088 0.000 1.154 27 A CA 0.705 52.802 52.037 0.100 0.000 0.679 27 A CB -0.098 18.980 19.000 0.130 0.000 0.795 27 A HN 0.215 nan 8.150 nan 0.000 0.458 28 N N -0.676 118.071 118.700 0.078 0.000 2.265 28 N HA 0.326 5.065 4.740 -0.002 0.000 0.300 28 N C -1.209 174.326 175.510 0.042 0.000 1.148 28 N CA -0.418 52.666 53.050 0.056 0.000 0.772 28 N CB 1.599 40.113 38.487 0.045 0.000 1.434 28 N HN 0.386 nan 8.380 nan 0.000 0.481 29 E N 1.667 121.888 120.200 0.035 0.000 2.114 29 E HA 0.337 4.686 4.350 -0.002 0.000 0.266 29 E C -1.116 175.501 176.600 0.028 0.000 0.896 29 E CA -0.566 55.851 56.400 0.029 0.000 0.750 29 E CB 0.570 30.289 29.700 0.032 0.000 1.121 29 E HN 0.333 nan 8.360 nan 0.000 0.413 30 I N 4.857 125.435 120.570 0.014 0.000 2.336 30 I HA 0.206 4.375 4.170 -0.002 0.000 0.292 30 I C -0.663 175.447 176.117 -0.012 0.000 0.991 30 I CA -0.610 60.693 61.300 0.006 0.000 1.227 30 I CB 1.675 39.673 38.000 -0.004 0.000 1.366 30 I HN 0.305 nan 8.210 nan 0.000 0.466 31 V N 7.084 127.000 119.914 0.002 0.000 2.540 31 V HA 0.600 4.719 4.120 -0.002 0.000 0.302 31 V C -0.361 175.681 176.094 -0.088 0.000 1.035 31 V CA -0.772 61.499 62.300 -0.048 0.000 0.873 31 V CB 2.048 33.896 31.823 0.043 0.000 0.992 31 V HN 0.366 nan 8.190 nan 0.000 0.428 32 V N 4.618 124.411 119.914 -0.202 0.000 2.604 32 V HA 0.618 4.737 4.120 -0.002 0.000 0.305 32 V C -0.954 174.998 176.094 -0.237 0.000 1.043 32 V CA -0.573 61.654 62.300 -0.123 0.000 0.888 32 V CB 1.793 33.584 31.823 -0.053 0.000 0.995 32 V HN 0.688 nan 8.190 nan 0.000 0.429 33 F N 2.112 122.146 119.950 0.140 0.000 2.540 33 F HA 0.645 5.171 4.527 -0.002 0.000 0.317 33 F C -0.101 175.765 175.800 0.110 0.000 1.104 33 F CA -0.476 57.608 58.000 0.140 0.000 0.913 33 F CB 1.988 41.041 39.000 0.089 0.000 1.170 33 F HN 0.430 nan 8.300 nan 0.000 0.450 34 D N 2.550 123.115 120.400 0.275 0.000 2.890 34 D HA 0.073 4.712 4.640 -0.002 0.000 0.233 34 D C 0.198 176.593 176.300 0.159 0.000 1.306 34 D CA -0.278 53.838 54.000 0.194 0.000 0.929 34 D CB 1.915 42.800 40.800 0.143 0.000 1.512 34 D HN 0.824 nan 8.370 nan 0.000 0.568 35 Q N 2.360 122.242 119.800 0.137 0.000 2.437 35 Q HA -0.081 4.258 4.340 -0.002 0.000 0.210 35 Q C 0.254 176.294 176.000 0.067 0.000 0.972 35 Q CA 0.568 56.427 55.803 0.093 0.000 0.903 35 Q CB 0.212 28.990 28.738 0.067 0.000 0.967 35 Q HN 0.145 nan 8.270 nan 0.000 0.486 36 N N 0.923 119.670 118.700 0.078 0.000 2.434 36 N HA 0.044 4.782 4.740 -0.002 0.000 0.266 36 N C 0.222 175.762 175.510 0.051 0.000 1.223 36 N CA 0.286 53.374 53.050 0.063 0.000 0.972 36 N CB 1.508 40.049 38.487 0.090 0.000 1.207 36 N HN 0.227 nan 8.380 nan 0.000 0.525 37 S N -0.753 114.971 115.700 0.040 0.000 2.575 37 S HA 0.115 4.583 4.470 -0.002 0.000 0.215 37 S C -0.167 174.422 174.600 -0.019 0.000 0.966 37 S CA -0.338 57.872 58.200 0.016 0.000 0.911 37 S CB -0.857 62.355 63.200 0.021 0.000 0.780 37 S HN 0.741 nan 8.310 nan 0.000 0.514 38 N N 0.630 119.327 118.700 -0.005 0.000 2.308 38 N HA 0.635 5.374 4.740 -0.002 0.000 0.283 38 N C -0.877 174.651 175.510 0.030 0.000 1.105 38 N CA -1.110 51.905 53.050 -0.060 0.000 0.840 38 N CB 1.400 39.812 38.487 -0.126 0.000 1.633 38 N HN 0.327 nan 8.380 nan 0.000 0.476 39 I N -2.869 117.708 120.570 0.012 0.000 3.294 39 I HA 0.723 4.892 4.170 -0.002 0.000 0.311 39 I C -0.587 175.550 176.117 0.033 0.000 1.111 39 I CA -1.272 60.061 61.300 0.055 0.000 0.976 39 I CB 2.026 40.038 38.000 0.020 0.000 1.260 39 I HN 0.588 nan 8.210 nan 0.000 0.474 40 S N 0.748 116.400 115.700 -0.081 0.000 3.628 40 S HA -0.226 4.243 4.470 -0.002 0.000 0.373 40 S C -0.516 173.583 174.600 -0.835 0.000 0.968 40 S CA 0.576 58.419 58.200 -0.595 0.000 1.215 40 S CB -2.047 60.821 63.200 -0.553 0.000 0.912 40 S HN 0.618 nan 8.310 nan 0.000 0.495 41 F N 1.005 120.682 119.950 -0.455 0.000 2.399 41 F HA 0.629 5.155 4.527 -0.002 0.000 0.334 41 F C 0.067 175.798 175.800 -0.116 0.000 1.097 41 F CA -1.648 56.105 58.000 -0.413 0.000 1.076 41 F CB 0.924 39.835 39.000 -0.150 0.000 1.162 41 F HN 0.150 nan 8.300 nan 0.000 0.495 42 L N 6.327 127.049 121.223 -0.836 0.000 2.556 42 L HA 0.454 4.793 4.340 -0.002 0.000 0.245 42 L C 0.600 176.924 176.870 -0.911 0.000 1.174 42 L CA -0.021 54.533 54.840 -0.476 0.000 1.117 42 L CB -0.551 41.385 42.059 -0.205 0.000 1.409 42 L HN 0.753 nan 8.230 nan 0.000 0.411 46 M N 1.005 120.713 119.600 0.180 0.000 2.149 46 M HA -0.058 4.421 4.480 -0.002 0.000 0.261 46 M C 2.866 179.239 176.300 0.121 0.000 1.064 46 M CA 2.048 57.517 55.300 0.282 0.000 1.102 46 M CB -0.204 32.544 32.600 0.247 0.000 1.369 46 M HN 0.333 nan 8.290 nan 0.000 0.408 47 A N 0.456 123.301 122.820 0.041 0.000 1.933 47 A HA -0.115 4.204 4.320 -0.002 0.000 0.218 47 A C 2.084 179.654 177.584 -0.024 0.000 1.175 47 A CA 1.303 53.306 52.037 -0.056 0.000 0.628 47 A CB -0.843 18.121 19.000 -0.060 0.000 0.814 47 A HN 0.465 nan 8.150 nan 0.000 0.444 48 L N -2.099 119.152 121.223 0.046 0.000 2.093 48 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 48 L C 2.588 179.552 176.870 0.156 0.000 1.085 48 L CA 1.412 56.289 54.840 0.062 0.000 0.755 48 L CB -0.560 41.533 42.059 0.057 0.000 0.904 48 L HN 0.779 nan 8.230 nan 0.000 0.435 49 W N 1.649 122.944 121.300 -0.009 0.000 2.353 49 W HA -0.180 4.479 4.660 -0.002 0.000 0.319 49 W C 2.283 178.798 176.519 -0.006 0.000 1.207 49 W CA 1.280 58.637 57.345 0.020 0.000 1.291 49 W CB -0.800 28.703 29.460 0.071 0.000 1.159 49 W HN -0.020 nan 8.180 nan 0.000 0.478 50 I N 1.017 121.561 120.570 -0.043 0.000 2.194 50 I HA -0.241 3.928 4.170 -0.002 0.000 0.246 50 I C 2.426 178.466 176.117 -0.128 0.000 1.093 50 I CA 1.887 63.038 61.300 -0.249 0.000 1.355 50 I CB -1.278 36.490 38.000 -0.388 0.000 1.046 50 I HN 0.189 nan 8.210 nan 0.000 0.413 51 G N -0.323 108.418 108.800 -0.098 0.000 2.848 51 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.208 51 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.208 51 G C 0.454 175.358 174.900 0.007 0.000 1.152 51 G CA -0.067 44.990 45.100 -0.071 0.000 0.789 51 G HN 0.577 nan 8.290 nan 0.000 0.531 52 E N -0.904 119.336 120.200 0.066 0.000 2.320 52 E HA -0.240 4.109 4.350 -0.002 0.000 0.234 52 E C 0.936 177.577 176.600 0.069 0.000 1.183 52 E CA 0.414 56.872 56.400 0.097 0.000 0.713 52 E CB -1.282 28.467 29.700 0.081 0.000 1.226 52 E HN 0.622 nan 8.360 nan 0.000 0.382 53 Q N -0.559 119.278 119.800 0.061 0.000 2.396 53 Q HA 0.182 4.521 4.340 -0.002 0.000 0.209 53 Q C 1.226 177.252 176.000 0.043 0.000 0.906 53 Q CA 0.796 56.621 55.803 0.037 0.000 0.927 53 Q CB 0.455 29.201 28.738 0.013 0.000 1.069 53 Q HN 0.575 nan 8.270 nan 0.000 0.523 54 I N -4.685 115.924 120.570 0.065 0.000 3.145 54 I HA 0.673 4.842 4.170 -0.002 0.000 0.313 54 I C -0.914 175.233 176.117 0.051 0.000 1.122 54 I CA -1.642 59.686 61.300 0.046 0.000 0.987 54 I CB 1.724 39.743 38.000 0.033 0.000 1.236 54 I HN -0.325 nan 8.210 nan 0.000 0.453 55 A N 3.239 126.070 122.820 0.018 0.000 2.797 55 A HA 0.594 4.913 4.320 -0.002 0.000 0.296 55 A C 0.961 178.513 177.584 -0.054 0.000 1.580 55 A CA 0.518 52.560 52.037 0.009 0.000 1.277 55 A CB -1.663 17.339 19.000 0.004 0.000 1.101 55 A HN 1.746 nan 8.150 nan 0.000 0.562 56 G N 3.257 112.022 108.800 -0.057 0.000 2.606 56 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.285 56 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.285 56 G C -1.019 173.439 174.900 -0.737 0.000 1.311 56 G CA 0.108 44.989 45.100 -0.363 0.000 0.922 56 G HN 0.634 nan 8.290 nan 0.000 0.559 57 P HA 0.074 nan 4.420 nan 0.000 0.249 57 P C 1.036 178.221 177.300 -0.191 0.000 1.241 57 P CA 1.078 63.745 63.100 -0.722 0.000 0.781 57 P CB 0.290 31.590 31.700 -0.666 0.000 1.088 58 E N 2.243 122.349 120.200 -0.157 0.000 2.160 58 E HA -0.220 4.129 4.350 -0.002 0.000 0.237 58 E C 1.659 178.272 176.600 0.020 0.000 1.069 58 E CA 2.552 58.927 56.400 -0.041 0.000 0.950 58 E CB -1.353 28.320 29.700 -0.046 0.000 0.832 58 E HN 0.260 nan 8.360 nan 0.000 0.496 59 G N -0.837 107.960 108.800 -0.006 0.000 3.820 59 G HA2 0.251 4.209 3.960 -0.002 0.000 0.293 59 G HA3 0.251 4.209 3.960 -0.002 0.000 0.293 59 G C 0.393 175.291 174.900 -0.003 0.000 1.152 59 G CA -0.306 44.809 45.100 0.024 0.000 0.921 59 G HN 0.229 nan 8.290 nan 0.000 0.544 60 L N 0.141 121.319 121.223 -0.075 0.000 2.645 60 L HA 0.409 4.748 4.340 -0.002 0.000 0.234 60 L C -0.457 176.086 176.870 -0.546 0.000 1.165 60 L CA 0.087 54.756 54.840 -0.285 0.000 0.944 60 L CB -0.324 41.547 42.059 -0.313 0.000 1.149 60 L HN 0.101 nan 8.230 nan 0.000 0.446 61 F N -1.391 118.553 119.950 -0.010 0.000 2.547 61 F HA 0.244 4.770 4.527 -0.002 0.000 0.316 61 F C 0.375 176.104 175.800 -0.119 0.000 1.121 61 F CA -0.925 56.984 58.000 -0.152 0.000 0.911 61 F CB 1.215 40.111 39.000 -0.175 0.000 1.179 61 F HN -0.039 nan 8.300 nan 0.000 0.443 62 Y N 0.126 120.488 120.300 0.103 0.000 2.607 62 Y HA 0.657 5.206 4.550 -0.002 0.000 0.266 62 Y C 0.416 176.346 175.900 0.049 0.000 1.178 62 Y CA -0.475 57.653 58.100 0.047 0.000 1.226 62 Y CB 0.241 38.702 38.460 0.001 0.000 1.144 62 Y HN 0.482 nan 8.280 nan 0.000 0.528 63 S N 0.251 115.907 115.700 -0.073 0.000 2.690 63 S HA 0.448 4.917 4.470 -0.002 0.000 0.264 63 S C -2.350 172.192 174.600 -0.097 0.000 1.040 63 S CA -0.365 57.809 58.200 -0.043 0.000 0.869 63 S CB 0.810 64.013 63.200 0.005 0.000 1.132 63 S HN 0.570 nan 8.310 nan 0.000 0.474 64 D N 0.290 120.638 120.400 -0.086 0.000 2.713 64 D HA 0.358 4.997 4.640 -0.002 0.000 0.306 64 D C 0.422 176.666 176.300 -0.093 0.000 1.299 64 D CA -0.691 53.238 54.000 -0.119 0.000 0.823 64 D CB 0.364 41.068 40.800 -0.160 0.000 1.353 64 D HN 0.480 nan 8.370 nan 0.000 0.447 65 K N -0.443 119.894 120.400 -0.105 0.000 2.032 65 K HA -0.224 4.095 4.320 -0.002 0.000 0.209 65 K C 1.251 177.796 176.600 -0.091 0.000 1.048 65 K CA 1.841 58.070 56.287 -0.096 0.000 0.927 65 K CB -0.082 32.355 32.500 -0.104 0.000 0.712 65 K HN 0.384 nan 8.250 nan 0.000 0.441 66 E N 0.699 120.845 120.200 -0.090 0.000 2.058 66 E HA -0.225 4.124 4.350 -0.002 0.000 0.194 66 E C 1.843 178.404 176.600 -0.065 0.000 0.997 66 E CA 1.715 58.068 56.400 -0.078 0.000 0.801 66 E CB -0.109 29.546 29.700 -0.075 0.000 0.746 66 E HN 0.483 nan 8.360 nan 0.000 0.450 67 E N 0.465 120.630 120.200 -0.058 0.000 2.051 67 E HA -0.184 4.165 4.350 -0.002 0.000 0.192 67 E C 1.949 178.527 176.600 -0.037 0.000 0.991 67 E CA 0.969 57.344 56.400 -0.041 0.000 0.799 67 E CB -0.137 29.544 29.700 -0.030 0.000 0.748 67 E HN 0.229 nan 8.360 nan 0.000 0.449 68 L N 0.566 121.763 121.223 -0.043 0.000 2.083 68 L HA -0.158 4.181 4.340 -0.002 0.000 0.209 68 L C 2.477 179.314 176.870 -0.054 0.000 1.083 68 L CA 1.395 56.211 54.840 -0.040 0.000 0.752 68 L CB -0.420 41.614 42.059 -0.041 0.000 0.899 68 L HN 0.214 nan 8.230 nan 0.000 0.433 69 E N -0.028 120.129 120.200 -0.071 0.000 2.072 69 E HA -0.165 4.184 4.350 -0.002 0.000 0.190 69 E C 2.324 178.887 176.600 -0.060 0.000 0.982 69 E CA 1.410 57.762 56.400 -0.080 0.000 0.803 69 E CB -0.060 29.579 29.700 -0.100 0.000 0.755 69 E HN 0.512 nan 8.360 nan 0.000 0.453 70 S N 1.190 116.859 115.700 -0.052 0.000 2.399 70 S HA -0.111 4.358 4.470 -0.002 0.000 0.231 70 S C 2.009 176.590 174.600 -0.032 0.000 1.022 70 S CA 0.714 58.890 58.200 -0.041 0.000 0.983 70 S CB -0.400 62.778 63.200 -0.037 0.000 0.803 70 S HN 0.179 nan 8.310 nan 0.000 0.480 71 L N 0.759 121.963 121.223 -0.030 0.000 2.465 71 L HA 0.220 4.559 4.340 -0.002 0.000 0.224 71 L C 2.080 178.938 176.870 -0.021 0.000 1.145 71 L CA 0.687 55.514 54.840 -0.022 0.000 0.834 71 L CB -0.487 41.562 42.059 -0.016 0.000 0.944 71 L HN 0.695 nan 8.230 nan 0.000 0.451 72 G N -1.086 107.696 108.800 -0.030 0.000 2.260 72 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.179 72 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.179 72 G C 0.254 175.131 174.900 -0.038 0.000 1.002 72 G CA -0.179 44.904 45.100 -0.028 0.000 0.677 72 G HN 0.398 nan 8.290 nan 0.000 0.486 73 A N 0.299 123.089 122.820 -0.049 0.000 2.302 73 A HA 0.718 5.037 4.320 -0.002 0.000 0.285 73 A C 0.358 177.875 177.584 -0.113 0.000 1.105 73 A CA 0.101 52.099 52.037 -0.066 0.000 0.816 73 A CB 0.774 19.739 19.000 -0.058 0.000 1.067 73 A HN 0.431 nan 8.150 nan 0.000 0.489 74 K N 1.716 122.029 120.400 -0.145 0.000 2.234 74 K HA 0.520 4.839 4.320 -0.002 0.000 0.277 74 K C -1.509 174.884 176.600 -0.345 0.000 1.038 74 K CA -0.249 55.885 56.287 -0.255 0.000 0.888 74 K CB 0.755 33.114 32.500 -0.236 0.000 1.091 74 K HN 0.408 nan 8.250 nan 0.000 0.467 75 V N 5.818 125.489 119.914 -0.405 0.000 2.448 75 V HA 0.291 4.410 4.120 -0.002 0.000 0.295 75 V C -1.217 174.608 176.094 -0.449 0.000 1.025 75 V CA -0.826 61.265 62.300 -0.347 0.000 0.859 75 V CB 1.007 32.714 31.823 -0.193 0.000 0.988 75 V HN 0.639 nan 8.190 nan 0.000 0.431 76 Y N 4.719 124.865 120.300 -0.257 0.000 2.417 76 Y HA 0.559 5.108 4.550 -0.002 0.000 0.336 76 Y C 0.425 176.295 175.900 -0.050 0.000 0.961 76 Y CA -0.733 57.263 58.100 -0.172 0.000 1.215 76 Y CB 1.290 39.620 38.460 -0.217 0.000 1.120 76 Y HN 0.428 nan 8.280 nan 0.000 0.499 77 M N 1.620 121.273 119.600 0.089 0.000 2.359 77 M HA 0.188 4.667 4.480 -0.002 0.000 0.322 77 M C 0.631 176.988 176.300 0.095 0.000 1.166 77 M CA -0.281 55.061 55.300 0.071 0.000 1.067 77 M CB 0.734 33.342 32.600 0.012 0.000 1.523 77 M HN 0.737 nan 8.290 nan 0.000 0.467 78 E N -0.057 120.191 120.200 0.081 0.000 2.440 78 E HA -0.160 4.189 4.350 -0.002 0.000 0.246 78 E C -0.902 175.752 176.600 0.091 0.000 1.165 78 E CA 0.354 56.796 56.400 0.070 0.000 0.726 78 E CB -1.266 28.462 29.700 0.047 0.000 1.271 78 E HN 0.550 nan 8.360 nan 0.000 0.397 79 S N 1.140 116.921 115.700 0.136 0.000 2.399 79 S HA 0.272 4.741 4.470 -0.002 0.000 0.215 79 S C -2.192 172.494 174.600 0.143 0.000 1.456 79 S CA -0.981 57.311 58.200 0.152 0.000 1.199 79 S CB 1.469 64.817 63.200 0.248 0.000 1.063 79 S HN 0.072 nan 8.310 nan 0.000 0.476 80 P HA 0.164 nan 4.420 nan 0.000 0.276 80 P C -0.493 176.798 177.300 -0.015 0.000 1.230 80 P CA -0.260 62.869 63.100 0.049 0.000 0.776 80 P CB 0.850 32.569 31.700 0.030 0.000 0.888 81 V N 5.105 124.999 119.914 -0.033 0.000 2.408 81 V HA 0.053 4.172 4.120 -0.002 0.000 0.267 81 V C 1.612 177.682 176.094 -0.039 0.000 1.047 81 V CA 0.393 62.614 62.300 -0.131 0.000 0.937 81 V CB 0.387 32.125 31.823 -0.141 0.000 0.999 81 V HN 0.548 nan 8.190 nan 0.000 0.472 82 Q N 2.967 122.734 119.800 -0.055 0.000 2.384 82 Q HA 0.205 4.544 4.340 -0.002 0.000 0.207 82 Q C 0.414 176.415 176.000 0.002 0.000 0.904 82 Q CA 0.318 56.113 55.803 -0.014 0.000 0.933 82 Q CB 0.907 29.634 28.738 -0.019 0.000 1.077 82 Q HN 0.835 nan 8.270 nan 0.000 0.522 83 S N -0.298 115.391 115.700 -0.017 0.000 2.565 83 S HA 0.517 4.986 4.470 -0.002 0.000 0.274 83 S C -1.393 173.184 174.600 -0.039 0.000 1.144 83 S CA -0.988 57.215 58.200 0.004 0.000 0.849 83 S CB 1.387 64.586 63.200 -0.001 0.000 1.103 83 S HN 0.042 nan 8.310 nan 0.000 0.455 84 I N 2.221 122.769 120.570 -0.036 0.000 2.465 84 I HA 0.498 4.667 4.170 -0.002 0.000 0.291 84 I C -0.881 175.093 176.117 -0.238 0.000 1.014 84 I CA -0.297 60.874 61.300 -0.215 0.000 1.093 84 I CB 1.778 39.505 38.000 -0.454 0.000 1.267 