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_A 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 0.000 176.577 176.600 -0.038 0.000 1.382 15 E CA 0.000 56.426 56.400 0.043 0.000 0.976 15 E CB 0.000 29.720 29.700 0.033 0.000 0.812 16 A N 1.689 124.484 122.820 -0.041 0.000 1.930 16 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 16 A C 1.897 179.414 177.584 -0.111 0.000 1.175 16 A CA 1.614 53.580 52.037 -0.120 0.000 0.627 16 A CB -0.376 18.606 19.000 -0.029 0.000 0.815 16 A HN 0.197 nan 8.150 nan 0.000 0.443 17 E N -0.377 119.837 120.200 0.023 0.000 2.051 17 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 17 E C 2.296 179.010 176.600 0.190 0.000 0.991 17 E CA 1.459 57.971 56.400 0.186 0.000 0.799 17 E CB -0.199 29.786 29.700 0.474 0.000 0.748 17 E HN 0.725 nan 8.360 nan 0.000 0.449 18 Q N 0.106 119.981 119.800 0.125 0.000 2.135 18 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 18 Q C 2.211 178.156 176.000 -0.092 0.000 0.981 18 Q CA 1.274 57.072 55.803 -0.009 0.000 0.856 18 Q CB -0.186 28.573 28.738 0.036 0.000 0.902 18 Q HN 0.233 nan 8.270 nan 0.000 0.425 19 A N 0.348 123.054 122.820 -0.189 0.000 1.892 19 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 19 A C 2.322 179.812 177.584 -0.156 0.000 1.188 19 A CA 1.710 53.543 52.037 -0.340 0.000 0.631 19 A CB -0.882 17.503 19.000 -1.025 0.000 0.822 19 A HN 0.220 nan 8.150 nan 0.000 0.447 20 V N 0.285 120.168 119.914 -0.050 0.000 2.223 20 V HA -0.296 3.824 4.120 -0.000 0.000 0.244 20 V C 2.585 178.723 176.094 0.074 0.000 1.045 20 V CA 2.100 64.467 62.300 0.113 0.000 1.000 20 V CB -1.062 30.908 31.823 0.245 0.000 0.635 20 V HN 0.592 nan 8.190 nan 0.000 0.445 21 L N 0.508 121.761 121.223 0.050 0.000 1.978 21 L HA -0.199 4.141 4.340 -0.000 0.000 0.218 21 L C 2.760 179.480 176.870 -0.250 0.000 1.075 21 L CA 2.160 56.907 54.840 -0.155 0.000 0.767 21 L CB -1.631 40.294 42.059 -0.222 0.000 0.890 21 L HN 0.512 nan 8.230 nan 0.000 0.434 22 G N -0.373 108.362 108.800 -0.108 0.000 2.556 22 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 22 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 22 G C 1.703 176.612 174.900 0.014 0.000 1.156 22 G CA 1.187 46.288 45.100 0.001 0.000 0.766 22 G HN 0.536 nan 8.290 nan 0.000 0.583 23 A N -0.313 122.505 122.820 -0.003 0.000 1.969 23 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 23 A C 2.603 180.189 177.584 0.003 0.000 1.169 23 A CA 1.690 53.747 52.037 0.034 0.000 0.635 23 A CB -0.432 18.617 19.000 0.082 0.000 0.810 23 A HN 0.282 nan 8.150 nan 0.000 0.445 24 V N -0.997 118.865 119.914 -0.088 0.000 2.261 24 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 24 V C 2.172 178.208 176.094 -0.098 0.000 1.047 24 V CA 1.961 64.169 62.300 -0.153 0.000 1.015 24 V CB -0.980 30.661 31.823 -0.305 0.000 0.642 24 V HN 0.576 nan 8.190 nan 0.000 0.446 25 F N -0.619 119.313 119.950 -0.030 0.000 2.449 25 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 25 F C 1.946 177.731 175.800 -0.024 0.000 1.092 25 F CA 0.966 58.944 58.000 -0.036 0.000 1.446 25 F CB -0.716 38.254 39.000 -0.050 0.000 1.084 25 F HN 0.104 nan 8.300 nan 0.000 0.567 26 L N -1.232 120.073 121.223 0.137 0.000 2.262 26 L HA -0.051 4.289 4.340 -0.000 0.000 0.197 26 L C 2.120 179.023 176.870 0.055 0.000 1.073 26 L CA 0.924 55.815 54.840 0.085 0.000 0.800 26 L CB -0.248 41.852 42.059 0.069 0.000 0.987 26 L HN -0.107 nan 8.230 nan 0.000 0.470 27 D N -0.318 120.107 120.400 0.041 0.000 2.162 27 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 27 D C -1.079 175.234 176.300 0.021 0.000 0.964 27 D CA 0.642 54.659 54.000 0.029 0.000 0.847 27 D CB -0.473 40.343 40.800 0.028 0.000 0.988 27 D HN 0.204 nan 8.370 nan 0.000 0.480 28 P HA 0.352 nan 4.420 nan 0.000 0.254 28 P C -0.031 177.264 177.300 -0.008 0.000 1.620 28 P CA 0.123 63.224 63.100 0.002 0.000 1.050 28 P CB 0.450 32.152 31.700 0.003 0.000 1.539 29 A N 0.386 123.208 122.820 0.004 0.000 2.255 29 A HA 0.245 4.565 4.320 -0.000 0.000 0.206 29 A C 2.014 179.607 177.584 0.016 0.000 1.193 29 A CA 0.948 52.989 52.037 0.006 0.000 0.794 29 A CB -0.729 18.277 19.000 0.009 0.000 0.794 29 A HN 0.273 nan 8.150 nan 0.000 0.481 30 A N -0.473 122.358 122.820 0.018 0.000 1.968 30 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 30 A C 1.932 179.543 177.584 0.044 0.000 1.169 30 A CA 1.378 53.439 52.037 0.039 0.000 0.638 30 A CB -0.384 18.641 19.000 0.041 0.000 0.812 30 A HN 0.615 nan 8.150 nan 0.000 0.446 31 L N 0.009 121.233 121.223 0.001 0.000 2.083 31 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 31 L C 2.355 179.242 176.870 0.027 0.000 1.083 31 L CA 1.737 56.563 54.840 -0.022 0.000 0.752 31 L CB -0.572 41.418 42.059 -0.114 0.000 0.899 31 L HN 0.162 nan 8.230 nan 0.000 0.433 32 V N 0.652 120.579 119.914 0.022 0.000 2.231 32 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 32 V C -0.085 176.049 176.094 0.067 0.000 1.054 32 V CA 2.571 64.892 62.300 0.035 0.000 1.015 32 V CB -1.881 29.956 31.823 0.023 0.000 0.638 32 V HN 0.395 nan 8.190 nan 0.000 0.444 33 P HA -0.012 nan 4.420 nan 0.000 0.222 33 P C 1.574 178.952 177.300 0.130 0.000 1.153 33 P CA 1.562 64.716 63.100 0.089 0.000 0.798 33 P CB -0.131 31.616 31.700 0.078 0.000 0.796 34 A N 0.636 123.560 122.820 0.174 0.000 1.908 34 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 34 A C 2.367 180.161 177.584 0.349 0.000 1.181 34 A CA 2.502 54.704 52.037 0.274 0.000 0.627 34 A CB -1.635 17.600 19.000 0.392 0.000 0.818 34 A HN 0.352 nan 8.150 nan 0.000 0.445 35 S N -0.584 115.322 115.700 0.343 0.000 2.489 35 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 35 S C 1.484 176.199 174.600 0.192 0.000 0.995 35 S CA 1.049 59.458 58.200 0.348 0.000 0.934 35 S CB -0.315 63.012 63.200 0.211 0.000 0.771 35 S HN 0.650 nan 8.310 nan 0.000 0.522 36 E N 0.597 120.877 120.200 0.134 0.000 2.204 36 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 36 E C 1.515 178.158 176.600 0.073 0.000 0.989 36 E CA 1.128 57.580 56.400 0.087 0.000 0.824 36 E CB -0.110 29.630 29.700 0.068 0.000 0.756 36 E HN 0.647 nan 8.360 nan 0.000 0.477 37 I N -0.219 120.398 120.570 0.078 0.000 3.445 37 I HA 0.060 4.230 4.170 -0.000 0.000 0.288 37 I C 0.408 176.526 176.117 0.002 0.000 1.198 37 I CA 0.149 61.470 61.300 0.035 0.000 1.417 37 I CB 0.632 38.651 38.000 0.031 0.000 1.205 37 I HN -0.104 nan 8.210 nan 0.000 0.448 38 L N 2.236 123.462 121.223 0.005 0.000 2.346 38 L HA 0.559 4.899 4.340 -0.000 0.000 0.274 38 L C -0.445 176.426 176.870 0.001 0.000 1.007 38 L CA -0.817 53.968 54.840 -0.091 0.000 0.818 38 L CB 2.176 44.050 42.059 -0.309 0.000 1.284 38 L HN 0.033 nan 8.230 nan 0.000 0.424 39 I N -1.088 119.495 120.570 0.021 0.000 2.947 39 I HA 0.509 4.679 4.170 -0.000 0.000 0.314 39 I C -2.001 174.188 176.117 0.120 0.000 1.028 39 I CA -2.271 59.106 61.300 0.130 0.000 1.077 39 I CB 1.285 39.361 38.000 0.126 0.000 1.274 39 I HN 0.294 nan 8.210 nan 0.000 0.485 40 P HA -0.149 nan 4.420 nan 0.000 0.216 40 P C 0.961 178.405 177.300 0.240 0.000 1.150 40 P CA 1.467 64.718 63.100 0.252 0.000 0.843 40 P CB 0.077 31.940 31.700 0.271 0.000 0.787 41 E N -0.698 119.594 120.200 0.154 0.000 2.333 41 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 41 E C 1.500 178.164 176.600 0.108 0.000 1.007 41 E CA 0.816 57.283 56.400 0.112 0.000 0.845 41 E CB -0.877 28.864 29.700 0.068 0.000 0.766 41 E HN 0.334 nan 8.360 nan 0.000 0.507 42 D N -0.288 120.162 120.400 0.082 0.000 2.264 42 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 42 D C -0.100 176.161 176.300 -0.066 0.000 0.966 42 D CA 0.554 54.533 54.000 -0.035 0.000 0.864 42 D CB -0.078 40.627 40.800 -0.157 0.000 0.933 42 D HN 0.186 nan 8.370 nan 0.000 0.499 43 F N 0.770 120.705 119.950 -0.023 0.000 2.467 43 F HA -0.003 4.524 4.527 -0.000 0.000 0.362 43 F C 1.472 177.314 175.800 0.070 0.000 1.090 43 F CA -0.664 57.356 58.000 0.035 0.000 1.202 43 F CB 0.562 39.596 39.000 0.057 0.000 1.113 43 F HN -0.159 nan 8.300 nan 0.000 0.541 44 Y N 3.753 124.106 120.300 0.087 0.000 2.163 44 Y HA 0.021 4.571 4.550 -0.000 0.000 0.288 44 Y C 1.308 177.215 175.900 0.012 0.000 1.136 44 Y CA 1.130 59.245 58.100 0.025 0.000 1.147 44 Y CB -0.061 38.389 38.460 -0.018 0.000 0.987 44 Y HN 0.347 nan 8.280 nan 0.000 0.509 45 R N 0.033 120.438 120.500 -0.159 0.000 2.491 45 R HA 0.265 4.605 4.340 -0.000 0.000 0.283 45 R C 1.231 177.436 176.300 -0.157 0.000 1.072 45 R CA 0.310 56.213 56.100 -0.329 0.000 1.048 45 R CB 0.979 30.979 30.300 -0.500 0.000 0.983 45 R HN 0.422 nan 8.270 nan 0.000 0.450 46 A N 3.243 125.957 122.820 -0.176 0.000 1.897 46 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 46 A C 2.109 179.682 177.584 -0.018 0.000 1.181 46 A CA 1.546 53.534 52.037 -0.083 0.000 0.620 46 A CB -0.537 18.402 19.000 -0.100 0.000 0.821 46 A HN 0.852 nan 8.150 nan 0.000 0.443 47 A N -0.462 122.342 122.820 -0.027 0.000 1.948 47 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 47 A C 1.951 179.661 177.584 0.210 0.000 1.177 47 A CA 1.878 53.954 52.037 0.064 0.000 0.636 47 A CB -1.101 17.910 19.000 0.019 0.000 0.815 47 A HN 0.793 nan 8.150 nan 0.000 0.449 48 H N -1.914 117.165 119.070 0.015 0.000 2.395 48 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 48 H C 2.396 177.565 175.328 -0.265 0.000 1.070 48 H CA 1.078 57.083 56.048 -0.070 0.000 1.356 48 H CB 0.048 29.856 29.762 0.077 0.000 1.401 48 H HN 0.624 nan 8.280 nan 0.000 0.524 49 Q N 1.313 121.123 119.800 0.018 0.000 2.045 49 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 49 Q C 2.027 178.046 176.000 0.031 0.000 0.991 49 Q CA 1.820 57.626 55.803 0.005 0.000 0.851 49 Q CB 0.169 28.934 28.738 0.045 0.000 0.911 49 Q HN 0.248 nan 8.270 nan 0.000 0.418 50 K N -0.150 120.274 120.400 0.041 0.000 2.097 50 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 50 K C 1.828 178.474 176.600 0.076 0.000 1.049 50 K CA 1.170 57.495 56.287 0.063 0.000 0.933 50 K CB -0.039 32.489 32.500 0.048 0.000 0.717 50 K HN 0.220 nan 8.250 nan 0.000 0.442 51 I N -0.537 120.059 120.570 0.043 0.000 2.133 51 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 51 I C 1.978 178.064 176.117 -0.052 0.000 1.074 51 I CA 1.088 62.395 61.300 0.012 0.000 1.342 51 I CB -0.238 37.766 38.000 0.006 0.000 1.053 51 I HN 0.037 nan 8.210 nan 0.000 0.404 52 F N 0.915 120.704 119.950 -0.269 0.000 2.202 52 F HA -0.312 4.215 4.527 -0.000 0.000 0.301 52 F C 2.709 178.446 175.800 -0.105 0.000 1.082 52 F CA 1.884 59.714 58.000 -0.282 0.000 1.313 52 F CB -0.370 38.302 39.000 -0.546 0.000 1.024 52 F HN 0.168 nan 8.300 nan 0.000 0.495 53 H N -0.327 118.769 119.070 0.044 0.000 2.326 53 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 53 H C 2.232 177.529 175.328 -0.053 0.000 1.081 53 H CA 1.383 57.448 56.048 0.029 0.000 1.334 53 H CB -0.201 29.590 29.762 0.047 0.000 1.385 53 H HN 0.330 nan 8.280 nan 0.000 0.504 54 A N 1.005 123.806 122.820 -0.031 0.000 1.933 54 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 54 A C 2.629 180.119 177.584 -0.156 0.000 1.175 54 A CA 1.505 53.496 52.037 -0.077 0.000 0.628 54 A CB -0.773 18.231 19.000 0.007 0.000 0.814 54 A HN 0.497 nan 8.150 nan 0.000 0.444 55 M N -0.810 118.660 119.600 -0.217 0.000 2.082 55 M HA -0.163 4.317 4.480 -0.000 0.000 0.258 55 M C 2.001 178.109 176.300 -0.321 0.000 1.069 55 M CA 1.755 56.874 55.300 -0.302 0.000 1.102 55 M CB -0.293 32.001 32.600 -0.510 0.000 1.336 55 M HN 0.442 nan 8.290 nan 0.000 0.404 56 L N -1.280 119.711 121.223 -0.387 0.000 2.072 56 L HA -0.175 4.165 4.340 -0.000 0.000 0.205 56 L C 2.512 179.235 176.870 -0.245 0.000 1.079 56 L CA 1.136 55.788 54.840 -0.313 0.000 0.752 56 L CB -0.429 41.462 42.059 -0.281 0.000 0.906 56 L HN 0.225 nan 8.230 nan 0.000 0.436 57 R N -0.751 119.571 120.500 -0.296 0.000 2.127 57 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 57 R C 2.098 178.319 176.300 -0.131 0.000 1.134 57 R CA 1.114 57.079 56.100 -0.225 0.000 0.975 57 R CB -0.106 30.051 30.300 -0.238 0.000 0.865 57 R HN 0.155 nan 8.270 nan 0.000 0.447 58 V N -0.115 119.725 119.914 -0.124 0.000 2.346 58 V HA -0.111 4.009 4.120 -0.000 0.000 0.244 58 V C 2.217 178.263 176.094 -0.080 0.000 1.037 58 V CA 1.681 63.932 62.300 -0.083 0.000 1.029 58 V CB -0.426 31.357 31.823 -0.067 0.000 0.663 58 V HN 0.465 nan 8.190 nan 0.000 0.454 59 A N -0.595 122.161 122.820 -0.105 0.000 2.032 59 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 59 A C 1.729 179.273 177.584 -0.066 0.000 1.165 59 A CA 1.852 53.836 52.037 -0.087 0.000 