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_F 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 0.000 176.624 176.600 0.040 0.000 1.382 15 E CA 0.000 56.458 56.400 0.096 0.000 0.976 15 E CB 0.000 29.752 29.700 0.086 0.000 0.812 16 A N 1.846 124.700 122.820 0.056 0.000 1.940 16 A HA -0.229 4.091 4.320 0.000 0.000 0.219 16 A C 1.925 179.488 177.584 -0.035 0.000 1.176 16 A CA 1.878 53.918 52.037 0.005 0.000 0.631 16 A CB -0.487 18.603 19.000 0.150 0.000 0.814 16 A HN 0.236 nan 8.150 nan 0.000 0.446 17 E N -0.431 119.834 120.200 0.108 0.000 2.049 17 E HA -0.279 4.071 4.350 0.000 0.000 0.198 17 E C 2.287 179.018 176.600 0.218 0.000 1.007 17 E CA 1.630 58.208 56.400 0.297 0.000 0.809 17 E CB -0.267 29.793 29.700 0.600 0.000 0.749 17 E HN 0.745 nan 8.360 nan 0.000 0.450 18 Q N -0.071 119.806 119.800 0.130 0.000 2.152 18 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 18 Q C 2.153 178.092 176.000 -0.102 0.000 0.985 18 Q CA 1.393 57.184 55.803 -0.021 0.000 0.863 18 Q CB -0.170 28.587 28.738 0.031 0.000 0.904 18 Q HN 0.248 nan 8.270 nan 0.000 0.422 19 A N 0.045 122.743 122.820 -0.203 0.000 1.930 19 A HA -0.103 4.217 4.320 0.000 0.000 0.217 19 A C 2.283 179.762 177.584 -0.174 0.000 1.175 19 A CA 1.068 52.900 52.037 -0.343 0.000 0.627 19 A CB -0.472 17.928 19.000 -0.999 0.000 0.815 19 A HN 0.195 nan 8.150 nan 0.000 0.443 20 V N 0.401 120.280 119.914 -0.059 0.000 2.223 20 V HA -0.270 3.850 4.120 0.000 0.000 0.244 20 V C 2.568 178.707 176.094 0.075 0.000 1.045 20 V CA 1.983 64.347 62.300 0.106 0.000 1.000 20 V CB -0.984 30.983 31.823 0.240 0.000 0.635 20 V HN 0.578 nan 8.190 nan 0.000 0.445 21 L N 0.499 121.757 121.223 0.058 0.000 1.997 21 L HA -0.220 4.120 4.340 0.000 0.000 0.216 21 L C 2.705 179.467 176.870 -0.180 0.000 1.074 21 L CA 2.127 56.893 54.840 -0.123 0.000 0.763 21 L CB -1.496 40.437 42.059 -0.210 0.000 0.890 21 L HN 0.522 nan 8.230 nan 0.000 0.434 22 G N -0.495 108.270 108.800 -0.059 0.000 2.476 22 G HA2 -0.300 3.660 3.960 0.000 0.000 0.218 22 G HA3 -0.300 3.660 3.960 0.000 0.000 0.218 22 G C 1.693 176.621 174.900 0.046 0.000 1.164 22 G CA 0.986 46.113 45.100 0.045 0.000 0.768 22 G HN 0.521 nan 8.290 nan 0.000 0.560 23 A N -0.297 122.527 122.820 0.007 0.000 2.067 23 A HA 0.222 4.542 4.320 0.000 0.000 0.219 23 A C 2.545 180.131 177.584 0.004 0.000 1.158 23 A CA 1.516 53.571 52.037 0.031 0.000 0.661 23 A CB -0.294 18.742 19.000 0.061 0.000 0.801 23 A HN 0.261 nan 8.150 nan 0.000 0.452 24 V N -1.169 118.699 119.914 -0.077 0.000 2.358 24 V HA -0.194 3.926 4.120 0.000 0.000 0.246 24 V C 2.185 178.207 176.094 -0.120 0.000 1.047 24 V CA 1.735 63.946 62.300 -0.150 0.000 1.035 24 V CB -0.946 30.709 31.823 -0.281 0.000 0.658 24 V HN 0.562 nan 8.190 nan 0.000 0.452 25 F N -0.578 119.350 119.950 -0.038 0.000 2.250 25 F HA -0.147 4.380 4.527 0.000 0.000 0.301 25 F C 2.072 177.854 175.800 -0.031 0.000 1.077 25 F CA 1.085 59.058 58.000 -0.044 0.000 1.348 25 F CB -0.577 38.388 39.000 -0.059 0.000 1.040 25 F HN 0.077 nan 8.300 nan 0.000 0.509 26 L N -0.822 120.484 121.223 0.138 0.000 2.084 26 L HA -0.140 4.201 4.340 0.000 0.000 0.202 26 L C 2.182 179.082 176.870 0.050 0.000 1.074 26 L CA 1.479 56.367 54.840 0.080 0.000 0.757 26 L CB -0.348 41.747 42.059 0.061 0.000 0.918 26 L HN -0.034 nan 8.230 nan 0.000 0.444 27 D N -0.593 119.827 120.400 0.034 0.000 2.183 27 D HA -0.044 4.596 4.640 0.000 0.000 0.205 27 D C -0.974 175.335 176.300 0.015 0.000 0.962 27 D CA 0.605 54.619 54.000 0.023 0.000 0.849 27 D CB -0.531 40.283 40.800 0.022 0.000 0.978 27 D HN 0.248 nan 8.370 nan 0.000 0.488 28 P HA 0.283 nan 4.420 nan 0.000 0.258 28 P C 0.249 177.538 177.300 -0.018 0.000 1.416 28 P CA 0.183 63.278 63.100 -0.009 0.000 0.927 28 P CB 0.322 32.014 31.700 -0.013 0.000 1.444 29 A N 0.574 123.392 122.820 -0.004 0.000 2.277 29 A HA 0.161 4.481 4.320 0.000 0.000 0.208 29 A C 2.051 179.639 177.584 0.008 0.000 1.202 29 A CA 1.053 53.089 52.037 -0.001 0.000 0.762 29 A CB -0.816 18.186 19.000 0.004 0.000 0.770 29 A HN 0.277 nan 8.150 nan 0.000 0.487 30 A N -0.801 122.024 122.820 0.008 0.000 2.119 30 A HA 0.116 4.437 4.320 0.000 0.000 0.217 30 A C 1.864 179.464 177.584 0.027 0.000 1.153 30 A CA 1.242 53.296 52.037 0.027 0.000 0.692 30 A CB -0.310 18.708 19.000 0.029 0.000 0.799 30 A HN 0.615 nan 8.150 nan 0.000 0.458 31 L N -0.210 121.003 121.223 -0.017 0.000 2.240 31 L HA -0.023 4.318 4.340 0.000 0.000 0.211 31 L C 2.199 179.069 176.870 -0.001 0.000 1.106 31 L CA 1.408 56.221 54.840 -0.046 0.000 0.793 31 L CB -0.346 41.630 42.059 -0.138 0.000 0.927 31 L HN 0.144 nan 8.230 nan 0.000 0.446 32 V N 0.727 120.646 119.914 0.008 0.000 2.261 32 V HA -0.164 3.956 4.120 0.000 0.000 0.246 32 V C -0.127 175.999 176.094 0.054 0.000 1.047 32 V CA 2.160 64.473 62.300 0.022 0.000 1.015 32 V CB -2.045 29.787 31.823 0.015 0.000 0.642 32 V HN 0.383 nan 8.190 nan 0.000 0.446 33 P HA 0.009 nan 4.420 nan 0.000 0.220 33 P C 1.647 179.019 177.300 0.120 0.000 1.152 33 P CA 1.637 64.785 63.100 0.081 0.000 0.812 33 P CB -0.120 31.626 31.700 0.076 0.000 0.792 34 A N 0.594 123.512 122.820 0.163 0.000 1.933 34 A HA -0.185 4.135 4.320 0.000 0.000 0.218 34 A C 2.342 180.141 177.584 0.358 0.000 1.175 34 A CA 2.374 54.570 52.037 0.265 0.000 0.628 34 A CB -1.604 17.624 19.000 0.380 0.000 0.814 34 A HN 0.352 nan 8.150 nan 0.000 0.444 35 S N -0.533 115.362 115.700 0.325 0.000 2.461 35 S HA -0.047 4.423 4.470 0.000 0.000 0.228 35 S C 1.428 176.136 174.600 0.180 0.000 1.005 35 S CA 1.025 59.420 58.200 0.326 0.000 0.942 35 S CB -0.300 63.004 63.200 0.174 0.000 0.776 35 S HN 0.647 nan 8.310 nan 0.000 0.514 36 E N 0.459 120.732 120.200 0.122 0.000 2.418 36 E HA 0.148 4.498 4.350 0.000 0.000 0.197 36 E C 1.319 177.955 176.600 0.061 0.000 1.026 36 E CA 0.881 57.327 56.400 0.077 0.000 0.862 36 E CB -0.067 29.669 29.700 0.059 0.000 0.799 36 E HN 0.652 nan 8.360 nan 0.000 0.518 37 I N -0.527 120.082 120.570 0.065 0.000 4.338 37 I HA 0.091 4.262 4.170 0.000 0.000 0.315 37 I C 0.232 176.337 176.117 -0.020 0.000 1.262 37 I CA 0.071 61.383 61.300 0.019 0.000 1.298 37 I CB 0.815 38.823 38.000 0.013 0.000 1.257 37 I HN -0.106 nan 8.210 nan 0.000 0.444 38 L N 2.420 123.635 121.223 -0.013 0.000 2.354 38 L HA 0.590 4.930 4.340 0.000 0.000 0.269 38 L C -0.605 176.256 176.870 -0.015 0.000 1.005 38 L CA -0.872 53.887 54.840 -0.135 0.000 0.819 38 L CB 2.398 44.203 42.059 -0.424 0.000 1.311 38 L HN 0.034 nan 8.230 nan 0.000 0.423 39 I N -1.237 119.320 120.570 -0.022 0.000 2.863 39 I HA 0.518 4.688 4.170 0.000 0.000 0.311 39 I C -2.061 174.107 176.117 0.085 0.000 1.026 39 I CA -2.254 59.117 61.300 0.119 0.000 1.077 39 I CB 1.685 39.756 38.000 0.118 0.000 1.262 39 I HN 0.279 nan 8.210 nan 0.000 0.461 40 P HA -0.201 nan 4.420 nan 0.000 0.216 40 P C 0.947 178.398 177.300 0.251 0.000 1.154 40 P CA 1.633 64.924 63.100 0.318 0.000 0.865 40 P CB 0.048 31.945 31.700 0.329 0.000 0.789 41 E N -0.919 119.367 120.200 0.143 0.000 2.401 41 E HA -0.142 4.208 4.350 0.000 0.000 0.199 41 E C 1.495 178.135 176.600 0.067 0.000 1.023 41 E CA 0.729 57.186 56.400 0.094 0.000 0.859 41 E CB -0.768 28.966 29.700 0.056 0.000 0.780 41 E HN 0.355 nan 8.360 nan 0.000 0.523 42 D N -0.331 120.076 120.400 0.011 0.000 2.224 42 D HA -0.080 4.560 4.640 0.000 0.000 0.205 42 D C -0.013 176.211 176.300 -0.127 0.000 0.965 42 D CA 0.505 54.439 54.000 -0.111 0.000 0.852 42 D CB 0.012 40.657 40.800 -0.258 0.000 0.947 42 D HN 0.161 nan 8.370 nan 0.000 0.494 43 F N 0.534 120.458 119.950 -0.044 0.000 2.484 43 F HA -0.021 4.506 4.527 0.000 0.000 0.360 43 F C 1.461 177.297 175.800 0.060 0.000 1.101 43 F CA -0.463 57.548 58.000 0.019 0.000 1.251 43 F CB 0.550 39.574 