84 I HN 0.889 nan 8.210 nan 0.000 0.431 85 D N 5.442 125.717 120.400 -0.210 0.000 2.473 85 D HA 0.198 4.837 4.640 -0.002 0.000 0.226 85 D C 0.499 176.726 176.300 -0.121 0.000 1.089 85 D CA -0.366 53.576 54.000 -0.096 0.000 0.883 85 D CB 0.539 41.298 40.800 -0.068 0.000 1.029 85 D HN 0.308 nan 8.370 nan 0.000 0.517 86 Y N 1.324 121.680 120.300 0.094 0.000 2.497 86 Y HA -0.094 4.455 4.550 -0.002 0.000 0.292 86 Y C 1.781 177.703 175.900 0.037 0.000 1.137 86 Y CA 0.564 58.731 58.100 0.112 0.000 1.285 86 Y CB 0.192 38.718 38.460 0.110 0.000 0.991 86 Y HN 0.328 nan 8.280 nan 0.000 0.556 87 D N -0.251 120.222 120.400 0.123 0.000 2.110 87 D HA -0.032 4.607 4.640 -0.002 0.000 0.202 87 D C 2.095 178.377 176.300 -0.030 0.000 0.975 87 D CA 1.402 55.431 54.000 0.048 0.000 0.839 87 D CB -0.409 40.416 40.800 0.042 0.000 0.996 87 D HN 0.236 nan 8.370 nan 0.000 0.464 88 A N 0.239 123.020 122.820 -0.064 0.000 2.238 88 A HA 0.011 4.330 4.320 -0.002 0.000 0.208 88 A C 0.320 177.766 177.584 -0.231 0.000 1.177 88 A CA 0.041 52.007 52.037 -0.120 0.000 0.804 88 A CB -0.444 18.495 19.000 -0.101 0.000 0.823 88 A HN 0.183 nan 8.150 nan 0.000 0.482 89 K N 0.717 120.951 120.400 -0.276 0.000 3.689 89 K HA -0.165 4.154 4.320 -0.002 0.000 0.276 89 K C -0.256 175.827 176.600 -0.862 0.000 0.932 89 K CA 0.962 56.839 56.287 -0.684 0.000 0.758 89 K CB -2.204 29.815 32.500 -0.803 0.000 1.500 89 K HN 0.795 nan 8.250 nan 0.000 0.448 90 T N -3.058 111.289 114.554 -0.345 0.000 2.916 90 T HA 0.652 5.001 4.350 -0.002 0.000 0.305 90 T C -0.174 174.502 174.700 -0.040 0.000 1.119 90 T CA -0.558 61.443 62.100 -0.164 0.000 1.008 90 T CB 2.253 71.022 68.868 -0.166 0.000 1.129 90 T HN 0.295 nan 8.240 nan 0.000 0.480 91 V N -0.525 119.369 119.914 -0.033 0.000 2.769 91 V HA 0.934 5.053 4.120 -0.002 0.000 0.312 91 V C -0.523 175.444 176.094 -0.213 0.000 1.058 91 V CA -0.650 61.566 62.300 -0.138 0.000 0.952 91 V CB 1.736 33.433 31.823 -0.210 0.000 1.019 91 V HN 1.100 nan 8.190 nan 0.000 0.445 92 T N 3.375 117.801 114.554 -0.213 0.000 2.809 92 T HA 0.836 5.185 4.350 -0.002 0.000 0.284 92 T C -0.134 174.429 174.700 -0.228 0.000 0.992 92 T CA 0.102 62.083 62.100 -0.198 0.000 0.957 92 T CB 1.210 70.006 68.868 -0.120 0.000 0.942 92 T HN 1.405 nan 8.240 nan 0.000 0.439 93 A N 2.999 125.667 122.820 -0.252 0.000 2.384 93 A HA 0.813 5.132 4.320 -0.002 0.000 0.312 93 A C -0.696 176.845 177.584 -0.072 0.000 1.113 93 A CA -0.777 51.126 52.037 -0.224 0.000 0.779 93 A CB 1.158 19.883 19.000 -0.459 0.000 1.307 93 A HN 0.829 nan 8.150 nan 0.000 0.436 94 L N 2.570 123.772 121.223 -0.035 0.000 2.302 94 L HA 0.339 4.678 4.340 -0.002 0.000 0.285 94 L C -1.065 175.818 176.870 0.021 0.000 1.090 94 L CA -0.307 54.533 54.840 0.001 0.000 0.866 94 L CB 0.621 42.682 42.059 0.004 0.000 1.244 94 L HN 0.472 nan 8.230 nan 0.000 0.435 95 V N 3.892 123.819 119.914 0.022 0.000 2.347 95 V HA 0.225 4.344 4.120 -0.002 0.000 0.280 95 V C -0.064 176.051 176.094 0.036 0.000 1.021 95 V CA -0.668 61.645 62.300 0.022 0.000 0.847 95 V CB 1.192 32.975 31.823 -0.067 0.000 0.990 95 V HN 0.743 nan 8.190 nan 0.000 0.444 96 D N 4.390 124.816 120.400 0.042 0.000 2.699 96 D HA -0.188 4.451 4.640 -0.002 0.000 0.239 96 D C 1.322 177.639 176.300 0.028 0.000 1.136 96 D CA 1.350 55.371 54.000 0.035 0.000 0.668 96 D CB -1.061 39.761 40.800 0.036 0.000 1.060 96 D HN 1.363 nan 8.370 nan 0.000 0.429 97 G N -0.307 108.508 108.800 0.025 0.000 2.180 97 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.263 97 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.263 97 G C 0.218 175.129 174.900 0.019 0.000 0.989 97 G CA 1.135 46.246 45.100 0.019 0.000 0.692 97 G HN 0.525 nan 8.290 nan 0.000 0.526 98 K N -0.014 120.401 120.400 0.024 0.000 2.422 98 K HA 0.344 4.663 4.320 -0.002 0.000 0.251 98 K C -0.437 176.183 176.600 0.032 0.000 0.933 98 K CA -1.136 55.167 56.287 0.027 0.000 0.798 98 K CB 1.105 33.626 32.500 0.034 0.000 1.238 98 K HN 0.049 nan 8.250 nan 0.000 0.428 99 N N 2.020 120.733 118.700 0.020 0.000 2.454 99 N HA -0.035 4.704 4.740 -0.002 0.000 0.254 99 N C -0.715 174.824 175.510 0.048 0.000 1.228 99 N CA 0.427 53.484 53.050 0.012 0.000 0.900 99 N CB 0.301 38.779 38.487 -0.015 0.000 1.089 99 N HN 0.522 nan 8.380 nan 0.000 0.449 100 H N 0.277 119.299 119.070 -0.080 0.000 2.924 100 H HA 0.408 4.963 4.556 -0.002 0.000 0.333 100 H C -0.894 174.373 175.328 -0.101 0.000 0.979 100 H CA -0.891 55.110 56.048 -0.078 0.000 1.326 100 H CB 0.510 30.209 29.762 -0.105 0.000 1.600 100 H HN 0.242 nan 8.280 nan 0.000 0.520 101 V N 2.447 122.061 119.914 -0.499 0.000 2.644 101 V HA 0.632 4.751 4.120 -0.002 0.000 0.295 101 V C -0.090 175.714 176.094 -0.484 0.000 1.053 101 V CA -0.670 61.400 62.300 -0.384 0.000 0.987 101 V CB 1.547 33.234 31.823 -0.228 0.000 1.006 101 V HN 0.859 nan 8.190 nan 0.000 0.472 102 E N 1.590 121.662 120.200 -0.212 0.000 2.274 102 E HA 0.511 4.860 4.350 -0.002 0.000 0.269 102 E C -0.689 175.921 176.600 0.017 0.000 0.891 102 E CA -0.225 56.166 56.400 -0.016 0.000 0.784 102 E CB 2.091 31.963 29.700 0.285 0.000 1.225 102 E HN 0.943 nan 8.360 nan 0.000 0.412 103 T N 3.586 118.132 114.554 -0.012 0.000 2.913 103 T HA 0.522 4.871 4.350 -0.002 0.000 0.287 103 T C -0.966 173.732 174.700 -0.004 0.000 1.008 103 T CA -0.168 61.873 62.100 -0.098 0.000 1.067 103 T CB 0.171 68.957 68.868 -0.135 0.000 0.996 103 T HN 0.410 nan 8.240 nan 0.000 0.513 104 Y N -0.760 119.516 120.300 -0.039 0.000 2.588 104 Y HA 0.611 5.160 4.550 -0.002 0.000 0.343 104 Y C -0.050 175.829 175.900 -0.036 0.000 1.065 104 Y CA -1.434 56.649 58.100 -0.028 0.000 1.038 104 Y CB 0.992 39.431 38.460 -0.035 0.000 1.297 104 Y HN 0.440 nan 8.280 nan 0.000 0.467 105 D N 0.196 120.722 120.400 0.209 0.000 2.431 105 D HA 0.108 4.747 4.640 -0.002 0.000 0.227 105 D C -0.350 176.114 176.300 0.272 0.000 1.030 105 D CA 0.828 54.905 54.000 0.129 0.000 0.897 105 D CB 0.614 41.438 40.800 0.040 0.000 1.058 105 D HN 0.343 nan 8.370 nan 0.000 0.500 106 K N 0.886 121.458 120.400 0.287 0.000 2.422 106 K HA 0.469 4.788 4.320 -0.002 0.000 0.251 106 K C -1.033 175.549 176.600 -0.029 0.000 0.933 106 K CA -0.872 55.529 56.287 0.190 0.000 0.798 106 K CB 2.947 35.532 32.500 0.142 0.000 1.238 106 K HN -0.072 nan 8.250 nan 0.000 0.428 107 L N 3.247 124.336 121.223 -0.224 0.000 2.381 107 L HA 0.576 4.915 4.340 -0.002 0.000 0.274 107 L C -1.286 175.400 176.870 -0.308 0.000 0.988 107 L CA -0.476 54.017 54.840 -0.578 0.000 0.824 107 L CB 1.220 42.579 42.059 -1.167 0.000 1.263 107 L HN 0.587 nan 8.230 nan 0.000 0.410 108 I N 5.400 125.791 120.570 -0.300 0.000 2.410 108 I HA 0.324 4.492 4.170 -0.002 0.000 0.286 108 I C -0.970 175.054 176.117 -0.155 0.000 1.009 108 I CA -0.326 60.896 61.300 -0.129 0.000 1.111 108 I CB 1.288 39.252 38.000 -0.059 0.000 1.262 108 I HN 0.450 nan 8.210 nan 0.000 0.443 109 F N 4.869 124.820 119.950 0.001 0.000 2.424 109 F HA 0.465 4.991 4.527 -0.001 0.000 0.356 109 F C 0.892 176.773 175.800 0.135 0.000 1.110 109 F CA -0.152 57.879 58.000 0.052 0.000 1.161 109 F CB 1.390 40.380 39.000 -0.016 0.000 1.115 109 F HN 0.549 nan 8.300 nan 0.000 0.507 110 A N 1.514 124.545 122.820 0.351 0.000 2.674 110 A HA 0.170 4.489 4.320 -0.002 0.000 0.286 110 A C 1.079 178.835 177.584 0.286 0.000 0.980 110 A CA -0.124 52.079 52.037 0.277 0.000 1.028 110 A CB -0.760 18.361 19.000 0.203 0.000 1.199 110 A HN 0.744 nan 8.150 nan 0.000 0.499 111 T N -3.078 111.681 114.554 0.342 0.000 3.163 111 T HA 0.371 4.720 4.350 -0.002 0.000 0.260 111 T C 1.487 176.337 174.700 0.249 0.000 1.156 111 T CA 1.100 63.377 62.100 0.294 0.000 1.072 111 T CB -0.459 68.593 68.868 0.307 0.000 0.937 111 T HN 1.882 nan 8.240 nan 0.000 0.528 112 G N 1.777 110.725 108.800 0.245 0.000 2.582 112 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.288 112 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.288 112 G C 0.062 175.086 174.900 0.207 0.000 1.247 112 G CA 0.485 45.718 45.100 0.221 0.000 0.972 112 G HN 1.588 nan 8.290 nan 0.000 0.557 113 S N -1.412 114.420 115.700 0.219 0.000 2.704 113 S HA 0.814 5.283 4.470 -0.002 0.000 0.296 113 S C -0.719 174.008 174.600 0.212 0.000 1.138 113 S CA -0.238 58.096 58.200 0.222 0.000 0.875 113 S CB 2.436 65.806 63.200 0.284 0.000 1.151 113 S HN 1.060 nan 8.310 nan 0.000 0.500 114 Q N -0.119 119.763 119.800 0.136 0.000 2.451 114 Q HA 0.559 4.897 4.340 -0.002 0.000 0.281 114 Q C -2.987 172.925 176.000 -0.148 0.000 1.099 114 Q CA -2.439 53.324 55.803 -0.067 0.000 0.806 114 Q CB 1.765 30.553 28.738 0.084 0.000 1.419 114 Q HN 0.386 nan 8.270 nan 0.000 0.427 115 P HA 0.019 nan 4.420 nan 0.000 0.269 115 P C -0.726 176.517 177.300 -0.096 0.000 1.209 115 P CA 0.243 63.200 63.100 -0.238 0.000 0.776 115 P CB 0.504 32.059 31.700 -0.241 0.000 0.876 116 I N 2.689 123.238 120.570 -0.035 0.000 2.474 116 I HA 0.139 4.308 4.170 -0.002 0.000 0.287 116 I C 0.257 176.418 176.117 0.073 0.000 1.048 116 I CA -0.194 61.111 61.300 0.008 0.000 1.383 116 I CB 0.553 38.551 38.000 -0.003 0.000 1.412 116 I HN 0.174 nan 8.210 nan 0.000 0.531 117 L N 9.988 131.258 121.223 0.078 0.000 2.433 117 L HA 0.527 4.866 4.340 -0.002 0.000 0.256 117 L C -2.104 174.811 176.870 0.075 0.000 1.063 117 L CA -1.528 53.392 54.840 0.133 0.000 0.922 117 L CB 0.339 42.507 42.059 0.182 0.000 1.238 117 L HN 0.332 nan 8.230 nan 0.000 0.466 118 P HA 0.304 nan 4.420 nan 0.000 0.274 118 P C -2.645 174.676 177.300 0.034 0.000 1.260 118 P CA -1.276 61.842 63.100 0.029 0.000 0.793 118 P CB -0.418 31.292 31.700 0.016 0.000 1.048 119 P HA 0.239 nan 4.420 nan 0.000 0.263 119 P C -0.561 176.752 177.300 0.022 0.000 1.276 119 P CA 0.756 63.870 63.100 0.023 0.000 0.986 119 P CB -0.351 31.358 31.700 0.015 0.000 1.105 120 I N 2.677 123.263 120.570 0.027 0.000 2.447 120 I HA 0.263 4.432 4.170 -0.002 0.000 0.287 120 I C 0.578 176.709 176.117 0.022 0.000 1.023 120 I CA -1.151 60.161 61.300 0.021 0.000 1.083 120 I CB 2.000 40.009 38.000 0.015 0.000 1.245 120 I HN 0.088 nan 8.210 nan 0.000 0.434 121 K N 4.769 125.179 120.400 0.017 0.000 2.447 121 K HA 0.250 4.568 4.320 -0.002 0.000 0.281 121 K C 1.083 177.692 176.600 0.015 0.000 1.031 121 K CA 1.265 57.561 56.287 0.016 0.000 1.019 121 K CB 0.362 32.869 32.500 0.011 0.000 0.918 121 K HN 0.932 nan 8.250 nan 0.000 0.476 122 G N 1.997 110.809 108.800 0.020 0.000 2.195 122 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.246 122 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.246 122 G C -0.104 174.813 174.900 0.028 0.000 0.984 122 G CA 0.057 45.168 45.100 0.019 0.000 0.633 122 G HN 0.889 nan 8.290 nan 0.000 0.525 123 A N 0.464 123.307 122.820 0.039 0.000 2.277 123 A HA 0.774 5.093 4.320 -0.002 0.000 0.318 123 A C -0.082 177.569 177.584 0.113 0.000 1.339 123 A CA -0.024 52.053 52.037 0.067 0.000 0.875 123 A CB 0.673 19.699 19.000 0.044 0.000 1.158 123 A HN 0.433 nan 8.150 nan 0.000 0.514 124 E N 1.678 121.959 120.200 0.135 0.000 2.390 124 E HA 0.441 4.790 4.350 -0.002 0.000 0.277 124 E C -1.265 175.428 176.600 0.155 0.000 0.939 124 E CA -0.651 55.826 56.400 0.129 0.000 0.769 124 E CB 2.301 32.047 29.700 0.077 0.000 1.251 124 E HN 0.619 nan 8.360 nan 0.000 0.450 125 I N 2.250 122.888 120.570 0.113 0.000 2.365 125 I HA 0.167 4.336 4.170 -0.002 0.000 0.291 125 I C 0.225 176.371 176.117 0.048 0.000 1.004 125 I CA -0.587 60.760 61.300 0.079 0.000 1.311 125 I CB 0.747 38.740 38.000 -0.011 0.000 1.401 125 I HN 0.253 nan 8.210 nan 0.000 0.491 126 K N 4.866 125.294 120.400 0.047 0.000 2.530 126 K HA -0.086 4.233 4.320 -0.002 0.000 0.280 126 K C 0.133 176.738 176.600 0.007 0.000 1.004 126 K CA 0.248 56.551 56.287 0.027 0.000 1.071 126 K CB 0.275 32.790 32.500 0.024 0.000 0.876 126 K HN 0.487 nan 8.250 nan 0.000 0.487 127 E N 1.268 121.473 120.200 0.008 0.000 2.480 127 E HA -0.043 4.306 4.350 -0.002 0.000 0.258 127 E C 0.919 177.514 176.600 -0.008 0.000 0.984 127 E CA 1.186 57.586 56.400 0.001 0.000 0.930 127 E CB 0.060 29.763 29.700 0.005 0.000 0.936 127 E HN 0.703 nan 8.360 nan 0.000 0.466 128 G N 3.200 111.989 108.800 -0.018 0.000 2.217 128 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.246 128 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.246 128 G C 0.196 175.070 174.900 -0.044 0.000 0.990 128 G CA 0.276 45.361 45.100 -0.025 0.000 0.627 128 G HN 1.087 nan 8.290 nan 0.000 0.522 129 S N 0.222 115.888 115.700 -0.057 0.000 2.528 129 S HA 0.642 5.111 4.470 -0.002 0.000 0.277 129 S C 0.962 175.456 174.600 -0.176 0.000 1.297 129 S CA -0.287 57.858 58.200 -0.092 0.000 1.052 129 S CB 1.406 64.560 63.200 -0.076 0.000 0.917 129 S HN 0.565 nan 8.310 nan 0.000 0.492 130 L N 1.917 123.016 121.223 -0.206 0.000 2.741 130 L HA 0.327 4.665 4.340 -0.002 0.000 0.237 130 L C 1.142 177.695 176.870 -0.529 0.000 1.178 130 L CA 0.157 54.811 54.840 -0.311 0.000 0.973 130 L CB -0.320 41.641 42.059 -0.163 0.000 1.255 130 L HN 0.772 nan 8.230 nan 0.000 0.498 131 E N -0.180 119.727 120.200 -0.488 0.000 2.630 131 E HA 0.158 4.507 4.350 -0.002 0.000 0.218 131 E C -0.480 175.920 176.600 -0.333 0.000 0.977 131 E CA -0.318 55.828 56.400 -0.422 0.000 1.038 131 E CB 0.513 30.143 29.700 -0.117 0.000 1.051 131 E HN 0.246 nan 8.360 nan 0.000 0.487 132 F N 1.462 121.374 119.950 -0.063 0.000 2.983 132 F HA -0.249 4.277 4.527 -0.002 0.000 0.288 132 F C 0.378 176.163 175.800 -0.025 0.000 0.980 132 F CA 0.346 58.235 58.000 -0.186 0.000 0.965 132 F CB -1.635 37.204 39.000 -0.268 0.000 0.967 132 F HN 0.115 nan 8.300 nan 0.000 0.800 133 E N 1.565 121.823 120.200 0.097 0.000 2.200 133 E HA 0.678 5.027 4.350 -0.002 0.000 0.283 133 E C 0.181 176.888 176.600 0.179 0.000 1.015 133 E CA -0.176 56.311 56.400 0.145 0.000 0.819 133 E CB 1.266 31.007 29.700 0.068 0.000 1.081 133 E HN 0.391 nan 8.360 nan 0.000 0.397 134 A N 2.927 125.901 122.820 0.256 0.000 2.351 134 A HA 0.168 4.487 4.320 -0.002 0.000 0.257 134 A C 1.171 178.831 177.584 0.127 0.000 1.087 134 A CA 0.116 52.300 52.037 0.244 0.000 0.798 134 A CB 0.624 19.766 19.000 0.237 0.000 1.033 134 A HN 0.848 nan 8.150 nan 0.000 0.488 135 T N -0.257 114.360 114.554 0.104 0.000 2.985 135 T HA 0.040 4.389 4.350 -0.002 0.000 0.266 135 T C 0.551 175.279 174.700 0.047 0.000 1.076 135 T CA 0.730 62.868 62.100 0.064 0.000 1.135 135 T CB -0.387 68.513 68.868 0.054 0.000 0.890 135 T HN 0.444 nan 8.240 nan 0.000 0.480 136 L N 2.358 123.609 121.223 0.047 0.000 2.276 136 L HA 0.431 4.770 4.340 -0.002 0.000 0.286 136 L C 0.075 176.955 176.870 0.017 0.000 1.061 136 L CA -0.962 53.893 54.840 0.024 0.000 0.807 136 L CB 0.919 42.986 42.059 0.013 0.000 1.177 136 L HN 0.230 nan 8.230 nan 0.000 0.429 137 E N 4.689 124.894 120.200 0.009 0.000 2.415 137 E HA 0.008 4.357 4.350 -0.002 0.000 0.263 137 E C -0.016 176.575 176.600 -0.014 0.000 0.995 137 E CA 0.192 56.594 56.400 0.002 0.000 0.915 137 E CB 0.230 29.930 29.700 0.001 0.000 0.951 137 E HN 0.786 nan 8.360 nan 0.000 0.449 138 N N 1.543 120.231 118.700 -0.019 0.000 2.979 138 N HA -0.207 4.532 4.740 -0.002 0.000 0.234 138 N C -0.859 174.609 175.510 -0.070 0.000 0.938 138 N CA 0.624 53.647 53.050 -0.045 0.000 0.961 138 N CB -1.175 37.281 38.487 -0.053 0.000 1.089 