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 2cfo_1_A DATA FIRST_RESID 2 DATA SEQUENCE TVRVRLAPSP TGNLHIGTAR TAVFNWLYAR HRGGKFILRI EDTDRERSRP DATA SEQUENCE EYTENILEGL QWLGLTWDEG PYFQSDRLDL YRQAIQTLLD KGLAYYCYCT DATA SEQUENCE PEELEALRAE QKAKGQAPRY DNRHRHLTPE EQAAFEAAGR TPVIRFKIED DATA SEQUENCE DRQIEWQDLV RGRVSWQGAD LGGDMVIARA APRGEIGYPL YNLVVVVDDI DATA SEQUENCE AMGITDVIRG EDHIGNTPKQ ILLYEALGAT PPNFAHTPLI LNSTGQKLSK DATA SEQUENCE RDGVTSISDF RAMGYLAPAL ANYMTLLGWS PPEGVGELFT LDLAAKHFSF DATA SEQUENCE ERINKAGARF DWDKLNWLNR QYIQQLEPEE FLAELIPLWQ GAGYAFDEER DATA SEQUENCE DRPWLFDLAQ LLQPGLNTLR EAIDQGAVFF IPSVTFDSEA MAQLGQPQSA DATA SEQUENCE TILAYLLEHL PAEPALTVAM GQQLIQQAAK AAGVKKGATM RTLRAALTGA DATA SEQUENCE VHGPDLMAAW QILHQRGWDE PRLAAALKQA QTTS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.704 174.700 0.007 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 2 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 3 V N 4.082 123.998 119.914 0.004 0.000 2.585 3 V HA 0.312 4.440 4.120 0.014 0.000 0.296 3 V C 0.491 176.624 176.094 0.065 0.000 1.035 3 V CA 0.328 62.657 62.300 0.049 0.000 1.084 3 V CB 0.359 32.200 31.823 0.030 0.000 0.953 3 V HN 0.635 nan 8.190 nan 0.000 0.483 4 R N 3.738 124.292 120.500 0.091 0.000 2.476 4 R HA 0.713 5.062 4.340 0.014 0.000 0.305 4 R C -0.965 175.413 176.300 0.130 0.000 0.965 4 R CA -0.548 55.610 56.100 0.096 0.000 0.867 4 R CB 2.116 32.455 30.300 0.064 0.000 1.176 4 R HN 0.643 nan 8.270 nan 0.000 0.447 5 V N -0.029 119.989 119.914 0.174 0.000 3.074 5 V HA 0.791 4.919 4.120 0.014 0.000 0.314 5 V C -0.827 175.348 176.094 0.134 0.000 1.117 5 V CA -1.093 61.334 62.300 0.213 0.000 1.014 5 V CB 2.204 34.246 31.823 0.365 0.000 1.057 5 V HN 0.828 nan 8.190 nan 0.000 0.438 6 R N 2.130 122.685 120.500 0.092 0.000 2.668 6 R HA 0.669 5.017 4.340 0.014 0.000 0.272 6 R C -2.301 173.962 176.300 -0.061 0.000 1.019 6 R CA -0.839 55.194 56.100 -0.112 0.000 0.894 6 R CB 1.402 31.662 30.300 -0.068 0.000 1.228 6 R HN 0.884 nan 8.270 nan 0.000 0.460 7 L N 1.595 122.664 121.223 -0.258 0.000 2.309 7 L HA 0.733 5.082 4.340 0.014 0.000 0.282 7 L C -0.373 176.440 176.870 -0.095 0.000 1.036 7 L CA 0.048 54.856 54.840 -0.053 0.000 0.806 7 L CB 1.710 43.793 42.059 0.040 0.000 1.220 7 L HN 0.931 nan 8.230 nan 0.000 0.429 8 A N 6.235 129.046 122.820 -0.014 0.000 3.248 8 A HA 0.582 4.911 4.320 0.014 0.000 0.315 8 A C -2.598 174.982 177.584 -0.007 0.000 0.974 8 A CA -1.050 50.976 52.037 -0.018 0.000 0.939 8 A CB -0.639 18.381 19.000 0.034 0.000 1.061 8 A HN 0.506 nan 8.150 nan 0.000 0.481 9 P HA 0.283 nan 4.420 nan 0.000 0.278 9 P C 0.024 177.317 177.300 -0.011 0.000 1.238 9 P CA 0.052 63.145 63.100 -0.012 0.000 0.794 9 P CB 1.413 33.110 31.700 -0.006 0.000 0.955 10 S N 1.842 117.538 115.700 -0.007 0.000 2.475 10 S HA 0.367 4.845 4.470 0.014 0.000 0.281 10 S C -2.024 172.592 174.600 0.027 0.000 1.198 10 S CA -1.413 56.792 58.200 0.009 0.000 1.063 10 S CB 0.400 63.590 63.200 -0.017 0.000 0.972 10 S HN 0.333 nan 8.310 nan 0.000 0.486 11 P HA 0.154 nan 4.420 nan 0.000 0.228 11 P C 0.689 178.102 177.300 0.187 0.000 1.748 11 P CA -0.271 62.916 63.100 0.145 0.000 0.909 11 P CB -0.722 31.092 31.700 0.189 0.000 1.882 12 T N -3.449 111.117 114.554 0.019 0.000 3.081 12 T HA 0.398 4.756 4.350 0.014 0.000 0.250 12 T C 0.935 175.372 174.700 -0.438 0.000 1.100 12 T CA 0.097 62.166 62.100 -0.052 0.000 1.038 12 T CB 0.296 69.131 68.868 -0.054 0.000 0.962 12 T HN 0.275 nan 8.240 nan 0.000 0.516 13 G N 0.350 108.711 108.800 -0.731 0.000 2.559 13 G HA2 0.477 4.445 3.960 0.014 0.000 0.291 13 G HA3 0.477 4.445 3.960 0.014 0.000 0.291 13 G C -1.639 172.904 174.900 -0.595 0.000 1.424 13 G CA -1.057 43.377 45.100 -1.110 0.000 0.786 13 G HN 0.040 nan 8.290 nan 0.000 0.485 14 N N -0.738 117.758 118.700 -0.340 0.000 2.381 14 N HA 0.173 4.922 4.740 0.014 0.000 0.241 14 N C 0.281 175.664 175.510 -0.211 0.000 1.279 14 N CA -0.487 52.487 53.050 -0.127 0.000 0.896 14 N CB 0.732 39.138 38.487 -0.136 0.000 1.118 14 N HN 0.454 nan 8.380 nan 0.000 0.438 15 L N 2.675 123.829 121.223 -0.116 0.000 2.654 15 L HA -0.008 4.341 4.340 0.014 0.000 0.271 15 L C -0.215 176.541 176.870 -0.190 0.000 1.169 15 L CA 0.599 55.399 54.840 -0.066 0.000 0.947 15 L CB -0.845 41.226 42.059 0.019 0.000 1.232 15 L HN 0.468 nan 8.230 nan 0.000 0.486 16 H N 3.323 122.415 119.070 0.037 0.000 2.488 16 H HA 0.239 4.804 4.556 0.014 0.000 0.347 16 H C 1.144 176.502 175.328 0.049 0.000 1.174 16 H CA 0.027 56.105 56.048 0.051 0.000 1.307 16 H CB 1.116 30.887 29.762 0.015 0.000 1.517 16 H HN 0.689 nan 8.280 nan 0.000 0.554 17 I N 1.009 121.690 120.570 0.186 0.000 2.194 17 I HA -0.245 3.934 4.170 0.014 0.000 0.246 17 I C 2.140 178.268 176.117 0.019 0.000 1.093 17 I CA 1.910 63.248 61.300 0.064 0.000 1.355 17 I CB -0.395 37.622 38.000 0.028 0.000 1.046 17 I HN 0.847 nan 8.210 nan 0.000 0.413 18 G N -0.523 108.308 108.800 0.052 0.000 2.446 18 G HA2 -0.265 3.703 3.960 0.014 0.000 0.217 18 G HA3 -0.265 3.703 3.960 0.014 0.000 0.217 18 G C 1.511 176.425 174.900 0.025 0.000 1.168 18 G CA 1.393 46.509 45.100 0.026 0.000 0.771 18 G HN 0.387 nan 8.290 nan 0.000 0.551 19 T N 1.711 116.299 114.554 0.056 0.000 2.737 19 T HA 0.056 4.414 4.350 0.014 0.000 0.265 19 T C 2.836 177.558 174.700 0.036 0.000 1.038 19 T CA 1.527 63.663 62.100 0.060 0.000 1.144 19 T CB -0.468 68.446 68.868 0.077 0.000 0.866 19 T HN 0.367 nan 8.240 nan 0.000 0.434 20 A N 1.967 124.799 122.820 0.019 0.000 1.940 20 A HA -0.150 4.178 4.320 0.014 0.000 0.219 20 A C 2.342 179.854 177.584 -0.120 0.000 1.176 20 A CA 1.382 53.407 52.037 -0.019 0.000 0.631 20 A CB -0.565 18.427 19.000 -0.014 0.000 0.814 20 A HN 0.227 nan 8.150 nan 0.000 0.446 21 R N -0.473 119.925 120.500 -0.169 0.000 2.083 21 R HA -0.120 4.228 4.340 0.014 0.000 0.237 21 R C 2.158 178.187 176.300 -0.452 0.000 1.137 21 R CA 2.208 58.086 56.100 -0.370 0.000 0.951 21 R CB -1.085 29.044 30.300 -0.286 0.000 0.851 21 R HN 0.519 nan 8.270 nan 0.000 0.434 22 T N 0.980 115.447 114.554 -0.145 0.000 2.720 22 T HA -0.137 4.222 4.350 0.014 0.000 0.268 22 T C 1.809 176.555 174.700 0.077 0.000 1.037 22 T CA 1.601 63.726 62.100 0.042 0.000 1.144 22 T CB -0.315 68.626 68.868 0.121 0.000 0.864 22 T HN 0.448 nan 8.240 nan 0.000 0.444 23 A N 0.891 123.747 122.820 0.060 0.000 1.933 23 A HA -0.061 4.268 4.320 0.014 0.000 0.218 23 A C 2.571 180.101 177.584 -0.089 0.000 1.175 23 A CA 1.404 53.517 52.037 0.126 0.000 0.628 23 A CB -0.950 18.160 19.000 0.182 0.000 0.814 23 A HN 0.378 nan 8.150 nan 0.000 0.444 24 V N -1.005 118.782 119.914 -0.211 0.000 2.295 24 V HA -0.225 3.903 4.120 0.014 0.000 0.246 24 V C 2.313 178.273 176.094 -0.223 0.000 1.049 24 V CA 1.957 64.078 62.300 -0.299 0.000 1.024 24 V CB -1.057 30.515 31.823 -0.418 0.000 0.648 24 V HN 0.532 nan 8.190 nan 0.000 0.447 25 F N 0.868 120.701 119.950 -0.195 0.000 2.171 25 F HA -0.089 4.446 4.527 0.014 0.000 0.300 25 F C 2.384 178.060 175.800 -0.207 0.000 1.090 25 F CA 0.757 58.563 58.000 -0.324 0.000 1.293 25 F CB -1.201 37.814 39.000 0.025 0.000 1.013 25 F HN 0.222 nan 8.300 nan 0.000 0.486 26 N N -1.000 117.811 118.700 0.185 0.000 2.080 26 N HA -0.235 4.513 4.740 0.014 0.000 0.189 26 N C 1.935 177.451 175.510 0.010 0.000 1.036 26 N CA 1.410 54.604 53.050 0.240 0.000 0.846 26 N CB -0.806 37.980 38.487 0.499 0.000 1.015 26 N HN 0.386 nan 8.380 nan 0.000 0.423 27 W N 2.420 123.392 121.300 -0.547 0.000 2.335 27 W HA -0.036 4.632 4.660 0.014 0.000 0.311 27 W C 2.146 178.453 176.519 -0.353 0.000 1.213 27 W CA 0.982 57.958 57.345 -0.616 0.000 1.274 27 W CB -0.362 28.680 29.460 -0.696 0.000 1.148 27 W HN -0.024 nan 8.180 nan 0.000 0.498 28 L N -0.864 120.324 121.223 -0.058 0.000 2.083 28 L HA -0.260 4.088 4.340 0.014 0.000 0.209 28 L C 2.346 179.031 176.870 -0.308 0.000 1.083 28 L CA 1.579 56.237 54.840 -0.304 0.000 0.752 28 L CB -1.188 40.373 42.059 -0.831 0.000 0.899 28 L HN 0.099 nan 8.230 nan 0.000 0.433 29 Y N 0.464 120.561 120.300 -0.338 0.000 2.220 29 Y HA -0.137 4.422 4.550 0.014 0.000 0.291 29 Y C 2.499 178.405 175.900 0.011 0.000 1.129 29 Y CA 0.999 59.075 58.100 -0.041 0.000 1.161 29 Y CB -0.223 38.297 38.460 0.100 0.000 0.997 29 Y HN 0.075 nan 8.280 nan 0.000 0.522 30 A N 0.325 123.112 122.820 -0.055 0.000 1.877 30 A HA -0.210 4.118 4.320 0.014 0.000 0.216 30 A C 2.234 179.646 177.584 -0.287 0.000 1.186 30 A CA 1.963 53.914 52.037 -0.142 0.000 0.620 30 A CB -0.684 18.281 19.000 -0.058 0.000 0.822 30 A HN 0.396 nan 8.150 nan 0.000 0.443 31 R N -0.698 119.545 120.500 -0.428 0.000 2.081 31 R HA -0.171 4.177 4.340 0.014 0.000 0.235 31 R C 2.048 178.183 176.300 -0.274 0.000 1.131 31 R CA 2.205 58.022 56.100 -0.472 0.000 0.960 31 R CB -1.056 28.782 30.300 -0.769 0.000 0.856 31 R HN 0.754 nan 8.270 nan 0.000 0.436 32 H N -0.044 118.843 119.070 -0.305 0.000 2.352 32 H HA 0.026 4.590 4.556 0.014 0.000 0.299 32 H C 1.084 176.256 175.328 -0.260 0.000 1.097 32 H CA 1.947 57.852 56.048 -0.238 0.000 1.311 32 H CB 0.198 29.851 29.762 -0.181 0.000 1.377 32 H HN 0.017 nan 8.280 nan 0.000 0.504 33 R N -0.198 120.086 120.500 -0.360 0.000 2.317 33 R HA 0.167 4.516 4.340 0.014 0.000 0.208 33 R C 0.707 176.852 176.300 -0.257 0.000 0.914 33 R CA 0.604 56.481 56.100 -0.371 0.000 1.060 33 R CB -0.102 29.931 30.300 -0.444 0.000 1.015 33 R HN 0.540 nan 8.270 nan 0.000 0.498 34 G N 1.254 109.908 108.800 -0.243 0.000 2.323 34 G HA2 -0.252 3.716 3.960 0.014 0.000 0.292 34 G HA3 -0.252 3.716 3.960 0.014 0.000 0.292 34 G C 0.363 175.177 174.900 -0.144 0.000 1.040 34 G CA 0.403 45.390 45.100 -0.187 0.000 0.942 34 G HN 0.551 nan 8.290 nan 0.000 0.506 35 G N -1.096 107.616 108.800 -0.147 0.000 2.795 35 G HA2 0.708 4.676 3.960 0.014 0.000 0.267 35 G HA3 0.708 4.676 3.960 0.014 0.000 0.267 35 G C -0.383 174.486 174.900 -0.052 0.000 1.362 35 G CA -0.784 44.269 45.100 -0.078 0.000 1.048 35 G HN 0.248 nan 8.290 nan 0.000 0.547 36 K N -0.539 119.872 120.400 0.019 0.000 2.156 36 K HA 0.455 4.784 4.320 0.014 0.000 0.254 36 K C -1.792 174.909 176.600 0.167 0.000 0.950 36 K CA -0.702 55.626 56.287 0.069 0.000 0.849 36 K CB 2.273 34.815 32.500 0.069 0.000 1.100 36 K HN 0.299 nan 8.250 nan 0.000 0.434 37 F N 3.060 123.027 119.950 0.028 0.000 2.375 37 F HA 0.400 4.935 4.527 0.014 0.000 0.361 37 F C -0.724 175.167 175.800 0.152 0.000 1.117 37 F CA -1.292 56.765 58.000 0.095 0.000 1.037 37 F CB 0.505 39.573 39.000 0.112 0.000 1.192 37 F HN 0.325 nan 8.300 nan 0.000 0.452 38 I N 6.489 126.882 120.570 -0.295 0.000 2.392 38 I HA 0.341 4.520 4.170 0.014 0.000 0.295 38 I C -1.030 174.739 176.117 -0.580 0.000 0.985 38 I CA -0.634 60.501 61.300 -0.276 0.000 1.221 38 I CB 1.593 39.554 38.000 -0.066 0.000 1.366 38 I HN 0.484 nan 8.210 nan 0.000 0.467 39 L N 7.285 128.169 121.223 -0.565 0.000 2.313 39 L HA 0.599 4.948 4.340 0.014 0.000 0.283 39 L C -0.527 176.033 176.870 -0.516 0.000 1.013 39 L CA -0.259 54.182 54.840 -0.664 0.000 0.816 39 L CB 0.917 42.368 42.059 -1.013 0.000 1.236 39 L HN 0.593 nan 8.230 nan 0.000 0.419 40 R N 5.543 125.832 120.500 -0.352 0.000 2.480 40 R HA 0.617 4.966 4.340 0.014 0.000 0.306 40 R C -1.404 174.745 176.300 -0.251 0.000 0.958 40 R CA -0.692 55.271 56.100 -0.229 0.000 0.861 40 R CB 1.097 31.350 30.300 -0.079 0.000 1.171 40 R HN 0.591 nan 8.270 nan 0.000 0.445 41 I N 4.007 124.384 120.570 -0.321 0.000 2.321 41 I HA 0.180 4.359 4.170 0.014 0.000 0.291 41 I C 0.117 176.219 176.117 -0.025 0.000 0.998 41 I CA -0.260 60.908 61.300 -0.220 0.000 1.227 41 I CB 1.653 39.435 38.000 -0.363 0.000 1.368 41 I HN 0.702 nan 8.210 nan 0.000 0.466 42 E N 5.180 125.393 120.200 0.022 0.000 2.232 42 E HA 0.039 4.398 4.350 0.014 0.000 0.296 42 E C -0.502 176.166 176.600 0.112 0.000 1.372 42 E CA -0.353 56.092 56.400 0.075 0.000 1.527 42 E CB 0.064 29.799 29.700 0.058 0.000 1.424 42 E HN 0.475 nan 8.360 nan 0.000 0.485 43 D N 1.376 121.877 120.400 0.167 0.000 2.339 43 D HA 0.001 4.650 4.640 0.014 0.000 0.256 43 D C 0.029 176.422 176.300 0.155 0.000 1.214 43 D CA -0.112 53.991 54.000 0.171 0.000 0.877 43 D CB 1.484 42.424 40.800 0.234 0.000 1.111 43 D HN 0.009 nan 8.370 nan 0.000 0.478 44 T N 0.172 114.775 114.554 0.082 0.000 2.945 44 T HA 0.147 4.505 4.350 0.014 0.000 0.286 44 T C 1.139 175.763 174.700 -0.126 0.000 1.025 44 T CA -0.728 61.363 62.100 -0.015 0.000 1.039 44 T CB 1.380 70.212 68.868 -0.061 0.000 1.068 44 T HN 0.369 nan 8.240 nan 0.000 0.497 45 D N 1.671 121.864 120.400 -0.346 0.000 2.384 45 D HA -0.098 4.550 4.640 0.014 0.000 0.222 45 D C 0.621 176.803 176.300 -0.197 0.000 0.976 45 D CA 0.329 54.163 54.000 -0.278 0.000 0.915 45 D CB -0.193 40.366 40.800 -0.402 0.000 0.896 45 D HN 0.285 nan 8.370 nan 0.000 0.523 46 R N 1.415 121.802 120.500 -0.188 0.000 2.678 46 R HA -0.070 4.279 4.340 0.014 0.000 0.264 46 R C 1.856 178.123 176.300 -0.054 0.000 0.995 46 R CA 0.315 56.349 56.100 -0.110 0.000 1.098 46 R CB 0.288 30.541 30.300 -0.077 0.000 0.949 46 R HN 0.410 nan 8.270 nan 0.000 0.422 47 E N 3.572 123.750 120.200 -0.037 0.000 2.110 47 E HA -0.232 4.126 4.350 0.014 0.000 0.193 47 E C 1.325 177.939 176.600 0.024 0.000 0.988 47 E CA 1.216 57.610 56.400 -0.011 0.000 0.804 47 E CB -0.150 29.545 29.700 -0.009 0.000 0.745 47 E HN 0.467 nan 8.360 nan 0.000 0.458 48 R N 0.877 121.398 120.500 0.035 0.000 2.092 48 R HA 0.030 4.379 4.340 0.014 0.000 0.231 48 R C 1.212 177.608 176.300 0.161 0.000 1.119 48 R CA 0.735 56.891 56.100 0.094 0.000 0.970 48 R CB -0.155 30.173 30.300 0.046 0.000 0.864 48 R HN 0.020 nan 8.270 nan 0.000 0.440 49 S N 1.176 116.932 115.700 0.094 0.000 2.443 49 S HA 0.160 4.639 4.470 0.014 0.000 0.284 49 S C -0.360 174.291 174.600 0.086 0.000 1.206 49 S CA -0.164 58.105 58.200 0.115 0.000 1.074 49 S CB 0.226 63.463 63.200 0.062 0.000 0.963 49 S HN 0.135 nan 8.310 nan 0.000 0.501 50 R N 3.833 124.394 120.500 0.102 0.000 2.740 50 R HA 0.332 4.680 4.340 0.014 0.000 0.273 50 R C -2.262 174.015 176.300 -0.038 0.000 0.998 50 R CA -2.088 53.998 56.100 -0.023 0.000 0.900 50 R CB 1.522 31.743 30.300 -0.132 0.000 1.223 50 R HN 0.279 nan 8.270 nan 0.000 0.466 51 P HA -0.160 nan 4.420 nan 0.000 0.226 51 P C 0.823 178.096 177.300 -0.045 0.000 1.153 51 P CA 0.916 64.000 63.100 -0.028 0.000 0.777 51 P CB 0.262 31.933 31.700 -0.048 0.000 0.794 52 E N -0.899 119.211 120.200 -0.151 0.000 2.208 52 E HA -0.195 4.164 4.350 0.014 0.000 0.193 52 E C 1.143 177.679 176.600 -0.106 0.000 0.988 52 E CA 1.299 57.591 56.400 -0.180 0.000 0.828 52 E CB -1.030 28.495 29.700 -0.291 0.000 0.763 52 E HN 0.272 nan 8.360 nan 0.000 0.478 53 Y N 2.253 122.566 120.300 0.021 0.000 2.286 53 Y HA 0.018 4.576 4.550 0.014 0.000 0.293 53 Y C 2.724 178.644 175.900 0.034 0.000 1.124 53 Y CA 1.259 59.373 58.100 0.023 0.000 1.178 53 Y CB -0.814 37.662 38.460 0.028 0.000 1.010 53 Y HN 0.008 nan 8.280 nan 0.000 0.536 54 T N -0.042 114.621 114.554 0.182 0.000 2.684 54 T HA -0.248 4.110 4.350 0.014 0.000 0.267 54 T C 1.768 176.541 174.700 0.121 0.000 1.036 54 T CA 1.783 63.974 62.100 0.152 0.000 1.148 54 T CB -0.282 68.713 68.868 0.212 0.000 0.863 54 T HN 0.288 nan 8.240 nan 0.000 0.436 55 E N 1.956 122.215 120.200 0.099 0.000 2.049 55 E HA -0.202 4.157 4.350 0.014 0.000 0.198 55 E C 2.159 178.809 176.600 0.084 0.000 1.007 55 E CA 1.449 57.898 56.400 0.081 0.000 0.809 55 E CB -0.507 29.217 29.700 0.040 0.000 0.749 55 E HN 0.389 nan 8.360 nan 0.000 0.450 56 N N -0.059 118.691 118.700 0.083 0.000 2.289 56 N HA -0.149 4.600 4.740 0.014 0.000 0.184 56 N C 1.884 177.445 175.510 0.085 0.000 1.016 56 N CA 1.308 54.404 53.050 0.077 0.000 0.872 56 N CB -0.076 38.471 38.487 0.100 0.000 0.973 56 N HN 0.304 nan 8.380 nan 0.000 0.433 57 I N 0.720 121.347 120.570 0.094 0.000 2.193 57 I HA -0.241 3.937 4.170 0.014 0.000 0.240 57 I C 2.192 178.374 176.117 0.109 0.000 1.084 57 I CA 0.655 62.003 61.300 0.080 0.000 1.365 57 I CB -0.171 37.856 38.000 0.046 0.000 1.064 57 I HN 0.054 nan 8.210 nan 0.000 0.410 58 L N 0.304 121.594 121.223 0.112 0.000 2.017 58 L HA -0.230 4.119 4.340 0.014 0.000 0.208 58 L C 2.595 179.644 176.870 0.299 0.000 1.073 58 L CA 1.556 56.530 54.840 0.223 0.000 0.745 58 L CB -0.821 41.368 42.059 0.216 0.000 0.894 58 L HN 0.237 nan 8.230 nan 0.000 0.432 59 E N 0.943 121.261 120.200 0.196 0.000 2.065 59 E HA -0.220 4.138 4.350 0.014 0.000 0.201 59 E C 2.162 178.883 176.600 0.202 0.000 1.016 59 E CA 1.942 58.436 56.400 0.158 0.000 0.818 59 E CB -0.641 29.103 29.700 0.073 0.000 0.749 59 E HN 0.333 nan 8.360 nan 0.000 0.453 60 G N 0.291 109.200 108.800 0.182 0.000 2.422 60 G HA2 -0.202 3.766 3.960 0.014 0.000 0.218 60 G HA3 -0.202 3.766 3.960 0.014 0.000 0.218 60 G C 1.647 176.715 174.900 0.280 0.000 1.146 60 G CA 0.947 46.194 45.100 0.246 0.000 0.769 60 G HN 0.297 nan 8.290 nan 0.000 0.547 61 L N -0.290 121.088 121.223 0.259 0.000 2.056 61 L HA -0.065 4.283 4.340 0.014 0.000 0.207 61 L C 3.195 180.185 