0.645 59 A CB -0.554 18.380 19.000 -0.111 0.000 0.807 59 A HN 0.539 nan 8.150 nan 0.000 0.453 60 D N -1.229 119.128 120.400 -0.072 0.000 2.346 60 D HA 0.103 4.743 4.640 -0.000 0.000 0.248 60 D C 1.347 177.625 176.300 -0.038 0.000 1.173 60 D CA 0.415 54.384 54.000 -0.052 0.000 0.878 60 D CB 0.216 40.981 40.800 -0.058 0.000 0.919 60 D HN 0.416 nan 8.370 nan 0.000 0.513 61 R N -0.463 120.016 120.500 -0.035 0.000 2.242 61 R HA 0.490 4.830 4.340 -0.000 0.000 0.138 61 R C 0.679 176.967 176.300 -0.020 0.000 2.004 61 R CA 0.427 56.512 56.100 -0.025 0.000 1.618 61 R CB 0.088 30.374 30.300 -0.023 0.000 1.371 61 R HN 0.053 nan 8.270 nan 0.000 0.480 62 G N 0.491 109.279 108.800 -0.020 0.000 2.697 62 G HA2 0.043 4.003 3.960 -0.000 0.000 0.684 62 G HA3 0.043 4.003 3.960 -0.000 0.000 0.684 62 G C -0.521 174.363 174.900 -0.027 0.000 1.274 62 G CA -0.046 45.040 45.100 -0.022 0.000 0.806 62 G HN 0.465 nan 8.290 nan 0.000 0.644 63 E N -0.320 119.867 120.200 -0.023 0.000 2.594 63 E HA 0.173 4.523 4.350 -0.000 0.000 0.173 63 E C -1.511 175.082 176.600 -0.010 0.000 0.905 63 E CA -0.088 56.303 56.400 -0.016 0.000 1.344 63 E CB 0.092 29.782 29.700 -0.016 0.000 1.156 63 E HN 0.550 nan 8.360 nan 0.000 0.578 64 P HA 0.366 nan 4.420 nan 0.000 0.340 64 P C -0.462 176.831 177.300 -0.012 0.000 1.327 64 P CA -0.450 62.642 63.100 -0.014 0.000 0.823 64 P CB 0.583 32.278 31.700 -0.009 0.000 1.953 65 V N 1.176 121.083 119.914 -0.012 0.000 2.293 65 V HA 0.464 4.584 4.120 -0.000 0.000 0.275 65 V C -0.626 175.500 176.094 0.053 0.000 1.021 65 V CA -0.407 61.891 62.300 -0.004 0.000 0.815 65 V CB -0.023 31.765 31.823 -0.058 0.000 1.025 65 V HN 0.722 nan 8.190 nan 0.000 0.448 66 D N 2.786 123.240 120.400 0.090 0.000 2.610 66 D HA 0.346 4.986 4.640 -0.000 0.000 0.271 66 D C 0.966 177.344 176.300 0.131 0.000 1.174 66 D CA -0.896 53.187 54.000 0.138 0.000 0.949 66 D CB 1.297 42.131 40.800 0.057 0.000 1.430 66 D HN 0.146 nan 8.370 nan 0.000 0.467 67 L N 0.152 121.368 121.223 -0.012 0.000 1.991 67 L HA -0.243 4.097 4.340 -0.000 0.000 0.221 67 L C 2.097 178.885 176.870 -0.136 0.000 1.079 67 L CA 1.855 56.512 54.840 -0.306 0.000 0.778 67 L CB -0.392 41.424 42.059 -0.406 0.000 0.893 67 L HN 0.421 nan 8.230 nan 0.000 0.437 68 V N -0.734 119.131 119.914 -0.081 0.000 2.219 68 V HA -0.386 3.734 4.120 -0.000 0.000 0.248 68 V C 2.616 178.700 176.094 -0.017 0.000 1.053 68 V CA 2.597 64.868 62.300 -0.049 0.000 1.009 68 V CB -0.780 31.022 31.823 -0.036 0.000 0.636 68 V HN 0.562 nan 8.190 nan 0.000 0.445 69 T N -0.797 113.758 114.554 0.002 0.000 2.803 69 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 69 T C 1.683 176.396 174.700 0.021 0.000 1.052 69 T CA 1.769 63.875 62.100 0.009 0.000 1.136 69 T CB -0.138 68.736 68.868 0.010 0.000 0.864 69 T HN 0.261 nan 8.240 nan 0.000 0.467 70 V N 1.554 121.502 119.914 0.056 0.000 2.407 70 V HA -0.086 4.034 4.120 -0.000 0.000 0.245 70 V C 2.981 179.111 176.094 0.058 0.000 1.041 70 V CA 2.030 64.380 62.300 0.083 0.000 1.040 70 V CB -1.233 30.724 31.823 0.224 0.000 0.671 70 V HN 0.726 nan 8.190 nan 0.000 0.455 71 T N -0.557 114.015 114.554 0.029 0.000 2.803 71 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 71 T C 1.857 176.563 174.700 0.011 0.000 1.052 71 T CA 1.699 63.804 62.100 0.009 0.000 1.136 71 T CB -0.411 68.440 68.868 -0.029 0.000 0.864 71 T HN 0.453 nan 8.240 nan 0.000 0.467 72 A N 1.744 124.568 122.820 0.007 0.000 1.855 72 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 72 A C 2.317 179.906 177.584 0.010 0.000 1.191 72 A CA 1.869 53.909 52.037 0.005 0.000 0.613 72 A CB -0.982 18.018 19.000 -0.000 0.000 0.829 72 A HN 0.588 nan 8.150 nan 0.000 0.442 73 E N 0.240 120.447 120.200 0.012 0.000 2.058 73 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 73 E C 1.827 178.441 176.600 0.023 0.000 0.997 73 E CA 1.464 57.871 56.400 0.011 0.000 0.801 73 E CB -0.475 29.225 29.700 0.000 0.000 0.746 73 E HN 0.563 nan 8.360 nan 0.000 0.450 74 L N 0.029 121.270 121.223 0.031 0.000 2.013 74 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 74 L C 2.578 179.466 176.870 0.029 0.000 1.073 74 L CA 1.478 56.342 54.840 0.039 0.000 0.753 74 L CB -0.683 41.406 42.059 0.050 0.000 0.890 74 L HN 0.257 nan 8.230 nan 0.000 0.432 75 A N -0.222 122.611 122.820 0.022 0.000 1.902 75 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 75 A C 2.487 180.079 177.584 0.014 0.000 1.181 75 A CA 1.802 53.848 52.037 0.015 0.000 0.623 75 A CB -0.742 18.264 19.000 0.010 0.000 0.818 75 A HN 0.424 nan 8.150 nan 0.000 0.443 76 A N -0.063 122.766 122.820 0.014 0.000 2.014 76 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 76 A C 2.167 179.761 177.584 0.016 0.000 1.163 76 A CA 1.871 53.916 52.037 0.012 0.000 0.652 76 A CB -0.580 18.426 19.000 0.010 0.000 0.808 76 A HN 1.028 nan 8.150 nan 0.000 0.449 77 S N 0.214 115.928 115.700 0.023 0.000 2.582 77 S HA 0.199 4.669 4.470 -0.000 0.000 0.234 77 S C 0.304 174.917 174.600 0.022 0.000 0.961 77 S CA 0.471 58.687 58.200 0.026 0.000 0.953 77 S CB -0.683 62.542 63.200 0.042 0.000 0.800 77 S HN 0.778 nan 8.310 nan 0.000 0.471 78 E N 1.336 121.546 120.200 0.018 0.000 2.183 78 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 78 E C 0.048 176.656 176.600 0.014 0.000 1.364 78 E CA 0.938 57.346 56.400 0.014 0.000 0.700 78 E CB -2.381 27.324 29.700 0.009 0.000 1.106 78 E HN 0.936 nan 8.360 nan 0.000 0.347 79 Q N 0.003 119.815 119.800 0.020 0.000 2.112 79 Q HA 0.280 4.620 4.340 -0.000 0.000 0.222 79 Q C 1.557 177.573 176.000 0.027 0.000 0.798 79 Q CA -0.412 55.403 55.803 0.020 0.000 1.060 79 Q CB 0.353 29.105 28.738 0.022 0.000 1.184 79 Q HN 0.509 nan 8.270 nan 0.000 0.475 80 L N 1.115 122.354 121.223 0.026 0.000 1.970 80 L HA -0.140 4.199 4.340 -0.000 0.000 0.212 80 L C 2.188 179.076 176.870 0.030 0.000 1.071 80 L CA 1.892 56.751 54.840 0.032 0.000 0.751 80 L CB -0.026 42.047 42.059 0.023 0.000 0.889 80 L HN 0.375 nan 8.230 nan 0.000 0.432 81 E N -0.393 119.817 120.200 0.017 0.000 2.481 81 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 81 E C 1.561 178.162 176.600 0.001 0.000 1.047 81 E CA 0.204 56.611 56.400 0.011 0.000 0.867 81 E CB 0.297 30.000 29.700 0.005 0.000 0.858 81 E HN 0.494 nan 8.360 nan 0.000 0.513 82 E N -0.050 120.151 120.200 0.002 0.000 2.481 82 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 82 E C 1.061 177.652 176.600 -0.014 0.000 1.047 82 E CA -0.042 56.352 56.400 -0.009 0.000 0.867 82 E CB 0.372 30.068 29.700 -0.006 0.000 0.858 82 E HN 0.230 nan 8.360 nan 0.000 0.513 83 I N -0.966 119.607 120.570 0.005 0.000 6.716 83 I HA 0.239 4.409 4.170 -0.000 0.000 0.217 83 I C 1.653 177.746 176.117 -0.040 0.000 0.799 83 I CA -0.137 61.167 61.300 0.006 0.000 2.008 83 I CB -0.501 37.556 38.000 0.093 0.000 1.333 83 I HN -0.046 nan 8.210 nan 0.000 0.480 84 G N -0.719 108.090 108.800 0.014 0.000 3.086 84 G HA2 0.497 4.457 3.960 -0.000 0.000 0.159 84 G HA3 0.497 4.457 3.960 -0.000 0.000 0.159 84 G C 0.134 175.073 174.900 0.064 0.000 1.654 84 G CA 0.276 45.396 45.100 0.033 0.000 1.078 84 G HN 0.654 nan 8.290 nan 0.000 0.558 85 G N -1.835 107.019 108.800 0.091 0.000 3.099 85 G HA2 0.410 4.370 3.960 -0.000 0.000 0.151 85 G HA3 0.410 4.370 3.960 -0.000 0.000 0.151 85 G C 1.210 176.148 174.900 0.063 0.000 1.265 85 G CA 0.821 45.955 45.100 0.057 0.000 0.981 85 G HN 1.099 nan 8.290 nan 0.000 0.601 86 V N -1.583 118.346 119.914 0.026 0.000 2.970 86 V HA 0.014 4.134 4.120 -0.000 0.000 0.260 86 V C 2.447 178.538 176.094 -0.005 0.000 1.100 86 V CA 2.149 64.444 62.300 -0.008 0.000 1.122 86 V CB -0.361 31.437 31.823 -0.041 0.000 0.721 86 V HN 0.374 nan 8.190 nan 0.000 0.483 87 S N 0.045 115.765 115.700 0.033 0.000 2.359 87 S HA -0.214 4.256 4.470 -0.000 0.000 0.224 87 S C 1.783 176.433 174.600 0.084 0.000 1.035 87 S CA 2.320 60.547 58.200 0.045 0.000 1.018 87 S CB -0.580 62.657 63.200 0.061 0.000 0.876 87 S HN 0.821 nan 8.310 nan 0.000 0.448 88 Y N 1.700 122.005 120.300 0.009 0.000 2.314 88 Y HA 0.088 4.638 4.550 -0.000 0.000 0.293 88 Y C 1.833 177.755 175.900 0.037 0.000 1.129 88 Y CA 0.892 59.013 58.100 0.034 0.000 1.201 88 Y CB -0.232 38.263 38.460 0.059 0.000 0.999 88 Y HN 0.158 nan 8.280 nan 0.000 0.541 89 L N -1.336 119.899 121.223 0.019 0.000 2.093 89 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 89 L C 2.375 179.102 176.870 -0.238 0.000 1.085 89 L CA 1.442 56.230 54.840 -0.087 0.000 0.755 89 L CB -0.584 41.400 42.059 -0.126 0.000 0.904 89 L HN 0.119 nan 8.230 nan 0.000 0.435 90 S N -0.662 114.929 115.700 -0.181 0.000 2.387 90 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 90 S C 1.772 176.298 174.600 -0.123 0.000 1.026 90 S CA 0.809 58.908 58.200 -0.169 0.000 0.972 90 S CB -0.051 63.083 63.200 -0.111 0.000 0.814 90 S HN 0.385 nan 8.310 nan 0.000 0.477 91 E N 1.105 121.236 120.200 -0.116 0.000 2.038 91 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 91 E C 2.020 178.527 176.600 -0.154 0.000 1.000 91 E CA 1.181 57.511 56.400 -0.117 0.000 0.803 91 E CB -0.365 29.273 29.700 -0.102 0.000 0.750 91 E HN 0.416 nan 8.360 nan 0.000 0.448 92 L N 0.581 121.655 121.223 -0.248 0.000 1.971 92 L HA -0.261 4.079 4.340 -0.000 0.000 0.215 92 L C 2.680 179.546 176.870 -0.007 0.000 1.072 92 L CA 1.355 56.102 54.840 -0.155 0.000 0.758 92 L CB -0.741 41.250 42.059 -0.114 0.000 0.889 92 L HN 0.139 nan 8.230 nan 0.000 0.433 93 A N 0.179 123.032 122.820 0.054 0.000 1.869 93 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 93 A C 1.957 179.549 177.584 0.013 0.000 1.203 93 A CA 2.407 54.486 52.037 0.070 0.000 0.638 93 A CB -0.801 18.157 19.000 -0.071 0.000 0.831 93 A HN 0.457 nan 8.150 nan 0.000 0.450 94 D N -0.580 119.804 120.400 -0.026 0.000 2.348 94 D HA 0.143 4.783 4.640 -0.000 0.000 0.216 94 D C 1.918 178.213 176.300 -0.010 0.000 0.970 94 D CA 1.089 55.077 54.000 -0.020 0.000 0.889 94 D CB -0.102 40.679 40.800 -0.030 0.000 0.912 94 D HN 0.474 nan 8.370 nan 0.000 0.524 95 A N 0.243 123.055 122.820 -0.014 0.000 1.943 95 A HA 0.068 4.388 4.320 -0.000 0.000 0.213 95 A C 1.289 178.874 177.584 0.003 0.000 1.181 95 A CA 0.120 52.152 52.037 -0.009 0.000 0.653 95 A CB 0.138 19.125 19.000 -0.022 0.000 0.833 95 A HN 0.054 nan 8.150 nan 0.000 0.451 96 V N 2.149 122.066 119.914 0.005 0.000 2.530 96 V HA 0.153 4.273 4.120 -0.000 0.000 0.282 96 V C -0.978 175.137 176.094 0.034 0.000 1.048 96 V CA -0.639 61.672 62.300 0.018 0.000 0.997 96 V CB 1.353 33.181 31.823 0.008 0.000 0.987 96 V HN 0.449 nan 8.190 nan 0.000 0.477 97 P HA 0.071 nan 4.420 nan 0.000 0.220 97 P C 0.452 177.779 177.300 0.046 0.000 1.154 97 P CA 0.565 63.690 63.100 0.042 0.000 0.837 97 P CB 0.496 32.222 31.700 0.044 0.000 0.815 98 T N -1.175 113.418 114.554 0.064 0.000 2.916 98 T HA 0.668 5.018 4.350 -0.000 0.000 0.298 98 T C -0.840 173.914 174.700 0.090 0.000 1.031 98 T CA -0.487 61.652 62.100 0.064 0.000 0.993 98 T CB 1.188 70.089 68.868 0.055 0.000 1.045 98 T HN -0.060 nan 8.240 nan 0.000 0.454 99 A N 2.716 125.577 122.820 0.069 0.000 2.676 99 A HA 0.694 5.014 4.320 -0.000 0.000 0.297 99 A C 1.369 178.988 177.584 0.059 0.000 1.132 99 A CA 0.253 52.339 52.037 0.083 0.000 0.972 99 A CB -0.342 18.697 19.000 0.065 0.000 1.197 99 A HN 1.033 nan 8.150 nan 0.000 0.524 100 A N -0.313 122.525 122.820 0.030 0.000 2.308 100 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 100 A C 1.359 178.901 177.584 -0.071 0.000 1.216 100 A CA 0.308 52.336 52.037 -0.016 0.000 0.864 100 A CB -0.138 18.841 19.000 -0.035 0.000 0.902 100 A HN 0.489 nan 8.150 nan 0.000 0.499 101 N N 0.108 118.784 118.700 -0.040 0.000 2.429 101 N HA 0.069 4.809 4.740 -0.000 0.000 0.220 101 N C 1.578 177.155 175.510 0.113 0.000 1.024 101 N CA 1.693 54.643 53.050 -0.166 0.000 1.105 101 N CB -0.652 37.673 38.487 -0.269 0.000 1.376 101 N HN 0.180 nan 8.380 nan 0.000 0.565 102 V N 1.124 121.258 119.914 0.367 0.000 0.523 102 V HA -0.368 3.752 4.120 -0.000 0.000 0.092 102 V C 1.225 177.536 176.094 0.362 0.000 2.217 102 V CA 2.648 65.167 62.300 0.366 0.000 3.561 102 V CB -1.713 30.234 31.823 0.207 0.000 0.853 102 V HN 0.756 nan 8.190 nan 0.000 0.890 103 E N -0.534 119.835 120.200 0.282 0.000 2.304 103 E HA 0.478 4.828 4.350 -0.000 0.000 0.212 103 E C 0.197 176.918 176.600 0.201 0.000 1.185 103 E CA 0.076 56.603 56.400 0.212 0.000 1.326 103 E CB 0.054 29.831 29.700 0.129 0.000 1.283 103 E HN 0.779 nan 8.360 nan 0.000 0.440 104 Y N -1.552 118.750 120.300 0.004 0.000 1.924 104 Y HA 0.079 4.629 4.550 -0.000 0.000 0.213 104 Y