138 N HN 0.395 nan 8.380 nan 0.000 0.576 139 L N 2.223 123.412 121.223 -0.056 0.000 2.264 139 L HA 0.403 4.742 4.340 -0.002 0.000 0.289 139 L C -0.178 176.631 176.870 -0.101 0.000 1.044 139 L CA 0.073 54.852 54.840 -0.102 0.000 0.807 139 L CB 1.005 43.018 42.059 -0.076 0.000 1.192 139 L HN -0.019 nan 8.230 nan 0.000 0.425 140 Q N 4.589 124.282 119.800 -0.178 0.000 2.413 140 Q HA 0.492 4.830 4.340 -0.002 0.000 0.276 140 Q C -1.420 174.422 176.000 -0.262 0.000 1.099 140 Q CA -0.405 55.333 55.803 -0.109 0.000 0.814 140 Q CB 2.472 31.189 28.738 -0.036 0.000 1.379 140 Q HN 0.543 nan 8.270 nan 0.000 0.436 141 F N -0.255 119.718 119.950 0.038 0.000 2.538 141 F HA 0.529 5.055 4.527 -0.002 0.000 0.325 141 F C -0.007 175.815 175.800 0.036 0.000 1.066 141 F CA -0.960 57.051 58.000 0.018 0.000 0.946 141 F CB 1.895 40.916 39.000 0.034 0.000 1.199 141 F HN 0.117 nan 8.300 nan 0.000 0.473 142 V N 2.905 122.932 119.914 0.188 0.000 2.327 142 V HA 0.322 4.441 4.120 -0.002 0.000 0.272 142 V C 0.045 176.233 176.094 0.157 0.000 1.019 142 V CA -0.498 61.889 62.300 0.146 0.000 0.814 142 V CB 1.093 32.968 31.823 0.086 0.000 1.040 142 V HN 0.934 nan 8.190 nan 0.000 0.440 143 K N 3.443 123.974 120.400 0.219 0.000 2.703 143 K HA 0.416 4.735 4.320 -0.002 0.000 0.196 143 K C 0.146 176.992 176.600 0.410 0.000 1.457 143 K CA -0.131 56.311 56.287 0.259 0.000 1.115 143 K CB 0.650 33.200 32.500 0.082 0.000 1.661 143 K HN 0.468 nan 8.250 nan 0.000 0.552 144 L N 1.435 122.903 121.223 0.408 0.000 2.375 144 L HA 0.242 4.581 4.340 -0.002 0.000 0.268 144 L C 1.050 178.059 176.870 0.233 0.000 1.058 144 L CA -0.686 54.378 54.840 0.373 0.000 0.803 144 L CB 0.421 42.678 42.059 0.330 0.000 1.212 144 L HN 0.140 nan 8.230 nan 0.000 0.451 145 Y N 1.342 121.466 120.300 -0.292 0.000 2.102 145 Y HA -0.357 4.192 4.550 -0.002 0.000 0.280 145 Y C 2.284 178.187 175.900 0.005 0.000 1.178 145 Y CA 2.180 59.969 58.100 -0.518 0.000 1.146 145 Y CB -0.090 37.882 38.460 -0.814 0.000 0.968 145 Y HN 0.627 nan 8.280 nan 0.000 0.504 146 Q N 0.433 120.204 119.800 -0.047 0.000 2.135 146 Q HA -0.184 4.155 4.340 -0.002 0.000 0.204 146 Q C 1.954 177.911 176.000 -0.072 0.000 0.981 146 Q CA 2.088 57.834 55.803 -0.095 0.000 0.856 146 Q CB -0.540 28.217 28.738 0.033 0.000 0.902 146 Q HN 0.671 nan 8.270 nan 0.000 0.425 147 N N -0.241 118.479 118.700 0.033 0.000 2.094 147 N HA -0.190 4.549 4.740 -0.002 0.000 0.191 147 N C 1.702 177.184 175.510 -0.047 0.000 1.023 147 N CA 1.430 54.519 53.050 0.066 0.000 0.857 147 N CB -0.118 38.480 38.487 0.185 0.000 1.013 147 N HN 0.305 nan 8.380 nan 0.000 0.426 148 S N 0.546 116.157 115.700 -0.149 0.000 2.395 148 S HA 0.094 4.563 4.470 -0.002 0.000 0.225 148 S C 2.145 176.387 174.600 -0.596 0.000 1.027 148 S CA 0.583 58.542 58.200 -0.402 0.000 0.965 148 S CB -0.265 62.590 63.200 -0.576 0.000 0.812 148 S HN 0.342 nan 8.310 nan 0.000 0.482 149 A N 2.296 124.793 122.820 -0.539 0.000 1.933 149 A HA -0.147 4.171 4.320 -0.002 0.000 0.218 149 A C 2.001 179.473 177.584 -0.185 0.000 1.175 149 A CA 1.885 53.721 52.037 -0.336 0.000 0.628 149 A CB -1.063 17.793 19.000 -0.241 0.000 0.814 149 A HN 0.547 nan 8.150 nan 0.000 0.444 150 D N -0.313 120.003 120.400 -0.141 0.000 2.097 150 D HA -0.115 4.524 4.640 -0.002 0.000 0.195 150 D C 1.869 178.133 176.300 -0.059 0.000 0.989 150 D CA 1.575 55.537 54.000 -0.063 0.000 0.827 150 D CB -0.246 40.542 40.800 -0.019 0.000 0.966 150 D HN 0.139 nan 8.370 nan 0.000 0.456 151 V N 0.748 120.615 119.914 -0.078 0.000 2.343 151 V HA -0.213 3.906 4.120 -0.002 0.000 0.247 151 V C 2.653 178.722 176.094 -0.041 0.000 1.051 151 V CA 1.346 63.627 62.300 -0.032 0.000 1.036 151 V CB -0.379 31.451 31.823 0.012 0.000 0.654 151 V HN 0.299 nan 8.190 nan 0.000 0.451 152 I N 0.182 120.673 120.570 -0.132 0.000 2.286 152 I HA -0.232 3.937 4.170 -0.002 0.000 0.248 152 I C 2.611 178.707 176.117 -0.036 0.000 1.115 152 I CA 1.331 62.567 61.300 -0.106 0.000 1.392 152 I CB -0.540 37.344 38.000 -0.194 0.000 1.065 152 I HN 0.304 nan 8.210 nan 0.000 0.418 153 A N 0.703 123.500 122.820 -0.037 0.000 1.877 153 A HA -0.229 4.090 4.320 -0.002 0.000 0.216 153 A C 2.244 179.826 177.584 -0.003 0.000 1.186 153 A CA 1.699 53.731 52.037 -0.008 0.000 0.620 153 A CB -0.387 18.607 19.000 -0.009 0.000 0.822 153 A HN 0.181 nan 8.150 nan 0.000 0.443 154 K N -0.075 120.319 120.400 -0.010 0.000 2.097 154 K HA 0.076 4.395 4.320 -0.002 0.000 0.206 154 K C 1.636 178.233 176.600 -0.005 0.000 1.049 154 K CA 0.856 57.137 56.287 -0.010 0.000 0.933 154 K CB -0.461 32.027 32.500 -0.019 0.000 0.717 154 K HN 0.497 nan 8.250 nan 0.000 0.442 155 L N 0.938 122.165 121.223 0.007 0.000 2.353 155 L HA -0.181 4.158 4.340 -0.002 0.000 0.220 155 L C 1.870 178.753 176.870 0.021 0.000 1.133 155 L CA 0.689 55.543 54.840 0.023 0.000 0.798 155 L CB -0.423 41.670 42.059 0.056 0.000 0.922 155 L HN 0.250 nan 8.230 nan 0.000 0.445 156 E N 1.227 121.437 120.200 0.017 0.000 2.002 156 E HA -0.192 4.157 4.350 -0.002 0.000 0.205 156 E C 0.668 177.278 176.600 0.016 0.000 1.020 156 E CA 1.018 57.429 56.400 0.020 0.000 0.856 156 E CB -0.944 28.768 29.700 0.019 0.000 0.788 156 E HN 0.666 nan 8.360 nan 0.000 0.477 157 N N 1.863 120.569 118.700 0.010 0.000 2.301 157 N HA -0.101 4.638 4.740 -0.002 0.000 0.267 157 N C 0.213 175.726 175.510 0.005 0.000 1.304 157 N CA 0.330 53.384 53.050 0.007 0.000 0.851 157 N CB 0.400 38.888 38.487 0.002 0.000 1.070 157 N HN -0.020 nan 8.380 nan 0.000 0.483 158 K N 1.343 121.748 120.400 0.007 0.000 2.520 158 K HA -0.164 4.155 4.320 -0.002 0.000 0.197 158 K C 0.119 176.719 176.600 0.000 0.000 1.043 158 K CA 1.135 57.426 56.287 0.007 0.000 0.944 158 K CB -0.066 32.439 32.500 0.009 0.000 0.770 158 K HN 0.644 nan 8.250 nan 0.000 0.480 159 D N 0.664 121.062 120.400 -0.003 0.000 2.218 159 D HA -0.100 4.539 4.640 -0.002 0.000 0.204 159 D C 0.277 176.567 176.300 -0.017 0.000 0.976 159 D CA 0.804 54.799 54.000 -0.009 0.000 0.853 159 D CB 0.118 40.912 40.800 -0.009 0.000 0.939 159 D HN 0.055 nan 8.370 nan 0.000 0.481 160 I N 1.546 122.104 120.570 -0.020 0.000 2.311 160 I HA 0.062 4.231 4.170 -0.002 0.000 0.297 160 I C 1.067 177.165 176.117 -0.031 0.000 1.131 160 I CA 0.404 61.682 61.300 -0.036 0.000 1.289 160 I CB 0.493 38.466 38.000 -0.045 0.000 1.446 160 I HN -0.044 nan 8.210 nan 0.000 0.524 161 K N 5.127 125.508 120.400 -0.032 0.000 2.329 161 K HA 0.223 4.542 4.320 -0.002 0.000 0.198 161 K C 0.254 176.835 176.600 -0.033 0.000 1.085 161 K CA 0.252 56.526 56.287 -0.022 0.000 0.961 161 K CB 0.580 33.072 32.500 -0.013 0.000 0.971 161 K HN 0.438 nan 8.250 nan 0.000 0.502 162 R N 1.148 121.616 120.500 -0.053 0.000 2.562 162 R HA 0.486 4.825 4.340 -0.002 0.000 0.298 162 R C -1.121 175.104 176.300 -0.126 0.000 0.961 162 R CA -0.670 55.391 56.100 -0.066 0.000 0.881 162 R CB 2.420 32.696 30.300 -0.040 0.000 1.159 162 R HN -0.203 nan 8.270 nan 0.000 0.450 163 V N 1.493 121.306 119.914 -0.169 0.000 2.656 163 V HA 0.643 4.762 4.120 -0.002 0.000 0.307 163 V C -0.438 175.519 176.094 -0.229 0.000 1.051 163 V CA -0.920 61.206 62.300 -0.290 0.000 0.893 163 V CB 1.902 33.370 31.823 -0.592 0.000 0.999 163 V HN 0.944 nan 8.190 nan 0.000 0.426 164 A N 4.171 126.858 122.820 -0.222 0.000 2.304 164 A HA 0.834 5.153 4.320 -0.002 0.000 0.323 164 A C -0.748 176.736 177.584 -0.166 0.000 1.195 164 A CA -0.513 51.415 52.037 -0.182 0.000 0.826 164 A CB 1.305 20.204 19.000 -0.167 0.000 1.184 164 A HN 0.704 nan 8.150 nan 0.000 0.496 165 V N 3.679 123.530 119.914 -0.105 0.000 2.357 165 V HA 0.302 4.421 4.120 -0.002 0.000 0.284 165 V C -0.231 175.832 176.094 -0.053 0.000 1.018 165 V CA -0.493 61.779 62.300 -0.047 0.000 0.841 165 V CB 1.396 33.250 31.823 0.052 0.000 0.991 165 V HN 0.609 nan 8.190 nan 0.000 0.437 166 V N 4.256 124.126 119.914 -0.073 0.000 2.348 166 V HA 0.858 4.977 4.120 -0.002 0.000 0.270 166 V C 0.645 176.707 176.094 -0.054 0.000 1.037 166 V CA 0.298 62.560 62.300 -0.064 0.000 0.872 166 V CB 0.684 32.455 31.823 -0.087 0.000 1.002 166 V HN 1.232 nan 8.190 nan 0.000 0.464 167 G N 4.074 112.858 108.800 -0.026 0.000 3.400 167 G HA2 0.314 4.272 3.960 -0.002 0.000 0.679 167 G HA3 0.314 4.272 3.960 -0.002 0.000 0.679 167 G C -0.219 174.672 174.900 -0.014 0.000 1.239 167 G CA -0.297 44.779 45.100 -0.039 0.000 1.049 167 G HN 1.299 nan 8.290 nan 0.000 0.539 168 A N 1.570 124.382 122.820 -0.014 0.000 2.708 168 A HA 0.763 5.082 4.320 -0.002 0.000 0.293 168 A C 1.431 179.020 177.584 0.009 0.000 1.303 168 A CA 1.106 53.145 52.037 0.003 0.000 0.949 168 A CB -0.191 18.764 19.000 -0.074 0.000 1.121 168 A HN 1.985 nan 8.150 nan 0.000 0.542 169 G N -1.059 107.750 108.800 0.015 0.000 2.508 169 G HA2 0.305 4.264 3.960 -0.002 0.000 0.278 169 G HA3 0.305 4.264 3.960 -0.002 0.000 0.278 169 G C 0.747 175.682 174.900 0.058 0.000 1.389 169 G CA 0.154 45.325 45.100 0.118 0.000 1.050 169 G HN 0.637 nan 8.290 nan 0.000 0.522 170 Y N -1.259 119.056 120.300 0.025 0.000 2.274 170 Y HA 0.015 4.563 4.550 -0.002 0.000 0.290 170 Y C 2.332 178.212 175.900 -0.033 0.000 1.145 170 Y CA 1.137 59.188 58.100 -0.082 0.000 1.203 170 Y CB -0.553 37.755 38.460 -0.253 0.000 0.984 170 Y HN 0.201 nan 8.280 nan 0.000 0.533 171 I N 1.157 121.491 120.570 -0.394 0.000 2.202 171 I HA -0.170 3.999 4.170 -0.002 0.000 0.242 171 I C 2.812 178.875 176.117 -0.090 0.000 1.091 171 I CA 1.485 62.662 61.300 -0.206 0.000 1.368 171 I CB -0.980 36.821 38.000 -0.331 0.000 1.058 171 I HN 0.455 nan 8.210 nan 0.000 0.410 172 G N 0.521 109.265 108.800 -0.093 0.000 2.422 172 G HA2 -0.180 3.778 3.960 -0.002 0.000 0.218 172 G HA3 -0.180 3.778 3.960 -0.002 0.000 0.218 172 G C 1.715 176.629 174.900 0.023 0.000 1.146 172 G CA 0.839 45.927 45.100 -0.021 0.000 0.769 172 G HN 0.238 nan 8.290 nan 0.000 0.547 173 V N 0.694 120.626 119.914 0.030 0.000 2.358 173 V HA -0.157 3.962 4.120 -0.002 0.000 0.246 173 V C 2.675 178.767 176.094 -0.003 0.000 1.047 173 V CA 2.136 64.463 62.300 0.045 0.000 1.035 173 V CB -0.436 31.423 31.823 0.059 0.000 0.658 173 V HN 0.476 nan 8.190 nan 0.000 0.452 174 E N -0.010 120.182 120.200 -0.014 0.000 2.106 174 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 174 E C 2.234 178.764 176.600 -0.116 0.000 0.984 174 E CA 1.099 57.461 56.400 -0.064 0.000 0.806 174 E CB -0.154 29.538 29.700 -0.014 0.000 0.750 174 E HN 0.501 nan 8.360 nan 0.000 0.458 175 L N 0.535 121.701 121.223 -0.095 0.000 2.156 175 L HA -0.102 4.237 4.340 -0.002 0.000 0.208 175 L C 2.584 179.395 176.870 -0.098 0.000 1.095 175 L CA 0.672 55.399 54.840 -0.189 0.000 0.770 175 L CB -0.430 41.598 42.059 -0.052 0.000 0.914 175 L HN 0.129 nan 8.230 nan 0.000 0.439 176 A N 0.124 122.975 122.820 0.052 0.000 1.902 176 A HA -0.273 4.046 4.320 -0.002 0.000 0.217 176 A C 2.281 179.916 177.584 0.086 0.000 1.181 176 A CA 1.985 54.107 52.037 0.141 0.000 0.623 176 A CB -0.506 18.564 19.000 0.117 0.000 0.818 176 A HN 0.491 nan 8.150 nan 0.000 0.443 177 E N -0.125 120.050 120.200 -0.042 0.000 2.106 177 E HA -0.092 4.257 4.350 -0.002 0.000 0.192 177 E C 2.109 178.626 176.600 -0.140 0.000 0.984 177 E CA 0.978 57.287 56.400 -0.151 0.000 0.806 177 E CB -0.270 29.134 29.700 -0.494 0.000 0.750 177 E HN 0.516 nan 8.360 nan 0.000 0.458 178 A N 0.571 123.255 122.820 -0.227 0.000 1.877 178 A HA -0.154 4.165 4.320 -0.002 0.000 0.216 178 A C 1.946 179.387 177.584 -0.238 0.000 1.186 178 A CA 1.383 53.241 52.037 -0.297 0.000 0.620 178 A CB -1.013 17.695 19.000 -0.488 0.000 0.822 178 A HN 0.404 nan 8.150 nan 0.000 0.443 179 F N -0.555 119.386 119.950 -0.016 0.000 2.234 179 F HA -0.158 4.368 4.527 -0.002 0.000 0.299 179 F C 2.713 178.525 175.800 0.020 0.000 1.087 179 F CA 1.214 59.209 58.000 -0.008 0.000 1.340 179 F CB -0.004 38.985 39.000 -0.019 0.000 1.031 179 F HN 0.257 nan 8.300 nan 0.000 0.500 180 Q N 1.297 121.219 119.800 0.204 0.000 2.123 180 Q HA -0.130 4.209 4.340 -0.002 0.000 0.199 180 Q C 2.124 178.219 176.000 0.157 0.000 0.966 180 Q CA 1.351 57.265 55.803 0.186 0.000 0.845 180 Q CB -0.172 28.713 28.738 0.246 0.000 0.907 180 Q HN 0.360 nan 8.270 nan 0.000 0.439 181 R N -0.047 120.524 120.500 0.118 0.000 2.148 181 R HA -0.019 4.320 4.340 -0.002 0.000 0.227 181 R C 1.798 178.145 176.300 0.079 0.000 1.103 181 R CA 0.780 56.937 56.100 0.095 0.000 0.983 181 R CB 0.116 30.436 30.300 0.034 0.000 0.874 181 R HN 0.012 nan 8.270 nan 0.000 0.451 182 K N -0.255 120.194 120.400 0.083 0.000 2.505 182 K HA 0.074 4.393 4.320 -0.002 0.000 0.192 182 K C 0.835 177.489 176.600 0.089 0.000 1.025 182 K CA 0.731 57.070 56.287 0.086 0.000 1.086 182 K CB 0.670 33.237 32.500 0.111 0.000 0.840 182 K HN 0.411 nan 8.250 nan 0.000 0.514 183 G N 2.089 110.944 108.800 0.093 0.000 2.143 183 G HA2 -0.230 3.728 3.960 -0.002 0.000 0.248 183 G HA3 -0.230 3.728 3.960 -0.002 0.000 0.248 183 G C -0.103 174.838 174.900 0.068 0.000 0.991 183 G CA 0.130 45.275 45.100 0.075 0.000 0.689 183 G HN 0.151 nan 8.290 nan 0.000 0.522 184 K N 0.514 120.967 120.400 0.088 0.000 2.095 184 K HA 0.517 4.836 4.320 -0.002 0.000 0.252 184 K C 0.247 176.878 176.600 0.052 0.000 0.977 184 K CA -0.756 55.566 56.287 0.059 0.000 0.900 184 K CB 1.078 33.611 32.500 0.055 0.000 1.060 184 K HN 0.185 nan 8.250 nan 0.000 0.449 185 E N 1.410 121.620 120.200 0.018 0.000 2.316 185 E HA 0.196 4.545 4.350 -0.002 0.000 0.275 185 E C -0.413 176.185 176.600 -0.003 0.000 1.029 185 E CA -0.332 56.074 56.400 0.011 0.000 0.871 185 E CB 1.061 30.759 29.700 -0.002 0.000 1.022 185 E HN 0.158 nan 8.360 nan 0.000 0.418 186 V N 2.882 122.802 119.914 0.011 0.000 2.735 186 V HA 0.374 4.493 4.120 -0.002 0.000 0.310 186 V C -0.446 175.624 176.094 -0.039 0.000 1.061 186 V CA -0.933 61.366 62.300 -0.003 0.000 0.913 186 V CB 2.309 34.176 31.823 0.073 0.000 1.005 186 V HN 0.402 nan 8.190 nan 0.000 0.428 187 V N 6.361 126.220 119.914 -0.092 0.000 2.443 187 V HA 0.546 4.665 4.120 -0.002 0.000 0.293 187 V C -0.801 175.196 176.094 -0.161 0.000 1.021 187 V CA -0.405 61.795 62.300 -0.167 0.000 0.848 187 V CB 1.565 33.216 31.823 -0.287 0.000 0.998 187 V HN 0.787 nan 8.190 nan 0.000 0.424 188 L N 7.870 129.021 121.223 -0.121 0.000 2.261 188 L HA 0.567 4.906 4.340 -0.002 0.000 0.289 188 L C -0.556 176.305 176.870 -0.016 0.000 1.059 188 L CA -0.278 54.550 54.840 -0.021 0.000 0.816 188 L CB 0.999 43.117 42.059 0.098 0.000 1.191 188 L HN 0.601 nan 8.230 nan 0.000 0.431 189 I N 4.221 124.779 120.570 -0.020 0.000 2.377 189 I HA 0.408 4.577 4.170 -0.002 0.000 0.293 189 I C -0.510 175.667 176.117 0.100 0.000 0.987 189 I CA -0.356 60.947 61.300 0.006 0.000 1.185 189 I CB 1.731 39.666 38.000 -0.109 0.000 1.341 189 I HN 0.478 nan 8.210 nan 0.000 0.455 190 D N 3.970 124.479 120.400 0.180 0.000 2.837 190 D HA 0.105 4.744 4.640 -0.002 0.000 0.220 190 D C 0.134 176.481 176.300 0.079 0.000 1.236 190 D CA -0.460 53.594 54.000 0.090 0.000 0.838 190 D CB 3.189 43.994 40.800 0.008 0.000 1.647 190 D HN 0.303 nan 8.370 nan 0.000 0.486 191 V N 2.764 122.696 119.914 0.029 0.000 2.515 191 V HA -0.031 4.088 4.120 -0.002 0.000 0.250 191 V C 0.632 176.735 176.094 0.015 0.000 1.058 191 V CA 1.283 63.599 62.300 0.028 0.000 1.064 191 V CB 0.155 31.984 