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 2r6c_1_B DATA FIRST_RESID 15 DATA SEQUENCE EAEQAVLGAV FLDPAALVPA SEILIPEDFY RAAHQKIFHA MLRVADRGEP DATA SEQUENCE VDLVTVTAEL AASEQLEEIG GVSYLSELAD AVPTAANVEY YARIVEEKSV DATA SEQUENCE LRRLIRTATS IAQDGYTRED EIDVLLDEAD RKIMEXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXIT GIPTGFTELD RMTSGFQRSD LIIVAARPSV DATA SEQUENCE GKTAFALNIA QNVATKTNEN VAIFSLEMSA QQLVMRMLCA EGNINAQNLR DATA SEQUENCE TGKLTPEDWG KLTMAMGSLS NAGIYIDDTP SIRVSDIRAK CRRLKQESGL DATA SEQUENCE GMIVIDYLQL IQXXXXXXXX XXXEVSEISR SLKALARELE VPVIALSQLX DATA SEQUENCE XXXXXXXXXR PMMSDIRESG SIEQDADIVA FLYXXXXXXX XXXXXXXXEI DATA SEQUENCE IIAKQRNGPV GTVQLAFIKE YNKFVNL 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 15 E HA 0.000 nan 4.350 nan 0.000 0.291 15 E C 0.000 176.622 176.600 0.037 0.000 1.382 15 E CA 0.000 56.457 56.400 0.095 0.000 0.976 15 E CB 0.000 29.752 29.700 0.086 0.000 0.812 16 A N 1.823 124.670 122.820 0.045 0.000 1.940 16 A HA -0.236 4.084 4.320 0.000 0.000 0.219 16 A C 1.856 179.421 177.584 -0.031 0.000 1.176 16 A CA 1.951 53.976 52.037 -0.021 0.000 0.631 16 A CB -0.537 18.525 19.000 0.104 0.000 0.814 16 A HN 0.265 nan 8.150 nan 0.000 0.446 17 E N -0.469 119.805 120.200 0.124 0.000 2.070 17 E HA -0.274 4.076 4.350 0.000 0.000 0.197 17 E C 2.280 179.043 176.600 0.272 0.000 1.004 17 E CA 1.644 58.256 56.400 0.354 0.000 0.805 17 E CB -0.245 29.839 29.700 0.639 0.000 0.744 17 E HN 0.759 nan 8.360 nan 0.000 0.451 18 Q N -0.073 119.821 119.800 0.157 0.000 2.170 18 Q HA -0.143 4.197 4.340 0.000 0.000 0.203 18 Q C 2.142 178.095 176.000 -0.079 0.000 0.976 18 Q CA 1.151 56.953 55.803 -0.002 0.000 0.858 18 Q CB -0.113 28.652 28.738 0.046 0.000 0.907 18 Q HN 0.233 nan 8.270 nan 0.000 0.433 19 A N 0.256 122.973 122.820 -0.172 0.000 1.873 19 A HA -0.135 4.185 4.320 0.000 0.000 0.215 19 A C 2.311 179.807 177.584 -0.147 0.000 1.186 19 A CA 1.306 53.150 52.037 -0.322 0.000 0.616 19 A CB -0.699 17.692 19.000 -1.015 0.000 0.823 19 A HN 0.195 nan 8.150 nan 0.000 0.442 20 V N 0.448 120.337 119.914 -0.042 0.000 2.223 20 V HA -0.290 3.830 4.120 0.000 0.000 0.244 20 V C 2.590 178.746 176.094 0.103 0.000 1.045 20 V CA 2.064 64.436 62.300 0.120 0.000 1.000 20 V CB -1.021 30.950 31.823 0.248 0.000 0.635 20 V HN 0.582 nan 8.190 nan 0.000 0.445 21 L N 0.414 121.687 121.223 0.083 0.000 1.997 21 L HA -0.223 4.117 4.340 0.000 0.000 0.216 21 L C 2.688 179.493 176.870 -0.108 0.000 1.074 21 L CA 2.121 56.911 54.840 -0.083 0.000 0.763 21 L CB -1.500 40.448 42.059 -0.186 0.000 0.890 21 L HN 0.525 nan 8.230 nan 0.000 0.434 22 G N -0.462 108.332 108.800 -0.009 0.000 2.491 22 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 22 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 22 G C 1.730 176.675 174.900 0.075 0.000 1.180 22 G CA 0.989 46.138 45.100 0.082 0.000 0.774 22 G HN 0.510 nan 8.290 nan 0.000 0.562 23 A N -0.231 122.609 122.820 0.033 0.000 2.019 23 A HA 0.115 4.435 4.320 0.000 0.000 0.219 23 A C 2.591 180.187 177.584 0.019 0.000 1.164 23 A CA 1.758 53.823 52.037 0.047 0.000 0.644 23 A CB -0.470 18.576 19.000 0.076 0.000 0.805 23 A HN 0.277 nan 8.150 nan 0.000 0.449 24 V N -1.086 118.796 119.914 -0.054 0.000 2.237 24 V HA -0.238 3.882 4.120 0.000 0.000 0.245 24 V C 2.224 178.247 176.094 -0.119 0.000 1.046 24 V CA 2.154 64.368 62.300 -0.143 0.000 1.007 24 V CB -1.020 30.628 31.823 -0.293 0.000 0.638 24 V HN 0.567 nan 8.190 nan 0.000 0.445 25 F N -0.530 119.398 119.950 -0.037 0.000 2.176 25 F HA -0.244 4.283 4.527 0.000 0.000 0.301 25 F C 2.187 177.969 175.800 -0.030 0.000 1.071 25 F CA 1.440 59.413 58.000 -0.044 0.000 1.289 25 F CB -0.688 38.277 39.000 -0.059 0.000 1.028 25 F HN 0.068 nan 8.300 nan 0.000 0.494 26 L N -0.844 120.465 121.223 0.142 0.000 2.068 26 L HA -0.159 4.181 4.340 0.000 0.000 0.204 26 L C 2.179 179.080 176.870 0.051 0.000 1.076 26 L CA 1.601 56.491 54.840 0.083 0.000 0.753 26 L CB -0.328 41.771 42.059 0.067 0.000 0.910 26 L HN 0.012 nan 8.230 nan 0.000 0.439 27 D N -0.616 119.805 120.400 0.035 0.000 2.201 27 D HA -0.023 4.617 4.640 0.000 0.000 0.209 27 D C -1.074 175.235 176.300 0.014 0.000 0.961 27 D CA 0.553 54.567 54.000 0.023 0.000 0.861 27 D CB -0.516 40.298 40.800 0.023 0.000 0.997 27 D HN 0.249 nan 8.370 nan 0.000 0.486 28 P HA 0.345 nan 4.420 nan 0.000 0.254 28 P C 0.083 177.370 177.300 -0.022 0.000 1.620 28 P CA 0.138 63.229 63.100 -0.014 0.000 1.050 28 P CB 0.462 32.148 31.700 -0.024 0.000 1.539 29 A N 0.538 123.354 122.820 -0.006 0.000 2.248 29 A HA 0.173 4.493 4.320 0.000 0.000 0.210 29 A C 2.082 179.669 177.584 0.006 0.000 1.174 29 A CA 1.061 53.096 52.037 -0.004 0.000 0.750 29 A CB -0.773 18.229 19.000 0.003 0.000 0.780 29 A HN 0.276 nan 8.150 nan 0.000 0.478 30 A N -0.521 122.304 122.820 0.009 0.000 2.015 30 A HA 0.008 4.328 4.320 0.000 0.000 0.219 30 A C 1.931 179.534 177.584 0.032 0.000 1.163 30 A CA 1.463 53.518 52.037 0.030 0.000 0.646 30 A CB -0.367 18.654 19.000 0.034 0.000 0.806 30 A HN 0.590 nan 8.150 nan 0.000 0.448 31 L N -0.054 121.160 121.223 -0.015 0.000 2.141 31 L HA -0.076 4.264 4.340 0.000 0.000 0.209 31 L C 2.341 179.213 176.870 0.003 0.000 1.094 31 L CA 1.617 56.431 54.840 -0.043 0.000 0.763 31 L CB -0.578 41.399 42.059 -0.137 0.000 0.908 31 L HN 0.168 nan 8.230 nan 0.000 0.437 32 V N 0.794 120.712 119.914 0.006 0.000 2.255 32 V HA -0.203 3.917 4.120 0.000 0.000 0.247 32 V C -0.154 175.973 176.094 0.054 0.000 1.051 32 V CA 2.351 64.663 62.300 0.021 0.000 1.018 32 V CB -1.985 29.846 31.823 0.013 0.000 0.641 32 V HN 0.389 nan 8.190 nan 0.000 0.445 33 P HA 0.038 nan 4.420 nan 0.000 0.224 33 P C 1.569 178.939 177.300 0.118 0.000 1.157 33 P CA 1.521 64.669 63.100 0.081 0.000 0.799 33 P CB -0.084 31.662 31.700 0.076 0.000 0.809 34 A N 0.669 123.586 122.820 0.162 0.000 1.933 34 A HA -0.161 4.159 4.320 0.000 0.000 0.218 34 A C 2.294 180.084 177.584 0.344 0.000 1.175 34 A CA 2.277 54.468 52.037 0.256 0.000 0.628 34 A CB -1.556 17.667 19.000 0.371 0.000 0.814 34 A HN 0.342 nan 8.150 nan 0.000 0.444 35 S N -0.611 115.289 115.700 0.334 0.000 2.496 35 S HA -0.010 4.460 4.470 0.000 0.000 0.224 35 S C 1.383 176.091 174.600 0.180 0.000 0.996 35 S CA 0.943 59.346 58.200 0.339 0.000 0.927 35 S CB -0.208 63.101 63.200 0.180 0.000 0.774 35 S HN 0.649 nan 8.310 nan 0.000 0.524 36 E N 0.552 120.826 120.200 0.123 0.000 2.347 36 E HA 0.158 4.508 4.350 0.000 0.000 0.196 36 E C 1.348 177.985 176.600 0.061 0.000 1.008 36 E CA 0.839 57.285 56.400 0.077 0.000 0.852 36 E CB -0.053 29.683 29.700 0.059 0.000 0.783 36 E HN 0.633 nan 8.360 nan 0.000 0.505 37 I N -0.233 120.375 120.570 0.065 0.000 4.244 37 I HA 0.093 4.263 4.170 0.000 0.000 0.318 37 I C 0.164 176.268 176.117 -0.021 0.000 1.282 37 I CA 0.124 61.435 61.300 0.018 0.000 1.276 37 I CB 0.792 38.798 38.000 0.012 0.000 1.183 37 I HN -0.105 nan 8.210 nan 0.000 0.431 38 L N 2.402 123.620 121.223 -0.010 0.000 2.381 38 L HA 0.571 4.911 4.340 0.000 0.000 0.268 38 L C -0.565 176.309 176.870 0.006 0.000 0.997 38 L CA -0.846 53.917 54.840 -0.128 0.000 0.818 38 L CB 2.358 44.160 42.059 -0.428 0.000 1.310 38 L HN 0.010 nan 8.230 nan 0.000 0.416 39 I N -0.946 119.626 120.570 0.003 0.000 2.822 39 I HA 0.509 4.679 4.170 0.000 0.000 0.312 39 I C -2.000 174.193 176.117 0.128 0.000 1.011 39 I CA -2.256 59.128 61.300 0.140 0.000 1.105 39 I CB 1.357 39.429 38.000 0.120 0.000 1.291 39 I HN 0.289 nan 8.210 nan 0.000 0.474 40 P HA -0.194 nan 4.420 nan 0.000 0.216 40 P C 0.979 178.438 177.300 0.266 0.000 1.154 40 P CA 1.604 64.920 63.100 0.361 0.000 0.865 40 P CB 0.069 31.985 31.700 0.360 0.000 0.789 41 E N -0.913 119.382 120.200 0.158 0.000 2.401 41 E HA -0.152 4.198 4.350 0.000 0.000 0.199 41 E C 1.521 178.165 176.600 0.072 0.000 1.023 41 E CA 0.800 57.262 56.400 0.103 0.000 0.859 41 E CB -0.782 28.957 29.700 0.066 0.000 0.780 41 E HN 0.342 nan 8.360 nan 0.000 0.523 42 D N -0.352 120.056 120.400 0.013 0.000 2.224 42 D HA -0.085 4.555 4.640 0.000 0.000 0.205 42 D C -0.058 176.161 176.300 -0.134 0.000 0.965 42 D CA 0.521 54.452 54.000 -0.114 0.000 0.852 42 D CB -0.010 40.629 40.800 -0.267 0.000 0.947 42 D HN 0.159 nan 8.370 nan 0.000 0.494 43 F N 0.604 120.532 119.950 -0.038 0.000 2.495 43 F HA -0.014 4.513 4.527 0.000 0.000 0.365 43 F C 1.463 177.299 175.800 0.061 0.000 1.090 43 F CA -0.526 57.486 58.000 0.020 0.000 1.235 43 F CB 0.531 39.558 39.000 0.045 0.000 1.119 43 F HN -0.144 nan 8.300 nan 0.000 0.562 44 Y N 3.250 123.611 120.300 0.101 0.000 2.184 44 Y HA 0.063 4.613 4.550 0.000 0.000 0.290 44 Y C 1.246 177.148 175.900 0.002 0.000 1.129 44 Y CA 1.052 59.168 58.100 0.027 0.000 1.144 44 Y CB -0.030 38.424 38.460 -0.009 0.000 0.995 44 Y HN 0.342 nan 8.280 nan 0.000 0.513 45 R N 0.341 120.723 120.500 -0.196 0.000 2.389 45 R HA 0.252 4.593 4.340 0.000 0.000 0.295 45 R C 1.347 177.531 176.300 -0.193 0.000 1.075 45 R CA 0.289 56.170 56.100 -0.365 0.000 1.005 45 R CB 0.994 30.976 30.300 -0.531 0.000 0.987 45 R HN 0.440 nan 8.270 nan 0.000 0.452 46 A N 3.849 126.552 122.820 -0.195 0.000 1.859 46 A HA -0.275 4.045 4.320 0.000 0.000 0.217 46 A C 2.200 179.767 177.584 -0.027 0.000 1.198 46 A CA 2.106 54.087 52.037 -0.093 0.000 0.629 46 A CB -0.854 18.085 19.000 -0.102 0.000 0.830 46 A HN 0.893 nan 8.150 nan 0.000 0.446 47 A N -0.745 122.057 122.820 -0.030 0.000 1.954 47 A HA -0.322 3.998 4.320 0.000 0.000 0.222 47 A C 1.967 179.666 177.584 0.193 0.000 1.199 47 A CA 2.145 54.225 52.037 0.072 0.000 0.657 47 A CB -1.267 17.768 19.000 0.059 0.000 0.823 47 A HN 0.828 nan 8.150 nan 0.000 0.463 48 H N -2.019 117.030 119.070 -0.034 0.000 2.403 48 H HA -0.073 4.483 4.556 0.000 0.000 0.298 48 H C 2.424 177.553 175.328 -0.332 0.000 1.059 48 H CA 0.953 56.885 56.048 -0.193 0.000 1.363 48 H CB 0.011 29.652 29.762 -0.201 0.000 1.410 48 H HN 0.646 nan 8.280 nan 0.000 0.528 49 Q N 1.403 121.206 119.800 0.005 0.000 2.029 49 Q HA -0.218 4.122 4.340 0.000 0.000 0.209 49 Q C 2.114 178.160 176.000 0.076 0.000 0.999 49 Q CA 1.934 57.771 55.803 0.057 0.000 0.857 49 Q CB 0.124 28.907 28.738 0.074 0.000 0.926 49 Q HN 0.240 nan 8.270 nan 0.000 0.415 50 K N 0.148 120.582 120.400 0.057 0.000 2.044 50 K HA -0.171 4.149 4.320 0.000 0.000 0.210 50 K C 1.881 178.534 176.600 0.089 0.000 1.049 50 K CA 1.530 57.861 56.287 0.073 0.000 0.927 50 K CB -0.253 32.277 32.500 0.048 0.000 0.713 50 K HN 0.236 nan 8.250 nan 0.000 0.443 51 I N -0.482 120.117 120.570 0.048 0.000 2.090 51 I HA -0.288 3.882 4.170 0.000 0.000 0.236 51 I C 2.056 178.154 176.117 -0.031 0.000 1.064 51 I CA 1.361 62.665 61.300 0.008 0.000 1.324 51 I CB -0.273 37.712 38.000 -0.025 0.000 1.044 51 I HN 0.064 nan 8.210 nan 0.000 0.399 52 F N 0.776 120.591 119.950 -0.226 0.000 2.154 52 F HA -0.317 4.210 4.527 0.000 0.000 0.301 52 F C 2.706 178.486 175.800 -0.035 0.000 1.087 52 F CA 1.930 59.819 58.000 -0.185 0.000 1.274 52 F CB -0.405 38.431 39.000 -0.274 0.000 1.009 52 F HN 0.177 nan 8.300 nan 0.000 0.485 53 H N -0.295 118.833 119.070 0.097 0.000 2.299 53 H HA -0.118 4.438 4.556 0.000 0.000 0.302 53 H C 2.280 177.584 175.328 -0.040 0.000 1.078 53 H CA 1.408 57.488 56.048 0.054 0.000 1.323 53 H CB -0.313 29.491 29.762 0.071 0.000 1.381 53 H HN 0.326 nan 8.280 nan 0.000 0.498 54 A N 1.304 124.137 122.820 0.022 0.000 1.873 54 A HA -0.248 4.072 4.320 0.000 0.000 0.218 54 A C 2.683 180.178 177.584 -0.149 0.000 1.193 54 A CA 1.977 53.988 52.037 -0.043 0.000 0.629 54 A CB -1.001 18.006 19.000 0.013 0.000 0.826 54 A HN 0.517 nan 8.150 nan 0.000 0.447 55 M N -0.921 118.555 119.600 -0.208 0.000 2.113 55 M HA -0.239 4.242 4.480 0.000 0.000 0.255 55 M C 2.095 178.203 176.300 -0.321 0.000 1.073 55 M CA 2.070 57.182 55.300 -0.312 0.000 1.091 55 M CB -0.394 31.907 32.600 -0.500 0.000 1.309 55 M HN 0.465 nan 8.290 nan 0.000 0.407 56 L N -1.385 119.609 121.223 -0.382 0.000 2.056 56 L HA -0.202 4.138 4.340 0.000 0.000 0.207 56 L C 2.515 179.237 176.870 -0.247 0.000 1.078 56 L CA 1.292 55.941 54.840 -0.319 0.000 0.749 56 L CB -0.475 41.400 42.059 -0.307 0.000 0.901 56 L HN 0.239 nan 8.230 nan 0.000 0.433 57 R N -0.701 119.625 120.500 -0.289 0.000 2.159 57 R HA -0.140 4.200 4.340 0.000 0.000 0.237 57 R C 2.052 178.275 176.300 -0.129 0.000 1.131 57 R CA 1.058 57.027 56.100 -0.217 0.000 0.982 57 R CB -0.080 30.088 30.300 -0.219 0.000 0.868 57 