39.000 0.040 0.000 1.132 43 F HN -0.145 nan 8.300 nan 0.000 0.570 44 Y N 2.969 123.335 120.300 0.111 0.000 2.243 44 Y HA 0.131 4.682 4.550 0.000 0.000 0.293 44 Y C 1.094 176.994 175.900 0.000 0.000 1.124 44 Y CA 0.911 59.029 58.100 0.030 0.000 1.159 44 Y CB 0.050 38.506 38.460 -0.007 0.000 1.008 44 Y HN 0.336 nan 8.280 nan 0.000 0.527 45 R N 0.286 120.652 120.500 -0.224 0.000 2.340 45 R HA 0.315 4.655 4.340 0.000 0.000 0.300 45 R C 1.330 177.510 176.300 -0.199 0.000 1.069 45 R CA 0.305 56.177 56.100 -0.379 0.000 0.984 45 R CB 1.103 31.085 30.300 -0.529 0.000 1.003 45 R HN 0.382 nan 8.270 nan 0.000 0.459 46 A N 3.652 126.355 122.820 -0.195 0.000 1.892 46 A HA -0.273 4.047 4.320 0.000 0.000 0.218 46 A C 2.213 179.776 177.584 -0.035 0.000 1.188 46 A CA 2.111 54.092 52.037 -0.094 0.000 0.631 46 A CB -0.747 18.193 19.000 -0.101 0.000 0.822 46 A HN 0.896 nan 8.150 nan 0.000 0.447 47 A N -0.496 122.297 122.820 -0.045 0.000 1.896 47 A HA -0.328 3.992 4.320 0.000 0.000 0.220 47 A C 1.979 179.664 177.584 0.169 0.000 1.206 47 A CA 2.116 54.183 52.037 0.050 0.000 0.647 47 A CB -1.377 17.639 19.000 0.026 0.000 0.828 47 A HN 0.812 nan 8.150 nan 0.000 0.455 48 H N -1.739 117.312 119.070 -0.031 0.000 2.353 48 H HA -0.141 4.415 4.556 0.000 0.000 0.300 48 H C 2.458 177.585 175.328 -0.335 0.000 1.090 48 H CA 1.189 57.132 56.048 -0.176 0.000 1.327 48 H CB -0.035 29.641 29.762 -0.143 0.000 1.383 48 H HN 0.661 nan 8.280 nan 0.000 0.508 49 Q N 1.220 121.010 119.800 -0.017 0.000 2.029 49 Q HA -0.223 4.118 4.340 0.000 0.000 0.209 49 Q C 2.180 178.213 176.000 0.055 0.000 0.999 49 Q CA 1.908 57.727 55.803 0.026 0.000 0.857 49 Q CB 0.112 28.885 28.738 0.058 0.000 0.926 49 Q HN 0.228 nan 8.270 nan 0.000 0.415 50 K N 0.198 120.625 120.400 0.047 0.000 2.020 50 K HA -0.173 4.147 4.320 0.000 0.000 0.212 50 K C 1.881 178.532 176.600 0.085 0.000 1.050 50 K CA 1.612 57.940 56.287 0.069 0.000 0.929 50 K CB -0.314 32.214 32.500 0.047 0.000 0.714 50 K HN 0.227 nan 8.250 nan 0.000 0.443 51 I N -0.430 120.167 120.570 0.045 0.000 2.069 51 I HA -0.311 3.859 4.170 0.000 0.000 0.237 51 I C 2.082 178.180 176.117 -0.032 0.000 1.053 51 I CA 1.484 62.789 61.300 0.009 0.000 1.311 51 I CB -0.314 37.672 38.000 -0.022 0.000 1.030 51 I HN 0.075 nan 8.210 nan 0.000 0.398 52 F N 0.687 120.497 119.950 -0.234 0.000 2.192 52 F HA -0.309 4.218 4.527 0.000 0.000 0.301 52 F C 2.685 178.458 175.800 -0.046 0.000 1.079 52 F CA 1.921 59.798 58.000 -0.204 0.000 1.303 52 F CB -0.398 38.412 39.000 -0.317 0.000 1.024 52 F HN 0.174 nan 8.300 nan 0.000 0.494 53 H N -0.407 118.716 119.070 0.087 0.000 2.299 53 H HA -0.093 4.463 4.556 0.000 0.000 0.302 53 H C 2.282 177.588 175.328 -0.036 0.000 1.078 53 H CA 1.314 57.394 56.048 0.054 0.000 1.323 53 H CB -0.249 29.556 29.762 0.071 0.000 1.381 53 H HN 0.324 nan 8.280 nan 0.000 0.498 54 A N 1.334 124.152 122.820 -0.004 0.000 1.883 54 A HA -0.237 4.083 4.320 0.000 0.000 0.217 54 A C 2.666 180.155 177.584 -0.158 0.000 1.186 54 A CA 1.874 53.872 52.037 -0.065 0.000 0.624 54 A CB -0.990 18.013 19.000 0.005 0.000 0.822 54 A HN 0.512 nan 8.150 nan 0.000 0.444 55 M N -0.876 118.601 119.600 -0.204 0.000 2.113 55 M HA -0.248 4.232 4.480 0.000 0.000 0.255 55 M C 2.082 178.191 176.300 -0.317 0.000 1.073 55 M CA 2.065 57.184 55.300 -0.302 0.000 1.091 55 M CB -0.387 31.922 32.600 -0.485 0.000 1.309 55 M HN 0.470 nan 8.290 nan 0.000 0.407 56 L N -1.475 119.521 121.223 -0.378 0.000 2.056 56 L HA -0.192 4.148 4.340 0.000 0.000 0.207 56 L C 2.505 179.231 176.870 -0.240 0.000 1.078 56 L CA 1.191 55.846 54.840 -0.309 0.000 0.749 56 L CB -0.474 41.412 42.059 -0.287 0.000 0.901 56 L HN 0.246 nan 8.230 nan 0.000 0.433 57 R N -0.671 119.658 120.500 -0.284 0.000 2.193 57 R HA -0.122 4.219 4.340 0.000 0.000 0.229 57 R C 2.076 178.299 176.300 -0.129 0.000 1.110 57 R CA 0.866 56.835 56.100 -0.218 0.000 0.988 57 R CB -0.028 30.131 30.300 -0.236 0.000 0.871 57 R HN 0.162 nan 8.270 nan 0.000 0.458 58 V N -0.146 119.692 119.914 -0.125 0.000 2.488 58 V HA -0.089 4.031 4.120 0.000 0.000 0.246 58 V C 2.175 178.220 176.094 -0.083 0.000 1.046 58 V CA 1.626 63.875 62.300 -0.085 0.000 1.053 58 V CB -0.132 31.648 31.823 -0.071 0.000 0.679 58 V HN 0.437 nan 8.190 nan 0.000 0.458 59 A N -0.603 122.151 122.820 -0.110 0.000 2.019 59 A HA -0.213 4.107 4.320 0.000 0.000 0.219 59 A C 1.675 179.217 177.584 -0.071 0.000 1.164 59 A CA 1.588 53.569 52.037 -0.093 0.000 0.644 59 A CB -0.458 18.471 19.000 -0.118 0.000 0.805 59 A HN 0.502 nan 8.150 nan 0.000 0.449 60 D N -0.937 119.418 120.400 -0.075 0.000 2.396 60 D HA 0.103 4.743 4.640 0.000 0.000 0.255 60 D C 1.308 177.585 176.300 -0.039 0.000 1.224 60 D CA 0.442 54.409 54.000 -0.055 0.000 0.894 60 D CB 0.208 40.972 40.800 -0.060 0.000 0.939 60 D HN 0.423 nan 8.370 nan 0.000 0.506 61 R N -0.578 119.899 120.500 -0.037 0.000 3.255 61 R HA 0.478 4.818 4.340 0.000 0.000 0.151 61 R C 0.709 176.995 176.300 -0.022 0.000 1.600 61 R CA 0.393 56.477 56.100 -0.026 0.000 1.255 61 R CB 0.301 30.587 30.300 -0.024 0.000 1.317 61 R HN 0.043 nan 8.270 nan 0.000 0.467 62 G N 0.571 109.357 108.800 -0.023 0.000 2.764 62 G HA2 0.062 4.023 3.960 0.000 0.000 0.678 62 G HA3 0.062 4.023 3.960 0.000 0.000 0.678 62 G C -0.522 174.358 174.900 -0.033 0.000 1.341 62 G CA -0.093 44.991 45.100 -0.026 0.000 0.836 62 G HN 0.368 nan 8.290 nan 0.000 0.632 63 E N 0.074 120.257 120.200 -0.028 0.000 2.642 63 E HA 0.168 4.518 4.350 0.000 0.000 0.206 63 E C -1.176 175.416 176.600 -0.013 0.000 0.939 63 E CA -0.020 56.368 56.400 -0.019 0.000 1.372 63 E CB 0.396 30.085 29.700 -0.018 0.000 1.334 63 E HN 0.537 nan 8.360 nan 0.000 0.709 64 P HA 0.381 nan 4.420 nan 0.000 0.330 64 P C -0.533 176.754 177.300 -0.021 0.000 1.323 64 P CA -0.432 62.656 63.100 -0.020 0.000 0.828 64 P CB 0.650 32.341 31.700 -0.015 0.000 2.009 65 V N 1.242 121.140 119.914 -0.025 0.000 2.350 65 V HA 0.542 4.662 4.120 0.000 0.000 0.285 65 V C -0.851 175.259 176.094 0.027 0.000 1.014 65 V CA -0.392 61.892 62.300 -0.026 0.000 0.831 65 V CB 0.207 31.977 31.823 -0.088 0.000 1.000 65 V HN 0.799 nan 8.190 nan 0.000 0.433 66 D N 2.679 123.132 120.400 0.088 0.000 2.622 66 D HA 0.296 4.936 4.640 0.000 0.000 0.255 66 D C 0.825 177.243 176.300 0.196 0.000 1.246 66 D CA -0.895 53.204 54.000 0.165 0.000 0.795 66 D CB 1.243 42.089 40.800 0.078 0.000 1.369 66 D HN 0.167 nan 8.370 nan 0.000 0.425 67 L N 0.107 121.404 121.223 0.123 0.000 2.058 67 L HA -0.285 4.055 4.340 0.000 0.000 0.226 67 L C 1.951 178.792 176.870 -0.048 0.000 1.089 67 L CA 1.920 56.674 54.840 -0.144 0.000 0.799 67 L CB -0.366 41.498 42.059 -0.324 0.000 0.900 67 L HN 0.452 nan 8.230 nan 0.000 0.442 68 V N -1.529 118.372 119.914 -0.022 0.000 2.346 68 V HA -0.253 3.867 4.120 0.000 0.000 0.244 68 V C 2.529 178.630 176.094 0.011 0.000 1.037 68 V CA 2.074 64.365 62.300 -0.016 0.000 1.029 68 V CB -0.253 31.558 31.823 -0.019 0.000 0.663 68 V HN 0.524 nan 8.190 nan 0.000 0.454 69 T N -0.387 114.181 114.554 0.023 0.000 2.699 69 T HA -0.200 4.150 4.350 0.000 0.000 0.268 69 T C 1.801 176.520 174.700 0.032 0.000 1.036 69 T CA 2.127 64.240 62.100 0.022 0.000 1.147 69 T CB -0.146 68.732 68.868 0.017 0.000 0.862 69 T HN 0.222 nan 8.240 nan 0.000 0.446 70 V N 1.622 121.579 119.914 0.072 0.000 2.283 70 V HA -0.122 3.998 4.120 0.000 0.000 0.243 70 V C 3.007 179.144 176.094 0.072 0.000 1.039 70 V CA 2.271 64.624 62.300 0.088 0.000 1.016 70 V CB -1.295 30.651 31.823 0.206 0.000 0.650 70 V HN 0.786 nan 8.190 nan 0.000 0.449 71 T N -0.587 114.006 114.554 0.065 0.000 2.778 71 T HA -0.234 4.116 4.350 0.000 0.000 0.269 71 T C 1.811 176.525 174.700 0.024 0.000 1.050 71 T CA 1.767 63.888 62.100 0.034 0.000 1.137 71 