31.823 0.010 0.000 0.675 191 V HN 0.422 nan 8.190 nan 0.000 0.461 192 V N 1.598 121.495 119.914 -0.028 0.000 2.963 192 V HA 0.067 4.186 4.120 -0.002 0.000 0.306 192 V C 1.222 177.277 176.094 -0.064 0.000 1.077 192 V CA 0.344 62.606 62.300 -0.063 0.000 1.124 192 V CB 0.819 32.570 31.823 -0.119 0.000 0.987 192 V HN 0.470 nan 8.190 nan 0.000 0.487 193 D N 1.244 121.621 120.400 -0.038 0.000 2.352 193 D HA 0.066 4.705 4.640 -0.002 0.000 0.232 193 D C 0.623 176.901 176.300 -0.036 0.000 1.055 193 D CA 0.672 54.687 54.000 0.026 0.000 0.891 193 D CB 0.523 41.348 40.800 0.041 0.000 0.897 193 D HN 0.666 nan 8.370 nan 0.000 0.529 194 T N -1.038 113.321 114.554 -0.325 0.000 2.718 194 T HA 0.293 4.642 4.350 -0.002 0.000 0.306 194 T C -0.926 173.256 174.700 -0.863 0.000 1.485 194 T CA -0.775 60.993 62.100 -0.553 0.000 0.997 194 T CB 0.863 69.634 68.868 -0.163 0.000 1.504 194 T HN 0.202 nan 8.240 nan 0.000 0.497 195 C N 1.945 120.824 119.300 -0.701 0.000 2.362 195 C HA 0.771 5.230 4.460 -0.002 0.000 0.363 195 C C 1.496 176.445 174.990 -0.067 0.000 1.220 195 C CA -0.758 58.032 59.018 -0.382 0.000 2.379 195 C CB -1.162 26.517 27.740 -0.101 0.000 2.351 195 C HN 1.164 nan 8.230 nan 0.000 0.582 196 L N -0.658 120.618 121.223 0.088 0.000 3.976 196 L HA -0.226 4.113 4.340 -0.002 0.000 0.418 196 L C 1.194 178.220 176.870 0.260 0.000 1.177 196 L CA 0.495 55.543 54.840 0.346 0.000 0.968 196 L CB -2.178 40.124 42.059 0.404 0.000 1.933 196 L HN 1.121 nan 8.230 nan 0.000 0.976 197 A N 0.360 123.208 122.820 0.047 0.000 2.567 197 A HA 0.385 4.704 4.320 -0.002 0.000 0.240 197 A C 1.632 179.122 177.584 -0.157 0.000 1.053 197 A CA 1.142 53.152 52.037 -0.046 0.000 0.755 197 A CB 0.175 19.120 19.000 -0.090 0.000 0.978 197 A HN 1.430 nan 8.150 nan 0.000 0.507 198 G N 0.812 109.518 108.800 -0.156 0.000 2.199 198 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.254 198 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.254 198 G C 0.533 175.212 174.900 -0.367 0.000 0.982 198 G CA 1.140 46.074 45.100 -0.277 0.000 0.632 198 G HN 0.837 nan 8.290 nan 0.000 0.529 199 Y N -1.186 119.066 120.300 -0.080 0.000 2.539 199 Y HA 0.520 5.069 4.550 -0.001 0.000 0.284 199 Y C 1.118 176.648 175.900 -0.617 0.000 1.134 199 Y CA 0.141 58.066 58.100 -0.292 0.000 1.251 199 Y CB 0.362 38.737 38.460 -0.142 0.000 1.260 199 Y HN 0.296 nan 8.280 nan 0.000 0.528 200 Y N -0.379 120.003 120.300 0.138 0.000 2.581 200 Y HA 0.355 4.904 4.550 -0.002 0.000 0.345 200 Y C -0.365 175.547 175.900 0.020 0.000 1.036 200 Y CA -1.998 56.138 58.100 0.059 0.000 1.042 200 Y CB 0.942 39.435 38.460 0.056 0.000 1.289 200 Y HN -0.230 nan 8.280 nan 0.000 0.471 201 D N 0.955 121.450 120.400 0.158 0.000 2.344 201 D HA 0.093 4.732 4.640 -0.002 0.000 0.244 201 D C 1.217 177.566 176.300 0.081 0.000 1.134 201 D CA -0.186 53.861 54.000 0.079 0.000 0.930 201 D CB 1.072 41.898 40.800 0.043 0.000 1.175 201 D HN 0.522 nan 8.370 nan 0.000 0.437 202 R N 1.690 122.218 120.500 0.047 0.000 2.178 202 R HA -0.266 4.073 4.340 -0.002 0.000 0.257 202 R C 1.103 177.427 176.300 0.039 0.000 1.163 202 R CA 1.880 58.003 56.100 0.039 0.000 0.981 202 R CB -0.431 29.885 30.300 0.026 0.000 0.878 202 R HN 0.542 nan 8.270 nan 0.000 0.454 203 D N -0.135 120.286 120.400 0.035 0.000 2.127 203 D HA -0.175 4.464 4.640 -0.002 0.000 0.190 203 D C 2.078 178.389 176.300 0.018 0.000 1.000 203 D CA 1.933 55.947 54.000 0.024 0.000 0.839 203 D CB -0.191 40.621 40.800 0.021 0.000 0.955 203 D HN 0.318 nan 8.370 nan 0.000 0.446 204 L N -0.289 120.951 121.223 0.028 0.000 2.240 204 L HA -0.002 4.337 4.340 -0.002 0.000 0.211 204 L C 2.508 179.359 176.870 -0.032 0.000 1.106 204 L CA 1.255 56.085 54.840 -0.017 0.000 0.793 204 L CB -0.724 41.319 42.059 -0.027 0.000 0.927 204 L HN 0.222 nan 8.230 nan 0.000 0.446 205 T N -4.353 110.219 114.554 0.031 0.000 2.951 205 T HA -0.127 4.222 4.350 -0.002 0.000 0.268 205 T C 1.415 176.144 174.700 0.047 0.000 1.073 205 T CA 0.981 63.104 62.100 0.038 0.000 1.134 205 T CB -0.222 68.681 68.868 0.060 0.000 0.884 205 T HN 0.150 nan 8.240 nan 0.000 0.479 206 D N 1.087 121.514 120.400 0.044 0.000 2.117 206 D HA 0.018 4.657 4.640 -0.002 0.000 0.198 206 D C 1.963 178.285 176.300 0.037 0.000 0.982 206 D CA 0.480 54.512 54.000 0.055 0.000 0.828 206 D CB -0.484 40.340 40.800 0.039 0.000 0.967 206 D HN 0.238 nan 8.370 nan 0.000 0.464 207 L N 0.286 121.514 121.223 0.007 0.000 2.012 207 L HA -0.158 4.181 4.340 -0.002 0.000 0.210 207 L C 2.203 179.071 176.870 -0.003 0.000 1.073 207 L CA 1.576 56.410 54.840 -0.011 0.000 0.748 207 L CB -0.578 41.456 42.059 -0.042 0.000 0.891 207 L HN -0.010 nan 8.230 nan 0.000 0.431 208 M N -0.790 118.801 119.600 -0.014 0.000 2.175 208 M HA -0.054 4.425 4.480 -0.002 0.000 0.264 208 M C 2.153 178.498 176.300 0.074 0.000 1.063 208 M CA 1.888 57.191 55.300 0.006 0.000 1.119 208 M CB -0.677 31.904 32.600 -0.031 0.000 1.377 208 M HN 0.280 nan 8.290 nan 0.000 0.415 209 A N -0.138 122.746 122.820 0.107 0.000 1.883 209 A HA -0.216 4.103 4.320 -0.002 0.000 0.217 209 A C 2.155 179.792 177.584 0.088 0.000 1.186 209 A CA 2.244 54.376 52.037 0.157 0.000 0.624 209 A CB -0.819 18.311 19.000 0.216 0.000 0.822 209 A HN 0.483 nan 8.150 nan 0.000 0.444 210 K N 0.565 121.000 120.400 0.059 0.000 2.148 210 K HA -0.144 4.175 4.320 -0.002 0.000 0.204 210 K C 1.680 178.303 176.600 0.039 0.000 1.050 210 K CA 1.834 58.140 56.287 0.032 0.000 0.942 210 K CB -0.568 31.942 32.500 0.017 0.000 0.724 210 K HN 0.486 nan 8.250 nan 0.000 0.446 211 N N -0.106 118.629 118.700 0.059 0.000 2.120 211 N HA -0.091 4.648 4.740 -0.002 0.000 0.188 211 N C 1.571 177.167 175.510 0.143 0.000 1.024 211 N CA 1.785 54.890 53.050 0.091 0.000 0.852 211 N CB -0.032 38.503 38.487 0.080 0.000 1.003 211 N HN 0.263 nan 8.380 nan 0.000 0.424 212 M N -0.050 119.638 119.600 0.146 0.000 2.200 212 M HA -0.047 4.432 4.480 -0.002 0.000 0.265 212 M C 1.673 178.028 176.300 0.092 0.000 1.066 212 M CA 1.200 56.608 55.300 0.179 0.000 1.127 212 M CB -0.220 32.485 32.600 0.174 0.000 1.379 212 M HN 0.217 nan 8.290 nan 0.000 0.420 213 E N 0.491 120.716 120.200 0.043 0.000 2.204 213 E HA -0.167 4.182 4.350 -0.002 0.000 0.194 213 E C 1.411 177.983 176.600 -0.047 0.000 0.989 213 E CA 0.810 57.205 56.400 -0.009 0.000 0.824 213 E CB -0.140 29.545 29.700 -0.024 0.000 0.756 213 E HN 0.578 nan 8.360 nan 0.000 0.477 214 E N 0.044 120.213 120.200 -0.052 0.000 2.516 214 E HA -0.108 4.241 4.350 -0.002 0.000 0.199 214 E C 0.424 176.750 176.600 -0.456 0.000 1.069 214 E CA 0.533 56.820 56.400 -0.188 0.000 0.876 214 E CB 0.049 29.651 29.700 -0.162 0.000 0.843 214 E HN 0.384 nan 8.360 nan 0.000 0.530 215 H N -1.533 117.365 119.070 -0.287 0.000 2.662 215 H HA 0.239 4.794 4.556 -0.002 0.000 0.268 215 H C 0.973 176.205 175.328 -0.160 0.000 1.152 215 H CA 0.368 56.204 56.048 -0.353 0.000 1.072 215 H CB 1.343 30.577 29.762 -0.880 0.000 1.660 215 H HN 0.217 nan 8.280 nan 0.000 0.584 216 G N 0.721 109.493 108.800 -0.047 0.000 2.199 216 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.254 216 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.254 216 G C 0.285 175.192 174.900 0.011 0.000 0.982 216 G CA 0.017 45.107 45.100 -0.017 0.000 0.632 216 G HN 0.337 nan 8.290 nan 0.000 0.529 217 I N 1.593 122.187 120.570 0.040 0.000 2.598 217 I HA 0.173 4.342 4.170 -0.002 0.000 0.284 217 I C 0.920 177.026 176.117 -0.018 0.000 1.140 217 I CA 0.123 61.447 61.300 0.041 0.000 1.420 217 I CB 1.112 39.170 38.000 0.096 0.000 1.387 217 I HN 0.305 nan 8.210 nan 0.000 0.553 218 Q N 7.190 126.962 119.800 -0.047 0.000 2.256 218 Q HA 0.466 4.805 4.340 -0.002 0.000 0.254 218 Q C -1.404 174.489 176.000 -0.178 0.000 0.916 218 Q CA -0.665 55.082 55.803 -0.095 0.000 0.932 218 Q CB 1.129 29.825 28.738 -0.071 0.000 1.207 218 Q HN 0.588 nan 8.270 nan 0.000 0.426 219 L N 2.983 124.039 121.223 -0.278 0.000 2.282 219 L HA 0.636 4.975 4.340 -0.002 0.000 0.288 219 L C -0.283 176.269 176.870 -0.529 0.000 1.033 219 L CA -0.725 53.769 54.840 -0.577 0.000 0.807 219 L CB 1.544 43.068 42.059 -0.892 0.000 1.209 219 L HN 0.737 nan 8.230 nan 0.000 0.423 220 A N 4.678 127.206 122.820 -0.487 0.000 3.105 220 A HA 0.561 4.880 4.320 -0.002 0.000 0.336 220 A C -0.469 177.102 177.584 -0.023 0.000 1.042 220 A CA -0.444 51.461 52.037 -0.221 0.000 0.851 220 A CB -0.127 18.722 19.000 -0.251 0.000 1.068 220 A HN 0.579 nan 8.150 nan 0.000 0.477 221 F N 0.198 120.150 119.950 0.003 0.000 2.368 221 F HA 0.483 5.009 4.527 -0.002 0.000 0.315 221 F C 1.626 177.437 175.800 0.019 0.000 1.145 221 F CA 0.086 58.090 58.000 0.007 0.000 1.095 221 F CB 1.011 40.018 39.000 0.011 0.000 1.286 221 F HN 0.628 nan 8.300 nan 0.000 0.530 222 G N 1.565 110.501 108.800 0.228 0.000 2.273 222 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.280 222 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.280 222 G C -0.621 174.341 174.900 0.103 0.000 1.047 222 G CA -0.167 45.008 45.100 0.125 0.000 0.869 222 G HN 0.656 nan 8.290 nan 0.000 0.502 223 E N -0.366 119.899 120.200 0.108 0.000 2.275 223 E HA 0.442 4.791 4.350 -0.002 0.000 0.270 223 E C -0.648 175.995 176.600 0.071 0.000 0.882 223 E CA -0.647 55.809 56.400 0.094 0.000 0.758 223 E CB 1.609 31.386 29.700 0.128 0.000 1.195 223 E HN 0.102 nan 8.360 nan 0.000 0.419 224 T N 1.931 116.519 114.554 0.056 0.000 2.744 224 T HA 0.196 4.545 4.350 -0.002 0.000 0.291 224 T C 0.093 174.817 174.700 0.041 0.000 0.957 224 T CA -0.529 61.594 62.100 0.038 0.000 1.002 224 T CB 0.742 69.626 68.868 0.027 0.000 0.919 224 T HN 0.119 nan 8.240 nan 0.000 0.468 225 V N 5.212 125.145 119.914 0.031 0.000 2.529 225 V HA 0.092 4.210 4.120 -0.002 0.000 0.292 225 V C 1.214 177.322 176.094 0.023 0.000 1.028 225 V CA 0.445 62.763 62.300 0.030 0.000 1.074 225 V CB 0.691 32.518 31.823 0.007 0.000 0.958 225 V HN 0.860 nan 8.190 nan 0.000 0.481 226 K N 3.045 123.461 120.400 0.026 0.000 2.365 226 K HA 0.282 4.600 4.320 -0.002 0.000 0.195 226 K C 0.477 177.086 176.600 0.015 0.000 1.079 226 K CA 0.186 56.484 56.287 0.019 0.000 0.979 226 K CB 0.990 33.501 32.500 0.018 0.000 0.929 226 K HN 0.783 nan 8.250 nan 0.000 0.523 227 E N 0.417 120.627 120.200 0.016 0.000 2.380 227 E HA 0.212 4.561 4.350 -0.002 0.000 0.281 227 E C -1.852 174.753 176.600 0.008 0.000 0.999 227 E CA -0.543 55.863 56.400 0.010 0.000 0.800 227 E CB 2.225 31.930 29.700 0.009 0.000 1.228 227 E HN -0.221 nan 8.360 nan 0.000 0.436 228 V N 2.402 122.315 119.914 -0.001 0.000 2.378 228 V HA 0.774 4.893 4.120 -0.002 0.000 0.288 228 V C -0.148 175.943 176.094 -0.005 0.000 1.016 228 V CA -0.135 62.160 62.300 -0.009 0.000 0.840 228 V CB 0.806 32.612 31.823 -0.028 0.000 0.994 228 V HN 0.749 nan 8.190 nan 0.000 0.431 229 A N 3.629 126.446 122.820 -0.004 0.000 2.387 229 A HA 1.094 5.413 4.320 -0.002 0.000 0.298 229 A C 0.096 177.675 177.584 -0.007 0.000 1.165 229 A CA -0.271 51.764 52.037 -0.004 0.000 0.814 229 A CB 2.088 21.087 19.000 -0.002 0.000 1.357 229 A HN 1.705 nan 8.150 nan 0.000 0.443 230 G N -0.239 108.557 108.800 -0.006 0.000 2.358 230 G HA2 0.300 4.259 3.960 -0.002 0.000 0.303 230 G HA3 0.300 4.259 3.960 -0.002 0.000 0.303 230 G C -1.634 173.263 174.900 -0.005 0.000 1.537 230 G CA -1.012 44.083 45.100 -0.008 0.000 0.928 230 G HN 0.613 nan 8.290 nan 0.000 0.656 231 N N 0.963 119.660 118.700 -0.006 0.000 2.739 231 N HA 0.397 5.136 4.740 -0.002 0.000 0.266 231 N C 1.391 176.900 175.510 -0.003 0.000 1.168 231 N CA 1.190 54.238 53.050 -0.004 0.000 1.055 231 N CB 0.829 39.314 38.487 -0.004 0.000 1.393 231 N HN 1.899 nan 8.380 nan 0.000 0.514 232 G N 1.312 110.112 108.800 -0.001 0.000 2.225 232 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.254 232 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.254 232 G C 0.153 175.052 174.900 -0.001 0.000 0.988 232 G CA 0.833 45.933 45.100 0.000 0.000 0.625 232 G HN 0.644 nan 8.290 nan 0.000 0.527 233 K N -1.596 118.801 120.400 -0.005 0.000 2.556 233 K HA 0.715 5.033 4.320 -0.002 0.000 0.289 233 K C -0.579 176.012 176.600 -0.016 0.000 1.040 233 K CA -0.894 55.388 56.287 -0.010 0.000 0.894 233 K CB 1.242 33.735 32.500 -0.012 0.000 1.547 233 K HN 0.302 nan 8.250 nan 0.000 0.417 234 V N 1.427 121.326 119.914 -0.025 0.000 2.655 234 V HA 0.060 4.179 4.120 -0.002 0.000 0.300 234 V C 0.367 176.444 176.094 -0.028 0.000 1.044 234 V CA 0.621 62.902 62.300 -0.032 0.000 1.095 234 V CB 0.707 32.499 31.823 -0.052 0.000 0.952 234 V HN 0.906 nan 8.190 nan 0.000 0.485 235 E N 2.460 122.647 120.200 -0.021 0.000 2.655 235 E HA 0.239 4.587 4.350 -0.002 0.000 0.212 235 E C 0.057 176.652 176.600 -0.009 0.000 0.927 235 E CA -0.146 56.244 56.400 -0.017 0.000 1.406 235 E CB 1.089 30.781 29.700 -0.013 0.000 1.385 235 E HN 0.638 nan 8.360 nan 0.000 0.748 236 K N 1.165 121.562 120.400 -0.005 0.000 2.572 236 K HA 0.430 4.749 4.320 -0.002 0.000 0.263 236 K C -2.143 174.469 176.600 0.021 0.000 0.932 236 K CA -0.542 55.752 56.287 0.012 0.000 0.838 236 K CB 2.115 34.617 32.500 0.004 0.000 1.366 236 K HN 0.009 nan 8.250 nan 0.000 0.425 237 I N 5.199 125.805 120.570 0.060 0.000 2.465 237 I HA 0.493 4.662 4.170 -0.002 0.000 0.291 237 I C -1.409 174.784 176.117 0.127 0.000 1.014 237 I CA -0.964 60.379 61.300 0.071 0.000 1.093 237 I CB 1.157 39.188 38.000 0.050 0.000 1.267 237 I HN 0.581 nan 8.210 nan 0.000 0.431 238 I N 6.666 127.284 120.570 0.080 0.000 2.433 238 I HA 0.425 4.594 4.170 -0.002 0.000 0.292 238 I C 0.258 176.422 176.117 0.079 0.000 1.001 238 I CA -0.318 61.023 61.300 0.068 0.000 1.119 238 I CB 2.090 40.103 38.000 0.021 0.000 1.289 238 I HN 0.581 nan 8.210 nan 0.000 0.438 239 T N -0.648 113.966 114.554 0.101 0.000 2.870 239 T HA 0.262 4.611 4.350 -0.002 0.000 0.277 239 T C 0.641 175.372 174.700 0.051 0.000 1.000 239 T CA -0.563 61.593 62.100 0.094 0.000 0.982 239 T CB 1.385 70.349 68.868 0.160 0.000 1.249 239 T HN 0.649 nan 8.240 nan 0.000 0.589 240 D N -0.562 119.865 120.400 0.046 0.000 2.363 240 D HA 0.013 4.652 4.640 -0.002 0.000 0.220 240 D C 1.122 177.434 176.300 0.020 0.000 0.994 240 D CA 0.438 54.454 54.000 0.026 0.000 0.890 240 D CB 0.069 40.884 40.800 0.024 0.000 0.906 240 D HN 0.407 nan 8.370 nan 0.000 0.530 241 K N -0.715 119.704 120.400 0.031 0.000 2.436 241 K HA 0.222 4.541 4.320 -0.002 0.000 0.198 241 K C 0.396 176.982 176.600 -0.024 0.000 1.174 241 K CA 0.003 56.299 56.287 0.016 0.000 0.951 241 K CB 0.877 33.401 32.500 0.042 0.000 1.040 241 K HN 0.080 nan 8.250 nan 0.000 0.536 242 N N 0.405 119.081 118.700 -0.041 0.000 2.972 242 N HA 0.155 4.894 4.740 -0.002 0.000 0.262 242 N C -1.484 173.853 175.510 -0.288 0.000 1.478 242 N CA -0.468 52.447 53.050 -0.225 0.000 0.841 242 N CB 2.486 40.713 38.487 -0.433 0.000 1.512 242 N HN -0.064 nan 8.380 nan 0.000 0.548 243 E N 0.401 120.297 120.200 -0.507 0.000 2.272 243 E HA 0.448 4.797 4.350 -0.002 0.000 0.269 243 E C -1.609 174.638 176.600 -0.588 0.000 0.877 243 E CA -0.374 55.819 56.400 -0.345 0.000 0.755 243 E CB 1.333 30.922 29.700 -0.183 0.000 1.192 243 E HN 0.437 nan 8.360 nan 0.000 0.422 244 Y N 1.417 121.700 120.300 -0.028 0.000 2.425 244 Y HA 0.290 4.839 4.550 -0.002 0.000 0.344 244 Y C -0.617 