R HN 0.173 nan 8.270 nan 0.000 0.453 58 V N -0.276 119.562 119.914 -0.127 0.000 2.535 58 V HA -0.063 4.057 4.120 0.000 0.000 0.246 58 V C 2.140 178.182 176.094 -0.087 0.000 1.045 58 V CA 1.573 63.821 62.300 -0.088 0.000 1.058 58 V CB -0.140 31.637 31.823 -0.076 0.000 0.689 58 V HN 0.434 nan 8.190 nan 0.000 0.461 59 A N -0.619 122.132 122.820 -0.115 0.000 2.070 59 A HA -0.191 4.129 4.320 0.000 0.000 0.220 59 A C 1.603 179.141 177.584 -0.076 0.000 1.159 59 A CA 1.439 53.416 52.037 -0.099 0.000 0.656 59 A CB -0.436 18.489 19.000 -0.125 0.000 0.800 59 A HN 0.486 nan 8.150 nan 0.000 0.453 60 D N -0.865 119.487 120.400 -0.080 0.000 2.395 60 D HA 0.135 4.775 4.640 0.000 0.000 0.250 60 D C 1.269 177.544 176.300 -0.042 0.000 1.203 60 D CA 0.413 54.377 54.000 -0.059 0.000 0.872 60 D CB 0.215 40.976 40.800 -0.065 0.000 0.941 60 D HN 0.439 nan 8.370 nan 0.000 0.504 61 R N -0.784 119.692 120.500 -0.040 0.000 3.901 61 R HA 0.472 4.812 4.340 0.000 0.000 0.145 61 R C 0.657 176.942 176.300 -0.024 0.000 1.166 61 R CA 0.336 56.419 56.100 -0.028 0.000 1.031 61 R CB 0.453 30.738 30.300 -0.025 0.000 1.380 61 R HN 0.033 nan 8.270 nan 0.000 0.464 62 G N 0.687 109.472 108.800 -0.025 0.000 2.801 62 G HA2 0.107 4.067 3.960 0.000 0.000 0.648 62 G HA3 0.107 4.067 3.960 0.000 0.000 0.648 62 G C -0.545 174.334 174.900 -0.035 0.000 1.415 62 G CA -0.089 44.994 45.100 -0.029 0.000 0.887 62 G HN 0.346 nan 8.290 nan 0.000 0.627 63 E N 0.198 120.380 120.200 -0.030 0.000 2.629 63 E HA 0.175 4.525 4.350 0.000 0.000 0.203 63 E C -1.147 175.445 176.600 -0.014 0.000 0.939 63 E CA -0.022 56.365 56.400 -0.021 0.000 1.439 63 E CB 0.340 30.029 29.700 -0.019 0.000 1.490 63 E HN 0.539 nan 8.360 nan 0.000 0.804 64 P HA 0.395 nan 4.420 nan 0.000 0.330 64 P C -0.570 176.715 177.300 -0.026 0.000 1.323 64 P CA -0.449 62.637 63.100 -0.023 0.000 0.828 64 P CB 0.649 32.337 31.700 -0.019 0.000 2.009 65 V N 1.355 121.248 119.914 -0.034 0.000 2.334 65 V HA 0.557 4.677 4.120 0.000 0.000 0.281 65 V C -0.713 175.387 176.094 0.010 0.000 1.016 65 V CA -0.308 61.967 62.300 -0.041 0.000 0.832 65 V CB 0.249 32.007 31.823 -0.107 0.000 0.999 65 V HN 0.826 nan 8.190 nan 0.000 0.439 66 D N 2.792 123.238 120.400 0.077 0.000 2.692 66 D HA 0.291 4.932 4.640 0.000 0.000 0.290 66 D C 0.769 177.213 176.300 0.240 0.000 1.281 66 D CA -0.875 53.233 54.000 0.181 0.000 0.804 66 D CB 1.047 41.904 40.800 0.095 0.000 1.331 66 D HN 0.173 nan 8.370 nan 0.000 0.432 67 L N -0.157 121.177 121.223 0.186 0.000 2.017 67 L HA -0.293 4.047 4.340 0.000 0.000 0.234 67 L C 2.259 179.132 176.870 0.006 0.000 1.097 67 L CA 2.139 56.940 54.840 -0.065 0.000 0.816 67 L CB -0.571 41.341 42.059 -0.245 0.000 0.914 67 L HN 0.416 nan 8.230 nan 0.000 0.444 68 V N -1.233 118.678 119.914 -0.004 0.000 2.295 68 V HA -0.319 3.801 4.120 0.000 0.000 0.246 68 V C 2.552 178.658 176.094 0.020 0.000 1.049 68 V CA 2.364 64.662 62.300 -0.002 0.000 1.024 68 V CB -0.564 31.253 31.823 -0.010 0.000 0.648 68 V HN 0.576 nan 8.190 nan 0.000 0.447 69 T N -0.722 113.851 114.554 0.032 0.000 2.803 69 T HA -0.152 4.198 4.350 0.000 0.000 0.269 69 T C 1.732 176.453 174.700 0.034 0.000 1.052 69 T CA 1.813 63.929 62.100 0.026 0.000 1.136 69 T CB -0.084 68.795 68.868 0.018 0.000 0.864 69 T HN 0.262 nan 8.240 nan 0.000 0.467 70 V N 1.538 121.497 119.914 0.076 0.000 2.379 70 V HA -0.074 4.046 4.120 0.000 0.000 0.243 70 V C 2.997 179.135 176.094 0.074 0.000 1.035 70 V CA 2.047 64.398 62.300 0.084 0.000 1.035 70 V CB -1.149 30.779 31.823 0.175 0.000 0.673 70 V HN 0.730 nan 8.190 nan 0.000 0.457 71 T N -0.483 114.114 114.554 0.073 0.000 2.822 71 T HA -0.196 4.154 4.350 0.000 0.000 0.270 71 T C 1.805 176.522 174.700 0.028 0.000 1.064 71 T CA 1.692 63.817 62.100 0.041 0.000 1.131 71 T CB -0.440 68.432 68.868 0.007 0.000 0.858 71 T HN 0.448 nan 8.240 nan 0.000 0.483 72 A N 1.261 124.095 122.820 0.024 0.000 1.968 72 A HA 0.060 4.380 4.320 0.000 0.000 0.217 72 A C 2.267 179.861 177.584 0.016 0.000 1.169 72 A CA 1.675 53.721 52.037 0.015 0.000 0.638 72 A CB -0.648 18.358 19.000 0.010 0.000 0.812 72 A HN 0.592 nan 8.150 nan 0.000 0.446 73 E N 0.065 120.276 120.200 0.019 0.000 2.076 73 E HA -0.019 4.331 4.350 0.000 0.000 0.190 73 E C 1.798 178.415 176.600 0.028 0.000 0.979 73 E CA 0.789 57.200 56.400 0.017 0.000 0.807 73 E CB -0.355 29.349 29.700 0.006 0.000 0.761 73 E HN 0.548 nan 8.360 nan 0.000 0.454 74 L N 0.141 121.385 121.223 0.036 0.000 2.017 74 L HA -0.162 4.178 4.340 0.000 0.000 0.208 74 L C 2.528 179.417 176.870 0.032 0.000 1.073 74 L CA 1.397 56.262 54.840 0.042 0.000 0.745 74 L CB -0.582 41.509 42.059 0.053 0.000 0.894 74 L HN 0.230 nan 8.230 nan 0.000 0.432 75 A N -0.227 122.609 122.820 0.026 0.000 1.933 75 A HA -0.167 4.153 4.320 0.000 0.000 0.218 75 A C 2.517 180.111 177.584 0.016 0.000 1.175 75 A CA 1.719 53.767 52.037 0.019 0.000 0.628 75 A CB -0.742 18.266 19.000 0.014 0.000 0.814 75 A HN 0.413 nan 8.150 nan 0.000 0.444 76 A N 0.318 123.148 122.820 0.017 0.000 1.858 76 A HA -0.097 4.223 4.320 0.000 0.000 0.216 76 A C 2.357 179.951 177.584 0.018 0.000 1.190 76 A CA 2.275 54.321 52.037 0.015 0.000 0.617 76 A CB -0.983 18.025 19.000 0.014 0.000 0.827 76 A HN 1.112 nan 8.150 nan 0.000 0.443 77 S N 0.415 116.130 115.700 0.024 0.000 2.701 77 S HA 0.121 4.591 4.470 0.000 0.000 0.220 77 S C 0.428 175.040 174.600 0.021 0.000 0.954 77 S CA 0.725 58.941 58.200 0.027 0.000 0.936 77 S CB -0.851 62.374 63.200 0.042 0.000 0.777 77 S HN 0.863 nan 8.310 nan 0.000 0.518 78 E N 0.833 121.044 120.200 0.018 0.000 2.228 78 E HA -0.285 4.065 4.350 0.000 0.000 0.213 78 E C 0.109 176.718 176.600 0.014 0.000 1.282 78 E CA 0.961 57.370 56.400 0.014 0.000 0.707 78 E CB -2.476 27.229 29.700 0.009 0.000 1.150 78 E HN 0.950 nan 8.360 nan 0.000 0.362 79 Q N -0.115 119.697 119.800 0.020 0.000 2.118 79 Q HA 0.280 4.620 4.340 0.000 0.000 0.219 79 Q C 1.672 177.689 176.000 0.028 0.000 0.794 79 Q CA -0.301 55.514 55.803 0.020 0.000 1.035 79 Q CB 0.327 29.078 28.738 0.021 0.000 1.177 79 Q HN 0.507 nan 8.270 nan 0.000 0.478 80 L N 1.278 122.518 121.223 0.029 0.000 1.971 80 L HA -0.172 4.168 4.340 0.000 0.000 0.215 80 L C 2.121 179.011 176.870 0.033 0.000 1.072 80 L CA 1.969 56.830 54.840 0.035 0.000 0.758 80 L CB -0.059 42.015 42.059 0.026 0.000 0.889 80 L HN 0.356 nan 8.230 nan 0.000 0.433 81 E N -0.451 119.761 120.200 0.020 0.000 2.511 81 E HA -0.198 4.152 4.350 0.000 0.000 0.196 81 E C 1.581 178.183 176.600 0.004 0.000 1.066 81 E CA 0.198 56.605 56.400 0.013 0.000 0.871 81 E CB 0.291 29.994 29.700 0.006 0.000 0.863 81 E HN 0.533 nan 8.360 nan 0.000 0.520 82 E N -0.234 119.970 120.200 0.006 0.000 2.385 82 E HA -0.008 4.342 4.350 0.000 0.000 0.194 82 E C 1.232 177.827 176.600 -0.009 0.000 1.013 82 E CA 0.015 56.412 56.400 -0.005 0.000 0.866 82 E CB 0.387 30.086 29.700 -0.002 0.000 0.832 82 E HN 0.210 nan 8.360 nan 0.000 0.500 83 I N -0.593 119.986 120.570 0.015 0.000 6.419 83 I HA 0.167 4.337 4.170 0.000 0.000 0.208 83 I C 1.716 177.817 176.117 -0.027 0.000 0.866 83 I CA 0.158 61.473 61.300 0.024 0.000 1.629 83 I CB -0.553 37.517 38.000 0.117 0.000 1.340 83 I HN -0.015 nan 8.210 nan 0.000 0.452 84 G N -0.798 108.023 108.800 0.036 0.000 3.137 84 G HA2 0.512 4.472 3.960 0.000 0.000 0.163 84 G HA3 0.512 4.472 3.960 0.000 0.000 0.163 84 G C 0.143 175.081 174.900 0.064 0.000 1.602 84 G CA 0.266 45.386 45.100 0.034 0.000 1.067 84 G HN 0.632 nan 8.290 nan 0.000 0.568 85 G N -1.754 107.099 108.800 0.088 0.000 3.099 85 G HA2 0.413 4.373 3.960 0.000 0.000 0.151 85 G HA3 0.413 4.373 3.960 0.000 0.000 0.151 85 G C 1.198 176.131 174.900 0.055 0.000 1.265 85 G CA 0.824 45.956 45.100 0.053 0.000 0.981 85 G HN 1.082 nan 8.290 nan 0.000 0.601 86 V N -1.422 118.504 119.914 0.019 0.000 3.041 86 V HA 0.007 4.127 4.120 0.000 0.000 0.260 86 V C 2.438 178.518 176.094 -0.024 0.000 1.105 86 V CA 2.109 64.400 62.300 -0.016 0.000 1.125 86 V CB -0.417 31.384 31.823 -0.037 0.000 0.730 86 V HN 0.379 nan 8.190 nan 0.000 0.479 87 S N 0.119 115.828 115.700 0.015 0.000 2.359 87 S HA -0.211 4.259 4.470 0.000 0.000 0.224 87 S C 1.802 176.439 174.600 0.062 0.000 1.035 87 S CA 2.251 60.467 58.200 0.027 0.000 1.018 87 S CB -0.613 62.614 63.200 0.046 0.000 0.876 87 S HN 0.792 nan 8.310 nan 0.000 0.448 88 Y N 1.691 121.978 120.300 -0.021 0.000 2.457 88 Y HA 0.157 4.707 4.550 0.000 0.000 0.292 88 Y C 1.738 177.626 175.900 -0.022 0.000 1.125 88 Y CA 0.502 58.599 58.100 -0.005 0.000 1.254 88 Y CB -0.252 38.223 38.460 0.025 0.000 1.012 88 Y HN 0.145 nan 8.280 nan 0.000 0.555 89 L N -1.510 119.666 121.223 -0.078 0.000 2.044 89 L HA -0.192 4.148 4.340 0.000 0.000 0.205 89 L C 2.500 179.134 176.870 -0.392 0.000 1.075 89 L CA 1.447 56.150 54.840 -0.228 0.000 0.747 89 L CB -0.660 41.275 42.059 -0.207 0.000 0.903 89 L HN 0.045 nan 8.230 nan 0.000 0.435 90 S N -0.539 114.991 115.700 -0.283 0.000 2.368 90 S HA -0.191 4.279 4.470 0.000 0.000 0.224 90 S C 1.787 176.274 174.600 -0.188 0.000 1.029 90 S CA 1.091 59.141 58.200 -0.249 0.000 0.988 90 S CB -0.155 62.950 63.200 -0.160 0.000 0.838 90 S HN 0.367 nan 8.310 nan 0.000 0.462 91 E N 0.850 120.961 120.200 -0.149 0.000 2.065 91 E HA -0.206 4.144 4.350 0.000 0.000 0.201 91 E C 2.021 178.518 176.600 -0.172 0.000 1.016 91 E CA 1.389 57.714 56.400 -0.124 0.000 0.818 91 E CB -0.367 29.289 29.700 -0.073 0.000 0.749 91 E HN 0.429 nan 8.360 nan 0.000 0.453 92 L N 0.106 121.160 121.223 -0.282 0.000 2.046 92 L HA -0.198 4.142 4.340 0.000 0.000 0.208 92 L C 2.595 179.424 176.870 -0.068 0.000 1.077 92 L CA 1.065 55.781 54.840 -0.207 0.000 0.747 92 L CB -0.509 41.415 42.059 -0.223 0.000 0.896 92 L HN 0.159 nan 8.230 nan 0.000 0.432 93 A N -0.229 122.526 122.820 -0.109 0.000 1.898 93 A HA -0.187 4.133 4.320 0.000 0.000 0.216 93 A C 1.933 179.488 177.584 -0.047 0.000 1.181 93 A CA 1.762 53.761 52.037 -0.063 0.000 0.620 93 A CB -0.381 18.459 19.000 -0.267 0.000 0.819 93 A HN 0.367 nan 8.150 nan 0.000 0.442 94 D N -0.056 120.299 120.400 -0.075 0.000 2.234 94 D HA 0.076 4.716 4.640 0.000 0.000 0.205 94 D C 2.121 178.405 176.300 -0.026 0.000 0.962 94 D CA 1.168 55.140 54.000 -0.047 0.000 0.855 94 D CB -0.243 40.525 40.800 -0.053 0.000 0.951 94 D HN 0.425 nan 8.370 nan 0.000 0.500 95 A N 0.832 123.633 122.820 -0.032 0.000 1.930 95 A HA -0.026 4.294 4.320 0.000 0.000 0.217 95 A C 1.399 178.983 177.584 -0.002 0.000 1.175 95 A CA 0.404 52.432 52.037 -0.016 0.000 0.627 95 A CB -0.186 18.798 19.000 -0.026 0.000 0.815 95 A HN 0.073 nan 8.150 nan 0.000 0.443 96 V N 1.963 121.877 119.914 0.000 0.000 2.508 96 V HA 0.133 4.253 4.120 0.000 0.000 0.281 96 V C -0.979 175.131 176.094 0.027 0.000 1.041 96 V CA -0.492 61.818 62.300 0.016 0.000 1.016 96 V CB 1.203 33.038 31.823 0.020 0.000 0.984 96 V HN 0.448 nan 8.190 nan 0.000 0.478 97 P HA 0.113 nan 4.420 nan 0.000 0.234 97 P C 0.407 177.731 177.300 0.039 0.000 1.175 97 P CA 0.527 63.648 63.100 0.035 0.000 0.801 97 P CB 0.671 32.394 31.700 0.039 0.000 0.891 98 T N -1.530 113.056 114.554 0.053 0.000 2.853 98 T HA 0.650 5.000 4.350 0.000 0.000 0.311 98 T C -1.504 173.238 174.700 0.070 0.000 1.307 98 T CA -0.262 61.870 62.100 0.052 0.000 1.019 98 T CB 1.144 70.037 68.868 0.043 0.000 1.264 98 T HN -0.148 nan 8.240 nan 0.000 0.497 99 A N 1.285 124.140 122.820 0.058 0.000 2.705 99 A HA 0.715 5.035 4.320 0.000 0.000 0.294 99 A C 1.055 178.673 177.584 0.056 0.000 1.039 99 A CA 0.372 52.450 52.037 0.068 0.000 1.005 99 A CB -0.448 18.585 19.000 0.055 0.000 1.192 99 A HN 1.072 nan 8.150 nan 0.000 0.513 100 A N -0.445 122.399 122.820 0.041 0.000 2.390 100 A HA 0.196 4.516 4.320 0.000 0.000 0.232 100 A C 1.389 178.960 177.584 -0.021 0.000 1.233 100 A CA 0.333 52.374 52.037 0.007 0.000 0.907 100 A CB -0.042 18.948 19.000 -0.016 0.000 0.967 100 A HN 0.464 nan 8.150 nan 0.000 0.512 101 N N 0.369 119.076 118.700 0.012 0.000 2.349 101 N HA 0.005 4.745 4.740 0.000 0.000 0.202 101 N C 1.633 177.252 175.510 0.181 0.000 1.041 101 N CA 1.843 54.868 53.050 -0.042 0.000 0.970 101 N CB -0.674 37.803 38.487 -0.016 0.000 1.173 101 N HN 0.163 nan 8.380 nan 0.000 0.493 102 V N 1.102 121.225 119.914 0.348 0.000 0.549 102 V HA -0.357 3.763 4.120 0.000 0.000 0.090 102 V C 1.212 177.519 176.094 0.355 0.000 2.287 102 V CA 2.633 65.134 62.300 0.336 0.000 3.570 102 V CB -1.617 30.323 31.823 0.194 