T CB -0.507 68.359 68.868 -0.003 0.000 0.860 71 T HN 0.471 nan 8.240 nan 0.000 0.468 72 A N 1.492 124.324 122.820 0.019 0.000 1.897 72 A HA 0.026 4.347 4.320 0.000 0.000 0.215 72 A C 2.302 179.895 177.584 0.015 0.000 1.181 72 A CA 1.749 53.793 52.037 0.012 0.000 0.620 72 A CB -0.771 18.233 19.000 0.007 0.000 0.821 72 A HN 0.569 nan 8.150 nan 0.000 0.443 73 E N 0.150 120.360 120.200 0.017 0.000 2.106 73 E HA -0.085 4.265 4.350 0.000 0.000 0.192 73 E C 1.821 178.436 176.600 0.026 0.000 0.984 73 E CA 1.008 57.417 56.400 0.015 0.000 0.806 73 E CB -0.380 29.322 29.700 0.003 0.000 0.750 73 E HN 0.578 nan 8.360 nan 0.000 0.458 74 L N -0.049 121.194 121.223 0.034 0.000 1.989 74 L HA -0.182 4.158 4.340 0.000 0.000 0.211 74 L C 2.531 179.420 176.870 0.032 0.000 1.071 74 L CA 1.398 56.263 54.840 0.041 0.000 0.749 74 L CB -0.626 41.465 42.059 0.053 0.000 0.890 74 L HN 0.224 nan 8.230 nan 0.000 0.431 75 A N -0.201 122.634 122.820 0.025 0.000 1.933 75 A HA -0.183 4.137 4.320 0.000 0.000 0.218 75 A C 2.512 180.105 177.584 0.016 0.000 1.175 75 A CA 1.753 53.801 52.037 0.018 0.000 0.628 75 A CB -0.765 18.243 19.000 0.013 0.000 0.814 75 A HN 0.424 nan 8.150 nan 0.000 0.444 76 A N 0.390 123.220 122.820 0.016 0.000 1.841 76 A HA -0.127 4.193 4.320 0.000 0.000 0.216 76 A C 2.307 179.902 177.584 0.018 0.000 1.199 76 A CA 2.387 54.433 52.037 0.014 0.000 0.621 76 A CB -1.139 17.869 19.000 0.013 0.000 0.835 76 A HN 1.181 nan 8.150 nan 0.000 0.445 77 S N 0.611 116.326 115.700 0.025 0.000 2.803 77 S HA 0.146 4.616 4.470 0.000 0.000 0.228 77 S C 0.436 175.050 174.600 0.023 0.000 0.953 77 S CA 0.739 58.956 58.200 0.028 0.000 0.983 77 S CB -1.069 62.158 63.200 0.044 0.000 0.784 77 S HN 0.816 nan 8.310 nan 0.000 0.498 78 E N 0.724 120.936 120.200 0.019 0.000 2.202 78 E HA -0.309 4.042 4.350 0.000 0.000 0.214 78 E C 0.174 176.783 176.600 0.015 0.000 1.303 78 E CA 1.044 57.453 56.400 0.015 0.000 0.714 78 E CB -2.361 27.345 29.700 0.010 0.000 1.130 78 E HN 0.985 nan 8.360 nan 0.000 0.356 79 Q N -0.366 119.447 119.800 0.021 0.000 2.155 79 Q HA 0.301 4.641 4.340 0.000 0.000 0.220 79 Q C 1.651 177.667 176.000 0.027 0.000 0.819 79 Q CA -0.310 55.505 55.803 0.020 0.000 1.032 79 Q CB 0.374 29.126 28.738 0.023 0.000 1.151 79 Q HN 0.514 nan 8.270 nan 0.000 0.487 80 L N 1.161 122.400 121.223 0.027 0.000 1.955 80 L HA -0.161 4.180 4.340 0.000 0.000 0.213 80 L C 2.310 179.197 176.870 0.029 0.000 1.072 80 L CA 1.825 56.684 54.840 0.032 0.000 0.755 80 L CB -0.059 42.014 42.059 0.024 0.000 0.888 80 L HN 0.353 nan 8.230 nan 0.000 0.432 81 E N -0.380 119.830 120.200 0.017 0.000 2.478 81 E HA -0.228 4.122 4.350 0.000 0.000 0.198 81 E C 1.635 178.235 176.600 0.000 0.000 1.046 81 E CA 0.381 56.787 56.400 0.010 0.000 0.870 81 E CB 0.241 29.943 29.700 0.004 0.000 0.818 81 E HN 0.516 nan 8.360 nan 0.000 0.527 82 E N -0.146 120.055 120.200 0.002 0.000 2.435 82 E HA -0.011 4.339 4.350 0.000 0.000 0.195 82 E C 1.149 177.740 176.600 -0.015 0.000 1.029 82 E CA -0.036 56.359 56.400 -0.009 0.000 0.865 82 E CB 0.352 30.049 29.700 -0.006 0.000 0.833 82 E HN 0.231 nan 8.360 nan 0.000 0.510 83 I N -0.824 119.750 120.570 0.006 0.000 6.837 83 I HA 0.192 4.363 4.170 0.000 0.000 0.213 83 I C 1.727 177.818 176.117 -0.044 0.000 0.831 83 I CA -0.027 61.278 61.300 0.009 0.000 1.820 83 I CB -0.581 37.478 38.000 0.098 0.000 1.326 83 I HN -0.050 nan 8.210 nan 0.000 0.474 84 G N -0.719 108.086 108.800 0.008 0.000 3.086 84 G HA2 0.480 4.440 3.960 0.000 0.000 0.159 84 G HA3 0.480 4.440 3.960 0.000 0.000 0.159 84 G C 0.193 175.126 174.900 0.055 0.000 1.654 84 G CA 0.295 45.404 45.100 0.015 0.000 1.078 84 G HN 0.664 nan 8.290 nan 0.000 0.558 85 G N -1.821 107.030 108.800 0.085 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 1.212 176.148 174.900 0.059 0.000 1.265 85 G CA 0.809 45.941 45.100 0.053 0.000 0.981 85 G HN 1.075 nan 8.290 nan 0.000 0.601 86 V N -1.364 118.564 119.914 0.023 0.000 2.970 86 V HA -0.012 4.109 4.120 0.000 0.000 0.260 86 V C 2.448 178.533 176.094 -0.015 0.000 1.100 86 V CA 2.127 64.421 62.300 -0.010 0.000 1.122 86 V CB -0.532 31.271 31.823 -0.034 0.000 0.721 86 V HN 0.392 nan 8.190 nan 0.000 0.483 87 S N 0.225 115.938 115.700 0.023 0.000 2.359 87 S HA -0.248 4.222 4.470 0.000 0.000 0.223 87 S C 1.816 176.458 174.600 0.071 0.000 1.039 87 S CA 2.355 60.577 58.200 0.035 0.000 1.042 87 S CB -0.684 62.550 63.200 0.056 0.000 0.915 87 S HN 0.770 nan 8.310 nan 0.000 0.439 88 Y N 1.984 122.278 120.300 -0.011 0.000 2.242 88 Y HA 0.007 4.558 4.550 0.000 0.000 0.291 88 Y C 1.934 177.831 175.900 -0.004 0.000 1.137 88 Y CA 0.907 59.012 58.100 0.009 0.000 1.181 88 Y CB -0.396 38.087 38.460 0.037 0.000 0.989 88 Y HN 0.150 nan 8.280 nan 0.000 0.527 89 L N -1.506 119.704 121.223 -0.020 0.000 2.093 89 L HA -0.230 4.110 4.340 0.000 0.000 0.208 89 L C 2.541 179.192 176.870 -0.365 0.000 1.085 89 L CA 1.508 56.248 54.840 -0.166 0.000 0.755 89 L CB -0.672 41.291 42.059 -0.161 0.000 0.904 89 L HN 0.114 nan 8.230 nan 0.000 0.435 90 S N -0.611 114.936 115.700 -0.255 0.000 2.357 90 S HA -0.168 4.302 4.470 0.000 0.000 0.221 90 S C 1.797 176.292 174.600 -0.175 0.000 1.031 90 S CA 0.951 59.012 58.200 -0.231 0.000 0.982 90 S CB -0.051 63.062 63.200 -0.146 0.000 0.853 90 S HN 0.368 nan 8.310 nan 0.000 0.458 91 E N 0.723 120.839 120.200 -0.141 0.000 2.065 91 E HA -0.216 4.134 4.350 0.000 0.000 0.201 91 E C 2.001 178.498 176.600 -0.172 0.000 1.016 91 E CA 1.430 57.754 56.400 -0.127 0.000 0.818 91 E CB -0.338 29.308 29.700 -0.091 0.000 0.749 91 E HN 0.419 nan 8.360 nan 0.000 0.453 92 L N 0.155 121.216 121.223 -0.271 0.000 2.017 92 L HA -0.200 4.140 4.340 0.000 0.000 0.208 92 L C 2.609 179.457 176.870 -0.036 0.000 1.073 92 L CA 1.098 55.827 54.840 -0.185 0.000 0.745 92 L CB -0.521 41.430 42.059 -0.180 0.000 0.894 92 L HN 0.149 nan 8.230 nan 0.000 0.432 93 A N -0.033 122.756 122.820 -0.051 0.000 1.877 93 A HA -0.232 4.088 4.320 0.000 0.000 0.216 93 A C 1.967 179.533 177.584 -0.030 0.000 1.186 93 A CA 2.094 54.118 52.037 -0.022 0.000 0.620 93 A CB -0.550 18.314 19.000 -0.226 0.000 0.822 93 A HN 0.389 nan 8.150 nan 0.000 0.443 94 D N -0.293 120.069 120.400 -0.065 0.000 2.277 94 D HA 0.090 4.730 4.640 0.000 0.000 0.208 94 D C 2.112 178.397 176.300 -0.025 0.000 0.962 94 D CA 1.142 55.116 54.000 -0.043 0.000 0.865 94 D CB -0.200 40.570 40.800 -0.050 0.000 0.939 94 D HN 0.443 nan 8.370 nan 0.000 0.510 95 A N 0.746 123.548 122.820 -0.031 0.000 1.872 95 A HA -0.021 4.300 4.320 0.000 0.000 0.214 95 A C 1.390 178.970 177.584 -0.005 0.000 1.187 95 A CA 0.343 52.370 52.037 -0.018 0.000 0.614 95 A CB -0.328 18.654 19.000 -0.030 0.000 0.826 95 A HN 0.070 nan 8.150 nan 0.000 0.442 96 V N 2.248 122.160 119.914 -0.004 0.000 2.529 96 V HA 0.078 4.199 4.120 0.000 0.000 0.292 96 V C -0.884 175.223 176.094 0.021 0.000 1.028 96 V CA -0.274 62.031 62.300 0.008 0.000 1.074 96 V CB 0.991 32.819 31.823 0.008 0.000 0.958 96 V HN 0.488 nan 8.190 nan 0.000 0.481 97 P HA 0.088 nan 4.420 nan 0.000 0.228 97 P C 0.459 177.779 177.300 0.034 0.000 1.166 97 P CA 0.605 63.723 63.100 0.030 0.000 0.812 97 P CB 0.606 32.326 31.700 0.034 0.000 0.857 98 T N -1.622 112.961 114.554 0.048 0.000 2.853 98 T HA 0.649 5.000 4.350 0.000 0.000 0.311 98 T C -1.560 173.181 174.700 0.068 0.000 1.307 98 T CA -0.254 61.875 62.100 0.049 0.000 1.019 98 T CB 1.164 70.055 68.868 0.038 0.000 1.264 98 T HN -0.133 nan 8.240 nan 0.000 0.497 99 A N 1.273 124.127 122.820 0.056 0.000 2.812 99 A HA 0.711 5.031 4.320 0.000 0.000 0.294 99 A C 1.176 178.794 177.584 0.055 0.000 1.014 99 A CA 0.440 52.518 52.037 0.069 0.000 1.024 99 A CB -0.456 18.577 19.000 0.055 0.000 1.162 99 A HN 1.018 nan 8.150 nan 