175.262 175.900 -0.036 0.000 0.969 244 Y CA -1.093 56.987 58.100 -0.033 0.000 1.052 244 Y CB 1.810 40.248 38.460 -0.038 0.000 1.215 244 Y HN 0.400 nan 8.280 nan 0.000 0.451 245 D N 3.140 123.596 120.400 0.094 0.000 2.347 245 D HA 0.434 5.073 4.640 -0.002 0.000 0.235 245 D C -0.667 175.653 176.300 0.033 0.000 1.149 245 D CA 0.101 54.125 54.000 0.040 0.000 0.850 245 D CB 1.147 41.955 40.800 0.012 0.000 1.061 245 D HN 0.380 nan 8.370 nan 0.000 0.487 246 V N -0.446 119.474 119.914 0.011 0.000 3.078 246 V HA 0.503 4.622 4.120 -0.002 0.000 0.311 246 V C 0.068 176.136 176.094 -0.043 0.000 1.138 246 V CA -0.809 61.476 62.300 -0.025 0.000 1.007 246 V CB 2.682 34.477 31.823 -0.046 0.000 1.045 246 V HN 0.176 nan 8.190 nan 0.000 0.432 247 D N 1.472 121.833 120.400 -0.065 0.000 2.367 247 D HA 0.268 4.907 4.640 -0.002 0.000 0.207 247 D C 0.202 176.447 176.300 -0.091 0.000 1.034 247 D CA 0.863 54.823 54.000 -0.066 0.000 0.861 247 D CB 1.258 42.022 40.800 -0.060 0.000 0.943 247 D HN 0.644 nan 8.370 nan 0.000 0.515 248 M N 0.683 120.205 119.600 -0.130 0.000 2.471 248 M HA 0.302 4.781 4.480 -0.002 0.000 0.284 248 M C -2.376 173.804 176.300 -0.200 0.000 1.203 248 M CA -0.548 54.652 55.300 -0.168 0.000 0.915 248 M CB 2.820 35.286 32.600 -0.222 0.000 1.734 248 M HN -0.396 nan 8.290 nan 0.000 0.485 249 V N 4.829 124.629 119.914 -0.190 0.000 2.638 249 V HA 0.586 4.705 4.120 -0.002 0.000 0.306 249 V C -0.901 175.059 176.094 -0.223 0.000 1.052 249 V CA -0.743 61.439 62.300 -0.196 0.000 0.885 249 V CB 2.154 33.883 31.823 -0.157 0.000 0.999 249 V HN 0.633 nan 8.190 nan 0.000 0.424 250 I N 5.567 126.010 120.570 -0.212 0.000 2.362 250 I HA 0.426 4.595 4.170 -0.002 0.000 0.289 250 I C -0.276 175.718 176.117 -0.206 0.000 0.994 250 I CA -0.471 60.721 61.300 -0.178 0.000 1.158 250 I CB 1.694 39.675 38.000 -0.031 0.000 1.315 250 I HN 0.409 nan 8.210 nan 0.000 0.451 251 L N 5.997 127.013 121.223 -0.344 0.000 2.259 251 L HA 0.498 4.837 4.340 -0.002 0.000 0.288 251 L C 0.618 177.378 176.870 -0.184 0.000 1.051 251 L CA -0.314 54.340 54.840 -0.309 0.000 0.824 251 L CB 1.137 42.891 42.059 -0.509 0.000 1.206 251 L HN 0.722 nan 8.230 nan 0.000 0.429 252 A N 3.532 126.274 122.820 -0.131 0.000 3.113 252 A HA 0.376 4.695 4.320 -0.002 0.000 0.307 252 A C 0.927 178.412 177.584 -0.166 0.000 1.025 252 A CA -0.287 51.663 52.037 -0.145 0.000 1.012 252 A CB 0.317 19.243 19.000 -0.123 0.000 1.085 252 A HN 0.517 nan 8.150 nan 0.000 0.519 253 V N -0.070 119.762 119.914 -0.135 0.000 2.548 253 V HA 0.292 4.410 4.120 -0.002 0.000 0.249 253 V C 1.505 177.503 176.094 -0.160 0.000 1.055 253 V CA 1.784 64.016 62.300 -0.113 0.000 1.065 253 V CB -0.711 31.078 31.823 -0.056 0.000 0.681 253 V HN 1.100 nan 8.190 nan 0.000 0.462 254 G N -1.022 107.611 108.800 -0.277 0.000 2.356 254 G HA2 0.273 4.232 3.960 -0.002 0.000 0.288 254 G HA3 0.273 4.232 3.960 -0.002 0.000 0.288 254 G C -1.586 173.064 174.900 -0.416 0.000 1.302 254 G CA -0.841 44.033 45.100 -0.376 0.000 0.887 254 G HN 0.007 nan 8.290 nan 0.000 0.521 255 F N 0.040 120.034 119.950 0.073 0.000 2.522 255 F HA 0.890 5.416 4.527 -0.002 0.000 0.324 255 F C 0.551 176.422 175.800 0.119 0.000 1.077 255 F CA -0.993 57.063 58.000 0.092 0.000 0.944 255 F CB 2.178 41.266 39.000 0.148 0.000 1.175 255 F HN 0.439 nan 8.300 nan 0.000 0.468 256 R N 1.787 122.434 120.500 0.245 0.000 2.621 256 R HA 0.493 4.832 4.340 -0.002 0.000 0.292 256 R C -3.138 173.189 176.300 0.044 0.000 0.969 256 R CA -2.246 53.898 56.100 0.073 0.000 0.887 256 R CB 2.507 32.813 30.300 0.010 0.000 1.180 256 R HN 0.278 nan 8.270 nan 0.000 0.450 257 P HA -0.016 nan 4.420 nan 0.000 0.265 257 P C -0.786 176.464 177.300 -0.085 0.000 1.193 257 P CA 0.058 63.100 63.100 -0.096 0.000 0.765 257 P CB 0.423 31.953 31.700 -0.284 0.000 0.823 258 N N 2.473 121.161 118.700 -0.020 0.000 2.645 258 N HA 0.107 4.846 4.740 -0.002 0.000 0.233 258 N C -0.067 175.369 175.510 -0.124 0.000 1.058 258 N CA -0.084 52.959 53.050 -0.013 0.000 0.942 258 N CB -0.303 38.245 38.487 0.102 0.000 1.210 258 N HN 0.266 nan 8.380 nan 0.000 0.512 259 T N -1.523 112.858 114.554 -0.288 0.000 3.252 259 T HA 0.020 4.369 4.350 -0.002 0.000 0.286 259 T C 1.512 176.047 174.700 -0.274 0.000 1.013 259 T CA 0.144 61.904 62.100 -0.567 0.000 0.914 259 T CB -0.396 67.721 68.868 -1.251 0.000 1.131 259 T HN 0.310 nan 8.240 nan 0.000 0.529 260 T N 1.299 115.789 114.554 -0.106 0.000 2.737 260 T HA -0.104 4.244 4.350 -0.002 0.000 0.269 260 T C 1.811 176.536 174.700 0.043 0.000 1.040 260 T CA 0.902 62.986 62.100 -0.028 0.000 1.142 260 T CB -0.945 67.926 68.868 0.005 0.000 0.861 260 T HN 0.455 nan 8.240 nan 0.000 0.456 261 L N 1.150 122.425 121.223 0.087 0.000 2.551 261 L HA 0.055 4.394 4.340 -0.002 0.000 0.230 261 L C 2.946 179.988 176.870 0.286 0.000 1.163 261 L CA 0.774 55.729 54.840 0.193 0.000 0.826 261 L CB -0.904 41.331 42.059 0.292 0.000 0.943 261 L HN 0.518 nan 8.230 nan 0.000 0.452 262 G N -0.498 108.436 108.800 0.223 0.000 2.422 262 G HA2 -0.297 3.661 3.960 -0.002 0.000 0.218 262 G HA3 -0.297 3.661 3.960 -0.002 0.000 0.218 262 G C 0.915 175.923 174.900 0.179 0.000 1.140 262 G CA 0.677 45.940 45.100 0.272 0.000 0.775 262 G HN 0.667 nan 8.290 nan 0.000 0.545 263 N N -1.157 117.631 118.700 0.146 0.000 2.708 263 N HA -0.258 4.481 4.740 -0.002 0.000 0.251 263 N C 1.327 176.871 175.510 0.057 0.000 1.123 263 N CA 0.649 53.769 53.050 0.116 0.000 0.739 263 N CB -1.113 37.492 38.487 0.197 0.000 1.113 263 N HN 0.998 nan 8.380 nan 0.000 0.561 264 G N -0.862 107.954 108.800 0.026 0.000 2.179 264 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.260 264 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.260 264 G C 0.784 175.665 174.900 -0.031 0.000 0.977 264 G CA 0.967 46.066 45.100 -0.001 0.000 0.641 264 G HN 0.474 nan 8.290 nan 0.000 0.533 265 K N -0.266 120.085 120.400 -0.082 0.000 2.314 265 K HA 0.431 4.750 4.320 -0.002 0.000 0.198 265 K C 1.124 177.604 176.600 -0.200 0.000 1.045 265 K CA 0.545 56.716 56.287 -0.192 0.000 0.988 265 K CB 0.281 32.524 32.500 -0.429 0.000 0.783 265 K HN 0.579 nan 8.250 nan 0.000 0.484 266 I N 1.236 121.736 120.570 -0.117 0.000 2.441 266 I HA 0.137 4.306 4.170 -0.002 0.000 0.295 266 I C -0.444 175.708 176.117 0.059 0.000 0.994 266 I CA -1.080 60.204 61.300 -0.027 0.000 1.144 266 I CB 1.606 39.635 38.000 0.049 0.000 1.314 266 I HN -0.055 nan 8.210 nan 0.000 0.445 267 D N 6.363 126.798 120.400 0.058 0.000 2.424 267 D HA 0.338 4.977 4.640 -0.002 0.000 0.244 267 D C -0.328 176.045 176.300 0.122 0.000 1.134 267 D CA 0.430 54.472 54.000 0.070 0.000 0.881 267 D CB 1.091 41.928 40.800 0.061 0.000 1.191 267 D HN 0.237 nan 8.370 nan 0.000 0.445 268 L N 1.609 122.883 121.223 0.085 0.000 2.323 268 L HA 0.428 4.767 4.340 -0.002 0.000 0.265 268 L C 0.116 177.066 176.870 0.133 0.000 1.012 268 L CA -1.155 53.735 54.840 0.083 0.000 0.820 268 L CB 1.255 43.301 42.059 -0.022 0.000 1.334 268 L HN 0.217 nan 8.230 nan 0.000 0.427 269 F N 1.294 121.224 119.950 -0.034 0.000 2.403 269 F HA 0.236 4.762 4.527 -0.001 0.000 0.320 269 F C 1.725 177.490 175.800 -0.058 0.000 1.176 269 F CA -0.684 57.301 58.000 -0.024 0.000 1.206 269 F CB 0.822 39.816 39.000 -0.010 0.000 1.235 269 F HN 0.522 nan 8.300 nan 0.000 0.565 270 R N 1.267 121.329 120.500 -0.730 0.000 2.276 270 R HA -0.216 4.123 4.340 -0.002 0.000 0.243 270 R C 0.595 176.705 176.300 -0.316 0.000 1.161 270 R CA 1.865 57.656 56.100 -0.516 0.000 1.007 270 R CB -0.992 28.924 30.300 -0.639 0.000 0.867 270 R HN 0.677 nan 8.270 nan 0.000 0.472 271 N N -0.553 118.003 118.700 -0.241 0.000 2.203 271 N HA 0.094 4.833 4.740 -0.002 0.000 0.207 271 N C 0.892 176.300 175.510 -0.171 0.000 1.130 271 N CA 0.474 53.424 53.050 -0.166 0.000 0.861 271 N CB 1.090 39.486 38.487 -0.153 0.000 1.005 271 N HN 0.406 nan 8.380 nan 0.000 0.507 272 G N -0.440 108.277 108.800 -0.138 0.000 2.213 272 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.236 272 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.236 272 G C 0.310 175.063 174.900 -0.246 0.000 0.991 272 G CA 0.097 45.091 45.100 -0.177 0.000 0.629 272 G HN 0.784 nan 8.290 nan 0.000 0.517 273 A N 0.103 122.814 122.820 -0.183 0.000 2.445 273 A HA 0.607 4.926 4.320 -0.002 0.000 0.242 273 A C 0.254 177.786 177.584 -0.087 0.000 1.075 273 A CA -0.061 51.866 52.037 -0.183 0.000 0.777 273 A CB 0.050 19.004 19.000 -0.076 0.000 1.013 273 A HN 0.707 nan 8.150 nan 0.000 0.493 274 F N 1.004 120.969 119.950 0.025 0.000 2.541 274 F HA 0.155 4.681 4.527 -0.002 0.000 0.378 274 F C 0.658 176.490 175.800 0.054 0.000 1.068 274 F CA -0.077 57.936 58.000 0.022 0.000 1.199 274 F CB 0.470 39.480 39.000 0.016 0.000 1.091 274 F HN 0.441 nan 8.300 nan 0.000 0.555 275 L N 7.417 128.790 121.223 0.250 0.000 2.385 275 L HA 0.364 4.703 4.340 -0.002 0.000 0.281 275 L C -0.259 176.690 176.870 0.132 0.000 1.106 275 L CA -0.126 54.815 54.840 0.168 0.000 0.856 275 L CB 0.050 42.219 42.059 0.183 0.000 1.186 275 L HN 0.386 nan 8.230 nan 0.000 0.453 276 V N 2.709 122.682 119.914 0.098 0.000 3.019 276 V HA 0.761 4.880 4.120 -0.002 0.000 0.317 276 V C -0.170 175.959 176.094 0.058 0.000 1.094 276 V CA -0.868 61.479 62.300 0.080 0.000 1.000 276 V CB 1.758 33.643 31.823 0.104 0.000 1.060 276 V HN 0.875 nan 8.190 nan 0.000 0.443 277 N N 0.909 119.635 118.700 0.044 0.000 2.566 277 N HA 0.341 5.080 4.740 -0.002 0.000 0.299 277 N C 0.391 175.922 175.510 0.036 0.000 1.277 277 N CA -0.633 52.436 53.050 0.032 0.000 0.965 277 N CB 0.182 38.676 38.487 0.011 0.000 1.142 277 N HN 0.671 nan 8.380 nan 0.000 0.596 278 K N -0.818 119.586 120.400 0.006 0.000 2.442 278 K HA 0.010 4.329 4.320 -0.002 0.000 0.198 278 K C 0.960 177.575 176.600 0.025 0.000 1.044 278 K CA 0.897 57.184 56.287 -0.001 0.000 0.948 278 K CB -0.069 32.398 32.500 -0.056 0.000 0.762 278 K HN 0.389 nan 8.250 nan 0.000 0.472 279 R N 0.245 120.777 120.500 0.052 0.000 2.359 279 R HA 0.078 4.417 4.340 -0.002 0.000 0.231 279 R C -0.143 176.272 176.300 0.191 0.000 0.913 279 R CA 0.001 56.162 56.100 0.102 0.000 1.075 279 R CB 0.539 30.910 30.300 0.119 0.000 1.087 279 R HN 0.071 nan 8.270 nan 0.000 0.515 280 Q N 0.040 119.930 119.800 0.151 0.000 2.489 280 Q HA -0.210 4.129 4.340 -0.002 0.000 0.259 280 Q C -0.634 175.505 176.000 0.232 0.000 0.934 280 Q CA 1.081 57.000 55.803 0.194 0.000 1.131 280 Q CB -1.798 27.063 28.738 0.205 0.000 1.472 280 Q HN 0.540 nan 8.270 nan 0.000 0.560 281 E N 1.045 121.289 120.200 0.073 0.000 2.227 281 E HA 0.342 4.691 4.350 -0.002 0.000 0.282 281 E C 0.534 177.062 176.600 -0.119 0.000 1.015 281 E CA 0.324 56.592 56.400 -0.219 0.000 0.823 281 E CB 0.875 30.370 29.700 -0.342 0.000 1.081 281 E HN 0.270 nan 8.360 nan 0.000 0.396 282 T N 0.466 114.934 114.554 -0.143 0.000 2.729 282 T HA 0.029 4.378 4.350 -0.002 0.000 0.298 282 T C 1.382 176.045 174.700 -0.063 0.000 1.013 282 T CA 0.033 62.099 62.100 -0.057 0.000 0.957 282 T CB 1.003 69.831 68.868 -0.067 0.000 1.130 282 T HN 0.452 nan 8.240 nan 0.000 0.526 283 S N -0.633 115.053 115.700 -0.024 0.000 2.474 283 S HA 0.071 4.540 4.470 -0.002 0.000 0.235 283 S C 0.735 175.308 174.600 -0.045 0.000 0.997 283 S CA 0.111 58.297 58.200 -0.024 0.000 0.949 283 S CB -0.793 62.404 63.200 -0.005 0.000 0.766 283 S HN 0.632 nan 8.310 nan 0.000 0.517 284 I N 3.081 123.615 120.570 -0.060 0.000 2.306 284 I HA 0.345 4.514 4.170 -0.002 0.000 0.288 284 I C -2.631 173.452 176.117 -0.057 0.000 1.036 284 I CA -2.720 58.554 61.300 -0.044 0.000 1.221 284 I CB 1.302 39.284 38.000 -0.030 0.000 1.385 284 I HN -0.082 nan 8.210 nan 0.000 0.472 285 P HA -0.039 nan 4.420 nan 0.000 0.263 285 P C 0.911 178.178 177.300 -0.055 0.000 1.175 285 P CA 0.902 63.958 63.100 -0.074 0.000 0.761 285 P CB 0.536 32.221 31.700 -0.026 0.000 0.794 286 G N 0.887 109.609 108.800 -0.130 0.000 2.205 286 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.261 286 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.261 286 G C -0.048 174.825 174.900 -0.044 0.000 0.980 286 G CA -0.031 45.062 45.100 -0.011 0.000 0.632 286 G HN 0.545 nan 8.290 nan 0.000 0.533 287 V N 1.292 121.087 119.914 -0.199 0.000 2.357 287 V HA 0.701 4.820 4.120 -0.002 0.000 0.284 287 V C -0.284 175.649 176.094 -0.269 0.000 1.018 287 V CA -0.982 61.229 62.300 -0.149 0.000 0.841 287 V CB 0.965 32.779 31.823 -0.016 0.000 0.991 287 V HN 0.257 nan 8.190 nan 0.000 0.437 288 Y N 2.280 122.536 120.300 -0.073 0.000 2.567 288 Y HA 0.857 5.406 4.550 -0.002 0.000 0.333 288 Y C 0.345 176.260 175.900 0.025 0.000 1.106 288 Y CA -0.963 57.127 58.100 -0.018 0.000 1.157 288 Y CB 2.083 40.532 38.460 -0.018 0.000 1.277 288 Y HN 0.678 nan 8.280 nan 0.000 0.490 289 A N 2.438 125.405 122.820 0.246 0.000 2.427 289 A HA 0.842 5.161 4.320 -0.002 0.000 0.298 289 A C -1.148 176.587 177.584 0.251 0.000 1.036 289 A CA -0.600 51.597 52.037 0.265 0.000 0.701 289 A CB 0.832 19.982 19.000 0.250 0.000 1.250 289 A HN 0.751 nan 8.150 nan 0.000 0.412 290 I N -0.728 119.990 120.570 0.246 0.000 3.145 290 I HA 0.937 5.106 4.170 -0.002 0.000 0.313 290 I C 0.673 176.897 176.117 0.178 0.000 1.122 290 I CA -0.359 61.050 61.300 0.181 0.000 0.987 290 I CB 1.823 39.904 38.000 0.135 0.000 1.236 290 I HN 1.733 nan 8.210 nan 0.000 0.453 291 G N 2.559 111.429 108.800 0.117 0.000 2.566 291 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.280 291 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.280 291 G C 0.149 175.102 174.900 0.088 0.000 1.225 291 G CA 0.868 46.018 45.100 0.083 0.000 0.966 291 G HN 0.856 nan 8.290 nan 0.000 0.560 292 D N 0.110 120.563 120.400 0.088 0.000 2.378 292 D HA 0.001 4.640 4.640 -0.002 0.000 0.222 292 D C 2.311 178.799 176.300 0.314 0.000 0.980 292 D CA 1.687 55.768 54.000 0.135 0.000 0.907 292 D CB -0.434 40.410 40.800 0.073 0.000 0.899 292 D HN 0.867 nan 8.370 nan 0.000 0.527 293 C N -1.493 117.968 119.300 0.268 0.000 2.791 293 C HA 0.776 5.235 4.460 -0.002 0.000 0.270 293 C C 1.016 176.163 174.990 0.262 0.000 1.257 293 C CA -0.541 58.614 59.018 0.228 0.000 1.699 293 C CB -0.818 27.087 27.740 0.274 0.000 1.904 293 C HN 0.100 nan 8.230 nan 0.000 0.603 294 A N 1.210 124.219 122.820 0.315 0.000 2.435 294 A HA 0.779 5.098 4.320 -0.002 0.000 0.296 294 A C 0.282 178.005 177.584 0.232 0.000 1.147 294 A CA 0.401 52.610 52.037 0.286 0.000 0.775 294 A CB 0.544 19.713 19.000 0.281 0.000 1.340 294 A HN 0.628 nan 8.150 nan 0.000 0.427 295 T N -1.187 113.434 114.554 0.112 0.000 2.771 295 T HA 0.681 5.030 4.350 -0.002 0.000 0.290 295 T C 0.089 174.773 174.700 -0.025 0.000 1.005 295 T CA -0.202 61.871 62.100 -0.046 0.000 0.944 295 T CB 0.636 69.302 68.868 -0.336 0.000 1.147 295 T HN 1.065 nan 8.240 nan 0.000 0.534 296 I N -0.748 119.773 120.570 -0.081 0.000 2.908 296 I HA 0.405 4.574 4.170 -0.002 0.000 0.300 296 I C -1.880 174.241 176.117 0.006 0.000 1.385 296 I CA -1.371 59.921 61.300 -0.013 0.000 1.004 296 I CB 2.134 40.115 38.000 -0.032 0.000 1.309 296 I HN 0.831 nan 8.210 nan 0.000 0.449 297 Y N 5.313 125.588 120.300 -0.043 0.000 2.335 297 Y HA 0.295 4.844 4.550 -0.002 0.000 0.331 297 Y C -0.324 175.567 175.900 -0.014 0.000 1.094 297 Y CA 0.115 58.200 58.100 -0.023 0.000 