C 0.091 175.967 175.900 -0.039 0.000 1.698 104 Y CA -0.122 57.964 58.100 -0.024 0.000 1.030 104 Y CB 0.120 38.482 38.460 -0.164 0.000 4.231 104 Y HN 0.000 nan 8.280 nan 0.000 0.213 105 Y N -1.199 118.614 120.300 -0.812 0.000 2.740 105 Y HA -0.553 3.997 4.550 -0.000 0.000 0.477 105 Y C 2.045 177.846 175.900 -0.164 0.000 1.087 105 Y CA 0.870 58.853 58.100 -0.195 0.000 2.923 105 Y CB -2.015 36.524 38.460 0.132 0.000 1.083 105 Y HN 0.519 nan 8.280 nan 0.000 0.601 106 A N 0.329 123.221 122.820 0.120 0.000 1.859 106 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 106 A C 1.837 179.370 177.584 -0.085 0.000 1.198 106 A CA 2.596 54.632 52.037 -0.002 0.000 0.629 106 A CB -0.882 18.154 19.000 0.060 0.000 0.830 106 A HN 0.590 nan 8.150 nan 0.000 0.446 107 R N -0.739 119.712 120.500 -0.081 0.000 2.117 107 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 107 R C 2.019 178.231 176.300 -0.147 0.000 1.143 107 R CA 1.636 57.671 56.100 -0.108 0.000 0.968 107 R CB -0.496 29.748 30.300 -0.093 0.000 0.863 107 R HN 0.653 nan 8.270 nan 0.000 0.444 108 I N -0.279 120.176 120.570 -0.192 0.000 2.113 108 I HA -0.299 3.871 4.170 -0.000 0.000 0.238 108 I C 2.133 178.159 176.117 -0.151 0.000 1.070 108 I CA 1.326 62.525 61.300 -0.168 0.000 1.332 108 I CB -0.309 37.597 38.000 -0.158 0.000 1.044 108 I HN -0.004 nan 8.210 nan 0.000 0.402 109 V N 0.533 120.335 119.914 -0.186 0.000 2.332 109 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 109 V C 2.481 178.441 176.094 -0.223 0.000 1.055 109 V CA 2.051 64.198 62.300 -0.255 0.000 1.038 109 V CB -0.807 30.733 31.823 -0.471 0.000 0.651 109 V HN 0.497 nan 8.190 nan 0.000 0.450 110 E N 0.168 120.251 120.200 -0.196 0.000 2.085 110 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 110 E C 2.227 178.764 176.600 -0.104 0.000 0.994 110 E CA 1.690 58.005 56.400 -0.141 0.000 0.801 110 E CB -0.012 29.624 29.700 -0.106 0.000 0.743 110 E HN 0.733 nan 8.360 nan 0.000 0.453 111 E N 0.200 120.339 120.200 -0.102 0.000 2.017 111 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 111 E C 2.163 178.715 176.600 -0.081 0.000 0.997 111 E CA 1.034 57.385 56.400 -0.082 0.000 0.804 111 E CB 0.012 29.663 29.700 -0.083 0.000 0.757 111 E HN 0.108 nan 8.360 nan 0.000 0.448 112 K N 0.651 120.994 120.400 -0.096 0.000 2.211 112 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 112 K C 2.268 178.818 176.600 -0.083 0.000 1.047 112 K CA 0.788 57.018 56.287 -0.095 0.000 0.935 112 K CB -0.462 31.972 32.500 -0.110 0.000 0.728 112 K HN 0.008 nan 8.250 nan 0.000 0.452 113 S N 1.029 116.680 115.700 -0.082 0.000 2.356 113 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 113 S C 2.150 176.727 174.600 -0.038 0.000 1.032 113 S CA 1.298 59.467 58.200 -0.052 0.000 1.005 113 S CB -0.210 62.952 63.200 -0.063 0.000 0.867 113 S HN 0.060 nan 8.310 nan 0.000 0.449 114 V N 2.491 122.379 119.914 -0.045 0.000 2.287 114 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 114 V C 2.504 178.578 176.094 -0.032 0.000 1.053 114 V CA 2.025 64.305 62.300 -0.033 0.000 1.027 114 V CB -0.794 31.008 31.823 -0.035 0.000 0.646 114 V HN 0.501 nan 8.190 nan 0.000 0.447 115 L N -0.691 120.507 121.223 -0.042 0.000 2.043 115 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 115 L C 2.847 179.694 176.870 -0.038 0.000 1.075 115 L CA 1.845 56.659 54.840 -0.043 0.000 0.752 115 L CB -0.653 41.373 42.059 -0.056 0.000 0.891 115 L HN 0.288 nan 8.230 nan 0.000 0.432 116 R N -0.365 120.112 120.500 -0.039 0.000 2.081 116 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 116 R C 2.419 178.715 176.300 -0.007 0.000 1.131 116 R CA 1.237 57.322 56.100 -0.025 0.000 0.960 116 R CB -0.262 30.034 30.300 -0.008 0.000 0.856 116 R HN 0.365 nan 8.270 nan 0.000 0.436 117 R N 0.362 120.858 120.500 -0.006 0.000 2.120 117 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 117 R C 2.273 178.571 176.300 -0.004 0.000 1.123 117 R CA 0.936 57.036 56.100 -0.001 0.000 0.975 117 R CB -0.353 29.947 30.300 -0.001 0.000 0.866 117 R HN 0.109 nan 8.270 nan 0.000 0.446 118 L N 1.164 122.381 121.223 -0.010 0.000 1.961 118 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 118 L C 2.100 178.966 176.870 -0.007 0.000 1.072 118 L CA 1.680 56.514 54.840 -0.010 0.000 0.749 118 L CB -0.448 41.602 42.059 -0.015 0.000 0.889 118 L HN 0.099 nan 8.230 nan 0.000 0.432 119 I N -0.758 119.806 120.570 -0.010 0.000 2.145 119 I HA -0.404 3.766 4.170 -0.000 0.000 0.244 119 I C 2.777 178.895 176.117 0.001 0.000 1.075 119 I CA 1.701 62.997 61.300 -0.007 0.000 1.332 119 I CB -0.385 37.606 38.000 -0.014 0.000 1.033 119 I HN 0.352 nan 8.210 nan 0.000 0.410 120 R N 0.514 121.017 120.500 0.004 0.000 2.080 120 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 120 R C 2.405 178.711 176.300 0.010 0.000 1.137 120 R CA 2.484 58.591 56.100 0.010 0.000 0.943 120 R CB -0.391 29.918 30.300 0.014 0.000 0.846 120 R HN 0.520 nan 8.270 nan 0.000 0.431 121 T N -2.341 112.217 114.554 0.006 0.000 3.035 121 T HA 0.094 4.444 4.350 -0.000 0.000 0.268 121 T C 1.765 176.468 174.700 0.005 0.000 1.109 121 T CA 0.801 62.905 62.100 0.005 0.000 1.119 121 T CB 0.079 68.948 68.868 0.003 0.000 0.900 121 T HN 0.310 nan 8.240 nan 0.000 0.503 122 A N 1.811 124.633 122.820 0.004 0.000 1.878 122 A HA 0.099 4.419 4.320 -0.000 0.000 0.213 122 A C 2.592 180.182 177.584 0.011 0.000 1.192 122 A CA 1.531 53.570 52.037 0.004 0.000 0.619 122 A CB -1.225 17.775 19.000 0.000 0.000 0.837 122 A HN 0.485 nan 8.150 nan 0.000 0.446 123 T N -0.144 114.419 114.554 0.014 0.000 2.720 123 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 123 T C 2.181 176.900 174.700 0.031 0.000 1.037 123 T CA 1.805 63.920 62.100 0.025 0.000 1.144 123 T CB -0.388 68.493 68.868 0.021 0.000 0.864 123 T HN 0.474 nan 8.240 nan 0.000 0.444 124 S N 0.252 115.966 115.700 0.023 0.000 2.440 124 S HA -0.017 4.453 4.470 -0.000 0.000 0.238 124 S C 1.923 176.537 174.600 0.023 0.000 1.010 124 S CA 0.627 58.842 58.200 0.024 0.000 0.972 124 S CB -0.518 62.693 63.200 0.017 0.000 0.774 124 S HN 0.457 nan 8.310 nan 0.000 0.501 125 I N 0.883 121.462 120.570 0.015 0.000 2.277 125 I HA -0.050 4.120 4.170 -0.000 0.000 0.243 125 I C 2.772 178.890 176.117 0.001 0.000 1.094 125 I CA 0.942 62.243 61.300 0.002 0.000 1.393 125 I CB -0.605 37.391 38.000 -0.007 0.000 1.078 125 I HN 0.355 nan 8.210 nan 0.000 0.417 126 A N 0.610 123.443 122.820 0.021 0.000 1.845 126 A HA -0.306 4.014 4.320 -0.000 0.000 0.215 126 A C 2.218 179.885 177.584 0.139 0.000 1.195 126 A CA 2.102 54.167 52.037 0.046 0.000 0.616 126 A CB -0.883 18.169 19.000 0.086 0.000 0.832 126 A HN 0.447 nan 8.150 nan 0.000 0.443 127 Q N 0.307 120.197 119.800 0.150 0.000 2.156 127 Q HA -0.273 4.067 4.340 -0.000 0.000 0.211 127 Q C 1.211 177.312 176.000 0.168 0.000 0.995 127 Q CA 2.613 58.519 55.803 0.172 0.000 0.877 127 Q CB -0.684 28.106 28.738 0.086 0.000 0.920 127 Q HN 0.629 nan 8.270 nan 0.000 0.416 128 D N -1.173 119.276 120.400 0.083 0.000 2.312 128 D HA 0.026 4.666 4.640 -0.000 0.000 0.211 128 D C 1.497 177.800 176.300 0.005 0.000 0.964 128 D CA 1.086 55.113 54.000 0.045 0.000 0.877 128 D CB -0.348 40.462 40.800 0.016 0.000 0.924 128 D HN 0.520 nan 8.370 nan 0.000 0.515 129 G N -0.803 107.960 108.800 -0.061 0.000 2.471 129 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 129 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 129 G C 0.837 175.535 174.900 -0.337 0.000 1.125 129 G CA 0.506 45.452 45.100 -0.257 0.000 0.775 129 G HN 0.327 nan 8.290 nan 0.000 0.548 130 Y N 0.331 120.630 120.300 -0.001 0.000 2.524 130 Y HA 0.102 4.651 4.550 -0.000 0.000 0.270 130 Y C 2.992 178.892 175.900 -0.001 0.000 1.094 130 Y CA 0.988 59.088 58.100 -0.001 0.000 1.276 130 Y CB -0.086 38.374 38.460 -0.001 0.000 1.130 130 Y HN 0.202 nan 8.280 nan 0.000 0.536 131 T N -1.741 112.899 114.554 0.143 0.000 3.067 131 T HA 0.178 4.528 4.350 -0.000 0.000 0.257 131 T C 1.117 175.843 174.700 0.044 0.000 1.105 131 T CA 0.122 62.272 62.100 0.083 0.000 1.104 131 T CB 0.112 69.021 68.868 0.069 0.000 0.925 131 T HN 0.063 nan 8.240 nan 0.000 0.498 132 R N 0.403 120.919 120.500 0.026 0.000 2.544 132 R HA 0.611 4.951 4.340 -0.000 0.000 0.205 132 R C 0.701 177.004 176.300 0.004 0.000 1.324 132 R CA -0.519 55.586 56.100 0.009 0.000 1.008 132 R CB 0.203 30.502 30.300 -0.003 0.000 2.138 132 R HN 0.209 nan 8.270 nan 0.000 0.514 133 E N -1.792 118.404 120.200 -0.007 0.000 3.557 133 E HA -0.144 4.206 4.350 -0.000 0.000 0.385 133 E C -0.640 175.955 176.600 -0.008 0.000 0.471 133 E CA 0.583 56.977 56.400 -0.011 0.000 1.776 133 E CB -0.281 29.418 29.700 -0.001 0.000 2.005 133 E HN 0.653 nan 8.360 nan 0.000 0.501 134 D N -0.692 119.706 120.400 -0.004 0.000 4.195 134 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 134 D C 1.086 177.383 176.300 -0.005 0.000 1.063 134 D CA 2.531 56.530 54.000 -0.002 0.000 2.321 134 D CB -0.994 39.807 40.800 0.002 0.000 1.163 134 D HN 0.364 nan 8.370 nan 0.000 0.415 135 E N -0.510 119.685 120.200 -0.009 0.000 2.279 135 E HA 0.233 4.583 4.350 -0.000 0.000 0.199 135 E C 1.592 178.184 176.600 -0.013 0.000 0.893 135 E CA 0.408 56.803 56.400 -0.010 0.000 0.978 135 E CB 0.928 30.623 29.700 -0.008 0.000 0.964 135 E HN 0.325 nan 8.360 nan 0.000 0.486 136 I N 0.972 121.530 120.570 -0.020 0.000 4.279 136 I HA -0.481 3.689 4.170 -0.000 0.000 0.086 136 I C 1.067 177.172 176.117 -0.020 0.000 0.569 136 I CA 2.251 63.537 61.300 -0.023 0.000 1.069 136 I CB -1.875 36.112 38.000 -0.021 0.000 0.952 136 I HN 0.216 nan 8.210 nan 0.000 0.183 137 D N 0.920 121.312 120.400 -0.015 0.000 2.216 137 D HA 0.118 4.758 4.640 -0.000 0.000 0.208 137 D C 2.265 178.559 176.300 -0.011 0.000 0.960 137 D CA 1.273 55.266 54.000 -0.012 0.000 0.861 137 D CB -0.072 40.722 40.800 -0.009 0.000 0.985 137 D HN 0.413 nan 8.370 nan 0.000 0.493 138 V N 1.176 121.084 119.914 -0.010 0.000 2.379 138 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 138 V C 2.613 178.701 176.094 -0.010 0.000 1.044 138 V CA 0.821 63.116 62.300 -0.008 0.000 1.036 138 V CB -0.411 31.409 31.823 -0.005 0.000 0.664 138 V HN 0.162 nan 8.190 nan 0.000 0.453 139 L N -0.749 120.465 121.223 -0.014 0.000 2.042 139 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 139 L C 2.333 179.191 176.870 -0.020 0.000 1.076 139 L CA 1.792 56.620 54.840 -0.019 0.000 0.749 139 L CB -0.132 41.910 42.059 -0.029 0.000 0.893 139 L HN 0.304 nan 8.230 nan 0.000 0.432 140 L N -1.219 119.992 121.223 -0.020 0.000 2.270 140 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 140 L C 1.976 178.838 176.870 -0.014 0.000 1.104 140 L CA 0.566 55.395 54.840 -0.019 0.000 0.804 140 L CB -0.249 41.799 42.059 -0.019 0.000 0.937 140 L HN 0.242 nan 8.230 nan 0.000 0.450 141 D N 0.016 120.410 120.400 -0.011 0.000 2.144 141 D HA -0.167 4.473 4.640 -0.000 0.000 0.207 141 D C 1.693 177.989 176.300 -0.007 0.000 0.970 141 D CA 1.177 55.172 54.000 -0.008 0.000 0.853 141 D CB -0.056 40.740 40.800 -0.007 0.000 1.007 141 D HN 0.447 nan 8.370 nan 0.000 0.469 142 E N 0.573 120.769 120.200 -0.007 0.000 2.533 142 E HA 0.037 4.387 4.350 -0.000 0.000 0.201 142 E C 1.248 177.844 176.600 -0.006 0.000 1.097 142 E CA 0.482 56.879 56.400 -0.005 0.000 0.887 142 E CB 0.091 29.789 29.700 -0.003 0.000 0.855 142 E HN 0.127 nan 8.360 nan 0.000 0.540 143 A N 1.081 123.896 122.820 -0.009 0.000 2.014 143 A HA -0.011 4.309 4.320 -0.000 0.000 0.210 143 A C 1.550 179.129 177.584 -0.008 0.000 1.188 143 A CA 0.639 52.670 52.037 -0.010 0.000 0.731 143 A CB 0.197 19.188 19.000 -0.015 0.000 0.858 143 A HN 0.150 nan 8.150 nan 0.000 0.464 144 D N -0.150 120.245 120.400 -0.008 0.000 2.137 144 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 144 D C 2.033 178.330 176.300 -0.005 0.000 0.970 144 D CA 0.982 54.978 54.000 -0.007 0.000 0.837 144 D CB -0.369 40.427 40.800 -0.007 0.000 0.981 144 D HN 0.445 nan 8.370 nan 0.000 0.475 145 R N 1.414 121.911 120.500 -0.004 0.000 2.096 145 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 145 R C 1.862 178.161 176.300 -0.001 0.000 1.139 145 R CA 1.412 57.511 56.100 -0.002 0.000 0.952 145 R CB 0.042 30.341 30.300 -0.002 0.000 0.854 145 R HN 0.067 nan 8.270 nan 0.000 0.436 146 K N -0.127 120.272 120.400 -0.002 0.000 2.103 146 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 146 K C 2.033 178.632 176.600 -0.001 0.000 1.052 146 K CA 0.831 57.117 56.287 -0.001 0.000 0.945 146 K CB 0.048 32.548 32.500 -0.000 0.000 0.722 146 K HN 0.242 nan 8.250 nan 0.000 0.443 147 I N 