176.870 0.200 0.000 1.078 61 L CA 0.816 55.816 54.840 0.266 0.000 0.749 61 L CB -0.313 42.008 42.059 0.437 0.000 0.901 61 L HN 0.140 nan 8.230 nan 0.000 0.433 62 Q N -0.920 119.020 119.800 0.234 0.000 2.046 62 Q HA -0.248 4.100 4.340 0.014 0.000 0.200 62 Q C 1.947 177.996 176.000 0.082 0.000 0.975 62 Q CA 1.764 57.622 55.803 0.091 0.000 0.836 62 Q CB -0.527 28.271 28.738 0.100 0.000 0.896 62 Q HN 0.578 nan 8.270 nan 0.000 0.428 63 W N 1.395 122.682 121.300 -0.022 0.000 2.358 63 W HA -0.129 4.539 4.660 0.014 0.000 0.303 63 W C 1.602 178.069 176.519 -0.087 0.000 1.208 63 W CA 1.151 58.471 57.345 -0.042 0.000 1.274 63 W CB -0.297 29.156 29.460 -0.011 0.000 1.138 63 W HN 0.059 nan 8.180 nan 0.000 0.515 64 L N 0.855 121.991 121.223 -0.146 0.000 2.551 64 L HA 0.137 4.485 4.340 0.014 0.000 0.228 64 L C 1.913 178.519 176.870 -0.439 0.000 1.153 64 L CA 0.886 55.494 54.840 -0.386 0.000 0.851 64 L CB -1.154 40.778 42.059 -0.213 0.000 0.959 64 L HN 0.316 nan 8.230 nan 0.000 0.451 65 G N 0.485 109.072 108.800 -0.356 0.000 2.147 65 G HA2 -0.282 3.686 3.960 0.014 0.000 0.244 65 G HA3 -0.282 3.686 3.960 0.014 0.000 0.244 65 G C 0.279 174.808 174.900 -0.619 0.000 1.005 65 G CA -0.203 44.647 45.100 -0.417 0.000 0.713 65 G HN 0.291 nan 8.290 nan 0.000 0.515 66 L N 2.542 123.481 121.223 -0.473 0.000 2.648 66 L HA 0.251 4.599 4.340 0.014 0.000 0.238 66 L C 1.465 178.354 176.870 0.031 0.000 1.316 66 L CA 0.145 54.666 54.840 -0.533 0.000 1.241 66 L CB -0.265 41.617 42.059 -0.295 0.000 1.499 66 L HN 0.422 nan 8.230 nan 0.000 0.411 67 T N -2.098 112.502 114.554 0.078 0.000 2.792 67 T HA 0.018 4.377 4.350 0.014 0.000 0.286 67 T C -0.149 174.807 174.700 0.426 0.000 0.970 67 T CA -0.665 61.498 62.100 0.106 0.000 1.187 67 T CB -0.090 68.842 68.868 0.107 0.000 0.915 67 T HN 0.367 nan 8.240 nan 0.000 0.529 68 W N 2.659 124.211 121.300 0.421 0.000 2.303 68 W HA 0.593 5.261 4.660 0.014 0.000 0.334 68 W C 0.198 176.823 176.519 0.176 0.000 1.197 68 W CA -1.373 56.218 57.345 0.410 0.000 1.262 68 W CB 0.603 30.139 29.460 0.127 0.000 1.153 68 W HN 0.486 nan 8.180 nan 0.000 0.596 69 D N 0.528 121.126 120.400 0.329 0.000 2.355 69 D HA -0.017 4.631 4.640 0.014 0.000 0.206 69 D C -0.298 176.105 176.300 0.171 0.000 1.010 69 D CA 0.811 54.909 54.000 0.164 0.000 0.875 69 D CB 0.536 41.405 40.800 0.115 0.000 0.966 69 D HN 0.563 nan 8.370 nan 0.000 0.512 70 E N 0.066 120.384 120.200 0.197 0.000 2.292 70 E HA 0.507 4.866 4.350 0.014 0.000 0.272 70 E C 0.049 176.467 176.600 -0.304 0.000 0.881 70 E CA -0.677 55.727 56.400 0.008 0.000 0.754 70 E CB 2.935 32.685 29.700 0.084 0.000 1.201 70 E HN 0.077 nan 8.360 nan 0.000 0.425 71 G N 3.054 111.443 108.800 -0.686 0.000 2.548 71 G HA2 -0.151 3.818 3.960 0.014 0.000 0.208 71 G HA3 -0.151 3.818 3.960 0.014 0.000 0.208 71 G C -2.735 171.903 174.900 -0.438 0.000 1.308 71 G CA -1.115 43.384 45.100 -1.001 0.000 0.924 71 G HN 0.437 nan 8.290 nan 0.000 0.540 72 P HA 0.354 nan 4.420 nan 0.000 0.267 72 P C -1.086 175.790 177.300 -0.706 0.000 1.209 72 P CA 0.299 62.884 63.100 -0.860 0.000 0.763 72 P CB 0.113 31.253 31.700 -0.933 0.000 0.816 73 Y N 2.655 122.687 120.300 -0.447 0.000 2.350 73 Y HA 0.322 4.881 4.550 0.015 0.000 0.340 73 Y C 0.571 176.265 175.900 -0.344 0.000 1.006 73 Y CA -0.472 57.477 58.100 -0.253 0.000 1.166 73 Y CB 0.216 38.593 38.460 -0.138 0.000 1.168 73 Y HN 0.224 nan 8.280 nan 0.000 0.502 74 F N 1.919 121.947 119.950 0.130 0.000 2.411 74 F HA 0.175 4.710 4.527 0.014 0.000 0.350 74 F C 1.646 177.505 175.800 0.098 0.000 1.114 74 F CA -0.356 57.692 58.000 0.079 0.000 1.135 74 F CB 1.310 40.343 39.000 0.055 0.000 1.120 74 F HN 0.560 nan 8.300 nan 0.000 0.495 75 Q N 1.612 121.568 119.800 0.261 0.000 2.152 75 Q HA -0.232 4.117 4.340 0.014 0.000 0.206 75 Q C 2.063 178.235 176.000 0.286 0.000 0.985 75 Q CA 2.309 58.280 55.803 0.280 0.000 0.863 75 Q CB 0.057 28.944 28.738 0.249 0.000 0.904 75 Q HN 0.835 nan 8.270 nan 0.000 0.422 76 S N -0.383 115.473 115.700 0.260 0.000 2.474 76 S HA -0.106 4.373 4.470 0.014 0.000 0.235 76 S C 1.110 175.779 174.600 0.115 0.000 0.997 76 S CA 1.073 59.388 58.200 0.192 0.000 0.949 76 S CB 0.025 63.314 63.200 0.149 0.000 0.766 76 S HN 0.356 nan 8.310 nan 0.000 0.517 77 D N 1.629 122.099 120.400 0.116 0.000 2.347 77 D HA 0.100 4.748 4.640 0.014 0.000 0.213 77 D C 1.585 177.867 176.300 -0.029 0.000 0.985 77 D CA 0.498 54.529 54.000 0.053 0.000 0.879 77 D CB 0.035 40.892 40.800 0.095 0.000 0.919 77 D HN 0.538 nan 8.370 nan 0.000 0.526 78 R N -0.206 120.249 120.500 -0.075 0.000 2.437 78 R HA 0.140 4.489 4.340 0.014 0.000 0.257 78 R C 1.409 177.351 176.300 -0.596 0.000 0.927 78 R CA -0.397 55.521 56.100 -0.303 0.000 1.078 78 R CB 0.403 30.526 30.300 -0.295 0.000 1.161 78 R HN -0.051 nan 8.270 nan 0.000 0.529 79 L N 1.797 122.844 121.223 -0.294 0.000 2.085 79 L HA -0.285 4.063 4.340 0.014 0.000 0.218 79 L C 1.793 178.485 176.870 -0.297 0.000 1.080 79 L CA 1.972 56.684 54.840 -0.213 0.000 0.776 79 L CB -0.796 41.259 42.059 -0.007 0.000 0.891 79 L HN 0.169 nan 8.230 nan 0.000 0.437 80 D N -1.524 118.723 120.400 -0.257 0.000 2.178 80 D HA -0.153 4.496 4.640 0.014 0.000 0.202 80 D C 2.109 178.263 176.300 -0.243 0.000 0.974 80 D CA 0.540 54.423 54.000 -0.195 0.000 0.841 80 D CB 0.120 40.839 40.800 -0.135 0.000 0.953 80 D HN 0.088 nan 8.370 nan 0.000 0.478 81 L N 0.185 121.177 121.223 -0.385 0.000 2.079 81 L HA -0.177 4.171 4.340 0.014 0.000 0.210 81 L C 1.958 178.662 176.870 -0.276 0.000 1.081 81 L CA 1.408 56.034 54.840 -0.358 0.000 0.752 81 L CB -1.362 40.430 42.059 -0.445 0.000 0.896 81 L HN 0.234 nan 8.230 nan 0.000 0.433 82 Y N -1.181 119.032 120.300 -0.144 0.000 2.220 82 Y HA -0.088 4.470 4.550 0.013 0.000 0.291 82 Y C 2.734 178.535 175.900 -0.165 0.000 1.129 82 Y CA 0.497 58.488 58.100 -0.182 0.000 1.161 82 Y CB -0.852 37.469 38.460 -0.232 0.000 0.997 82 Y HN 0.067 nan 8.280 nan 0.000 0.522 83 R N 1.119 121.598 120.500 -0.034 0.000 2.091 83 R HA -0.197 4.151 4.340 0.014 0.000 0.238 83 R C 1.861 178.128 176.300 -0.054 0.000 1.136 83 R CA 1.834 57.904 56.100 -0.050 0.000 0.959 83 R CB -0.373 29.892 30.300 -0.059 0.000 0.856 83 R HN 0.512 nan 8.270 nan 0.000 0.437 84 Q N -0.742 119.015 119.800 -0.072 0.000 2.046 84 Q HA -0.047 4.302 4.340 0.014 0.000 0.200 84 Q C 2.146 178.111 176.000 -0.058 0.000 0.975 84 Q CA 1.639 57.404 55.803 -0.064 0.000 0.836 84 Q CB -0.131 28.560 28.738 -0.078 0.000 0.896 84 Q HN 0.398 nan 8.270 nan 0.000 0.428 85 A N 0.876 123.656 122.820 -0.066 0.000 1.877 85 A HA -0.186 4.142 4.320 0.014 0.000 0.216 85 A C 2.026 179.563 177.584 -0.079 0.000 1.186 85 A CA 1.267 53.259 52.037 -0.074 0.000 0.620 85 A CB -0.665 18.284 19.000 -0.086 0.000 0.822 85 A HN 0.316 nan 8.150 nan 0.000 0.443 86 I N -0.946 119.575 120.570 -0.081 0.000 2.315 86 I HA -0.251 3.927 4.170 0.014 0.000 0.248 86 I C 2.719 178.796 176.117 -0.066 0.000 1.117 86 I CA 1.646 62.892 61.300 -0.090 0.000 1.404 86 I CB -0.236 37.705 38.000 -0.097 0.000 1.071 86 I HN 0.376 nan 8.210 nan 0.000 0.419 87 Q N 0.775 120.548 119.800 -0.046 0.000 2.119 87 Q HA -0.160 4.189 4.340 0.014 0.000 0.201 87 Q C 2.102 178.091 176.000 -0.018 0.000 0.972 87 Q CA 2.147 57.935 55.803 -0.025 0.000 0.847 87 Q CB -0.402 28.329 28.738 -0.013 0.000 0.903 87 Q HN 0.375 nan 8.270 nan 0.000 0.433 88 T N 0.681 115.222 114.554 -0.023 0.000 2.833 88 T HA -0.087 4.271 4.350 0.014 0.000 0.269 88 T C 1.590 176.290 174.700 0.000 0.000 1.054 88 T CA 1.244 63.337 62.100 -0.012 0.000 1.135 88 T CB -0.149 68.707 68.868 -0.019 0.000 0.869 88 T HN 0.230 nan 8.240 nan 0.000 0.466 89 L N 0.062 121.280 121.223 -0.008 0.000 2.109 89 L HA 0.054 4.403 4.340 0.014 0.000 0.207 89 L C 2.403 179.284 176.870 0.019 0.000 1.086 89 L CA 0.856 55.712 54.840 0.027 0.000 0.760 89 L CB -0.513 41.568 42.059 0.037 0.000 0.910 89 L HN 0.241 nan 8.230 nan 0.000 0.437 90 L N -0.396 120.811 121.223 -0.026 0.000 2.017 90 L HA -0.221 4.127 4.340 0.014 0.000 0.208 90 L C 2.251 179.123 176.870 0.004 0.000 1.073 90 L CA 1.137 55.947 54.840 -0.050 0.000 0.745 90 L CB -0.590 41.405 42.059 -0.108 0.000 0.894 90 L HN 0.247 nan 8.230 nan 0.000 0.432 91 D N 0.284 120.693 120.400 0.015 0.000 2.149 91 D HA -0.174 4.474 4.640 0.014 0.000 0.198 91 D C 2.041 178.361 176.300 0.034 0.000 0.990 91 D CA 1.256 55.274 54.000 0.030 0.000 0.839 91 D CB -0.086 40.729 40.800 0.024 0.000 0.948 91 D HN 0.243 nan 8.370 nan 0.000 0.460 92 K N -0.391 120.029 120.400 0.034 0.000 2.486 92 K HA 0.101 4.430 4.320 0.014 0.000 0.194 92 K C 1.087 177.715 176.600 0.047 0.000 1.033 92 K CA 0.502 56.813 56.287 0.040 0.000 1.004 92 K CB 0.267 32.794 32.500 0.044 0.000 0.798 92 K HN 0.160 nan 8.250 nan 0.000 0.495 93 G N 1.507 110.337 108.800 0.050 0.000 2.179 93 G HA2 -0.262 3.706 3.960 0.014 0.000 0.257 93 G HA3 -0.262 3.706 3.960 0.014 0.000 0.257 93 G C 0.525 175.462 174.900 0.062 0.000 1.010 93 G CA 0.207 45.342 45.100 0.059 0.000 0.736 93 G HN 0.294 nan 8.290 nan 0.000 0.513 94 L N -0.808 120.457 121.223 0.069 0.000 2.567 94 L HA 0.569 4.918 4.340 0.014 0.000 0.225 94 L C 1.402 178.339 176.870 0.111 0.000 1.119 94 L CA 0.773 55.655 54.840 0.071 0.000 0.871 94 L CB -0.018 42.118 42.059 0.129 0.000 1.036 94 L HN 0.548 nan 8.230 nan 0.000 0.459 95 A N -0.480 122.407 122.820 0.112 0.000 2.515 95 A HA 0.741 5.070 4.320 0.014 0.000 0.296 95 A C -1.467 176.143 177.584 0.042 0.000 1.094 95 A CA -0.413 51.662 52.037 0.063 0.000 0.718 95 A CB 1.475 20.472 19.000 -0.006 0.000 1.307 95 A HN 0.178 nan 8.150 nan 0.000 0.408 96 Y N -2.152 118.037 120.300 -0.184 0.000 2.744 96 Y HA 0.745 5.303 4.550 0.014 0.000 0.330 96 Y C -1.759 173.960 175.900 -0.302 0.000 1.263 96 Y CA -1.749 56.204 58.100 -0.244 0.000 1.065 96 Y CB 0.643 39.061 38.460 -0.070 0.000 1.306 96 Y HN 0.519 nan 8.280 nan 0.000 0.459 97 Y N 1.080 121.501 120.300 0.201 0.000 2.350 97 Y HA 0.463 5.022 4.550 0.014 0.000 0.340 97 Y C 0.120 176.065 175.900 0.074 0.000 1.006 97 Y CA -0.812 57.274 58.100 -0.024 0.000 1.166 97 Y CB 1.271 39.701 38.460 -0.050 0.000 1.168 97 Y HN 0.871 nan 8.280 nan 0.000 0.502 98 C N 5.374 124.671 119.300 -0.005 0.000 2.303 98 C HA 0.412 4.881 4.460 0.014 0.000 0.326 98 C C 0.220 175.184 174.990 -0.044 0.000 1.285 98 C CA -0.678 58.436 59.018 0.161 0.000 1.675 98 C CB -1.039 26.661 27.740 -0.066 0.000 2.289 98 C HN 0.915 nan 8.230 nan 0.000 0.512 99 Y N 2.872 123.329 120.300 0.261 0.000 2.555 99 Y HA 0.255 4.812 4.550 0.011 0.000 0.259 99 Y C 1.600 177.421 175.900 -0.133 0.000 1.179 99 Y CA -0.302 57.715 58.100 -0.139 0.000 1.230 99 Y CB -0.031 38.000 38.460 -0.714 0.000 1.146 99 Y HN 0.715 nan 8.280 nan 0.000 0.526 100 C N 3.222 122.581 119.300 0.099 0.000 2.624 100 C HA 0.279 4.748 4.460 0.014 0.000 0.397 100 C C 1.296 176.272 174.990 -0.023 0.000 1.331 100 C CA -0.409 58.605 59.018 -0.006 0.000 1.716 100 C CB -1.395 26.300 27.740 -0.075 0.000 2.452 100 C HN 0.578 nan 8.230 nan 0.000 0.586 101 T N 4.982 119.537 114.554 0.002 0.000 2.860 101 T HA 0.235 4.593 4.350 0.014 0.000 0.299 101 T C -1.569 173.132 174.700 0.001 0.000 1.045 101 T CA -0.966 61.137 62.100 0.004 0.000 1.071 101 T CB 0.798 69.682 68.868 0.026 0.000 0.985 101 T HN 0.542 nan 8.240 nan 0.000 0.537 102 P HA -0.042 nan 4.420 nan 0.000 0.218 102 P C 1.369 178.677 177.300 0.014 0.000 1.149 102 P CA 0.956 64.056 63.100 -0.001 0.000 0.817 102 P CB 0.050 31.748 31.700 -0.004 0.000 0.785 103 E N 0.314 120.526 120.200 0.020 0.000 2.150 103 E HA -0.200 4.159 4.350 0.014 0.000 0.193 103 E C 1.723 178.343 176.600 0.034 0.000 0.985 103 E CA 0.950 57.366 56.400 0.026 0.000 0.814 103 E CB -0.198 29.520 29.700 0.029 0.000 0.752 103 E HN 0.248 nan 8.360 nan 0.000 0.466 104 E N 0.270 120.493 120.200 0.039 0.000 2.106 104 E HA -0.131 4.227 4.350 0.014 0.000 0.192 104 E C 2.183 178.813 176.600 0.050 0.000 0.984 104 E CA 0.801 57.230 56.400 0.049 0.000 0.806 104 E CB 0.058 29.793 29.700 0.058 0.000 0.750 104 E HN 0.324 nan 8.360 nan 0.000 0.458 105 L N 0.813 122.064 121.223 0.047 0.000 2.056 105 L HA -0.174 4.174 4.340 0.014 0.000 0.207 105 L C 2.656 179.556 176.870 0.049 0.000 1.078 105 L CA 1.146 56.022 54.840 0.060 0.000 0.749 105 L CB -0.353 41.730 42.059 0.040 0.000 0.901 105 L HN 0.188 nan 8.230 nan 0.000 0.433 106 E N 0.508 120.730 120.200 0.035 0.000 2.085 106 E HA -0.262 4.097 4.350 0.014 0.000 0.194 106 E C 2.183 178.802 176.600 0.031 0.000 0.994 106 E CA 1.341 57.760 56.400 0.030 0.000 0.801 106 E CB 0.032 29.747 29.700 0.024 0.000 0.743 106 E HN 0.462 nan 8.360 nan 0.000 0.453 107 A N 1.088 123.928 122.820 0.033 0.000 1.930 107 A HA -0.148 4.181 4.320 0.014 0.000 0.217 107 A C 2.121 179.724 177.584 0.031 0.000 1.175 107 A CA 1.203 53.259 52.037 0.032 0.000 0.627 107 A CB -0.610 18.411 19.000 0.035 0.000 0.815 107 A HN 0.383 nan 8.150 nan 0.000 0.443 108 L N 0.217 121.462 121.223 0.036 0.000 1.989 108 L HA -0.157 4.192 4.340 0.014 0.000 0.211 108 L C 2.428 179.316 176.870 0.030 0.000 1.071 108 L CA 2.675 57.534 54.840 0.032 0.000 0.749 108 L CB -0.720 41.364 42.059 0.041 0.000 0.890 108 L HN 0.480 nan 8.230 nan 0.000 0.431 109 R N -0.587 119.935 120.500 0.037 0.000 2.096 109 R HA -0.118 4.231 4.340 0.014 0.000 0.235 109 R C 2.099 178.415 176.300 0.027 0.000 1.127 109 R CA 1.344 57.465 56.100 0.035 0.000 0.968 109 R CB -0.382 29.941 30.300 0.039 0.000 0.861 109 R HN 0.529 nan 8.270 nan 0.000 0.440 110 A N 0.449 123.284 122.820 0.025 0.000 1.930 110 A HA -0.147 4.181 4.320 0.014 0.000 0.217 110 A C 1.965 179.560 177.584 0.018 0.000 1.175 110 A CA 1.520 53.570 52.037 0.021 0.000 0.627 110 A CB -0.382 18.630 19.000 0.021 0.000 0.815 110 A HN 0.425 nan 8.150 nan 0.000 0.443 111 E N -0.080 120.132 120.200 0.019 0.000 2.152 111 E HA -0.143 4.215 4.350 0.014 0.000 0.192 111 E C 2.139 178.747 176.600 0.014 0.000 0.983 111 E CA 1.311 57.721 56.400 0.016 0.000 0.818 111 E CB -0.218 29.492 29.700 0.016 0.000 0.758 111 E HN 0.720 nan 8.360 nan 0.000 0.467 112 Q N -0.071 119.738 119.800 0.015 0.000 2.050 112 Q HA -0.139 4.210 4.340 0.014 0.000 0.202 112 Q C 2.088 178.096 176.000 0.014 0.000 0.980 112 Q CA 1.547 57.358 55.803 0.014 0.000 0.840 112 Q CB -0.046 28.703 28.738 0.018 0.000 0.898 112 Q HN 0.118 nan 8.270 nan 0.000 0.424 113 K N 0.187 120.597 120.400 0.016 0.000 2.057 113 K HA -0.133 4.195 4.320 0.014 0.000 0.207 113 K C 2.056 178.663 176.600 0.012 0.000 1.049 113 K CA 1.162 57.458 56.287 0.014 0.000 0.931 113 K CB -0.175 32.334 32.500 0.016 0.000 0.714 113 K HN 0.158 nan 8.250 nan 0.000 0.440 114 A N 1.428 124.255 122.820 0.012 0.000 1.972 114 A HA -0.174 4.154 4.320 0.014 0.000 0.219 114 A C 1.687 179.276 177.584 0.008 0.000 1.169 114 A CA 1.498 53.541 52.037 0.010 0.000 0.635 114 A CB -0.164 18.842 19.000 0.011 0.000 0.810 114 A HN 0.187 nan 8.150 nan 0.000 0.446 115 K N -1.626 118.779 120.400 0.008 0.000 2.393 115 K HA 0.236 4.564 4.320 0.014 0.000 0.193 115 K C 0.872 177.475 176.600 0.005 0.000 1.026 115 K CA 0.425 56.715 56.287 0.006 0.000 1.064 115 K CB 0.087 32.590 32.500 0.006 0.000 0.833 115 K HN 0.610 nan 8.250 nan 0.000 0.521 116 G N 2.547 111.351 108.800 0.006 0.000 2.246 116 G HA2 -0.297 3.671 3.960 0.014 0.000 0.273 116 G HA3 -0.297 3.671 3.960 0.014 0.000 0.273 116 G C -0.420 174.483 174.900 0.005 0.000 1.055 116 G CA 0.183 45.286 45.100 0.005 0.000 0.851 116 G HN 0.341 nan 8.290 nan 0.000 0.500 117 Q N -0.459 119.345 119.800 0.007 0.000 2.222 117 Q HA 0.668 5.017 4.340 0.014 0.000 0.252 117 Q C 0.710 176.717 176.000 0.012 0.000 0.926 117 Q CA -0.257 55.550 55.803 0.007 0.000 0.899 117 Q CB 1.512 30.254 28.738 0.006 0.000 1.250 117 Q HN 0.825 nan 8.270 nan 0.000 0.441 118 A N 3.732 126.560 122.820 0.013 0.000 2.566 118 A HA 0.123 4.452 4.320 0.014 0.000 0.245 118 A C -2.015 175.586 177.584 0.030 0.000 1.056 118 A CA -0.791 51.259 52.037 0.022 0.000 0.757 118 A CB -0.560 18.456 19.000 0.025 0.000 0.979 118 A HN 0.407 nan 8.150 nan 0.000 0.508 119 P HA 0.261 nan 4.420 nan 0.000 0.269 119 P C -0.542 176.795 177.300 0.062 0.000 1.252 119 P CA 0.303 63.430 63.100 0.045 0.000 0.780 119 P CB 0.081 31.808 31.700 0.045 0.000 0.829 120 R N 2.289 122.827 120.500 0.064 0.000 2.728 120 R HA 0.356 4.704 4.340 0.014 0.000 0.274 120 R C -1.557 174.809 176.300 0.110 0.000 1.032 120 R CA -1.075 55.079 56.100 0.089 0.000 0.866 120 R CB 0.345 30.689 30.300 0.074 0.000 1.263 120 R HN 0.156 nan 8.270 nan 0.000 0.475 121 Y N 2.552 122.862 120.300 0.017 0.000 2.377 121 Y HA 0.130 4.687 4.550 0.012 0.000 0.330 121 Y C 0.546 176.453 175.900 0.013 0.000 1.108 121 Y CA -0.146 57.958 58.100 0.006 0.000 1.308 121 Y CB 1.119 39.580 38.460 0.001 0.000 1.216 121 Y HN 0.831 nan 8.280 nan 0.000 0.518 122 D N 2.865 122.882 120.400 -0.638 0.000 2.319 122 D HA -0.062 4.586 4.640 0.014 0.000 0.230 122 D C -0.223 175.743 176.300 -0.556 0.000 1.094 122 D CA 0.341 54.068 54.000 -0.455 0.000 0.856 122 D CB -0.521 