0.000 0.916 102 V HN 0.745 nan 8.190 nan 0.000 0.926 103 E N -1.149 119.230 120.200 0.300 0.000 2.511 103 E HA 0.547 4.897 4.350 0.000 0.000 0.214 103 E C -0.001 176.716 176.600 0.195 0.000 1.062 103 E CA -0.290 56.238 56.400 0.214 0.000 1.213 103 E CB 0.234 30.016 29.700 0.137 0.000 1.214 103 E HN 0.737 nan 8.360 nan 0.000 0.441 104 Y N -1.883 118.427 120.300 0.017 0.000 1.972 104 Y HA 0.041 4.591 4.550 0.000 0.000 0.309 104 Y C -0.009 175.889 175.900 -0.004 0.000 1.565 104 Y CA -0.318 57.792 58.100 0.017 0.000 1.064 104 Y CB -0.044 38.357 38.460 -0.098 0.000 4.714 104 Y HN -0.010 nan 8.280 nan 0.000 0.143 105 Y N -1.459 118.457 120.300 -0.640 0.000 2.765 105 Y HA -0.538 4.012 4.550 0.000 0.000 0.475 105 Y C 1.973 177.798 175.900 -0.124 0.000 1.123 105 Y CA 1.119 59.152 58.100 -0.112 0.000 2.832 105 Y CB -1.970 36.610 38.460 0.200 0.000 1.104 105 Y HN 0.589 nan 8.280 nan 0.000 0.602 106 A N 0.157 123.048 122.820 0.119 0.000 1.865 106 A HA -0.241 4.079 4.320 0.000 0.000 0.217 106 A C 1.789 179.315 177.584 -0.097 0.000 1.191 106 A CA 2.424 54.451 52.037 -0.017 0.000 0.623 106 A CB -0.802 18.223 19.000 0.041 0.000 0.826 106 A HN 0.579 nan 8.150 nan 0.000 0.444 107 R N -0.646 119.796 120.500 -0.098 0.000 2.105 107 R HA -0.099 4.242 4.340 0.000 0.000 0.239 107 R C 1.991 178.195 176.300 -0.160 0.000 1.135 107 R CA 1.677 57.700 56.100 -0.129 0.000 0.967 107 R CB -0.459 29.761 30.300 -0.133 0.000 0.861 107 R HN 0.650 nan 8.270 nan 0.000 0.442 108 I N -0.425 120.025 120.570 -0.200 0.000 2.163 108 I HA -0.279 3.891 4.170 0.000 0.000 0.240 108 I C 2.096 178.130 176.117 -0.138 0.000 1.081 108 I CA 1.183 62.385 61.300 -0.164 0.000 1.353 108 I CB -0.292 37.618 38.000 -0.151 0.000 1.054 108 I HN -0.003 nan 8.210 nan 0.000 0.407 109 V N 0.695 120.513 119.914 -0.160 0.000 2.324 109 V HA -0.333 3.787 4.120 0.000 0.000 0.250 109 V C 2.515 178.477 176.094 -0.220 0.000 1.060 109 V CA 2.135 64.298 62.300 -0.229 0.000 1.042 109 V CB -0.799 30.766 31.823 -0.431 0.000 0.650 109 V HN 0.504 nan 8.190 nan 0.000 0.450 110 E N 0.029 120.107 120.200 -0.203 0.000 2.085 110 E HA -0.271 4.079 4.350 0.000 0.000 0.194 110 E C 2.235 178.766 176.600 -0.115 0.000 0.994 110 E CA 1.822 58.128 56.400 -0.156 0.000 0.801 110 E CB -0.029 29.598 29.700 -0.122 0.000 0.743 110 E HN 0.732 nan 8.360 nan 0.000 0.453 111 E N 0.040 120.175 120.200 -0.109 0.000 2.028 111 E HA -0.155 4.195 4.350 0.000 0.000 0.191 111 E C 2.160 178.710 176.600 -0.083 0.000 0.988 111 E CA 0.830 57.178 56.400 -0.088 0.000 0.799 111 E CB 0.033 29.680 29.700 -0.087 0.000 0.755 111 E HN 0.095 nan 8.360 nan 0.000 0.447 112 K N 0.645 120.988 120.400 -0.094 0.000 2.211 112 K HA -0.111 4.209 4.320 0.000 0.000 0.204 112 K C 2.235 178.787 176.600 -0.081 0.000 1.047 112 K CA 0.682 56.914 56.287 -0.091 0.000 0.935 112 K CB -0.406 32.034 32.500 -0.100 0.000 0.728 112 K HN -0.004 nan 8.250 nan 0.000 0.452 113 S N 0.834 116.485 115.700 -0.082 0.000 2.368 113 S HA -0.096 4.374 4.470 0.000 0.000 0.224 113 S C 2.103 176.676 174.600 -0.045 0.000 1.029 113 S CA 1.030 59.195 58.200 -0.058 0.000 0.988 113 S CB -0.109 63.044 63.200 -0.079 0.000 0.838 113 S HN 0.052 nan 8.310 nan 0.000 0.462 114 V N 2.128 122.011 119.914 -0.053 0.000 2.343 114 V HA -0.143 3.977 4.120 0.000 0.000 0.247 114 V C 2.437 178.509 176.094 -0.038 0.000 1.051 114 V CA 1.858 64.133 62.300 -0.041 0.000 1.036 114 V CB -0.647 31.149 31.823 -0.044 0.000 0.654 114 V HN 0.482 nan 8.190 nan 0.000 0.451 115 L N -0.764 120.431 121.223 -0.047 0.000 2.046 115 L HA -0.200 4.140 4.340 0.000 0.000 0.208 115 L C 2.823 179.668 176.870 -0.041 0.000 1.077 115 L CA 1.706 56.519 54.840 -0.045 0.000 0.747 115 L CB -0.580 41.445 42.059 -0.057 0.000 0.896 115 L HN 0.254 nan 8.230 nan 0.000 0.432 116 R N -0.375 120.100 120.500 -0.043 0.000 2.081 116 R HA -0.153 4.187 4.340 0.000 0.000 0.235 116 R C 2.428 178.722 176.300 -0.010 0.000 1.131 116 R CA 1.293 57.376 56.100 -0.028 0.000 0.960 116 R CB -0.286 30.006 30.300 -0.013 0.000 0.856 116 R HN 0.354 nan 8.270 nan 0.000 0.436 117 R N 0.427 120.922 120.500 -0.010 0.000 2.096 117 R HA -0.144 4.196 4.340 0.000 0.000 0.235 117 R C 2.321 178.617 176.300 -0.008 0.000 1.127 117 R CA 1.059 57.156 56.100 -0.005 0.000 0.968 117 R CB -0.436 29.859 30.300 -0.007 0.000 0.861 117 R HN 0.115 nan 8.270 nan 0.000 0.440 118 L N 1.316 122.531 121.223 -0.014 0.000 1.943 118 L HA -0.191 4.149 4.340 0.000 0.000 0.215 118 L C 2.107 178.971 176.870 -0.010 0.000 1.074 118 L CA 1.729 56.560 54.840 -0.014 0.000 0.759 118 L CB -0.554 41.493 42.059 -0.019 0.000 0.888 118 L HN 0.115 nan 8.230 nan 0.000 0.433 119 I N -0.689 119.873 120.570 -0.013 0.000 2.113 119 I HA -0.448 3.722 4.170 0.000 0.000 0.242 119 I C 2.787 178.904 176.117 -0.001 0.000 1.057 119 I CA 1.996 63.290 61.300 -0.010 0.000 1.314 119 I CB -0.444 37.546 38.000 -0.017 0.000 1.022 119 I HN 0.386 nan 8.210 nan 0.000 0.408 120 R N 0.505 121.006 120.500 0.002 0.000 2.103 120 R HA -0.219 4.121 4.340 0.000 0.000 0.234 120 R C 2.483 178.787 176.300 0.008 0.000 1.132 120 R CA 2.821 58.926 56.100 0.008 0.000 0.925 120 R CB -0.513 29.794 30.300 0.012 0.000 0.842 120 R HN 0.560 nan 8.270 nan 0.000 0.430 121 T N -1.833 112.724 114.554 0.004 0.000 2.881 121 T HA -0.034 4.316 4.350 0.000 0.000 0.270 121 T C 1.880 176.582 174.700 0.004 0.000 1.068 121 T CA 1.079 63.181 62.100 0.003 0.000 1.131 121 T CB -0.246 68.622 68.868 -0.001 0.000 0.871 121 T HN 0.360 nan 8.240 nan 0.000 0.479 122 A N 1.804 124.625 122.820 0.002 0.000 1.872 122 A HA 0.038 4.358 4.320 0.000 0.000 0.214 122 A C 2.652 180.243 177.584 0.012 0.000 1.187 122 A CA 1.820 53.859 52.037 0.004 0.000 0.614 122 A CB -1.371 17.630 19.000 0.000 0.000 0.826 122 A HN 0.528 nan 8.150 nan 0.000 0.442 123 T N -0.186 114.377 114.554 0.015 0.000 2.720 123 T HA -0.172 4.178 4.350 0.000 0.000 0.268 123 T C 2.207 176.926 174.700 0.032 0.000 1.037 123 T CA 1.800 63.915 62.100 0.025 0.000 1.144 123 T CB -0.437 68.443 68.868 0.019 0.000 0.864 123 T HN 0.497 nan 8.240 nan 0.000 0.444 124 S N 0.420 116.135 115.700 0.024 0.000 2.400 124 S HA -0.056 4.415 4.470 0.000 0.000 0.232 124 S C 1.979 176.596 174.600 0.027 0.000 1.025 124 S CA 0.811 59.026 58.200 0.025 0.000 0.993 124 S CB -0.515 62.695 63.200 0.016 0.000 0.808 124 S HN 0.472 nan 8.310 nan 0.000 0.478 125 I N 1.145 121.726 120.570 0.019 0.000 2.233 125 I HA -0.096 4.074 4.170 0.000 0.000 0.243 125 I C 2.825 178.952 176.117 0.016 0.000 1.093 125 I CA 0.987 62.292 61.300 0.009 0.000 1.380 125 I CB -0.669 37.329 38.000 -0.003 0.000 1.067 125 I HN 0.365 nan 8.210 nan 0.000 0.413 126 A N 0.605 123.447 122.820 0.037 0.000 1.851 126 A HA -0.336 3.984 4.320 0.000 0.000 0.216 126 A C 2.232 179.926 177.584 0.183 0.000 1.195 126 A CA 2.330 54.415 52.037 0.079 0.000 0.622 126 A CB -0.922 18.141 19.000 0.104 0.000 0.831 126 A HN 0.466 nan 8.150 nan 0.000 0.444 127 Q N 0.174 120.072 119.800 0.163 0.000 2.096 127 Q HA -0.263 4.077 4.340 0.000 0.000 0.208 127 Q C 1.300 177.410 176.000 0.184 0.000 0.993 127 Q CA 2.595 58.505 55.803 0.177 0.000 0.862 127 Q CB -0.678 28.110 28.738 0.083 0.000 0.915 127 Q HN 0.627 nan 8.270 nan 0.000 0.416 128 D N -1.116 119.341 120.400 0.095 0.000 2.310 128 D HA 0.007 4.647 4.640 0.000 0.000 0.212 128 D C 1.521 177.832 176.300 0.020 0.000 0.965 128 D CA 1.103 55.136 54.000 0.054 0.000 0.879 128 D CB -0.408 40.405 40.800 0.022 0.000 0.921 128 D HN 0.519 nan 8.370 nan 0.000 0.510 129 G N -0.699 108.083 108.800 -0.029 0.000 2.443 129 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 129 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 129 G C 0.917 175.642 174.900 -0.292 0.000 1.131 129 G CA 0.545 45.511 45.100 -0.222 0.000 0.775 129 G HN 0.330 nan 8.290 nan 0.000 0.547 130 Y N 0.588 120.886 120.300 -0.002 0.000 2.509 130 Y HA 0.101 4.651 4.550 0.000 0.000 0.270 130 Y C 3.000 178.899 175.900 -0.002 0.000 1.103 130 Y CA 1.118 59.217 58.100 -0.002 0.000 1.278 130 Y CB -0.008 38.451 38.460 -0.002 0.000 1.087 130 Y HN 0.226 nan 8.280 nan 0.000 0.542 131 T N -2.261 112.375 114.554 0.137 0.000 3.051 131 T HA 0.213 4.563 4.350 0.000 0.000 0.255 131 T C 1.191 175.916 174.700 0.042 0.000 1.085 131 T CA 0.021 62.169 62.100 0.081 0.000 1.109 131 T CB 0.171 69.080 68.868 0.068 0.000 0.921 131 T HN 0.052 nan 8.240 nan 0.000 0.488 132 R N 0.692 121.206 120.500 0.024 0.000 2.271 132 R HA 0.588 4.928 4.340 0.000 0.000 0.175 132 R C 0.708 177.008 176.300 0.001 0.000 1.055 132 R CA -0.424 55.680 56.100 0.007 0.000 1.336 132 R CB 0.135 30.433 30.300 -0.004 0.000 1.733 132 R HN 0.214 nan 8.270 nan 0.000 0.565 133 E N -1.887 118.307 120.200 -0.010 0.000 3.557 133 E HA -0.147 4.203 4.350 0.000 0.000 0.385 133 E C -0.620 175.973 176.600 -0.011 0.000 0.471 133 E CA 0.528 56.919 56.400 -0.015 0.000 1.776 133 E CB -0.289 29.406 29.700 -0.008 0.000 2.005 133 E HN 0.627 nan 8.360 nan 0.000 0.501 134 D N -0.811 119.585 120.400 -0.006 0.000 4.086 134 D HA -0.208 4.432 4.640 0.000 0.000 0.197 134 D C 1.075 177.371 176.300 -0.006 0.000 1.042 134 D CA 2.436 56.434 54.000 -0.004 0.000 2.327 134 D CB -1.013 39.787 40.800 -0.000 0.000 1.166 134 D HN 0.360 nan 8.370 nan 0.000 0.431 135 E N -0.296 119.898 120.200 -0.010 0.000 2.288 135 E HA 0.201 4.551 4.350 0.000 0.000 0.200 135 E C 1.610 178.201 176.600 -0.015 0.000 0.880 135 E CA 0.384 56.778 56.400 -0.011 0.000 0.971 135 E CB 1.080 30.774 29.700 -0.010 0.000 0.954 135 E HN 0.327 nan 8.360 nan 0.000 0.489 136 I N 1.220 121.778 120.570 -0.021 0.000 4.374 136 I HA -0.491 3.679 4.170 0.000 0.000 0.078 136 I C 1.165 177.270 176.117 -0.020 0.000 0.592 136 I CA 2.266 63.552 61.300 -0.024 0.000 0.987 136 I CB -1.870 36.117 38.000 -0.021 0.000 0.884 136 I HN 0.220 nan 8.210 nan 0.000 0.180 137 D N 0.832 121.222 120.400 -0.015 0.000 2.213 137 D HA 0.100 4.740 4.640 0.000 0.000 0.205 137 D C 2.275 178.567 176.300 -0.014 0.000 0.961 137 D CA 1.296 55.288 54.000 -0.013 0.000 0.853 137 D CB -0.011 40.783 40.800 -0.010 0.000 0.967 137 D HN 0.417 nan 8.370 nan 0.000 0.496 138 V N 1.218 121.124 119.914 -0.013 0.000 2.379 138 V HA -0.137 3.984 4.120 0.000 0.000 0.245 138 V C 2.668 178.754 176.094 -0.014 0.000 1.044 138 V CA 0.817 63.110 62.300 -0.012 0.000 1.036 138 V CB -0.417 31.401 31.823 -0.009 0.000 0.664 138 V HN 0.145 nan 8.190 nan 0.000 0.453 139 L N -0.714 120.499 121.223 -0.016 0.000 2.043 139 L HA -0.215 4.125 4.340 0.000 0.000 0.212 139 L C 2.334 179.191 176.870 -0.022 0.000 1.075 139 L CA 1.768 56.595 54.840 -0.020 0.000 0.752 139 L CB -0.197 41.845 42.059 -0.028 0.000 0.891 139 L HN 0.308 nan 8.230 nan 0.000 0.432 140 L N -1.283 119.927 121.223 -0.022 0.000 2.341 140 L HA -0.125 4.215 4.340 0.000 0.000 0.214 140 L C 1.877 178.735 176.870 -0.019 0.000 1.115 140 L CA 0.451 55.278 54.840 -0.022 0.000 0.820 140 L CB -0.225 41.822 42.059 -0.021 0.000 0.944 140 L HN 0.243 nan 8.230 nan 0.000 0.452 141 D N 0.027 120.417 120.400 -0.018 0.000 2.144 141 D HA -0.149 4.491 4.640 0.000 0.000 0.207 141 D C 1.643 177.933 176.300 -0.017 0.000 0.970 141 D CA 1.035 55.024 54.000 -0.018 0.000 0.853 141 D CB 0.071 40.860 40.800 -0.018 0.000 1.007 141 D HN 0.445 nan 8.370 nan 0.000 0.469 142 E N 0.372 120.564 120.200 -0.015 0.000 2.505 142 E HA 0.125 4.475 4.350 0.000 0.000 0.197 142 E C 1.075 177.668 176.600 -0.012 0.000 1.111 142 E CA 0.225 56.617 56.400 -0.012 0.000 0.887 142 E CB 0.190 29.884 29.700 -0.009 0.000 0.913 142 E HN 0.090 nan 8.360 nan 0.000 0.517 143 A N 0.691 123.502 122.820 -0.014 0.000 2.140 143 A HA 0.039 4.359 4.320 0.000 0.000 0.209 143 A C 1.461 179.036 177.584 -0.015 0.000 1.181 143 A CA 0.332 52.360 52.037 -0.014 0.000 0.824 143 A CB 0.317 19.306 19.000 -0.018 0.000 0.879 143 A HN 0.135 nan 8.150 nan 0.000 0.480 144 D N -0.095 120.295 120.400 -0.016 0.000 2.202 144 D HA -0.064 4.576 4.640 0.000 0.000 0.214 144 D C 2.040 178.330 176.300 -0.016 0.000 0.967 144 D CA 0.911 54.901 54.000 -0.017 0.000 0.871 144 D CB -0.343 40.445 40.800 -0.020 0.000 1.020 144 D HN 0.420 nan 8.370 nan 0.000 0.474 145 R N 1.486 121.977 120.500 -0.016 0.000 2.113 145 R HA -0.188 4.152 4.340 0.000 0.000 0.244 145 R C 1.854 178.147 176.300 -0.011 0.000 1.142 145 R CA 1.609 57.700 56.100 -0.014 0.000 0.953 145 R CB 0.029 30.320 30.300 -0.014 0.000 0.860 145 R HN 0.060 nan 