0.975 121.543 120.570 -0.003 0.000 2.876 147 I HA -0.108 4.062 4.170 -0.000 0.000 0.264 147 I C 1.820 177.935 176.117 -0.004 0.000 1.204 147 I CA 0.883 62.181 61.300 -0.004 0.000 1.485 147 I CB -0.233 37.763 38.000 -0.006 0.000 1.103 147 I HN 0.232 nan 8.210 nan 0.000 0.446 148 M N 0.131 119.729 119.600 -0.003 0.000 2.562 148 M HA -0.013 4.467 4.480 -0.000 0.000 0.257 148 M C 0.696 176.995 176.300 -0.002 0.000 1.099 148 M CA 0.741 56.040 55.300 -0.003 0.000 1.099 148 M CB -0.603 31.995 32.600 -0.002 0.000 1.427 148 M HN 0.155 nan 8.290 nan 0.000 0.489 184 T N 1.412 115.956 114.554 -0.016 0.000 2.896 184 T HA 0.711 5.061 4.350 -0.000 0.000 0.238 184 T C 0.813 175.515 174.700 0.004 0.000 1.045 184 T CA 0.775 62.873 62.100 -0.003 0.000 1.248 184 T CB 0.427 69.297 68.868 0.002 0.000 0.955 184 T HN 1.462 nan 8.240 nan 0.000 0.416 185 G N 0.514 109.321 108.800 0.013 0.000 2.302 185 G HA2 0.345 4.305 3.960 -0.000 0.000 0.276 185 G HA3 0.345 4.305 3.960 -0.000 0.000 0.276 185 G C -1.964 172.956 174.900 0.033 0.000 1.316 185 G CA -0.576 44.536 45.100 0.020 0.000 0.988 185 G HN 0.722 nan 8.290 nan 0.000 0.479 186 I N 1.700 122.299 120.570 0.048 0.000 2.563 186 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 186 I C -2.371 173.765 176.117 0.031 0.000 1.123 186 I CA -1.722 59.613 61.300 0.058 0.000 1.059 186 I CB 3.097 41.158 38.000 0.102 0.000 1.229 186 I HN 0.253 nan 8.210 nan 0.000 0.442 187 P HA 0.065 nan 4.420 nan 0.000 0.244 187 P C 1.052 178.290 177.300 -0.104 0.000 1.769 187 P CA 0.015 63.069 63.100 -0.076 0.000 1.102 187 P CB -0.275 31.386 31.700 -0.066 0.000 1.937 188 T N -0.432 114.071 114.554 -0.085 0.000 7.940 188 T HA -0.399 3.951 4.350 -0.000 0.000 0.295 188 T C 1.624 176.056 174.700 -0.447 0.000 1.095 188 T CA 2.128 64.126 62.100 -0.170 0.000 2.276 188 T CB -2.188 66.532 68.868 -0.248 0.000 2.687 188 T HN 0.575 nan 8.240 nan 0.000 1.193 189 G N 1.238 109.815 108.800 -0.372 0.000 2.435 189 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.245 189 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.245 189 G C 0.145 174.832 174.900 -0.355 0.000 1.073 189 G CA 0.259 45.070 45.100 -0.482 0.000 0.638 189 G HN 0.827 nan 8.290 nan 0.000 0.521 190 F N 2.281 122.244 119.950 0.022 0.000 2.361 190 F HA 0.446 4.973 4.527 -0.000 0.000 0.364 190 F C 1.921 177.726 175.800 0.009 0.000 1.120 190 F CA -0.306 57.717 58.000 0.039 0.000 1.102 190 F CB 1.400 40.451 39.000 0.085 0.000 1.183 190 F HN 0.017 nan 8.300 nan 0.000 0.476 191 T N 0.724 115.396 114.554 0.197 0.000 2.592 191 T HA -0.313 4.037 4.350 -0.000 0.000 0.267 191 T C 1.574 176.315 174.700 0.068 0.000 1.060 191 T CA 2.228 64.385 62.100 0.095 0.000 1.167 191 T CB -0.299 68.617 68.868 0.080 0.000 0.863 191 T HN 0.755 nan 8.240 nan 0.000 0.431 192 E N 1.004 121.251 120.200 0.078 0.000 2.478 192 E HA 0.134 4.484 4.350 -0.000 0.000 0.194 192 E C 2.056 178.677 176.600 0.036 0.000 1.045 192 E CA 0.013 56.440 56.400 0.044 0.000 0.868 192 E CB -0.233 29.489 29.700 0.036 0.000 0.885 192 E HN 0.314 nan 8.360 nan 0.000 0.505 193 L N 2.142 123.404 121.223 0.065 0.000 2.044 193 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 193 L C 1.249 178.085 176.870 -0.058 0.000 1.075 193 L CA 1.964 56.823 54.840 0.032 0.000 0.747 193 L CB -0.389 41.745 42.059 0.124 0.000 0.903 193 L HN -0.105 nan 8.230 nan 0.000 0.435 194 D N -0.292 120.072 120.400 -0.061 0.000 2.172 194 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 194 D C 2.253 178.509 176.300 -0.073 0.000 0.999 194 D CA 1.373 55.310 54.000 -0.105 0.000 0.856 194 D CB -0.122 40.638 40.800 -0.067 0.000 0.934 194 D HN 0.397 nan 8.370 nan 0.000 0.453 195 R N -0.267 120.212 120.500 -0.036 0.000 2.075 195 R HA 0.048 4.388 4.340 -0.000 0.000 0.232 195 R C 2.394 178.679 176.300 -0.025 0.000 1.126 195 R CA 0.834 56.920 56.100 -0.023 0.000 0.963 195 R CB -0.302 29.994 30.300 -0.006 0.000 0.858 195 R HN 0.280 nan 8.270 nan 0.000 0.435 196 M N 0.339 119.924 119.600 -0.025 0.000 2.254 196 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 196 M C 2.176 178.459 176.300 -0.029 0.000 1.066 196 M CA 1.863 57.151 55.300 -0.019 0.000 1.123 196 M CB -0.179 32.414 32.600 -0.010 0.000 1.388 196 M HN 0.314 nan 8.290 nan 0.000 0.425 197 T N -3.900 110.617 114.554 -0.061 0.000 2.988 197 T HA 0.121 4.471 4.350 -0.000 0.000 0.240 197 T C 0.844 175.503 174.700 -0.070 0.000 1.014 197 T CA 0.568 62.622 62.100 -0.076 0.000 1.155 197 T CB -0.019 68.742 68.868 -0.179 0.000 0.872 197 T HN 0.298 nan 8.240 nan 0.000 0.440 198 S N 0.837 116.481 115.700 -0.092 0.000 3.990 198 S HA 0.257 4.727 4.470 -0.000 0.000 0.346 198 S C 0.773 175.329 174.600 -0.073 0.000 1.030 198 S CA 0.580 58.740 58.200 -0.067 0.000 1.011 198 S CB -2.104 61.077 63.200 -0.031 0.000 0.863 198 S HN 1.961 nan 8.310 nan 0.000 0.485 199 G N 0.173 108.883 108.800 -0.151 0.000 2.582 199 G HA2 0.310 4.270 3.960 -0.000 0.000 0.222 199 G HA3 0.310 4.270 3.960 -0.000 0.000 0.222 199 G C -0.549 174.192 174.900 -0.265 0.000 1.311 199 G CA -0.144 44.874 45.100 -0.135 0.000 0.915 199 G HN 1.589 nan 8.290 nan 0.000 0.528 200 F N -1.017 118.937 119.950 0.007 0.000 2.005 200 F HA 0.036 4.563 4.527 -0.000 0.000 0.306 200 F C 0.717 176.514 175.800 -0.004 0.000 1.080 200 F CA 0.991 58.989 58.000 -0.002 0.000 1.039 200 F CB -1.874 37.120 39.000 -0.010 0.000 1.583 200 F HN 1.268 nan 8.300 nan 0.000 0.741 201 Q N 0.805 120.720 119.800 0.191 0.000 2.648 201 Q HA 0.834 5.174 4.340 -0.000 0.000 0.300 201 Q C -1.198 174.843 176.000 0.069 0.000 0.954 201 Q CA -1.604 54.257 55.803 0.098 0.000 0.757 201 Q CB 2.171 30.950 28.738 0.068 0.000 1.482 201 Q HN 0.508 nan 8.270 nan 0.000 0.437 202 R N 0.361 120.887 120.500 0.043 0.000 2.207 202 R HA 0.531 4.871 4.340 -0.000 0.000 0.334 202 R C -0.584 175.726 176.300 0.018 0.000 1.013 202 R CA 0.090 56.206 56.100 0.027 0.000 0.858 202 R CB 0.981 31.294 30.300 0.021 0.000 1.094 202 R HN 0.845 nan 8.270 nan 0.000 0.457 203 S N 0.676 116.383 115.700 0.011 0.000 2.185 203 S HA -0.091 4.379 4.470 -0.000 0.000 0.255 203 S C -0.946 173.656 174.600 0.003 0.000 1.434 203 S CA 0.182 58.384 58.200 0.004 0.000 1.085 203 S CB -0.675 62.527 63.200 0.003 0.000 1.388 203 S HN 0.694 nan 8.310 nan 0.000 0.688 204 D N 1.405 121.811 120.400 0.009 0.000 2.168 204 D HA 0.582 5.222 4.640 -0.000 0.000 0.246 204 D C -0.323 175.969 176.300 -0.013 0.000 1.050 204 D CA -0.391 53.614 54.000 0.009 0.000 0.857 204 D CB 1.184 42.008 40.800 0.040 0.000 1.169 204 D HN 0.230 nan 8.370 nan 0.000 0.453 205 L N 2.753 123.964 121.223 -0.020 0.000 2.264 205 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 205 L C -1.206 175.639 176.870 -0.041 0.000 1.044 205 L CA -0.188 54.629 54.840 -0.039 0.000 0.807 205 L CB 0.488 42.526 42.059 -0.035 0.000 1.192 205 L HN 0.312 nan 8.230 nan 0.000 0.425 206 I N 6.780 127.305 120.570 -0.076 0.000 2.355 206 I HA 0.395 4.565 4.170 -0.000 0.000 0.288 206 I C -0.319 175.753 176.117 -0.076 0.000 0.999 206 I CA -0.231 61.024 61.300 -0.075 0.000 1.163 206 I CB 1.520 39.420 38.000 -0.165 0.000 1.316 206 I HN 0.596 nan 8.210 nan 0.000 0.454 207 I N 7.553 128.086 120.570 -0.063 0.000 2.330 207 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 207 I C -1.033 175.031 176.117 -0.088 0.000 1.001 207 I CA -0.595 60.666 61.300 -0.065 0.000 1.193 207 I CB 0.918 38.879 38.000 -0.066 0.000 1.345 207 I HN 0.233 nan 8.210 nan 0.000 0.461 208 V N 8.093 127.991 119.914 -0.027 0.000 2.328 208 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 208 V C 0.367 176.465 176.094 0.007 0.000 1.021 208 V CA -0.371 61.927 62.300 -0.003 0.000 0.838 208 V CB 0.939 32.857 31.823 0.158 0.000 0.999 208 V HN 0.824 nan 8.190 nan 0.000 0.447 209 A N 4.323 127.120 122.820 -0.039 0.000 2.350 209 A HA 1.033 5.353 4.320 -0.000 0.000 0.324 209 A C -0.185 177.520 177.584 0.202 0.000 1.118 209 A CA -0.166 51.928 52.037 0.094 0.000 0.783 209 A CB 1.741 20.830 19.000 0.148 0.000 1.236 209 A HN 1.537 nan 8.150 nan 0.000 0.457 210 A N 1.818 124.728 122.820 0.149 0.000 2.594 210 A HA 0.662 4.982 4.320 -0.000 0.000 0.296 210 A C -0.393 177.228 177.584 0.062 0.000 1.061 210 A CA -0.815 51.292 52.037 0.116 0.000 0.689 210 A CB 0.879 19.915 19.000 0.060 0.000 1.280 210 A HN 0.806 nan 8.150 nan 0.000 0.406 211 R N 0.543 121.072 120.500 0.048 0.000 2.827 211 R HA 0.251 4.591 4.340 -0.000 0.000 0.269 211 R C -2.373 173.919 176.300 -0.012 0.000 1.048 211 R CA -1.052 55.059 56.100 0.019 0.000 1.173 211 R CB -0.317 29.994 30.300 0.017 0.000 1.070 211 R HN 0.416 nan 8.270 nan 0.000 0.498 212 P HA -0.055 nan 4.420 nan 0.000 0.262 212 P C -0.416 176.861 177.300 -0.040 0.000 1.182 212 P CA 0.758 63.831 63.100 -0.046 0.000 0.761 212 P CB 0.424 32.105 31.700 -0.032 0.000 0.795 213 S N 0.410 116.082 115.700 -0.046 0.000 3.783 213 S HA -0.109 4.361 4.470 -0.000 0.000 0.360 213 S C 0.881 175.446 174.600 -0.059 0.000 1.006 213 S CA 0.596 58.773 58.200 -0.040 0.000 1.115 213 S CB -1.820 61.363 63.200 -0.028 0.000 0.893 213 S HN 0.385 nan 8.310 nan 0.000 0.475 214 V N -0.856 119.020 119.914 -0.064 0.000 3.379 214 V HA 0.461 4.581 4.120 -0.000 0.000 0.249 214 V C 1.704 177.716 176.094 -0.137 0.000 1.184 214 V CA 1.088 63.331 62.300 -0.096 0.000 1.106 214 V CB 0.741 32.531 31.823 -0.054 0.000 0.826 214 V HN 1.236 nan 8.190 nan 0.000 0.465 215 G N 1.169 109.937 108.800 -0.053 0.000 2.161 215 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.140 215 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.140 215 G C 0.668 175.699 174.900 0.220 0.000 1.040 215 G CA 0.284 45.400 45.100 0.027 0.000 0.735 215 G HN 0.519 nan 8.290 nan 0.000 0.496 216 K N -0.437 120.040 120.400 0.128 0.000 2.063 216 K HA -0.035 4.285 4.320 -0.000 0.000 0.208 216 K C 2.138 178.879 176.600 0.235 0.000 1.048 216 K CA 2.192 58.583 56.287 0.174 0.000 0.928 216 K CB -0.613 31.939 32.500 0.087 0.000 0.713 216 K HN 0.203 nan 8.250 nan 0.000 0.442 217 T N 1.236 115.889 114.554 0.164 0.000 2.701 217 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 217 T C 2.236 177.069 174.700 0.223 0.000 1.040 217 T CA 1.310 63.504 62.100 0.156 0.000 1.147 217 T CB -0.523 68.407 68.868 0.103 0.000 0.865 217 T HN 0.429 nan 8.240 nan 0.000 0.426 218 A N 0.891 123.879 122.820 0.280 0.000 2.032 218 A HA -0.068 4.252 4.320 -0.000 0.000 0.221 218 A C 1.974 179.899 177.584 0.569 0.000 1.165 218 A CA 1.372 53.634 52.037 0.376 0.000 0.645 218 A CB -0.904 18.340 19.000 0.408 0.000 0.807 218 A HN 0.505 nan 8.150 nan 0.000 0.453 219 F N 0.484 120.695 119.950 0.434 0.000 2.219 219 F HA 0.194 4.721 4.527 -0.000 0.000 0.294 219 F C 2.416 178.357 175.800 0.234 0.000 1.086 219 F CA 0.837 59.034 58.000 0.329 0.000 1.330 219 F CB -0.565 38.409 39.000 -0.044 0.000 1.047 219 F HN 0.209 nan 8.300 nan 0.000 0.495 220 A N 1.082 123.907 122.820 0.009 0.000 1.902 220 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 220 A C 2.350 179.898 177.584 -0.060 0.000 1.181 220 A CA 1.668 53.630 52.037 -0.124 0.000 0.623 220 A CB -1.214 17.794 19.000 0.013 0.000 0.818 220 A HN 0.491 nan 8.150 nan 0.000 0.443 221 L N -0.125 121.129 121.223 0.052 0.000 2.012 221 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 221 L C 2.309 179.208 176.870 0.050 0.000 1.073 221 L CA 1.849 56.725 54.840 0.060 0.000 0.748 221 L CB -0.783 41.339 42.059 0.105 0.000 0.891 221 L HN 0.558 nan 8.230 nan 0.000 0.431 222 N N -0.033 118.733 118.700 0.111 0.000 2.244 222 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 222 N C 1.900 177.393 175.510 -0.028 0.000 1.016 222 N CA 0.971 54.104 53.050 0.137 0.000 0.866 222 N CB 0.019 38.751 38.487 0.408 0.000 0.980 222 N HN 0.349 nan 8.380 nan 0.000 0.430 223 I N 1.686 122.180 120.570 -0.127 0.000 2.113 223 I HA -0.238 3.931 4.170 -0.000 0.000 0.238 223 I C 2.684 178.737 176.117 -0.107 0.000 1.070 223 I CA 0.871 62.063 61.300 -0.180 0.000 1.332 223 I CB -0.523 37.355 38.000 -0.203 0.000 1.044 223 I HN 0.073 nan 8.210 nan 0.000 0.402 224 A N 0.132 122.904 122.820 -0.080 0.000 1.903 224 A HA -0.348 3.972 4.320 -0.000 0.000 0.219 224 A C 2.326 179.885 177.584 -0.042 0.000 1.191 224 A CA 2.342 54.350 52.037 -0.049 0.000 0.638 224 A CB -0.937 18.044 19.000 -0.032 0.000 0.823 224 A HN 0.559 nan 8.150 nan 0.000 0.451 225 Q N -0.562 119.216 119.800 -0.036 0.000 2.050 225 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 225 Q C 1.975 177.944 176.000 -0.050 0.000 0.980 225 Q CA 1.908 57.692 55.803 -0.031 0.000 0.840 225 Q