0.000 0.511 100 A N -0.158 122.685 122.820 0.039 0.000 2.169 100 A HA 0.091 4.411 4.320 0.000 0.000 0.210 100 A C 1.671 179.250 177.584 -0.007 0.000 1.168 100 A CA 0.765 52.807 52.037 0.008 0.000 0.813 100 A CB -0.150 18.839 19.000 -0.018 0.000 0.861 100 A HN 0.517 nan 8.150 nan 0.000 0.481 101 N N 0.537 119.247 118.700 0.018 0.000 2.143 101 N HA -0.048 4.692 4.740 0.000 0.000 0.190 101 N C 1.656 177.271 175.510 0.174 0.000 1.058 101 N CA 1.927 54.961 53.050 -0.027 0.000 0.860 101 N CB -0.764 37.732 38.487 0.015 0.000 1.044 101 N HN 0.185 nan 8.380 nan 0.000 0.445 102 V N 1.002 121.118 119.914 0.336 0.000 0.549 102 V HA -0.354 3.766 4.120 0.000 0.000 0.090 102 V C 1.231 177.527 176.094 0.337 0.000 2.287 102 V CA 2.617 65.112 62.300 0.326 0.000 3.570 102 V CB -1.606 30.331 31.823 0.189 0.000 0.916 102 V HN 0.748 nan 8.190 nan 0.000 0.926 103 E N -1.107 119.262 120.200 0.282 0.000 2.405 103 E HA 0.528 4.878 4.350 0.000 0.000 0.214 103 E C 0.041 176.745 176.600 0.173 0.000 1.101 103 E CA -0.247 56.273 56.400 0.200 0.000 1.254 103 E CB 0.212 29.989 29.700 0.128 0.000 1.240 103 E HN 0.740 nan 8.360 nan 0.000 0.439 104 Y N -1.641 118.659 120.300 0.000 0.000 1.726 104 Y HA 0.035 4.585 4.550 0.000 0.000 0.244 104 Y C -0.011 175.852 175.900 -0.061 0.000 1.594 104 Y CA -0.205 57.880 58.100 -0.026 0.000 1.055 104 Y CB -0.062 38.321 38.460 -0.130 0.000 4.837 104 Y HN 0.013 nan 8.280 nan 0.000 0.127 105 Y N -1.243 118.666 120.300 -0.651 0.000 2.740 105 Y HA -0.548 4.003 4.550 0.000 0.000 0.477 105 Y C 2.041 177.861 175.900 -0.134 0.000 1.087 105 Y CA 1.137 59.176 58.100 -0.102 0.000 2.923 105 Y CB -2.023 36.554 38.460 0.194 0.000 1.083 105 Y HN 0.559 nan 8.280 nan 0.000 0.601 106 A N 0.196 123.087 122.820 0.119 0.000 1.873 106 A HA -0.265 4.056 4.320 0.000 0.000 0.218 106 A C 1.843 179.368 177.584 -0.098 0.000 1.193 106 A CA 2.550 54.579 52.037 -0.013 0.000 0.629 106 A CB -0.807 18.221 19.000 0.047 0.000 0.826 106 A HN 0.585 nan 8.150 nan 0.000 0.447 107 R N -0.755 119.681 120.500 -0.107 0.000 2.096 107 R HA -0.052 4.288 4.340 0.000 0.000 0.235 107 R C 1.979 178.173 176.300 -0.177 0.000 1.127 107 R CA 1.528 57.543 56.100 -0.143 0.000 0.968 107 R CB -0.407 29.803 30.300 -0.150 0.000 0.861 107 R HN 0.649 nan 8.270 nan 0.000 0.440 108 I N -0.464 119.973 120.570 -0.222 0.000 2.133 108 I HA -0.268 3.903 4.170 0.000 0.000 0.238 108 I C 2.089 178.121 176.117 -0.142 0.000 1.074 108 I CA 1.101 62.293 61.300 -0.180 0.000 1.342 108 I CB -0.281 37.620 38.000 -0.166 0.000 1.053 108 I HN -0.023 nan 8.210 nan 0.000 0.404 109 V N 0.719 120.538 119.914 -0.158 0.000 2.282 109 V HA -0.342 3.779 4.120 0.000 0.000 0.249 109 V C 2.525 178.489 176.094 -0.216 0.000 1.057 109 V CA 2.177 64.343 62.300 -0.224 0.000 1.032 109 V CB -0.792 30.783 31.823 -0.413 0.000 0.645 109 V HN 0.503 nan 8.190 nan 0.000 0.447 110 E N -0.021 120.058 120.200 -0.203 0.000 2.085 110 E HA -0.269 4.082 4.350 0.000 0.000 0.194 110 E C 2.239 178.769 176.600 -0.116 0.000 0.994 110 E CA 1.799 58.105 56.400 -0.157 0.000 0.801 110 E CB -0.035 29.590 29.700 -0.125 0.000 0.743 110 E HN 0.733 nan 8.360 nan 0.000 0.453 111 E N 0.056 120.189 120.200 -0.112 0.000 2.017 111 E HA -0.170 4.180 4.350 0.000 0.000 0.193 111 E C 2.105 178.653 176.600 -0.086 0.000 0.997 111 E CA 0.968 57.314 56.400 -0.091 0.000 0.804 111 E CB 0.039 29.683 29.700 -0.093 0.000 0.757 111 E HN 0.066 nan 8.360 nan 0.000 0.448 112 K N 0.595 120.938 120.400 -0.096 0.000 2.281 112 K HA -0.101 4.219 4.320 0.000 0.000 0.203 112 K C 2.171 178.721 176.600 -0.083 0.000 1.046 112 K CA 0.646 56.878 56.287 -0.092 0.000 0.938 112 K CB -0.395 32.046 32.500 -0.100 0.000 0.737 112 K HN 0.005 nan 8.250 nan 0.000 0.458 113 S N 0.739 116.389 115.700 -0.083 0.000 2.357 113 S HA -0.087 4.384 4.470 0.000 0.000 0.221 113 S C 2.107 176.680 174.600 -0.045 0.000 1.031 113 S CA 0.992 59.157 58.200 -0.059 0.000 0.982 113 S CB -0.156 62.997 63.200 -0.077 0.000 0.853 113 S HN 0.029 nan 8.310 nan 0.000 0.458 114 V N 2.420 122.303 119.914 -0.052 0.000 2.282 114 V HA -0.208 3.912 4.120 0.000 0.000 0.249 114 V C 2.490 178.562 176.094 -0.038 0.000 1.057 114 V CA 2.159 64.434 62.300 -0.042 0.000 1.032 114 V CB -0.768 31.028 31.823 -0.045 0.000 0.645 114 V HN 0.495 nan 8.190 nan 0.000 0.447 115 L N -0.799 120.396 121.223 -0.047 0.000 2.042 115 L HA -0.213 4.127 4.340 0.000 0.000 0.210 115 L C 2.765 179.610 176.870 -0.041 0.000 1.076 115 L CA 1.708 56.520 54.840 -0.046 0.000 0.749 115 L CB -0.563 41.461 42.059 -0.058 0.000 0.893 115 L HN 0.244 nan 8.230 nan 0.000 0.432 116 R N -0.631 119.844 120.500 -0.042 0.000 2.148 116 R HA -0.094 4.246 4.340 0.000 0.000 0.227 116 R C 2.387 178.682 176.300 -0.008 0.000 1.103 116 R CA 0.848 56.932 56.100 -0.026 0.000 0.983 116 R CB -0.101 30.193 30.300 -0.010 0.000 0.874 116 R HN 0.367 nan 8.270 nan 0.000 0.451 117 R N 0.103 120.597 120.500 -0.011 0.000 2.075 117 R HA -0.053 4.288 4.340 0.000 0.000 0.226 117 R C 2.203 178.498 176.300 -0.008 0.000 1.114 117 R CA 0.614 56.710 56.100 -0.006 0.000 0.972 117 R CB -0.282 30.013 30.300 -0.008 0.000 0.869 117 R HN 0.063 nan 8.270 nan 0.000 0.437 118 L N 1.491 122.705 121.223 -0.015 0.000 1.970 118 L HA -0.202 4.138 4.340 0.000 0.000 0.212 118 L C 2.051 178.915 176.870 -0.011 0.000 1.071 118 L CA 1.776 56.608 54.840 -0.014 0.000 0.751 118 L CB -0.484 41.563 42.059 -0.020 0.000 0.889 118 L HN 0.131 nan 8.230 nan 0.000 0.432 119 I N -0.854 119.708 120.570 -0.013 0.000 2.118 119 I HA -0.391 3.779 4.170 0.000 0.000 0.241 119 I C 2.773 178.889 176.117 -0.001 0.000 1.070 119 I CA 1.791 63.086 61.300 -0.009 0.000 1.327 119 I CB -0.417 37.573 38.000 -0.016 0.000 1.034 119 I HN 0.357 nan 8.210 nan 0.000 0.405 120 R N 0.630 121.131 120.500 0.002 0.000 2.080 120 R HA -0.211 4.129 4.340 0.000 0.000 0.236 120 R C 2.447 178.752 176.300 0.008 0.000 1.137 120 R CA 2.549 58.654 56.100 0.008 0.000 0.943 120 R CB -0.419 29.888 30.300 0.012 0.000 0.846 120 R HN 0.526 nan 8.270 nan 0.000 0.431 121 T N -2.192 112.364 114.554 0.004 0.000 2.951 121 T HA 0.071 4.422 4.350 0.000 0.000 0.268 121 T C 1.865 176.567 174.700 0.003 0.000 1.073 121 T CA 0.851 62.953 62.100 0.003 0.000 1.134 121 T CB -0.074 68.794 68.868 -0.001 0.000 0.884 121 T HN 0.329 nan 8.240 nan 0.000 0.479 122 A N 1.778 124.600 122.820 0.002 0.000 1.872 122 A HA 0.045 4.365 4.320 0.000 0.000 0.214 122 A C 2.612 180.203 177.584 0.012 0.000 1.187 122 A CA 1.786 53.825 52.037 0.003 0.000 0.614 122 A CB -1.308 17.692 19.000 -0.000 0.000 0.826 122 A HN 0.515 nan 8.150 nan 0.000 0.442 123 T N -0.430 114.133 114.554 0.015 0.000 2.867 123 T HA -0.109 4.242 4.350 0.000 0.000 0.268 123 T C 2.182 176.902 174.700 0.033 0.000 1.057 123 T CA 1.573 63.688 62.100 0.026 0.000 1.136 123 T CB -0.278 68.603 68.868 0.021 0.000 0.874 123 T HN 0.478 nan 8.240 nan 0.000 0.466 124 S N 0.450 116.165 115.700 0.024 0.000 2.419 124 S HA -0.014 4.456 4.470 0.000 0.000 0.233 124 S C 1.942 176.558 174.600 0.026 0.000 1.016 124 S CA 0.679 58.894 58.200 0.025 0.000 0.974 124 S CB -0.452 62.758 63.200 0.016 0.000 0.786 124 S HN 0.464 nan 8.310 nan 0.000 0.492 125 I N 1.061 121.642 120.570 0.018 0.000 2.233 125 I HA -0.069 4.101 4.170 0.000 0.000 0.243 125 I C 2.794 178.919 176.117 0.013 0.000 1.093 125 I CA 0.966 62.270 61.300 0.008 0.000 1.380 125 I CB -0.598 37.400 38.000 -0.004 0.000 1.067 125 I HN 0.352 nan 8.210 nan 0.000 0.413 126 A N 0.558 123.399 122.820 0.034 0.000 1.858 126 A HA -0.313 4.007 4.320 0.000 0.000 0.216 126 A C 2.228 179.918 177.584 0.177 0.000 1.190 126 A CA 2.159 54.240 52.037 0.072 0.000 0.617 126 A CB -0.848 18.213 19.000 0.102 0.000 0.827 126 A HN 0.444 nan 8.150 nan 