8.270 nan 0.000 0.438 146 K N -0.308 120.086 120.400 -0.010 0.000 2.155 146 K HA -0.016 4.304 4.320 0.000 0.000 0.203 146 K C 1.961 178.556 176.600 -0.008 0.000 1.052 146 K CA 0.681 56.964 56.287 -0.007 0.000 0.948 146 K CB 0.108 32.605 32.500 -0.005 0.000 0.728 146 K HN 0.256 nan 8.250 nan 0.000 0.448 147 I N 0.900 121.464 120.570 -0.010 0.000 2.876 147 I HA -0.083 4.087 4.170 0.000 0.000 0.264 147 I C 1.770 177.879 176.117 -0.012 0.000 1.204 147 I CA 0.822 62.116 61.300 -0.011 0.000 1.485 147 I CB -0.167 37.825 38.000 -0.012 0.000 1.103 147 I HN 0.211 nan 8.210 nan 0.000 0.446 148 M N 0.090 119.682 119.600 -0.013 0.000 2.492 148 M HA 0.008 4.488 4.480 0.000 0.000 0.262 148 M C 0.824 177.118 176.300 -0.012 0.000 1.090 148 M CA 0.739 56.031 55.300 -0.013 0.000 1.110 148 M CB -0.575 32.016 32.600 -0.015 0.000 1.407 148 M HN 0.131 nan 8.290 nan 0.000 0.470 184 T N 2.172 116.714 114.554 -0.019 0.000 2.688 184 T HA 0.631 4.982 4.350 0.000 0.000 0.237 184 T C 0.845 175.545 174.700 0.001 0.000 1.120 184 T CA 1.160 63.256 62.100 -0.006 0.000 1.469 184 T CB 0.150 69.017 68.868 -0.001 0.000 1.032 184 T HN 1.554 nan 8.240 nan 0.000 0.405 185 G N 0.628 109.435 108.800 0.010 0.000 2.260 185 G HA2 0.317 4.277 3.960 0.000 0.000 0.250 185 G HA3 0.317 4.277 3.960 0.000 0.000 0.250 185 G C -1.778 173.143 174.900 0.034 0.000 1.340 185 G CA -0.469 44.642 45.100 0.019 0.000 1.056 185 G HN 0.879 nan 8.290 nan 0.000 0.471 186 I N 1.629 122.229 120.570 0.050 0.000 2.599 186 I HA 0.342 4.512 4.170 0.000 0.000 0.285 186 I C -2.488 173.656 176.117 0.045 0.000 1.168 186 I CA -1.680 59.656 61.300 0.061 0.000 1.060 186 I CB 3.067 41.126 38.000 0.098 0.000 1.249 186 I HN 0.265 nan 8.210 nan 0.000 0.442 187 P HA 0.091 nan 4.420 nan 0.000 0.244 187 P C 1.031 178.284 177.300 -0.078 0.000 1.769 187 P CA -0.033 63.035 63.100 -0.055 0.000 1.102 187 P CB -0.080 31.589 31.700 -0.052 0.000 1.937 188 T N -0.031 114.499 114.554 -0.041 0.000 9.047 188 T HA -0.404 3.946 4.350 0.000 0.000 0.394 188 T C 1.606 176.052 174.700 -0.424 0.000 1.383 188 T CA 2.248 64.283 62.100 -0.107 0.000 2.426 188 T CB -2.211 66.583 68.868 -0.123 0.000 2.933 188 T HN 0.609 nan 8.240 nan 0.000 1.232 189 G N 1.162 109.753 108.800 -0.349 0.000 2.347 189 G HA2 -0.258 3.702 3.960 0.000 0.000 0.247 189 G HA3 -0.258 3.702 3.960 0.000 0.000 0.247 189 G C 0.135 174.845 174.900 -0.316 0.000 1.037 189 G CA 0.186 45.014 45.100 -0.453 0.000 0.622 189 G HN 0.832 nan 8.290 nan 0.000 0.521 190 F N 2.361 122.340 119.950 0.047 0.000 2.334 190 F HA 0.425 4.952 4.527 0.000 0.000 0.367 190 F C 1.929 177.746 175.800 0.028 0.000 1.115 190 F CA -0.335 57.701 58.000 0.060 0.000 1.116 190 F CB 1.300 40.366 39.000 0.110 0.000 1.230 190 F HN 0.023 nan 8.300 nan 0.000 0.484 191 T N 0.714 115.391 114.554 0.204 0.000 2.567 191 T HA -0.346 4.004 4.350 0.000 0.000 0.261 191 T C 1.512 176.260 174.700 0.079 0.000 1.123 191 T CA 2.352 64.515 62.100 0.105 0.000 1.166 191 T CB -0.344 68.576 68.868 0.088 0.000 0.860 191 T HN 0.766 nan 8.240 nan 0.000 0.436 192 E N 1.041 121.294 120.200 0.088 0.000 2.489 192 E HA 0.188 4.538 4.350 0.000 0.000 0.193 192 E C 1.971 178.599 176.600 0.047 0.000 1.057 192 E CA -0.079 56.352 56.400 0.053 0.000 0.866 192 E CB -0.158 29.567 29.700 0.042 0.000 0.916 192 E HN 0.325 nan 8.360 nan 0.000 0.500 193 L N 1.852 123.123 121.223 0.080 0.000 2.095 193 L HA -0.014 4.326 4.340 0.000 0.000 0.204 193 L C 1.193 178.037 176.870 -0.043 0.000 1.080 193 L CA 1.856 56.725 54.840 0.048 0.000 0.759 193 L CB -0.346 41.802 42.059 0.149 0.000 0.914 193 L HN -0.103 nan 8.230 nan 0.000 0.439 194 D N -0.167 120.210 120.400 -0.039 0.000 2.149 194 D HA -0.206 4.434 4.640 0.000 0.000 0.194 194 D C 2.252 178.510 176.300 -0.070 0.000 1.001 194 D CA 1.443 55.390 54.000 -0.088 0.000 0.849 194 D CB -0.107 40.664 40.800 -0.048 0.000 0.939 194 D HN 0.381 nan 8.370 nan 0.000 0.449 195 R N -0.249 120.232 120.500 -0.032 0.000 2.075 195 R HA 0.049 4.390 4.340 0.000 0.000 0.232 195 R C 2.374 178.658 176.300 -0.026 0.000 1.126 195 R CA 0.854 56.940 56.100 -0.022 0.000 0.963 195 R CB -0.305 29.993 30.300 -0.005 0.000 0.858 195 R HN 0.283 nan 8.270 nan 0.000 0.435 196 M N 0.299 119.883 119.600 -0.027 0.000 2.394 196 M HA -0.075 4.405 4.480 0.000 0.000 0.264 196 M C 1.917 178.195 176.300 -0.036 0.000 1.073 196 M CA 1.678 56.965 55.300 -0.022 0.000 1.111 196 M CB -0.074 32.519 32.600 -0.012 0.000 1.401 196 M HN 0.316 nan 8.290 nan 0.000 0.448 197 T N -4.741 109.770 114.554 -0.073 0.000 3.056 197 T HA 0.152 4.502 4.350 0.000 0.000 0.243 197 T C 0.803 175.445 174.700 -0.096 0.000 0.995 197 T CA 0.435 62.474 62.100 -0.101 0.000 1.091 197 T CB 0.093 68.831 68.868 -0.217 0.000 0.990 197 T HN 0.234 nan 8.240 nan 0.000 0.464 198 S N 1.057 116.692 115.700 -0.108 0.000 3.884 198 S HA 0.253 4.723 4.470 0.000 0.000 0.374 198 S C 0.805 175.352 174.600 -0.089 0.000 0.971 198 S CA 0.746 58.899 58.200 -0.079 0.000 1.152 198 S CB -2.080 61.096 63.200 -0.041 0.000 0.877 198 S HN 1.987 nan 8.310 nan 0.000 0.491 199 G N 0.163 108.862 108.800 -0.167 0.000 2.610 199 G HA2 0.301 4.261 3.960 0.000 0.000 0.304 199 G HA3 0.301 4.261 3.960 0.000 0.000 0.304 199 G C -0.558 174.133 174.900 -0.348 0.000 1.309 199 G CA -0.199 44.807 45.100 -0.157 0.000 0.906 199 G HN 1.567 nan 8.290 nan 0.000 0.521 200 F N -1.017 118.936 119.950 0.006 0.000 2.060 200 F HA -0.034 4.493 4.527 0.000 0.000 0.290 200 F C 0.860 176.657 175.800 -0.005 0.000 1.068 200 F CA 0.989 58.987 58.000 -0.004 0.000 1.020 200 F CB -1.999 36.993 39.000 -0.014 0.000 1.490 200 F HN 1.087 nan 8.300 nan 0.000 0.753 201 Q N 1.009 120.919 119.800 0.184 0.000 2.668 201 Q HA 0.865 5.205 4.340 0.000 0.000 0.298 201 Q C -0.916 175.128 176.000 0.073 0.000 1.071 201 Q CA -1.613 54.247 55.803 0.095 0.000 0.789 201 Q CB 2.150 30.925 28.738 0.063 0.000 1.497 201 Q HN 0.489 nan 8.270 nan 0.000 0.460 202 R N 0.226 120.753 120.500 0.045 0.000 2.215 202 R HA 0.480 4.821 4.340 0.000 0.000 0.337 202 R C -0.674 175.638 176.300 0.020 0.000 1.010 202 R CA 0.005 56.123 56.100 0.030 0.000 0.871 202 R CB 0.907 31.221 30.300 0.022 0.000 1.134 202 R HN 0.835 nan 8.270 nan 0.000 0.477 203 S N 0.550 116.259 115.700 0.016 0.000 2.066 203 S HA -0.088 4.382 4.470 0.000 0.000 0.234 203 S C -0.830 173.775 174.600 0.009 0.000 1.363 203 S CA -0.064 58.141 58.200 0.008 0.000 1.043 203 S CB -0.529 62.675 63.200 0.007 0.000 1.319 203 S HN 0.641 nan 8.310 nan 0.000 0.645 204 D N 1.432 121.843 120.400 0.018 0.000 2.175 204 D HA 0.568 5.208 4.640 0.000 0.000 0.248 204 D C -0.342 175.958 176.300 0.001 0.000 1.047 204 D CA -0.317 53.695 54.000 0.021 0.000 0.883 204 D CB 1.125 41.956 40.800 0.053 0.000 1.180 204 D HN 0.229 nan 8.370 nan 0.000 0.438 205 L N 2.848 124.067 121.223 -0.007 0.000 2.265 205 L HA 0.483 4.823 4.340 0.000 0.000 0.289 205 L C -1.235 175.619 176.870 -0.027 0.000 1.033 205 L CA -0.234 54.590 54.840 -0.028 0.000 0.814 205 L CB 0.482 42.525 42.059 -0.027 0.000 1.203 205 L HN 0.301 nan 8.230 nan 0.000 0.423 206 I N 6.706 127.241 120.570 -0.059 0.000 2.328 206 I HA 0.380 4.550 4.170 0.000 0.000 0.287 206 I C -0.227 175.850 176.117 -0.067 0.000 1.012 206 I CA -0.227 61.041 61.300 -0.053 0.000 1.195 206 I CB 1.419 39.346 38.000 -0.122 0.000 1.350 206 I HN 0.589 nan 8.210 nan 0.000 0.464 207 I N 7.532 128.067 120.570 -0.058 0.000 2.312 207 I HA 0.414 4.584 4.170 0.000 0.000 0.290 207 I C -0.876 175.186 176.117 -0.093 0.000 1.008 207 I CA -0.591 60.669 61.300 -0.067 0.000 1.226 207 I CB 0.894 38.853 38.000 -0.068 0.000 1.371 207 I HN 0.240 nan 8.210 nan 0.000 0.468 208 V N 8.349 128.242 119.914 -0.034 0.000 2.311 208 V HA 0.580 4.700 4.120 0.000 0.000 0.275 208 V C 0.468 176.564 176.094 0.002 0.000 1.022 208 V CA -0.409 61.889 62.300 -0.003 0.000 0.830 208 V CB 0.746 32.663 31.823 0.158 0.000 1.012 208 V HN 0.815 nan 8.190 nan 0.000 0.452 209 A N 4.262 127.047 122.820 -0.057 0.000 2.325 209 A HA 1.013 5.333 4.320 0.000 0.000 0.333 209 A C -0.007 177.692 177.584 0.191 0.000 1.155 209 A CA -0.093 51.995 52.037 0.084 0.000 0.814 209 A CB 1.523 20.613 19.000 0.150 0.000 1.206 209 A HN 1.503 nan 8.150 nan 0.000 0.482 210 A N 1.930 124.838 122.820 0.147 0.000 2.594 210 A HA 0.639 4.959 4.320 0.000 0.000 0.296 210 A C -0.360 177.261 177.584 0.062 0.000 1.061 210 A CA -0.812 51.295 52.037 0.116 0.000 0.689 210 A CB 0.877 19.914 19.000 0.061 0.000 1.280 210 A HN 0.814 nan 8.150 nan 0.000 0.406 211 R N 0.727 121.257 120.500 0.050 0.000 2.784 211 R HA 0.269 4.609 4.340 0.000 0.000 0.266 211 R C -2.358 173.933 176.300 -0.014 0.000 1.044 211 R CA -1.088 55.023 56.100 0.019 0.000 1.151 211 R CB -0.250 30.061 30.300 0.018 0.000 1.037 211 R HN 0.421 nan 8.270 nan 0.000 0.478 212 P HA -0.071 nan 4.420 nan 0.000 0.261 212 P C -0.320 176.956 177.300 -0.039 0.000 1.173 212 P CA 0.779 63.849 63.100 -0.050 0.000 0.760 212 P CB 0.402 32.080 31.700 -0.036 0.000 0.783 213 S N -0.012 115.662 115.700 -0.043 0.000 3.635 213 S HA -0.127 4.343 4.470 0.000 0.000 0.328 213 S C 1.009 175.578 174.600 -0.051 0.000 1.135 213 S CA 0.692 58.872 58.200 -0.033 0.000 0.942 213 S CB -1.912 61.275 63.200 -0.022 0.000 0.930 213 S HN 0.369 nan 8.310 nan 0.000 0.512 214 V N -0.624 119.256 119.914 -0.057 0.000 2.685 214 V HA 0.400 4.521 4.120 0.000 0.000 0.244 214 V C 1.788 177.800 176.094 -0.137 0.000 1.054 214 V CA 1.479 63.723 62.300 -0.093 0.000 1.076 214 V CB 0.514 32.303 31.823 -0.056 0.000 0.725 214 V HN 1.151 nan 8.190 nan 0.000 0.467 215 G N 0.801 109.578 108.800 -0.038 0.000 2.332 215 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 215 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 215 G C 0.572 175.602 174.900 0.216 0.000 1.041 215 G CA 0.247 45.383 45.100 0.060 0.000 0.836 215 G HN 0.511 nan 8.290 nan 0.000 0.530 216 K N -0.426 120.046 120.400 0.120 0.000 2.147 216 K HA 0.027 4.347 4.320 0.000 0.000 0.205 216 K C 2.043 178.764 176.600 0.202 0.000 1.049 216 K CA 2.305 58.684 56.287 0.154 0.000 0.936 216 K CB -0.520 32.028 32.500 0.079 0.000 0.722 216 K HN 0.200 nan 8.250 nan 0.000 0.446 217 T N 1.026 115.674 114.554 0.157 0.000 2.698 217 T HA 0.013 4.363 4.350 0.000 0.000 0.260 217 T C 2.172 177.002 174.700 0.216 0.000 1.044 217 T CA 1.164 63.355 62.100 0.151 0.000 1.149 217 T CB -0.565 68.369 68.868 0.110 0.000 0.864 217 T HN 0.391 nan 8.240 nan 0.000 0.419 218 A N 0.748 123.743 122.820 0.291 0.000 2.131 218 A HA -0.033 4.287 4.320 0.000 0.000 0.220 218 A C 1.898 179.841 177.584 0.599 0.000 1.158 218 A CA 1.183 53.465 52.037 0.407 0.000 0.665 218 A CB -0.890 18.388 19.000 0.463 0.000 0.795 218 A HN 0.519 nan 8.150 nan 0.000 0.460 219 F N 0.059 120.215 119.950 0.342 0.000 2.317 219 F HA 0.313 4.840 4.527 0.000 0.000 0.290 219 F C 2.310 178.190 175.800 0.134 0.000 1.075 219 F CA 0.650 58.723 58.000 0.121 0.000 1.380 219 F CB -0.498 38.298 39.000 -0.340 0.000 1.093 219 F HN 0.178 nan 8.300 nan 0.000 0.524 220 A N 1.073 123.847 122.820 -0.077 0.000 1.930 220 A HA -0.065 4.256 4.320 0.000 0.000 0.217 220 A C 2.291 179.814 177.584 -0.101 0.000 1.175 220 A CA 1.593 53.511 52.037 -0.199 0.000 0.627 220 A CB -1.162 17.811 19.000 -0.045 0.000 0.815 220 A HN 0.484 nan 8.150 nan 0.000 0.443 221 L N -0.171 121.068 121.223 0.027 0.000 2.046 221 L HA -0.218 4.122 4.340 0.000 0.000 0.208 221 L C 2.262 179.162 176.870 0.050 0.000 1.077 221 L CA 1.547 56.417 54.840 0.051 0.000 0.747 221 L CB -0.659 41.462 42.059 0.102 0.000 0.896 221 L HN 0.531 nan 8.230 nan 0.000 0.432 222 N N 0.029 118.798 118.700 0.115 0.000 2.270 222 N HA -0.113 4.627 4.740 0.000 0.000 0.181 222 N C 1.912 177.414 175.510 -0.013 0.000 1.016 222 N CA 0.978 54.120 53.050 0.153 0.000 0.870 222 N CB 0.054 38.801 38.487 0.434 0.000 0.979 222 N HN 0.335 nan 8.380 nan 0.000 0.431 223 I N 1.605 122.109 120.570 -0.111 0.000 2.163 223 I HA -0.206 3.965 4.170 0.000 0.000 0.240 223 I C 2.634 178.679 176.117 -0.119 0.000 1.081 223 I CA 0.761 61.951 61.300 -0.183 0.000 1.353 223 I CB -0.383 37.472 38.000 -0.241 0.000 1.054 223 I HN 0.060 nan 8.210 nan 0.000 0.407 224 A N 0.048 122.811 122.820 -0.095 0.000 1.917 224 A HA -0.323 3.997 4.320 0.000 0.000 0.219 224 A C 2.324 179.881 177.584 -0.046 0.000 1.182 224 A CA 2.124 54.125 52.037 -0.060 0.000 0.633 224 A CB -0.808 18.167 19.000 -0.042 0.000 0.819 