40.116 40.800 -0.271 0.000 0.915 122 D HN 0.662 nan 8.370 nan 0.000 0.517 123 N N 0.663 118.784 118.700 -0.965 0.000 2.741 123 N HA -0.261 4.487 4.740 0.014 0.000 0.251 123 N C 1.011 176.353 175.510 -0.280 0.000 1.112 123 N CA 1.096 53.894 53.050 -0.421 0.000 0.750 123 N CB -1.611 36.800 38.487 -0.128 0.000 1.119 123 N HN 0.692 nan 8.380 nan 0.000 0.561 124 R N -0.405 119.855 120.500 -0.399 0.000 2.200 124 R HA -0.085 4.264 4.340 0.014 0.000 0.234 124 R C 0.709 177.139 176.300 0.217 0.000 1.127 124 R CA 1.573 57.621 56.100 -0.087 0.000 0.989 124 R CB -0.503 29.725 30.300 -0.121 0.000 0.869 124 R HN 0.590 nan 8.270 nan 0.000 0.459 125 H N -0.350 118.831 119.070 0.185 0.000 2.505 125 H HA 0.310 4.874 4.556 0.013 0.000 0.286 125 H C 1.213 176.422 175.328 -0.198 0.000 1.072 125 H CA -0.662 55.519 56.048 0.221 0.000 1.141 125 H CB 0.506 30.554 29.762 0.477 0.000 1.550 125 H HN 0.167 nan 8.280 nan 0.000 0.547 126 R N 0.308 120.469 120.500 -0.565 0.000 2.091 126 R HA -0.105 4.243 4.340 0.014 0.000 0.238 126 R C 0.125 175.885 176.300 -0.899 0.000 1.136 126 R CA 1.293 56.599 56.100 -1.322 0.000 0.959 126 R CB 0.003 29.569 30.300 -1.223 0.000 0.856 126 R HN 0.506 nan 8.270 nan 0.000 0.437 127 H N -0.713 118.273 119.070 -0.141 0.000 2.471 127 H HA 0.282 4.844 4.556 0.010 0.000 0.234 127 H C -0.812 174.528 175.328 0.021 0.000 1.388 127 H CA -0.473 55.548 56.048 -0.046 0.000 1.198 127 H CB 0.403 30.138 29.762 -0.045 0.000 1.714 127 H HN -0.066 nan 8.280 nan 0.000 0.536 128 L N 1.845 123.148 121.223 0.133 0.000 2.397 128 L HA 0.205 4.553 4.340 0.014 0.000 0.271 128 L C 0.833 177.761 176.870 0.098 0.000 1.148 128 L CA -0.422 54.493 54.840 0.124 0.000 0.825 128 L CB 0.936 43.092 42.059 0.161 0.000 1.117 128 L HN 0.448 nan 8.230 nan 0.000 0.456 129 T N -0.871 113.710 114.554 0.045 0.000 2.909 129 T HA 0.237 4.595 4.350 0.014 0.000 0.289 129 T C -1.890 172.814 174.700 0.007 0.000 1.005 129 T CA -1.870 60.245 62.100 0.024 0.000 1.084 129 T CB 1.443 70.307 68.868 -0.006 0.000 0.975 129 T HN 0.333 nan 8.240 nan 0.000 0.509 130 P HA -0.170 nan 4.420 nan 0.000 0.218 130 P C 1.186 178.461 177.300 -0.041 0.000 1.152 130 P CA 1.241 64.345 63.100 0.006 0.000 0.857 130 P CB 0.076 31.783 31.700 0.012 0.000 0.787 131 E N -0.360 119.806 120.200 -0.057 0.000 2.051 131 E HA -0.187 4.172 4.350 0.014 0.000 0.192 131 E C 1.980 178.478 176.600 -0.169 0.000 0.991 131 E CA 1.275 57.618 56.400 -0.095 0.000 0.799 131 E CB -0.771 28.881 29.700 -0.080 0.000 0.748 131 E HN 0.420 nan 8.360 nan 0.000 0.449 132 E N 0.604 120.689 120.200 -0.190 0.000 2.051 132 E HA -0.229 4.129 4.350 0.014 0.000 0.192 132 E C 2.209 178.535 176.600 -0.457 0.000 0.991 132 E CA 1.228 57.417 56.400 -0.352 0.000 0.799 132 E CB -0.136 29.415 29.700 -0.249 0.000 0.748 132 E HN 0.326 nan 8.360 nan 0.000 0.449 133 Q N 0.349 120.004 119.800 -0.242 0.000 2.061 133 Q HA -0.188 4.160 4.340 0.014 0.000 0.204 133 Q C 2.275 178.094 176.000 -0.301 0.000 0.984 133 Q CA 1.525 57.150 55.803 -0.297 0.000 0.846 133 Q CB -0.266 28.448 28.738 -0.040 0.000 0.902 133 Q HN 0.251 nan 8.270 nan 0.000 0.421 134 A N 1.027 123.735 122.820 -0.186 0.000 1.969 134 A HA -0.058 4.270 4.320 0.014 0.000 0.218 134 A C 2.290 179.782 177.584 -0.153 0.000 1.169 134 A CA 1.418 53.377 52.037 -0.129 0.000 0.635 134 A CB -0.666 18.282 19.000 -0.087 0.000 0.810 134 A HN 0.397 nan 8.150 nan 0.000 0.445 135 A N -0.718 121.954 122.820 -0.247 0.000 1.873 135 A HA 0.045 4.373 4.320 0.014 0.000 0.215 135 A C 1.889 179.342 177.584 -0.217 0.000 1.186 135 A CA 1.514 53.392 52.037 -0.264 0.000 0.616 135 A CB -0.741 18.029 19.000 -0.383 0.000 0.823 135 A HN 0.418 nan 8.150 nan 0.000 0.442 136 F N 0.414 120.211 119.950 -0.256 0.000 2.095 136 F HA -0.145 4.388 4.527 0.011 0.000 0.298 136 F C 2.424 178.138 175.800 -0.142 0.000 1.104 136 F CA 1.637 59.483 58.000 -0.256 0.000 1.232 136 F CB -0.968 37.679 39.000 -0.589 0.000 0.987 136 F HN 0.325 nan 8.300 nan 0.000 0.475 137 E N -0.108 120.103 120.200 0.020 0.000 2.118 137 E HA -0.211 4.147 4.350 0.014 0.000 0.195 137 E C 2.341 178.967 176.600 0.044 0.000 0.992 137 E CA 1.152 57.591 56.400 0.065 0.000 0.804 137 E CB -0.384 29.341 29.700 0.043 0.000 0.741 137 E HN 0.368 nan 8.360 nan 0.000 0.458 138 A N 1.068 123.893 122.820 0.008 0.000 2.014 138 A HA 0.042 4.371 4.320 0.014 0.000 0.218 138 A C 2.200 179.796 177.584 0.021 0.000 1.163 138 A CA 1.222 53.261 52.037 0.004 0.000 0.652 138 A CB -0.225 18.762 19.000 -0.021 0.000 0.808 138 A HN 0.252 nan 8.150 nan 0.000 0.449 139 A N -1.538 121.307 122.820 0.041 0.000 2.259 139 A HA 0.420 4.748 4.320 0.014 0.000 0.208 139 A C 1.659 179.288 177.584 0.074 0.000 1.201 139 A CA 1.068 53.141 52.037 0.060 0.000 0.824 139 A CB -1.011 18.041 19.000 0.086 0.000 0.838 139 A HN 1.810 nan 8.150 nan 0.000 0.485 140 G N -0.665 108.180 108.800 0.073 0.000 2.136 140 G HA2 -0.248 3.721 3.960 0.014 0.000 0.242 140 G HA3 -0.248 3.721 3.960 0.014 0.000 0.242 140 G C 0.249 175.206 174.900 0.095 0.000 0.989 140 G CA 0.185 45.328 45.100 0.072 0.000 0.682 140 G HN 0.619 nan 8.290 nan 0.000 0.522 141 R N 0.634 121.219 120.500 0.142 0.000 2.490 141 R HA 0.555 4.904 4.340 0.014 0.000 0.278 141 R C 0.284 176.716 176.300 0.220 0.000 1.069 141 R CA 0.682 56.892 56.100 0.183 0.000 1.080 141 R CB 0.724 31.175 30.300 0.252 0.000 1.030 141 R HN 0.387 nan 8.270 nan 0.000 0.491 142 T N 0.230 114.868 114.554 0.141 0.000 2.886 142 T HA 0.483 4.841 4.350 0.014 0.000 0.292 142 T C -2.583 172.059 174.700 -0.098 0.000 1.012 142 T CA -2.052 60.086 62.100 0.063 0.000 0.982 142 T CB 2.197 71.079 68.868 0.022 0.000 1.018 142 T HN 0.341 nan 8.240 nan 0.000 0.451 143 P HA 0.505 nan 4.420 nan 0.000 0.282 143 P C 0.011 177.181 177.300 -0.217 0.000 1.259 143 P CA -0.680 62.093 63.100 -0.544 0.000 0.826 143 P CB 1.293 32.344 31.700 -1.081 0.000 1.064 144 V N -0.525 119.271 119.914 -0.197 0.000 3.262 144 V HA 0.563 4.692 4.120 0.014 0.000 0.313 144 V C 0.063 176.057 176.094 -0.167 0.000 1.070 144 V CA -0.871 61.341 62.300 -0.147 0.000 1.049 144 V CB 0.601 32.322 31.823 -0.170 0.000 1.157 144 V HN 0.307 nan 8.190 nan 0.000 0.454 145 I N 1.519 121.967 120.570 -0.203 0.000 2.389 145 I HA 0.570 4.748 4.170 0.014 0.000 0.288 145 I C 0.178 176.073 176.117 -0.370 0.000 0.999 145 I CA -0.418 60.695 61.300 -0.312 0.000 1.129 145 I CB 1.505 39.346 38.000 -0.266 0.000 1.288 145 I HN 0.639 nan 8.210 nan 0.000 0.444 146 R N 4.740 124.877 120.500 -0.605 0.000 2.589 146 R HA 0.483 4.832 4.340 0.014 0.000 0.293 146 R C -1.147 174.927 176.300 -0.378 0.000 0.963 146 R CA -0.816 54.950 56.100 -0.558 0.000 0.905 146 R CB 2.403 32.249 30.300 -0.756 0.000 1.144 146 R HN 0.403 nan 8.270 nan 0.000 0.459 147 F N 2.513 122.306 119.950 -0.260 0.000 2.410 147 F HA 0.316 4.851 4.527 0.015 0.000 0.349 147 F C -0.204 175.603 175.800 0.012 0.000 1.117 147 F CA -0.707 57.225 58.000 -0.113 0.000 1.104 147 F CB 0.871 39.804 39.000 -0.112 0.000 1.122 147 F HN 0.213 nan 8.300 nan 0.000 0.483 148 K N 7.156 127.276 120.400 -0.467 0.000 2.368 148 K HA 0.407 4.736 4.320 0.014 0.000 0.282 148 K C -0.843 175.407 176.600 -0.584 0.000 1.035 148 K CA 0.031 56.133 56.287 -0.310 0.000 0.973 148 K CB 0.885 33.288 32.500 -0.162 0.000 0.957 148 K HN 0.613 nan 8.250 nan 0.000 0.474 149 I N 2.259 122.683 120.570 -0.244 0.000 2.465 149 I HA 0.085 4.263 4.170 0.014 0.000 0.291 149 I C -0.169 175.909 176.117 -0.065 0.000 1.014 149 I CA -0.965 60.240 61.300 -0.158 0.000 1.093 149 I CB 1.935 39.919 38.000 -0.027 0.000 1.267 149 I HN 0.517 nan 8.210 nan 0.000 0.431 150 E N 4.743 124.915 120.200 -0.046 0.000 2.257 150 E HA 0.033 4.391 4.350 0.014 0.000 0.278 150 E C 0.433 177.046 176.600 0.022 0.000 1.049 150 E CA 0.150 56.546 56.400 -0.008 0.000 0.876 150 E CB 0.641 30.341 29.700 -0.000 0.000 1.035 150 E HN 0.420 nan 8.360 nan 0.000 0.419 151 D N 3.300 123.714 120.400 0.024 0.000 2.157 151 D HA -0.199 4.449 4.640 0.014 0.000 0.191 151 D C 0.182 176.508 176.300 0.043 0.000 1.004 151 D CA 1.497 55.518 54.000 0.035 0.000 0.854 151 D CB 0.158 40.972 40.800 0.024 0.000 0.936 151 D HN 0.557 nan 8.370 nan 0.000 0.446 152 D N -0.132 120.289 120.400 0.035 0.000 2.336 152 D HA -0.000 4.648 4.640 0.014 0.000 0.228 152 D C 0.426 176.753 176.300 0.045 0.000 1.120 152 D CA -0.094 53.928 54.000 0.036 0.000 0.839 152 D CB 0.052 40.867 40.800 0.025 0.000 0.932 152 D HN 0.038 nan 8.370 nan 0.000 0.509 153 R N 1.501 122.034 120.500 0.056 0.000 2.298 153 R HA 0.120 4.469 4.340 0.014 0.000 0.310 153 R C -0.281 176.073 176.300 0.090 0.000 1.068 153 R CA -0.120 56.020 56.100 0.067 0.000 0.957 153 R CB 0.245 30.584 30.300 0.065 0.000 1.003 153 R HN -0.123 nan 8.270 nan 0.000 0.454 154 Q N 4.568 124.420 119.800 0.085 0.000 2.369 154 Q HA 0.250 4.599 4.340 0.014 0.000 0.247 154 Q C -0.541 175.537 176.000 0.132 0.000 1.083 154 Q CA 0.022 55.885 55.803 0.101 0.000 0.905 154 Q CB 0.787 29.569 28.738 0.073 0.000 1.305 154 Q HN 0.553 nan 8.270 nan 0.000 0.465 155 I N 2.194 122.875 120.570 0.185 0.000 2.336 155 I HA 0.279 4.457 4.170 0.014 0.000 0.292 155 I C 0.041 176.333 176.117 0.291 0.000 0.991 155 I CA -0.112 61.324 61.300 0.227 0.000 1.227 155 I CB 1.221 39.361 38.000 0.233 0.000 1.366 155 I HN 0.516 nan 8.210 nan 0.000 0.466 156 E N 5.817 126.190 120.200 0.289 0.000 2.366 156 E HA 0.557 4.915 4.350 0.014 0.000 0.278 156 E C -2.040 174.798 176.600 0.396 0.000 0.923 156 E CA -0.818 55.745 56.400 0.272 0.000 0.761 156 E CB 2.284 32.065 29.700 0.136 0.000 1.231 156 E HN 0.548 nan 8.360 nan 0.000 0.443 157 W N 2.233 123.583 121.300 0.083 0.000 3.296 157 W HA 0.394 5.062 4.660 0.014 0.000 0.314 157 W C -1.455 175.112 176.519 0.079 0.000 1.238 157 W CA -0.742 56.659 57.345 0.092 0.000 1.193 157 W CB 0.811 30.362 29.460 0.152 0.000 1.383 157 W HN 0.147 nan 8.180 nan 0.000 0.545 158 Q N 3.737 123.628 119.800 0.152 0.000 2.452 158 Q HA 0.059 4.407 4.340 0.014 0.000 0.230 158 Q C -0.341 175.732 176.000 0.121 0.000 1.180 158 Q CA 0.340 56.165 55.803 0.037 0.000 0.914 158 Q CB 0.337 29.113 28.738 0.063 0.000 1.408 158 Q HN 0.539 nan 8.270 nan 0.000 0.520 159 D N 2.204 122.575 120.400 -0.048 0.000 2.389 159 D HA -0.000 4.648 4.640 0.014 0.000 0.247 159 D C 0.993 177.326 176.300 0.056 0.000 1.128 159 D CA -0.099 53.996 54.000 0.158 0.000 0.884 159 D CB 1.090 41.933 40.800 0.073 0.000 1.194 159 D HN 0.448 nan 8.370 nan 0.000 0.441 160 L N 3.125 124.351 121.223 0.006 0.000 2.291 160 L HA -0.111 4.238 4.340 0.014 0.000 0.214 160 L C 1.959 178.778 176.870 -0.085 0.000 1.120 160 L CA 0.358 55.123 54.840 -0.125 0.000 0.799 160 L CB 0.017 41.818 42.059 -0.430 0.000 0.925 160 L HN 0.339 nan 8.230 nan 0.000 0.446 161 V N -1.383 118.492 119.914 -0.064 0.000 2.806 161 V HA 0.033 4.161 4.120 0.014 0.000 0.239 161 V C 2.343 178.445 176.094 0.014 0.000 1.113 161 V CA 0.567 62.870 62.300 0.005 0.000 1.137 161 V CB -0.171 31.671 31.823 0.032 0.000 0.865 161 V HN 0.278 nan 8.190 nan 0.000 0.482 162 R N 0.858 121.365 120.500 0.011 0.000 2.119 162 R HA 0.291 4.639 4.340 0.014 0.000 0.222 162 R C 1.211 177.466 176.300 -0.075 0.000 1.088 162 R CA 1.015 57.097 56.100 -0.030 0.000 0.984 162 R CB -0.461 29.804 30.300 -0.058 0.000 0.884 162 R HN 0.591 nan 8.270 nan 0.000 0.447 163 G N 1.172 109.920 108.800 -0.087 0.000 2.548 163 G HA2 -0.288 3.681 3.960 0.014 0.000 0.208 163 G HA3 -0.288 3.681 3.960 0.014 0.000 0.208 163 G C -0.852 173.932 174.900 -0.193 0.000 1.308 163 G CA -0.238 44.801 45.100 -0.102 0.000 0.924 163 G HN 0.316 nan 8.290 nan 0.000 0.540 164 R N -0.576 119.823 120.500 -0.168 0.000 2.504 164 R HA 0.370 4.719 4.340 0.014 0.000 0.291 164 R C -0.145 175.962 176.300 -0.320 0.000 0.974 164 R CA 0.341 56.311 56.100 -0.216 0.000 1.077 164 R CB -0.016 30.209 30.300 -0.125 0.000 0.926 164 R HN 0.611 nan 8.270 nan 0.000 0.407 165 V N 3.889 123.478 119.914 -0.542 0.000 2.444 165 V HA 0.335 4.464 4.120 0.014 0.000 0.294 165 V C -0.734 175.157 176.094 -0.337 0.000 1.022 165 V CA -0.620 61.315 62.300 -0.609 0.000 0.850 165 V CB 2.088 33.152 31.823 -1.265 0.000 0.992 165 V HN 0.827 nan 8.190 nan 0.000 0.426 166 S N 3.759 119.396 115.700 -0.105 0.000 2.561 166 S HA 0.723 5.201 4.470 0.014 0.000 0.303 166 S C -1.463 173.181 174.600 0.073 0.000 1.110 166 S CA -0.646 57.584 58.200 0.050 0.000 1.034 166 S CB 1.297 64.478 63.200 -0.031 0.000 1.010 166 S HN 0.639 nan 8.310 nan 0.000 0.482 167 W N 1.488 122.810 121.300 0.038 0.000 2.844 167 W HA 0.536 5.204 4.660 0.013 0.000 0.340 167 W C 0.039 176.591 176.519 0.055 0.000 1.093 167 W CA -0.636 56.745 57.345 0.059 0.000 1.212 167 W CB 1.274 30.804 29.460 0.117 0.000 1.422 167 W HN 0.573 nan 8.180 nan 0.000 0.515 168 Q N 0.542 120.487 119.800 0.243 0.000 2.221 168 Q HA 0.414 4.762 4.340 0.014 0.000 0.242 168 Q C 1.316 177.449 176.000 0.222 0.000 0.940 168 Q CA 0.319 56.226 55.803 0.173 0.000 0.896 168 Q CB 1.495 30.288 28.738 0.092 0.000 1.226 168 Q HN 0.804 nan 8.270 nan 0.000 0.463 169 G N 1.139 110.032 108.800 0.154 0.000 2.443 169 G HA2 -0.206 3.762 3.960 0.014 0.000 0.219 169 G HA3 -0.206 3.762 3.960 0.014 0.000 0.219 169 G C 1.073 176.050 174.900 0.129 0.000 1.131 169 G CA 0.779 45.960 45.100 0.134 0.000 0.775 169 G HN 0.707 nan 8.290 nan 0.000 0.547 170 A N 0.771 123.659 122.820 0.112 0.000 2.119 170 A HA 0.061 4.389 4.320 0.014 0.000 0.217 170 A C 1.777 179.435 177.584 0.123 0.000 1.153 170 A CA 1.536 53.629 52.037 0.093 0.000 0.692 170 A CB -0.114 18.922 19.000 0.061 0.000 0.799 170 A HN 0.226 nan 8.150 nan 0.000 0.458 171 D N -0.174 120.336 120.400 0.183 0.000 2.363 171 D HA 0.045 4.694 4.640 0.014 0.000 0.226 171 D C 1.244 177.757 176.300 0.354 0.000 1.020 171 D CA 0.451 54.606 54.000 0.258 0.000 0.892 171 D CB 0.049 41.022 40.800 0.288 0.000 0.900 171 D HN 0.472 nan 8.370 nan 0.000 0.531 172 L N -0.831 120.541 121.223 0.248 0.000 2.592 172 L HA 0.237 4.585 4.340 0.014 0.000 0.227 172 L C 1.292 178.241 176.870 0.132 0.000 1.127 172 L CA 0.157 55.099 54.840 0.170 0.000 0.884 172 L CB -0.018 42.103 42.059 0.103 0.000 1.065 172 L HN 0.043 nan 8.230 nan 0.000 0.457 173 G N 0.274 109.157 108.800 0.139 0.000 2.137 173 G HA2 -0.066 3.902 3.960 0.014 0.000 0.237 173 G HA3 -0.066 3.902 3.960 0.014 0.000 0.237 173 G C 0.616 175.601 174.900 0.142 0.000 1.002 173 G CA 0.138 45.313 45.100 0.125 0.000 0.702 173 G HN 0.832 nan 8.290 nan 0.000 0.515 174 G N -0.800 108.083 108.800 0.138 0.000 2.757 174 G HA2 0.193 4.161 3.960 0.014 0.000 0.638 174 G HA3 0.193 4.161 3.960 0.014 0.000 0.638 174 G C -0.391 174.627 174.900 0.195 0.000 1.344 174 G CA 0.045 45.249 45.100 0.174 0.000 0.855 174 G HN 0.935 nan 8.290 nan 0.000 0.537 175 D N 1.213 121.774 120.400 0.268 0.000 2.520 175 D HA 0.330 4.978 4.640 0.014 0.000 0.243 175 D C 1.224 177.584 176.300 0.101 0.000 1.160 175 D CA 1.142 55.265 54.000 0.204 0.000 0.877 175 D CB 0.287 41.295 40.800 0.346 0.000 1.150 175 D HN 0.708 nan 8.370 nan 0.000 0.494 176 M N -0.396 119.246 119.600 0.071 0.000 2.277 176 M HA 0.382 4.871 4.480 0.014 0.000 0.350 176 M C -0.289 175.964 176.300 -0.078 0.000 1.180 176 M CA -1.047 54.254 55.300 0.002 0.000 1.103 176 M CB 1.031 33.653 32.600 0.036 0.000 1.577 176 M HN -0.146 nan 8.290 nan 0.000 0.459 177 V N 4.599 124.427 119.914 -0.143 0.000 2.540 177 V HA -0.023 4.105 4.120 0.014 0.000 0.297 177 V C 1.204 177.214 176.094 -0.141 0.000 1.024 177 V CA 0.319 62.514 62.300 -0.176 0.000 1.105 177 V CB -0.110 31.613 31.823 -0.167 0.000 0.938 177 V HN 1.010 nan 8.190 nan 0.000 0.482 178 I N 1.801 122.274 120.570 -0.161 0.000 4.323 178 I HA 0.676 4.855 4.170 0.014 0.000 0.328 178 I C 0.730 176.745 176.117 -0.170 0.000 1.310 178 I CA 0.147 61.341 61.300 -0.177 0.000 1.186 178 I CB 0.519 38.395 38.000 -0.206 0.000 1.130 178 I HN 0.523 nan 8.210 nan 0.000 0.411 179 A N 1.648 124.379 122.820 -0.148 0.000 2.422 179 A HA 0.701 5.029 4.320 0.014 0.000 0.302 179 A C -0.296 177.241 177.584 -0.079 0.000 1.041 179 A CA -0.764 51.206 52.037 -0.112 0.000 0.708 179 A CB 1.480 20.417 19.000 -0.105 0.000 1.257 179 A HN 0.072 nan 8.150 nan 0.000 0.414 180 R N 0.731 121.215 120.500 -0.028 0.000 2.863 180 R HA 0.397 4.746 4.340 0.014 0.000 0.273 180 R C 0.796 177.085 176.300 -0.018 0.000 1.057 180 R CA 0.387 56.482 56.100 -0.008 0.000 1.191 180 R CB 0.169 30.501 30.300 0.054 0.000 1.104 180 R HN 0.967 nan 8.270 nan 0.000 0.519 181 A N 0.408 123.213 122.820 -0.025 0.000 2.565 181 A HA 0.399 4.727 4.320 0.014 0.000 0.237 181 A C -0.063 177.518 177.584 -0.005 0.000 1.053 181 A CA 0.769 52.787 52.037 -0.031 0.000 0.755 181 A CB -0.064 18.917 19.000 -0.031 0.000 0.980 181 A HN 0.744 nan 8.150 nan 0.000 0.506 182 A N 3.743 126.557 122.820 -0.010 0.000 2.605 182 A HA 0.768 5.097 4.320 0.014 0.000 0.294 182 A C -3.217 174.356 177.584 -0.019 0.000 1.062 182 A CA -1.368 50.671 52.037 0.004 0.000 0.682 182 A CB 0.949 19.964 19.000 0.025 0.000 