0.000 0.443 127 Q N 0.282 120.178 119.800 0.159 0.000 2.133 127 Q HA -0.256 4.085 4.340 0.000 0.000 0.208 127 Q C 1.229 177.338 176.000 0.181 0.000 0.991 127 Q CA 2.576 58.483 55.803 0.175 0.000 0.867 127 Q CB -0.651 28.137 28.738 0.084 0.000 0.911 127 Q HN 0.621 nan 8.270 nan 0.000 0.417 128 D N -1.122 119.335 120.400 0.095 0.000 2.269 128 D HA 0.021 4.661 4.640 0.000 0.000 0.208 128 D C 1.554 177.865 176.300 0.018 0.000 0.963 128 D CA 1.124 55.156 54.000 0.054 0.000 0.864 128 D CB -0.456 40.358 40.800 0.022 0.000 0.936 128 D HN 0.508 nan 8.370 nan 0.000 0.505 129 G N -0.685 108.089 108.800 -0.043 0.000 2.448 129 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 129 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 129 G C 0.936 175.652 174.900 -0.307 0.000 1.127 129 G CA 0.645 45.605 45.100 -0.233 0.000 0.766 129 G HN 0.330 nan 8.290 nan 0.000 0.552 130 Y N 0.430 120.729 120.300 -0.001 0.000 2.503 130 Y HA 0.091 4.641 4.550 0.000 0.000 0.277 130 Y C 3.039 178.938 175.900 -0.001 0.000 1.102 130 Y CA 1.107 59.206 58.100 -0.001 0.000 1.261 130 Y CB -0.144 38.315 38.460 -0.001 0.000 1.096 130 Y HN 0.206 nan 8.280 nan 0.000 0.546 131 T N -1.806 112.834 114.554 0.145 0.000 3.067 131 T HA 0.182 4.532 4.350 0.000 0.000 0.257 131 T C 1.172 175.899 174.700 0.045 0.000 1.105 131 T CA 0.128 62.279 62.100 0.084 0.000 1.104 131 T CB 0.112 69.022 68.868 0.070 0.000 0.925 131 T HN 0.089 nan 8.240 nan 0.000 0.498 132 R N 0.653 121.170 120.500 0.028 0.000 1.734 132 R HA 0.580 4.920 4.340 0.000 0.000 0.117 132 R C 0.720 177.023 176.300 0.005 0.000 1.243 132 R CA -0.457 55.649 56.100 0.010 0.000 1.776 132 R CB 0.119 30.418 30.300 -0.001 0.000 1.324 132 R HN 0.195 nan 8.270 nan 0.000 0.640 133 E N -1.633 118.563 120.200 -0.008 0.000 3.789 133 E HA -0.158 4.192 4.350 0.000 0.000 0.395 133 E C -0.612 175.983 176.600 -0.009 0.000 0.487 133 E CA 0.540 56.933 56.400 -0.012 0.000 1.759 133 E CB -0.388 29.310 29.700 -0.004 0.000 1.946 133 E HN 0.616 nan 8.360 nan 0.000 0.471 134 D N -0.911 119.486 120.400 -0.004 0.000 4.086 134 D HA -0.208 4.433 4.640 0.000 0.000 0.197 134 D C 1.087 177.384 176.300 -0.004 0.000 1.042 134 D CA 2.441 56.440 54.000 -0.002 0.000 2.327 134 D CB -1.038 39.764 40.800 0.002 0.000 1.166 134 D HN 0.362 nan 8.370 nan 0.000 0.431 135 E N -0.343 119.852 120.200 -0.008 0.000 2.279 135 E HA 0.223 4.573 4.350 0.000 0.000 0.199 135 E C 1.617 178.210 176.600 -0.013 0.000 0.893 135 E CA 0.390 56.785 56.400 -0.009 0.000 0.978 135 E CB 1.015 30.710 29.700 -0.008 0.000 0.964 135 E HN 0.335 nan 8.360 nan 0.000 0.486 136 I N 1.184 121.742 120.570 -0.019 0.000 4.374 136 I HA -0.505 3.665 4.170 0.000 0.000 0.078 136 I C 1.204 177.309 176.117 -0.019 0.000 0.592 136 I CA 2.285 63.571 61.300 -0.023 0.000 0.987 136 I CB -1.904 36.084 38.000 -0.021 0.000 0.884 136 I HN 0.231 nan 8.210 nan 0.000 0.180 137 D N 1.039 121.430 120.400 -0.014 0.000 2.137 137 D HA 0.054 4.694 4.640 0.000 0.000 0.202 137 D C 2.279 178.573 176.300 -0.011 0.000 0.970 137 D CA 1.561 55.555 54.000 -0.011 0.000 0.837 137 D CB -0.066 40.729 40.800 -0.008 0.000 0.981 137 D HN 0.424 nan 8.370 nan 0.000 0.475 138 V N 1.523 121.431 119.914 -0.009 0.000 2.427 138 V HA -0.159 3.962 4.120 0.000 0.000 0.248 138 V C 2.646 178.733 176.094 -0.010 0.000 1.051 138 V CA 0.894 63.189 62.300 -0.008 0.000 1.048 138 V CB -0.425 31.395 31.823 -0.006 0.000 0.666 138 V HN 0.152 nan 8.190 nan 0.000 0.456 139 L N -0.916 120.299 121.223 -0.014 0.000 2.131 139 L HA -0.141 4.200 4.340 0.000 0.000 0.210 139 L C 2.258 179.116 176.870 -0.020 0.000 1.092 139 L CA 1.513 56.342 54.840 -0.018 0.000 0.759 139 L CB -0.059 41.984 42.059 -0.027 0.000 0.903 139 L HN 0.314 nan 8.230 nan 0.000 0.435 140 L N -1.297 119.914 121.223 -0.019 0.000 2.307 140 L HA -0.102 4.239 4.340 0.000 0.000 0.211 140 L C 1.886 178.747 176.870 -0.015 0.000 1.099 140 L CA 0.449 55.278 54.840 -0.019 0.000 0.816 140 L CB -0.165 41.883 42.059 -0.018 0.000 0.952 140 L HN 0.227 nan 8.230 nan 0.000 0.455 141 D N 0.041 120.434 120.400 -0.013 0.000 2.144 141 D HA -0.164 4.476 4.640 0.000 0.000 0.207 141 D C 1.635 177.928 176.300 -0.011 0.000 0.970 141 D CA 1.105 55.098 54.000 -0.011 0.000 0.853 141 D CB 0.006 40.800 40.800 -0.010 0.000 1.007 141 D HN 0.435 nan 8.370 nan 0.000 0.469 142 E N 0.503 120.698 120.200 -0.010 0.000 2.520 142 E HA 0.077 4.427 4.350 0.000 0.000 0.201 142 E C 1.057 177.652 176.600 -0.009 0.000 1.122 142 E CA 0.314 56.709 56.400 -0.008 0.000 0.896 142 E CB 0.111 29.808 29.700 -0.006 0.000 0.891 142 E HN 0.095 nan 8.360 nan 0.000 0.533 143 A N 0.554 123.367 122.820 -0.012 0.000 2.288 143 A HA 0.061 4.381 4.320 0.000 0.000 0.216 143 A C 1.267 178.843 177.584 -0.013 0.000 1.199 143 A CA 0.224 52.254 52.037 -0.013 0.000 0.891 143 A CB 0.372 19.362 19.000 -0.017 0.000 0.923 143 A HN 0.145 nan 8.150 nan 0.000 0.500 144 D N -0.164 120.228 120.400 -0.013 0.000 2.290 144 D HA -0.037 4.603 4.640 0.000 0.000 0.224 144 D C 2.016 178.308 176.300 -0.013 0.000 0.967 144 D CA 0.789 54.781 54.000 -0.014 0.000 0.893 144 D CB -0.376 40.416 40.800 -0.014 0.000 1.037 144 D HN 0.394 nan 8.370 nan 0.000 0.477 145 R N 1.517 122.010 120.500 -0.012 0.000 2.113 145 R HA -0.184 4.156 4.340 0.000 0.000 0.244 145 R C 1.848 178.142 176.300 -0.009 0.000 1.142 145 R CA 1.569 57.662 56.100 -0.011 0.000 0.953 145 R CB 0.042 30.336 30.300 -0.009 0.000 0.860 145 R HN 0.063 nan 8.270 nan 0.000 0.438 146 K N -0.177 120.218 120.400 -0.008 0.000 2.103 146 K HA -0.044 4.276 4.320 0.000 0.000 0.204 146 K C 2.055 178.650 176.600 -0.007 0.000 1.052 146 K CA 0.792 57.076 56.287 -0.006 0.000 0.945 146 K CB 0.014 32.512 32.500 -0.004 0.000 0.722 146 K HN 0.250 nan 8.250 nan 0.000 0.443 147 I N 1.072 121.637 120.570 -0.009 0.000 2.761 147 I HA -0.132 4.038 4.170 0.000 0.000 0.261 147 I C 1.861 177.971 176.117 -0.012 0.000 1.198 147 I CA 0.933 62.227 61.300 -0.011 0.000 1.482 147 I CB -0.202 37.791 38.000 -0.012 0.000 1.100 147 I HN 0.236 nan 8.210 nan 0.000 0.445 148 M N 0.069 119.661 119.600 -0.012 0.000 2.419 148 M HA -0.026 4.454 4.480 0.000 0.000 0.264 148 M C 0.838 177.131 176.300 -0.012 0.000 1.082 148 M CA 0.798 56.090 55.300 -0.014 0.000 1.119 148 M CB -0.656 31.935 32.600 -0.015 0.000 1.398 148 M HN 0.139 nan 8.290 nan 0.000 0.453 184 T N 2.023 116.572 114.554 -0.008 0.000 2.623 184 T HA 0.535 4.885 4.350 0.000 0.000 0.254 184 T C 0.912 175.616 174.700 0.008 0.000 1.075 184 T CA 1.165 63.267 62.100 0.002 0.000 1.177 184 T CB 0.205 69.077 68.868 0.007 0.000 0.869 184 T HN 1.212 nan 8.240 nan 0.000 0.403 185 G N 0.439 109.249 108.800 0.016 0.000 2.332 185 G HA2 0.383 4.344 3.960 0.000 0.000 0.265 185 G HA3 0.383 4.344 3.960 0.000 0.000 0.265 185 G C -2.004 172.922 174.900 0.042 0.000 1.329 185 G CA -0.587 44.529 45.100 0.026 0.000 0.949 185 G HN 0.650 nan 8.290 nan 0.000 0.476 186 I N 1.926 122.536 120.570 0.065 0.000 2.563 186 I HA 0.336 4.507 4.170 0.000 0.000 0.285 186 I C -2.366 173.792 176.117 0.068 0.000 1.123 186 I CA -1.776 59.571 61.300 0.078 0.000 1.059 186 I CB 3.070 41.140 38.000 0.115 0.000 1.229 186 I HN 0.235 nan 8.210 nan 0.000 0.442 187 P HA 0.066 nan 4.420 nan 0.000 0.263 187 P C 1.098 178.361 177.300 -0.062 0.000 1.601 187 P CA -0.060 63.018 63.100 -0.036 0.000 1.161 187 P CB -0.035 31.642 31.700 -0.039 0.000 1.730 188 T N 0.548 115.077 114.554 -0.043 0.000 3.524 188 T HA -0.379 3.971 4.350 0.000 0.000 0.230 188 T C 1.632 176.078 174.700 -0.423 0.000 0.956 188 T CA 2.115 64.149 62.100 -0.110 0.000 1.231 188 T CB -1.811 66.983 68.868 -0.124 0.000 0.752 188 T HN 0.588 nan 8.240 nan 0.000 0.540 189 G N 0.925 109.517 108.800 -0.348 0.000 2.284 189 G HA2 -0.229 3.731 3.960 0.000 0.000 0.247 189 G HA3 -0.229 3.731 3.960 0.000 0.000 0.247 189 G C 0.099 174.785 174.900 -0.357 0.000 1.012 189 G CA 0.108 44.936 45.100 -0.453 0.000 0.618 189 G HN 0.745 nan 8.290 nan 0.000 0.521 190 F N 1.819 121.803 119.950 0.056 0.000 2.388 190 F HA 0.475 5.003 4.527 0.000 0.000 0.358 190 F C 1.828 177.647 175.800 0.031 0.000 1.122 190 F CA -0.399 57.641 58.000 0.067 0.000 1.056 190 F CB 1.613 40.681 39.000 0.115 0.000 1.155 190 F HN -0.020 nan 8.300 nan 0.000 0.461 191 T N 0.680 115.359 114.554 0.208 0.000 2.570 191 T HA -0.289 4.062 4.350 0.000 0.000 0.266 191 T C 1.442 176.189 174.700 0.079 0.000 1.071 191 T CA 2.121 64.285 62.100 0.107 0.000 1.172 191 T CB -0.289 68.632 68.868 0.089 0.000 0.864 191 T HN 0.760 nan 8.240 nan 0.000 0.421 192 E N 0.893 121.146 120.200 0.087 0.000 2.437 192 E HA 0.189 4.539 4.350 0.000 0.000 0.189 192 E C 1.674 178.303 176.600 0.048 0.000 1.054 192 E CA -0.081 56.351 56.400 0.053 0.000 0.874 192 E CB -0.088 29.638 29.700 0.043 0.000 1.011 192 E HN 0.295 nan 8.360 nan 0.000 0.474 193 L N 0.999 122.267 121.223 0.075 0.000 2.298 193 L HA 0.116 4.456 4.340 0.000 0.000 0.209 193 L C 1.088 177.927 176.870 -0.050 0.000 1.084 193 L CA 1.370 56.235 54.840 0.041 0.000 0.816 193 L CB 0.194 42.338 42.059 0.141 0.000 0.967 193 L HN -0.083 nan 8.230 nan 0.000 0.460 194 D N -0.391 119.987 120.400 -0.036 0.000 2.178 194 D HA -0.124 4.516 4.640 0.000 0.000 0.201 194 D C 2.180 178.445 176.300 -0.057 0.000 0.980 194 D CA 1.051 55.006 54.000 -0.076 0.000 0.842 194 D CB 0.062 40.838 40.800 -0.040 0.000 0.948 194 D HN 0.316 nan 8.370 nan 0.000 0.472 195 R N -0.394 120.090 120.500 -0.027 0.000 2.075 195 R HA 0.164 4.504 4.340 0.000 0.000 0.226 195 R C 2.105 178.392 176.300 -0.022 0.000 1.114 195 R CA 0.601 56.691 56.100 -0.018 0.000 0.972 195 R CB -0.143 30.155 30.300 -0.002 0.000 0.869 195 R HN 0.224 nan 8.270 nan 0.000 0.437 196 M N 0.373 119.958 119.600 -0.024 0.000 2.562 196 M HA -0.038 4.442 4.480 0.000 0.000 0.257 196 M C 1.424 177.703 176.300 -0.035 0.000 1.099 196 M CA 1.286 56.573 55.300 -0.020 0.000 1.099 196 M CB 0.215 32.809 32.600 -0.010 0.000 1.427 196 M HN 0.290 nan 8.290 nan 0.000 0.489 197 T N -5.751 108.762 114.554 -0.067 0.000 3.115 197 T HA 0.169 4.519 4.350 0.000 0.000 0.256 197 T C 0.741 175.391 174.700 -0.085 0.000 0.970 197 T CA 0.259 62.303 62.100 -0.093 0.000 1.010 197 T CB 0.198 68.948 68.868 -0.196 0.000 1.151 197 T HN 0.128 nan 8.240 nan 0.000 0.479 198 S N 1.278 116.923 115.700 -0.092 0.000 3.791 198 S HA 0.256 4.726 4.470 0.000 0.000 0.393 198 S C 0.860 175.419 174.600 -0.068 0.000 0.936 198 S CA 0.993 59.154 58.200 -0.064 0.000 1.234 198 S CB -1.923 61.259 63.200 -0.031 0.000 0.891 198 S HN 1.993 nan 8.310 nan 0.000 0.519 199 G N 0.493 109.214 108.800 -0.132 0.000 2.627 199 G HA2 0.212 4.172 3.960 0.000 0.000 0.214 199 G HA3 0.212 4.172 3.960 0.000 0.000 0.214 199 G C -0.545 174.192 174.900 -0.272 0.000 1.331 199 G CA -0.136 44.899 45.100 -0.108 0.000 0.891 199 G HN 1.532 nan 8.290 nan 0.000 0.539 200 F N -0.820 119.132 119.950 0.002 0.000 2.184 200 F HA -0.059 4.469 4.527 0.000 0.000 0.319 200 F C 0.846 176.641 175.800 -0.008 0.000 1.088 200 F CA 0.994 58.989 58.000 -0.008 0.000 1.118 200 F CB -2.080 36.908 39.000 -0.020 0.000 1.600 200 F HN 1.109 nan 8.300 nan 0.000 0.769 201 Q N 0.818 120.726 119.800 0.180 0.000 2.496 201 Q HA 0.854 5.194 4.340 0.000 0.000 0.286 201 Q C -0.689 175.351 176.000 0.066 0.000 1.103 201 Q CA -1.542 54.317 55.803 0.093 0.000 0.813 201 Q CB 2.264 31.040 28.738 0.062 0.000 1.444 201 Q HN 0.474 nan 8.270 nan 0.000 0.443 202 R N 0.491 121.015 120.500 0.040 0.000 2.196 202 R HA 0.401 4.741 4.340 0.000 0.000 0.340 202 R C -0.538 175.771 176.300 0.015 0.000 1.043 202 R CA 0.102 56.216 56.100 0.023 0.000 0.883 202 R CB 0.761 31.071 30.300 0.017 0.000 1.078 202 R HN 0.887 nan 8.270 nan 0.000 0.462 203 S N 0.776 116.482 115.700 0.009 0.000 1.875 203 S HA -0.092 4.378 4.470 0.000 0.000 0.246 203 S C -0.937 173.665 174.600 0.003 0.000 1.388 203 S CA 0.069 58.270 58.200 0.003 0.000 1.075 203 S CB -0.513 62.689 63.200 0.004 0.000 1.379 203 S HN 0.689 nan 8.310 nan 0.000 0.641 204 D N 1.360 121.767 120.400 0.012 0.000 2.168 204 D HA 0.576 5.216 4.640 0.000 0.000 0.246 204 D C -0.398 175.899 176.300 -0.004 0.000 1.050 204 D CA -0.364 53.645 54.000 0.017 0.000 0.857 204 D CB 1.135 41.964 40.800 0.049 0.000 1.169 204 D HN 0.205 nan 8.370 nan 0.000 0.453 205 L N 2.779 123.996 121.223 -0.010 0.000 2.264 205 L HA 0.492 4.832 4.340 0.000 0.000 0.289 205 L C -1.269 175.587 176.870 -0.023 0.000 1.044 205 L CA -0.198 54.623 54.840 -0.030 0.000 0.807 205 L CB 0.476 42.517 42.059 -0.031 0.000 1.192 205 L HN 0.332 nan 8.230 nan 0.000 0.425 206 I N 6.825 127.364 120.570 -0.051 0.000 2.359 206 I HA 0.357 4.527 4.170 0.000 0.000 0.284 206 I C -0.175 175.909 176.117 -0.054 0.000 1.018 206 I CA -0.184 61.097 61.300 -0.031 0.000 1.173 206 I CB 1.281 39.249 38.000 -0.052 0.000 1.326 206 I HN 0.583 nan 8.210 nan 0.000 0.462 207 I N 7.417 127.955 120.570 -0.053 0.000 2.325 207 I HA 0.362 4.532 4.170 0.000 0.000 0.291 207 I C -0.703 175.354 176.117 -0.100 0.000 1.019 207 I CA -0.407 60.851 61.300 -0.070 0.000 1.302 207 I CB 0.676 38.632 38.000 -0.075 0.000 1.401 207 I HN 0.224 nan 8.210 nan 0.000 0.485 208 V N 8.343 128.231 119.914 -0.043 0.000 2.334 208 V HA 0.634 4.754 4.120 0.000 0.000 0.281 208 V C 0.310 176.396 176.094 -0.014 0.000 1.016 208 V CA -0.454 61.837 62.300 -0.016 0.000 0.832 208 V CB 0.872 32.788 31.823 0.155 0.000 0.999 208 V HN 0.823 nan 8.190 nan 0.000 0.439 209 A N 4.165 126.930 122.820 -0.092 0.000 2.325 209 A HA 1.038 5.358 4.320 0.000 0.000 0.333 209 A C -0.081 177.623 177.584 0.200 0.000 1.155 209 A CA -0.102 51.974 52.037 0.066 0.000 0.814 209 A CB 1.672 20.747 19.000 0.125 0.000 1.206 209 A HN 1.620 nan 8.150 nan 0.000 0.482 210 A N 1.653 124.567 122.820 0.156 0.000 2.594 210 A HA 0.635 4.956 4.320 0.000 0.000 0.296 210 A C -0.471 177.150 177.584 0.061 0.000 1.056 210 A CA -0.818 51.294 52.037 0.124 0.000 0.693 210 A CB 0.836 19.879 19.000 0.071 0.000 1.278 210 A HN 0.807 nan 8.150 nan 0.000 0.408 211 R N 0.593 121.122 120.500 0.048 0.000 2.738 211 R HA 0.304 4.644 4.340 0.000 0.000 0.268 211 R C -2.395 173.893 176.300 -0.021 0.000 1.062 211 R CA -1.179 54.929 56.100 0.013 0.000 1.158 211 R CB -0.220 30.090 30.300 0.015 0.000 1.046 211 R HN 0.416 nan 8.270 nan 0.000 0.493 212 P HA -0.061 nan 4.420 nan 0.000 0.261 212 P C -0.348 176.927 177.300 -0.042 0.000 1.173 212 P CA 0.744 63.809 63.100 -0.058 0.000 0.760 212 P CB 0.424 32.095 31.700 -0.048 0.000 0.783 213 S N 0.486 116.161 115.700 -0.042 0.000 3.682 213 S HA -0.118 4.352 4.470 0.000 0.000 0.354 213 S C 1.008 175.575 174.600 -0.055 0.000 1.034 213 S CA 0.652 58.833 58.200 -0.032 0.000 1.084 213 S CB -1.631 61.556 63.200 -0.021 0.000 0.903 213 S HN 0.365 nan 8.310 nan 0.000 0.470 214 V N -0.761 119.117 119.914 -0.060 0.000 2.949 214 V HA 0.403 4.523 4.120 0.000 0.000 0.245 214 V C 1.720 177.727 176.094 -0.145 0.000 1.086 214 V CA 1.221 63.462 62.300 -0.099 0.000 1.097 214 V CB 0.515 32.305 31.823 -0.056 0.000 0.762 214 V HN 1.190 nan 8.190 nan 0.000 0.470 215 G N 1.157 109.933 108.800 -0.040 0.000 2.192 215 G HA2 -0.132 3.828 3.960 0.000 0.000 0.152 215 G HA3 -0.132 3.828 3.960 0.000 0.000 0.152 215 G C 0.540 175.583 174.900 0.239 0.000 1.057 215 G CA 0.257 45.395 45.100 0.062 0.000 0.748 215 G HN 0.528 nan 8.290 nan 0.000 0.488 216 K N -0.769 119.717 120.400 0.144 0.000 2.097 216 K HA 0.055 4.375 4.320 0.000 0.000 0.205 216 K C 2.107 178.845 176.600 0.230 0.000 1.050 216 K CA 2.200 58.594 56.287 0.179 