1.253 297 Y CB 0.631 39.088 38.460 -0.005 0.000 1.203 297 Y HN 0.392 nan 8.280 nan 0.000 0.508 298 D N 5.101 125.164 120.400 -0.561 0.000 2.373 298 D HA 0.108 4.747 4.640 -0.002 0.000 0.227 298 D C 0.001 176.011 176.300 -0.483 0.000 1.091 298 D CA -0.150 53.629 54.000 -0.370 0.000 0.840 298 D CB 0.640 41.292 40.800 -0.246 0.000 1.060 298 D HN 0.681 nan 8.370 nan 0.000 0.502 299 N N 2.505 121.096 118.700 -0.181 0.000 2.512 299 N HA -0.060 4.679 4.740 -0.002 0.000 0.183 299 N C 1.256 176.734 175.510 -0.053 0.000 1.073 299 N CA 0.371 53.399 53.050 -0.037 0.000 0.911 299 N CB 0.353 38.893 38.487 0.087 0.000 0.964 299 N HN 0.511 nan 8.380 nan 0.000 0.447 300 A N 0.648 123.409 122.820 -0.099 0.000 1.874 300 A HA -0.074 4.245 4.320 -0.002 0.000 0.214 300 A C 2.307 179.792 177.584 -0.165 0.000 1.189 300 A CA 1.846 53.807 52.037 -0.125 0.000 0.615 300 A CB -0.793 18.129 19.000 -0.130 0.000 0.830 300 A HN 0.407 nan 8.150 nan 0.000 0.443 301 T N -4.303 110.187 114.554 -0.105 0.000 3.081 301 T HA 0.150 4.499 4.350 -0.002 0.000 0.255 301 T C 0.709 175.475 174.700 0.111 0.000 1.113 301 T CA 0.437 62.578 62.100 0.068 0.000 1.082 301 T CB -0.261 68.662 68.868 0.091 0.000 0.939 301 T HN 0.449 nan 8.240 nan 0.000 0.506 302 R N 1.303 121.754 120.500 -0.081 0.000 3.267 302 R HA -0.113 4.226 4.340 -0.002 0.000 0.254 302 R C -1.056 175.193 176.300 -0.085 0.000 0.993 302 R CA 0.804 56.870 56.100 -0.057 0.000 0.670 302 R CB -1.695 28.709 30.300 0.172 0.000 1.125 302 R HN 0.607 nan 8.270 nan 0.000 0.434 303 D N -1.821 118.305 120.400 -0.456 0.000 2.710 303 D HA 0.152 4.791 4.640 -0.002 0.000 0.276 303 D C -0.625 175.524 176.300 -0.252 0.000 1.267 303 D CA -0.416 53.499 54.000 -0.142 0.000 0.772 303 D CB 1.496 42.318 40.800 0.037 0.000 1.299 303 D HN -0.050 nan 8.370 nan 0.000 0.421 304 T N 1.538 116.118 114.554 0.043 0.000 2.930 304 T HA 0.368 4.717 4.350 -0.002 0.000 0.306 304 T C 0.226 174.862 174.700 -0.106 0.000 1.045 304 T CA 0.189 62.279 62.100 -0.016 0.000 1.134 304 T CB 0.316 69.198 68.868 0.023 0.000 0.961 304 T HN 0.312 nan 8.240 nan 0.000 0.545 305 N N 0.237 118.781 118.700 -0.261 0.000 3.039 305 N HA 0.337 5.075 4.740 -0.002 0.000 0.257 305 N C -2.215 173.174 175.510 -0.202 0.000 1.497 305 N CA -0.788 52.175 53.050 -0.146 0.000 0.861 305 N CB 1.201 39.667 38.487 -0.034 0.000 1.479 305 N HN 0.565 nan 8.380 nan 0.000 0.547 306 Y N 1.117 121.362 120.300 -0.091 0.000 2.326 306 Y HA 0.667 5.216 4.550 -0.002 0.000 0.331 306 Y C -1.107 174.799 175.900 0.010 0.000 0.962 306 Y CA -0.670 57.404 58.100 -0.043 0.000 1.167 306 Y CB 0.517 39.039 38.460 0.104 0.000 1.148 306 Y HN 0.425 nan 8.280 nan 0.000 0.463 307 I N 6.414 126.682 120.570 -0.504 0.000 2.521 307 I HA 0.397 4.566 4.170 -0.002 0.000 0.277 307 I C -0.299 175.505 176.117 -0.521 0.000 1.054 307 I CA -0.878 60.194 61.300 -0.380 0.000 1.117 307 I CB 1.553 39.446 38.000 -0.178 0.000 1.217 307 I HN 0.808 nan 8.210 nan 0.000 0.469 308 A N 8.343 130.778 122.820 -0.642 0.000 2.797 308 A HA 0.626 4.945 4.320 -0.002 0.000 0.296 308 A C -0.321 177.011 177.584 -0.421 0.000 1.580 308 A CA 0.287 51.960 52.037 -0.608 0.000 1.277 308 A CB -0.369 18.200 19.000 -0.719 0.000 1.101 308 A HN 0.680 nan 8.150 nan 0.000 0.562 309 L N 0.959 121.999 121.223 -0.305 0.000 2.388 309 L HA 0.501 4.840 4.340 -0.002 0.000 0.264 309 L C 1.364 178.077 176.870 -0.261 0.000 0.998 309 L CA -0.699 54.002 54.840 -0.231 0.000 0.817 309 L CB 2.050 44.012 42.059 -0.163 0.000 1.338 309 L HN 0.551 nan 8.230 nan 0.000 0.414 310 A N 0.994 123.612 122.820 -0.336 0.000 1.933 310 A HA -0.169 4.150 4.320 -0.002 0.000 0.218 310 A C 2.251 179.623 177.584 -0.354 0.000 1.175 310 A CA 2.115 53.819 52.037 -0.554 0.000 0.628 310 A CB -0.626 17.802 19.000 -0.952 0.000 0.814 310 A HN 0.900 nan 8.150 nan 0.000 0.444 311 S N 1.060 116.610 115.700 -0.249 0.000 2.365 311 S HA -0.259 4.210 4.470 -0.002 0.000 0.225 311 S C 1.697 176.227 174.600 -0.118 0.000 1.039 311 S CA 1.627 59.731 58.200 -0.160 0.000 1.033 311 S CB -0.770 62.358 63.200 -0.120 0.000 0.887 311 S HN 0.597 nan 8.310 nan 0.000 0.447 312 N N 2.635 121.262 118.700 -0.121 0.000 2.188 312 N HA 0.129 4.868 4.740 -0.002 0.000 0.184 312 N C 1.995 177.468 175.510 -0.061 0.000 1.018 312 N CA 1.342 54.341 53.050 -0.085 0.000 0.858 312 N CB -1.032 37.391 38.487 -0.107 0.000 0.989 312 N HN 0.608 nan 8.380 nan 0.000 0.426 313 A N 0.890 123.661 122.820 -0.083 0.000 1.865 313 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 313 A C 2.502 180.094 177.584 0.013 0.000 1.191 313 A CA 1.571 53.597 52.037 -0.017 0.000 0.623 313 A CB -0.925 18.074 19.000 -0.002 0.000 0.826 313 A HN 0.094 nan 8.150 nan 0.000 0.444 314 V N -0.062 119.840 119.914 -0.020 0.000 2.295 314 V HA -0.292 3.827 4.120 -0.002 0.000 0.246 314 V C 2.679 178.783 176.094 0.016 0.000 1.049 314 V CA 2.388 64.689 62.300 0.001 0.000 1.024 314 V CB -0.846 30.956 31.823 -0.036 0.000 0.648 314 V HN 0.534 nan 8.190 nan 0.000 0.447 315 R N 0.373 120.875 120.500 0.004 0.000 2.081 315 R HA -0.139 4.200 4.340 -0.002 0.000 0.235 315 R C 2.482 178.802 176.300 0.033 0.000 1.131 315 R CA 1.953 58.068 56.100 0.025 0.000 0.960 315 R CB -0.805 29.503 30.300 0.013 0.000 0.856 315 R HN 0.757 nan 8.270 nan 0.000 0.436 316 T N -2.199 112.372 114.554 0.028 0.000 2.867 316 T HA -0.047 4.302 4.350 -0.002 0.000 0.268 316 T C 2.099 176.827 174.700 0.045 0.000 1.057 316 T CA 1.126 63.251 62.100 0.042 0.000 1.136 316 T CB -0.472 68.426 68.868 0.050 0.000 0.874 316 T HN 0.333 nan 8.240 nan 0.000 0.466 317 G N 1.520 110.347 108.800 0.046 0.000 2.418 317 G HA2 -0.034 3.925 3.960 -0.002 0.000 0.217 317 G HA3 -0.034 3.925 3.960 -0.002 0.000 0.217 317 G C 1.531 176.441 174.900 0.017 0.000 1.158 317 G CA 0.687 45.810 45.100 0.039 0.000 0.771 317 G HN 0.561 nan 8.290 nan 0.000 0.545 318 I N 0.368 120.964 120.570 0.042 0.000 2.226 318 I HA -0.157 4.012 4.170 -0.002 0.000 0.245 318 I C 2.758 178.931 176.117 0.094 0.000 1.100 318 I CA 0.542 61.886 61.300 0.075 0.000 1.374 318 I CB -0.215 37.874 38.000 0.149 0.000 1.057 318 I HN 0.029 nan 8.210 nan 0.000 0.413 319 V N 0.984 120.932 119.914 0.058 0.000 2.358 319 V HA -0.268 3.851 4.120 -0.002 0.000 0.246 319 V C 2.712 178.802 176.094 -0.006 0.000 1.047 319 V CA 1.945 64.261 62.300 0.027 0.000 1.035 319 V CB -1.015 30.808 31.823 0.000 0.000 0.658 319 V HN 0.485 nan 8.190 nan 0.000 0.452 320 A N 0.064 122.860 122.820 -0.041 0.000 1.902 320 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 320 A C 2.450 179.840 177.584 -0.323 0.000 1.181 320 A CA 2.115 54.041 52.037 -0.184 0.000 0.623 320 A CB -0.835 18.094 19.000 -0.119 0.000 0.818 320 A HN 0.565 nan 8.150 nan 0.000 0.443 321 A N -0.652 122.047 122.820 -0.201 0.000 1.859 321 A HA -0.263 4.056 4.320 -0.002 0.000 0.217 321 A C 2.104 179.539 177.584 -0.248 0.000 1.198 321 A CA 1.825 53.725 52.037 -0.229 0.000 0.629 321 A CB -1.119 17.757 19.000 -0.207 0.000 0.830 321 A HN 0.667 nan 8.150 nan 0.000 0.446 322 H N 0.021 119.065 119.070 -0.044 0.000 2.319 322 H HA -0.097 4.458 4.556 -0.002 0.000 0.299 322 H C 2.063 177.293 175.328 -0.164 0.000 1.092 322 H CA 1.662 57.690 56.048 -0.033 0.000 1.302 322 H CB -0.361 29.428 29.762 0.045 0.000 1.373 322 H HN 0.507 nan 8.280 nan 0.000 0.497 323 N N 0.755 119.433 118.700 -0.036 0.000 2.166 323 N HA -0.097 4.642 4.740 -0.002 0.000 0.186 323 N C 2.040 177.483 175.510 -0.113 0.000 1.019 323 N CA 1.027 54.057 53.050 -0.033 0.000 0.856 323 N CB -0.179 38.354 38.487 0.077 0.000 0.993 323 N HN 0.288 nan 8.380 nan 0.000 0.426 324 A N 0.239 122.830 122.820 -0.382 0.000 2.015 324 A HA -0.084 4.235 4.320 -0.002 0.000 0.219 324 A C 2.108 179.567 177.584 -0.208 0.000 1.163 324 A CA 0.806 52.617 52.037 -0.377 0.000 0.646 324 A CB -0.378 18.278 19.000 -0.572 0.000 0.806 324 A HN 0.418 nan 8.150 nan 0.000 0.448 325 C N -1.166 117.947 119.300 -0.313 0.000 2.693 325 C HA 0.513 4.972 4.460 -0.002 0.000 0.286 325 C C 1.873 176.616 174.990 -0.412 0.000 1.277 325 C CA 0.118 58.862 59.018 -0.456 0.000 1.705 325 C CB -1.026 26.140 27.740 -0.956 0.000 1.879 325 C HN 1.002 nan 8.230 nan 0.000 0.607 326 G N 0.703 109.386 108.800 -0.194 0.000 2.176 326 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.232 326 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.232 326 G C 0.123 174.992 174.900 -0.051 0.000 0.986 326 G CA 0.329 45.376 45.100 -0.088 0.000 0.643 326 G HN 0.447 nan 8.290 nan 0.000 0.522 327 T N 1.310 115.828 114.554 -0.060 0.000 2.733 327 T HA 0.457 4.806 4.350 -0.002 0.000 0.294 327 T C -0.208 174.511 174.700 0.031 0.000 0.956 327 T CA 0.135 62.261 62.100 0.044 0.000 0.987 327 T CB 1.537 70.517 68.868 0.186 0.000 0.920 327 T HN 0.350 nan 8.240 nan 0.000 0.470 328 D N 3.351 123.763 120.400 0.019 0.000 2.363 328 D HA 0.235 4.874 4.640 -0.002 0.000 0.263 328 D C -0.718 175.564 176.300 -0.029 0.000 1.258 328 D CA -0.236 53.769 54.000 0.007 0.000 0.907 328 D CB 0.171 40.975 40.800 0.007 0.000 1.107 328 D HN 0.160 nan 8.370 nan 0.000 0.495 329 L N 3.807 125.002 121.223 -0.047 0.000 2.446 329 L HA 0.395 4.734 4.340 -0.002 0.000 0.268 329 L C -1.042 175.768 176.870 -0.101 0.000 0.975 329 L CA -0.664 54.094 54.840 -0.137 0.000 0.848 329 L CB 1.735 43.650 42.059 -0.240 0.000 1.225 329 L HN 0.422 nan 8.230 nan 0.000 0.410 330 E N 3.104 123.246 120.200 -0.097 0.000 2.167 330 E HA 0.578 4.927 4.350 -0.002 0.000 0.284 330 E C 0.224 176.777 176.600 -0.078 0.000 1.016 330 E CA -0.497 55.863 56.400 -0.066 0.000 0.817 330 E CB 1.029 30.697 29.700 -0.053 0.000 1.080 330 E HN 0.867 nan 8.360 nan 0.000 0.397 331 G N 3.362 112.131 108.800 -0.052 0.000 2.614 331 G HA2 0.164 4.123 3.960 -0.002 0.000 0.239 331 G HA3 0.164 4.123 3.960 -0.002 0.000 0.239 331 G C 0.742 175.628 174.900 -0.024 0.000 1.240 331 G CA -0.250 44.830 45.100 -0.034 0.000 0.842 331 G HN 0.757 nan 8.290 nan 0.000 0.584 332 I N -1.373 119.201 120.570 0.006 0.000 4.025 332 I HA 0.526 4.695 4.170 -0.002 0.000 0.336 332 I C 0.867 177.039 176.117 0.091 0.000 1.390 332 I CA 0.090 61.406 61.300 0.026 0.000 1.099 332 I CB -0.316 37.702 38.000 0.030 0.000 1.049 332 I HN 0.985 nan 8.210 nan 0.000 0.394 333 G N 1.900 110.773 108.800 0.121 0.000 2.795 333 G HA2 0.001 3.959 3.960 -0.002 0.000 0.664 333 G HA3 0.001 3.959 3.960 -0.002 0.000 0.664 333 G C -0.616 174.345 174.900 0.103 0.000 1.381 333 G CA -0.317 44.903 45.100 0.199 0.000 0.853 333 G HN 1.025 nan 8.290 nan 0.000 0.545 334 V N -3.731 116.221 119.914 0.063 0.000 3.167 334 V HA 0.913 5.032 4.120 -0.002 0.000 0.310 334 V C 0.462 176.554 176.094 -0.005 0.000 1.207 334 V CA -0.358 61.954 62.300 0.020 0.000 1.059 334 V CB 1.877 33.696 31.823 -0.007 0.000 1.079 334 V HN 0.867 nan 8.190 nan 0.000 0.446 335 Q N 0.833 120.630 119.800 -0.005 0.000 2.217 335 Q HA 0.457 4.796 4.340 -0.002 0.000 0.217 335 Q C 1.299 177.283 176.000 -0.027 0.000 0.844 335 Q CA 0.787 56.581 55.803 -0.015 0.000 0.957 335 Q CB 0.882 29.627 28.738 0.011 0.000 1.127 335 Q HN 1.835 nan 8.270 nan 0.000 0.503 336 G N 0.627 109.409 108.800 -0.029 0.000 2.221 336 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.265 336 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.265 336 G C -0.075 174.814 174.900 -0.020 0.000 1.041 336 G CA 0.355 45.440 45.100 -0.026 0.000 0.807 336 G HN 0.239 nan 8.290 nan 0.000 0.502 337 S N -0.022 115.667 115.700 -0.018 0.000 2.558 337 S HA 0.456 4.925 4.470 -0.002 0.000 0.288 337 S C 0.524 175.090 174.600 -0.055 0.000 1.318 337 S CA 0.669 58.860 58.200 -0.015 0.000 1.056 337 S CB 0.869 64.088 63.200 0.033 0.000 0.853 337 S HN 1.305 nan 8.310 nan 0.000 0.505 338 N N -0.378 118.273 118.700 -0.081 0.000 2.927 338 N HA 0.729 5.468 4.740 -0.002 0.000 0.248 338 N C -0.821 174.616 175.510 -0.122 0.000 1.443 338 N CA -1.048 51.907 53.050 -0.159 0.000 0.870 338 N CB 1.005 39.339 38.487 -0.256 0.000 1.444 338 N HN 0.672 nan 8.380 nan 0.000 0.519 339 G N -0.696 108.004 108.800 -0.166 0.000 2.672 339 G HA2 0.762 4.721 3.960 -0.002 0.000 0.292 339 G HA3 0.762 4.721 3.960 -0.002 0.000 0.292 339 G C -1.745 173.084 174.900 -0.119 0.000 1.375 339 G CA -0.816 44.235 45.100 -0.081 0.000 0.890 339 G HN 0.762 nan 8.290 nan 0.000 0.476 340 I N -0.166 120.376 120.570 -0.047 0.000 2.743 340 I HA 0.623 4.792 4.170 -0.002 0.000 0.292 340 I C -1.272 174.829 176.117 -0.026 0.000 1.343 340 I CA -0.659 60.605 61.300 -0.059 0.000 1.038 340 I CB 2.314 40.283 38.000 -0.051 0.000 1.311 340 I HN 0.556 nan 8.210 nan 0.000 0.426 341 S N 8.117 123.805 115.700 -0.020 0.000 2.789 341 S HA 0.665 5.134 4.470 -0.002 0.000 0.286 341 S C -1.279 173.281 174.600 -0.068 0.000 1.153 341 S CA -0.585 57.635 58.200 0.034 0.000 1.084 341 S CB 0.519 63.797 63.200 0.130 0.000 1.036 341 S HN 0.383 nan 8.310 nan 0.000 0.484 342 I N 4.755 125.251 120.570 -0.124 0.000 2.498 342 I HA 0.347 4.516 4.170 -0.002 0.000 0.290 342 I C -0.285 175.719 176.117 -0.188 0.000 1.032 342 I CA -0.656 60.509 61.300 -0.225 0.000 1.073 342 I CB 0.795 38.692 38.000 -0.173 0.000 1.251 342 I HN 0.863 nan 8.210 nan 0.000 0.426 343 Y N 4.883 125.060 120.300 -0.204 0.000 3.152 343 Y HA -0.249 4.299 4.550 -0.002 0.000 0.212 343 Y C 1.613 177.395 175.900 -0.196 0.000 1.198 343 Y CA 0.880 58.817 58.100 -0.273 0.000 1.220 343 Y CB -1.476 36.658 38.460 -0.544 0.000 1.326 343 Y HN 1.005 nan 8.280 nan 0.000 0.562 344 G N -0.784 107.954 108.800 -0.103 0.000 2.184 344 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.264 344 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.264 344 G C -0.235 174.320 174.900 -0.575 0.000 0.975 344 G CA 0.027 44.975 45.100 -0.253 0.000 0.642 344 G HN 0.524 nan 8.290 nan 0.000 0.536 345 L N 2.740 123.721 121.223 -0.404 0.000 2.255 345 L HA 0.628 4.967 4.340 -0.002 0.000 0.289 345 L C -0.184 176.462 176.870 -0.372 0.000 1.046 345 L CA -1.407 53.212 54.840 -0.369 0.000 0.816 345 L CB 0.382 42.342 42.059 -0.164 0.000 1.197 345 L HN 0.231 nan 8.230 nan 0.000 0.427 346 H N 6.866 125.881 119.070 -0.092 0.000 2.488 346 H HA 0.570 5.124 4.556 -0.002 0.000 0.322 346 H C -0.586 174.681 175.328 -0.103 0.000 1.078 346 H CA -0.425 55.565 56.048 -0.097 0.000 1.260 346 H CB 1.226 30.932 29.762 -0.092 0.000 1.425 346 H HN 0.601 nan 8.280 nan 0.000 0.471 347 M N 2.649 122.247 119.600 -0.004 0.000 2.501 347 M HA 0.498 4.977 4.480 -0.002 0.000 0.293 347 M C -0.612 175.748 176.300 0.099 0.000 1.192 347 M CA -1.244 54.025 55.300 -0.051 0.000 0.886 347 M CB 3.203 35.562 32.600 -0.401 0.000 1.710 347 M HN 0.345 nan 8.290 nan 0.000 0.457 348 V N -0.689 119.351 119.914 0.209 0.000 2.971 348 V HA 1.004 5.122 4.120 -0.002 0.000 0.309 348 V C -0.709 175.504 176.094 0.197 0.000 1.130 348 V CA -0.636 61.772 62.300 0.179 0.000 0.964 348 V CB 1.667 33.514 31.823 0.040 0.000 1.029 348 V HN 1.044 nan 8.190 nan 0.000 0.427 349 S N 0.844 116.545 115.700 0.002 0.000 2.596 349 S HA 0.895 5.364 4.470 -0.002 0.000 0.270 349 S C -0.762 173.771 174.600 -0.111 0.000 1.155 349 S CA -0.146 57.969 58.200 -0.142 0.000 0.827 349 S CB 2.086 64.982 63.200 -0.507 0.000 1.130 349 S HN 1.870 nan 8.310 nan 0.000 0.467 350 T N -0.056 114.440 114.554 -0.096 0.000 2.932 350 T HA 0.684 5.033 4.350 -0.002 0.000 0.318 350 T C 0.504 175.167 174.700 -0.061 0.000 1.265 350 T CA 1.093 63.166 62.100 -0.045 0.000 1.036 350 T CB 0.602 69.486 68.868 0.027 0.000 1.209 350 T HN 2.571 nan 8.240 nan 0.000 0.484 351 G N 2.430 111.197 108.800 -0.054 0.000 2.539 351 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.256 351 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.256 351 G C -0.848 173.988 174.900 -0.108 0.000 1.233 351 G CA 0.018 45.071 45.100 -0.078 0.000 0.936 351 G HN 0.952 nan 8.290 nan 0.000 0.571 352 L N 1.486 122.628 121.223 -0.135 0.000 2.343 352 L HA 0.598 4.937 4.340 -0.002 0.000 0.275 352 L C 1.425 178.216 176.870 -0.131 0.000 1.056 352 L CA -0.261 54.493 54.840 -0.144 0.000 0.804 352 L CB 1.755 43.698 42.059 -0.193 0.000 1.203 352 L HN 1.000 nan 8.230 nan 0.000 0.440 353 T N -1.234 113.250 114.554 -0.116 0.000 2.847 353 T HA 0.200 4.549 4.350 -0.002 0.000 0.279 353 T C 0.870 175.523 174.700 -0.079 0.000 0.984 353 T CA -0.744 61.301 62.100 -0.092 0.000 0.988 353 T CB 1.242 70.065 68.868 -0.075 0.000 1.040 353 T HN 0.431 nan 8.240 nan 0.000 0.528 354 L N 0.947 122.133 121.223 -0.062 0.000 2.046 354 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 354 L C 2.595 179.441 176.870 -0.039 0.000 1.077 354 L CA 1.777 56.581 54.840 -0.060 0.000 0.747 354 L CB -1.088 40.939 42.059 -0.052 0.000 0.896 354 L HN 0.761 nan 8.230 nan 0.000 0.432 355 E N -0.060 120.122 120.200 -0.030 0.000 2.038 355 E HA -0.308 4.041 4.350 -0.002 0.000 0.195 355 E C 2.169 178.759 176.600 -0.017 0.000 1.000 355 E CA 1.591 57.979 56.400 -0.021 0.000 0.803 355 E CB -0.522 29.166 29.700 -0.021 0.000 0.750 355 E HN 0.408 nan 8.360 nan 0.000 0.448 356 K N 1.414 121.795 120.400 -0.032 0.000 2.026 356 K HA -0.072 4.247 4.320 -0.002 0.000 0.208 356 K C 2.120 178.730 176.600 0.016 0.000 1.048 356 K CA 1.572 57.844 56.287 -0.025 0.000 0.929 356 K CB -0.513 31.951 32.500 -0.061 0.000 0.713 356 K HN 0.118 nan 8.250 nan 0.000 0.439 357 A N 1.037 123.854 122.820 -0.005 0.000 1.883 357 A HA -0.229 4.089 4.320 -0.002 0.000 0.217 357 A C 2.004 179.691 177.584 0.171 0.000 1.186 357 A CA 2.082 54.149 52.037 0.049 0.000 0.624 357 A CB -0.542 18.413 19.000 -0.076 0.000 0.822 357 A HN 0.380 nan 8.150 nan 0.000 0.444 358 K N -0.962 119.484 120.400 0.076 0.000 2.097 358 K HA -0.084 4.235 4.320 -0.002 0.000 0.206 358 K C 2.138 178.769 176.600 0.053 0.000 1.049 358 K CA 1.031 57.356 56.287 0.063 0.000 0.933 358 K CB -0.165 32.347 32.500 0.021 0.000 0.717 358 K HN 0.263 nan 8.250 nan 0.000 0.442 359 R N 0.709 121.234 120.500 0.042 0.000 2.241 359 R HA -0.037 4.302 4.340 -0.002 0.000 0.224 359 R C 1.761 178.084 176.300 0.038 0.000 1.101 359 R CA 0.814 56.930 56.100 0.025 0.000 0.995 359 R CB -0.143 30.163 30.300 0.010 0.000 0.870 359 R HN 0.274 nan 8.270 nan 0.000 0.463 360 L N -0.606 120.672 121.223 0.091 0.000 2.607 360 L HA 0.188 4.527 4.340 -0.002 0.000 0.228 360 L C 1.017 177.872 176.870 -0.025 0.000 1.123 360 L CA 0.376 55.271 54.840 0.092 0.000 0.890 360 L CB 0.261 42.474 42.059 0.257 0.000 1.103 360 L HN 0.334 nan 8.230 nan 0.000 0.468 361 G N -0.100 108.692 108.800 -0.012 0.000 2.176 361 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.253 361 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.253 361 G C 0.129 174.948 174.900 -0.136 0.000 0.979 361 G CA -0.428 44.614 45.100 -0.097 0.000 0.641 361 G HN 0.182 nan 8.290 nan 0.000 0.530 362 F N 1.236 121.174 119.950 -0.021 0.000 2.484 362 F HA 0.410 4.936 4.527 -0.002 0.000 0.360 362 F C 0.983 176.763 175.800 -0.033 0.000 1.101 362 F CA -0.055 57.932 58.000 -0.022 0.000 1.251 362 F CB 0.892 39.876 39.000 -0.027 0.000 1.132 362 F HN 0.000 nan 8.300 nan 0.000 0.570 363 D N 3.337 123.822 120.400 0.142 0.000 2.713 363 D HA 0.291 4.930 4.640 -0.002 0.000 0.229 363 D C -0.235 176.090 176.300 0.042 0.000 1.136 363 D CA -0.031 54.007 54.000 0.063 0.000 1.010 363 D CB -0.265 40.560 40.800 0.042 0.000 1.084 363 D HN 0.507 nan 8.370 nan 0.000 0.495 364 A N 1.247 124.079 122.820 0.020 0.000 2.286 364 A HA 0.815 5.134 4.320 -0.002 0.000 0.286 364 A C -0.137 177.315 177.584 -0.220 0.000 1.097 364 A CA -0.269 51.704 52.037 -0.106 0.000 0.821 364 A CB 1.118 20.067 19.000 -0.085 0.000 1.076 364 A HN 0.510 nan 8.150 nan 0.000 0.490 365 A N -0.196 122.341 122.820 -0.472 0.000 2.527 365 A HA 0.750 5.069 4.320 -0.002 0.000 0.293 365 A C -1.049 176.214 177.584 -0.535 0.000 1.117 365 A CA -0.409 51.321 52.037 -0.512 0.000 0.723 365 A CB 1.356 19.969 19.000 -0.644 0.000 1.313 365 A HN 1.995 nan 8.150 nan 0.000 0.411 366 V N -0.124 119.658 119.914 -0.221 0.000 2.823 366 V HA 0.859 4.978 4.120 -0.002 0.000 0.312 366 V C -0.605 175.562 176.094 0.122 0.000 1.072 366 V CA 0.164 62.441 62.300 -0.038 0.000 0.937 366 V CB 2.256 34.065 31.823 -0.024 0.000 1.013 366 V HN 1.287 nan 8.190 nan 0.000 0.430 367 T N 5.243 119.919 114.554 0.204 0.000 2.881 367 T HA 0.578 4.927 4.350 -0.002 0.000 0.291 367 T C -0.866 173.921 174.700 0.145 0.000 0.990 367 T CA -0.441 61.779 62.100 0.199 0.000 0.976 367 T CB 0.837 69.845 68.868 0.234 0.000 0.970 367 T HN 0.970 nan 8.240 nan 0.000 0.438 368 E N 3.890 124.173 120.200 0.138 0.000 2.320 368 E HA 0.654 5.003 4.350 -0.002 0.000 0.264 368 E C -1.738 175.001 176.600 0.231 0.000 0.923 368 E CA -1.048 55.434 56.400 0.136 0.000 0.796 368 E CB 2.235 31.978 29.700 0.072 0.000 1.262 368 E HN 0.518 nan 8.360 nan 0.000 0.428 369 Y N -0.217 120.101 120.300 0.030 0.000 2.552 369 Y HA 0.364 4.913 4.550 -0.002 0.000 0.337 369 Y C -1.466 174.436 175.900 0.003 0.000 1.094 369 Y CA -0.331 57.792 58.100 0.039 0.000 1.028 369 Y CB 2.845 41.359 38.460 0.091 0.000 1.321 369 Y HN 0.646 nan 8.280 nan 0.000 0.456 370 T N 4.578 118.914 114.554 -0.364 0.000 2.881 370 T HA 0.521 4.869 4.350 -0.002 0.000 0.290 370 T C -1.928 172.604 174.700 -0.279 0.000 1.000 370 T CA -0.543 61.421 62.100 -0.226 0.000 0.978 370 T CB 1.427 70.187 68.868 -0.180 0.000 0.997 370 T HN 0.590 nan 8.240 nan 0.000 0.443 371 D N 1.250 121.606 120.400 -0.073 0.000 2.710 371 D HA 0.218 4.857 4.640 -0.002 0.000 0.276 371 D C -1.119 175.201 176.300 0.032 0.000 1.267 371 D CA -0.561 53.444 54.000 0.008 0.000 0.772 371 D CB 1.280 42.207 40.800 0.211 0.000 1.299 371 D HN 0.253 nan 8.370 nan 0.000 0.421 372 N N 1.047 119.746 118.700 -0.002 0.000 2.482 372 N HA 0.046 4.785 4.740 -0.002 0.000 0.260 372 N C 0.745 176.211 175.510 -0.072 0.000 1.236 372 N CA -0.016 52.982 53.050 -0.087 0.000 0.938 372 N CB 1.158 39.576 38.487 -0.115 0.000 1.128 372 N HN 0.441 nan 8.380 nan 0.000 0.448 373 Q N 1.556 121.175 119.800 -0.302 0.000 2.124 373 Q HA -0.077 4.262 4.340 -0.002 0.000 0.202 373 Q C -0.443 175.460 176.000 -0.161 0.000 0.977 373 Q CA 1.802 57.456 55.803 -0.249 0.000 0.850 373 Q CB 0.290 28.514 28.738 -0.858 0.000 0.901 373 Q HN 0.510 nan 8.270 nan 0.000 0.429 374 K N -0.451 119.822 120.400 -0.211 0.000 2.395 374 K HA 0.515 4.834 4.320 -0.002 0.000 0.245 374 K C -2.672 173.799 176.600 -0.215 0.000 1.017 374 K CA -2.505 53.686 56.287 -0.161 0.000 0.852 374 K CB 1.412 33.813 32.500 -0.164 0.000 1.311 374 K HN -0.205 nan 8.250 nan 0.000 0.452 375 P HA -0.050 nan 4.420 nan 0.000 0.267 375 P C 0.129 177.104 177.300 -0.541 0.000 1.200 375 P CA 0.158 62.931 63.100 -0.545 0.000 0.772 375 P CB 0.465 31.497 31.700 -1.113 0.000 0.855 376 E N 1.888 121.876 120.200 -0.354 0.000 2.219 376 E HA -0.184 4.165 4.350 -0.002 0.000 0.198 376 E C 1.435 177.969 176.600 -0.110 0.000 0.998 376 E CA 1.460 57.755 56.400 -0.175 0.000 0.818 376 E CB -0.785 28.875 29.700 -0.067 0.000 0.741 376 E HN 0.625 nan 8.360 nan 0.000 0.477 377 F N 0.083 120.037 119.950 0.008 0.000 2.802 377 F HA 0.137 4.663 4.527 -0.002 0.000 0.300 377 F C 0.724 176.523 175.800 -0.002 0.000 1.168 377 F CA -0.604 57.398 58.000 0.004 0.000 1.433 377 F CB -0.323 38.688 39.000 0.018 0.000 1.115 377 F HN -0.240 nan 8.300 nan 0.000 0.582 378 I N 2.819 123.400 120.570 0.018 0.000 2.436 378 I HA 0.016 4.185 4.170 -0.002 0.000 0.289 378 I C 1.362 177.488 176.117 0.014 0.000 1.083 378 I CA -0.228 61.110 61.300 0.063 0.000 1.372 378 I CB 0.387 38.347 38.000 -0.066 0.000 1.408 378 I HN 0.242 nan 8.210 nan 0.000 0.516 379 E N 5.760 125.976 120.200 0.028 0.000 2.021 379 E HA -0.180 4.169 4.350 -0.002 0.000 0.200 379 E C 0.089 176.419 176.600 -0.449 0.000 1.015 379 E CA 1.853 58.144 56.400 -0.181 0.000 0.824 379 E CB -0.062 29.612 29.700 -0.043 0.000 0.762 379 E HN 0.665 nan 8.360 nan 0.000 0.454 380 H N -3.230 115.884 119.070 0.073 0.000 2.907 380 H HA 0.508 5.063 4.556 -0.002 0.000 0.361 380 H C 0.739 176.115 175.328 0.079 0.000 1.194 380 H CA -0.143 55.950 56.048 0.075 0.000 1.152 380 H CB 1.885 31.695 29.762 0.079 0.000 1.867 380 H HN 0.222 nan 8.280 nan 0.000 0.561 381 G N 0.397 109.343 108.800 0.244 0.000 2.162 381 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.260 381 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.260 381 G C 0.119 175.185 174.900 0.276 0.000 0.976 381 G CA 0.217 45.456 45.100 0.232 0.000 0.655 381 G HN 0.614 nan 8.290 nan 0.000 0.533 382 N N 0.338 119.143 118.700 0.175 0.000 2.495 382 N HA 0.797 5.536 4.740 -0.002 0.000 0.280 382 N C -0.206 175.422 175.510 0.197 0.000 1.168 382 N CA 0.001 53.078 53.050 0.046 0.000 0.978 382 N CB 0.705 39.157 38.487 -0.058 0.000 1.191 382 N HN 0.728 nan 8.380 nan 0.000 0.497 383 F N -1.474 118.497 119.950 0.034 0.000 2.746 383 F HA 0.538 5.063 4.527 -0.002 0.000 0.311 383 F C -3.062 172.754 175.800 0.026 0.000 1.135 383 F CA -1.694 56.324 58.000 0.030 0.000 0.954 383 F CB 0.842 39.867 39.000 0.042 0.000 1.276 383 F HN 0.227 nan 8.300 nan 0.000 0.440 384 P HA 0.489 nan 4.420 nan 0.000 0.277 384 P C -1.236 176.132 177.300 0.113 0.000 1.240 384 P CA -0.379 62.747 63.100 0.043 0.000 0.798 384 P CB 2.440 34.154 31.700 0.024 0.000 0.979 385 V N 1.497 121.385 119.914 -0.044 0.000 2.841 385 V HA 0.412 4.530 4.120 -0.002 0.000 0.310 385 V C -0.017 175.932 176.094 -0.243 0.000 1.090 385 V CA -0.383 61.828 62.300 -0.148 0.000 0.930 385 V CB 2.335 33.896 31.823 -0.437 0.000 1.014 385 V HN 0.522 nan 8.190 nan 0.000 0.425 386 T N 5.273 119.716 114.554 -0.185 0.000 2.792 386 T HA 0.690 5.039 4.350 -0.002 0.000 0.280 386 T C -0.662 173.955 174.700 -0.138 0.000 0.990 386 T CA -0.146 61.872 62.100 -0.137 0.000 0.960 386 T CB 1.295 70.118 68.868 -0.075 0.000 0.939 386 T HN 0.585 nan 8.240 nan 0.000 0.439 387 I N 2.625 123.142 120.570 -0.089 0.000 2.608 387 I HA 0.613 4.782 4.170 -0.002 0.000 0.295 387 I C -1.289 174.828 176.117 0.000 0.000 1.049 387 I CA -0.897 60.374 61.300 -0.049 0.000 1.063 387 I CB 1.626 39.640 38.000 0.022 0.000 1.248 387 I HN 0.444 nan 8.210 nan 0.000 0.424 388 K N 7.725 128.097 120.400 -0.048 0.000 2.443 388 K HA 0.608 4.926 4.320 -0.002 0.000 0.252 388 K C -1.473 175.067 176.600 -0.099 0.000 0.933 388 K CA -0.501 55.769 56.287 -0.028 0.000 0.792 388 K CB 2.516 35.008 32.500 -0.013 0.000 1.185 388 K HN 0.470 nan 8.250 nan 0.000 0.425 389 I N 3.029 123.584 120.570 -0.025 0.000 2.410 389 I HA 0.267 4.436 4.170 -0.002 0.000 0.286 389 I C -0.608 175.571 176.117 0.103 0.000 1.009 389 I CA -1.191 60.096 61.300 -0.020 0.000 1.111 389 I CB 1.845 39.878 38.000 0.056 0.000 1.262 389 I HN 0.184 nan 8.210 nan 0.000 0.443 390 V N 7.334 127.270 119.914 0.037 0.000 2.439 390 V HA 0.420 4.539 4.120 -0.002 0.000 0.282 390 V C -0.678 175.464 176.094 0.080 0.000 1.039 390 V CA -0.409 61.891 62.300 -0.001 0.000 0.913 390 V CB 1.068 32.841 31.823 -0.084 0.000 0.983 390 V HN 0.632 nan 8.190 nan 0.000 0.460 391 Y N 1.119 121.402 120.300 -0.029 0.000 2.588 391 Y HA 0.671 5.220 4.550 -0.001 0.000 0.343 391 Y C -0.684 175.212 175.900 -0.005 0.000 1.065 391 Y CA -1.862 56.227 58.100 -0.019 0.000 1.038 391 Y CB 1.207 39.674 38.460 0.011 0.000 1.297 391 Y HN 0.502 nan 8.280 nan 0.000 0.467 392 D N 1.820 122.299 120.400 0.131 0.000 2.325 392 D HA 0.156 4.795 4.640 -0.002 0.000 0.251 392 D C 0.290 176.704 176.300 0.190 0.000 1.196 392 D CA 0.009 54.075 54.000 0.110 0.000 0.866 392 D CB 1.421 42.318 40.800 0.161 0.000 1.101 392 D HN 0.763 nan 8.370 nan 0.000 0.476 393 K N 2.532 122.985 120.400 0.088 0.000 2.209 393 K HA -0.169 4.150 4.320 -0.002 0.000 0.204 393 K C 1.107 177.795 176.600 0.146 0.000 1.048 393 K CA 1.242 57.617 56.287 0.146 0.000 0.940 393 K CB 0.209 32.743 32.500 0.056 0.000 0.729 393 K HN 0.417 nan 8.250 nan 0.000 0.451 394 D N -0.054 120.418 120.400 0.121 0.000 2.154 394 D HA -0.093 4.546 4.640 -0.002 0.000 0.211 394 D C 1.865 178.228 176.300 0.104 0.000 0.977 394 D CA 1.575 55.635 54.000 0.100 0.000 0.869 394 D CB 0.013 40.864 40.800 0.084 0.000 1.022 394 D HN 0.076 nan 8.370 nan 0.000 0.461 395 S N -1.099 114.673 115.700 0.120 0.000 2.489 395 S HA 0.020 4.489 4.470 -0.002 0.000 0.228 395 S C 0.943 175.608 174.600 0.108 0.000 0.995 395 S CA 0.304 58.569 58.200 0.107 0.000 0.934 395 S CB -0.006 63.264 63.200 0.118 0.000 0.771 395 S HN 0.270 nan 8.310 nan 0.000 0.522 396 R N 0.228 120.815 120.500 0.146 0.000 3.840 396 R HA -0.150 4.189 4.340 -0.002 0.000 0.464 396 R C -0.008 176.369 176.300 0.128 0.000 0.986 396 R CA 1.517 57.706 56.100 0.148 0.000 1.305 396 R CB -2.557 27.786 30.300 0.071 0.000 1.950 396 R HN 0.882 nan 8.270 nan 0.000 0.526 397 R N 1.298 121.871 120.500 0.121 0.000 2.594 397 R HA 0.454 4.792 4.340 -0.002 0.000 0.272 397 R C 0.427 176.795 176.300 0.113 0.000 1.074 397 R CA -0.421 55.736 56.100 0.095 0.000 1.105 397 R CB 0.502 30.850 30.300 0.080 0.000 1.008 397 R HN 0.058 nan 8.270 nan 0.000 0.472 398 I N 3.324 123.953 120.570 0.098 0.000 2.496 398 I HA -0.055 4.114 4.170 -0.002 0.000 0.285 398 I C 1.119 177.258 176.117 0.036 0.000 1.080 398 I CA -0.040 61.328 61.300 0.114 0.000 1.404 398 I CB 0.863 38.948 38.000 0.141 0.000 1.403 398 I HN 0.625 nan 8.210 nan 0.000 0.539 399 L N 5.647 126.860 121.223 -0.016 0.000 2.515 399 L HA 0.437 4.776 4.340 -0.002 0.000 0.223 399 L C 0.951 177.753 176.870 -0.113 0.000 1.079 399 L CA -0.006 54.750 54.840 -0.141 0.000 0.857 399 L CB -0.034 41.853 42.059 -0.287 0.000 1.050 399 L HN 0.794 nan 8.230 nan 0.000 0.476 400 G N -0.536 108.226 108.800 -0.063 0.000 2.451 400 G HA2 0.676 4.635 3.960 -0.002 0.000 0.292 400 G HA3 0.676 4.635 3.960 -0.002 0.000 0.292 400 G C -2.198 172.637 174.900 -0.107 0.000 1.427 400 G CA 0.126 45.179 45.100 -0.077 0.000 0.792 400 G HN 0.056 nan 8.290 nan 0.000 0.498 401 A N -0.529 122.187 122.820 -0.173 0.000 2.604 401 A HA 0.870 5.189 4.320 -0.002 0.000 0.295 401 A C -1.088 176.351 177.584 -0.242 0.000 1.067 401 A CA -0.519 51.317 52.037 -0.335 0.000 0.683 401 A CB 1.788 20.284 19.000 -0.841 0.000 1.281 401 A HN 0.806 nan 8.150 nan 0.000 0.407 402 Q N 0.387 120.068 119.800 -0.197 0.000 2.389 402 Q HA 0.813 5.152 4.340 -0.002 0.000 0.277 402 Q C -1.242 174.744 176.000 -0.023 0.000 1.082 402 Q CA -0.422 55.362 55.803 -0.031 0.000 0.810 402 Q CB 2.839 31.637 28.738 0.099 0.000 1.374 402 Q HN 0.751 nan 8.270 nan 0.000 0.422 403 M N 1.008 120.643 119.600 0.059 0.000 2.433 403 M HA 0.836 5.315 4.480 -0.002 0.000 0.290 403 M C -1.645 