1.278 182 A HN 0.563 nan 8.150 nan 0.000 0.410 183 P HA 0.281 nan 4.420 nan 0.000 0.272 183 P C -0.469 176.773 177.300 -0.097 0.000 1.223 183 P CA -0.264 62.809 63.100 -0.046 0.000 0.784 183 P CB 0.402 32.092 31.700 -0.017 0.000 0.923 184 R N 1.359 121.725 120.500 -0.224 0.000 2.537 184 R HA 0.214 4.562 4.340 0.014 0.000 0.281 184 R C 1.386 177.622 176.300 -0.107 0.000 0.988 184 R CA 1.521 57.397 56.100 -0.373 0.000 1.077 184 R CB -0.727 29.275 30.300 -0.496 0.000 0.932 184 R HN 0.923 nan 8.270 nan 0.000 0.409 185 G N 2.040 110.843 108.800 0.004 0.000 2.217 185 G HA2 -0.267 3.701 3.960 0.014 0.000 0.246 185 G HA3 -0.267 3.701 3.960 0.014 0.000 0.246 185 G C 0.002 174.929 174.900 0.045 0.000 0.990 185 G CA 0.005 45.130 45.100 0.041 0.000 0.627 185 G HN 0.582 nan 8.290 nan 0.000 0.522 186 E N -0.441 119.785 120.200 0.044 0.000 2.277 186 E HA 0.718 5.076 4.350 0.014 0.000 0.266 186 E C -0.491 176.152 176.600 0.072 0.000 0.901 186 E CA -0.891 55.535 56.400 0.044 0.000 0.782 186 E CB 2.005 31.721 29.700 0.025 0.000 1.228 186 E HN 0.257 nan 8.360 nan 0.000 0.424 187 I N 1.664 122.265 120.570 0.051 0.000 2.433 187 I HA 0.344 4.523 4.170 0.014 0.000 0.292 187 I C 0.668 176.797 176.117 0.019 0.000 1.001 187 I CA -0.617 60.706 61.300 0.038 0.000 1.119 187 I CB 1.761 39.767 38.000 0.010 0.000 1.289 187 I HN 0.554 nan 8.210 nan 0.000 0.438 188 G N 3.889 112.698 108.800 0.014 0.000 2.588 188 G HA2 0.088 4.056 3.960 0.014 0.000 0.278 188 G HA3 0.088 4.056 3.960 0.014 0.000 0.278 188 G C -0.916 173.992 174.900 0.013 0.000 1.307 188 G CA -0.235 44.883 45.100 0.031 0.000 1.016 188 G HN 0.510 nan 8.290 nan 0.000 0.503 189 Y N 2.167 122.458 120.300 -0.016 0.000 2.650 189 Y HA 0.214 4.773 4.550 0.015 0.000 0.331 189 Y C -1.433 174.440 175.900 -0.045 0.000 1.165 189 Y CA -1.463 56.627 58.100 -0.016 0.000 1.473 189 Y CB 0.603 39.054 38.460 -0.016 0.000 1.224 189 Y HN 0.185 nan 8.280 nan 0.000 0.533 190 P HA 0.022 nan 4.420 nan 0.000 0.271 190 P C -0.847 176.278 177.300 -0.291 0.000 1.220 190 P CA -0.047 62.804 63.100 -0.415 0.000 0.768 190 P CB 1.085 32.493 31.700 -0.486 0.000 0.848 191 L N 3.792 124.906 121.223 -0.182 0.000 2.466 191 L HA 0.125 4.474 4.340 0.014 0.000 0.257 191 L C 2.188 178.961 176.870 -0.162 0.000 1.189 191 L CA -0.145 54.637 54.840 -0.096 0.000 0.813 191 L CB -0.501 41.511 42.059 -0.078 0.000 1.118 191 L HN 0.362 nan 8.230 nan 0.000 0.471 192 Y N 1.304 121.504 120.300 -0.166 0.000 2.069 192 Y HA -0.360 4.199 4.550 0.015 0.000 0.278 192 Y C 2.082 177.845 175.900 -0.229 0.000 1.175 192 Y CA 2.229 60.215 58.100 -0.191 0.000 1.134 192 Y CB -0.236 38.129 38.460 -0.159 0.000 0.965 192 Y HN 0.696 nan 8.280 nan 0.000 0.498 193 N N 0.582 118.910 118.700 -0.621 0.000 2.223 193 N HA -0.181 4.567 4.740 0.014 0.000 0.185 193 N C 2.025 177.178 175.510 -0.596 0.000 1.016 193 N CA 1.256 53.888 53.050 -0.696 0.000 0.863 193 N CB -0.520 37.752 38.487 -0.358 0.000 0.983 193 N HN 0.430 nan 8.380 nan 0.000 0.429 194 L N 1.094 122.022 121.223 -0.492 0.000 1.988 194 L HA -0.092 4.256 4.340 0.014 0.000 0.207 194 L C 2.035 178.611 176.870 -0.489 0.000 1.071 194 L CA 1.343 55.907 54.840 -0.460 0.000 0.744 194 L CB -0.930 40.902 42.059 -0.378 0.000 0.893 194 L HN -0.094 nan 8.230 nan 0.000 0.433 195 V N -0.322 119.235 119.914 -0.595 0.000 2.324 195 V HA -0.284 3.845 4.120 0.014 0.000 0.250 195 V C 2.746 178.559 176.094 -0.468 0.000 1.060 195 V CA 1.748 63.595 62.300 -0.755 0.000 1.042 195 V CB -0.609 30.691 31.823 -0.871 0.000 0.650 195 V HN 0.426 nan 8.190 nan 0.000 0.450 196 V N -0.703 118.897 119.914 -0.523 0.000 2.358 196 V HA -0.165 3.964 4.120 0.014 0.000 0.246 196 V C 2.291 178.189 176.094 -0.326 0.000 1.047 196 V CA 2.114 64.175 62.300 -0.397 0.000 1.035 196 V CB 0.320 31.792 31.823 -0.585 0.000 0.658 196 V HN 0.378 nan 8.190 nan 0.000 0.452 197 V N -0.225 119.403 119.914 -0.476 0.000 2.270 197 V HA -0.181 3.948 4.120 0.014 0.000 0.245 197 V C 2.493 178.314 176.094 -0.455 0.000 1.043 197 V CA 2.042 63.933 62.300 -0.681 0.000 1.014 197 V CB -0.501 30.776 31.823 -0.910 0.000 0.645 197 V HN 0.433 nan 8.190 nan 0.000 0.447 198 V N 0.328 120.055 119.914 -0.311 0.000 2.324 198 V HA -0.308 3.820 4.120 0.014 0.000 0.250 198 V C 2.243 178.297 176.094 -0.066 0.000 1.060 198 V CA 2.374 64.591 62.300 -0.139 0.000 1.042 198 V CB -0.702 31.130 31.823 0.016 0.000 0.650 198 V HN 0.552 nan 8.190 nan 0.000 0.450 199 D N -0.595 119.782 120.400 -0.038 0.000 2.194 199 D HA -0.090 4.558 4.640 0.014 0.000 0.204 199 D C 1.916 178.200 176.300 -0.025 0.000 0.964 199 D CA 0.900 54.897 54.000 -0.005 0.000 0.846 199 D CB -0.226 40.599 40.800 0.040 0.000 0.962 199 D HN 0.403 nan 8.370 nan 0.000 0.490 200 D N 0.234 120.613 120.400 -0.035 0.000 2.144 200 D HA -0.044 4.605 4.640 0.014 0.000 0.200 200 D C 2.252 178.598 176.300 0.077 0.000 0.978 200 D CA 0.341 54.366 54.000 0.041 0.000 0.833 200 D CB -0.030 40.845 40.800 0.125 0.000 0.961 200 D HN 0.278 nan 8.370 nan 0.000 0.470 201 I N 1.059 121.656 120.570 0.045 0.000 2.163 201 I HA -0.232 3.947 4.170 0.014 0.000 0.240 201 I C 2.477 178.599 176.117 0.009 0.000 1.081 201 I CA 1.098 62.434 61.300 0.060 0.000 1.353 201 I CB -0.294 37.710 38.000 0.006 0.000 1.054 201 I HN -0.082 nan 8.210 nan 0.000 0.407 202 A N 0.433 123.235 122.820 -0.030 0.000 1.933 202 A HA -0.178 4.151 4.320 0.014 0.000 0.218 202 A C 2.235 179.784 177.584 -0.057 0.000 1.175 202 A CA 1.686 53.690 52.037 -0.055 0.000 0.628 202 A CB -0.585 18.364 19.000 -0.086 0.000 0.814 202 A HN 0.415 nan 8.150 nan 0.000 0.444 203 M N -1.155 118.422 119.600 -0.039 0.000 2.561 203 M HA 0.181 4.670 4.480 0.014 0.000 0.238 203 M C 1.210 177.515 176.300 0.008 0.000 1.131 203 M CA 0.688 55.974 55.300 -0.024 0.000 1.046 203 M CB 0.248 32.847 32.600 -0.002 0.000 1.532 203 M HN 0.577 nan 8.290 nan 0.000 0.497 204 G N 1.748 110.555 108.800 0.011 0.000 2.249 204 G HA2 -0.219 3.749 3.960 0.014 0.000 0.273 204 G HA3 -0.219 3.749 3.960 0.014 0.000 0.273 204 G C 0.002 174.916 174.900 0.023 0.000 1.036 204 G CA -0.390 44.721 45.100 0.018 0.000 0.824 204 G HN 0.382 nan 8.290 nan 0.000 0.504 205 I N 1.442 122.029 120.570 0.030 0.000 2.741 205 I HA 0.074 4.252 4.170 0.014 0.000 0.288 205 I C 1.910 178.017 176.117 -0.016 0.000 1.192 205 I CA 1.417 62.731 61.300 0.024 0.000 1.426 205 I CB 0.131 38.150 38.000 0.033 0.000 1.367 205 I HN 0.376 nan 8.210 nan 0.000 0.563 206 T N 1.025 115.577 114.554 -0.004 0.000 3.037 206 T HA 0.183 4.541 4.350 0.014 0.000 0.252 206 T C 0.184 174.844 174.700 -0.066 0.000 1.073 206 T CA -0.035 62.049 62.100 -0.025 0.000 1.091 206 T CB 0.051 68.942 68.868 0.038 0.000 0.935 206 T HN 0.559 nan 8.240 nan 0.000 0.488 207 D N 0.292 120.669 120.400 -0.039 0.000 2.891 207 D HA 0.520 5.168 4.640 0.014 0.000 0.224 207 D C -1.627 174.631 176.300 -0.070 0.000 1.321 207 D CA -0.544 53.407 54.000 -0.080 0.000 0.929 207 D CB 2.521 43.368 40.800 0.078 0.000 1.551 207 D HN 0.022 nan 8.370 nan 0.000 0.574 208 V N 3.197 123.000 119.914 -0.184 0.000 2.370 208 V HA 0.447 4.575 4.120 0.014 0.000 0.283 208 V C -0.018 176.076 176.094 -0.000 0.000 1.023 208 V CA -0.572 61.712 62.300 -0.027 0.000 0.857 208 V CB 1.158 33.021 31.823 0.066 0.000 0.985 208 V HN 0.512 nan 8.190 nan 0.000 0.443 209 I N 6.197 126.804 120.570 0.063 0.000 2.339 209 I HA 0.579 4.757 4.170 0.014 0.000 0.290 209 I C 0.267 176.417 176.117 0.055 0.000 0.994 209 I CA -0.304 61.033 61.300 0.062 0.000 1.191 209 I CB 0.950 39.090 38.000 0.233 0.000 1.343 209 I HN 0.488 nan 8.210 nan 0.000 0.458 210 R N 3.299 123.756 120.500 -0.071 0.000 2.774 210 R HA 0.518 4.866 4.340 0.014 0.000 0.272 210 R C -0.330 175.960 176.300 -0.018 0.000 1.000 210 R CA -0.987 55.067 56.100 -0.077 0.000 0.906 210 R CB 2.252 32.386 30.300 -0.277 0.000 1.227 210 R HN 0.754 nan 8.270 nan 0.000 0.468 211 G N 0.275 109.110 108.800 0.058 0.000 2.483 211 G HA2 -0.006 3.963 3.960 0.014 0.000 0.248 211 G HA3 -0.006 3.963 3.960 0.014 0.000 0.248 211 G C 0.838 175.795 174.900 0.094 0.000 1.248 211 G CA -0.247 44.884 45.100 0.051 0.000 0.838 211 G HN 0.820 nan 8.290 nan 0.000 0.566 212 E N 0.826 121.107 120.200 0.135 0.000 2.338 212 E HA -0.162 4.197 4.350 0.014 0.000 0.197 212 E C 1.116 177.774 176.600 0.097 0.000 1.007 212 E CA 1.217 57.735 56.400 0.197 0.000 0.849 212 E CB -0.036 29.757 29.700 0.156 0.000 0.774 212 E HN 0.574 nan 8.360 nan 0.000 0.506 213 D N 0.812 121.175 120.400 -0.061 0.000 2.310 213 D HA -0.199 4.450 4.640 0.014 0.000 0.212 213 D C 0.685 176.903 176.300 -0.137 0.000 0.965 213 D CA 0.964 54.876 54.000 -0.146 0.000 0.879 213 D CB -0.609 40.041 40.800 -0.251 0.000 0.921 213 D HN 0.560 nan 8.370 nan 0.000 0.510 214 H N -0.453 118.689 119.070 0.121 0.000 2.528 214 H HA 0.359 4.924 4.556 0.014 0.000 0.282 214 H C 1.697 177.112 175.328 0.144 0.000 1.097 214 H CA -0.481 55.623 56.048 0.092 0.000 1.121 214 H CB 0.683 30.467 29.762 0.035 0.000 1.590 214 H HN 0.004 nan 8.280 nan 0.000 0.553 215 I N 0.872 121.602 120.570 0.266 0.000 2.315 215 I HA -0.205 3.973 4.170 0.014 0.000 0.251 215 I C 2.361 178.451 176.117 -0.046 0.000 1.125 215 I CA 1.348 62.714 61.300 0.110 0.000 1.392 215 I CB -0.001 38.039 38.000 0.067 0.000 1.065 215 I HN 0.448 nan 8.210 nan 0.000 0.424 216 G N 0.074 108.851 108.800 -0.038 0.000 2.509 216 G HA2 -0.217 3.751 3.960 0.014 0.000 0.218 216 G HA3 -0.217 3.751 3.960 0.014 0.000 0.218 216 G C 1.265 175.926 174.900 -0.398 0.000 1.124 216 G CA 0.388 45.268 45.100 -0.366 0.000 0.776 216 G HN 0.364 nan 8.290 nan 0.000 0.547 217 N N 0.330 118.913 118.700 -0.195 0.000 2.416 217 N HA -0.038 4.711 4.740 0.014 0.000 0.177 217 N C 2.280 177.593 175.510 -0.328 0.000 1.036 217 N CA 1.024 53.977 53.050 -0.161 0.000 0.901 217 N CB -0.246 38.269 38.487 0.047 0.000 0.976 217 N HN 0.179 nan 8.380 nan 0.000 0.444 218 T N 1.935 116.188 114.554 -0.503 0.000 2.674 218 T HA -0.072 4.286 4.350 0.014 0.000 0.265 218 T C -0.856 173.308 174.700 -0.893 0.000 1.039 218 T CA 1.186 62.713 62.100 -0.955 0.000 1.150 218 T CB -1.182 66.796 68.868 -1.484 0.000 0.864 218 T HN 0.293 nan 8.240 nan 0.000 0.427 219 P HA -0.070 nan 4.420 nan 0.000 0.218 219 P C 1.163 178.316 177.300 -0.245 0.000 1.148 219 P CA 1.291 64.135 63.100 -0.427 0.000 0.822 219 P CB -0.059 31.371 31.700 -0.450 0.000 0.784 220 K N 0.013 120.256 120.400 -0.262 0.000 2.057 220 K HA -0.129 4.199 4.320 0.014 0.000 0.206 220 K C 2.469 178.995 176.600 -0.123 0.000 1.050 220 K CA 1.302 57.515 56.287 -0.123 0.000 0.935 220 K CB -0.323 32.101 32.500 -0.126 0.000 0.715 220 K HN 0.235 nan 8.250 nan 0.000 0.439 221 Q N 0.678 120.363 119.800 -0.191 0.000 2.119 221 Q HA -0.061 4.287 4.340 0.014 0.000 0.201 221 Q C 2.173 178.218 176.000 0.075 0.000 0.972 221 Q CA 1.022 56.736 55.803 -0.148 0.000 0.847 221 Q CB -0.089 28.572 28.738 -0.129 0.000 0.903 221 Q HN 0.306 nan 8.270 nan 0.000 0.433 222 I N 0.659 121.257 120.570 0.047 0.000 2.264 222 I HA -0.312 3.866 4.170 0.014 0.000 0.248 222 I C 2.016 178.242 176.117 0.181 0.000 1.111 222 I CA 1.129 62.520 61.300 0.152 0.000 1.382 222 I CB -0.134 37.858 38.000 -0.013 0.000 1.060 222 I HN 0.233 nan 8.210 nan 0.000 0.418 223 L N -0.232 121.071 121.223 0.134 0.000 2.109 223 L HA -0.184 4.164 4.340 0.014 0.000 0.207 223 L C 2.464 179.467 176.870 0.222 0.000 1.086 223 L CA 1.025 56.002 54.840 0.228 0.000 0.760 223 L CB -0.403 41.848 42.059 0.321 0.000 0.910 223 L HN 0.238 nan 8.230 nan 0.000 0.437 224 L N -1.527 119.654 121.223 -0.070 0.000 2.012 224 L HA -0.267 4.082 4.340 0.014 0.000 0.210 224 L C 2.609 179.377 176.870 -0.169 0.000 1.073 224 L CA 1.570 56.187 54.840 -0.373 0.000 0.748 224 L CB -0.714 40.994 42.059 -0.585 0.000 0.891 224 L HN 0.146 nan 8.230 nan 0.000 0.431 225 Y N 0.436 120.679 120.300 -0.094 0.000 2.114 225 Y HA -0.322 4.236 4.550 0.013 0.000 0.282 225 Y C 2.637 178.531 175.900 -0.009 0.000 1.165 225 Y CA 1.789 59.861 58.100 -0.048 0.000 1.148 225 Y CB -0.402 38.046 38.460 -0.020 0.000 0.972 225 Y HN 0.214 nan 8.280 nan 0.000 0.504 226 E N -0.342 119.980 120.200 0.204 0.000 2.031 226 E HA -0.231 4.127 4.350 0.014 0.000 0.193 226 E C 2.443 179.118 176.600 0.126 0.000 0.994 226 E CA 1.010 57.498 56.400 0.146 0.000 0.800 226 E CB -0.369 29.417 29.700 0.144 0.000 0.752 226 E HN 0.467 nan 8.360 nan 0.000 0.447 227 A N 0.860 123.773 122.820 0.155 0.000 1.978 227 A HA -0.148 4.181 4.320 0.014 0.000 0.220 227 A C 1.822 179.450 177.584 0.073 0.000 1.170 227 A CA 1.061 53.195 52.037 0.162 0.000 0.636 227 A CB -0.161 19.045 19.000 0.343 0.000 0.810 227 A HN 0.118 nan 8.150 nan 0.000 0.448 228 L N -1.047 120.187 121.223 0.018 0.000 2.611 228 L HA 0.232 4.580 4.340 0.014 0.000 0.229 228 L C 1.611 178.493 176.870 0.021 0.000 1.137 228 L CA 1.030 55.863 54.840 -0.012 0.000 0.901 228 L CB -1.198 40.812 42.059 -0.081 0.000 1.098 228 L HN 0.649 nan 8.230 nan 0.000 0.456 229 G N 0.025 108.855 108.800 0.051 0.000 2.176 229 G HA2 -0.175 3.794 3.960 0.014 0.000 0.252 229 G HA3 -0.175 3.794 3.960 0.014 0.000 0.252 229 G C 0.406 175.343 174.900 0.061 0.000 1.024 229 G CA 0.374 45.505 45.100 0.052 0.000 0.755 229 G HN 0.667 nan 8.290 nan 0.000 0.507 230 A N -0.652 122.228 122.820 0.100 0.000 2.356 230 A HA 0.889 5.218 4.320 0.014 0.000 0.323 230 A C 0.312 177.963 177.584 0.112 0.000 1.119 230 A CA 0.202 52.314 52.037 0.124 0.000 0.790 230 A CB 1.244 20.369 19.000 0.208 0.000 1.273 230 A HN 0.687 nan 8.150 nan 0.000 0.452 231 T N 3.908 118.480 114.554 0.029 0.000 2.780 231 T HA 0.473 4.832 4.350 0.014 0.000 0.294 231 T C -2.317 172.235 174.700 -0.247 0.000 0.949 231 T CA -0.419 61.645 62.100 -0.060 0.000 1.074 231 T CB 0.520 69.358 68.868 -0.049 0.000 0.910 231 T HN 0.469 nan 8.240 nan 0.000 0.501 232 P HA 0.233 nan 4.420 nan 0.000 0.270 232 P C -2.223 174.701 177.300 -0.626 0.000 1.223 232 P CA -1.173 61.341 63.100 -0.978 0.000 0.785 232 P CB -0.154 31.156 31.700 -0.650 0.000 0.923 233 P HA 0.134 nan 4.420 nan 0.000 0.293 233 P C -0.571 176.295 177.300 -0.723 0.000 1.304 233 P CA -0.357 62.406 63.100 -0.561 0.000 0.767 233 P CB 0.502 31.897 31.700 -0.509 0.000 1.247 234 N N -0.478 117.936 118.700 -0.477 0.000 2.482 234 N HA 0.197 4.945 4.740 0.014 0.000 0.260 234 N C -0.440 174.684 175.510 -0.643 0.000 1.236 234 N CA 0.499 53.325 53.050 -0.372 0.000 0.938 234 N CB -0.099 38.297 38.487 -0.151 0.000 1.128 234 N HN 0.298 nan 8.380 nan 0.000 0.448 235 F N -0.142 119.811 119.950 0.005 0.000 2.508 235 F HA 0.589 5.123 4.527 0.013 0.000 0.325 235 F C 0.199 176.016 175.800 0.029 0.000 1.090 235 F CA -1.061 56.951 58.000 0.020 0.000 0.945 235 F CB 1.624 40.692 39.000 0.114 0.000 1.156 235 F HN 0.369 nan 8.300 nan 0.000 0.463 236 A N 1.774 124.607 122.820 0.021 0.000 2.375 236 A HA 0.655 4.984 4.320 0.014 0.000 0.291 236 A C -1.741 175.794 177.584 -0.082 0.000 1.160 236 A CA -0.581 51.317 52.037 -0.232 0.000 0.747 236 A CB -0.003 18.385 19.000 -1.021 0.000 1.170 236 A HN 0.812 nan 8.150 nan 0.000 0.458 237 H N 1.631 120.738 119.070 0.061 0.000 2.597 237 H HA 0.495 5.059 4.556 0.014 0.000 0.303 237 H C 0.733 176.122 175.328 0.102 0.000 1.057 237 H CA 0.443 56.563 56.048 0.121 0.000 1.261 237 H CB 1.331 31.197 29.762 0.173 0.000 1.397 237 H HN 0.649 nan 8.280 nan 0.000 0.461 238 T N 1.741 116.412 114.554 0.194 0.000 2.922 238 T HA 0.462 4.820 4.350 0.014 0.000 0.285 238 T C -2.619 172.193 174.700 0.187 0.000 1.005 238 T CA -2.391 59.834 62.100 0.210 0.000 1.061 238 T CB 1.565 70.630 68.868 0.328 0.000 1.007 238 T HN 0.214 nan 8.240 nan 0.000 0.502 239 P HA 0.256 nan 4.420 nan 0.000 0.274 239 P C -0.095 177.283 177.300 0.131 0.000 1.231 239 P CA -0.810 62.368 63.100 0.129 0.000 0.790 239 P CB 0.377 32.142 31.700 0.108 0.000 0.951 240 L N 2.128 123.403 121.223 0.087 0.000 2.476 240 L HA 0.207 4.555 4.340 0.014 0.000 0.255 240 L C 0.965 177.882 176.870 0.078 0.000 1.218 240 L CA -0.216 54.666 54.840 0.069 0.000 0.819 240 L CB -0.678 41.398 42.059 0.028 0.000 1.119 240 L HN 0.346 nan 8.230 nan 0.000 0.485 241 I N 1.604 122.213 120.570 0.065 0.000 2.496 241 I HA 0.086 4.264 4.170 0.014 0.000 0.285 241 I C 0.185 176.344 176.117 0.070 0.000 1.080 241 I CA -0.329 61.014 61.300 0.072 0.000 1.404 241 I CB 0.667 38.706 38.000 0.065 0.000 1.403 241 I HN 0.230 nan 8.210 nan 0.000 0.539 242 L N 6.212 127.489 121.223 0.090 0.000 2.400 242 L HA 0.348 4.696 4.340 0.014 0.000 0.264 242 L C 0.620 177.565 176.870 0.124 0.000 1.061 242 L CA -0.168 54.725 54.840 0.089 0.000 0.799 242 L CB 0.434 42.542 42.059 0.081 0.000 1.240 242 L HN 0.576 nan 8.230 nan 0.000 0.461 243 N N -1.040 117.726 118.700 0.111 0.000 2.229 243 N HA -0.040 4.708 4.740 0.014 0.000 0.242 243 N C 0.823 176.450 175.510 0.196 0.000 1.327 243 N CA 0.208 53.343 53.050 0.140 0.000 0.896 243 N CB 0.480 39.032 38.487 0.109 0.000 1.129 243 N HN 0.558 nan 8.380 nan 0.000 0.490 244 S N -1.010 114.830 115.700 0.233 0.000 2.423 244 S HA -0.122 4.356 4.470 0.014 0.000 0.231 244 S C 1.662 176.356 174.600 0.156 0.000 1.014 244 S CA 1.564 59.906 58.200 0.238 0.000 0.965 244 S CB -0.171 63.209 63.200 0.300 0.000 0.785 244 S HN 0.793 nan 8.310 nan 0.000 0.495 245 T N -3.246 111.385 114.554 0.128 0.000 3.000 245 T HA 0.501 4.860 4.350 0.014 0.000 0.248 245 T C 1.294 176.040 174.700 0.076 0.000 1.034 245 T CA 0.696 62.852 62.100 0.093 0.000 1.060 245 T CB 0.735 69.652 68.868 0.082 0.000 0.983 245 T HN 0.455 nan 8.240 nan 0.000 0.482 246 G N 1.425 110.273 108.800 0.079 0.000 2.456 246 G HA2 0.006 3.975 3.960 0.014 0.000 0.208 246 G HA3 0.006 3.975 3.960 0.014 0.000 0.208 246 G C -0.163 174.771 174.900 0.055 0.000 1.004 246 G CA -0.221 44.918 45.100 0.065 0.000 0.791 246 G HN 0.686 nan 8.290 nan 0.000 0.537 247 Q N 0.703 120.537 119.800 0.057 0.000 2.427 247 Q HA 0.560 4.908 4.340 0.014 0.000 0.232 247 Q C 0.255 176.281 176.000 0.044 0.000 1.018 247 Q CA -0.870 54.961 55.803 0.045 0.000 0.965 247 Q CB 0.563 29.325 28.738 0.040 0.000 1.232 247 Q HN 0.545 nan 8.270 nan 0.000 0.510 248 K N 0.131 120.549 120.400 0.031 0.000 2.448 248 K HA 0.194 4.522 4.320 0.014 0.000 0.278 248 K C -0.211 176.400 176.600 0.019 0.000 1.009 248 K CA -0.298 56.001 56.287 0.021 0.000 0.995 248 K CB 0.359 32.863 32.500 0.007 0.000 0.917 248 K HN 0.477 nan 8.250 nan 0.000 0.481 249 L N 3.125 124.354 121.223 0.011 0.000 2.456 249 L HA 0.021 4.370 4.340 0.014 0.000 0.277 249 L C -0.021 176.831 176.870 -0.030 0.000 1.124 249 L CA -0.032 54.802 54.840 -0.010 0.000 0.880 249 L CB 0.946 42.987 42.059 -0.030 0.000 1.192 249 L HN 0.810 nan 8.230 nan 0.000 0.463 250 S N 3.554 119.239 115.700 -0.026 0.000 2.457 250 S HA 0.118 4.596 4.470 0.014 0.000 0.289 250 S C 1.000 175.562 174.600 -0.063 0.000 1.163 250 S CA -0.617 57.559 58.200 -0.040 0.000 1.078 250 S CB 1.307 64.496 63.200 -0.018 0.000 0.987 250 S HN 0.714 nan 8.310 nan 0.000 0.482 251 K N 3.720 124.049 120.400 -0.118 0.000 2.103 251 K HA -0.038 4.290 4.320 0.014 0.000 0.207 251 K C 1.589 178.139 176.600 -0.084 0.000 1.048 251 K CA 1.314 57.494 56.287 -0.178 0.000 0.930 251 K CB -0.014 32.291 32.500 -0.326 0.000 0.716 251 K HN 0.565 nan 8.250 nan 0.000 0.444 252 R N 0.175 120.640 120.500 -0.059 0.000 2.310 252 R HA 0.032 4.380 4.340 0.014 0.000 0.202 252 R C -0.560 175.734 176.300 -0.009 0.000 0.933 252 R CA 0.240 56.323 56.100 -0.027 0.000 1.054 252 R CB 0.395 30.681 30.300 -0.025 0.000 0.985 252 R HN 0.089 nan 8.270 nan 0.000 0.489 253 D N 0.387 120.783 120.400 -0.006 0.000 2.389 253 D HA 0.312 4.961 4.640 0.014 0.000 0.256 253 D C 0.194 176.509 176.300 0.025 0.000 1.239 253 D CA 0.353 54.361 54.000 0.013 0.000 0.925 253 D CB 1.378 42.189 40.800 0.019 0.000 1.145 253 D HN 0.267 nan 8.370 nan 0.000 0.542 254 G N 0.373 109.192 108.800 0.032 0.000 2.587 254 G HA2 -0.168 3.800 3.960 0.014 0.000 0.212 254 G HA3 -0.168 3.800 3.960 0.014 0.000 0.212 254 G C -0.795 174.115 174.900 0.017 0.000 1.327 254 G CA -0.733 44.400 45.100 0.055 0.000 0.898 254 G HN 0.379 nan 8.290 nan 0.000 0.551 255 V N 1.348 121.268 119.914 0.009 0.000 2.407 255 V HA 0.630 4.758 4.120 0.014 0.000 0.278 255 V C 1.278 177.251 176.094 -0.202 0.000 1.037 255 V CA 1.022 63.222 62.300 -0.165 0.000 0.900 255 V CB 1.052 32.679 31.823 -0.325 0.000 0.983 255 V HN 1.626 nan 8.190 nan 0.000 0.459 256 T N -0.876 113.666 114.554 -0.020 0.000 3.029 256 T HA 0.100 4.458 4.350 0.014 0.000 0.256 256 T C 0.708 175.656 174.700 0.415 0.000 0.914 256 T CA 0.398 62.655 62.100 0.262 0.000 0.880 256 T CB 0.241 69.239 68.868 0.216 0.000 1.246 256 T HN 0.640 nan 8.240 nan 0.000 0.523 257 S N 2.450 118.257 115.700 0.178 0.000 2.545 257 S HA 0.447 4.925 4.470 0.014 0.000 0.275 257 S C 1.298 176.017 174.600 0.200 0.000 1.299 257 S CA -0.912 57.246 58.200 -0.070 0.000 1.048 257 S CB 0.423 63.412 63.200 -0.351 0.000 0.938 257 S HN 0.083 nan 8.310 nan 0.000 0.496 258 I N 2.768 123.447 120.570 0.182 0.000 2.248 258 I HA -0.195 3.983 4.170 0.014 0.000 0.248 258 I C 2.716 178.940 176.117 0.178 0.000 1.107 258 I CA 1.726 63.196 61.300 0.282 0.000 1.373 258 I CB -2.294 35.835 38.000 0.215 0.000 1.055 258 I HN 0.888 nan 8.210 nan 0.000 0.418 259 S N 0.537 116.248 115.700 0.019 0.000 2.382 259 S HA -0.176 4.302 4.470 0.014 0.000 0.228 259 S C 1.607 176.183 174.600 -0.040 0.000 1.027 259 S CA 1.223 59.373 58.200 -0.083 0.000 0.991 259 S CB -0.439 62.708 63.200 -0.088 0.000 0.823 259 S HN 0.372 nan 8.310 nan 0.000 0.469 260 D N 1.142 121.539 120.400 -0.006 0.000 2.117 260 D HA 0.064 4.712 4.640 0.014 0.000 0.198 260 D C 1.533 177.847 176.300 0.024 0.000 0.982 260 D CA 0.766 54.742 54.000 -0.040 0.000 0.828 260 D CB -0.507 40.221 40.800 -0.120 0.000 0.967 260 D HN 0.417 nan 8.370 nan 0.000 0.464 261 F N 1.027 121.080 119.950 0.171 0.000 2.161 261 F HA -0.088 4.448 4.527 0.014 0.000 0.300 261 F C 2.513 178.528 175.800 0.359 0.000 1.089 261 F CA 0.940 59.144 58.000 0.340 0.000 1.282 261 F CB -0.254 38.902 39.000 0.260 0.000 1.010 261 F HN -0.122 nan 8.300 nan 0.000 0.485 262 R N 0.681 121.373 120.500 0.320 0.000 2.066 262 R HA -0.135 4.213 4.340 0.014 0.000 0.232 262 R C 2.382 178.697 176.300 0.024 0.000 1.131 262 R CA 1.349 57.485 56.100 0.061 0.000 0.955 262 R CB -0.593 29.356 30.300 -0.584 0.000 0.851 262 R HN 0.225 nan 8.270 nan 0.000 0.432 263 A N 0.932 123.744 122.820 -0.015 0.000 1.978 263 A HA -0.180 4.149 4.320 0.014 0.000 0.220 263 A C 2.140 179.726 177.584 0.004 0.000 1.170 263 A CA 1.727 53.747 52.037 -0.027 0.000 0.636 263 A CB -0.445 18.533 19.000 -0.037 0.000 0.810 263 A HN 0.424 nan 8.150 nan 0.000 0.448 264 M N -1.725 117.918 119.600 0.072 0.000 2.619 264 M HA 0.119 4.608 4.480 0.014 0.000 0.251 264 M C 1.319 177.555 176.300 -0.108 0.000 1.106 264 M CA 0.944 56.270 55.300 0.043 0.000 1.086 264 M CB 0.194 32.922 32.600 0.214 0.000 1.465 264 M HN 0.670 nan 8.290 nan 0.000 0.506 265 G N -0.414 108.347 108.800 -0.065 0.000 2.148 265 G HA2 -0.226 3.743 3.960 0.014 0.000 0.203 265 G HA3 -0.226 3.743 3.960 0.014 0.000 0.203 265 G C -0.485 174.319 174.900 -0.160 0.000 0.993 265 G CA -0.700 44.327 45.100 -0.122 0.000 0.661 265 G HN 0.382 nan 8.290 nan 0.000 0.518 266 Y N 0.455 120.900 120.300 0.242 0.000 2.304 266 Y HA 0.636 5.195 4.550 0.014 0.000 0.328 266 Y C 1.336 177.402 175.900 0.276 0.000 1.123 266 Y CA -0.772 57.475 58.100 0.245 0.000 1.218 266 Y CB 0.782 39.420 38.460 0.297 0.000 1.207 266 Y HN 0.132 nan 8.280 nan 0.000 0.495 267 L N 2.646 124.037 121.223 0.280 0.000 2.395 267 L HA 0.336 4.685 4.340 0.014 0.000 0.269 267 L C 1.345 178.091 176.870 -0.206 0.000 1.133 267 L CA -0.415 54.485 54.840 0.100 0.000 0.812 267 L CB 0.947 43.009 42.059 0.004 0.000 1.125 267 L HN 0.877 nan 8.230 nan 0.000 0.452 268 A N 4.182 126.603 122.820 -0.667 0.000 1.865 268 A HA -0.073 4.255 4.320 0.014 0.000 0.217 268 A C -0.260 176.852 177.584 -0.786 0.000 1.191 268 A CA 1.589 52.870 52.037 -1.259 0.000 0.623 268 A CB -1.738 16.104 19.000 -1.929 0.000 0.826 268 A HN 0.767 nan 8.150 nan 0.000 0.444 269 P HA -0.131 nan 4.420 nan 0.000 0.218 269 P C 1.483 178.113 177.300 -1.117 0.000 1.148 269 P CA 1.890 64.484 63.100 -0.843 0.000 0.822 269 P CB -0.152 31.045 31.700 -0.839 0.000 0.784 270 A N -0.166 122.014 122.820 -1.067 0.000 1.929 270 A HA -0.081 4.248 4.320 0.014 0.000 0.216 270 A C 2.409 179.817 177.584 -0.292 0.000 1.176 270 A CA 1.005 52.667 52.037 -0.624 0.000 0.628 270 A CB -1.503 17.383 19.000 -0.190 0.000 0.816 270 A HN 0.113 nan 8.150 nan 0.000 0.444 271 L N -0.749 120.299 121.223 -0.291 0.000 2.027 271 L HA -0.180 4.168 4.340 0.014 0.000 0.206 271 L C 3.127 179.878 176.870 -0.198 0.000 1.074 271 L CA 1.050 55.765 54.840 -0.209 0.000 0.745 271 L CB -0.496 41.449 42.059 -0.190 0.000 0.898 271 L HN 0.440 nan 8.230 nan 0.000 0.433 272 A N 0.256 122.894 122.820 -0.303 0.000 1.851 272 A HA -0.329 3.999 4.320 0.014 0.000 0.216 272 A C 2.033 179.515 177.584 -0.171 0.000 1.195 272 A CA 2.435 54.305 52.037 -0.279 0.000 0.622 272 A CB -1.130 17.649 19.000 -0.368 0.000 0.831 272 A HN 0.561 nan 8.150 nan 0.000 0.444 273 N N -2.350 116.228 118.700 -0.203 0.000 2.094 273 N HA -0.267 4.482 4.740 0.014 0.000 0.191 273 N C 1.750 177.234 175.510 -0.044 0.000 1.023 273 N CA 1.866 54.796 53.050 -0.199 0.000 0.857 273 N CB -0.292 38.050 38.487 -0.242 0.000 1.013 273 N HN 0.564 nan 8.380 nan 0.000 0.426 274 Y N 1.102 121.317 120.300 -0.141 0.000 2.109 274 Y HA -0.090 4.469 4.550 0.014 0.000 0.285 274 Y C 2.257 178.126 175.900 -0.053 0.000 1.131 274 Y CA 1.651 59.691 58.100 -0.099 0.000 1.121 274 Y CB -0.432 37.919 38.460 -0.182 0.000 0.987 274 Y HN 0.095 nan 8.280 nan 0.000 0.495 275 M N -0.653 118.815 119.600 -0.221 0.000 2.144 275 M HA -0.273 4.215 4.480 0.014 0.000 0.260 275 M C 1.889 178.061 176.300 -0.214 0.000 1.067 275 M CA 2.248 57.365 55.300 -0.304 0.000 1.095 275 M CB -0.644 31.799 32.600 -0.261 0.000 1.365 275 M HN 0.275 nan 8.290 nan 0.000 0.406 276 T N 1.193 115.725 114.554 -0.037 0.000 2.652 276 T HA -0.135 4.223 4.350 0.014 0.000 0.267 276 T C 1.753 176.732 174.700 0.465 0.000 1.039 276 T CA 1.217 63.478 62.100 0.268 0.000 1.153 276 T CB -0.450 68.692 68.868 0.455 0.000 0.863 276 T HN 0.357 nan 8.240 nan 0.000 0.428 277 L N 0.438 121.866 121.223 0.340 0.000 2.349 277 L HA 0.032 4.381 4.340 0.014 0.000 0.220 277 L C 0.766 177.684 176.870 0.079 0.000 1.130 277 L CA 0.556 55.556 54.840 0.268 0.000 0.791 277 L CB -0.546 41.626 42.059 0.189 0.000 0.918 277 L HN 0.253 nan 8.230 nan 0.000 0.444 278 L N 0.472 121.658 121.223 -0.060 0.000 2.384 278 L HA 0.195 4.543 4.340 0.014 0.000 0.258 278 L C 1.089 178.076 176.870 0.196 0.000 1.266 278 L CA 0.320 55.123 54.840 -0.061 0.000 1.162 278 L CB -0.231 41.685 42.059 -0.239 0.000 1.375 278 L HN 0.304 nan 8.230 nan 0.000 0.420 279 G N 0.873 109.815 108.800 0.237 0.000 2.541 279 G HA2 -0.262 3.707 3.960 0.014 0.000 0.201 279 G HA3 -0.262 3.707 3.960 0.014 0.000 0.201 279 G C -0.489 174.609 174.900 0.331 0.000 1.026 279 G CA -0.646 44.641 45.100 0.312 0.000 0.687 279 G HN 0.417 nan 8.290 nan 0.000 0.492 280 W N 4.110 125.548 121.300 0.231 0.000 2.314 280 W HA 0.679 5.347 4.660 0.014 0.000 0.310 280 W C 0.531 177.107 176.519 0.096 0.000 1.075 280 W CA -0.293 57.133 57.345 0.134 0.000 1.253 280 W CB 1.336 30.972 29.460 0.293 0.000 1.238 280 W HN 0.452 nan 8.180 nan 0.000 0.440 281 S N 6.682 122.101 115.700 -0.469 0.000 2.438 281 S HA 0.557 5.035 4.470 0.014 0.000 0.293 281 S C -2.567 171.361 174.600 -1.120 0.000 1.141 281 S CA -1.565 56.313 58.200 -0.537 0.000 1.080 281 S CB 1.220 64.233 63.200 -0.311 0.000 0.978 281 S HN 0.287 nan 8.310 nan 0.000 0.479 282 P HA 0.341 nan 4.420 nan 0.000 0.271 282 P C -2.375 174.544 177.300 -0.634 0.000 1.218 282 P CA -1.113 61.294 63.100 -1.154 0.000 0.780 282 P CB -0.539 30.835 31.700 -0.544 0.000 0.901 283 P HA 0.033 nan 4.420 nan 0.000 0.270 283 P C -0.436 176.713 177.300 -0.252 0.000 1.227 283 P CA -0.014 62.885 63.100 -0.336 0.000 0.788 283 P CB 0.266 31.768 31.700 -0.331 0.000 0.926 284 E N 0.781 120.869 120.200 -0.186 0.000 2.406 284 E HA 0.250 4.608 4.350 0.014 0.000 0.258 284 E C 0.989 177.520 176.600 -0.115 0.000 1.043 284 E CA 0.691 57.016 56.400 -0.126 0.000 0.929 284 E CB -0.424 29.219 29.700 -0.095 0.000 0.969 284 E HN 0.790 nan 8.360 nan 0.000 0.462 285 G N 2.012 110.765 108.800 -0.078 0.000 2.278 285 G HA2 -0.295 3.673 3.960 0.014 0.000 0.210 285 G HA3 -0.295 3.673 3.960 0.014 0.000 0.210 285 G C 0.945 175.834 174.900 -0.019 0.000 1.000 285 G CA 0.082 45.156 45.100 -0.043 0.000 0.635 285 G HN 0.415 nan 8.290 nan 0.000 0.495 286 V N 1.077 120.957 119.914 -0.057 0.000 2.346 286 V HA 0.455 4.583 4.120 0.014 0.000 0.244 286 V C 2.129 178.306 176.094 0.139 0.000 1.037 286 V CA 2.355 64.668 62.300 0.022 0.000 1.029 286 V CB -1.081 30.706 31.823 -0.060 0.000 0.663 286 V HN 2.222 nan 8.190 nan 0.000 0.454 287 G N -0.060 108.807 108.800 0.111 0.000 2.796 287 G HA2 -0.213 3.755 3.960 0.014 0.000 0.571 287 G HA3 -0.213 3.755 3.960 0.014 0.000 0.571 287 G C 0.090 175.217 174.900 0.378 0.000 1.370 287 G CA 0.175 45.389 45.100 0.189 0.000 0.856 287 G HN 0.327 nan 8.290 nan 0.000 0.538 288 E N -0.863 119.548 120.200 0.352 0.000 2.442 288 E HA 0.126 4.485 4.350 0.014 0.000 0.195 288 E C 0.856 177.573 176.600 0.195 0.000 1.030 288 E CA -0.043 56.604 56.400 0.412 0.000 0.869 288 E CB 0.290 30.140 29.700 0.250 0.000 0.857 288 E HN 0.265 nan 8.360 nan 0.000 0.505 289 L N 2.001 123.355 121.223 0.219 0.000 2.283 289 L HA 0.358 4.706 4.340 0.014 0.000 0.281 289 L C -1.362 175.570 176.870 0.103 0.000 1.033 289 L CA -0.304 54.530 54.840 -0.010 0.000 0.848 289 L CB -0.183 41.844 42.059 -0.053 0.000 1.226 289 L HN -0.084 nan 8.230 nan 0.000 0.429 290 F N 0.992 121.071 119.950 0.214 0.000 2.613 290 F HA 0.694 5.229 4.527 0.014 0.000 0.310 290 F C 0.327 176.249 175.800 0.203 0.000 1.085 290 F CA -0.965 57.155 58.000 0.200 0.000 0.945 290 F CB 0.843 39.988 39.000 0.242 0.000 1.298 290 F HN 0.395 nan 8.300 nan 0.000 0.455 291 T N -0.882 113.880 114.554 0.346 0.000 2.732 291 T HA 0.370 4.728 4.350 0.014 0.000 0.287 291 T C 0.901 175.743 174.700 0.237 0.000 0.993 291 T CA -0.630 61.596 62.100 0.211 0.000 0.966 291 T CB 0.787 69.742 68.868 0.143 0.000 1.047 291 T HN 0.766 nan 8.240 nan 0.000 0.527 292 L N -0.022 121.238 121.223 0.062 0.000 2.156 292 L HA 0.006 4.354 4.340 0.014 0.000 0.208 292 L C 2.431 179.425 176.870 0.206 0.000 1.095 292 L CA 1.019 55.881 54.840 0.037 0.000 0.770 292 L CB -0.557 41.292 42.059 -0.350 0.000 0.914 292 L HN 0.642 nan 8.230 nan 0.000 0.439 293 D N 0.198 120.713 120.400 0.191 0.000 2.178 293 D HA -0.180 4.469 4.640 0.014 0.000 0.201 293 D C 2.246 178.629 176.300 0.139 0.000 0.980 293 D CA 1.118 55.235 54.000 0.194 0.000 0.842 293 D CB 0.052 40.936 40.800 0.139 0.000 0.948 293 D HN 0.260 nan 8.370 nan 0.000 0.472 294 L N 0.243 121.565 121.223 0.165 0.000 2.095 294 L HA -0.019 4.329 4.340 0.014 0.000 0.204 294 L C 2.227 179.184 176.870 0.146 0.000 1.080 294 L CA 0.784 55.726 54.840 0.170 0.000 0.759 294 L CB -0.144 42.066 42.059 0.251 0.000 0.914 294 L HN -0.051 nan 8.230 nan 0.000 0.439 295 A N -0.217 122.676 122.820 0.121 0.000 2.024 295 A HA -0.185 4.144 4.320 0.014 0.000 0.220 295 A C 2.364 179.869 177.584 -0.131 0.000 1.164 295 A CA 1.614 53.583 52.037 -0.113 0.000 0.643 295 A CB -0.592 18.317 19.000 -0.151 0.000 0.806 295 A HN 0.518 nan 8.150 nan 0.000 0.451 296 A N -0.312 122.505 122.820 -0.004 0.000 1.897 296 A HA -0.096 4.232 4.320 0.014 0.000 0.215 296 A C 2.069 179.696 177.584 0.072 0.000 1.181 296 A CA 1.578 53.616 52.037 0.003 0.000 0.620 296 A CB -0.387 18.624 19.000 0.018 0.000 0.821 296 A HN 0.492 nan 8.150 nan 0.000 0.443 297 K N -1.407 118.995 120.400 0.004 0.000 2.152 297 K HA -0.191 4.137 4.320 0.014 0.000 0.206 297 K C 1.120 177.639 176.600 -0.135 0.000 1.048 297 K CA 1.833 58.051 56.287 -0.115 0.000 0.933 297 K CB -0.216 32.081 32.500 -0.338 0.000 0.721 297 K HN 0.776 nan 8.250 nan 0.000 0.447 298 H N -2.683 116.465 119.070 0.130 0.000 2.893 298 H HA 0.112 4.677 4.556 0.014 0.000 0.270 298 H C -0.449 174.897 175.328 0.030 0.000 1.095 298 H CA -0.769 55.351 56.048 0.119 0.000 1.186 298 H CB 0.439 30.326 29.762 0.208 0.000 1.562 298 H HN -0.026 nan 8.280 nan 0.000 0.536 299 F N 3.118 122.873 119.950 -0.326 0.000 2.529 299 F HA 0.233 4.768 4.527 0.014 0.000 0.365 299 F C 0.430 175.914 175.800 -0.527 0.000 1.102 299 F CA 0.073 57.760 58.000 -0.522 0.000 1.271 299 F CB 0.512 39.074 39.000 -0.731 0.000 1.120 299 F HN 0.009 nan 8.300 nan 0.000 0.579 300 S N 4.461 119.506 115.700 -1.092 0.000 2.537 300 S HA 0.385 4.864 4.470 0.014 0.000 0.271 300 S C -0.146 173.904 174.600 -0.918 0.000 1.148 300 S CA -0.835 56.913 58.200 -0.754 0.000 0.868 300 S CB 0.562 63.611 63.200 -0.253 0.000 1.115 300 S HN 0.475 nan 8.310 nan 0.000 0.461 301 F N 1.331 121.040 119.950 -0.402 0.000 2.407 301 F HA 0.150 4.686 4.527 0.015 0.000 0.299 301 F C 2.201 177.889 175.800 -0.186 0.000 1.097 301 F CA 0.809 58.623 58.000 -0.311 0.000 1.422 301 F CB -0.634 38.246 39.000 -0.199 0.000 1.067 301 F HN 0.642 nan 8.300 nan 0.000 0.539 302 E N 0.107 120.317 120.200 0.018 0.000 2.097 302 E HA -0.181 4.178 4.350 0.014 0.000 0.196 302 E C 1.788 178.357 176.600 -0.053 0.000 1.000 302 E CA 1.078 57.474 56.400 -0.007 0.000 0.804 302 E CB -0.201 29.490 29.700 -0.015 0.000 0.740 302 E HN 0.063 nan 8.360 nan 0.000 0.454 303 R N 0.388 120.825 120.500 -0.105 0.000 2.335 303 R HA 0.108 4.456 4.340 0.014 0.000 0.223 303 R C -0.053 176.170 176.300 -0.128 0.000 0.940 303 R CA -0.021 55.978 56.100 -0.168 0.000 1.086 303 R CB -0.077 30.046 30.300 -0.295 0.000 1.073 303 R HN 0.173 nan 8.270 nan 0.000 0.504 304 I N 2.454 123.003 120.570 -0.035 0.000 2.452 304 I HA -0.045 4.134 4.170 0.014 0.000 0.287 304 I C 0.684 176.809 176.117 0.014 0.000 1.079 304 I CA -0.873 60.438 