224 A HN 0.526 nan 8.150 nan 0.000 0.448 225 Q N -0.378 119.400 119.800 -0.037 0.000 2.016 225 Q HA -0.218 4.122 4.340 0.000 0.000 0.200 225 Q C 1.944 177.915 176.000 -0.048 0.000 0.978 225 Q CA 1.919 57.706 55.803 -0.028 0.000 0.833 225 Q CB -0.220 28.519 28.738 0.002 0.000 0.895 225 Q HN 0.858 nan 8.270 nan 0.000 0.427 226 N N -0.670 117.979 118.700 -0.085 0.000 2.104 226 N HA -0.161 4.579 4.740 0.000 0.000 0.190 226 N C 1.756 177.216 175.510 -0.084 0.000 1.024 226 N CA 1.400 54.381 53.050 -0.114 0.000 0.853 226 N CB -0.008 38.339 38.487 -0.235 0.000 1.008 226 N HN 0.023 nan 8.380 nan 0.000 0.424 227 V N 0.997 120.867 119.914 -0.072 0.000 2.407 227 V HA -0.206 3.914 4.120 0.000 0.000 0.248 227 V C 2.261 178.339 176.094 -0.026 0.000 1.055 227 V CA 1.904 64.181 62.300 -0.039 0.000 1.049 227 V CB -0.857 30.953 31.823 -0.023 0.000 0.662 227 V HN 0.387 nan 8.190 nan 0.000 0.455 228 A N 0.890 123.692 122.820 -0.029 0.000 1.843 228 A HA -0.160 4.160 4.320 0.000 0.000 0.213 228 A C 2.519 180.088 177.584 -0.026 0.000 1.202 228 A CA 2.178 54.201 52.037 -0.023 0.000 0.607 228 A CB -1.068 17.913 19.000 -0.030 0.000 0.847 228 A HN 0.579 nan 8.150 nan 0.000 0.445 229 T N -1.990 112.546 114.554 -0.030 0.000 2.821 229 T HA -0.052 4.298 4.350 0.000 0.000 0.267 229 T C 1.731 176.417 174.700 -0.024 0.000 1.046 229 T CA 1.694 63.778 62.100 -0.026 0.000 1.139 229 T CB -0.168 68.685 68.868 -0.024 0.000 0.871 229 T HN 0.460 nan 8.240 nan 0.000 0.454 230 K N -0.088 120.294 120.400 -0.029 0.000 2.334 230 K HA 0.187 4.507 4.320 0.000 0.000 0.195 230 K C 2.362 178.949 176.600 -0.021 0.000 1.045 230 K CA 0.658 56.928 56.287 -0.027 0.000 1.004 230 K CB 0.224 32.701 32.500 -0.038 0.000 0.837 230 K HN 0.334 nan 8.250 nan 0.000 0.510 231 T N -0.296 114.246 114.554 -0.019 0.000 3.523 231 T HA 0.035 4.385 4.350 0.000 0.000 0.216 231 T C 0.192 174.889 174.700 -0.005 0.000 0.922 231 T CA 0.710 62.803 62.100 -0.011 0.000 1.558 231 T CB 0.120 68.983 68.868 -0.007 0.000 1.424 231 T HN 0.125 nan 8.240 nan 0.000 0.452 232 N N 0.656 119.356 118.700 0.000 0.000 3.907 232 N HA -0.030 4.710 4.740 0.000 0.000 0.118 232 N C -1.533 173.986 175.510 0.015 0.000 0.822 232 N CA 0.067 53.121 53.050 0.006 0.000 3.297 232 N CB -0.725 37.765 38.487 0.005 0.000 1.205 232 N HN 0.490 nan 8.380 nan 0.000 0.813 233 E N 0.289 120.500 120.200 0.018 0.000 2.260 233 E HA 0.443 4.793 4.350 0.000 0.000 0.266 233 E C -0.941 175.684 176.600 0.042 0.000 0.887 233 E CA -0.606 55.810 56.400 0.026 0.000 0.777 233 E CB 0.577 30.288 29.700 0.018 0.000 1.205 233 E HN 0.170 nan 8.360 nan 0.000 0.414 234 N N 2.189 120.931 118.700 0.069 0.000 2.492 234 N HA 0.176 4.916 4.740 0.000 0.000 0.262 234 N C -0.453 175.117 175.510 0.100 0.000 1.202 234 N CA -0.061 53.068 53.050 0.132 0.000 0.926 234 N CB 1.097 39.707 38.487 0.205 0.000 1.078 234 N HN 0.307 nan 8.380 nan 0.000 0.454 235 V N -1.610 118.376 119.914 0.120 0.000 2.555 235 V HA 0.872 4.993 4.120 0.000 0.000 0.302 235 V C -0.064 176.090 176.094 0.099 0.000 1.038 235 V CA -1.265 61.077 62.300 0.071 0.000 0.887 235 V CB 1.296 33.132 31.823 0.021 0.000 0.991 235 V HN 0.679 nan 8.190 nan 0.000 0.434 236 A N 5.970 128.813 122.820 0.039 0.000 2.271 236 A HA 0.870 5.190 4.320 0.000 0.000 0.317 236 A C -0.433 177.114 177.584 -0.062 0.000 1.245 236 A CA -0.633 51.385 52.037 -0.032 0.000 0.857 236 A CB 0.309 19.294 19.000 -0.024 0.000 1.175 236 A HN 0.907 nan 8.150 nan 0.000 0.512 237 I N 2.061 122.529 120.570 -0.169 0.000 2.378 237 I HA 0.394 4.564 4.170 0.000 0.000 0.291 237 I C -1.229 174.704 176.117 -0.307 0.000 0.992 237 I CA -0.308 60.925 61.300 -0.111 0.000 1.154 237 I CB 1.622 39.593 38.000 -0.048 0.000 1.315 237 I HN 0.547 nan 8.210 nan 0.000 0.448 238 F N 3.640 123.602 119.950 0.021 0.000 2.402 238 F HA 0.258 4.785 4.527 0.000 0.000 0.355 238 F C 0.824 176.644 175.800 0.033 0.000 1.123 238 F CA -0.522 57.491 58.000 0.021 0.000 1.021 238 F CB 1.813 40.817 39.000 0.008 0.000 1.160 238 F HN 0.434 nan 8.300 nan 0.000 0.451 239 S N 4.257 120.051 115.700 0.156 0.000 2.457 239 S HA 0.252 4.722 4.470 0.000 0.000 0.237 239 S C 1.213 175.889 174.600 0.127 0.000 1.213 239 S CA -0.494 57.782 58.200 0.126 0.000 1.218 239 S CB -0.526 62.721 63.200 0.078 0.000 0.922 239 S HN 0.699 nan 8.310 nan 0.000 0.488 240 L N 0.265 121.571 121.223 0.138 0.000 2.082 240 L HA -0.273 4.068 4.340 0.000 0.000 0.223 240 L C 2.815 179.740 176.870 0.092 0.000 1.086 240 L CA 2.411 57.306 54.840 0.091 0.000 0.793 240 L CB -0.726 41.351 42.059 0.030 0.000 0.896 240 L HN 0.612 nan 8.230 nan 0.000 0.441 241 E N 0.543 120.832 120.200 0.148 0.000 2.011 241 E HA -0.121 4.229 4.350 0.000 0.000 0.191 241 E C 1.162 177.830 176.600 0.113 0.000 0.980 241 E CA 0.545 57.045 56.400 0.167 0.000 0.814 241 E CB 0.055 29.929 29.700 0.289 0.000 0.775 241 E HN 0.416 nan 8.360 nan 0.000 0.454 242 M N 1.147 120.811 119.600 0.107 0.000 2.250 242 M HA 0.256 4.736 4.480 0.000 0.000 0.344 242 M C 0.257 176.593 176.300 0.060 0.000 1.150 242 M CA -0.632 54.713 55.300 0.075 0.000 1.147 242 M CB 1.445 34.087 32.600 0.069 0.000 1.498 242 M HN -0.075 nan 8.290 nan 0.000 0.461 243 S N 2.351 118.078 115.700 0.045 0.000 2.587 243 S HA 0.366 4.836 4.470 0.000 0.000 0.260 243 S C 1.059 175.675 174.600 0.028 0.000 1.353 243 S CA -0.303 57.917 58.200 0.034 0.000 0.995 243 S CB 0.740 63.956 63.200 0.026 0.000 0.912 243 S HN 0.906 nan 8.310 nan 0.000 0.568 244 A N 0.278 123.110 122.820 0.019 0.000 2.066 244 A HA 0.021 4.342 4.320 0.000 0.000 0.218 244 A C 2.014 179.600 177.584 0.004 0.000 1.157 244 A CA 1.026 53.068 52.037 0.008 0.000 0.670 244 A CB -0.611 18.389 19.000 0.001 0.000 0.804 244 A HN 0.847 nan 8.150 nan 0.000 0.453 245 Q N -1.559 118.245 119.800 0.007 0.000 2.317 245 Q HA 0.113 4.453 4.340 0.000 0.000 0.220 245 Q C 1.828 177.831 176.000 0.005 0.000 0.873 245 Q CA 0.411 56.215 55.803 0.003 0.000 0.936 245 Q CB 0.352 29.091 28.738 0.001 0.000 1.105 245 Q HN 0.770 nan 8.270 nan 0.000 0.520 246 Q N 0.489 120.296 119.800 0.012 0.000 2.398 246 Q HA 0.011 4.351 4.340 0.000 0.000 0.204 246 Q C 1.668 177.681 176.000 0.022 0.000 0.932 246 Q CA 0.366 56.178 55.803 0.015 0.000 0.916 246 Q CB 0.368 29.118 28.738 0.020 0.000 1.024 246 Q HN 0.475 nan 8.270 nan 0.000 0.504 247 L N -0.201 121.036 121.223 0.023 0.000 2.162 247 L HA -0.064 4.276 4.340 0.000 0.000 0.205 247 L C 2.028 178.910 176.870 0.021 0.000 1.086 247 L CA 0.509 55.367 54.840 0.029 0.000 0.778 247 L CB -0.036 42.039 42.059 0.028 0.000 0.928 247 L HN 0.019 nan 8.230 nan 0.000 0.446 248 V N 0.812 120.731 119.914 0.009 0.000 2.295 248 V HA -0.347 3.774 4.120 0.000 0.000 0.246 248 V C 2.532 178.630 176.094 0.005 0.000 1.049 248 V CA 2.537 64.838 62.300 0.001 0.000 1.024 248 V CB -0.589 31.229 31.823 -0.009 0.000 0.648 248 V HN 0.516 nan 8.190 nan 0.000 0.447 249 M N -0.591 119.011 119.600 0.003 0.000 2.159 249 M HA -0.154 4.326 4.480 0.000 0.000 0.263 249 M C 2.270 178.577 176.300 0.013 0.000 1.063 249 M CA 1.752 57.052 55.300 -0.001 0.000 1.110 249 M CB -0.695 31.898 32.600 -0.012 0.000 1.374 249 M HN 0.074 nan 8.290 nan 0.000 0.411 250 R N 1.062 121.577 120.500 0.025 0.000 2.193 250 R HA -0.076 4.264 4.340 0.000 0.000 0.229 250 R C 2.116 178.452 176.300 0.060 0.000 1.110 250 R CA 1.572 57.699 56.100 0.045 0.000 0.988 250 R CB -0.311 30.024 30.300 0.059 0.000 0.871 250 R HN 0.630 nan 8.270 nan 0.000 0.458 251 M N -2.429 117.200 119.600 0.047 0.000 2.367 251 M HA 0.155 4.635 4.480 0.000 0.000 0.256 251 M C 1.289 177.610 176.300 0.036 0.000 1.091 251 M CA 0.707 56.037 55.300 0.050 0.000 1.049 251 M CB 0.338 32.962 32.600 0.041 0.000 1.406 251 M HN -0.041 nan 8.290 nan 0.000 0.498 252 L N 0.463 121.701 121.223 0.024 0.000 2.072 252 L HA -0.104 4.236 4.340 0.000 0.000 0.205 252 L C 2.458 179.349 176.870 0.034 0.000 1.079 252 L CA 1.077 55.928 54.840 0.019 0.000 0.752 252 L CB -0.438 41.623 42.059 0.003 0.000 0.906 252 L HN 0.541 nan 8.230 nan 0.000 0.436 253 C N -0.239 119.084 119.300 0.039 0.000 2.413 253 C HA -0.166 4.294 4.460 0.000 0.000 0.276 253 C C 3.042 178.102 174.990 0.117 0.000 1.248 253 C CA 0.751 59.810 59.018 0.068 0.000 1.742 253 C CB -1.071 26.688 27.740 0.031 0.000 2.017 253 C HN 0.620 nan 8.230 nan 0.000 0.481 254 A N -0.367 122.507 122.820 0.090 0.000 2.131 254 A HA -0.147 4.173 4.320 0.000 0.000 0.220 254 A C 1.538 179.161 177.584 0.065 0.000 1.158 254 A CA 1.688 53.782 52.037 0.095 0.000 0.665 254 A CB -0.261 18.804 19.000 0.108 0.000 0.795 254 A HN 0.768 nan 8.150 nan 0.000 0.460 255 E N -1.758 118.471 120.200 0.049 0.000 3.361 255 E HA 0.442 4.792 4.350 0.000 0.000 0.379 255 E C 1.416 178.018 176.600 0.004 0.000 0.442 255 E CA 0.118 56.529 56.400 0.018 0.000 2.366 255 E CB -0.103 29.605 29.700 0.014 0.000 2.164 255 E HN 0.199 nan 8.360 nan 0.000 0.446 256 G N 1.202 110.005 108.800 0.004 0.000 4.750 256 G HA2 -0.346 3.614 3.960 0.000 0.000 0.244 256 G HA3 -0.346 3.614 3.960 0.000 0.000 0.244 256 G C -0.213 174.675 174.900 -0.020 0.000 0.874 256 G CA 1.218 46.316 45.100 -0.003 0.000 0.573 256 G HN 0.596 nan 8.290 nan 0.000 0.843 257 N N -1.253 117.390 118.700 -0.094 0.000 2.684 257 N HA -0.168 4.572 4.740 0.000 0.000 0.284 257 N C -0.083 175.657 175.510 0.383 0.000 1.067 257 N CA 1.286 54.125 53.050 -0.352 0.000 0.791 257 N CB -0.830 37.121 38.487 -0.894 0.000 0.934 257 N HN 0.638 nan 8.380 nan 0.000 0.566 258 I N -0.064 120.803 120.570 0.496 0.000 2.530 258 I HA 0.531 4.701 4.170 0.000 0.000 0.297 258 I C 0.403 176.539 176.117 0.032 0.000 1.011 258 I CA -1.045 60.412 61.300 0.261 0.000 1.107 258 I CB 2.024 40.072 38.000 0.078 0.000 1.285 258 I HN 0.333 nan 8.210 nan 0.000 0.436 259 N N 4.606 123.226 118.700 -0.134 0.000 4.180 259 N HA -0.029 4.711 4.740 0.000 0.000 0.257 259 N C -0.857 174.451 175.510 -0.336 0.000 2.147 259 N CA 0.666 53.583 53.050 -0.222 0.000 2.625 259 N CB -0.570 37.819 38.487 -0.163 0.000 0.493 259 N HN 0.908 nan 8.380 nan 0.000 0.530 260 A N 3.464 126.148 122.820 -0.227 0.000 2.533 260 A HA 0.209 4.529 4.320 0.000 0.000 0.180 260 A C 1.287 178.797 177.584 -0.123 0.000 1.566 260 A CA 0.693 52.619 52.037 -0.185 0.000 1.153 260 A CB -0.054 18.836 19.000 -0.184 0.000 1.462 260 A HN 0.471 nan 8.150 nan 0.000 0.523 261 Q N 0.478 120.209 119.800 -0.115 0.000 2.224 261 Q HA -0.005 4.335 4.340 0.000 0.000 0.203 261 Q C 0.692 176.641 176.000 -0.085 0.000 0.970 261 Q CA 1.393 57.143 55.803 -0.089 0.000 0.865 261 Q CB 0.122 28.812 28.738 -0.079 0.000 0.922 261 Q HN 0.663 nan 8.270 nan 0.000 0.445 262 N N -1.800 116.843 118.700 -0.095 0.000 2.571 262 N HA 0.081 4.821 4.740 0.000 0.000 0.273 262 N C -0.021 175.416 175.510 -0.120 0.000 1.340 262 N CA -0.413 52.572 53.050 -0.109 0.000 0.789 262 N CB 0.796 39.226 38.487 -0.096 0.000 1.514 262 N HN -0.109 nan 8.380 nan 0.000 0.499 263 L N 1.934 123.082 121.223 -0.126 0.000 2.079 263 L HA 0.032 4.372 4.340 0.000 0.000 0.210 263 L C 2.327 179.137 176.870 -0.099 0.000 1.081 263 L CA 1.592 56.353 54.840 -0.132 0.000 0.752 263 L CB -0.589 41.402 42.059 -0.113 0.000 0.896 263 L HN 0.588 nan 8.230 nan 0.000 0.433 264 R N -1.418 119.036 120.500 -0.077 0.000 2.070 264 R HA -0.103 4.237 4.340 0.000 0.000 0.232 264 R C 1.248 177.516 176.300 -0.052 0.000 1.138 264 R CA 1.557 57.624 56.100 -0.056 0.000 0.936 264 R CB -0.873 29.399 30.300 -0.047 0.000 0.839 264 R HN 0.225 nan 8.270 nan 0.000 0.429 265 T N 0.575 115.095 114.554 -0.056 0.000 4.313 265 T HA 0.245 4.595 4.350 0.000 0.000 0.272 265 T C 0.926 175.597 174.700 -0.050 0.000 1.298 265 T CA 0.369 62.442 62.100 -0.046 0.000 1.124 265 T CB -0.770 68.073 68.868 -0.042 0.000 1.352 265 T HN 0.532 nan 8.240 nan 0.000 1.013 266 G N 4.103 112.874 108.800 -0.048 0.000 2.698 266 G HA2 -0.326 3.634 3.960 0.000 0.000 0.337 266 G HA3 -0.326 3.634 3.960 0.000 0.000 0.337 266 G C -0.037 174.822 174.900 -0.069 0.000 1.196 266 G CA 0.587 45.661 45.100 -0.043 0.000 0.965 266 G HN 0.733 nan 8.290 nan 0.000 0.550 267 K N 0.655 121.029 120.400 -0.043 0.000 2.237 267 K HA 0.709 5.029 4.320 0.000 0.000 0.270 267 K C 0.420 176.971 176.600 -0.082 0.000 1.015 267 K CA -0.053 56.212 56.287 -0.037 0.000 0.949 267 K CB 0.813 33.330 32.500 0.029 0.000 0.976 267 K HN 0.491 nan 8.250 nan 0.000 0.472 268 L N 0.315 121.465 121.223 -0.123 0.000 2.271 268 L HA 0.586 