0.000 0.938 216 K CB -0.521 32.038 32.500 0.098 0.000 0.718 216 K HN 0.182 nan 8.250 nan 0.000 0.442 217 T N 1.116 115.780 114.554 0.184 0.000 2.698 217 T HA -0.028 4.322 4.350 0.000 0.000 0.260 217 T C 2.197 177.040 174.700 0.240 0.000 1.044 217 T CA 1.322 63.528 62.100 0.177 0.000 1.149 217 T CB -0.609 68.343 68.868 0.139 0.000 0.864 217 T HN 0.404 nan 8.240 nan 0.000 0.419 218 A N 1.004 124.013 122.820 0.316 0.000 2.032 218 A HA -0.096 4.224 4.320 0.000 0.000 0.221 218 A C 1.981 179.929 177.584 0.607 0.000 1.165 218 A CA 1.474 53.768 52.037 0.428 0.000 0.645 218 A CB -0.928 18.371 19.000 0.499 0.000 0.807 218 A HN 0.500 nan 8.150 nan 0.000 0.453 219 F N 0.485 120.676 119.950 0.401 0.000 2.187 219 F HA 0.197 4.724 4.527 0.000 0.000 0.295 219 F C 2.403 178.297 175.800 0.156 0.000 1.091 219 F CA 0.745 58.840 58.000 0.157 0.000 1.308 219 F CB -0.601 38.207 39.000 -0.320 0.000 1.030 219 F HN 0.215 nan 8.300 nan 0.000 0.487 220 A N 0.941 123.733 122.820 -0.046 0.000 1.898 220 A HA -0.101 4.220 4.320 0.000 0.000 0.216 220 A C 2.339 179.876 177.584 -0.077 0.000 1.181 220 A CA 1.689 53.622 52.037 -0.173 0.000 0.620 220 A CB -1.223 17.756 19.000 -0.035 0.000 0.819 220 A HN 0.479 nan 8.150 nan 0.000 0.442 221 L N -0.175 121.077 121.223 0.049 0.000 2.042 221 L HA -0.248 4.092 4.340 0.000 0.000 0.210 221 L C 2.417 179.329 176.870 0.069 0.000 1.076 221 L CA 1.669 56.549 54.840 0.067 0.000 0.749 221 L CB -0.634 41.493 42.059 0.114 0.000 0.893 221 L HN 0.530 nan 8.230 nan 0.000 0.432 222 N N -0.018 118.769 118.700 0.144 0.000 2.166 222 N HA -0.163 4.578 4.740 0.000 0.000 0.186 222 N C 1.921 177.446 175.510 0.026 0.000 1.019 222 N CA 1.194 54.355 53.050 0.185 0.000 0.856 222 N CB -0.066 38.700 38.487 0.466 0.000 0.993 222 N HN 0.314 nan 8.380 nan 0.000 0.426 223 I N 1.559 122.088 120.570 -0.068 0.000 2.179 223 I HA -0.241 3.929 4.170 0.000 0.000 0.242 223 I C 2.635 178.689 176.117 -0.106 0.000 1.088 223 I CA 0.852 62.057 61.300 -0.159 0.000 1.357 223 I CB -0.446 37.430 38.000 -0.206 0.000 1.051 223 I HN 0.085 nan 8.210 nan 0.000 0.409 224 A N 0.130 122.900 122.820 -0.083 0.000 1.892 224 A HA -0.333 3.987 4.320 0.000 0.000 0.218 224 A C 2.339 179.902 177.584 -0.036 0.000 1.188 224 A CA 2.243 54.249 52.037 -0.052 0.000 0.631 224 A CB -0.851 18.131 19.000 -0.031 0.000 0.822 224 A HN 0.536 nan 8.150 nan 0.000 0.447 225 Q N -0.430 119.356 119.800 -0.024 0.000 2.046 225 Q HA -0.211 4.129 4.340 0.000 0.000 0.200 225 Q C 1.987 177.966 176.000 -0.036 0.000 0.975 225 Q CA 1.866 57.659 55.803 -0.016 0.000 0.836 225 Q CB -0.231 28.515 28.738 0.013 0.000 0.896 225 Q HN 0.852 nan 8.270 nan 0.000 0.428 226 N N -0.708 117.951 118.700 -0.069 0.000 2.069 226 N HA -0.177 4.563 4.740 0.000 0.000 0.191 226 N C 1.817 177.282 175.510 -0.075 0.000 1.031 226 N CA 1.495 54.484 53.050 -0.101 0.000 0.852 226 N CB -0.027 38.326 38.487 -0.223 0.000 1.018 226 N HN 0.028 nan 8.380 nan 0.000 0.423 227 V N 1.282 121.158 119.914 -0.065 0.000 2.332 227 V HA -0.266 3.854 4.120 0.000 0.000 0.248 227 V C 2.309 178.391 176.094 -0.021 0.000 1.055 227 V CA 2.010 64.290 62.300 -0.033 0.000 1.038 227 V CB -0.952 30.860 31.823 -0.020 0.000 0.651 227 V HN 0.382 nan 8.190 nan 0.000 0.450 228 A N 0.945 123.753 122.820 -0.022 0.000 1.832 228 A HA -0.207 4.113 4.320 0.000 0.000 0.214 228 A C 2.552 180.125 177.584 -0.018 0.000 1.200 228 A CA 2.663 54.691 52.037 -0.015 0.000 0.610 228 A CB -1.244 17.743 19.000 -0.022 0.000 0.842 228 A HN 0.603 nan 8.150 nan 0.000 0.444 229 T N -1.543 112.997 114.554 -0.024 0.000 2.708 229 T HA -0.131 4.219 4.350 0.000 0.000 0.266 229 T C 1.793 176.482 174.700 -0.019 0.000 1.037 229 T CA 1.728 63.815 62.100 -0.021 0.000 1.146 229 T CB -0.299 68.557 68.868 -0.021 0.000 0.865 229 T HN 0.498 nan 8.240 nan 0.000 0.435 230 K N 0.127 120.513 120.400 -0.024 0.000 2.211 230 K HA 0.120 4.440 4.320 0.000 0.000 0.201 230 K C 2.486 179.077 176.600 -0.016 0.000 1.052 230 K CA 1.010 57.284 56.287 -0.022 0.000 0.973 230 K CB -0.111 32.370 32.500 -0.032 0.000 0.766 230 K HN 0.368 nan 8.250 nan 0.000 0.466 231 T N -0.176 114.370 114.554 -0.014 0.000 3.397 231 T HA 0.015 4.365 4.350 0.000 0.000 0.197 231 T C 0.417 175.117 174.700 -0.001 0.000 0.837 231 T CA 0.782 62.878 62.100 -0.007 0.000 2.001 231 T CB 0.097 68.962 68.868 -0.004 0.000 1.845 231 T HN 0.112 nan 8.240 nan 0.000 0.444 232 N N 0.447 119.149 118.700 0.004 0.000 3.767 232 N HA 0.022 4.763 4.740 0.000 0.000 0.118 232 N C -1.541 173.980 175.510 0.018 0.000 0.882 232 N CA -0.047 53.009 53.050 0.010 0.000 3.244 232 N CB -0.252 38.239 38.487 0.007 0.000 1.188 232 N HN 0.442 nan 8.380 nan 0.000 0.813 233 E N 0.152 120.364 120.200 0.021 0.000 2.222 233 E HA 0.486 4.836 4.350 0.000 0.000 0.267 233 E C -0.919 175.709 176.600 0.047 0.000 0.884 233 E CA -0.624 55.793 56.400 0.028 0.000 0.764 233 E CB 0.682 30.394 29.700 0.019 0.000 1.169 233 E HN 0.128 nan 8.360 nan 0.000 0.413 234 N N 2.431 121.173 118.700 0.070 0.000 2.488 234 N HA 0.221 4.961 4.740 0.000 0.000 0.274 234 N C -0.599 174.973 175.510 0.103 0.000 1.111 234 N CA -0.336 52.795 53.050 0.136 0.000 0.974 234 N CB 1.286 39.887 38.487 0.190 0.000 1.089 234 N HN 0.297 nan 8.380 nan 0.000 0.465 235 V N -1.222 118.770 119.914 0.129 0.000 2.612 235 V HA 0.901 5.021 4.120 0.000 0.000 0.301 235 V C 0.097 176.260 176.094 0.115 0.000 1.046 235 V CA -1.211 61.138 62.300 0.081 0.000 0.946 235 V CB 1.247 33.089 31.823 0.032 0.000 1.003 235 V HN 0.674 nan 8.190 nan 0.000 0.459 236 A N 5.444 128.303 122.820 0.066 0.000 2.303 236 A HA 0.879 5.199 4.320 0.000 0.000 0.320 236 A C -0.524 177.077 177.584 0.029 0.000 1.192 236 A CA -0.668 51.389 52.037 0.032 0.000 0.821 236 A CB 0.435 19.489 19.000 0.091 0.000 1.188 236 A HN 0.899 nan 8.150 nan 0.000 0.492 237 I N 1.846 122.357 120.570 -0.100 0.000 2.436 237 I HA 0.392 4.562 4.170 0.000 0.000 0.289 237 I C -1.333 174.654 176.117 -0.218 0.000 1.010 237 I CA -0.252 61.023 61.300 -0.041 0.000 1.098 237 I CB 1.783 39.771 38.000 -0.020 0.000 1.266 237 I HN 0.571 nan 8.210 nan 0.000 0.434 238 F N 3.777 123.735 119.950 0.014 0.000 2.347 238 F HA 0.234 4.762 4.527 0.000 0.000 0.366 238 F C 0.790 176.603 175.800 0.022 0.000 1.107 238 F CA -0.603 57.405 58.000 0.013 0.000 1.058 238 F CB 1.721 40.720 39.000 -0.002 0.000 1.236 238 F HN 0.430 nan 8.300 nan 0.000 0.456 239 S N 4.255 120.033 115.700 0.129 0.000 2.979 239 S HA 0.238 4.708 4.470 0.000 0.000 0.210 239 S C 1.289 175.954 174.600 0.108 0.000 1.364 239 S CA -0.491 57.777 58.200 0.114 0.000 1.208 239 S CB -0.494 62.751 63.200 0.075 0.000 1.167 239 S HN 0.723 nan 8.310 nan 0.000 0.519 240 L N 0.276 121.565 121.223 0.111 0.000 2.082 240 L HA -0.266 4.074 4.340 0.000 0.000 0.223 240 L C 2.857 179.761 176.870 0.056 0.000 1.086 240 L CA 2.309 57.184 54.840 0.059 0.000 0.793 240 L CB -0.613 41.437 42.059 -0.015 0.000 0.896 240 L HN 0.617 nan 8.230 nan 0.000 0.441 241 E N 0.471 120.734 120.200 0.106 0.000 2.004 241 E HA -0.129 4.221 4.350 0.000 0.000 0.192 241 E C 1.125 177.788 176.600 0.105 0.000 0.987 241 E CA 0.551 57.036 56.400 0.141 0.000 0.822 241 E CB 0.031 29.900 29.700 0.282 0.000 0.779 241 E HN 0.388 nan 8.360 nan 0.000 0.458 242 M N 1.424 121.088 119.600 0.107 0.000 2.211 242 M HA 0.213 4.693 4.480 0.000 0.000 0.356 242 M C 0.220 176.554 176.300 0.058 0.000 1.216 242 M CA -0.554 54.792 55.300 0.077 0.000 1.134 242 M CB 1.315 33.961 32.600 0.076 0.000 1.564 242 M HN -0.075 nan 8.290 nan 0.000 0.463 243 S N 2.917 118.643 115.700 0.043 0.000 2.563 243 S HA 0.248 4.719 4.470 0.000 0.000 0.269 243 S C 1.105 175.719 174.600 0.023 0.000 1.364 243 S CA -0.252 57.966 58.200 0.030 0.000 1.010 243 S CB 0.549 