61.300 0.018 0.000 1.387 304 I CB 0.059 38.067 38.000 0.014 0.000 1.404 304 I HN -0.032 nan 8.210 nan 0.000 0.522 305 N N 6.831 125.548 118.700 0.029 0.000 2.414 305 N HA -0.076 4.672 4.740 0.014 0.000 0.268 305 N C 0.736 176.274 175.510 0.046 0.000 1.286 305 N CA 0.602 53.666 53.050 0.024 0.000 0.896 305 N CB 0.518 39.027 38.487 0.036 0.000 1.093 305 N HN 0.382 nan 8.380 nan 0.000 0.480 306 K N 1.563 121.980 120.400 0.029 0.000 2.487 306 K HA 0.144 4.472 4.320 0.014 0.000 0.192 306 K C -0.031 176.595 176.600 0.043 0.000 1.027 306 K CA 0.099 56.408 56.287 0.037 0.000 1.054 306 K CB 0.225 32.737 32.500 0.020 0.000 0.824 306 K HN 0.572 nan 8.250 nan 0.000 0.510 307 A N 0.361 123.208 122.820 0.044 0.000 2.437 307 A HA 0.642 4.971 4.320 0.014 0.000 0.288 307 A C -0.192 177.429 177.584 0.061 0.000 1.201 307 A CA -0.580 51.486 52.037 0.047 0.000 0.795 307 A CB 0.625 19.645 19.000 0.033 0.000 1.359 307 A HN 0.141 nan 8.150 nan 0.000 0.435 308 G N -0.311 108.524 108.800 0.059 0.000 2.265 308 G HA2 0.549 4.518 3.960 0.014 0.000 0.240 308 G HA3 0.549 4.518 3.960 0.014 0.000 0.240 308 G C 0.263 175.203 174.900 0.066 0.000 1.270 308 G CA 0.558 45.699 45.100 0.067 0.000 0.901 308 G HN 1.545 nan 8.290 nan 0.000 0.507 309 A N 3.955 126.820 122.820 0.075 0.000 2.276 309 A HA 0.548 4.877 4.320 0.014 0.000 0.300 309 A C 0.790 178.420 177.584 0.076 0.000 1.235 309 A CA -0.643 51.431 52.037 0.062 0.000 0.867 309 A CB 0.440 19.473 19.000 0.054 0.000 1.137 309 A HN 0.754 nan 8.150 nan 0.000 0.527 310 R N 1.239 121.784 120.500 0.074 0.000 2.489 310 R HA 0.144 4.492 4.340 0.014 0.000 0.287 310 R C -0.574 175.806 176.300 0.133 0.000 1.053 310 R CA 0.030 56.194 56.100 0.108 0.000 1.036 310 R CB 0.441 30.794 30.300 0.089 0.000 0.966 310 R HN 0.686 nan 8.270 nan 0.000 0.432 311 F N 3.158 123.132 119.950 0.041 0.000 2.472 311 F HA 0.057 4.593 4.527 0.014 0.000 0.364 311 F C -0.136 175.688 175.800 0.039 0.000 1.090 311 F CA -0.130 57.898 58.000 0.047 0.000 1.188 311 F CB 0.556 39.551 39.000 -0.009 0.000 1.105 311 F HN 0.350 nan 8.300 nan 0.000 0.536 312 D N 6.038 126.130 120.400 -0.513 0.000 2.440 312 D HA 0.116 4.765 4.640 0.014 0.000 0.239 312 D C 0.231 176.171 176.300 -0.600 0.000 1.084 312 D CA -0.441 53.355 54.000 -0.339 0.000 0.843 312 D CB 0.569 41.318 40.800 -0.084 0.000 1.097 312 D HN 0.663 nan 8.370 nan 0.000 0.531 313 W N 2.093 123.197 121.300 -0.327 0.000 2.342 313 W HA -0.114 4.555 4.660 0.014 0.000 0.297 313 W C 1.754 178.197 176.519 -0.126 0.000 1.213 313 W CA 0.378 57.600 57.345 -0.206 0.000 1.251 313 W CB 0.162 29.655 29.460 0.056 0.000 1.136 313 W HN 0.431 nan 8.180 nan 0.000 0.526 314 D N -0.177 120.319 120.400 0.161 0.000 2.178 314 D HA -0.172 4.476 4.640 0.014 0.000 0.201 314 D C 1.854 178.217 176.300 0.105 0.000 0.980 314 D CA 1.372 55.455 54.000 0.138 0.000 0.842 314 D CB -0.318 40.548 40.800 0.110 0.000 0.948 314 D HN 0.229 nan 8.370 nan 0.000 0.472 315 K N 0.156 120.558 120.400 0.003 0.000 2.137 315 K HA -0.059 4.269 4.320 0.014 0.000 0.202 315 K C 2.097 178.687 176.600 -0.016 0.000 1.052 315 K CA 0.122 56.438 56.287 0.049 0.000 0.961 315 K CB 0.013 32.552 32.500 0.065 0.000 0.741 315 K HN -0.043 nan 8.250 nan 0.000 0.452 316 L N 1.900 122.855 121.223 -0.446 0.000 2.017 316 L HA -0.166 4.183 4.340 0.014 0.000 0.208 316 L C 1.335 178.154 176.870 -0.084 0.000 1.073 316 L CA 1.910 56.358 54.840 -0.653 0.000 0.745 316 L CB -0.736 40.591 42.059 -1.219 0.000 0.894 316 L HN 0.250 nan 8.230 nan 0.000 0.432 317 N N -1.578 117.191 118.700 0.115 0.000 2.104 317 N HA -0.286 4.463 4.740 0.014 0.000 0.190 317 N C 1.636 177.276 175.510 0.216 0.000 1.024 317 N CA 1.511 54.725 53.050 0.274 0.000 0.853 317 N CB -0.457 38.204 38.487 0.289 0.000 1.008 317 N HN 0.554 nan 8.380 nan 0.000 0.424 318 W N 1.916 123.240 121.300 0.039 0.000 2.363 318 W HA -0.050 4.619 4.660 0.014 0.000 0.296 318 W C 1.662 178.195 176.519 0.023 0.000 1.212 318 W CA 0.943 58.303 57.345 0.026 0.000 1.260 318 W CB -0.225 29.243 29.460 0.012 0.000 1.131 318 W HN -0.007 nan 8.180 nan 0.000 0.530 319 L N 0.236 121.548 121.223 0.149 0.000 2.068 319 L HA -0.183 4.166 4.340 0.014 0.000 0.204 319 L C 2.343 179.252 176.870 0.065 0.000 1.076 319 L CA 1.583 56.443 54.840 0.032 0.000 0.753 319 L CB -1.004 41.187 42.059 0.220 0.000 0.910 319 L HN -0.003 nan 8.230 nan 0.000 0.439 320 N N 0.383 119.166 118.700 0.139 0.000 2.120 320 N HA -0.224 4.524 4.740 0.014 0.000 0.188 320 N C 1.896 177.448 175.510 0.070 0.000 1.024 320 N CA 1.229 54.395 53.050 0.193 0.000 0.852 320 N CB -0.030 38.651 38.487 0.324 0.000 1.003 320 N HN 0.056 nan 8.380 nan 0.000 0.424 321 R N 0.065 120.549 120.500 -0.028 0.000 2.096 321 R HA -0.116 4.233 4.340 0.014 0.000 0.240 321 R C 1.961 178.121 176.300 -0.234 0.000 1.139 321 R CA 1.517 57.541 56.100 -0.125 0.000 0.952 321 R CB -0.110 30.100 30.300 -0.151 0.000 0.854 321 R HN 0.319 nan 8.270 nan 0.000 0.436 322 Q N -0.944 118.632 119.800 -0.374 0.000 2.124 322 Q HA -0.190 4.158 4.340 0.014 0.000 0.202 322 Q C 1.891 177.614 176.000 -0.463 0.000 0.977 322 Q CA 1.593 57.092 55.803 -0.506 0.000 0.850 322 Q CB -0.149 28.132 28.738 -0.761 0.000 0.901 322 Q HN 0.505 nan 8.270 nan 0.000 0.429 323 Y N 0.152 120.329 120.300 -0.204 0.000 2.243 323 Y HA -0.049 4.509 4.550 0.014 0.000 0.293 323 Y C 2.260 178.070 175.900 -0.149 0.000 1.124 323 Y CA 0.474 58.481 58.100 -0.154 0.000 1.159 323 Y CB -0.258 38.129 38.460 -0.122 0.000 1.008 323 Y HN 0.009 nan 8.280 nan 0.000 0.527 324 I N 0.042 120.600 120.570 -0.020 0.000 2.248 324 I HA -0.392 3.787 4.170 0.014 0.000 0.248 324 I C 1.933 177.867 176.117 -0.306 0.000 1.107 324 I CA 1.635 62.847 61.300 -0.147 0.000 1.373 324 I CB -0.372 37.534 38.000 -0.156 0.000 1.055 324 I HN 0.344 nan 8.210 nan 0.000 0.418 325 Q N -0.156 119.479 119.800 -0.274 0.000 2.369 325 Q HA -0.182 4.167 4.340 0.014 0.000 0.206 325 Q C 2.006 177.874 176.000 -0.220 0.000 0.963 325 Q CA 0.814 56.447 55.803 -0.283 0.000 0.894 325 Q CB 0.026 28.612 28.738 -0.254 0.000 0.965 325 Q HN 0.586 nan 8.270 nan 0.000 0.475 326 Q N -0.336 119.356 119.800 -0.181 0.000 2.331 326 Q HA -0.001 4.347 4.340 0.014 0.000 0.203 326 Q C -0.244 175.716 176.000 -0.066 0.000 0.944 326 Q CA -0.094 55.638 55.803 -0.119 0.000 0.892 326 Q CB 0.364 29.040 28.738 -0.104 0.000 0.983 326 Q HN 0.177 nan 8.270 nan 0.000 0.482 327 L N 2.248 123.429 121.223 -0.070 0.000 2.525 327 L HA -0.054 4.294 4.340 0.014 0.000 0.278 327 L C 0.526 177.393 176.870 -0.006 0.000 1.218 327 L CA 0.765 55.597 54.840 -0.014 0.000 0.878 327 L CB 0.221 42.288 42.059 0.014 0.000 1.127 327 L HN 0.050 nan 8.230 nan 0.000 0.492 328 E N 5.721 125.949 120.200 0.048 0.000 2.392 328 E HA 0.041 4.400 4.350 0.014 0.000 0.264 328 E C -1.504 175.177 176.600 0.135 0.000 1.024 328 E CA -1.567 54.876 56.400 0.071 0.000 0.903 328 E CB 0.550 30.296 29.700 0.076 0.000 0.963 328 E HN 0.373 nan 8.360 nan 0.000 0.432 329 P HA -0.189 nan 4.420 nan 0.000 0.216 329 P C 1.128 178.621 177.300 0.321 0.000 1.150 329 P CA 1.287 64.494 63.100 0.178 0.000 0.843 329 P CB 0.431 32.191 31.700 0.099 0.000 0.787 330 E N 0.262 120.660 120.200 0.331 0.000 2.072 330 E HA -0.176 4.182 4.350 0.014 0.000 0.190 330 E C 1.856 178.552 176.600 0.159 0.000 0.982 330 E CA 1.457 58.015 56.400 0.264 0.000 0.803 330 E CB -0.663 29.135 29.700 0.163 0.000 0.755 330 E HN 0.270 nan 8.360 nan 0.000 0.453 331 E N -0.607 119.678 120.200 0.141 0.000 2.077 331 E HA -0.160 4.198 4.350 0.014 0.000 0.193 331 E C 1.890 178.563 176.600 0.121 0.000 0.989 331 E CA 1.017 57.483 56.400 0.109 0.000 0.800 331 E CB -0.356 29.407 29.700 0.104 0.000 0.746 331 E HN 0.266 nan 8.360 nan 0.000 0.452 332 F N 1.891 121.842 119.950 0.002 0.000 2.095 332 F HA -0.207 4.328 4.527 0.014 0.000 0.298 332 F C 2.110 177.868 175.800 -0.071 0.000 1.104 332 F CA 1.145 59.122 58.000 -0.038 0.000 1.232 332 F CB -0.460 38.510 39.000 -0.051 0.000 0.987 332 F HN -0.000 nan 8.300 nan 0.000 0.475 333 L N 1.049 122.142 121.223 -0.217 0.000 2.042 333 L HA -0.068 4.280 4.340 0.014 0.000 0.210 333 L C 2.439 179.156 176.870 -0.255 0.000 1.076 333 L CA 2.210 56.880 54.840 -0.283 0.000 0.749 333 L CB -1.478 40.604 42.059 0.038 0.000 0.893 333 L HN 0.164 nan 8.230 nan 0.000 0.432 334 A N -0.776 121.977 122.820 -0.113 0.000 1.940 334 A HA -0.205 4.123 4.320 0.014 0.000 0.219 334 A C 2.123 179.620 177.584 -0.146 0.000 1.176 334 A CA 1.813 53.802 52.037 -0.081 0.000 0.631 334 A CB -0.604 18.386 19.000 -0.018 0.000 0.814 334 A HN 0.617 nan 8.150 nan 0.000 0.446 335 E N -0.760 119.319 120.200 -0.202 0.000 2.204 335 E HA -0.114 4.244 4.350 0.014 0.000 0.194 335 E C 1.676 178.052 176.600 -0.374 0.000 0.989 335 E CA 0.767 57.038 56.400 -0.214 0.000 0.824 335 E CB -0.183 29.432 29.700 -0.142 0.000 0.756 335 E HN 0.491 nan 8.360 nan 0.000 0.477 336 L N 0.299 121.149 121.223 -0.622 0.000 2.168 336 L HA 0.027 4.375 4.340 0.014 0.000 0.203 336 L C 2.265 178.590 176.870 -0.908 0.000 1.078 336 L CA 0.725 54.950 54.840 -1.025 0.000 0.780 336 L CB -0.518 40.564 42.059 -1.628 0.000 0.939 336 L HN 0.028 nan 8.230 nan 0.000 0.451 337 I N 0.814 121.109 120.570 -0.458 0.000 2.113 337 I HA -0.288 3.890 4.170 0.014 0.000 0.242 337 I C -0.444 175.744 176.117 0.119 0.000 1.064 337 I CA 1.903 63.222 61.300 0.032 0.000 1.320 337 I CB -1.216 36.891 38.000 0.177 0.000 1.028 337 I HN 0.249 nan 8.210 nan 0.000 0.406 338 P HA -0.117 nan 4.420 nan 0.000 0.223 338 P C 1.909 179.184 177.300 -0.040 0.000 1.151 338 P CA 1.374 64.473 63.100 -0.003 0.000 0.787 338 P CB -0.010 31.666 31.700 -0.042 0.000 0.788 339 L N -1.628 119.506 121.223 -0.149 0.000 1.988 339 L HA -0.114 4.235 4.340 0.014 0.000 0.207 339 L C 2.874 179.696 176.870 -0.080 0.000 1.071 339 L CA 1.674 56.405 54.840 -0.181 0.000 0.744 339 L CB -1.213 40.650 42.059 -0.327 0.000 0.893 339 L HN 0.025 nan 8.230 nan 0.000 0.433 340 W N 0.796 122.037 121.300 -0.099 0.000 2.335 340 W HA -0.199 4.470 4.660 0.014 0.000 0.311 340 W C 2.654 179.160 176.519 -0.022 0.000 1.213 340 W CA 0.842 58.107 57.345 -0.134 0.000 1.274 340 W CB -1.184 28.095 29.460 -0.302 0.000 1.148 340 W HN 0.336 nan 8.180 nan 0.000 0.498 341 Q N -0.664 119.371 119.800 0.391 0.000 2.077 341 Q HA -0.168 4.180 4.340 0.014 0.000 0.206 341 Q C 2.490 178.506 176.000 0.027 0.000 0.989 341 Q CA 1.971 57.888 55.803 0.189 0.000 0.853 341 Q CB -1.010 27.787 28.738 0.099 0.000 0.907 341 Q HN 0.332 nan 8.270 nan 0.000 0.418 342 G N 0.191 108.980 108.800 -0.018 0.000 2.448 342 G HA2 -0.178 3.790 3.960 0.014 0.000 0.219 342 G HA3 -0.178 3.790 3.960 0.014 0.000 0.219 342 G C 1.315 176.138 174.900 -0.128 0.000 1.127 342 G CA 0.778 45.837 45.100 -0.068 0.000 0.766 342 G HN 0.421 nan 8.290 nan 0.000 0.552 343 A N -0.502 122.171 122.820 -0.245 0.000 2.169 343 A HA 0.455 4.783 4.320 0.014 0.000 0.212 343 A C 2.083 179.455 177.584 -0.352 0.000 1.153 343 A CA 1.366 53.140 52.037 -0.438 0.000 0.756 343 A CB -0.331 18.084 19.000 -0.976 0.000 0.813 343 A HN 1.554 nan 8.150 nan 0.000 0.471 344 G N -2.436 106.258 108.800 -0.176 0.000 2.157 344 G HA2 -0.246 3.722 3.960 0.014 0.000 0.239 344 G HA3 -0.246 3.722 3.960 0.014 0.000 0.239 344 G C -0.136 174.849 174.900 0.142 0.000 0.982 344 G CA 0.064 45.155 45.100 -0.015 0.000 0.650 344 G HN 0.335 nan 8.290 nan 0.000 0.527 345 Y N 1.108 121.481 120.300 0.122 0.000 2.632 345 Y HA 0.453 5.011 4.550 0.014 0.000 0.329 345 Y C 1.053 177.164 175.900 0.352 0.000 1.174 345 Y CA -0.653 57.561 58.100 0.190 0.000 1.469 345 Y CB 0.352 38.708 38.460 -0.173 0.000 1.242 345 Y HN 0.521 nan 8.280 nan 0.000 0.540 346 A N 6.614 129.771 122.820 0.563 0.000 2.347 346 A HA 0.634 4.962 4.320 0.014 0.000 0.287 346 A C -0.678 177.290 177.584 0.640 0.000 1.199 346 A CA -0.192 52.105 52.037 0.433 0.000 0.851 346 A CB -0.798 18.395 19.000 0.321 0.000 1.118 346 A HN 0.671 nan 8.150 nan 0.000 0.525 347 F N -0.172 119.969 119.950 0.319 0.000 2.773 347 F HA 0.665 5.200 4.527 0.014 0.000 0.314 347 F C -1.502 174.408 175.800 0.183 0.000 1.160 347 F CA -1.472 56.715 58.000 0.311 0.000 0.920 347 F CB 1.056 40.318 39.000 0.436 0.000 1.323 347 F HN 0.374 nan 8.300 nan 0.000 0.457 348 D N 0.821 121.354 120.400 0.223 0.000 2.481 348 D HA 0.316 4.965 4.640 0.014 0.000 0.246 348 D C 0.464 176.862 176.300 0.163 0.000 1.109 348 D CA -0.285 53.742 54.000 0.044 0.000 0.845 348 D CB 1.677 42.511 40.800 0.056 0.000 1.160 348 D HN 0.648 nan 8.370 nan 0.000 0.534 349 E N 2.087 122.358 120.200 0.118 0.000 2.136 349 E HA -0.293 4.065 4.350 0.014 0.000 0.202 349 E C 1.052 177.700 176.600 0.080 0.000 1.019 349 E CA 1.215 57.734 56.400 0.198 0.000 0.819 349 E CB 0.336 30.110 29.700 0.124 0.000 0.739 349 E HN 0.660 nan 8.360 nan 0.000 0.458 350 E N 0.370 120.593 120.200 0.037 0.000 2.057 350 E HA -0.076 4.283 4.350 0.014 0.000 0.190 350 E C 2.262 178.861 176.600 -0.002 0.000 0.969 350 E CA 0.097 56.501 56.400 0.007 0.000 0.812 350 E CB 0.159 29.861 29.700 0.004 0.000 0.777 350 E HN 0.006 nan 8.360 nan 0.000 0.455 351 R N 0.354 120.866 120.500 0.021 0.000 2.066 351 R HA -0.096 4.253 4.340 0.014 0.000 0.232 351 R C 1.065 177.378 176.300 0.022 0.000 1.131 351 R CA 1.601 57.721 56.100 0.033 0.000 0.955 351 R CB 0.015 30.354 30.300 0.065 0.000 0.851 351 R HN 0.199 nan 8.270 nan 0.000 0.432 352 D N -0.254 120.145 120.400 -0.001 0.000 2.328 352 D HA -0.028 4.620 4.640 0.014 0.000 0.226 352 D C 1.459 177.405 176.300 -0.589 0.000 1.066 352 D CA 0.075 53.960 54.000 -0.192 0.000 0.861 352 D CB 0.087 40.837 40.800 -0.084 0.000 0.912 352 D HN 0.176 nan 8.370 nan 0.000 0.521 353 R N 0.954 121.287 120.500 -0.278 0.000 2.112 353 R HA -0.167 4.181 4.340 0.014 0.000 0.242 353 R C -0.738 175.413 176.300 -0.248 0.000 1.137 353 R CA 1.687 57.643 56.100 -0.241 0.000 0.944 353 R CB -0.813 29.412 30.300 -0.126 0.000 0.857 353 R HN 0.135 nan 8.270 nan 0.000 0.435 354 P HA -0.216 nan 4.420 nan 0.000 0.216 354 P C 0.916 178.244 177.300 0.046 0.000 1.153 354 P CA 1.669 64.749 63.100 -0.033 0.000 0.858 354 P CB -0.543 31.168 31.700 0.018 0.000 0.789 355 W N -0.815 120.471 121.300 -0.023 0.000 2.576 355 W HA 0.092 4.761 4.660 0.014 0.000 0.270 355 W C 1.420 177.857 176.519 -0.136 0.000 1.255 355 W CA 0.163 57.449 57.345 -0.099 0.000 1.314 355 W CB -1.447 27.899 29.460 -0.190 0.000 1.101 355 W HN -0.107 nan 8.180 nan 0.000 0.595 356 L N 0.312 121.071 121.223 -0.773 0.000 2.046 356 L HA -0.221 4.127 4.340 0.014 0.000 0.208 356 L C 2.752 179.580 176.870 -0.068 0.000 1.077 356 L CA 1.906 56.377 54.840 -0.616 0.000 0.747 356 L CB -1.056 40.625 42.059 -0.629 0.000 0.896 356 L HN -0.123 nan 8.230 nan 0.000 0.432 357 F N 1.337 121.191 119.950 -0.160 0.000 2.051 357 F HA -0.263 4.272 4.527 0.014 0.000 0.296 357 F C 2.256 178.056 175.800 0.000 0.000 1.122 357 F CA 1.890 59.865 58.000 -0.043 0.000 1.201 357 F CB -0.354 38.618 39.000 -0.046 0.000 0.978 357 F HN 0.114 nan 8.300 nan 0.000 0.472 358 D N 0.407 120.864 120.400 0.094 0.000 2.149 358 D HA -0.224 4.424 4.640 0.014 0.000 0.194 358 D C 2.229 178.474 176.300 -0.092 0.000 1.001 358 D CA 1.523 55.515 54.000 -0.013 0.000 0.849 358 D CB -0.760 40.079 40.800 0.065 0.000 0.939 358 D HN 0.297 nan 8.370 nan 0.000 0.449 359 L N 0.742 121.912 121.223 -0.089 0.000 2.046 359 L HA -0.085 4.263 4.340 0.014 0.000 0.208 359 L C 2.132 179.017 176.870 0.025 0.000 1.077 359 L CA 1.846 56.587 54.840 -0.164 0.000 0.747 359 L CB -0.957 40.945 42.059 -0.262 0.000 0.896 359 L HN 0.001 nan 8.230 nan 0.000 0.432 360 A N -0.760 122.120 122.820 0.101 0.000 1.865 360 A HA -0.331 3.997 4.320 0.014 0.000 0.217 360 A C 2.265 179.937 177.584 0.145 0.000 1.191 360 A CA 2.000 54.129 52.037 0.154 0.000 0.623 360 A CB -0.901 18.103 19.000 0.008 0.000 0.826 360 A HN 0.633 nan 8.150 nan 0.000 0.444 361 Q N -0.508 119.217 119.800 -0.125 0.000 2.096 361 Q HA -0.217 4.131 4.340 0.014 0.000 0.208 361 Q C 1.839 177.802 176.000 -0.061 0.000 0.993 361 Q CA 2.279 57.982 55.803 -0.167 0.000 0.862 361 Q CB -0.554 28.019 28.738 -0.276 0.000 0.915 361 Q HN 0.539 nan 8.270 nan 0.000 0.416 362 L N -0.739 120.457 121.223 -0.044 0.000 2.005 362 L HA -0.086 4.262 4.340 0.014 0.000 0.207 362 L C 1.959 178.855 176.870 0.043 0.000 1.072 362 L CA 1.527 56.356 54.840 -0.019 0.000 0.744 362 L CB -0.595 41.418 42.059 -0.077 0.000 0.895 362 L HN 0.373 nan 8.230 nan 0.000 0.433 363 L N -0.523 120.766 121.223 0.109 0.000 2.217 363 L HA -0.127 4.221 4.340 0.014 0.000 0.211 363 L C 2.516 179.493 176.870 0.178 0.000 1.107 363 L CA 1.407 56.360 54.840 0.188 0.000 0.783 363 L CB -1.038 41.195 42.059 0.290 0.000 0.919 363 L HN 0.486 nan 8.230 nan 0.000 0.442 364 Q N 0.091 119.977 119.800 0.144 0.000 1.998 364 Q HA -0.241 4.108 4.340 0.014 0.000 0.209 364 Q C -0.506 175.386 176.000 -0.178 0.000 1.002 364 Q CA 2.738 58.423 55.803 -0.196 0.000 0.858 364 Q CB -0.922 27.535 28.738 -0.469 0.000 0.932 364 Q HN 0.287 nan 8.270 