4.926 4.340 0.000 0.000 0.265 268 L C 0.266 177.129 176.870 -0.013 0.000 1.013 268 L CA -1.123 53.611 54.840 -0.178 0.000 0.820 268 L CB 1.809 43.563 42.059 -0.507 0.000 1.352 268 L HN 0.675 nan 8.230 nan 0.000 0.443 269 T N -3.336 111.222 114.554 0.007 0.000 2.912 269 T HA 0.335 4.685 4.350 0.000 0.000 0.280 269 T C -2.005 172.806 174.700 0.184 0.000 0.989 269 T CA -1.809 60.345 62.100 0.091 0.000 0.995 269 T CB 1.316 70.214 68.868 0.049 0.000 1.077 269 T HN 0.410 nan 8.240 nan 0.000 0.531 270 P HA -0.076 nan 4.420 nan 0.000 0.218 270 P C 1.427 178.827 177.300 0.166 0.000 1.146 270 P CA 1.684 64.903 63.100 0.199 0.000 0.813 270 P CB -0.258 31.507 31.700 0.108 0.000 0.778 271 E N 0.728 120.994 120.200 0.111 0.000 2.152 271 E HA -0.173 4.177 4.350 0.000 0.000 0.192 271 E C 1.683 178.332 176.600 0.081 0.000 0.983 271 E CA 1.339 57.790 56.400 0.084 0.000 0.818 271 E CB -1.241 28.494 29.700 0.058 0.000 0.758 271 E HN 0.267 nan 8.360 nan 0.000 0.467 272 D N -0.868 119.568 120.400 0.058 0.000 2.103 272 D HA -0.078 4.562 4.640 0.000 0.000 0.199 272 D C 1.791 178.098 176.300 0.012 0.000 0.978 272 D CA 0.739 54.734 54.000 -0.008 0.000 0.829 272 D CB -0.457 40.275 40.800 -0.113 0.000 0.981 272 D HN 0.671 nan 8.370 nan 0.000 0.464 273 W N 1.457 122.763 121.300 0.011 0.000 2.332 273 W HA -0.080 4.580 4.660 0.000 0.000 0.321 273 W C 2.303 178.826 176.519 0.008 0.000 1.219 273 W CA 1.336 58.685 57.345 0.008 0.000 1.277 273 W CB -0.524 28.939 29.460 0.005 0.000 1.161 273 W HN 0.021 nan 8.180 nan 0.000 0.476 274 G N -0.397 108.574 108.800 0.284 0.000 3.028 274 G HA2 -0.117 3.843 3.960 0.000 0.000 0.205 274 G HA3 -0.117 3.843 3.960 0.000 0.000 0.205 274 G C 1.080 176.047 174.900 0.111 0.000 1.182 274 G CA 0.550 45.745 45.100 0.158 0.000 0.860 274 G HN 0.211 nan 8.290 nan 0.000 0.507 275 K N -1.258 119.210 120.400 0.113 0.000 2.418 275 K HA 0.238 4.559 4.320 0.000 0.000 0.208 275 K C 2.031 178.666 176.600 0.058 0.000 1.261 275 K CA -0.451 55.877 56.287 0.068 0.000 0.874 275 K CB -0.142 32.391 32.500 0.055 0.000 1.451 275 K HN 0.091 nan 8.250 nan 0.000 0.466 276 L N 2.075 123.329 121.223 0.052 0.000 2.064 276 L HA -0.250 4.090 4.340 0.000 0.000 0.216 276 L C 2.278 179.189 176.870 0.068 0.000 1.077 276 L CA 2.306 57.169 54.840 0.037 0.000 0.766 276 L CB -0.944 41.110 42.059 -0.009 0.000 0.890 276 L HN 0.362 nan 8.230 nan 0.000 0.435 277 T N -1.439 113.183 114.554 0.113 0.000 2.699 277 T HA -0.268 4.082 4.350 0.000 0.000 0.268 277 T C 1.811 176.545 174.700 0.057 0.000 1.036 277 T CA 2.204 64.364 62.100 0.099 0.000 1.147 277 T CB -0.098 68.837 68.868 0.112 0.000 0.862 277 T HN 0.430 nan 8.240 nan 0.000 0.446 278 M N 0.382 120.010 119.600 0.047 0.000 2.193 278 M HA 0.202 4.682 4.480 0.000 0.000 0.265 278 M C 2.884 179.196 176.300 0.020 0.000 1.071 278 M CA 1.324 56.641 55.300 0.028 0.000 1.140 278 M CB -0.719 31.895 32.600 0.023 0.000 1.369 278 M HN 0.339 nan 8.290 nan 0.000 0.423 279 A N 1.058 123.891 122.820 0.022 0.000 1.883 279 A HA -0.165 4.155 4.320 0.000 0.000 0.217 279 A C 2.264 179.855 177.584 0.011 0.000 1.186 279 A CA 1.748 53.794 52.037 0.015 0.000 0.624 279 A CB -0.723 18.287 19.000 0.017 0.000 0.822 279 A HN 0.443 nan 8.150 nan 0.000 0.444 280 M N -0.804 118.807 119.600 0.018 0.000 2.080 280 M HA -0.152 4.328 4.480 0.000 0.000 0.260 280 M C 2.328 178.632 176.300 0.008 0.000 1.068 280 M CA 1.626 56.934 55.300 0.014 0.000 1.109 280 M CB -0.665 31.952 32.600 0.028 0.000 1.342 280 M HN 0.550 nan 8.290 nan 0.000 0.405 281 G N -0.220 108.588 108.800 0.014 0.000 2.446 281 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 281 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 281 G C 1.585 176.484 174.900 -0.002 0.000 1.168 281 G CA 1.445 46.549 45.100 0.007 0.000 0.771 281 G HN 0.584 nan 8.290 nan 0.000 0.551 282 S N 0.170 115.869 115.700 -0.001 0.000 2.387 282 S HA 0.066 4.536 4.470 0.000 0.000 0.226 282 S C 2.230 176.821 174.600 -0.014 0.000 1.026 282 S CA 1.052 59.248 58.200 -0.007 0.000 0.972 282 S CB -0.303 62.894 63.200 -0.005 0.000 0.814 282 S HN 0.147 nan 8.310 nan 0.000 0.477 283 L N 1.826 123.041 121.223 -0.014 0.000 2.376 283 L HA 0.202 4.542 4.340 0.000 0.000 0.219 283 L C 2.585 179.433 176.870 -0.036 0.000 1.133 283 L CA 1.010 55.836 54.840 -0.024 0.000 0.816 283 L CB -0.565 41.483 42.059 -0.018 0.000 0.933 283 L HN 0.438 nan 8.230 nan 0.000 0.449 284 S N -0.313 115.370 115.700 -0.029 0.000 2.423 284 S HA -0.099 4.371 4.470 0.000 0.000 0.231 284 S C 1.551 176.124 174.600 -0.045 0.000 1.014 284 S CA 1.407 59.586 58.200 -0.035 0.000 0.965 284 S CB -0.242 62.946 63.200 -0.020 0.000 0.785 284 S HN 0.620 nan 8.310 nan 0.000 0.495 285 N N 1.095 119.772 118.700 -0.038 0.000 2.236 285 N HA 0.295 5.035 4.740 0.000 0.000 0.196 285 N C 0.280 175.762 175.510 -0.047 0.000 1.114 285 N CA 0.383 53.410 53.050 -0.038 0.000 0.859 285 N CB 0.152 38.625 38.487 -0.024 0.000 0.982 285 N HN 0.389 nan 8.380 nan 0.000 0.493 286 A N 0.261 123.048 122.820 -0.056 0.000 2.386 286 A HA 0.519 4.839 4.320 0.000 0.000 0.246 286 A C 1.197 178.724 177.584 -0.094 0.000 1.089 286 A CA 0.171 52.172 52.037 -0.061 0.000 0.790 286 A CB 0.040 19.006 19.000 -0.057 0.000 1.042 286 A HN 0.200 nan 8.150 nan 0.000 0.497 287 G N 0.345 109.102 108.800 -0.071 0.000 3.949 287 G HA2 0.461 4.421 3.960 0.000 0.000 0.295 287 G HA3 0.461 4.421 3.960 0.000 0.000 0.295 287 G C -0.083 174.759 174.900 -0.097 0.000 1.286 287 G CA -0.240 44.816 45.100 -0.073 0.000 1.171 287 G HN 0.538 nan 8.290 nan 0.000 0.586 288 I N 0.541 120.993 120.570 -0.197 0.000 2.428 288 I HA 0.331 4.501 4.170 0.000 0.000 0.289 288 I C -0.693 175.212 176.117 -0.354 0.000 1.019 288 I CA -0.656 60.550 61.300 -0.156 0.000 1.351 288 I CB 1.006 38.938 38.000 -0.113 0.000 1.412 288 I HN 0.092 nan 8.210 nan 0.000 0.513 289 Y N 6.203 126.451 120.300 -0.086 0.000 2.361 289 Y HA 0.611 5.161 4.550 0.000 0.000 0.337 289 Y C -0.272 175.525 175.900 -0.171 0.000 0.965 289 Y CA -0.711 57.321 58.100 -0.114 0.000 1.091 289 Y CB 1.428 39.816 38.460 -0.120 0.000 1.182 289 Y HN 0.291 nan 8.280 nan 0.000 0.450 290 I N 2.496 123.047 120.570 -0.032 0.000 2.474 290 I HA 0.431 4.601 4.170 0.000 0.000 0.294 290 I C -1.066 174.970 176.117 -0.134 0.000 1.005 290 I CA -0.673 60.565 61.300 -0.104 0.000 1.113 290 I CB 2.002 39.965 38.000 -0.062 0.000 1.289 290 I HN 0.492 nan 8.210 nan 0.000 0.436 291 D N 3.664 123.932 120.400 -0.221 0.000 2.542 291 D HA 0.225 4.865 4.640 0.000 0.000 0.252 291 D C -0.067 176.220 176.300 -0.021 0.000 1.222 291 D CA -0.480 53.434 54.000 -0.143 0.000 0.895 291 D CB 1.203 41.857 40.800 -0.243 0.000 1.207 291 D HN 0.562 nan 8.370 nan 0.000 0.558 292 D N 1.579 121.989 120.400 0.017 0.000 2.339 292 D HA -0.019 4.621 4.640 0.000 0.000 0.217 292 D C -0.020 176.320 176.300 0.066 0.000 1.050 292 D CA -0.076 53.953 54.000 0.048 0.000 0.856 292 D CB -0.617 40.202 40.800 0.033 0.000 0.922 292 D HN 0.272 nan 8.370 nan 0.000 0.518 293 T N 3.757 118.354 114.554 0.073 0.000 2.525 293 T HA -0.060 4.290 4.350 0.000 0.000 0.239 293 T C -1.421 173.315 174.700 0.061 0.000 1.047 293 T CA -0.583 61.557 62.100 0.067 0.000 1.215 293 T CB 0.520 69.436 68.868 0.080 0.000 1.025 293 T HN 0.053 nan 8.240 nan 0.000 0.487 294 P HA -0.213 nan 4.420 nan 0.000 0.224 294 P C 0.479 177.792 177.300 0.021 0.000 1.130 294 P CA 1.840 64.958 63.100 0.030 0.000 0.976 294 P CB -0.003 31.709 31.700 0.020 0.000 0.781 295 S N -2.052 113.654 115.700 0.009 0.000 2.461 295 S HA 0.526 4.996 4.470 0.000 0.000 0.245 295 S C -0.365 174.224 174.600 -0.019 0.000 1.039 295 S CA -0.992 57.199 58.200 -0.016 0.000 1.077 295 S CB -0.500 62.677 63.200 -0.038 0.000 1.171 295 S HN 0.222 nan 8.310 nan 0.000 0.433 296 I N 0.292 120.849 120.570 -0.022 0.000 2.707 296 I HA 0.732 4.903 4.170 0.000 0.000 0.309 296 I C 0.285 176.363 176.117 -0.066 0.000 1.001 296 I CA -1.538 59.744 61.300 -0.030 0.000 1.129 296 I CB 1.394 39.391 38.000 -0.005 0.000 1.308 296 I HN 0.689 nan 8.210 nan 0.000 0.466 297 R N 2.975 123.439 120.500 -0.059 0.000 2.707 297 R HA 0.311 4.651 4.340 0.000 0.000 0.270 297 R C 0.585 176.824 176.300 -0.101 0.000 1.083 297 R CA -0.795 55.262 56.100 -0.071 0.000 1.182 297 R CB 0.329 30.598 30.300 -0.051 0.000 1.084 297 R HN 0.558 nan 8.270 nan 0.000 0.528 298 V N 0.897 120.750 119.914 -0.102 0.000 2.261 298 V HA -0.298 3.822 4.120 0.000 0.000 0.246 298 V C 2.619 178.644 176.094 -0.114 0.000 1.047 298 V CA 2.472 64.697 62.300 -0.125 0.000 1.015 298 V CB -0.933 30.831 31.823 -0.098 0.000 0.642 298 V HN 1.037 nan 8.190 nan 0.000 0.446 299 S N -0.247 115.407 115.700 -0.077 0.000 2.440 299 S HA -0.275 4.195 4.470 0.000 0.000 0.240 299 S C 1.554 176.122 174.600 -0.054 0.000 1.014 299 S CA 1.859 60.023 58.200 -0.059 0.000 0.980 299 S CB -0.510 62.665 63.200 -0.042 0.000 0.775 299 S HN 0.644 nan 8.310 nan 0.000 0.499 300 D N 1.291 121.654 120.400 -0.061 0.000 2.216 300 D HA 0.206 4.846 4.640 0.000 0.000 0.208 300 D C 1.969 178.241 176.300 -0.047 0.000 0.960 300 D CA 0.669 54.648 54.000 -0.035 0.000 0.861 300 D CB -0.216 40.575 40.800 -0.015 0.000 0.985 300 D HN 0.429 nan 8.370 nan 0.000 0.493 301 I N 1.097 121.558 120.570 -0.180 0.000 2.163 301 I HA -0.273 3.897 4.170 0.000 0.000 0.243 301 I C 2.665 178.694 176.117 -0.147 0.000 1.085 301 I CA 1.057 62.120 61.300 -0.394 0.000 1.347 301 I CB -0.224 37.375 38.000 -0.669 0.000 1.044 301 I HN -0.059 nan 8.210 nan 0.000 0.408 302 R N 1.253 121.684 120.500 -0.115 0.000 2.092 302 R HA -0.153 4.187 4.340 0.000 0.000 0.231 302 R C 2.306 178.594 176.300 -0.019 0.000 1.119 302 R CA 1.523 57.587 56.100 -0.059 0.000 0.970 302 R CB -0.161 30.102 30.300 -0.061 0.000 0.864 302 R HN 0.353 nan 8.270 nan 0.000 0.440 303 A N 1.175 123.988 122.820 -0.013 0.000 1.897 303 A HA -0.089 4.231 4.320 0.000 0.000 0.215 303 A C 1.945 179.541 177.584 0.020 0.000 1.181 303 A CA 1.241 53.278 52.037 -0.000 0.000 0.620 303 A CB -0.205 18.793 19.000 -0.003 0.000 0.821 303 A HN 0.307 nan 8.150 nan 0.000 0.443 304 K N -0.804 119.632 120.400 0.060 0.000 2.097 304 K HA -0.097 4.223 4.320 0.000 0.000 0.205 304 K C 2.015 178.655 176.600 0.065 0.000 1.050 304 K CA 1.328 57.666 56.287 0.083 0.000 0.938 304 K CB -0.392 32.212 32.500 0.174 0.000 0.718 304 K HN 0.526 nan 8.250 nan 0.000 0.442 305 C N 0.577 119.945 119.300 0.112 0.000 2.435 305 C HA -0.016 4.444 4.460 0.000 0.000 0.279 305 C C 2.657 177.648 174.990 0.001 0.000 1.321 305 C CA 0.339 59.398 59.018 0.069 0.000 1.752 305 C CB -0.711 27.093 27.740 0.106 0.000 1.959 305 C HN 0.437 nan 8.230 nan 0.000 0.500 306 R N 0.658 121.157 120.500 -0.001 0.000 2.073 306 R HA -0.093 4.247 4.340 0.000 0.000 0.234 306 R C 2.479 178.762 176.300 -0.029 0.000 1.134 306 R CA 1.383 57.474 56.100 -0.016 0.000 0.952 306 R CB -0.206 30.086 30.300 -0.014 0.000 0.850 306 R HN 0.521 nan 8.270 nan 0.000 0.433 307 R N 0.121 120.603 120.500 -0.030 0.000 2.081 307 R HA -0.150 4.190 4.340 0.000 0.000 0.235 307 R C 2.339 178.597 176.300 -0.071 0.000 1.131 307 R CA 1.239 57.314 56.100 -0.042 0.000 0.960 307 R CB -0.426 29.853 30.300 -0.035 0.000 0.856 307 R HN 0.160 nan 8.270 nan 0.000 0.436 308 L N 1.697 122.857 121.223 -0.105 0.000 2.083 308 L HA -0.188 4.152 4.340 0.000 0.000 0.209 308 L C 2.266 179.054 176.870 -0.138 0.000 1.083 308 L CA 1.776 56.505 54.840 -0.184 0.000 0.752 308 L CB -0.328 41.557 42.059 -0.289 0.000 0.899 308 L HN 0.025 nan 8.230 nan 0.000 0.433 309 K N -0.759 119.588 120.400 -0.087 0.000 2.032 309 K HA -0.246 4.074 4.320 0.000 0.000 0.209 309 K C 2.002 178.575 176.600 -0.046 0.000 1.048 309 K CA 2.136 58.388 56.287 -0.057 0.000 0.927 309 K CB -0.107 32.371 32.500 -0.036 0.000 0.712 309 K HN 0.520 nan 8.250 nan 0.000 0.441 310 Q N -0.547 119.228 119.800 -0.042 0.000 2.378 310 Q HA -0.095 4.245 4.340 0.000 0.000 0.205 310 Q C 1.539 177.521 176.000 -0.029 0.000 0.954 310 Q CA 0.875 56.660 55.803 -0.030 0.000 0.901 310 Q CB 0.317 29.040 28.738 -0.025 0.000 0.981 310 Q HN 0.382 nan 8.270 nan 0.000 0.483 311 E N -1.013 119.162 120.200 -0.042 0.000 2.340 311 E HA 0.053 4.403 4.350 0.000 0.000 0.198 311 E C 0.931 177.516 176.600 -0.025 0.000 0.961 311 E CA 0.417 56.797 56.400 -0.033 0.000 0.905 311 E CB 0.552 30.227 29.700 -0.041 0.000 0.884 311 E HN 0.091 nan 8.360 nan 0.000 0.491 312 S N -1.829 113.847 