CB -0.214 28.521 28.738 -0.005 0.000 0.898 225 Q HN 0.848 nan 8.270 nan 0.000 0.424 226 N N -0.736 117.913 118.700 -0.085 0.000 2.120 226 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 226 N C 1.787 177.246 175.510 -0.085 0.000 1.024 226 N CA 1.485 54.466 53.050 -0.115 0.000 0.852 226 N CB 0.009 38.355 38.487 -0.234 0.000 1.003 226 N HN 0.014 nan 8.380 nan 0.000 0.424 227 V N 1.107 120.977 119.914 -0.072 0.000 2.343 227 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 227 V C 2.301 178.379 176.094 -0.028 0.000 1.051 227 V CA 1.978 64.255 62.300 -0.039 0.000 1.036 227 V CB -0.937 30.876 31.823 -0.018 0.000 0.654 227 V HN 0.381 nan 8.190 nan 0.000 0.451 228 A N 0.854 123.657 122.820 -0.030 0.000 1.855 228 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 228 A C 2.510 180.076 177.584 -0.029 0.000 1.191 228 A CA 2.542 54.563 52.037 -0.026 0.000 0.613 228 A CB -1.085 17.893 19.000 -0.036 0.000 0.829 228 A HN 0.614 nan 8.150 nan 0.000 0.442 229 T N -2.423 112.110 114.554 -0.034 0.000 2.904 229 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 229 T C 1.732 176.415 174.700 -0.028 0.000 1.059 229 T CA 1.594 63.675 62.100 -0.031 0.000 1.137 229 T CB -0.122 68.728 68.868 -0.030 0.000 0.879 229 T HN 0.482 nan 8.240 nan 0.000 0.467 230 K N -0.044 120.337 120.400 -0.033 0.000 2.308 230 K HA 0.178 4.498 4.320 -0.000 0.000 0.197 230 K C 2.377 178.963 176.600 -0.024 0.000 1.049 230 K CA 0.714 56.983 56.287 -0.031 0.000 0.991 230 K CB 0.157 32.631 32.500 -0.043 0.000 0.836 230 K HN 0.310 nan 8.250 nan 0.000 0.500 231 T N -0.245 114.296 114.554 -0.021 0.000 3.440 231 T HA 0.029 4.378 4.350 -0.000 0.000 0.209 231 T C 0.196 174.892 174.700 -0.007 0.000 0.906 231 T CA 0.699 62.791 62.100 -0.013 0.000 1.757 231 T CB 0.107 68.969 68.868 -0.009 0.000 1.568 231 T HN 0.122 nan 8.240 nan 0.000 0.454 232 N N 0.758 119.457 118.700 -0.001 0.000 3.866 232 N HA -0.013 4.727 4.740 -0.000 0.000 0.109 232 N C -1.654 173.864 175.510 0.014 0.000 0.818 232 N CA 0.019 53.072 53.050 0.005 0.000 3.335 232 N CB -0.613 37.877 38.487 0.004 0.000 1.201 232 N HN 0.455 nan 8.380 nan 0.000 0.816 233 E N 0.326 120.536 120.200 0.017 0.000 2.281 233 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 233 E C -0.988 175.637 176.600 0.042 0.000 0.893 233 E CA -0.562 55.854 56.400 0.026 0.000 0.798 233 E CB 0.551 30.262 29.700 0.019 0.000 1.245 233 E HN 0.164 nan 8.360 nan 0.000 0.410 234 N N 2.113 120.855 118.700 0.071 0.000 2.492 234 N HA 0.155 4.895 4.740 -0.000 0.000 0.262 234 N C -0.366 175.204 175.510 0.100 0.000 1.202 234 N CA -0.010 53.120 53.050 0.133 0.000 0.926 234 N CB 0.979 39.593 38.487 0.212 0.000 1.078 234 N HN 0.314 nan 8.380 nan 0.000 0.454 235 V N -1.437 118.543 119.914 0.110 0.000 2.581 235 V HA 0.895 5.015 4.120 -0.000 0.000 0.303 235 V C -0.097 176.053 176.094 0.094 0.000 1.041 235 V CA -1.239 61.100 62.300 0.066 0.000 0.907 235 V CB 1.378 33.212 31.823 0.019 0.000 0.994 235 V HN 0.672 nan 8.190 nan 0.000 0.442 236 A N 5.786 128.625 122.820 0.032 0.000 2.287 236 A HA 0.873 5.193 4.320 -0.000 0.000 0.317 236 A C -0.521 177.010 177.584 -0.090 0.000 1.220 236 A CA -0.635 51.374 52.037 -0.046 0.000 0.835 236 A CB 0.385 19.341 19.000 -0.075 0.000 1.180 236 A HN 0.911 nan 8.150 nan 0.000 0.500 237 I N 2.047 122.516 120.570 -0.169 0.000 2.378 237 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 237 I C -1.238 174.726 176.117 -0.256 0.000 0.992 237 I CA -0.304 60.932 61.300 -0.106 0.000 1.154 237 I CB 1.606 39.586 38.000 -0.034 0.000 1.315 237 I HN 0.550 nan 8.210 nan 0.000 0.448 238 F N 3.825 123.793 119.950 0.030 0.000 2.361 238 F HA 0.246 4.773 4.527 -0.000 0.000 0.364 238 F C 0.855 176.680 175.800 0.042 0.000 1.117 238 F CA -0.523 57.495 58.000 0.030 0.000 1.071 238 F CB 1.674 40.684 39.000 0.017 0.000 1.188 238 F HN 0.434 nan 8.300 nan 0.000 0.464 239 S N 4.193 119.996 115.700 0.173 0.000 2.438 239 S HA 0.240 4.710 4.470 -0.000 0.000 0.227 239 S C 1.268 175.951 174.600 0.140 0.000 1.265 239 S CA -0.499 57.786 58.200 0.141 0.000 1.265 239 S CB -0.570 62.685 63.200 0.092 0.000 0.987 239 S HN 0.693 nan 8.310 nan 0.000 0.502 240 L N 0.081 121.394 121.223 0.149 0.000 2.113 240 L HA -0.285 4.055 4.340 -0.000 0.000 0.221 240 L C 2.731 179.662 176.870 0.102 0.000 1.084 240 L CA 2.381 57.282 54.840 0.102 0.000 0.787 240 L CB -0.787 41.298 42.059 0.043 0.000 0.893 240 L HN 0.614 nan 8.230 nan 0.000 0.440 241 E N 0.644 120.939 120.200 0.159 0.000 2.012 241 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 241 E C 1.139 177.809 176.600 0.117 0.000 0.977 241 E CA 0.389 56.893 56.400 0.173 0.000 0.832 241 E CB 0.028 29.901 29.700 0.289 0.000 0.790 241 E HN 0.398 nan 8.360 nan 0.000 0.466 242 M N 1.514 121.180 119.600 0.109 0.000 2.233 242 M HA 0.215 4.695 4.480 -0.000 0.000 0.350 242 M C 0.199 176.537 176.300 0.064 0.000 1.176 242 M CA -0.562 54.784 55.300 0.077 0.000 1.150 242 M CB 1.271 33.912 32.600 0.069 0.000 1.530 242 M HN -0.040 nan 8.290 nan 0.000 0.459 243 S N 2.827 118.557 115.700 0.049 0.000 2.572 243 S HA 0.317 4.787 4.470 -0.000 0.000 0.267 243 S C 1.155 175.775 174.600 0.034 0.000 1.361 243 S CA -0.301 57.923 58.200 0.040 0.000 1.009 243 S CB 0.779 63.998 63.200 0.031 0.000 0.888 243 S HN 0.918 nan 8.310 nan 0.000 0.553 244 A N 1.066 123.902 122.820 0.027 0.000 1.933 244 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 244 A C 2.210 179.801 177.584 0.012 0.000 1.175 244 A CA 1.618 53.665 52.037 0.017 0.000 0.628 244 A CB -0.825 18.182 19.000 0.010 0.000 0.814 244 A HN 0.874 nan 8.150 nan 0.000 0.444 245 Q N -1.382 118.425 119.800 0.012 0.000 2.376 245 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 245 Q C 2.052 178.058 176.000 0.010 0.000 0.921 245 Q CA 0.803 56.611 55.803 0.008 0.000 0.911 245 Q CB 0.041 28.783 28.738 0.006 0.000 1.032 245 Q HN 0.813 nan 8.270 nan 0.000 0.510 246 Q N 0.535 120.345 119.800 0.016 0.000 2.369 246 Q HA -0.101 4.239 4.340 -0.000 0.000 0.206 246 Q C 1.745 177.759 176.000 0.024 0.000 0.963 246 Q CA 0.631 56.445 55.803 0.018 0.000 0.894 246 Q CB 0.170 28.922 28.738 0.023 0.000 0.965 246 Q HN 0.469 nan 8.270 nan 0.000 0.475 247 L N -0.410 120.829 121.223 0.026 0.000 2.162 247 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 247 L C 2.052 178.936 176.870 0.023 0.000 1.086 247 L CA 0.476 55.334 54.840 0.031 0.000 0.778 247 L CB -0.019 42.059 42.059 0.032 0.000 0.928 247 L HN 0.029 nan 8.230 nan 0.000 0.446 248 V N 0.723 120.644 119.914 0.011 0.000 2.255 248 V HA -0.360 3.760 4.120 -0.000 0.000 0.247 248 V C 2.548 178.647 176.094 0.007 0.000 1.051 248 V CA 2.569 64.872 62.300 0.004 0.000 1.018 248 V CB -0.655 31.165 31.823 -0.005 0.000 0.641 248 V HN 0.492 nan 8.190 nan 0.000 0.445 249 M N -0.438 119.166 119.600 0.006 0.000 2.108 249 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 249 M C 2.313 178.622 176.300 0.015 0.000 1.066 249 M CA 1.894 57.196 55.300 0.004 0.000 1.107 249 M CB -0.734 31.864 32.600 -0.005 0.000 1.356 249 M HN 0.094 nan 8.290 nan 0.000 0.406 250 R N 0.882 121.397 120.500 0.025 0.000 2.241 250 R HA -0.085 4.255 4.340 -0.000 0.000 0.224 250 R C 1.956 178.288 176.300 0.053 0.000 1.101 250 R CA 1.434 57.559 56.100 0.042 0.000 0.995 250 R CB -0.295 30.038 30.300 0.055 0.000 0.870 250 R HN 0.622 nan 8.270 nan 0.000 0.463 251 M N -2.754 116.870 119.600 0.040 0.000 2.306 251 M HA 0.185 4.665 4.480 -0.000 0.000 0.292 251 M C 1.036 177.352 176.300 0.026 0.000 1.018 251 M CA 0.531 55.855 55.300 0.040 0.000 1.007 251 M CB 0.505 33.126 32.600 0.035 0.000 1.510 251 M HN -0.055 nan 8.290 nan 0.000 0.537 252 L N 0.231 121.466 121.223 0.020 0.000 2.127 252 L HA -0.042 4.298 4.340 -0.000 0.000 0.203 252 L C 2.370 179.256 176.870 0.028 0.000 1.080 252 L CA 0.876 55.725 54.840 0.015 0.000 0.768 252 L CB -0.340 41.723 42.059 0.006 0.000 0.924 252 L HN 0.541 nan 8.230 nan 0.000 0.444 253 C N -0.123 119.199 119.300 0.037 0.000 2.413 253 C HA -0.192 4.268 4.460 -0.000 0.000 0.276 253 C C 3.062 178.113 174.990 0.101 0.000 1.236 253 C CA 0.807 59.867 59.018 0.070 0.000 1.735 253 C CB -1.139 26.629 27.740 0.046 0.000 2.031 253 C HN 0.625 nan 8.230 nan 0.000 0.474 254 A N -0.199 122.664 122.820 0.072 0.000 2.084 254 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 254 A C 1.632 179.233 177.584 0.029 0.000 1.161 254 A CA 1.996 54.074 52.037 0.067 0.000 0.653 254 A CB -0.338 18.711 19.000 0.083 0.000 0.802 254 A HN 0.771 nan 8.150 nan 0.000 0.457 255 E N -1.515 118.695 120.200 0.017 0.000 3.281 255 E HA 0.407 4.757 4.350 -0.000 0.000 0.467 255 E C 1.522 178.094 176.600 -0.046 0.000 0.293 255 E CA 0.238 56.629 56.400 -0.015 0.000 2.729 255 E CB -0.287 29.409 29.700 -0.006 0.000 2.276 255 E HN 0.208 nan 8.360 nan 0.000 0.424 256 G N 1.055 109.837 108.800 -0.030 0.000 4.241 256 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.204 256 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.204 256 G C -0.241 174.605 174.900 -0.089 0.000 1.153 256 G CA 1.121 46.196 45.100 -0.042 0.000 0.706 256 G HN 0.583 nan 8.290 nan 0.000 0.723 257 N N -1.200 117.373 118.700 -0.210 0.000 2.666 257 N HA -0.165 4.575 4.740 -0.000 0.000 0.274 257 N C -0.133 175.482 175.510 0.175 0.000 1.043 257 N CA 1.165 53.825 53.050 -0.650 0.000 0.782 257 N CB -0.916 36.899 38.487 -1.119 0.000 0.912 257 N HN 0.612 nan 8.380 nan 0.000 0.556 258 I N -0.005 120.821 120.570 0.427 0.000 2.474 258 I HA 0.512 4.682 4.170 -0.000 0.000 0.294 258 I C 0.430 176.638 176.117 0.151 0.000 1.005 258 I CA -1.001 60.477 61.300 0.295 0.000 1.113 258 I CB 2.013 40.069 38.000 0.094 0.000 1.289 258 I HN 0.321 nan 8.210 nan 0.000 0.436 259 N N 4.583 123.257 118.700 -0.043 0.000 4.065 259 N HA -0.031 4.709 4.740 -0.000 0.000 0.260 259 N C -0.874 174.468 175.510 -0.279 0.000 1.920 259 N CA 0.666 53.622 53.050 -0.156 0.000 2.266 259 N CB -0.563 37.859 38.487 -0.108 0.000 0.808 259 N HN 0.872 nan 8.380 nan 0.000 0.530 260 A N 3.319 126.017 122.820 -0.203 0.000 2.150 260 A HA 0.213 4.533 4.320 -0.000 0.000 0.191 260 A C 1.358 178.872 177.584 -0.118 0.000 1.591 260 A CA 0.712 52.645 52.037 -0.174 0.000 1.142 260 A CB -0.064 18.830 19.000 -0.177 0.000 1.326 260 A HN 0.463 nan 8.150 nan 0.000 0.470 261 Q N 0.470 120.205 119.800 -0.107 0.000 2.291 261 Q HA -0.053 4.287 4.340 -0.000 0.000 0.206 261 Q C 0.540 176.488 176.000 -0.087 0.000 0.976 261 Q CA 1.370 57.121 55.803 -0.087 0.000 0.875 261 Q CB 0.068 28.759 28.738 -0.079 0.000 0.927 261 Q HN 0.648 nan 8.270 nan 0.000 0.450 262 N N -1.706 116.937 118.700 -0.095 0.000 2.357 262 N HA 0.070 4.810 4.740 -0.000 0.000 0.284 262 N C 0.044 175.486 175.510 -0.113 0.000 1.236 262 N CA -0.419 52.569 53.050 -0.102 0.000 0.774 262 N CB 0.933 39.367 38.487 -0.088 0.000 1.534 262 N HN -0.125 nan 8.380 nan 0.000 0.478 263 L N 2.361 123.514 121.223 -0.116 0.000 2.021 263 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 263 L C 2.308 179.121 176.870 -0.094 0.000 1.074 263 L CA 1.816 56.582 54.840 -0.122 0.000 0.760 263 L CB -0.691 41.310 42.059 -0.097 0.000 0.889 263 L HN 0.625 nan 8.230 nan 0.000 0.433 264 R N -1.415 119.042 120.500 -0.071 0.000 2.088 264 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 264 R C 1.461 177.730 176.300 -0.052 0.000 1.136 264 R CA 1.666 57.734 56.100 -0.053 0.000 0.926 264 R CB -1.049 29.226 30.300 -0.042 0.000 0.837 264 R HN 0.273 nan 8.270 nan 0.000 0.429 265 T N 0.478 114.999 114.554 -0.056 0.000 4.492 265 T HA 0.208 4.558 4.350 -0.000 0.000 0.222 265 T C 0.906 175.573 174.700 -0.054 0.000 0.836 265 T CA 0.456 62.527 62.100 -0.048 0.000 0.900 265 T CB -1.044 67.798 68.868 -0.044 0.000 1.399 265 T HN 0.544 nan 8.240 nan 0.000 0.877 266 G N 2.976 111.741 108.800 -0.058 0.000 2.620 266 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.315 266 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.315 266 G C -0.104 174.741 174.900 -0.092 0.000 1.179 266 G CA 0.400 45.465 45.100 -0.058 0.000 0.971 266 G HN 0.712 nan 8.290 nan 0.000 0.544 267 K N 0.710 121.070 120.400 -0.067 0.000 2.295 267 K HA 0.708 5.028 4.320 -0.000 0.000 0.270 267 K C 0.425 176.952 176.600 -0.122 0.000 1.011 267 K CA 0.065 56.306 56.287 -0.076 0.000 0.953 267 K CB 0.669 33.166 32.500 -0.004 0.000 0.956 267 K HN 0.504 nan 8.250 nan 0.000 0.477 268 L N 0.249 121.360 121.223 -0.188 0.000 2.256 268 L HA 0.567 4.907 4.340 -0.000 0.000 0.261 268 L C 0.213 177.037 176.870 -0.076 0.000 1.022 268 L CA -1.140 53.568 54.840 -0.221 0.000 