nan 0.000 0.416 365 P HA -0.103 nan 4.420 nan 0.000 0.222 365 P C 0.171 177.435 177.300 -0.059 0.000 1.142 365 P CA 1.812 64.853 63.100 -0.098 0.000 0.788 365 P CB -0.122 31.542 31.700 -0.060 0.000 0.767 366 G N -1.691 107.101 108.800 -0.014 0.000 4.238 366 G HA2 0.321 4.289 3.960 0.014 0.000 0.292 366 G HA3 0.321 4.289 3.960 0.014 0.000 0.292 366 G C -0.336 174.591 174.900 0.045 0.000 1.036 366 G CA -0.168 44.943 45.100 0.019 0.000 0.812 366 G HN 0.108 nan 8.290 nan 0.000 0.489 367 L N 0.781 122.024 121.223 0.033 0.000 2.282 367 L HA 0.357 4.706 4.340 0.014 0.000 0.288 367 L C 0.560 177.452 176.870 0.037 0.000 1.033 367 L CA -0.902 53.975 54.840 0.061 0.000 0.807 367 L CB 1.558 43.683 42.059 0.109 0.000 1.209 367 L HN -0.018 nan 8.230 nan 0.000 0.423 368 N N 0.839 119.573 118.700 0.056 0.000 2.333 368 N HA -0.014 4.734 4.740 0.014 0.000 0.178 368 N C 0.608 176.136 175.510 0.031 0.000 1.018 368 N CA 0.623 53.722 53.050 0.081 0.000 0.882 368 N CB 0.440 39.005 38.487 0.131 0.000 0.984 368 N HN 0.752 nan 8.380 nan 0.000 0.434 369 T N -3.034 111.490 114.554 -0.050 0.000 2.906 369 T HA 0.450 4.808 4.350 0.014 0.000 0.295 369 T C 1.240 175.899 174.700 -0.068 0.000 1.075 369 T CA -0.735 61.242 62.100 -0.204 0.000 1.005 369 T CB 1.358 69.990 68.868 -0.393 0.000 1.136 369 T HN -0.157 nan 8.240 nan 0.000 0.498 370 L N 0.581 121.765 121.223 -0.065 0.000 2.083 370 L HA -0.067 4.281 4.340 0.014 0.000 0.209 370 L C 3.001 179.833 176.870 -0.063 0.000 1.083 370 L CA 0.990 55.821 54.840 -0.016 0.000 0.752 370 L CB -0.414 41.631 42.059 -0.023 0.000 0.899 370 L HN 0.632 nan 8.230 nan 0.000 0.433 371 R N 0.504 120.955 120.500 -0.081 0.000 2.159 371 R HA -0.180 4.168 4.340 0.014 0.000 0.237 371 R C 1.811 178.112 176.300 0.002 0.000 1.131 371 R CA 1.044 57.110 56.100 -0.058 0.000 0.982 371 R CB -0.605 29.659 30.300 -0.060 0.000 0.868 371 R HN 0.560 nan 8.270 nan 0.000 0.453 372 E N 0.498 120.711 120.200 0.022 0.000 2.333 372 E HA -0.108 4.250 4.350 0.014 0.000 0.198 372 E C 1.661 178.357 176.600 0.160 0.000 1.007 372 E CA 0.830 57.280 56.400 0.084 0.000 0.845 372 E CB -0.030 29.718 29.700 0.080 0.000 0.766 372 E HN 0.322 nan 8.360 nan 0.000 0.507 373 A N 0.668 123.579 122.820 0.153 0.000 2.168 373 A HA -0.082 4.246 4.320 0.014 0.000 0.215 373 A C 1.940 179.855 177.584 0.552 0.000 1.152 373 A CA 0.524 52.744 52.037 0.305 0.000 0.716 373 A CB -0.292 18.753 19.000 0.075 0.000 0.794 373 A HN 0.121 nan 8.150 nan 0.000 0.465 374 I N 0.030 120.817 120.570 0.362 0.000 2.130 374 I HA -0.228 3.950 4.170 0.014 0.000 0.234 374 I C 1.938 178.347 176.117 0.487 0.000 1.067 374 I CA 1.881 63.451 61.300 0.450 0.000 1.339 374 I CB -0.533 37.567 38.000 0.168 0.000 1.073 374 I HN 0.263 nan 8.210 nan 0.000 0.405 375 D N 0.246 120.830 120.400 0.306 0.000 2.144 375 D HA -0.195 4.453 4.640 0.014 0.000 0.199 375 D C 2.077 178.534 176.300 0.262 0.000 0.984 375 D CA 0.888 55.043 54.000 0.257 0.000 0.834 375 D CB -0.175 40.724 40.800 0.165 0.000 0.955 375 D HN 0.375 nan 8.370 nan 0.000 0.465 376 Q N -0.217 119.756 119.800 0.288 0.000 2.435 376 Q HA 0.054 4.402 4.340 0.014 0.000 0.207 376 Q C 1.965 178.203 176.000 0.397 0.000 0.956 376 Q CA 0.867 56.849 55.803 0.298 0.000 0.917 376 Q CB 0.243 29.146 28.738 0.275 0.000 0.997 376 Q HN 0.385 nan 8.270 nan 0.000 0.497 377 G N -0.164 108.909 108.800 0.455 0.000 2.796 377 G HA2 0.094 4.062 3.960 0.014 0.000 0.210 377 G HA3 0.094 4.062 3.960 0.014 0.000 0.210 377 G C 1.390 176.447 174.900 0.262 0.000 1.146 377 G CA 0.508 45.886 45.100 0.464 0.000 0.779 377 G HN 0.320 nan 8.290 nan 0.000 0.535 378 A N 0.677 123.587 122.820 0.149 0.000 1.915 378 A HA -0.136 4.192 4.320 0.014 0.000 0.220 378 A C 2.518 180.047 177.584 -0.093 0.000 1.198 378 A CA 2.026 54.053 52.037 -0.018 0.000 0.647 378 A CB -0.937 18.153 19.000 0.150 0.000 0.825 378 A HN 0.650 nan 8.150 nan 0.000 0.456 379 V N -1.538 118.286 119.914 -0.150 0.000 2.867 379 V HA -0.145 3.983 4.120 0.014 0.000 0.260 379 V C 1.744 177.511 176.094 -0.546 0.000 1.099 379 V CA 1.995 64.068 62.300 -0.379 0.000 1.122 379 V CB -0.701 30.821 31.823 -0.502 0.000 0.708 379 V HN 0.526 nan 8.190 nan 0.000 0.490 380 F N -2.020 117.806 119.950 -0.207 0.000 2.731 380 F HA 0.342 4.877 4.527 0.014 0.000 0.298 380 F C 1.475 176.776 175.800 -0.833 0.000 1.106 380 F CA 0.312 57.999 58.000 -0.521 0.000 1.329 380 F CB 0.004 38.616 39.000 -0.646 0.000 1.100 380 F HN 0.161 nan 8.300 nan 0.000 0.592 381 F N -0.708 119.102 119.950 -0.234 0.000 2.637 381 F HA 0.335 4.870 4.527 0.014 0.000 0.284 381 F C 0.852 176.717 175.800 0.109 0.000 1.105 381 F CA -0.408 57.461 58.000 -0.218 0.000 1.356 381 F CB 0.228 38.765 39.000 -0.772 0.000 1.096 381 F HN -0.365 nan 8.300 nan 0.000 0.616 382 I N 2.791 123.463 120.570 0.170 0.000 2.379 382 I HA 0.091 4.269 4.170 0.014 0.000 0.290 382 I C -1.497 174.630 176.117 0.017 0.000 1.063 382 I CA -1.601 59.775 61.300 0.126 0.000 1.351 382 I CB 1.053 39.090 38.000 0.062 0.000 1.410 382 I HN -0.107 nan 8.210 nan 0.000 0.505 383 P HA -0.100 nan 4.420 nan 0.000 0.214 383 P C 0.070 177.031 177.300 -0.565 0.000 1.163 383 P CA 0.918 63.473 63.100 -0.909 0.000 0.883 383 P CB 0.058 31.285 31.700 -0.789 0.000 0.788 384 S N -0.122 115.369 115.700 -0.349 0.000 2.565 384 S HA 0.407 4.885 4.470 0.014 0.000 0.274 384 S C 0.024 174.460 174.600 -0.274 0.000 1.309 384 S CA -0.836 57.189 58.200 -0.292 0.000 1.043 384 S CB 0.749 63.811 63.200 -0.229 0.000 0.939 384 S HN 0.012 nan 8.310 nan 0.000 0.504 385 V N 0.144 119.848 119.914 -0.351 0.000 2.459 385 V HA 0.772 4.901 4.120 0.014 0.000 0.295 385 V C 0.318 176.030 176.094 -0.637 0.000 1.029 385 V CA -0.738 61.307 62.300 -0.426 0.000 0.874 385 V CB 0.689 32.257 31.823 -0.424 0.000 0.985 385 V HN 1.038 nan 8.190 nan 0.000 0.438 386 T N 1.331 115.603 114.554 -0.470 0.000 2.837 386 T HA 0.715 5.073 4.350 0.014 0.000 0.285 386 T C -0.589 173.853 174.700 -0.429 0.000 0.984 386 T CA -0.348 61.483 62.100 -0.448 0.000 1.049 386 T CB 0.730 69.481 68.868 -0.195 0.000 0.947 386 T HN 0.395 nan 8.240 nan 0.000 0.472 387 F N 2.786 122.708 119.950 -0.047 0.000 2.410 387 F HA 0.366 4.901 4.527 0.014 0.000 0.348 387 F C 0.978 176.756 175.800 -0.037 0.000 1.106 387 F CA -1.197 56.774 58.000 -0.048 0.000 1.163 387 F CB 0.538 39.507 39.000 -0.052 0.000 1.129 387 F HN 0.698 nan 8.300 nan 0.000 0.516 388 D N -0.023 120.460 120.400 0.138 0.000 2.377 388 D HA 0.088 4.737 4.640 0.014 0.000 0.245 388 D C 1.160 177.500 176.300 0.067 0.000 1.196 388 D CA -0.274 53.770 54.000 0.074 0.000 0.962 388 D CB 0.478 41.304 40.800 0.044 0.000 1.127 388 D HN 0.459 nan 8.370 nan 0.000 0.471 389 S N -0.066 115.658 115.700 0.040 0.000 2.428 389 S HA -0.320 4.158 4.470 0.014 0.000 0.240 389 S C 1.405 176.010 174.600 0.008 0.000 1.036 389 S CA 1.480 59.694 58.200 0.024 0.000 1.009 389 S CB -0.635 62.576 63.200 0.019 0.000 0.803 389 S HN 0.668 nan 8.310 nan 0.000 0.486 390 E N 1.102 121.306 120.200 0.006 0.000 2.140 390 E HA 0.206 4.564 4.350 0.014 0.000 0.191 390 E C 2.421 178.998 176.600 -0.039 0.000 0.973 390 E CA 0.590 56.978 56.400 -0.019 0.000 0.829 390 E CB -0.255 29.431 29.700 -0.024 0.000 0.781 390 E HN 0.646 nan 8.360 nan 0.000 0.466 391 A N 0.928 123.739 122.820 -0.014 0.000 1.898 391 A HA -0.178 4.151 4.320 0.014 0.000 0.216 391 A C 2.078 179.595 177.584 -0.113 0.000 1.181 391 A CA 1.198 53.219 52.037 -0.027 0.000 0.620 391 A CB -0.331 18.737 19.000 0.114 0.000 0.819 391 A HN 0.153 nan 8.150 nan 0.000 0.442 392 M N -0.083 119.480 119.600 -0.061 0.000 2.159 392 M HA -0.026 4.462 4.480 0.014 0.000 0.263 392 M C 2.100 178.332 176.300 -0.112 0.000 1.063 392 M CA 1.626 56.861 55.300 -0.109 0.000 1.110 392 M CB -0.373 32.218 32.600 -0.015 0.000 1.374 392 M HN 0.397 nan 8.290 nan 0.000 0.411 393 A N -1.392 121.383 122.820 -0.075 0.000 2.016 393 A HA -0.113 4.215 4.320 0.014 0.000 0.217 393 A C 1.971 179.505 177.584 -0.082 0.000 1.162 393 A CA 1.373 53.371 52.037 -0.066 0.000 0.662 393 A CB -0.591 18.384 19.000 -0.042 0.000 0.812 393 A HN 0.527 nan 8.150 nan 0.000 0.450 394 Q N 0.362 120.103 119.800 -0.098 0.000 2.016 394 Q HA -0.040 4.309 4.340 0.014 0.000 0.200 394 Q C 1.749 177.670 176.000 -0.131 0.000 0.978 394 Q CA 1.780 57.519 55.803 -0.107 0.000 0.833 394 Q CB -0.558 28.111 28.738 -0.115 0.000 0.895 394 Q HN 0.609 nan 8.270 nan 0.000 0.427 395 L N -0.483 120.627 121.223 -0.188 0.000 2.265 395 L HA -0.016 4.333 4.340 0.014 0.000 0.215 395 L C 2.070 178.844 176.870 -0.160 0.000 1.117 395 L CA 0.847 55.557 54.840 -0.217 0.000 0.782 395 L CB -0.583 41.254 42.059 -0.371 0.000 0.914 395 L HN 0.384 nan 8.230 nan 0.000 0.441 396 G N -1.335 107.386 108.800 -0.132 0.000 2.744 396 G HA2 -0.077 3.891 3.960 0.014 0.000 0.211 396 G HA3 -0.077 3.891 3.960 0.014 0.000 0.211 396 G C 0.801 175.657 174.900 -0.073 0.000 1.143 396 G CA -0.208 44.836 45.100 -0.093 0.000 0.788 396 G HN 0.185 nan 8.290 nan 0.000 0.534 397 Q N 0.372 120.126 119.800 -0.076 0.000 2.364 397 Q HA 0.079 4.427 4.340 0.014 0.000 0.267 397 Q C -1.182 174.786 176.000 -0.054 0.000 0.999 397 Q CA -1.470 54.297 55.803 -0.059 0.000 0.886 397 Q CB 1.495 30.197 28.738 -0.060 0.000 1.243 397 Q HN 0.128 nan 8.270 nan 0.000 0.415 398 P HA -0.202 nan 4.420 nan 0.000 0.217 398 P C 0.563 177.842 177.300 -0.036 0.000 1.151 398 P CA 1.502 64.581 63.100 -0.036 0.000 0.849 398 P CB 0.463 32.145 31.700 -0.029 0.000 0.787 399 Q N -1.317 118.460 119.800 -0.038 0.000 2.319 399 Q HA 0.165 4.514 4.340 0.014 0.000 0.202 399 Q C 2.024 178.000 176.000 -0.040 0.000 0.896 399 Q CA 0.164 55.946 55.803 -0.035 0.000 0.942 399 Q CB -0.091 28.627 28.738 -0.035 0.000 1.083 399 Q HN 0.232 nan 8.270 nan 0.000 0.510 400 S N 1.384 117.052 115.700 -0.053 0.000 2.359 400 S HA -0.179 4.299 4.470 0.014 0.000 0.224 400 S C 1.990 176.558 174.600 -0.053 0.000 1.035 400 S CA 1.278 59.438 58.200 -0.066 0.000 1.018 400 S CB -0.061 63.083 63.200 -0.094 0.000 0.876 400 S HN 0.551 nan 8.310 nan 0.000 0.448 401 A N 1.283 124.075 122.820 -0.046 0.000 1.908 401 A HA -0.145 4.183 4.320 0.014 0.000 0.218 401 A C 2.330 179.912 177.584 -0.002 0.000 1.181 401 A CA 2.157 54.176 52.037 -0.030 0.000 0.627 401 A CB -1.370 17.613 19.000 -0.027 0.000 0.818 401 A HN 0.506 nan 8.150 nan 0.000 0.445 402 T N 0.276 114.832 114.554 0.002 0.000 2.746 402 T HA -0.081 4.277 4.350 0.014 0.000 0.267 402 T C 1.789 176.523 174.700 0.056 0.000 1.039 402 T CA 1.483 63.601 62.100 0.030 0.000 1.142 402 T CB -0.409 68.467 68.868 0.013 0.000 0.866 402 T HN 0.444 nan 8.240 nan 0.000 0.444 403 I N 0.756 121.338 120.570 0.019 0.000 2.113 403 I HA -0.143 4.035 4.170 0.014 0.000 0.238 403 I C 2.315 178.471 176.117 0.065 0.000 1.070 403 I CA 1.286 62.600 61.300 0.024 0.000 1.332 403 I CB -0.505 37.479 38.000 -0.027 0.000 1.044 403 I HN 0.153 nan 8.210 nan 0.000 0.402 404 L N 0.722 121.956 121.223 0.018 0.000 2.013 404 L HA -0.262 4.086 4.340 0.014 0.000 0.212 404 L C 2.821 179.723 176.870 0.054 0.000 1.073 404 L CA 1.664 56.511 54.840 0.012 0.000 0.753 404 L CB -0.875 41.169 42.059 -0.027 0.000 0.890 404 L HN 0.284 nan 8.230 nan 0.000 0.432 405 A N -1.165 121.692 122.820 0.061 0.000 1.972 405 A HA -0.275 4.054 4.320 0.014 0.000 0.219 405 A C 2.198 179.847 177.584 0.108 0.000 1.169 405 A CA 1.573 53.649 52.037 0.064 0.000 0.635 405 A CB -0.850 18.183 19.000 0.054 0.000 0.810 405 A HN 0.495 nan 8.150 nan 0.000 0.446 406 Y N 0.260 120.605 120.300 0.076 0.000 2.163 406 Y HA -0.119 4.439 4.550 0.014 0.000 0.288 406 Y C 2.002 178.033 175.900 0.219 0.000 1.136 406 Y CA 1.802 59.996 58.100 0.158 0.000 1.147 406 Y CB -0.227 38.281 38.460 0.079 0.000 0.987 406 Y HN 0.222 nan 8.280 nan 0.000 0.509 407 L N -0.898 120.487 121.223 0.270 0.000 2.017 407 L HA -0.236 4.113 4.340 0.014 0.000 0.208 407 L C 2.375 179.332 176.870 0.145 0.000 1.073 407 L CA 1.129 56.102 54.840 0.221 0.000 0.745 407 L CB -0.763 41.368 42.059 0.121 0.000 0.894 407 L HN 0.293 nan 8.230 nan 0.000 0.432 408 L N 0.009 121.282 121.223 0.083 0.000 2.083 408 L HA -0.211 4.137 4.340 0.014 0.000 0.209 408 L C 2.316 179.180 176.870 -0.010 0.000 1.083 408 L CA 1.805 56.675 54.840 0.049 0.000 0.752 408 L CB -0.512 41.563 42.059 0.026 0.000 0.899 408 L HN 0.231 nan 8.230 nan 0.000 0.433 409 E N -1.836 118.310 120.200 -0.090 0.000 2.285 409 E HA -0.141 4.217 4.350 0.014 0.000 0.194 409 E C 0.894 177.218 176.600 -0.460 0.000 0.997 409 E CA 0.920 57.155 56.400 -0.275 0.000 0.845 409 E CB 0.019 29.494 29.700 -0.374 0.000 0.782 409 E HN 0.652 nan 8.360 nan 0.000 0.491 410 H N -0.741 118.224 119.070 -0.175 0.000 2.592 410 H HA 0.234 4.799 4.556 0.014 0.000 0.279 410 H C -0.315 175.009 175.328 -0.007 0.000 1.089 410 H CA -0.300 55.664 56.048 -0.141 0.000 1.150 410 H CB 0.383 29.973 29.762 -0.287 0.000 1.575 410 H HN -0.070 nan 8.280 nan 0.000 0.547 411 L N 2.797 124.094 121.223 0.122 0.000 2.455 411 L HA 0.159 4.507 4.340 0.014 0.000 0.272 411 L C -1.811 175.128 176.870 0.116 0.000 1.174 411 L CA -1.858 53.078 54.840 0.160 0.000 0.869 411 L CB 0.311 42.513 42.059 0.238 0.000 1.130 411 L HN 0.047 nan 8.230 nan 0.000 0.474 412 P HA 0.073 nan 4.420 nan 0.000 0.271 412 P C 0.098 177.499 177.300 0.169 0.000 1.218 412 P CA -0.213 62.935 63.100 0.080 0.000 0.780 412 P CB 1.089 32.795 31.700 0.010 0.000 0.901 413 A N 2.605 125.484 122.820 0.099 0.000 1.929 413 A HA -0.081 4.247 4.320 0.014 0.000 0.216 413 A C 0.813 178.443 177.584 0.076 0.000 1.176 413 A CA 0.607 52.687 52.037 0.072 0.000 0.628 413 A CB -0.955 18.065 19.000 0.033 0.000 0.816 413 A HN 0.717 nan 8.150 nan 0.000 0.444 414 E N 1.058 121.310 120.200 0.086 0.000 2.452 414 E HA 0.031 4.390 4.350 0.014 0.000 0.261 414 E C -1.853 174.815 176.600 0.114 0.000 0.987 414 E CA -0.936 55.507 56.400 0.071 0.000 0.926 414 E CB 0.255 29.982 29.700 0.046 0.000 0.934 414 E HN 0.254 nan 8.360 nan 0.000 0.452 415 P HA -0.142 nan 4.420 nan 0.000 0.216 415 P C 0.218 177.600 177.300 0.138 0.000 1.150 415 P CA 1.284 64.407 63.100 0.038 0.000 0.837 415 P CB 0.128 31.838 31.700 0.016 0.000 0.786 416 A N 0.731 123.608 122.820 0.096 0.000 2.276 416 A HA 0.417 4.745 4.320 0.014 0.000 0.300 416 A C -0.409 177.169 177.584 -0.011 0.000 1.235 416 A CA -0.474 51.596 52.037 0.056 0.000 0.867 416 A CB -0.284 18.728 19.000 0.021 0.000 1.137 416 A HN 0.152 nan 8.150 nan 0.000 0.527 417 L N 4.355 125.515 121.223 -0.105 0.000 2.255 417 L HA 0.435 4.783 4.340 0.014 0.000 0.289 417 L C 0.825 177.546 176.870 -0.248 0.000 1.046 417 L CA 0.155 54.794 54.840 -0.334 0.000 0.816 417 L CB 0.688 42.316 42.059 -0.719 0.000 1.197 417 L HN 0.769 nan 8.230 nan 0.000 0.427 418 T N 1.329 115.770 114.554 -0.190 0.000 2.856 418 T HA 0.140 4.498 4.350 0.014 0.000 0.306 418 T C 1.461 176.071 174.700 -0.150 0.000 1.062 418 T CA -0.372 61.651 62.100 -0.128 0.000 1.083 418 T CB 0.885 69.702 68.868 -0.084 0.000 0.984 418 T HN 0.349 nan 8.240 nan 0.000 0.542 419 V N 1.924 121.785 119.914 -0.088 0.000 2.515 419 V HA -0.116 4.012 4.120 0.014 0.000 0.250 419 V C 2.960 179.024 176.094 -0.050 0.000 1.058 419 V CA 2.061 64.325 62.300 -0.062 0.000 1.064 419 V CB -1.662 30.150 31.823 -0.019 0.000 0.675 419 V HN 1.096 nan 8.190 nan 0.000 0.461 420 A N -0.151 122.641 122.820 -0.046 0.000 1.851 420 A HA -0.311 4.018 4.320 0.014 0.000 0.216 420 A C 2.194 179.752 177.584 -0.044 0.000 1.195 420 A CA 2.557 54.575 52.037 -0.032 0.000 0.622 420 A CB -0.628 18.357 19.000 -0.025 0.000 0.831 420 A HN 0.452 nan 8.150 nan 0.000 0.444 421 M N 0.428 119.980 119.600 -0.081 0.000 2.106 421 M HA -0.098 4.390 4.480 0.014 0.000 0.259 421 M C 1.923 178.149 176.300 -0.122 0.000 1.068 421 M CA 1.970 57.209 55.300 -0.101 0.000 1.100 421 M CB -0.905 31.604 32.600 -0.151 0.000 1.351 421 M HN 0.367 nan 8.290 nan 0.000 0.404 422 G N -0.850 107.824 108.800 -0.209 0.000 2.421 422 G HA2 -0.206 3.762 3.960 0.014 0.000 0.216 422 G HA3 -0.206 3.762 3.960 0.014 0.000 0.216 422 G C 1.378 176.355 174.900 0.128 0.000 1.171 422 G CA 0.650 45.633 45.100 -0.195 0.000 0.775 422 G HN 0.509 nan 8.290 nan 0.000 0.543 423 Q N 0.130 119.973 119.800 0.071 0.000 2.119 423 Q HA -0.073 4.275 4.340 0.014 0.000 0.201 423 Q C 2.587 178.632 176.000 0.075 0.000 0.972 423 Q CA 1.047 56.902 55.803 0.087 0.000 0.847 423 Q CB -0.398 28.369 28.738 0.049 0.000 0.903 423 Q HN 0.615 nan 8.270 nan 0.000 0.433 424 Q N 0.261 120.093 119.800 0.054 0.000 2.061 424 Q HA -0.121 4.227 4.340 0.014 0.000 0.204 424 Q C 2.296 178.348 176.000 0.086 0.000 0.984 424 Q CA 1.056 56.888 55.803 0.049 0.000 0.846 424 Q CB -0.084 28.674 28.738 0.034 0.000 0.902 424 Q HN 0.328 nan 8.270 nan 0.000 0.421 425 L N 0.153 121.467 121.223 0.152 0.000 2.017 425 L HA -0.209 4.140 4.340 0.014 0.000 0.208 425 L C 2.426 179.417 176.870 0.201 0.000 1.073 425 L CA 0.920 55.910 54.840 0.251 0.000 0.745 425 L CB -0.726 41.575 42.059 0.404 0.000 0.894 425 L HN 0.355 nan 8.230 nan 