115.700 -0.039 0.000 3.171 312 S HA 0.400 4.870 4.470 0.000 0.000 0.258 312 S C 0.703 175.302 174.600 -0.001 0.000 1.083 312 S CA 0.141 58.335 58.200 -0.010 0.000 0.801 312 S CB 1.668 64.863 63.200 -0.008 0.000 0.831 312 S HN 0.382 nan 8.310 nan 0.000 0.462 313 G N 0.450 109.235 108.800 -0.025 0.000 2.467 313 G HA2 0.283 4.243 3.960 0.000 0.000 0.103 313 G HA3 0.283 4.243 3.960 0.000 0.000 0.103 313 G C -0.936 173.953 174.900 -0.019 0.000 1.456 313 G CA -0.151 44.943 45.100 -0.009 0.000 1.071 313 G HN 0.601 nan 8.290 nan 0.000 0.307 314 L N 0.349 121.567 121.223 -0.009 0.000 0.699 314 L HA 0.047 4.387 4.340 0.000 0.000 0.365 314 L C 0.918 177.790 176.870 0.004 0.000 1.004 314 L CA 0.775 55.608 54.840 -0.011 0.000 1.219 314 L CB -0.604 41.433 42.059 -0.036 0.000 0.401 314 L HN 1.535 nan 8.230 nan 0.000 0.241 315 G N 4.119 112.926 108.800 0.012 0.000 2.535 315 G HA2 0.372 4.332 3.960 0.000 0.000 0.191 315 G HA3 0.372 4.332 3.960 0.000 0.000 0.191 315 G C 0.036 174.940 174.900 0.007 0.000 1.242 315 G CA 0.133 45.241 45.100 0.013 0.000 0.797 315 G HN 0.316 nan 8.290 nan 0.000 0.863 316 M N 1.030 120.632 119.600 0.003 0.000 2.433 316 M HA 0.509 4.989 4.480 0.000 0.000 0.290 316 M C -1.792 174.510 176.300 0.004 0.000 1.173 316 M CA -0.476 54.814 55.300 -0.017 0.000 0.905 316 M CB 3.177 35.752 32.600 -0.042 0.000 1.692 316 M HN -0.123 nan 8.290 nan 0.000 0.462 317 I N 2.961 123.534 120.570 0.004 0.000 2.362 317 I HA 0.410 4.580 4.170 0.000 0.000 0.289 317 I C -0.714 175.425 176.117 0.037 0.000 0.994 317 I CA -0.859 60.483 61.300 0.071 0.000 1.158 317 I CB 1.749 39.808 38.000 0.098 0.000 1.315 317 I HN 0.265 nan 8.210 nan 0.000 0.451 318 V N 7.732 127.693 119.914 0.078 0.000 2.284 318 V HA 0.383 4.503 4.120 0.000 0.000 0.274 318 V C 0.187 176.370 176.094 0.148 0.000 1.023 318 V CA -0.379 61.947 62.300 0.043 0.000 0.808 318 V CB 1.109 32.926 31.823 -0.010 0.000 1.035 318 V HN 0.516 nan 8.190 nan 0.000 0.445 319 I N 3.455 124.098 120.570 0.121 0.000 2.371 319 I HA 0.263 4.433 4.170 0.000 0.000 0.290 319 I C 0.286 176.481 176.117 0.129 0.000 1.028 319 I CA -0.057 61.329 61.300 0.145 0.000 1.345 319 I CB 1.142 39.142 38.000 0.001 0.000 1.407 319 I HN 0.492 nan 8.210 nan 0.000 0.501 320 D N 5.557 126.062 120.400 0.175 0.000 2.304 320 D HA 0.106 4.746 4.640 0.000 0.000 0.247 320 D C -0.492 175.926 176.300 0.198 0.000 1.089 320 D CA -0.108 54.009 54.000 0.195 0.000 0.910 320 D CB 0.571 41.495 40.800 0.206 0.000 1.199 320 D HN 0.308 nan 8.370 nan 0.000 0.426 321 Y N 1.543 121.870 120.300 0.045 0.000 3.121 321 Y HA -0.159 4.391 4.550 0.000 0.000 0.357 321 Y C 1.079 176.988 175.900 0.014 0.000 1.250 321 Y CA -0.354 57.764 58.100 0.030 0.000 1.594 321 Y CB 0.184 38.666 38.460 0.038 0.000 1.145 321 Y HN 0.472 nan 8.280 nan 0.000 0.604 322 L N 2.324 123.572 121.223 0.042 0.000 2.012 322 L HA -0.266 4.074 4.340 0.000 0.000 0.210 322 L C 2.166 178.975 176.870 -0.102 0.000 1.073 322 L CA 1.442 56.258 54.840 -0.039 0.000 0.748 322 L CB -0.296 41.767 42.059 0.008 0.000 0.891 322 L HN 0.833 nan 8.230 nan 0.000 0.431 323 Q N -0.561 119.196 119.800 -0.072 0.000 2.515 323 Q HA -0.163 4.177 4.340 0.000 0.000 0.215 323 Q C 1.628 177.489 176.000 -0.231 0.000 0.983 323 Q CA 0.933 56.687 55.803 -0.082 0.000 0.905 323 Q CB -0.266 28.508 28.738 0.060 0.000 0.961 323 Q HN 0.471 nan 8.270 nan 0.000 0.503 324 L N 0.056 121.014 121.223 -0.442 0.000 2.808 324 L HA 0.377 4.717 4.340 0.000 0.000 0.246 324 L C 0.189 176.903 176.870 -0.260 0.000 1.153 324 L CA -0.227 54.332 54.840 -0.469 0.000 0.956 324 L CB 0.301 41.794 42.059 -0.943 0.000 1.270 324 L HN 0.131 nan 8.230 nan 0.000 0.528 325 I N 0.752 121.206 120.570 -0.192 0.000 2.577 325 I HA 0.173 4.343 4.170 0.000 0.000 0.300 325 I C -0.268 175.789 176.117 -0.100 0.000 0.990 325 I CA -0.285 60.937 61.300 -0.131 0.000 1.283 325 I CB 1.395 39.320 38.000 -0.125 0.000 1.411 325 I HN 0.291 nan 8.210 nan 0.000 0.515 339 V N 1.968 121.874 119.914 -0.013 0.000 2.719 339 V HA -0.121 3.999 4.120 0.000 0.000 0.252 339 V C 2.110 178.196 176.094 -0.013 0.000 1.065 339 V CA 2.456 64.747 62.300 -0.016 0.000 1.086 339 V CB -0.021 31.797 31.823 -0.009 0.000 0.700 339 V HN 0.411 nan 8.190 nan 0.000 0.467 340 S N -0.737 114.958 115.700 -0.008 0.000 2.423 340 S HA -0.149 4.321 4.470 0.000 0.000 0.231 340 S C 1.731 176.324 174.600 -0.012 0.000 1.014 340 S CA 1.465 59.661 58.200 -0.006 0.000 0.965 340 S CB -0.464 62.735 63.200 -0.002 0.000 0.785 340 S HN 0.780 nan 8.310 nan 0.000 0.495 341 E N 0.504 120.695 120.200 -0.015 0.000 2.371 341 E HA 0.172 4.522 4.350 0.000 0.000 0.194 341 E C 1.624 178.208 176.600 -0.026 0.000 1.012 341 E CA 0.533 56.922 56.400 -0.018 0.000 0.860 341 E CB -0.109 29.580 29.700 -0.017 0.000 0.811 341 E HN 0.609 nan 8.360 nan 0.000 0.502 342 I N -0.202 120.350 120.570 -0.030 0.000 2.628 342 I HA -0.154 4.016 4.170 0.000 0.000 0.255 342 I C 2.495 178.587 176.117 -0.041 0.000 1.119 342 I CA 0.251 61.526 61.300 -0.042 0.000 1.448 342 I CB -0.035 37.936 38.000 -0.048 0.000 1.133 342 I HN 0.012 nan 8.210 nan 0.000 0.438 343 S N 1.110 116.792 115.700 -0.030 0.000 2.365 343 S HA -0.278 4.192 4.470 0.000 0.000 0.225 343 S C 2.275 176.859 174.600 -0.026 0.000 1.039 343 S CA 1.745 59.929 58.200 -0.026 0.000 1.033 343 S CB -0.282 62.908 63.200 -0.016 0.000 0.887 343 S HN 0.271 nan 8.310 nan 0.000 0.447 344 R N 0.089 120.576 120.500 -0.022 0.000 2.103 344 R HA -0.082 4.258 4.340 0.000 0.000 0.242 344 R C 2.648 178.932 176.300 -0.026 0.000 1.142 344 R CA 1.786 57.874 56.100 -0.021 0.000 0.960 344 R CB -0.675 29.614 30.300 -0.017 0.000 0.858 344 R HN 0.460 nan 8.270 nan 0.000 0.439 345 S N -0.053 115.627 115.700 -0.034 0.000 2.387 345 S HA 0.034 4.504 4.470 0.000 0.000 0.226 345 S C 1.836 176.407 174.600 -0.048 0.000 1.026 345 S CA 0.595 58.770 58.200 -0.041 0.000 0.972 345 S CB -0.007 63.164 63.200 -0.048 0.000 0.814 345 S HN 0.286 nan 8.310 nan 0.000 0.477 346 L N 0.948 122.140 121.223 -0.052 0.000 2.141 346 L HA -0.041 4.299 4.340 0.000 0.000 0.209 346 L C 2.543 179.387 176.870 -0.043 0.000 1.094 346 L CA 1.201 56.007 54.840 -0.058 0.000 0.763 346 L CB -0.492 41.529 42.059 -0.063 0.000 0.908 346 L HN 0.256 nan 8.230 nan 0.000 0.437 347 K N 1.221 121.601 120.400 -0.033 0.000 2.026 347 K HA -0.123 4.197 4.320 0.000 0.000 0.208 347 K C 2.008 178.595 176.600 -0.022 0.000 1.048 347 K CA 1.755 58.027 56.287 -0.024 0.000 0.929 347 K CB -0.384 32.106 32.500 -0.018 0.000 0.713 347 K HN 0.173 nan 8.250 nan 0.000 0.439 348 A N 0.495 123.300 122.820 -0.024 0.000 2.015 348 A HA -0.056 4.265 4.320 0.000 0.000 0.219 348 A C 2.078 179.647 177.584 -0.025 0.000 1.163 348 A CA 1.453 53.477 52.037 -0.022 0.000 0.646 348 A CB -0.617 18.369 19.000 -0.023 0.000 0.806 348 A HN 0.397 nan 8.150 nan 0.000 0.448 349 L N -0.395 120.809 121.223 -0.033 0.000 2.072 349 L HA 0.044 4.384 4.340 0.000 0.000 0.205 349 L C 2.569 179.423 176.870 -0.026 0.000 1.079 349 L CA 2.119 56.939 54.840 -0.035 0.000 0.752 349 L CB -0.786 41.243 42.059 -0.051 0.000 0.906 349 L HN 0.285 nan 8.230 nan 0.000 0.436 350 A N -0.348 122.457 122.820 -0.025 0.000 1.902 350 A HA -0.240 4.080 4.320 0.000 0.000 0.217 350 A C 2.471 180.048 177.584 -0.012 0.000 1.181 350 A CA 1.845 53.870 52.037 -0.019 0.000 0.623 350 A CB -0.589 18.399 19.000 -0.020 0.000 0.818 350 A HN 0.463 nan 8.150 nan 0.000 0.443 351 R N -0.345 120.148 120.500 -0.012 0.000 2.075 351 R HA -0.097 4.243 4.340 0.000 0.000 0.232 351 R C 2.229 178.524 176.300 -0.009 0.000 1.126 351 R CA 1.687 57.782 56.100 -0.008 0.000 0.963 351 R CB -0.309 29.986 30.300 -0.009 0.000 0.858 351 R HN 0.716 nan 8.270 nan 0.000 0.435 352 E N -0.507 119.686 120.200 -0.012 0.000 2.150 352 E HA -0.156 4.194 4.350 0.000 0.000 0.193 352 E C 0.727 177.321 176.600 -0.011 0.000 0.985 352 E CA 0.900 57.293 56.400 -0.012 0.000 0.814 352 E CB 0.207 29.898 29.700 -0.016 0.000 0.752 352 E HN 0.176 nan 8.360 nan 0.000 0.466 353 L N 1.041 122.257 121.223 -0.010 0.000 2.607 353 L HA 0.128 4.468 4.340 0.000 0.000 0.228 353 L C -0.087 176.780 176.870 -0.005 0.000 1.123 353 L CA 0.540 55.375 54.840 -0.009 0.000 0.890 353 L CB -0.014 42.039 42.059 -0.009 0.000 1.103 353 L HN 0.027 nan 8.230 nan 0.000 0.468 354 E N -0.213 119.985 120.200 -0.003 0.000 2.222 354 E HA -0.189 4.162 4.350 0.000 0.000 0.189 354 E C -0.752 175.851 176.600 0.004 0.000 1.415 354 E CA 0.099 56.500 56.400 0.001 0.000 0.689 354 E CB -0.989 28.712 29.700 0.002 0.000 1.107 354 E HN 0.079 nan 8.360 nan 0.000 0.350 355 V N 1.163 121.079 119.914 0.003 0.000 2.924 355 V HA 0.300 4.420 4.120 0.000 0.000 0.300 355 V C -2.274 173.818 176.094 -0.004 0.000 1.227 355 V CA -1.531 60.771 62.300 0.003 0.000 0.954 355 V CB 2.567 34.390 31.823 -0.000 0.000 1.055 355 V HN 0.091 nan 8.190 nan 0.000 0.429 356 P HA 0.178 nan 4.420 nan 0.000 0.276 356 P C -0.554 176.694 177.300 -0.086 0.000 1.264 356 P CA 0.189 63.267 63.100 -0.037 0.000 0.769 356 P CB 1.024 32.709 31.700 -0.024 0.000 0.840 357 V N 6.490 126.356 119.914 -0.079 0.000 2.432 357 V HA 0.215 4.335 4.120 0.000 0.000 0.275 357 V C 0.888 176.905 176.094 -0.129 0.000 1.043 357 V CA -0.289 61.962 62.300 -0.081 0.000 0.925 357 V CB 0.821 32.611 31.823 -0.055 0.000 0.985 357 V HN 0.403 nan 8.190 nan 0.000 0.466 358 I N 5.261 125.746 120.570 -0.143 0.000 2.442 358 I HA 0.434 4.605 4.170 0.000 0.000 0.279 358 I C 0.703 176.774 176.117 -0.076 0.000 1.081 358 I CA -0.250 60.949 61.300 -0.169 0.000 1.197 358 I CB 1.011 38.840 38.000 -0.285 0.000 1.394 358 I HN 0.657 nan 8.210 nan 0.000 0.488 359 A N 7.352 130.140 122.820 -0.054 0.000 2.440 359 A HA 0.603 4.924 4.320 0.000 0.000 0.251 359 A C -0.285 177.306 177.584 0.011 0.000 1.089 359 A CA -0.097 51.931 52.037 -0.015 0.000 0.779 359 A CB 0.358 19.345 19.000 -0.022 0.000 1.022 359 A HN 0.680 nan 8.150 nan 0.000 0.492 360 L N 1.948 123.207 121.223 0.060 0.000 2.322 360 L HA 0.611 4.952 4.340 0.000 0.000 0.279 360 L C 0.577 177.527 176.870 0.133 0.000 1.036 360 L CA -0.224 54.673 54.840 0.095 0.000 0.807 360 L CB 1.870 44.005 42.059 0.126 0.000 1.226 360 L HN 0.723 nan 8.230 nan 0.000 0.433 361 S N 1.696 117.464 115.700 0.113 0.000 2.569 361 S HA 0.460 4.930 4.470 0.000 0.000 0.280 361 S C -1.221 173.457 174.600 0.130 0.000 1.111 361 S CA -0.598 57.685 58.200 0.138 0.000 0.887 361 S CB 1.979 65.231 63.200 0.087 0.000 1.095 361 S HN 0.628 nan 8.310 nan 0.000 0.476 362 Q N 2.792 122.691 119.800 0.166 0.000 2.333 362 Q HA 0.630 4.970 4.340 0.000 0.000 0.267 362 Q C -1.072 174.997 176.000 0.115 0.000 1.012 362 Q CA -0.700 55.170 55.803 0.112 0.000 0.824 362 Q CB 1.192 29.997 28.738 0.111 0.000 1.290 362 Q HN 0.716 nan 8.270 nan 0.000 0.449 375 P HA 0.506 nan 4.420 nan 0.000 0.328 375 P C -0.803 176.108 177.300 -0.649 0.000 1.288 375 P CA -0.581 62.215 63.100 -0.505 0.000 0.786 375 P CB 1.189 32.516 31.700 -0.621 0.000 1.388 376 M N -3.318 115.846 119.600 -0.727 0.000 3.782 376 M HA 0.352 4.832 4.480 0.000 0.000 0.341 376 M C 0.042 176.155 176.300 -0.311 0.000 1.544 376 M CA -0.776 54.191 55.300 -0.555 0.000 0.892 376 M CB 0.340 32.784 32.600 -0.260 0.000 2.101 376 M HN -0.132 nan 8.290 nan 0.000 0.498 377 M N 1.351 120.935 119.600 -0.027 0.000 2.059 377 M HA -0.045 4.435 4.480 0.000 0.000 0.259 377 M C 2.146 178.499 176.300 0.089 0.000 1.072 377 M CA 2.839 58.220 55.300 0.135 0.000 1.117 377 M CB -1.486 31.180 32.600 0.111 0.000 1.320 377 M HN 0.953 nan 8.290 nan 0.000 0.408 378 S N -0.458 115.257 115.700 0.024 0.000 2.595 378 S HA -0.092 4.378 4.470 0.000 0.000 0.235 378 S C 1.217 175.827 174.600 0.016 0.000 0.974 378 S CA 0.703 58.915 58.200 0.020 0.000 0.942 378 S CB -0.566 62.635 63.200 0.002 0.000 0.766 378 S HN 0.369 nan 8.310 nan 0.000 0.536 379 D N 2.341 122.746 120.400 0.008 0.000 2.123 379 D HA -0.002 4.638 4.640 0.000 0.000 0.200 379 D C 1.931 178.267 176.300 0.060 0.000 0.976 379 D CA 1.571 55.577 54.000 0.011 0.000 0.831 379 D CB -0.113 40.663 40.800 -0.041 0.000 0.974 379 D HN 0.700 nan 8.370 nan 0.000 0.469 380 I N -1.059 119.578 120.570 0.111 0.000 2.867 380 I HA 0.117 4.287 4.170 0.000 0.000 0.265 380 I C 2.369 178.532 176.117 0.078 0.000 1.162 380 I CA 0.029 61.396 61.300 0.112 0.000 1.471 380 I CB -0.141 37.950 38.000 0.152 0.000 1.123 380 I HN -0.247 nan 8.210 nan 0.000 0.440 