0.828 268 L CB 1.911 43.675 42.059 -0.492 0.000 1.374 268 L HN 0.687 nan 8.230 nan 0.000 0.436 269 T N -3.224 111.310 114.554 -0.034 0.000 2.902 269 T HA 0.309 4.659 4.350 -0.000 0.000 0.280 269 T C -1.988 172.803 174.700 0.151 0.000 0.992 269 T CA -1.791 60.344 62.100 0.059 0.000 1.015 269 T CB 1.206 70.095 68.868 0.034 0.000 1.044 269 T HN 0.428 nan 8.240 nan 0.000 0.520 270 P HA -0.030 nan 4.420 nan 0.000 0.223 270 P C 1.302 178.698 177.300 0.160 0.000 1.144 270 P CA 1.443 64.665 63.100 0.203 0.000 0.783 270 P CB -0.246 31.524 31.700 0.116 0.000 0.771 271 E N 0.793 121.058 120.200 0.108 0.000 2.122 271 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 271 E C 1.689 178.338 176.600 0.082 0.000 0.977 271 E CA 1.134 57.583 56.400 0.082 0.000 0.820 271 E CB -1.179 28.554 29.700 0.056 0.000 0.770 271 E HN 0.252 nan 8.360 nan 0.000 0.462 272 D N -0.720 119.713 120.400 0.055 0.000 2.097 272 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 272 D C 1.823 178.139 176.300 0.025 0.000 0.984 272 D CA 0.829 54.827 54.000 -0.004 0.000 0.826 272 D CB -0.412 40.320 40.800 -0.113 0.000 0.973 272 D HN 0.659 nan 8.370 nan 0.000 0.460 273 W N 1.454 122.761 121.300 0.011 0.000 2.311 273 W HA -0.119 4.540 4.660 -0.000 0.000 0.326 273 W C 2.392 178.915 176.519 0.006 0.000 1.239 273 W CA 1.323 58.673 57.345 0.007 0.000 1.258 273 W CB -0.606 28.856 29.460 0.004 0.000 1.165 273 W HN 0.025 nan 8.180 nan 0.000 0.466 274 G N -0.419 108.556 108.800 0.291 0.000 2.843 274 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.205 274 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.205 274 G C 1.102 176.068 174.900 0.111 0.000 1.160 274 G CA 0.722 45.916 45.100 0.156 0.000 0.819 274 G HN 0.225 nan 8.290 nan 0.000 0.516 275 K N -1.314 119.156 120.400 0.117 0.000 2.418 275 K HA 0.250 4.570 4.320 -0.000 0.000 0.208 275 K C 2.057 178.693 176.600 0.060 0.000 1.261 275 K CA -0.434 55.894 56.287 0.068 0.000 0.874 275 K CB -0.125 32.409 32.500 0.056 0.000 1.451 275 K HN 0.091 nan 8.250 nan 0.000 0.466 276 L N 1.975 123.237 121.223 0.064 0.000 2.034 276 L HA -0.264 4.076 4.340 -0.000 0.000 0.217 276 L C 2.324 179.241 176.870 0.078 0.000 1.077 276 L CA 2.416 57.288 54.840 0.054 0.000 0.769 276 L CB -0.913 41.165 42.059 0.031 0.000 0.890 276 L HN 0.367 nan 8.230 nan 0.000 0.435 277 T N -1.500 113.126 114.554 0.120 0.000 2.699 277 T HA -0.280 4.069 4.350 -0.000 0.000 0.268 277 T C 1.830 176.563 174.700 0.054 0.000 1.036 277 T CA 2.233 64.391 62.100 0.098 0.000 1.147 277 T CB -0.129 68.800 68.868 0.102 0.000 0.862 277 T HN 0.397 nan 8.240 nan 0.000 0.446 278 M N 0.346 119.973 119.600 0.045 0.000 2.236 278 M HA 0.154 4.634 4.480 -0.000 0.000 0.266 278 M C 2.878 179.188 176.300 0.016 0.000 1.070 278 M CA 1.365 56.679 55.300 0.024 0.000 1.137 278 M CB -0.609 32.002 32.600 0.018 0.000 1.378 278 M HN 0.392 nan 8.290 nan 0.000 0.426 279 A N 0.837 123.668 122.820 0.019 0.000 1.877 279 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 279 A C 2.216 179.806 177.584 0.009 0.000 1.186 279 A CA 1.577 53.620 52.037 0.010 0.000 0.620 279 A CB -0.659 18.348 19.000 0.012 0.000 0.822 279 A HN 0.415 nan 8.150 nan 0.000 0.443 280 M N -0.668 118.944 119.600 0.019 0.000 2.080 280 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 280 M C 2.324 178.629 176.300 0.007 0.000 1.068 280 M CA 1.644 56.953 55.300 0.016 0.000 1.109 280 M CB -0.675 31.946 32.600 0.034 0.000 1.342 280 M HN 0.546 nan 8.290 nan 0.000 0.405 281 G N -0.214 108.593 108.800 0.012 0.000 2.446 281 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 281 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 281 G C 1.586 176.483 174.900 -0.005 0.000 1.168 281 G CA 1.409 46.511 45.100 0.004 0.000 0.771 281 G HN 0.582 nan 8.290 nan 0.000 0.551 282 S N 0.036 115.732 115.700 -0.005 0.000 2.406 282 S HA 0.075 4.545 4.470 -0.000 0.000 0.228 282 S C 2.182 176.770 174.600 -0.019 0.000 1.020 282 S CA 1.038 59.231 58.200 -0.012 0.000 0.965 282 S CB -0.210 62.984 63.200 -0.011 0.000 0.798 282 S HN 0.138 nan 8.310 nan 0.000 0.488 283 L N 1.537 122.749 121.223 -0.018 0.000 2.418 283 L HA 0.281 4.621 4.340 -0.000 0.000 0.218 283 L C 2.556 179.403 176.870 -0.040 0.000 1.125 283 L CA 0.781 55.604 54.840 -0.028 0.000 0.835 283 L CB -0.580 41.466 42.059 -0.022 0.000 0.953 283 L HN 0.386 nan 8.230 nan 0.000 0.454 284 S N -0.125 115.556 115.700 -0.031 0.000 2.382 284 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 284 S C 1.579 176.150 174.600 -0.048 0.000 1.027 284 S CA 1.490 59.669 58.200 -0.036 0.000 0.991 284 S CB -0.213 62.975 63.200 -0.021 0.000 0.823 284 S HN 0.615 nan 8.310 nan 0.000 0.469 285 N N 1.187 119.863 118.700 -0.040 0.000 2.336 285 N HA 0.223 4.963 4.740 -0.000 0.000 0.189 285 N C 0.370 175.850 175.510 -0.050 0.000 1.113 285 N CA 0.314 53.340 53.050 -0.040 0.000 0.858 285 N CB 0.040 38.512 38.487 -0.025 0.000 0.970 285 N HN 0.370 nan 8.380 nan 0.000 0.471 286 A N 0.400 123.183 122.820 -0.062 0.000 2.366 286 A HA 0.489 4.809 4.320 -0.000 0.000 0.250 286 A C 1.165 178.685 177.584 -0.107 0.000 1.099 286 A CA 0.132 52.128 52.037 -0.069 0.000 0.794 286 A CB 0.073 19.034 19.000 -0.066 0.000 1.056 286 A HN 0.207 nan 8.150 nan 0.000 0.499 287 G N 0.225 108.974 108.800 -0.087 0.000 4.084 287 G HA2 0.471 4.431 3.960 -0.000 0.000 0.293 287 G HA3 0.471 4.431 3.960 -0.000 0.000 0.293 287 G C -0.145 174.673 174.900 -0.138 0.000 1.303 287 G CA -0.230 44.812 45.100 -0.097 0.000 1.289 287 G HN 0.527 nan 8.290 nan 0.000 0.609 288 I N 0.649 121.072 120.570 -0.245 0.000 2.365 288 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 288 I C -0.758 175.117 176.117 -0.403 0.000 1.004 288 I CA -0.779 60.404 61.300 -0.195 0.000 1.311 288 I CB 1.117 39.039 38.000 -0.130 0.000 1.401 288 I HN 0.105 nan 8.210 nan 0.000 0.491 289 Y N 6.363 126.613 120.300 -0.083 0.000 2.331 289 Y HA 0.576 5.126 4.550 -0.000 0.000 0.334 289 Y C -0.155 175.651 175.900 -0.158 0.000 0.960 289 Y CA -0.670 57.365 58.100 -0.108 0.000 1.130 289 Y CB 1.331 39.722 38.460 -0.115 0.000 1.164 289 Y HN 0.305 nan 8.280 nan 0.000 0.458 290 I N 2.905 123.463 120.570 -0.020 0.000 2.441 290 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 290 I C -0.963 175.093 176.117 -0.101 0.000 0.994 290 I CA -0.577 60.676 61.300 -0.078 0.000 1.144 290 I CB 1.856 39.829 38.000 -0.045 0.000 1.314 290 I HN 0.548 nan 8.210 nan 0.000 0.445 291 D N 4.332 124.626 120.400 -0.176 0.000 2.549 291 D HA 0.219 4.859 4.640 -0.000 0.000 0.251 291 D C -0.220 176.086 176.300 0.011 0.000 1.153 291 D CA -0.487 53.450 54.000 -0.105 0.000 0.861 291 D CB 1.248 41.930 40.800 -0.197 0.000 1.207 291 D HN 0.555 nan 8.370 nan 0.000 0.543 292 D N 1.848 122.272 120.400 0.040 0.000 2.395 292 D HA 0.016 4.656 4.640 -0.000 0.000 0.213 292 D C -0.209 176.136 176.300 0.076 0.000 1.110 292 D CA -0.184 53.855 54.000 0.065 0.000 0.835 292 D CB -0.396 40.431 40.800 0.045 0.000 0.965 292 D HN 0.238 nan 8.370 nan 0.000 0.505 293 T N 3.659 118.265 114.554 0.087 0.000 2.750 293 T HA -0.015 4.335 4.350 -0.000 0.000 0.277 293 T C -1.368 173.372 174.700 0.066 0.000 0.996 293 T CA -0.654 61.491 62.100 0.076 0.000 1.195 293 T CB 0.862 69.783 68.868 0.089 0.000 0.963 293 T HN 0.025 nan 8.240 nan 0.000 0.516 294 P HA -0.200 nan 4.420 nan 0.000 0.216 294 P C 0.394 177.707 177.300 0.023 0.000 1.062 294 P CA 1.584 64.704 63.100 0.033 0.000 0.995 294 P CB -0.006 31.707 31.700 0.022 0.000 0.762 295 S N -1.407 114.298 115.700 0.009 0.000 2.706 295 S HA 0.603 5.073 4.470 -0.000 0.000 0.270 295 S C -0.293 174.295 174.600 -0.020 0.000 1.163 295 S CA -0.956 57.234 58.200 -0.017 0.000 1.042 295 S CB 0.122 63.301 63.200 -0.035 0.000 1.079 295 S HN 0.240 nan 8.310 nan 0.000 0.474 296 I N 0.196 120.749 120.570 -0.028 0.000 2.562 296 I HA 0.711 4.881 4.170 -0.000 0.000 0.301 296 I C 0.089 176.161 176.117 -0.074 0.000 1.003 296 I CA -1.468 59.810 61.300 -0.036 0.000 1.127 296 I CB 1.654 39.646 38.000 -0.014 0.000 1.304 296 I HN 0.674 nan 8.210 nan 0.000 0.446 297 R N 3.534 123.996 120.500 -0.064 0.000 2.679 297 R HA 0.310 4.650 4.340 -0.000 0.000 0.269 297 R C 0.568 176.804 176.300 -0.107 0.000 1.076 297 R CA -0.824 55.231 56.100 -0.075 0.000 1.160 297 R CB 0.534 30.803 30.300 -0.051 0.000 1.054 297 R HN 0.564 nan 8.270 nan 0.000 0.507 298 V N 1.307 121.156 119.914 -0.108 0.000 2.255 298 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 298 V C 2.558 178.583 176.094 -0.114 0.000 1.051 298 V CA 2.574 64.795 62.300 -0.131 0.000 1.018 298 V CB -0.930 30.832 31.823 -0.100 0.000 0.641 298 V HN 1.056 nan 8.190 nan 0.000 0.445 299 S N -0.145 115.510 115.700 -0.075 0.000 2.423 299 S HA -0.316 4.154 4.470 -0.000 0.000 0.238 299 S C 1.581 176.152 174.600 -0.048 0.000 1.028 299 S CA 1.996 60.164 58.200 -0.053 0.000 1.000 299 S CB -0.582 62.595 63.200 -0.037 0.000 0.797 299 S HN 0.666 nan 8.310 nan 0.000 0.487 300 D N 1.259 121.625 120.400 -0.058 0.000 2.183 300 D HA 0.197 4.837 4.640 -0.000 0.000 0.205 300 D C 1.977 178.257 176.300 -0.034 0.000 0.962 300 D CA 0.699 54.681 54.000 -0.029 0.000 0.849 300 D CB -0.202 40.590 40.800 -0.013 0.000 0.978 300 D HN 0.434 nan 8.370 nan 0.000 0.488 301 I N 1.080 121.541 120.570 -0.181 0.000 2.163 301 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 301 I C 2.673 178.735 176.117 -0.092 0.000 1.085 301 I CA 0.975 62.041 61.300 -0.389 0.000 1.347 301 I CB -0.194 37.383 38.000 -0.706 0.000 1.044 301 I HN -0.076 nan 8.210 nan 0.000 0.408 302 R N 1.312 121.760 120.500 -0.087 0.000 2.092 302 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 302 R C 2.314 178.615 176.300 0.002 0.000 1.119 302 R CA 1.512 57.592 56.100 -0.033 0.000 0.970 302 R CB -0.176 30.096 30.300 -0.046 0.000 0.864 302 R HN 0.340 nan 8.270 nan 0.000 0.440 303 A N 1.119 123.942 122.820 0.006 0.000 1.897 303 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 303 A C 1.952 179.556 177.584 0.033 0.000 1.181 303 A CA 1.316 53.362 52.037 0.014 0.000 0.620 303 A CB -0.222 18.784 19.000 0.010 0.000 0.821 303 A HN 0.321 nan 8.150 nan 0.000 0.443 304 K N -0.815 119.631 120.400 0.077 0.000 2.057 304 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 304 K C 2.056 178.692 176.600 0.061 0.000 1.050 304 K CA 1.347 57.686 56.287 0.087 0.000 0.935 304 K CB -0.411 32.192 32.500 0.172 0.000 0.715 304 K HN 0.532 nan 8.250 nan 0.000 0.439 305 C N 0.626 119.998 119.300 0.119 0.000 2.425 305 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 305 C C 2.660 177.655 174.990 0.008 0.000 1.280 305 C CA 0.482 59.543 59.018 0.072 0.000 1.744 305 C CB -0.727 27.086 27.740 0.122 0.000 1.989 305 C HN 0.462 nan 8.230 nan 0.000 0.491 306 R N 0.653 121.159 120.500 0.010 0.000 2.091 306 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 306 R C 2.370 178.657 176.300 -0.022 0.000 1.136 306 R CA 1.456 57.552 56.100 -0.007 0.000 0.959 306 R CB -0.197 30.101 30.300 -0.005 0.000 0.856 306 R HN 0.522 nan 8.270 nan 0.000 0.437 307 R N -0.145 120.340 120.500 -0.026 0.000 2.115 307 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 307 R C 2.226 178.483 176.300 -0.071 0.000 1.100 307 R CA 0.833 56.910 56.100 -0.039 0.000 0.980 307 R CB -0.206 30.075 30.300 -0.033 0.000 0.875 307 R HN 0.175 nan 8.270 nan 0.000 0.445 308 L N 1.372 122.534 121.223 -0.103 0.000 2.217 308 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 308 L C 2.143 178.934 176.870 -0.132 0.000 1.107 308 L CA 1.639 56.371 54.840 -0.179 0.000 0.783 308 L CB -0.180 41.712 42.059 -0.279 0.000 0.919 308 L HN -0.041 nan 8.230 nan 0.000 0.442 309 K N -0.711 119.641 120.400 -0.080 0.000 2.057 309 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 309 K C 1.917 178.493 176.600 -0.041 0.000 1.049 309 K CA 1.846 58.102 56.287 -0.051 0.000 0.931 309 K CB 0.007 32.489 32.500 -0.031 0.000 0.714 309 K HN 0.508 nan 8.250 nan 0.000 0.440 310 Q N -0.591 119.186 119.800 -0.039 0.000 2.389 310 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 310 Q C 1.488 177.471 176.000 -0.029 0.000 0.944 310 Q CA 0.751 56.537 55.803 -0.028 0.000 0.908 310 Q CB 0.397 29.121 28.738 -0.023 0.000 1.002 310 Q HN 0.349 nan 8.270 nan 0.000 0.493 311 E N -0.827 119.346 120.200 -0.044 0.000 2.290 311 E HA 0.061 4.411 4.350 -0.000 0.000 0.197 311 E C 1.017 177.597 176.600 -0.033 0.000 0.948 311 E CA 0.488 56.865 56.400 -0.039 0.000 0.895 311 E CB 0.531 30.201 29.700 -0.050 0.000 0.865 311 E HN 0.071 nan 8.360 nan 0.000 0.486 312 S N -1.987 113.684 115.700 -0.049 0.000 3.019 312 S HA 0.376 4.846 4.470 -0.000 0.000 0.258 312 S C 0.672 175.269 174.600 -0.006 0.000 1.082 312 S CA 0.187 58.376 58.200 -0.019 0.000 0.836 312 S CB 1.688 64.878 63.200 -0.016 0.000 0.834 312 S HN 0.389 nan 8.310 nan 0.000 0.457 313 G N 0.464 109.248 108.800 -0.027 0.000 3.118 313 G HA2 0.241 4.201 3.960 -0.000 0.000 0.105 313 G HA3 0.241 4.201 3.960 -0.000 0.000 0.105 313 G C -0.743 174.149 174.900 -0.014 0.000 1.918 313 G CA -0.125 44.970 45.100 -0.008 0.000 1.038 313 G HN 0.487 nan 8.290 nan 0.000 0.293 314 L N 0.248 121.468 121.223 -0.005 0.000 0.589 314 L HA 0.019 4.359 4.340 -0.000 0.000 0.356 314 L C 0.943 177.819 176.870 0.009 0.000 1.004 314 L CA 1.020 55.858 54.840 -0.003 0.000 1.223 314 L CB -0.626 41.418 42.059 -0.025 0.000 0.059 314 L HN 1.585 nan 8.230 nan 0.000 0.097 315 G N 3.816 112.625 108.800 0.015 0.000 2.529 315 G HA2 0.338 4.298 3.960 -0.000 0.000 0.174 315 G HA3 0.338 4.298 3.960 -0.000 0.000 0.174 315 G C -0.067 174.840 174.900 0.011 0.000 1.373 315 G CA 0.171 45.281 45.100 0.016 0.000 0.820 315 G HN 0.316 nan 8.290 nan 0.000 0.962 316 M N 1.048 120.653 119.600 0.007 0.000 2.433 316 M HA 0.512 4.992 4.480 -0.000 0.000 0.290 316 M C -1.800 174.504 176.300 0.006 0.000 1.173 316 M CA -0.463 54.830 55.300 -0.011 0.000 0.905 316 M CB 3.136 35.718 32.600 -0.030 0.000 1.692 316 M HN -0.110 nan 8.290 nan 0.000 0.462 317 I N 2.834 123.408 120.570 0.007 0.000 2.389 317 I HA 0.422 4.592 4.170 -0.000 0.000 0.288 317 I C -0.715 175.427 176.117 0.042 0.000 0.999 317 I CA -0.837 60.504 61.300 0.069 0.000 1.129 317 I CB 1.771 39.836 38.000 0.108 0.000 1.288 317 I HN 0.267 nan 8.210 nan 0.000 0.444 318 V N 7.713 127.673 119.914 0.076 0.000 2.284 318 V HA 0.395 4.515 4.120 -0.000 0.000 0.274 318 V C 0.138 176.323 176.094 0.151 0.000 1.023 318 V CA -0.382 61.948 62.300 0.050 0.000 0.808 318 V CB 1.035 32.859 31.823 0.001 0.000 1.035 318 V HN 0.496 nan 8.190 nan 0.000 0.445 319 I N 3.249 123.905 120.570 0.142 0.000 2.371 319 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 319 I C 0.256 176.459 176.117 0.144 0.000 1.028 319 I CA -0.183 61.221 61.300 0.174 0.000 1.345 319 I CB 1.065 39.086 38.000 0.034 0.000 1.407 319 I HN 0.440 nan 8.210 nan 0.000 0.501 320 D N 5.072 125.583 120.400 0.185 0.000 2.313 320 D HA 0.109 4.749 4.640 -0.000 0.000 0.247 320 D C -0.442 175.987 176.300 0.215 0.000 1.094 320 D CA -0.126 53.996 54.000 0.205 0.000 0.925 320 D CB 0.587 41.514 40.800 0.212 0.000 1.188 320 D HN 0.345 nan 8.370 nan 0.000 0.430 321 Y N 1.558 121.888 120.300 0.050 0.000 3.083 321 Y HA -0.120 4.430 4.550 -0.000 0.000 0.350 321 Y C 1.270 177.179 175.900 0.015 0.000 1.266 321 Y CA -0.480 57.641 58.100 0.034 0.000 1.594 321 Y CB 0.197 38.681 38.460 0.041 0.000 1.179 321 Y HN 0.444 nan 8.280 nan 0.000 0.602 322 L N 2.347 123.601 121.223 0.053 0.000 1.971 322 L HA -0.321 4.019 4.340 -0.000 0.000 0.215 322 L C 2.203 179.008 176.870 -0.108 0.000 1.072 322 L CA 1.787 56.608 54.840 -0.032 0.000 0.758 322 L CB -0.349 41.718 42.059 0.013 0.000 0.889 322 L HN 0.852 nan 8.230 nan 0.000 0.433 323 Q N -0.502 119.250 119.800 -0.080 0.000 2.458 323 Q HA -0.214 4.126 4.340 -0.000 0.000 0.215 323 Q C 1.717 177.568 176.000 -0.248 0.000 0.989 323 Q CA 1.153 56.894 55.803 -0.103 0.000 0.895 323 Q CB -0.449 28.306 28.738 0.029 0.000 0.934 323 Q HN 0.506 nan 8.270 nan 0.000 0.475 324 L N -0.189 120.768 121.223 -0.444 0.000 2.766 324 L HA 0.354 4.694 4.340 -0.000 0.000 0.242 324 L C 0.479 177.199 176.870 -0.250 0.000 1.136 324 L CA -0.234 54.333 54.840 -0.455 0.000 0.933 324 L CB 0.280 41.816 42.059 -0.872 0.000 1.241 324 L HN 0.150 nan 8.230 nan 0.000 0.522 325 I N 0.763 121.218 120.570 -0.191 0.000 2.764 325 I HA 0.117 4.287 4.170 -0.000 0.000 0.294 325 I C -0.147 175.908 176.117 -0.104 0.000 1.045 325 I CA -0.221 60.999 61.300 -0.132 0.000 1.340 325 I CB 1.212 39.135 38.000 -0.129 0.000 1.436 325 I HN 0.307 nan 8.210 nan 0.000 0.567 339 V N 2.123 122.025 119.914 -0.019 0.000 2.548 339 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 339 V C 2.236 178.319 176.094 -0.019 0.000 1.055 339 V CA 2.736 65.023 62.300 -0.021 0.000 1.065 339 V CB -0.174 31.640 31.823 -0.014 0.000 0.681 339 V HN 0.431 nan 8.190 nan 0.000 0.462 340 S N -0.435 115.257 115.700 -0.014 0.000 2.383 340 S HA -0.255 4.215 4.470 -0.000 0.000 0.229 340 S C 1.817 176.406 174.600 -0.018 0.000 1.030 340 S CA 1.788 59.981 58.200 -0.013 0.000 1.002 340 S CB -0.679 62.516 63.200 -0.009 0.000 0.829 340 S HN 0.791 nan 8.310 nan 0.000 0.467 341 E N 0.779 120.967 120.200 -0.020 0.000 2.204 341 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 341 E C 1.924 178.506 176.600 -0.031 0.000 0.989 341 E CA 1.071 57.456 56.400 -0.024 0.000 0.824 341 E CB -0.268 29.418 29.700 -0.023 0.000 0.756 341 E HN 0.613 nan 8.360 nan 0.000 0.477 342 I N 0.203 120.752 120.570 -0.035 0.000 2.277 342 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 342 I C 2.624 178.715 176.117 -0.044 0.000 1.094 342 I CA 0.501 61.774 61.300 -0.045 0.000 1.393 342 I CB -0.200 37.770 38.000 -0.051 0.000 1.078 342 I HN 0.022 nan 8.210 nan 0.000 0.417 343 S N 0.829 116.508 115.700 -0.035 0.000 2.359 343 S HA -0.301 4.169 4.470 -0.000 0.000 0.223 343 S C 2.286 176.867 174.600 -0.033 0.000 1.039 343 S CA 1.845 60.026 58.200 -0.031 0.000 1.042 343 S CB -0.314 62.872 63.200 -0.022 0.000 0.915 343 S HN 0.266 nan 8.310 nan 0.000 0.439 344 R N 0.087 120.569 120.500 -0.030 0.000 2.113 344 R HA -0.101 4.238 4.340 -0.000 0.000 0.244 344 R C 2.653 178.933 176.300 -0.034 0.000 1.142 344 R CA 1.896 57.978 56.100 -0.029 0.000 0.953 344 R CB -0.746 29.538 30.300 -0.027 0.000 0.860 344 R HN 0.430 nan 8.270 nan 0.000 0.438 345 S N -0.029 115.648 115.700 -0.038 0.000 2.402 345 S HA 0.018 4.488 4.470 -0.000 0.000 0.229 345 S C 1.803 176.373 174.600 -0.049 0.000 1.021 345 S CA 0.671 58.844 58.200 -0.043 0.000 0.974 345 S CB -0.010 63.161 63.200 -0.049 0.000 0.800 345 S HN 0.266 nan 8.310 nan 0.000 0.484 346 L N 0.852 122.043 121.223 -0.052 0.000 2.072 346 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 346 L C 2.524 179.368 176.870 -0.043 0.000 1.079 346 L CA 1.249 56.056 54.840 -0.055 0.000 0.752 346 L CB -0.538 41.486 42.059 -0.059 0.000 0.906 346 L HN 0.243 nan 8.230 nan 0.000 0.436 347 K N 1.215 121.593 120.400 -0.037 0.000 2.009 347 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 347 K C 2.014 178.597 176.600 -0.028 0.000 1.049 347 K CA 1.970 58.239 56.287 -0.030 0.000 0.929 347 K CB -0.516 31.967 32.500 -0.027 0.000 0.714 347 K HN 0.190 nan 8.250 nan 0.000 0.440 348 A N 0.504 123.306 122.820 -0.029 0.000 1.972 348 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 348 A C 2.129 179.698 177.584 -0.025 0.000 1.169 348 A CA 1.625 53.647 52.037 -0.026 0.000 0.635 348 A CB -0.696 18.288 19.000 -0.028 0.000 0.810 348 A HN 0.414 nan 8.150 nan 0.000 0.446 349 L N -0.330 120.874 121.223 -0.031 0.000 2.056 349 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 349 L C 2.619 179.477 176.870 -0.020 0.000 1.078 349 L CA 2.164 56.987 54.840 -0.029 0.000 0.749 349 L CB -0.840 41.195 42.059 -0.041 0.000 0.901 349 L HN 0.311 nan 8.230 nan 0.000 0.433 350 A N -0.463 122.344 122.820 -0.022 0.000 1.902 350 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 350 A C 2.484 180.061 177.584 -0.012 0.000 1.181 350 A CA 1.885 53.911 52.037 -0.017 0.000 0.623 350 A CB -0.584 18.403 19.000 -0.022 0.000 0.818 350 A HN 0.461 nan 8.150 nan 0.000 0.443 351 R N -0.438 120.054 120.500 -0.013 0.000 2.092 351 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 351 R C 2.197 178.491 176.300 -0.009 0.000 1.119 351 R CA 1.578 57.672 56.100 -0.011 0.000 0.970 351 R CB -0.268 30.024 30.300 -0.013 0.000 0.864 351 R HN 0.747 nan 8.270 nan 0.000 0.440 352 E N -0.406 119.787 120.200 -0.011 0.000 2.047 352 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 352 E C 0.766 177.361 176.600 -0.008 0.000 0.987 352 E CA 1.046 57.440 56.400 -0.010 0.000 0.799 352 E CB 0.140 29.833 29.700 -0.012 0.000 0.752 352 E HN 0.167 nan 8.360 nan 0.000 0.449 353 L N 1.312 122.531 121.223 -0.007 0.000 2.592 353 L HA 0.100 4.440 4.340 -0.000 0.000 0.227 353 L C -0.133 176.736 176.870 -0.002 0.000 1.127 353 L CA 0.597 55.434 54.840 -0.005 0.000 0.884 353 L CB -0.214 41.844 42.059 -0.002 0.000 1.065 353 L HN 0.063 nan 8.230 nan 0.000 0.457 354 E N -0.357 119.842 120.200 -0.002 0.000 2.197 354 E HA -0.197 4.153 4.350 -0.000 0.000 0.184 354 E C -0.670 175.933 176.600 0.005 0.000 1.439 354 E CA 0.072 56.473 56.400 0.002 0.000 0.688 354 E CB -1.071 28.630 29.700 0.002 0.000 1.090 354 E HN 0.105 nan 8.360 nan 0.000 0.341 355 V N 1.143 121.059 119.914 0.003 0.000 2.891 355 V HA 0.319 4.439 4.120 -0.000 0.000 0.304 355 V C -2.208 173.883 176.094 -0.006 0.000 1.171 355 V CA -1.620 60.681 62.300 0.003 0.000 0.943 355 V CB 2.539 34.363 31.823 0.002 0.000 1.037 355 V HN 0.088 nan 8.190 nan 0.000 0.427 356 P HA 0.187 nan 4.420 nan 0.000 0.271 356 P C -0.702 176.547 177.300 -0.084 0.000 1.226 356 P CA 0.130 63.204 63.100 -0.043 0.000 0.765 356 P CB 1.166 32.842 31.700 -0.039 0.000 0.835 357 V N 6.338 126.202 119.914 -0.082 0.000 2.370 357 V HA 0.257 4.377 4.120 -0.000 0.000 0.279 357 V C 0.771 176.790 176.094 -0.124 0.000 1.029 357 V CA -0.449 61.804 62.300 -0.077 0.000 0.870 357 V CB 0.953 32.748 31.823 -0.047 0.000 0.984 357 V HN 0.413 nan 8.190 nan 0.000 0.451 358 I N 5.226 125.712 120.570 -0.140 0.000 2.313 358 I HA 0.450 4.620 4.170 -0.000 0.000 0.286 358 I C 0.662 176.742 176.117 -0.061 0.000 1.091 358 I CA -0.167 61.037 61.300 -0.160 0.000 1.216 358 I CB 0.996 38.846 38.000 -0.251 0.000 1.434 358 I HN 0.650 nan 8.210 nan 0.000 0.487 359 A N 7.823 130.618 122.820 -0.043 0.000 2.320 359 A HA 0.645 4.965 4.320 -0.000 0.000 0.287 359 A C -0.265 177.334 177.584 0.025 0.000 1.181 359 A CA -0.382 51.653 52.037 -0.003 0.000 0.831 359 A CB 0.420 19.411 19.000 -0.015 0.000 1.102 359 A HN 0.678 nan 8.150 nan 0.000 0.513 360 L N 2.065 123.332 121.223 0.072 0.000 2.375 360 L HA 0.562 4.902 4.340 -0.000 0.000 0.271 360 L C 0.716 177.670 176.870 0.140 0.000 1.107 360 L CA -0.131 54.772 54.840 0.106 0.000 0.806 360 L CB 1.637 43.776 42.059 0.133 0.000 1.146 360 L HN 0.712 nan 8.230 nan 0.000 0.447 361 S N 1.666 117.438 115.700 0.121 0.000 2.569 361 S HA 0.421 4.891 4.470 -0.000 0.000 0.280 361 S C -1.193 173.489 174.600 0.137 0.000 1.111 361 S CA -0.628 57.660 58.200 0.145 0.000 0.887 361 S CB 1.987 65.243 63.200 0.093 0.000 1.095 361 S HN 0.624 nan 8.310 nan 0.000 0.476 362 Q N 2.730 122.635 119.800 0.175 0.000 2.312 362 Q HA 0.648 4.988 4.340 -0.000 0.000 0.263 362 Q C -1.085 174.987 176.000 0.120 0.000 0.995 362 Q CA -0.703 55.175 55.803 0.123 0.000 0.853 362 Q CB 1.176 30.000 28.738 0.142 0.000 1.300 362 Q HN 0.711 nan 8.270 nan 0.000 0.448 375 P HA 0.504 nan 4.420 nan 0.000 0.325 375 P C -0.859 176.044 177.300 -0.662 0.000 1.298 375 P CA -0.516 62.233 63.100 -0.584 0.000 0.771 375 P CB 0.952 32.150 31.700 -0.838 0.000 1.389 376 M N -3.854 115.297 119.600 -0.749 0.000 3.231 376 M HA 0.289 4.769 4.480 -0.000 0.000 0.282 376 M C -0.104 176.055 176.300 -0.234 0.000 1.126 376 M CA -0.783 54.228 55.300 -0.481 0.000 0.820 376 M CB 0.398 32.857 32.600 -0.236 0.000 1.624 376 M HN -0.110 nan 8.290 nan 0.000 0.535 377 M N 1.367 120.980 119.600 0.021 0.000 2.082 377 M HA -0.093 4.387 4.480 -0.000 0.000 0.258 377 M C 2.187 178.546 176.300 0.099 0.000 1.071 377 M CA 3.017 58.413 55.300 0.160 0.000 1.103 377 M CB -1.580 31.093 32.600 0.122 0.000 1.307 377 M HN 1.004 nan 8.290 nan 0.000 0.409 378 S N -0.399 115.320 115.700 0.032 0.000 2.584 378 S HA -0.132 4.338 4.470 -0.000 0.000 0.240 378 S C 1.254 175.866 174.600 0.020 0.000 0.975 378 S CA 1.039 59.253 58.200 0.023 0.000 0.949 378 S CB -0.610 62.592 63.200 0.003 0.000 0.761 378 S HN 0.383 nan 8.310 nan 0.000 0.536 379 D N 2.144 122.551 120.400 0.012 0.000 2.149 379 D HA 0.002 4.642 4.640 -0.000 0.000 0.201 379 D C 1.865 178.203 176.300 0.064 0.000 0.972 379 D CA 1.549 55.556 54.000 0.010 0.000 0.835 379 D CB -0.121 40.647 40.800 -0.053 0.000 0.966 379 D HN 0.728 nan 8.370 nan 0.000 0.476 380 I N -1.328 119.311 120.570 0.116 0.000 3.339 380 I HA 0.154 4.324 4.170 -0.000 0.000 0.285 380 I C 2.321 178.483 176.117 0.074 0.000 1.201 380 I CA -0.193 61.174 61.300 0.112 0.000 1.434 380 I CB -0.094 37.996 38.000 0.150 0.000 1.152 380 I HN -0.254 nan 8.210 nan 