0.000 0.432 426 I N -1.541 119.144 120.570 0.192 0.000 2.179 426 I HA -0.307 3.872 4.170 0.014 0.000 0.242 426 I C 2.552 178.675 176.117 0.011 0.000 1.088 426 I CA 1.733 63.088 61.300 0.092 0.000 1.357 426 I CB -0.980 37.075 38.000 0.092 0.000 1.051 426 I HN 0.276 nan 8.210 nan 0.000 0.409 427 Q N 0.146 119.953 119.800 0.012 0.000 2.061 427 Q HA -0.261 4.087 4.340 0.014 0.000 0.204 427 Q C 2.290 178.228 176.000 -0.104 0.000 0.984 427 Q CA 1.948 57.731 55.803 -0.033 0.000 0.846 427 Q CB -0.189 28.541 28.738 -0.012 0.000 0.902 427 Q HN 0.626 nan 8.270 nan 0.000 0.421 428 Q N -0.394 119.328 119.800 -0.131 0.000 2.172 428 Q HA -0.032 4.317 4.340 0.014 0.000 0.200 428 Q C 1.963 177.518 176.000 -0.742 0.000 0.964 428 Q CA 1.308 56.910 55.803 -0.334 0.000 0.855 428 Q CB -0.230 28.386 28.738 -0.204 0.000 0.918 428 Q HN 0.532 nan 8.270 nan 0.000 0.444 429 A N 0.748 123.259 122.820 -0.514 0.000 2.014 429 A HA 0.044 4.372 4.320 0.014 0.000 0.218 429 A C 2.241 179.665 177.584 -0.267 0.000 1.163 429 A CA 1.463 53.244 52.037 -0.427 0.000 0.652 429 A CB -0.359 18.624 19.000 -0.028 0.000 0.808 429 A HN 0.325 nan 8.150 nan 0.000 0.449 430 A N 0.131 122.834 122.820 -0.195 0.000 1.854 430 A HA -0.076 4.252 4.320 0.014 0.000 0.214 430 A C 2.079 179.575 177.584 -0.146 0.000 1.192 430 A CA 1.559 53.518 52.037 -0.130 0.000 0.611 430 A CB -0.415 18.533 19.000 -0.086 0.000 0.832 430 A HN 0.472 nan 8.150 nan 0.000 0.442 431 K N -0.117 120.175 120.400 -0.180 0.000 2.063 431 K HA -0.137 4.192 4.320 0.014 0.000 0.208 431 K C 2.228 178.726 176.600 -0.170 0.000 1.048 431 K CA 1.229 57.421 56.287 -0.158 0.000 0.928 431 K CB -0.345 32.058 32.500 -0.161 0.000 0.713 431 K HN 0.447 nan 8.250 nan 0.000 0.442 432 A N 1.155 123.814 122.820 -0.268 0.000 1.933 432 A HA -0.086 4.243 4.320 0.014 0.000 0.218 432 A C 2.234 179.758 177.584 -0.099 0.000 1.175 432 A CA 1.863 53.783 52.037 -0.195 0.000 0.628 432 A CB -0.414 18.416 19.000 -0.283 0.000 0.814 432 A HN 0.349 nan 8.150 nan 0.000 0.444 433 A N -2.300 120.459 122.820 -0.102 0.000 2.095 433 A HA 0.432 4.760 4.320 0.014 0.000 0.212 433 A C 1.750 179.303 177.584 -0.051 0.000 1.162 433 A CA 1.213 53.215 52.037 -0.060 0.000 0.753 433 A CB -0.551 18.416 19.000 -0.056 0.000 0.840 433 A HN 1.896 nan 8.150 nan 0.000 0.468 434 G N -0.774 107.989 108.800 -0.061 0.000 2.142 434 G HA2 -0.045 3.924 3.960 0.014 0.000 0.225 434 G HA3 -0.045 3.924 3.960 0.014 0.000 0.225 434 G C 0.220 175.094 174.900 -0.043 0.000 1.015 434 G CA 0.544 45.616 45.100 -0.048 0.000 0.716 434 G HN 1.701 nan 8.290 nan 0.000 0.508 435 V N -3.943 115.941 119.914 -0.051 0.000 3.166 435 V HA 0.907 5.035 4.120 0.014 0.000 0.317 435 V C 0.439 176.508 176.094 -0.042 0.000 1.136 435 V CA -1.686 60.589 62.300 -0.043 0.000 1.035 435 V CB 1.517 33.314 31.823 -0.044 0.000 1.110 435 V HN 0.263 nan 8.190 nan 0.000 0.450 436 K N 0.836 121.217 120.400 -0.032 0.000 2.126 436 K HA 0.414 4.742 4.320 0.014 0.000 0.257 436 K C 0.883 177.467 176.600 -0.026 0.000 1.007 436 K CA -0.755 55.517 56.287 -0.026 0.000 0.928 436 K CB 0.807 33.297 32.500 -0.017 0.000 1.013 436 K HN 0.576 nan 8.250 nan 0.000 0.473 437 K N 0.958 121.347 120.400 -0.019 0.000 2.103 437 K HA -0.153 4.176 4.320 0.014 0.000 0.207 437 K C 1.979 178.573 176.600 -0.009 0.000 1.048 437 K CA 1.699 57.978 56.287 -0.013 0.000 0.930 437 K CB -0.592 31.908 32.500 -0.001 0.000 0.716 437 K HN 0.917 nan 8.250 nan 0.000 0.444 438 G N 1.737 110.534 108.800 -0.004 0.000 2.459 438 G HA2 -0.270 3.699 3.960 0.014 0.000 0.217 438 G HA3 -0.270 3.699 3.960 0.014 0.000 0.217 438 G C 1.778 176.671 174.900 -0.012 0.000 1.183 438 G CA 1.400 46.501 45.100 0.002 0.000 0.776 438 G HN 0.403 nan 8.290 nan 0.000 0.552 439 A N -0.037 122.770 122.820 -0.021 0.000 1.972 439 A HA 0.018 4.347 4.320 0.014 0.000 0.219 439 A C 2.519 180.074 177.584 -0.049 0.000 1.169 439 A CA 2.409 54.425 52.037 -0.035 0.000 0.635 439 A CB -0.756 18.222 19.000 -0.035 0.000 0.810 439 A HN 0.327 nan 8.150 nan 0.000 0.446 440 T N 0.147 114.674 114.554 -0.046 0.000 2.701 440 T HA -0.114 4.244 4.350 0.014 0.000 0.263 440 T C 2.019 176.677 174.700 -0.071 0.000 1.040 440 T CA 1.558 63.623 62.100 -0.057 0.000 1.147 440 T CB -0.270 68.568 68.868 -0.049 0.000 0.865 440 T HN 0.354 nan 8.240 nan 0.000 0.426 441 M N 0.842 120.411 119.600 -0.051 0.000 2.108 441 M HA -0.086 4.403 4.480 0.014 0.000 0.261 441 M C 2.465 178.723 176.300 -0.069 0.000 1.066 441 M CA 1.500 56.769 55.300 -0.052 0.000 1.107 441 M CB -0.831 31.765 32.600 -0.006 0.000 1.356 441 M HN 0.158 nan 8.290 nan 0.000 0.406 442 R N -0.081 120.382 120.500 -0.062 0.000 2.096 442 R HA -0.105 4.244 4.340 0.014 0.000 0.235 442 R C 2.055 178.293 176.300 -0.103 0.000 1.127 442 R CA 1.894 57.944 56.100 -0.084 0.000 0.968 442 R CB -0.098 30.156 30.300 -0.076 0.000 0.861 442 R HN 0.325 nan 8.270 nan 0.000 0.440 443 T N 1.246 115.739 114.554 -0.102 0.000 2.821 443 T HA -0.122 4.236 4.350 0.014 0.000 0.267 443 T C 1.582 176.202 174.700 -0.134 0.000 1.046 443 T CA 1.026 63.057 62.100 -0.115 0.000 1.139 443 T CB -0.164 68.642 68.868 -0.103 0.000 0.871 443 T HN 0.135 nan 8.240 nan 0.000 0.454 444 L N 1.569 122.695 121.223 -0.162 0.000 2.027 444 L HA 0.064 4.412 4.340 0.014 0.000 0.206 444 L C 2.503 179.254 176.870 -0.199 0.000 1.074 444 L CA 1.734 56.427 54.840 -0.246 0.000 0.745 444 L CB -0.568 41.271 42.059 -0.367 0.000 0.898 444 L HN 0.025 nan 8.230 nan 0.000 0.433 445 R N 0.172 120.589 120.500 -0.138 0.000 2.094 445 R HA -0.171 4.178 4.340 0.014 0.000 0.239 445 R C 2.177 178.442 176.300 -0.058 0.000 1.137 445 R CA 1.962 58.010 56.100 -0.087 0.000 0.943 445 R CB -0.932 29.326 30.300 -0.069 0.000 0.850 445 R HN 0.476 nan 8.270 nan 0.000 0.433 446 A N 0.320 123.106 122.820 -0.057 0.000 1.908 446 A HA -0.117 4.211 4.320 0.014 0.000 0.218 446 A C 2.445 180.109 177.584 0.133 0.000 1.181 446 A CA 2.020 54.063 52.037 0.009 0.000 0.627 446 A CB -1.197 17.756 19.000 -0.079 0.000 0.818 446 A HN 0.585 nan 8.150 nan 0.000 0.445 447 A N -0.526 122.317 122.820 0.038 0.000 1.902 447 A HA 0.004 4.333 4.320 0.014 0.000 0.217 447 A C 2.134 179.760 177.584 0.070 0.000 1.181 447 A CA 1.529 53.626 52.037 0.100 0.000 0.623 447 A CB -0.495 18.482 19.000 -0.039 0.000 0.818 447 A HN 0.471 nan 8.150 nan 0.000 0.443 448 L N -0.837 120.364 121.223 -0.038 0.000 2.270 448 L HA -0.023 4.325 4.340 0.014 0.000 0.210 448 L C 2.487 179.295 176.870 -0.104 0.000 1.104 448 L CA 1.655 56.451 54.840 -0.073 0.000 0.804 448 L CB -0.253 41.740 42.059 -0.110 0.000 0.937 448 L HN 0.683 nan 8.230 nan 0.000 0.450 449 T N -5.901 108.605 114.554 -0.081 0.000 2.954 449 T HA 0.256 4.615 4.350 0.014 0.000 0.252 449 T C 1.423 176.066 174.700 -0.095 0.000 0.983 449 T CA 0.619 62.645 62.100 -0.124 0.000 0.941 449 T CB 1.072 69.879 68.868 -0.102 0.000 1.141 449 T HN 0.291 nan 8.240 nan 0.000 0.500 450 G N 1.426 110.226 108.800 -0.001 0.000 2.176 450 G HA2 0.099 4.068 3.960 0.014 0.000 0.253 450 G HA3 0.099 4.068 3.960 0.014 0.000 0.253 450 G C 0.230 175.178 174.900 0.080 0.000 0.979 450 G CA -0.057 45.073 45.100 0.050 0.000 0.641 450 G HN 1.341 nan 8.290 nan 0.000 0.530 451 A N -0.988 121.851 122.820 0.031 0.000 2.430 451 A HA 0.904 5.232 4.320 0.014 0.000 0.300 451 A C 1.286 178.840 177.584 -0.050 0.000 1.124 451 A CA 0.388 52.428 52.037 0.004 0.000 0.766 451 A CB 1.483 20.488 19.000 0.008 0.000 1.328 451 A HN 1.460 nan 8.150 nan 0.000 0.424 452 V N -2.119 117.717 119.914 -0.130 0.000 3.506 452 V HA 0.286 4.414 4.120 0.014 0.000 0.263 452 V C 0.353 176.126 176.094 -0.536 0.000 1.203 452 V CA 0.717 62.824 62.300 -0.323 0.000 1.133 452 V CB -1.092 30.494 31.823 -0.395 0.000 0.802 452 V HN 0.686 nan 8.190 nan 0.000 0.459 453 H N -0.268 118.814 119.070 0.021 0.000 2.851 453 H HA 0.847 5.412 4.556 0.014 0.000 0.372 453 H C 0.203 175.551 175.328 0.035 0.000 1.158 453 H CA 0.184 56.248 56.048 0.027 0.000 1.159 453 H CB 2.124 31.903 29.762 0.028 0.000 1.757 453 H HN 0.353 nan 8.280 nan 0.000 0.546 454 G N 1.276 110.185 108.800 0.182 0.000 2.441 454 G HA2 0.190 4.159 3.960 0.014 0.000 0.225 454 G HA3 0.190 4.159 3.960 0.014 0.000 0.225 454 G C -2.550 172.430 174.900 0.134 0.000 1.200 454 G CA -0.730 44.450 45.100 0.133 0.000 0.947 454 G HN 0.489 nan 8.290 nan 0.000 0.484 455 P HA 0.320 nan 4.420 nan 0.000 0.272 455 P C -0.769 176.623 177.300 0.154 0.000 1.230 455 P CA -0.141 63.058 63.100 0.165 0.000 0.788 455 P CB 0.588 32.434 31.700 0.242 0.000 0.949 456 D N 0.591 121.068 120.400 0.129 0.000 2.662 456 D HA -0.140 4.508 4.640 0.014 0.000 0.237 456 D C 1.039 177.430 176.300 0.151 0.000 1.154 456 D CA 0.013 54.084 54.000 0.118 0.000 0.861 456 D CB 0.248 41.102 40.800 0.091 0.000 1.146 456 D HN 0.204 nan 8.370 nan 0.000 0.518 457 L N 5.190 126.500 121.223 0.145 0.000 1.994 457 L HA -0.122 4.226 4.340 0.014 0.000 0.208 457 L C 2.048 179.065 176.870 0.245 0.000 1.071 457 L CA 1.727 56.666 54.840 0.164 0.000 0.745 457 L CB -0.719 41.409 42.059 0.115 0.000 0.892 457 L HN 0.651 nan 8.230 nan 0.000 0.431 458 M N -0.302 119.439 119.600 0.235 0.000 2.144 458 M HA -0.159 4.329 4.480 0.014 0.000 0.260 458 M C 2.122 178.539 176.300 0.196 0.000 1.067 458 M CA 2.059 57.515 55.300 0.261 0.000 1.095 458 M CB -0.807 31.889 32.600 0.160 0.000 1.365 458 M HN 0.380 nan 8.290 nan 0.000 0.406 459 A N -1.024 121.888 122.820 0.153 0.000 1.930 459 A HA 0.203 4.532 4.320 0.014 0.000 0.215 459 A C 2.314 179.990 177.584 0.153 0.000 1.176 459 A CA 1.537 53.638 52.037 0.108 0.000 0.632 459 A CB -1.213 17.826 19.000 0.065 0.000 0.819 459 A HN 0.561 nan 8.150 nan 0.000 0.445 460 A N -1.388 121.587 122.820 0.257 0.000 1.933 460 A HA -0.169 4.160 4.320 0.014 0.000 0.218 460 A C 1.975 179.820 177.584 0.436 0.000 1.175 460 A CA 1.653 53.961 52.037 0.452 0.000 0.628 460 A CB -0.763 18.503 19.000 0.444 0.000 0.814 460 A HN 0.819 nan 8.150 nan 0.000 0.444 461 W N 0.695 122.075 121.300 0.133 0.000 2.407 461 W HA -0.109 4.560 4.660 0.014 0.000 0.305 461 W C 2.250 178.822 176.519 0.089 0.000 1.196 461 W CA 1.545 58.947 57.345 0.094 0.000 1.311 461 W CB -0.887 28.608 29.460 0.058 0.000 1.135 461 W HN 0.502 nan 8.180 nan 0.000 0.514 462 Q N 0.013 119.884 119.800 0.118 0.000 2.077 462 Q HA -0.258 4.090 4.340 0.014 0.000 0.206 462 Q C 2.261 178.293 176.000 0.052 0.000 0.989 462 Q CA 2.651 58.451 55.803 -0.005 0.000 0.853 462 Q CB -0.624 28.106 28.738 -0.014 0.000 0.907 462 Q HN 0.340 nan 8.270 nan 0.000 0.418 463 I N 0.266 120.874 120.570 0.063 0.000 2.113 463 I HA -0.309 3.869 4.170 0.014 0.000 0.238 463 I C 2.110 178.149 176.117 -0.130 0.000 1.070 463 I CA 1.177 62.464 61.300 -0.023 0.000 1.332 463 I CB -0.242 37.684 38.000 -0.123 0.000 1.044 463 I HN 0.185 nan 8.210 nan 0.000 0.402 464 L N -0.404 120.835 121.223 0.026 0.000 2.191 464 L HA -0.248 4.100 4.340 0.014 0.000 0.212 464 L C 2.584 179.457 176.870 0.005 0.000 1.103 464 L CA 1.198 56.020 54.840 -0.031 0.000 0.769 464 L CB -0.846 41.313 42.059 0.167 0.000 0.908 464 L HN 0.319 nan 8.230 nan 0.000 0.438 465 H N 0.056 119.127 119.070 0.001 0.000 2.357 465 H HA -0.144 4.420 4.556 0.014 0.000 0.301 465 H C 2.358 177.635 175.328 -0.085 0.000 1.082 465 H CA 1.602 57.638 56.048 -0.020 0.000 1.342 465 H CB 0.166 29.867 29.762 -0.102 0.000 1.389 465 H HN 0.275 nan 8.280 nan 0.000 0.511 466 Q N -0.246 119.495 119.800 -0.099 0.000 2.170 466 Q HA -0.102 4.246 4.340 0.014 0.000 0.203 466 Q C 2.145 177.972 176.000 -0.287 0.000 0.976 466 Q CA 1.204 56.931 55.803 -0.127 0.000 0.858 466 Q CB 0.124 28.875 28.738 0.023 0.000 0.907 466 Q HN 0.445 nan 8.270 nan 0.000 0.433 467 R N -1.059 119.095 120.500 -0.577 0.000 2.193 467 R HA 0.007 4.356 4.340 0.014 0.000 0.213 467 R C 1.104 177.210 176.300 -0.324 0.000 1.055 467 R CA 0.781 56.415 56.100 -0.776 0.000 0.995 467 R CB 0.198 29.553 30.300 -1.574 0.000 0.893 467 R HN 0.382 nan 8.270 nan 0.000 0.459 468 G N -0.261 108.419 108.800 -0.199 0.000 2.137 468 G HA2 -0.193 3.776 3.960 0.014 0.000 0.237 468 G HA3 -0.193 3.776 3.960 0.014 0.000 0.237 468 G C 0.111 175.124 174.900 0.189 0.000 1.002 468 G CA 0.115 45.185 45.100 -0.050 0.000 0.702 468 G HN 0.334 nan 8.290 nan 0.000 0.515 469 W N 1.027 122.245 121.300 -0.136 0.000 2.812 469 W HA 0.190 4.859 4.660 0.014 0.000 0.263 469 W C 2.083 178.581 176.519 -0.036 0.000 1.284 469 W CA 0.753 58.033 57.345 -0.108 0.000 1.430 469 W CB -0.230 29.123 29.460 -0.178 0.000 1.088 469 W HN 0.454 nan 8.180 nan 0.000 0.623 470 D N 0.175 120.735 120.400 0.268 0.000 2.149 470 D HA -0.250 4.399 4.640 0.014 0.000 0.198 470 D C 1.601 178.007 176.300 0.176 0.000 0.990 470 D CA 1.571 55.727 54.000 0.260 0.000 0.839 470 D CB -0.795 40.318 40.800 0.520 0.000 0.948 470 D HN 0.155 nan 8.370 nan 0.000 0.460 471 E N 1.089 121.388 120.200 0.165 0.000 2.031 471 E HA -0.112 4.246 4.350 0.014 0.000 0.193 471 E C -0.565 176.060 176.600 0.043 0.000 0.994 471 E CA 1.434 57.897 56.400 0.105 0.000 0.800 471 E CB -0.894 28.858 29.700 0.087 0.000 0.752 471 E HN 0.282 nan 8.360 nan 0.000 0.447 472 P HA -0.084 nan 4.420 nan 0.000 0.221 472 P C 1.304 178.577 177.300 -0.045 0.000 1.150 472 P CA 1.065 64.137 63.100 -0.047 0.000 0.800 472 P CB -0.199 31.426 31.700 -0.123 0.000 0.787 473 R N -0.366 120.116 120.500 -0.030 0.000 2.075 473 R HA 0.035 4.383 4.340 0.014 0.000 0.232 473 R C 2.608 178.927 176.300 0.030 0.000 1.126 473 R CA 0.975 57.066 56.100 -0.014 0.000 0.963 473 R CB -0.852 29.437 30.300 -0.019 0.000 0.858 473 R HN 0.205 nan 8.270 nan 0.000 0.435 474 L N 0.048 121.283 121.223 0.020 0.000 2.083 474 L HA -0.137 4.212 4.340 0.014 0.000 0.209 474 L C 2.597 179.475 176.870 0.014 0.000 1.083 474 L CA 1.089 55.934 54.840 0.009 0.000 0.752 474 L CB -0.472 41.595 42.059 0.012 0.000 0.899 474 L HN 0.261 nan 8.230 nan 0.000 0.433 475 A N -0.053 122.776 122.820 0.015 0.000 1.898 475 A HA -0.116 4.213 4.320 0.014 0.000 0.216 475 A C 2.507 180.101 177.584 0.017 0.000 1.181 475 A CA 1.537 53.578 52.037 0.007 0.000 0.620 475 A CB -0.605 18.393 19.000 -0.002 0.000 0.819 475 A HN 0.381 nan 8.150 nan 0.000 0.442 476 A N -0.351 122.491 122.820 0.036 0.000 1.969 476 A HA 0.236 4.564 4.320 0.014 0.000 0.218 476 A C 2.389 180.066 177.584 0.154 0.000 1.169 476 A CA 1.845 53.934 52.037 0.085 0.000 0.635 476 A CB -0.710 18.336 19.000 0.077 0.000 0.810 476 A HN 0.937 nan 8.150 nan 0.000 0.445 477 A N -0.588 122.310 122.820 0.130 0.000 1.930 477 A HA 0.135 4.463 4.320 0.014 0.000 0.215 477 A C 2.066 179.590 177.584 -0.100 0.000 1.176 477 A CA 1.341 53.365 52.037 -0.022 0.000 0.632 477 A CB -0.534 18.450 19.000 -0.027 0.000 0.819 477 A HN 0.642 nan 8.150 nan 0.000 0.445 478 L N -0.258 120.939 121.223 -0.044 0.000 2.046 478 L HA -0.107 4.241 4.340 0.014 0.000 0.208 478 L C 2.175 179.020 176.870 -0.041 0.000 1.077 478 L CA 2.546 57.360 54.840 -0.043 0.000 0.747 478 L CB -0.385 41.663 42.059 -0.019 0.000 0.896 478 L HN 0.260 nan 8.230 nan 0.000 0.432 479 K N -0.769 119.618 120.400 -0.022 0.000 2.148 479 K HA -0.193 4.135 4.320 0.014 0.000 0.204 479 K C 2.182 178.765 176.600 -0.029 0.000 1.050 479 K CA 1.347 57.625 56.287 -0.016 0.000 0.942 479 K CB -0.199 32.302 32.500 0.001 0.000 0.724 479 K HN 0.419 nan 8.250 nan 0.000 0.446 480 Q N -0.026 119.744 119.800 -0.049 0.000 2.083 480 Q HA 0.067 4.416 4.340 0.014 0.000 0.198 480 Q C 1.792 177.712 176.000 -0.134 0.000 0.969 480 Q CA 1.917 57.662 55.803 -0.096 0.000 0.838 480 Q CB -0.525 28.089 28.738 -0.206 0.000 0.900 480 Q HN 0.269 nan 8.270 nan 0.000 0.436 481 A N 0.264 122.994 122.820 -0.150 0.000 1.908 481 A HA -0.257 4.071 4.320 0.014 0.000 0.218 481 A C 2.037 179.573 177.584 -0.079 0.000 1.181 481 A CA 1.814 53.775 52.037 -0.126 0.000 0.627 481 A CB -0.608 18.323 19.000 -0.115 0.000 0.818 481 A HN 0.576 nan 8.150 nan 0.000 0.445 482 Q N -0.799 118.965 119.800 -0.060 0.000 2.230 482 Q HA -0.101 4.248 4.340 0.014 0.000 0.202 482 Q C 2.190 178.169 176.000 -0.035 0.000 0.963 482 Q CA 1.671 57.450 55.803 -0.040 0.000 0.866 482 Q CB -0.299 28.422 28.738 -0.029 0.000 0.931 482 Q HN 0.908 nan 8.270 nan 0.000 0.452 483 T N -2.494 112.038 114.554 -0.037 0.000 2.962 483 T HA -0.073 4.286 4.350 0.014 0.000 0.270 483 T C 1.814 176.495 174.700 -0.031 0.000 1.088 483 T CA 1.433 63.516 62.100 -0.029 0.000 1.127 483 T CB -0.319 68.535 68.868 -0.023 0.000 0.883 483 T HN 0.116 nan 8.240 nan 0.000 0.493 484 T N 1.864 116.393 114.554 -0.042 0.000 2.896 484 T HA 0.096 4.454 4.350 0.014 0.000 0.263 484 T C 1.296 175.976 174.700 -0.033 0.000 1.050 484 T CA 0.574 62.650 62.100 -0.041 0.000 1.140 484 T CB -0.172 68.663 68.868 -0.055 0.000 0.877 484 T HN 0.453 nan 8.240 nan 0.000 0.457 485 S N 0.000 115.680 115.700 -0.034 0.000 2.498 485 S HA 0.000 4.478 4.470 0.014 0.000 0.327 485 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 485 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 485 S HN 0.000 nan 8.310 nan 0.000 0.517