381 R N 2.178 122.722 120.500 0.075 0.000 2.103 381 R HA -0.176 4.164 4.340 0.000 0.000 0.242 381 R C 1.962 178.284 176.300 0.037 0.000 1.142 381 R CA 1.928 58.059 56.100 0.052 0.000 0.960 381 R CB -0.699 29.630 30.300 0.049 0.000 0.858 381 R HN 0.509 nan 8.270 nan 0.000 0.439 382 E N -0.058 120.162 120.200 0.033 0.000 2.333 382 E HA -0.079 4.271 4.350 0.000 0.000 0.198 382 E C -0.216 176.399 176.600 0.025 0.000 1.007 382 E CA 1.088 57.503 56.400 0.025 0.000 0.845 382 E CB -0.021 29.691 29.700 0.020 0.000 0.766 382 E HN 0.380 nan 8.360 nan 0.000 0.507 383 S N 0.143 115.862 115.700 0.032 0.000 2.475 383 S HA 0.525 4.995 4.470 0.000 0.000 0.249 383 S C 0.145 174.762 174.600 0.028 0.000 1.298 383 S CA -0.344 57.874 58.200 0.030 0.000 1.125 383 S CB 1.027 64.250 63.200 0.037 0.000 1.054 383 S HN 0.229 nan 8.310 nan 0.000 0.484 384 G N 2.073 110.885 108.800 0.020 0.000 3.341 384 G HA2 -0.105 3.855 3.960 0.000 0.000 0.374 384 G HA3 -0.105 3.855 3.960 0.000 0.000 0.374 384 G C 0.407 175.316 174.900 0.015 0.000 0.885 384 G CA 0.238 45.346 45.100 0.014 0.000 0.740 384 G HN 1.686 nan 8.290 nan 0.000 0.390 385 S N 2.681 118.388 115.700 0.013 0.000 2.729 385 S HA -0.449 4.022 4.470 0.000 0.000 0.537 385 S C 2.321 176.930 174.600 0.015 0.000 0.916 385 S CA 3.272 61.480 58.200 0.012 0.000 3.387 385 S CB -0.796 62.408 63.200 0.006 0.000 2.354 385 S HN 2.223 nan 8.310 nan 0.000 0.564 386 I N -0.863 119.712 120.570 0.008 0.000 4.497 386 I HA -0.435 3.735 4.170 0.000 0.000 0.059 386 I C 1.757 177.877 176.117 0.005 0.000 0.607 386 I CA 2.202 63.505 61.300 0.005 0.000 0.958 386 I CB -1.579 36.427 38.000 0.010 0.000 0.864 386 I HN 0.751 nan 8.210 nan 0.000 0.166 387 E N 0.631 120.840 120.200 0.015 0.000 2.136 387 E HA -0.325 4.025 4.350 0.000 0.000 0.202 387 E C 1.667 178.273 176.600 0.011 0.000 1.019 387 E CA 2.500 58.911 56.400 0.018 0.000 0.819 387 E CB -0.020 29.697 29.700 0.028 0.000 0.739 387 E HN 0.689 nan 8.360 nan 0.000 0.458 388 Q N -0.531 119.274 119.800 0.009 0.000 2.319 388 Q HA 0.048 4.388 4.340 0.000 0.000 0.202 388 Q C 0.611 176.612 176.000 0.002 0.000 0.896 388 Q CA 0.587 56.394 55.803 0.007 0.000 0.942 388 Q CB 0.714 29.456 28.738 0.007 0.000 1.083 388 Q HN 0.245 nan 8.270 nan 0.000 0.510 389 D N 0.589 120.988 120.400 -0.001 0.000 2.431 389 D HA 0.120 4.760 4.640 0.000 0.000 0.235 389 D C 0.221 176.517 176.300 -0.007 0.000 0.980 389 D CA 0.395 54.392 54.000 -0.005 0.000 0.912 389 D CB -0.030 40.764 40.800 -0.009 0.000 1.056 389 D HN 0.159 nan 8.370 nan 0.000 0.494 390 A N 1.812 124.626 122.820 -0.010 0.000 2.451 390 A HA 0.175 4.495 4.320 0.000 0.000 0.266 390 A C 0.413 177.993 177.584 -0.005 0.000 1.119 390 A CA -0.245 51.784 52.037 -0.013 0.000 0.786 390 A CB 0.224 19.209 19.000 -0.025 0.000 1.061 390 A HN 0.029 nan 8.150 nan 0.000 0.503 391 D N 1.560 121.961 120.400 0.002 0.000 2.349 391 D HA 0.102 4.742 4.640 0.000 0.000 0.215 391 D C 0.319 176.630 176.300 0.018 0.000 1.016 391 D CA 0.391 54.398 54.000 0.012 0.000 0.870 391 D CB 0.086 40.896 40.800 0.017 0.000 0.917 391 D HN 0.476 nan 8.370 nan 0.000 0.524 392 I N -0.049 120.531 120.570 0.016 0.000 2.586 392 I HA 0.288 4.458 4.170 0.000 0.000 0.288 392 I C -1.989 174.116 176.117 -0.020 0.000 1.147 392 I CA -0.941 60.373 61.300 0.023 0.000 1.047 392 I CB 2.000 40.050 38.000 0.083 0.000 1.244 392 I HN -0.357 nan 8.210 nan 0.000 0.429 393 V N 7.570 127.442 119.914 -0.072 0.000 2.304 393 V HA 0.664 4.784 4.120 0.000 0.000 0.278 393 V C 0.516 176.415 176.094 -0.325 0.000 1.018 393 V CA -0.394 61.780 62.300 -0.211 0.000 0.814 393 V CB 1.077 32.759 31.823 -0.236 0.000 1.021 393 V HN 0.802 nan 8.190 nan 0.000 0.440 394 A N 5.111 127.758 122.820 -0.288 0.000 2.310 394 A HA 0.896 5.216 4.320 0.000 0.000 0.299 394 A C -0.919 176.399 177.584 -0.443 0.000 1.147 394 A CA -0.246 51.654 52.037 -0.228 0.000 0.818 394 A CB 0.531 19.537 19.000 0.010 0.000 1.096 394 A HN 0.650 nan 8.150 nan 0.000 0.495 395 F N 1.066 121.001 119.950 -0.025 0.000 2.507 395 F HA 0.478 5.005 4.527 0.000 0.000 0.325 395 F C -0.070 175.673 175.800 -0.094 0.000 1.116 395 F CA -0.500 57.475 58.000 -0.042 0.000 0.930 395 F CB 1.951 40.927 39.000 -0.040 0.000 1.146 395 F HN 0.326 nan 8.300 nan 0.000 0.447 396 L N 4.031 125.315 121.223 0.102 0.000 2.295 396 L HA 0.452 4.792 4.340 0.000 0.000 0.285 396 L C -1.006 175.934 176.870 0.118 0.000 1.035 396 L CA -0.778 54.047 54.840 -0.026 0.000 0.806 396 L CB 1.470 43.436 42.059 -0.154 0.000 1.214 396 L HN 0.602 nan 8.230 nan 0.000 0.426 414 I N 4.102 124.639 120.570 -0.055 0.000 2.337 414 I HA 0.337 4.507 4.170 0.000 0.000 0.285 414 I C -0.262 175.847 176.117 -0.013 0.000 1.041 414 I CA -0.509 60.724 61.300 -0.111 0.000 1.199 414 I CB 0.596 38.474 38.000 -0.203 0.000 1.370 414 I HN 0.341 nan 8.210 nan 0.000 0.470 415 I N 7.357 127.958 120.570 0.052 0.000 2.308 415 I HA 0.231 4.401 4.170 0.000 0.000 0.293 415 I C 0.191 176.371 176.117 0.105 0.000 1.078 415 I CA -0.271 61.087 61.300 0.097 0.000 1.292 415 I CB 0.602 38.686 38.000 0.141 0.000 1.423 415 I HN 0.423 nan 8.210 nan 0.000 0.493 416 I N 6.526 127.131 120.570 0.059 0.000 2.260 416 I HA 0.155 4.325 4.170 0.000 0.000 0.297 416 I C 1.349 177.502 176.117 0.059 0.000 1.143 416 I CA 0.108 61.432 61.300 0.040 0.000 1.271 416 I CB 0.933 38.952 38.000 0.032 0.000 1.461 416 I HN 0.703 nan 8.210 nan 0.000 0.530 417 A N 5.887 128.762 122.820 0.092 0.000 2.021 417 A HA 0.061 4.381 4.320 0.000 0.000 0.216 417 A C 1.063 178.692 177.584 0.075 0.000 1.163 417 A CA 0.782 52.899 52.037 0.133 0.000 0.676 417 A CB 0.190 19.383 19.000 0.322 0.000 0.818 417 A HN 0.615 nan 8.150 nan 0.000 0.453 418 K N 0.251 120.672 120.400 0.034 0.000 2.535 418 K HA 0.419 4.739 4.320 0.000 0.000 0.250 418 K C -1.568 175.041 176.600 0.014 0.000 0.948 418 K CA -0.489 55.812 56.287 0.023 0.000 0.796 418 K CB 1.217 33.729 32.500 0.020 0.000 1.216 418 K HN 0.494 nan 8.250 nan 0.000 0.432 419 Q N 3.377 123.189 119.800 0.020 0.000 2.391 419 Q HA 0.401 4.741 4.340 0.000 0.000 0.279 419 Q C -0.786 175.225 176.000 0.020 0.000 1.028 419 Q CA -0.848 54.968 55.803 0.023 0.000 0.836 419 Q CB 1.903 30.658 28.738 0.028 0.000 1.414 419 Q HN 0.620 nan 8.270 nan 0.000 0.397 420 R N 0.644 121.157 120.500 0.021 0.000 2.308 420 R HA 0.165 4.505 4.340 0.000 0.000 0.202 420 R C 0.975 177.284 176.300 0.015 0.000 0.898 420 R CA 0.210 56.320 56.100 0.017 0.000 1.046 420 R CB 0.313 30.623 30.300 0.016 0.000 1.026 420 R HN 0.638 nan 8.270 nan 0.000 0.512 421 N N 0.062 118.772 118.700 0.017 0.000 2.120 421 N HA -0.083 4.657 4.740 0.000 0.000 0.188 421 N C 1.193 176.707 175.510 0.007 0.000 1.024 421 N CA 1.809 54.866 53.050 0.011 0.000 0.852 421 N CB 0.218 38.710 38.487 0.009 0.000 1.003 421 N HN 0.377 nan 8.380 nan 0.000 0.424 422 G N -0.472 108.333 108.800 0.008 0.000 2.445 422 G HA2 0.053 4.013 3.960 0.000 0.000 0.104 422 G HA3 0.053 4.013 3.960 0.000 0.000 0.104 422 G C -2.569 172.336 174.900 0.008 0.000 0.958 422 G CA -0.503 44.601 45.100 0.006 0.000 1.324 422 G HN 0.100 nan 8.290 nan 0.000 0.549 423 P HA 0.513 nan 4.420 nan 0.000 0.270 423 P C -0.785 176.521 177.300 0.011 0.000 1.223 423 P CA -0.085 63.019 63.100 0.007 0.000 0.785 423 P CB 1.483 33.186 31.700 0.004 0.000 0.923 424 V N 1.347 121.269 119.914 0.013 0.000 2.569 424 V HA 0.809 4.929 4.120 0.000 0.000 0.301 424 V C 0.460 176.564 176.094 0.017 0.000 1.044 424 V CA 0.170 62.481 62.300 0.019 0.000 0.874 424 V CB 1.339 33.175 31.823 0.021 0.000 1.002 424 V HN 0.956 nan 8.190 nan 0.000 0.424 425 G N 3.124 111.936 108.800 0.020 0.000 2.348 425 G HA2 0.476 4.436 3.960 0.000 0.000 0.296 425 G HA3 0.476 4.436 3.960 0.000 0.000 0.296 425 G C -1.064 173.847 174.900 0.018 0.000 1.258 425 G CA -0.329 44.781 45.100 0.016 0.000 0.868 425 G HN 0.428 nan 8.290 nan 0.000 0.488 426 T N 0.767 115.329 114.554 0.013 0.000 2.772 426 T HA 0.575 4.925 4.350 0.000 0.000 0.288 426 T C -0.241 174.467 174.700 0.014 0.000 0.994 426 T CA -0.212 61.897 62.100 0.015 0.000 0.951 426 T CB 1.323 70.199 68.868 0.013 0.000 0.933 426 T HN 0.559 nan 8.240 nan 0.000 0.447 427 V N 4.157 124.077 119.914 0.010 0.000 2.472 427 V HA 0.442 4.562 4.120 0.000 0.000 0.290 427 V C 0.098 176.191 176.094 -0.002 0.000 1.037 427 V CA -0.842 61.462 62.300 0.007 0.000 0.908 427 V CB 1.645 33.473 31.823 0.009 0.000 0.985 427 V HN 0.771 nan 8.190 nan 0.000 0.454 428 Q N 3.368 123.172 119.800 0.006 0.000 2.293 428 Q HA 0.691 5.031 4.340 0.000 0.000 0.261 428 Q C -1.414 174.587 176.000 0.003 0.000 0.960 428 Q CA -0.374 55.435 55.803 0.009 0.000 0.882 428 Q CB 1.739 30.491 28.738 0.023 0.000 1.275 428 Q HN 0.666 nan 8.270 nan 0.000 0.445 429 L N 1.888 123.115 121.223 0.006 0.000 2.354 429 L HA 0.790 5.130 4.340 0.000 0.000 0.269 429 L C -0.473 176.462 176.870 0.109 0.000 1.005 429 L CA -1.038 53.817 54.840 0.026 0.000 0.819 429 L CB 1.952 43.994 42.059 -0.029 0.000 1.311 429 L HN 0.692 nan 8.230 nan 0.000 0.423 430 A N 2.041 124.918 122.820 0.095 0.000 2.287 430 A HA 0.646 4.966 4.320 0.000 0.000 0.273 430 A C -1.225 176.453 177.584 0.157 0.000 1.091 430 A CA -0.093 52.005 52.037 0.101 0.000 0.817 430 A CB 0.767 19.795 19.000 0.047 0.000 1.069 430 A HN 0.512 nan 8.150 nan 0.000 0.492 431 F N 1.343 121.215 119.950 -0.130 0.000 2.617 431 F HA 0.456 4.983 4.527 0.000 0.000 0.325 431 F C 0.233 175.909 175.800 -0.207 0.000 1.179 431 F CA -0.851 56.950 58.000 -0.332 0.000 0.965 431 F CB 1.107 39.779 39.000 -0.546 0.000 1.232 431 F HN 0.472 nan 8.300 nan 0.000 0.461 432 I N 4.221 124.362 120.570 -0.716 0.000 2.277 432 I HA -0.136 4.034 4.170 0.000 0.000 0.243 432 I C 1.675 177.457 176.117 -0.558 0.000 1.094 432 I CA 1.040 62.070 61.300 -0.450 0.000 1.393 432 I CB -0.161 37.728 38.000 -0.184 0.000 1.078 432 I HN 0.845 nan 8.210 nan 0.000 0.417 433 K N -0.801 119.021 120.400 -0.962 0.000 9.683 433 K HA -0.311 4.009 4.320 0.000 0.000 0.509 433 K C 1.454 177.860 176.600 -0.323 0.000 0.383 433 K CA 1.674 57.614 56.287 -0.579 0.000 1.953 433 K CB -1.107 31.237 32.500 -0.261 0.000 0.708 433 K HN 0.089 nan 8.250 nan 0.000 1.082 434 E N 0.008 120.039 120.200 -0.282 0.000 2.097 434 E HA -0.179 4.172 4.350 0.000 0.000 0.196 434 E C 1.593 177.912 176.600 -0.469 0.000 1.000 434 E CA 2.294 58.478 56.400 -0.359 0.000 0.804 434 E CB -0.162 29.281 29.700 -0.428 0.000 0.740 434 E HN 0.512 nan 8.360 nan 0.000 0.454 435 Y N -0.946 119.248 120.300 -0.177 0.000 2.478 435 Y HA 0.144 4.694 4.550 0.000 0.000 0.261 435 Y C 0.694 176.503 175.900 -0.152 0.000 1.127 435 Y CA 0.138 58.154 58.100 -0.139 0.000 1.288 435 Y CB 0.386 38.775 38.460 -0.119 0.000 1.084 435 Y HN -0.054 nan 8.280 nan 0.000 0.530 436 N N 0.766 119.374 118.700 -0.154 0.000 2.776 436 N HA -0.218 4.522 4.740 0.000 0.000 0.249 436 N C -0.884 174.563 175.510 -0.104 0.000 1.111 436 N CA 0.496 53.447 53.050 -0.165 0.000 0.711 436 N CB -0.965 37.522 38.487 -0.001 0.000 1.065 436 N HN 0.267 nan 8.380 nan 0.000 0.556 437 K N -0.138 120.127 120.400 -0.225 0.000 2.156 437 K HA 0.385 4.705 4.320 0.000 0.000 0.254 437 K C -0.393 176.144 176.600 -0.105 0.000 0.950 437 K CA -0.535 55.735 56.287 -0.029 0.000 0.849 437 K CB 0.748 33.262 32.500 0.023 0.000 1.100 437 K HN 0.011 nan 8.250 nan 0.000 0.434 438 F N 1.653 121.756 119.950 0.255 0.000 2.408 438 F HA 0.295 4.822 4.527 0.000 0.000 0.344 438 F C 0.126 175.913 175.800 -0.022 0.000 1.112 438 F CA -0.570 57.536 58.000 0.176 0.000 1.096 438 F CB 1.355 40.455 39.000 0.166 0.000 1.129 438 F HN 0.050 nan 8.300 nan 0.000 0.486 439 V N 2.936 122.895 119.914 0.075 0.000 3.074 439 V HA 0.361 4.481 4.120 0.000 0.000 0.314 439 V C -0.100 175.982 176.094 -0.020 0.000 1.117 439 V CA -1.377 60.956 62.300 0.053 0.000 1.014 439 V CB 1.914 33.774 31.823 0.061 0.000 1.057 439 V HN 0.632 nan 8.190 nan 0.000 0.438 440 N N 0.573 119.316 118.700 0.073 0.000 2.263 440 N HA 0.476 5.216 4.740 0.000 0.000 0.239 440 N C -0.718 174.820 175.510 0.047 0.000 1.317 440 N CA -0.095 53.000 53.050 0.076 0.000 0.909 440 N CB 0.860 39.431 38.487 0.140 0.000 1.171 440 N HN 0.409 nan 8.380 nan 0.000 0.492 441 L N 0.000 121.250 121.223 0.046 0.000 2.949 441 L HA 0.000 4.340 4.340 0.000 0.000 0.249 441 L CA 0.000 54.860 54.840 0.034 0.000 0.813 441 L CB 0.000 42.076 42.059 0.028 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502