0.000 0.443 381 R N 2.314 122.857 120.500 0.071 0.000 2.096 381 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 381 R C 1.978 178.298 176.300 0.033 0.000 1.139 381 R CA 1.969 58.097 56.100 0.047 0.000 0.952 381 R CB -0.689 29.637 30.300 0.044 0.000 0.854 381 R HN 0.469 nan 8.270 nan 0.000 0.436 382 E N 0.022 120.240 120.200 0.030 0.000 2.331 382 E HA -0.098 4.252 4.350 -0.000 0.000 0.199 382 E C -0.131 176.481 176.600 0.021 0.000 1.008 382 E CA 1.125 57.538 56.400 0.021 0.000 0.843 382 E CB -0.092 29.618 29.700 0.017 0.000 0.761 382 E HN 0.377 nan 8.360 nan 0.000 0.507 383 S N 0.093 115.810 115.700 0.028 0.000 2.475 383 S HA 0.511 4.981 4.470 -0.000 0.000 0.249 383 S C 0.121 174.736 174.600 0.023 0.000 1.298 383 S CA -0.230 57.986 58.200 0.026 0.000 1.125 383 S CB 1.015 64.236 63.200 0.034 0.000 1.054 383 S HN 0.239 nan 8.310 nan 0.000 0.484 384 G N 2.359 111.168 108.800 0.015 0.000 3.379 384 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.653 384 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.653 384 G C 0.404 175.310 174.900 0.010 0.000 0.872 384 G CA 0.191 45.297 45.100 0.009 0.000 0.754 384 G HN 1.846 nan 8.290 nan 0.000 0.467 385 S N 2.839 118.543 115.700 0.006 0.000 1.749 385 S HA -0.423 4.047 4.470 -0.000 0.000 0.537 385 S C 2.311 176.915 174.600 0.007 0.000 0.914 385 S CA 3.299 61.502 58.200 0.005 0.000 3.383 385 S CB -0.719 62.480 63.200 -0.002 0.000 2.354 385 S HN 2.238 nan 8.310 nan 0.000 0.592 386 I N -0.726 119.843 120.570 -0.001 0.000 4.497 386 I HA -0.452 3.718 4.170 -0.000 0.000 0.059 386 I C 1.803 177.917 176.117 -0.005 0.000 0.607 386 I CA 2.217 63.514 61.300 -0.004 0.000 0.958 386 I CB -1.639 36.361 38.000 0.001 0.000 0.864 386 I HN 0.785 nan 8.210 nan 0.000 0.166 387 E N 0.638 120.840 120.200 0.004 0.000 2.149 387 E HA -0.370 3.980 4.350 -0.000 0.000 0.215 387 E C 1.726 178.326 176.600 -0.000 0.000 1.055 387 E CA 2.777 59.181 56.400 0.007 0.000 0.870 387 E CB -0.079 29.633 29.700 0.019 0.000 0.764 387 E HN 0.713 nan 8.360 nan 0.000 0.463 388 Q N -0.331 119.469 119.800 -0.002 0.000 2.425 388 Q HA -0.000 4.340 4.340 -0.000 0.000 0.204 388 Q C 1.028 177.022 176.000 -0.011 0.000 0.933 388 Q CA 1.000 56.800 55.803 -0.005 0.000 0.939 388 Q CB 0.512 29.247 28.738 -0.005 0.000 1.044 388 Q HN 0.334 nan 8.270 nan 0.000 0.513 389 D N 0.746 121.139 120.400 -0.013 0.000 2.338 389 D HA 0.094 4.734 4.640 -0.000 0.000 0.224 389 D C 0.325 176.614 176.300 -0.018 0.000 0.967 389 D CA 0.480 54.469 54.000 -0.018 0.000 0.896 389 D CB -0.079 40.709 40.800 -0.020 0.000 1.028 389 D HN 0.174 nan 8.370 nan 0.000 0.493 390 A N 1.877 124.685 122.820 -0.020 0.000 2.454 390 A HA 0.155 4.475 4.320 -0.000 0.000 0.260 390 A C 0.361 177.935 177.584 -0.017 0.000 1.106 390 A CA -0.224 51.798 52.037 -0.024 0.000 0.780 390 A CB 0.241 19.220 19.000 -0.035 0.000 1.044 390 A HN 0.027 nan 8.150 nan 0.000 0.498 391 D N 1.254 121.648 120.400 -0.009 0.000 2.349 391 D HA 0.171 4.811 4.640 -0.000 0.000 0.214 391 D C 0.167 176.473 176.300 0.010 0.000 1.063 391 D CA 0.285 54.285 54.000 0.001 0.000 0.847 391 D CB 0.102 40.906 40.800 0.007 0.000 0.933 391 D HN 0.444 nan 8.370 nan 0.000 0.513 392 I N -0.053 120.520 120.570 0.005 0.000 2.611 392 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 392 I C -2.031 174.069 176.117 -0.028 0.000 1.184 392 I CA -0.899 60.409 61.300 0.014 0.000 1.054 392 I CB 1.896 39.941 38.000 0.076 0.000 1.257 392 I HN -0.335 nan 8.210 nan 0.000 0.435 393 V N 7.572 127.437 119.914 -0.081 0.000 2.304 393 V HA 0.694 4.814 4.120 -0.000 0.000 0.278 393 V C 0.528 176.424 176.094 -0.330 0.000 1.018 393 V CA -0.359 61.812 62.300 -0.215 0.000 0.814 393 V CB 1.067 32.739 31.823 -0.252 0.000 1.021 393 V HN 0.793 nan 8.190 nan 0.000 0.440 394 A N 5.016 127.663 122.820 -0.289 0.000 2.304 394 A HA 0.900 5.220 4.320 -0.000 0.000 0.301 394 A C -0.933 176.388 177.584 -0.438 0.000 1.132 394 A CA -0.283 51.612 52.037 -0.237 0.000 0.819 394 A CB 0.608 19.597 19.000 -0.019 0.000 1.094 394 A HN 0.658 nan 8.150 nan 0.000 0.492 395 F N 1.034 120.958 119.950 -0.044 0.000 2.529 395 F HA 0.434 4.961 4.527 -0.000 0.000 0.320 395 F C -0.095 175.641 175.800 -0.106 0.000 1.118 395 F CA -0.490 57.475 58.000 -0.057 0.000 0.915 395 F CB 1.912 40.881 39.000 -0.052 0.000 1.161 395 F HN 0.329 nan 8.300 nan 0.000 0.445 396 L N 4.369 125.648 121.223 0.093 0.000 2.292 396 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 396 L C -0.964 175.973 176.870 0.111 0.000 1.065 396 L CA -0.631 54.187 54.840 -0.036 0.000 0.806 396 L CB 1.254 43.219 42.059 -0.156 0.000 1.175 396 L HN 0.605 nan 8.230 nan 0.000 0.431 414 I N 4.649 125.167 120.570 -0.087 0.000 2.307 414 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 414 I C -0.013 176.087 176.117 -0.028 0.000 1.021 414 I CA -0.512 60.707 61.300 -0.135 0.000 1.224 414 I CB 0.650 38.505 38.000 -0.241 0.000 1.376 414 I HN 0.358 nan 8.210 nan 0.000 0.470 415 I N 7.650 128.243 120.570 0.037 0.000 2.291 415 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 415 I C 0.096 176.262 176.117 0.083 0.000 1.050 415 I CA -0.366 60.983 61.300 0.082 0.000 1.245 415 I CB 0.678 38.753 38.000 0.126 0.000 1.405 415 I HN 0.431 nan 8.210 nan 0.000 0.478 416 I N 6.324 126.919 120.570 0.042 0.000 2.260 416 I HA 0.158 4.328 4.170 -0.000 0.000 0.297 416 I C 1.336 177.477 176.117 0.040 0.000 1.143 416 I CA 0.149 61.463 61.300 0.024 0.000 1.271 416 I CB 0.987 39.002 38.000 0.025 0.000 1.461 416 I HN 0.696 nan 8.210 nan 0.000 0.530 417 A N 5.955 128.808 122.820 0.055 0.000 2.030 417 A HA 0.084 4.403 4.320 -0.000 0.000 0.215 417 A C 1.052 178.667 177.584 0.051 0.000 1.164 417 A CA 0.738 52.835 52.037 0.100 0.000 0.697 417 A CB 0.206 19.364 19.000 0.263 0.000 0.827 417 A HN 0.614 nan 8.150 nan 0.000 0.457 418 K N 0.208 120.615 120.400 0.011 0.000 2.482 418 K HA 0.442 4.762 4.320 -0.000 0.000 0.251 418 K C -1.534 175.069 176.600 0.005 0.000 0.936 418 K CA -0.514 55.778 56.287 0.008 0.000 0.791 418 K CB 1.298 33.799 32.500 0.003 0.000 1.213 418 K HN 0.492 nan 8.250 nan 0.000 0.428 419 Q N 3.305 123.112 119.800 0.013 0.000 2.472 419 Q HA 0.374 4.714 4.340 -0.000 0.000 0.281 419 Q C -0.801 175.209 176.000 0.016 0.000 0.997 419 Q CA -0.811 55.004 55.803 0.019 0.000 0.828 419 Q CB 1.788 30.542 28.738 0.028 0.000 1.443 419 Q HN 0.626 nan 8.270 nan 0.000 0.390 420 R N 0.577 121.087 120.500 0.018 0.000 2.237 420 R HA 0.141 4.481 4.340 -0.000 0.000 0.195 420 R C 1.212 177.520 176.300 0.014 0.000 0.956 420 R CA 0.407 56.515 56.100 0.014 0.000 1.029 420 R CB 0.212 30.519 30.300 0.012 0.000 0.972 420 R HN 0.639 nan 8.270 nan 0.000 0.493 421 N N 0.090 118.801 118.700 0.018 0.000 2.061 421 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 421 N C 1.241 176.757 175.510 0.009 0.000 1.030 421 N CA 2.014 55.072 53.050 0.014 0.000 0.856 421 N CB 0.028 38.524 38.487 0.015 0.000 1.023 421 N HN 0.403 nan 8.380 nan 0.000 0.424 422 G N -0.633 108.173 108.800 0.010 0.000 2.445 422 G HA2 0.076 4.036 3.960 -0.000 0.000 0.104 422 G HA3 0.076 4.036 3.960 -0.000 0.000 0.104 422 G C -2.575 172.330 174.900 0.008 0.000 0.958 422 G CA -0.481 44.624 45.100 0.008 0.000 1.324 422 G HN 0.115 nan 8.290 nan 0.000 0.549 423 P HA 0.499 nan 4.420 nan 0.000 0.268 423 P C -0.792 176.514 177.300 0.010 0.000 1.208 423 P CA -0.039 63.066 63.100 0.007 0.000 0.777 423 P CB 1.513 33.216 31.700 0.005 0.000 0.875 424 V N 1.756 121.677 119.914 0.012 0.000 2.525 424 V HA 0.813 4.933 4.120 -0.000 0.000 0.299 424 V C 0.451 176.554 176.094 0.015 0.000 1.034 424 V CA 0.200 62.510 62.300 0.016 0.000 0.863 424 V CB 1.350 33.184 31.823 0.018 0.000 0.999 424 V HN 0.948 nan 8.190 nan 0.000 0.423 425 G N 3.104 111.914 108.800 0.018 0.000 2.341 425 G HA2 0.453 4.413 3.960 -0.000 0.000 0.299 425 G HA3 0.453 4.413 3.960 -0.000 0.000 0.299 425 G C -1.025 173.884 174.900 0.016 0.000 1.274 425 G CA -0.393 44.715 45.100 0.014 0.000 0.853 425 G HN 0.428 nan 8.290 nan 0.000 0.493 426 T N 0.596 115.157 114.554 0.011 0.000 2.749 426 T HA 0.574 4.923 4.350 -0.000 0.000 0.287 426 T C -0.255 174.450 174.700 0.009 0.000 0.970 426 T CA -0.209 61.898 62.100 0.012 0.000 0.980 426 T CB 1.389 70.265 68.868 0.013 0.000 0.924 426 T HN 0.553 nan 8.240 nan 0.000 0.456 427 V N 4.227 124.142 119.914 0.002 0.000 2.398 427 V HA 0.414 4.534 4.120 -0.000 0.000 0.286 427 V C 0.005 176.091 176.094 -0.014 0.000 1.026 427 V CA -0.844 61.456 62.300 -0.001 0.000 0.868 427 V CB 1.673 33.497 31.823 0.002 0.000 0.982 427 V HN 0.779 nan 8.190 nan 0.000 0.443 428 Q N 3.742 123.540 119.800 -0.003 0.000 2.314 428 Q HA 0.640 4.980 4.340 -0.000 0.000 0.259 428 Q C -1.231 174.764 176.000 -0.007 0.000 0.951 428 Q CA -0.233 55.569 55.803 -0.001 0.000 0.909 428 Q CB 1.462 30.210 28.738 0.018 0.000 1.236 428 Q HN 0.666 nan 8.270 nan 0.000 0.444 429 L N 1.746 122.960 121.223 -0.015 0.000 2.322 429 L HA 0.825 5.165 4.340 -0.000 0.000 0.269 429 L C -0.318 176.622 176.870 0.116 0.000 1.012 429 L CA -1.081 53.763 54.840 0.007 0.000 0.815 429 L CB 1.797 43.806 42.059 -0.084 0.000 1.295 429 L HN 0.651 nan 8.230 nan 0.000 0.438 430 A N 1.478 124.373 122.820 0.126 0.000 2.282 430 A HA 0.691 5.011 4.320 -0.000 0.000 0.319 430 A C -1.311 176.414 177.584 0.234 0.000 1.121 430 A CA -0.217 51.906 52.037 0.144 0.000 0.836 430 A CB 1.018 20.060 19.000 0.071 0.000 1.146 430 A HN 0.505 nan 8.150 nan 0.000 0.494 431 F N 1.562 121.476 119.950 -0.059 0.000 2.585 431 F HA 0.482 5.009 4.527 -0.000 0.000 0.319 431 F C 0.221 175.916 175.800 -0.176 0.000 1.165 431 F CA -0.814 57.026 58.000 -0.267 0.000 0.949 431 F CB 1.234 39.940 39.000 -0.489 0.000 1.218 431 F HN 0.477 nan 8.300 nan 0.000 0.453 432 I N 3.997 124.137 120.570 -0.718 0.000 2.339 432 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 432 I C 1.614 177.410 176.117 -0.535 0.000 1.096 432 I CA 0.859 61.895 61.300 -0.441 0.000 1.408 432 I CB -0.160 37.725 38.000 -0.192 0.000 1.092 432 I HN 0.843 nan 8.210 nan 0.000 0.423 433 K N -0.770 119.079 120.400 -0.917 0.000 8.159 433 K HA -0.296 4.024 4.320 -0.000 0.000 0.490 433 K C 1.464 177.876 176.600 -0.313 0.000 0.365 433 K CA 1.571 57.538 56.287 -0.532 0.000 1.964 433 K CB -1.084 31.289 32.500 -0.211 0.000 0.644 433 K HN 0.081 nan 8.250 nan 0.000 0.917 434 E N 0.050 120.074 120.200 -0.292 0.000 2.086 434 E HA -0.184 4.166 4.350 -0.000 0.000 0.200 434 E C 1.641 177.992 176.600 -0.416 0.000 1.012 434 E CA 2.368 58.551 56.400 -0.363 0.000 0.812 434 E CB -0.181 29.232 29.700 -0.478 0.000 0.743 434 E HN 0.528 nan 8.360 nan 0.000 0.453 435 Y N -0.956 119.238 120.300 -0.177 0.000 2.510 435 Y HA 0.108 4.658 4.550 -0.000 0.000 0.273 435 Y C 0.668 176.472 175.900 -0.161 0.000 1.119 435 Y CA 0.158 58.172 58.100 -0.144 0.000 1.286 435 Y CB 0.371 38.756 38.460 -0.126 0.000 1.061 435 Y HN -0.038 nan 8.280 nan 0.000 0.542 436 N N 0.854 119.459 118.700 -0.159 0.000 2.780 436 N HA -0.210 4.530 4.740 -0.000 0.000 0.248 436 N C -1.003 174.418 175.510 -0.147 0.000 1.102 436 N CA 0.461 53.399 53.050 -0.187 0.000 0.697 436 N CB -0.989 37.491 38.487 -0.012 0.000 1.028 436 N HN 0.265 nan 8.380 nan 0.000 0.554 437 K N 0.036 120.261 120.400 -0.292 0.000 2.207 437 K HA 0.380 4.700 4.320 -0.000 0.000 0.255 437 K C -0.510 175.986 176.600 -0.174 0.000 0.941 437 K CA -0.576 55.660 56.287 -0.086 0.000 0.825 437 K CB 0.841 33.337 32.500 -0.007 0.000 1.119 437 K HN 0.024 nan 8.250 nan 0.000 0.430 438 F N 2.173 122.267 119.950 0.240 0.000 2.411 438 F HA 0.252 4.779 4.527 -0.000 0.000 0.350 438 F C 0.126 175.908 175.800 -0.029 0.000 1.114 438 F CA -0.594 57.512 58.000 0.176 0.000 1.135 438 F CB 1.214 40.325 39.000 0.185 0.000 1.120 438 F HN 0.049 nan 8.300 nan 0.000 0.495 439 V N 3.224 123.198 119.914 0.099 0.000 2.960 439 V HA 0.350 4.470 4.120 -0.000 0.000 0.315 439 V C -0.034 176.056 176.094 -0.007 0.000 1.087 439 V CA -1.436 60.902 62.300 0.064 0.000 0.982 439 V CB 1.771 33.636 31.823 0.070 0.000 1.039 439 V HN 0.621 nan 8.190 nan 0.000 0.437 440 N N 0.762 119.504 118.700 0.070 0.000 2.288 440 N HA 0.434 5.173 4.740 -0.000 0.000 0.237 440 N C -0.685 174.853 175.510 0.047 0.000 1.311 440 N CA -0.082 53.010 53.050 0.070 0.000 0.909 440 N CB 0.995 39.563 38.487 0.135 0.000 1.167 440 N HN 0.438 nan 8.380 nan 0.000 0.476 441 L N 0.000 121.249 121.223 0.044 0.000 2.949 441 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 441 L CA 0.000 54.861 54.840 0.035 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