174.670 176.300 0.025 0.000 1.173 403 M CA -0.753 54.555 55.300 0.013 0.000 0.905 403 M CB 2.587 35.202 32.600 0.026 0.000 1.692 403 M HN 0.749 nan 8.290 nan 0.000 0.462 404 A N 1.944 124.749 122.820 -0.024 0.000 2.455 404 A HA 1.038 5.357 4.320 -0.002 0.000 0.300 404 A C -1.476 176.097 177.584 -0.018 0.000 1.040 404 A CA -0.350 51.662 52.037 -0.041 0.000 0.697 404 A CB 1.772 20.720 19.000 -0.086 0.000 1.265 404 A HN 1.133 nan 8.150 nan 0.000 0.407 405 A N 1.112 123.933 122.820 0.002 0.000 2.566 405 A HA 0.720 5.039 4.320 -0.002 0.000 0.290 405 A C -0.307 177.253 177.584 -0.040 0.000 1.071 405 A CA -0.605 51.455 52.037 0.039 0.000 0.658 405 A CB 0.672 19.765 19.000 0.155 0.000 1.285 405 A HN 0.736 nan 8.150 nan 0.000 0.427 406 R N -0.050 120.403 120.500 -0.078 0.000 2.466 406 R HA 0.249 4.587 4.340 -0.002 0.000 0.279 406 R C -0.669 175.551 176.300 -0.134 0.000 0.976 406 R CA 0.177 56.166 56.100 -0.185 0.000 1.081 406 R CB 0.404 30.628 30.300 -0.126 0.000 1.215 406 R HN 0.594 nan 8.270 nan 0.000 0.546 407 E N 0.261 120.325 120.200 -0.227 0.000 2.343 407 E HA 0.092 4.441 4.350 -0.002 0.000 0.270 407 E C -1.311 175.138 176.600 -0.251 0.000 0.895 407 E CA -0.767 55.363 56.400 -0.450 0.000 0.767 407 E CB 1.545 30.343 29.700 -1.503 0.000 1.248 407 E HN -0.102 nan 8.360 nan 0.000 0.440 408 D N 1.806 122.027 120.400 -0.299 0.000 2.348 408 D HA 0.062 4.700 4.640 -0.002 0.000 0.259 408 D C 0.598 176.852 176.300 -0.076 0.000 1.296 408 D CA 0.113 53.954 54.000 -0.265 0.000 0.931 408 D CB 0.265 40.888 40.800 -0.295 0.000 1.067 408 D HN 0.226 nan 8.370 nan 0.000 0.503 409 V N 1.362 121.281 119.914 0.009 0.000 3.276 409 V HA 0.068 4.187 4.120 -0.002 0.000 0.319 409 V C 1.861 177.989 176.094 0.058 0.000 1.427 409 V CA 0.377 62.747 62.300 0.117 0.000 1.102 409 V CB -0.239 31.733 31.823 0.248 0.000 1.020 409 V HN 0.421 nan 8.190 nan 0.000 0.456 410 S N 0.944 116.632 115.700 -0.020 0.000 2.402 410 S HA -0.243 4.225 4.470 -0.002 0.000 0.233 410 S C 1.868 176.362 174.600 -0.176 0.000 1.030 410 S CA 1.907 60.061 58.200 -0.076 0.000 1.003 410 S CB -0.629 62.514 63.200 -0.095 0.000 0.813 410 S HN 0.491 nan 8.310 nan 0.000 0.477 411 M N 1.446 120.984 119.600 -0.103 0.000 2.358 411 M HA 0.002 4.481 4.480 -0.002 0.000 0.264 411 M C 2.391 178.628 176.300 -0.104 0.000 1.064 411 M CA 1.315 56.555 55.300 -0.099 0.000 1.093 411 M CB -1.931 30.704 32.600 0.059 0.000 1.401 411 M HN 0.612 nan 8.290 nan 0.000 0.440 412 G N 0.056 108.855 108.800 -0.002 0.000 2.443 412 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.219 412 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.219 412 G C 1.466 176.463 174.900 0.161 0.000 1.131 412 G CA 0.260 45.425 45.100 0.108 0.000 0.775 412 G HN 0.387 nan 8.290 nan 0.000 0.547 413 I N 0.441 121.035 120.570 0.040 0.000 2.614 413 I HA -0.038 4.131 4.170 -0.002 0.000 0.258 413 I C 2.274 178.465 176.117 0.123 0.000 1.189 413 I CA 0.543 61.927 61.300 0.139 0.000 1.462 413 I CB -0.157 37.836 38.000 -0.011 0.000 1.092 413 I HN 0.166 nan 8.210 nan 0.000 0.442 414 H N -0.574 118.563 119.070 0.111 0.000 2.387 414 H HA -0.156 4.398 4.556 -0.002 0.000 0.299 414 H C 2.136 177.473 175.328 0.016 0.000 1.090 414 H CA 1.778 57.858 56.048 0.052 0.000 1.332 414 H CB -0.608 29.167 29.762 0.021 0.000 1.386 414 H HN 0.376 nan 8.280 nan 0.000 0.516 415 M N 0.025 119.662 119.600 0.063 0.000 2.117 415 M HA -0.169 4.310 4.480 -0.002 0.000 0.262 415 M C 1.601 177.797 176.300 -0.174 0.000 1.065 415 M CA 1.632 56.857 55.300 -0.124 0.000 1.114 415 M CB -0.209 32.202 32.600 -0.314 0.000 1.361 415 M HN 0.058 nan 8.290 nan 0.000 0.408 416 F N -0.435 119.546 119.950 0.052 0.000 2.186 416 F HA -0.160 4.366 4.527 -0.002 0.000 0.299 416 F C 2.966 178.786 175.800 0.034 0.000 1.090 416 F CA 1.488 59.511 58.000 0.038 0.000 1.307 416 F CB -0.788 38.231 39.000 0.032 0.000 1.019 416 F HN 0.265 nan 8.300 nan 0.000 0.489 417 S N 0.515 116.343 115.700 0.213 0.000 2.370 417 S HA -0.208 4.261 4.470 -0.002 0.000 0.226 417 S C 2.084 176.741 174.600 0.094 0.000 1.033 417 S CA 1.301 59.583 58.200 0.137 0.000 1.011 417 S CB -0.532 62.752 63.200 0.139 0.000 0.852 417 S HN 0.286 nan 8.310 nan 0.000 0.457 418 L N 1.790 123.058 121.223 0.074 0.000 2.056 418 L HA 0.182 4.521 4.340 -0.002 0.000 0.207 418 L C 2.538 179.429 176.870 0.036 0.000 1.078 418 L CA 2.005 56.870 54.840 0.042 0.000 0.749 418 L CB -1.272 40.798 42.059 0.018 0.000 0.901 418 L HN 0.340 nan 8.230 nan 0.000 0.433 419 A N -0.132 122.706 122.820 0.030 0.000 1.908 419 A HA -0.208 4.111 4.320 -0.002 0.000 0.218 419 A C 2.264 179.885 177.584 0.061 0.000 1.181 419 A CA 2.228 54.285 52.037 0.033 0.000 0.627 419 A CB -0.909 18.110 19.000 0.033 0.000 0.818 419 A HN 0.523 nan 8.150 nan 0.000 0.445 420 I N -0.634 119.984 120.570 0.081 0.000 2.226 420 I HA -0.300 3.869 4.170 -0.002 0.000 0.245 420 I C 2.808 178.959 176.117 0.056 0.000 1.100 420 I CA 1.771 63.110 61.300 0.064 0.000 1.374 420 I CB -0.433 37.599 38.000 0.054 0.000 1.057 420 I HN 0.564 nan 8.210 nan 0.000 0.413 421 Q N 1.076 120.911 119.800 0.059 0.000 2.096 421 Q HA -0.229 4.110 4.340 -0.002 0.000 0.204 421 Q C 1.626 177.664 176.000 0.062 0.000 0.982 421 Q CA 1.499 57.341 55.803 0.065 0.000 0.850 421 Q CB 0.103 28.876 28.738 0.058 0.000 0.901 421 Q HN 0.416 nan 8.270 nan 0.000 0.422 422 E N -0.656 119.574 120.200 0.049 0.000 2.489 422 E HA 0.061 4.410 4.350 -0.002 0.000 0.193 422 E C 0.738 177.365 176.600 0.043 0.000 1.057 422 E CA 0.699 57.124 56.400 0.041 0.000 0.866 422 E CB 0.397 30.113 29.700 0.026 0.000 0.916 422 E HN 0.586 nan 8.360 nan 0.000 0.500 423 G N 1.598 110.429 108.800 0.052 0.000 2.249 423 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.273 423 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.273 423 G C 0.444 175.371 174.900 0.045 0.000 1.036 423 G CA 0.424 45.557 45.100 0.054 0.000 0.824 423 G HN 0.173 nan 8.290 nan 0.000 0.504 424 V N 1.259 121.197 119.914 0.040 0.000 2.740 424 V HA 0.470 4.588 4.120 -0.002 0.000 0.303 424 V C 1.443 177.558 176.094 0.035 0.000 1.054 424 V CA 0.498 62.815 62.300 0.029 0.000 1.106 424 V CB 1.048 32.882 31.823 0.018 0.000 0.957 424 V HN 0.787 nan 8.190 nan 0.000 0.486 425 T N 1.974 116.540 114.554 0.021 0.000 2.899 425 T HA 0.357 4.706 4.350 -0.002 0.000 0.284 425 T C 1.031 175.721 174.700 -0.018 0.000 1.004 425 T CA -0.486 61.623 62.100 0.014 0.000 1.043 425 T CB 1.172 70.044 68.868 0.007 0.000 1.013 425 T HN 0.373 nan 8.240 nan 0.000 0.518 426 I N 0.878 121.408 120.570 -0.068 0.000 2.286 426 I HA -0.062 4.107 4.170 -0.002 0.000 0.248 426 I C 2.141 178.181 176.117 -0.128 0.000 1.115 426 I CA 1.596 62.803 61.300 -0.156 0.000 1.392 426 I CB -0.697 37.014 38.000 -0.481 0.000 1.065 426 I HN 0.785 nan 8.210 nan 0.000 0.418 427 E N 0.447 120.583 120.200 -0.107 0.000 2.051 427 E HA -0.257 4.091 4.350 -0.002 0.000 0.192 427 E C 2.242 178.812 176.600 -0.051 0.000 0.991 427 E CA 1.494 57.849 56.400 -0.075 0.000 0.799 427 E CB -0.342 29.328 29.700 -0.051 0.000 0.748 427 E HN 0.444 nan 8.360 nan 0.000 0.449 428 K N 0.062 120.440 120.400 -0.037 0.000 2.097 428 K HA -0.110 4.209 4.320 -0.002 0.000 0.205 428 K C 2.029 178.608 176.600 -0.035 0.000 1.050 428 K CA 0.703 56.973 56.287 -0.029 0.000 0.938 428 K CB -0.135 32.355 32.500 -0.017 0.000 0.718 428 K HN 0.063 nan 8.250 nan 0.000 0.442 429 L N 1.002 122.205 121.223 -0.033 0.000 2.083 429 L HA -0.109 4.230 4.340 -0.002 0.000 0.209 429 L C 2.135 178.979 176.870 -0.043 0.000 1.083 429 L CA 1.936 56.756 54.840 -0.033 0.000 0.752 429 L CB -0.596 41.465 42.059 0.003 0.000 0.899 429 L HN 0.209 nan 8.230 nan 0.000 0.433 430 A N -0.850 121.942 122.820 -0.047 0.000 2.024 430 A HA -0.159 4.160 4.320 -0.002 0.000 0.220 430 A C 2.099 179.645 177.584 -0.063 0.000 1.164 430 A CA 1.915 53.919 52.037 -0.055 0.000 0.643 430 A CB -0.764 18.201 19.000 -0.059 0.000 0.806 430 A HN 0.502 nan 8.150 nan 0.000 0.451 431 L N -0.256 120.933 121.223 -0.057 0.000 2.607 431 L HA 0.064 4.403 4.340 -0.002 0.000 0.228 431 L C 0.316 177.151 176.870 -0.059 0.000 1.123 431 L CA -0.353 54.452 54.840 -0.058 0.000 0.890 431 L CB -0.278 41.755 42.059 -0.045 0.000 1.103 431 L HN 0.118 nan 8.230 nan 0.000 0.468 432 T N 0.393 114.910 114.554 -0.062 0.000 2.946 432 T HA -0.094 4.255 4.350 -0.002 0.000 0.311 432 T C 0.197 174.860 174.700 -0.062 0.000 1.063 432 T CA 0.065 62.128 62.100 -0.061 0.000 1.139 432 T CB 0.630 69.451 68.868 -0.078 0.000 0.994 432 T HN 0.078 nan 8.240 nan 0.000 0.547 433 D N 3.153 123.529 120.400 -0.040 0.000 2.348 433 D HA 0.061 4.700 4.640 -0.002 0.000 0.259 433 D C -0.460 175.834 176.300 -0.010 0.000 1.296 433 D CA -0.319 53.668 54.000 -0.021 0.000 0.931 433 D CB -0.160 40.642 40.800 0.003 0.000 1.067 433 D HN 0.178 nan 8.370 nan 0.000 0.503 434 I N 5.838 126.382 120.570 -0.044 0.000 2.330 434 I HA 0.203 4.372 4.170 -0.002 0.000 0.289 434 I C 0.445 176.526 176.117 -0.061 0.000 1.001 434 I CA -1.037 60.219 61.300 -0.074 0.000 1.193 434 I CB -0.045 37.852 38.000 -0.173 0.000 1.345 434 I HN 0.291 nan 8.210 nan 0.000 0.461 435 F N 6.747 126.712 119.950 0.026 0.000 2.535 435 F HA 0.421 4.947 4.527 -0.002 0.000 0.332 435 F C -0.845 175.051 175.800 0.160 0.000 1.208 435 F CA -0.373 57.672 58.000 0.075 0.000 1.330 435 F CB 0.279 39.321 39.000 0.069 0.000 1.167 435 F HN 0.302 nan 8.300 nan 0.000 0.597 436 F N 3.981 123.964 119.950 0.054 0.000 2.539 436 F HA 0.693 5.219 4.527 -0.002 0.000 0.318 436 F C -2.162 173.774 175.800 0.227 0.000 1.135 436 F CA -1.805 56.167 58.000 -0.047 0.000 0.915 436 F CB 1.555 40.520 39.000 -0.058 0.000 1.176 436 F HN 0.691 nan 8.300 nan 0.000 0.440 437 L N 10.104 131.038 121.223 -0.481 0.000 2.528 437 L HA 0.562 4.901 4.340 -0.002 0.000 0.267 437 L C -2.015 174.541 176.870 -0.524 0.000 0.961 437 L CA -1.630 52.885 54.840 -0.541 0.000 0.866 437 L CB 2.175 44.184 42.059 -0.083 0.000 1.248 437 L HN 0.347 nan 8.230 nan 0.000 0.404 438 P HA -0.276 nan 4.420 nan 0.000 0.217 438 P C 1.138 178.439 177.300 0.002 0.000 1.151 438 P CA 1.650 64.708 63.100 -0.071 0.000 0.849 438 P CB 0.079 31.885 31.700 0.177 0.000 0.787 439 H N -1.455 117.511 119.070 -0.174 0.000 2.491 439 H HA 0.013 4.568 4.556 -0.002 0.000 0.290 439 H C 1.722 177.089 175.328 0.065 0.000 1.050 439 H CA 1.367 57.337 56.048 -0.130 0.000 1.309 439 H CB -0.481 29.089 29.762 -0.319 0.000 1.392 439 H HN 0.144 nan 8.280 nan 0.000 0.554 440 F N -0.673 119.359 119.950 0.136 0.000 2.453 440 F HA 0.160 4.685 4.527 -0.002 0.000 0.284 440 F C 0.607 176.426 175.800 0.032 0.000 1.065 440 F CA -0.228 57.857 58.000 0.142 0.000 1.411 440 F CB 0.313 39.518 39.000 0.342 0.000 1.131 440 F HN 0.238 nan 8.300 nan 0.000 0.582 441 N N -0.428 118.388 118.700 0.194 0.000 3.344 441 N HA 0.287 5.026 4.740 -0.002 0.000 0.296 441 N C -1.681 173.932 175.510 0.172 0.000 1.571 441 N CA -1.057 52.031 53.050 0.063 0.000 0.844 441 N CB 0.952 39.381 38.487 -0.098 0.000 1.718 441 N HN -0.186 nan 8.380 nan 0.000 0.589 442 K N -0.872 119.563 120.400 0.058 0.000 2.166 442 K HA 0.457 4.776 4.320 -0.002 0.000 0.245 442 K C -1.955 174.519 176.600 -0.209 0.000 0.967 442 K CA -1.842 54.453 56.287 0.014 0.000 0.863 442 K CB 1.591 34.063 32.500 -0.047 0.000 1.107 442 K HN 0.260 nan 8.250 nan 0.000 0.436 443 P HA -0.147 nan 4.420 nan 0.000 0.215 443 P C -0.331 176.672 177.300 -0.495 0.000 1.157 443 P CA 1.272 63.846 63.100 -0.877 0.000 0.863 443 P CB 0.148 31.294 31.700 -0.923 0.000 0.787 444 Y N 0.365 120.484 120.300 -0.301 0.000 2.817 444 Y HA 0.149 4.697 4.550 -0.002 0.000 0.339 444 Y C 0.899 176.677 175.900 -0.202 0.000 1.281 444 Y CA -1.311 56.657 58.100 -0.219 0.000 1.564 444 Y CB -1.611 36.748 38.460 -0.169 0.000 1.628 444 Y HN 0.012 nan 8.280 nan 0.000 0.489 445 N N -1.141 117.457 118.700 -0.169 0.000 2.340 445 N HA -0.134 4.605 4.740 -0.002 0.000 0.236 445 N C 0.791 176.174 175.510 -0.213 0.000 1.296 445 N CA -0.189 52.707 53.050 -0.255 0.000 0.896 445 N CB 0.327 38.572 38.487 -0.403 0.000 1.127 445 N HN 0.438 nan 8.380 nan 0.000 0.442 446 Y N -1.647 118.665 120.300 0.020 0.000 2.421 446 Y HA 0.123 4.672 4.550 -0.002 0.000 0.292 446 Y C 1.568 177.473 175.900 0.008 0.000 1.136 446 Y CA 0.393 58.527 58.100 0.055 0.000 1.255 446 Y CB -0.621 37.980 38.460 0.234 0.000 0.991 446 Y HN 0.468 nan 8.280 nan 0.000 0.552 447 I N 0.444 121.039 120.570 0.042 0.000 2.193 447 I HA -0.233 3.935 4.170 -0.002 0.000 0.240 447 I C 2.264 178.404 176.117 0.038 0.000 1.084 447 I CA 1.778 63.184 61.300 0.176 0.000 1.365 447 I CB -0.615 37.450 38.000 0.107 0.000 1.064 447 I HN 0.213 nan 8.210 nan 0.000 0.410 448 T N 0.953 115.456 114.554 -0.086 0.000 2.720 448 T HA -0.171 4.178 4.350 -0.002 0.000 0.268 448 T C 1.953 176.574 174.700 -0.132 0.000 1.037 448 T CA 1.310 63.343 62.100 -0.112 0.000 1.144 448 T CB -0.107 68.660 68.868 -0.168 0.000 0.864 448 T HN 0.134 nan 8.240 nan 0.000 0.444 449 M N 1.034 120.494 119.600 -0.233 0.000 2.117 449 M HA 0.051 4.530 4.480 -0.002 0.000 0.262 449 M C 2.810 178.890 176.300 -0.366 0.000 1.065 449 M CA 1.342 56.375 55.300 -0.445 0.000 1.114 449 M CB -1.523 30.415 32.600 -1.103 0.000 1.361 449 M HN 0.314 nan 8.290 nan 0.000 0.408 450 A N 0.154 122.847 122.820 -0.212 0.000 1.877 450 A HA -0.013 4.306 4.320 -0.002 0.000 0.216 450 A C 2.439 180.031 177.584 0.013 0.000 1.186 450 A CA 2.233 54.273 52.037 0.005 0.000 0.620 450 A CB -0.977 18.104 19.000 0.135 0.000 0.822 450 A HN 0.471 nan 8.150 nan 0.000 0.443 451 A N -0.283 122.539 122.820 0.004 0.000 1.877 451 A HA -0.061 4.258 4.320 -0.002 0.000 0.216 451 A C 2.165 179.714 177.584 -0.059 0.000 1.186 451 A CA 1.516 53.541 52.037 -0.021 0.000 0.620 451 A CB -0.686 18.309 19.000 -0.008 0.000 0.822 451 A HN 0.467 nan 8.150 nan 0.000 0.443 452 L N -0.631 120.557 121.223 -0.058 0.000 2.127 452 L HA -0.147 4.192 4.340 -0.002 0.000 0.211 452 L C 2.512 179.364 176.870 -0.031 0.000 1.089 452 L CA 0.952 55.764 54.840 -0.048 0.000 0.757 452 L CB -0.490 41.545 42.059 -0.041 0.000 0.899 452 L HN 0.521 nan 8.230 nan 0.000 0.434 453 G N -0.455 108.333 108.800 -0.020 0.000 2.848 453 G HA2 0.146 4.104 3.960 -0.002 0.000 0.208 453 G HA3 0.146 4.104 3.960 -0.002 0.000 0.208 453 G C 0.759 175.687 174.900 0.047 0.000 1.152 453 G CA 0.273 45.389 45.100 0.027 0.000 0.789 453 G HN 0.367 nan 8.290 nan 0.000 0.531 454 A N 0.109 122.930 122.820 0.002 0.000 2.573 454 A HA 0.305 4.623 4.320 -0.002 0.000 0.250 454 A C 1.364 178.994 177.584 0.076 0.000 1.049 454 A CA 0.471 52.512 52.037 0.008 0.000 0.767 454 A CB 0.406 19.246 19.000 -0.268 0.000 0.965 454 A HN 0.193 nan 8.150 nan 0.000 0.514 455 K N 1.217 121.718 120.400 0.167 0.000 2.308 455 K HA 0.139 4.457 4.320 -0.002 0.000 0.197 455 K C -0.154 176.534 176.600 0.146 0.000 1.049 455 K CA 1.019 57.382 56.287 0.128 0.000 0.991 455 K CB 0.205 32.769 32.500 0.106 0.000 0.836 455 K HN 0.855 nan 8.250 nan 0.000 0.500 456 D N 0.000 120.548 120.400 0.246 0.000 6.856 456 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 456 D CA 0.000 54.126 54.000 0.210 0.000 0.868 456 D CB 0.000 40.879 40.800 0.132 0.000 0.688 456 D HN 0.000 nan 8.370 nan 0.000 0.683