63.763 63.200 0.023 0.000 0.877 243 S HN 0.917 nan 8.310 nan 0.000 0.549 244 A N 0.465 123.292 122.820 0.012 0.000 2.066 244 A HA -0.000 4.320 4.320 0.000 0.000 0.218 244 A C 2.075 179.659 177.584 -0.000 0.000 1.157 244 A CA 1.089 53.127 52.037 0.001 0.000 0.670 244 A CB -0.610 18.384 19.000 -0.011 0.000 0.804 244 A HN 0.852 nan 8.150 nan 0.000 0.453 245 Q N -1.492 118.310 119.800 0.003 0.000 2.352 245 Q HA 0.096 4.436 4.340 0.000 0.000 0.212 245 Q C 1.876 177.879 176.000 0.006 0.000 0.888 245 Q CA 0.464 56.267 55.803 0.001 0.000 0.934 245 Q CB 0.267 29.005 28.738 -0.000 0.000 1.093 245 Q HN 0.762 nan 8.270 nan 0.000 0.523 246 Q N 0.449 120.257 119.800 0.013 0.000 2.432 246 Q HA -0.002 4.338 4.340 0.000 0.000 0.205 246 Q C 1.622 177.637 176.000 0.025 0.000 0.945 246 Q CA 0.346 56.160 55.803 0.018 0.000 0.924 246 Q CB 0.364 29.116 28.738 0.023 0.000 1.016 246 Q HN 0.457 nan 8.270 nan 0.000 0.503 247 L N -0.535 120.703 121.223 0.025 0.000 2.168 247 L HA -0.048 4.292 4.340 0.000 0.000 0.203 247 L C 2.022 178.906 176.870 0.023 0.000 1.078 247 L CA 0.499 55.358 54.840 0.032 0.000 0.780 247 L CB -0.047 42.030 42.059 0.030 0.000 0.939 247 L HN -0.013 nan 8.230 nan 0.000 0.451 248 V N 0.681 120.600 119.914 0.009 0.000 2.287 248 V HA -0.364 3.756 4.120 0.000 0.000 0.248 248 V C 2.560 178.658 176.094 0.007 0.000 1.053 248 V CA 2.585 64.886 62.300 0.002 0.000 1.027 248 V CB -0.631 31.187 31.823 -0.009 0.000 0.646 248 V HN 0.475 nan 8.190 nan 0.000 0.447 249 M N -0.622 118.982 119.600 0.006 0.000 2.108 249 M HA -0.231 4.249 4.480 0.000 0.000 0.261 249 M C 2.353 178.664 176.300 0.018 0.000 1.066 249 M CA 1.907 57.210 55.300 0.004 0.000 1.107 249 M CB -0.687 31.911 32.600 -0.003 0.000 1.356 249 M HN 0.109 nan 8.290 nan 0.000 0.406 250 R N 0.721 121.239 120.500 0.030 0.000 2.249 250 R HA -0.122 4.218 4.340 0.000 0.000 0.230 250 R C 2.047 178.384 176.300 0.061 0.000 1.121 250 R CA 1.507 57.636 56.100 0.049 0.000 0.997 250 R CB -0.287 30.052 30.300 0.065 0.000 0.867 250 R HN 0.601 nan 8.270 nan 0.000 0.465 251 M N -2.599 117.029 119.600 0.047 0.000 2.331 251 M HA 0.154 4.634 4.480 0.000 0.000 0.266 251 M C 1.223 177.542 176.300 0.031 0.000 1.055 251 M CA 0.659 55.987 55.300 0.048 0.000 1.048 251 M CB 0.408 33.033 32.600 0.042 0.000 1.460 251 M HN -0.039 nan 8.290 nan 0.000 0.519 252 L N 0.398 121.633 121.223 0.020 0.000 2.068 252 L HA -0.092 4.248 4.340 0.000 0.000 0.204 252 L C 2.415 179.298 176.870 0.022 0.000 1.076 252 L CA 1.077 55.924 54.840 0.012 0.000 0.753 252 L CB -0.401 41.658 42.059 0.001 0.000 0.910 252 L HN 0.551 nan 8.230 nan 0.000 0.439 253 C N -0.091 119.229 119.300 0.034 0.000 2.398 253 C HA -0.224 4.237 4.460 0.000 0.000 0.276 253 C C 3.030 178.072 174.990 0.087 0.000 1.222 253 C CA 0.918 59.975 59.018 0.065 0.000 1.746 253 C CB -1.148 26.623 27.740 0.052 0.000 2.039 253 C HN 0.634 nan 8.230 nan 0.000 0.470 254 A N -0.389 122.473 122.820 0.070 0.000 2.070 254 A HA -0.114 4.206 4.320 0.000 0.000 0.220 254 A C 1.479 179.084 177.584 0.036 0.000 1.159 254 A CA 1.593 53.673 52.037 0.072 0.000 0.656 254 A CB -0.283 18.776 19.000 0.098 0.000 0.800 254 A HN 0.759 nan 8.150 nan 0.000 0.453 255 E N -1.445 118.765 120.200 0.016 0.000 3.884 255 E HA 0.439 4.789 4.350 0.000 0.000 0.434 255 E C 1.338 177.905 176.600 -0.055 0.000 0.672 255 E CA 0.171 56.563 56.400 -0.013 0.000 2.669 255 E CB -0.163 29.533 29.700 -0.005 0.000 2.107 255 E HN 0.208 nan 8.360 nan 0.000 0.613 256 G N 1.231 110.001 108.800 -0.050 0.000 3.909 256 G HA2 -0.346 3.614 3.960 0.000 0.000 0.273 256 G HA3 -0.346 3.614 3.960 0.000 0.000 0.273 256 G C -0.284 174.533 174.900 -0.137 0.000 0.774 256 G CA 1.143 46.201 45.100 -0.071 0.000 0.628 256 G HN 0.612 nan 8.290 nan 0.000 0.762 257 N N -1.187 117.359 118.700 -0.256 0.000 2.726 257 N HA -0.176 4.564 4.740 0.000 0.000 0.287 257 N C 0.038 175.387 175.510 -0.267 0.000 1.052 257 N CA 1.359 54.009 53.050 -0.666 0.000 0.805 257 N CB -0.818 37.035 38.487 -1.056 0.000 0.944 257 N HN 0.658 nan 8.380 nan 0.000 0.574 258 I N -0.101 120.564 120.570 0.158 0.000 2.530 258 I HA 0.527 4.697 4.170 0.000 0.000 0.297 258 I C 0.439 176.717 176.117 0.269 0.000 1.011 258 I CA -0.996 60.445 61.300 0.234 0.000 1.107 258 I CB 2.021 40.060 38.000 0.065 0.000 1.285 258 I HN 0.258 nan 8.210 nan 0.000 0.436 259 N N 4.627 123.397 118.700 0.116 0.000 4.352 259 N HA -0.016 4.725 4.740 0.000 0.000 0.255 259 N C -0.813 174.582 175.510 -0.191 0.000 1.944 259 N CA 0.675 53.694 53.050 -0.052 0.000 2.324 259 N CB -0.439 38.019 38.487 -0.048 0.000 0.826 259 N HN 0.931 nan 8.380 nan 0.000 0.576 260 A N 3.166 125.905 122.820 -0.136 0.000 2.654 260 A HA 0.214 4.534 4.320 0.000 0.000 0.203 260 A C 1.038 178.568 177.584 -0.090 0.000 1.306 260 A CA 0.463 52.413 52.037 -0.145 0.000 1.041 260 A CB 0.071 18.972 19.000 -0.166 0.000 1.217 260 A HN 0.415 nan 8.150 nan 0.000 0.510 261 Q N -0.108 119.646 119.800 -0.076 0.000 2.396 261 Q HA 0.238 4.578 4.340 0.000 0.000 0.220 261 Q C 0.376 176.337 176.000 -0.065 0.000 0.900 261 Q CA 0.746 56.512 55.803 -0.062 0.000 0.925 261 Q CB 0.573 29.279 28.738 -0.054 0.000 1.065 261 Q HN 0.592 nan 8.270 nan 0.000 0.535 262 N N -1.570 117.084 118.700 -0.076 0.000 2.647 262 N HA 0.104 4.844 4.740 0.000 0.000 0.266 262 N C -0.131 175.320 175.510 -0.099 0.000 1.373 262 N CA -0.366 52.635 53.050 -0.083 0.000 0.807 262 N CB 0.730 39.173 38.487 -0.072 0.000 1.513 262 N HN -0.049 nan 8.380 nan 0.000 0.505 263 L N 1.880 123.043 121.223 -0.101 0.000 2.042 263 L HA 0.028 4.368 4.340 0.000 0.000 0.210 263 L C 2.297 179.116 176.870 -0.085 0.000 1.076 263 L CA 1.699 56.472 54.840 -0.112 0.000 0.749 263 L CB -0.423 41.581 42.059 -0.091 0.000 0.893 263 L HN 0.592 nan 8.230 nan 0.000 0.432 264 R N -1.671 118.791 120.500 -0.062 0.000 2.061 264 R HA -0.096 4.244 4.340 0.000 0.000 0.230 264 R C 1.340 177.614 176.300 -0.044 0.000 1.140 264 R CA 1.528 57.601 56.100 -0.045 0.000 0.940 264 R CB -0.895 29.384 30.300 -0.035 0.000 0.839 264 R HN 0.218 nan 8.270 nan 0.000 0.429 265 T N 0.575 115.101 114.554 -0.047 0.000 4.309 265 T HA 0.250 4.600 4.350 0.000 0.000 0.242 265 T C 0.894 175.569 174.700 -0.043 0.000 1.142 265 T CA 0.388 62.465 62.100 -0.039 0.000 1.042 265 T CB -0.861 67.986 68.868 -0.035 0.000 1.366 265 T HN 0.534 nan 8.240 nan 0.000 0.942 266 G N 3.589 112.363 108.800 -0.043 0.000 2.646 266 G HA2 -0.309 3.651 3.960 0.000 0.000 0.324 266 G HA3 -0.309 3.651 3.960 0.000 0.000 0.324 266 G C -0.092 174.770 174.900 -0.064 0.000 1.195 266 G CA 0.417 45.494 45.100 -0.039 0.000 0.976 266 G HN 0.727 nan 8.290 nan 0.000 0.546 267 K N 0.723 121.100 120.400 -0.038 0.000 2.258 267 K HA 0.700 5.020 4.320 0.000 0.000 0.264 267 K C 0.464 177.012 176.600 -0.086 0.000 1.007 267 K CA 0.077 56.343 56.287 -0.035 0.000 0.941 267 K CB 0.572 33.089 32.500 0.029 0.000 0.966 267 K HN 0.520 nan 8.250 nan 0.000 0.480 268 L N 0.057 121.202 121.223 -0.129 0.000 2.256 268 L HA 0.585 4.925 4.340 0.000 0.000 0.261 268 L C 0.242 177.100 176.870 -0.020 0.000 1.022 268 L CA -1.183 53.551 54.840 -0.177 0.000 0.828 268 L CB 1.862 43.630 42.059 -0.486 0.000 1.374 268 L HN 0.682 nan 8.230 nan 0.000 0.436 269 T N -3.566 110.991 114.554 0.005 0.000 2.927 269 T HA 0.340 4.690 4.350 0.000 0.000 0.281 269 T C -1.966 172.833 174.700 0.166 0.000 0.998 269 T CA -1.876 60.275 62.100 0.085 0.000 1.019 269 T CB 1.330 70.228 68.868 0.049 0.000 1.061 269 T HN 0.399 nan 8.240 nan 0.000 0.518 270 P HA -0.151 nan 4.420 nan 0.000 0.218 270 P C 1.556 178.956 177.300 0.166 0.000 1.146 270 P CA 1.975 65.194 63.100 0.197 0.000 0.820 270 P CB -0.321 31.444 31.700 0.109 0.000 0.778 271 E N 0.965 121.229 120.200 0.107 0.000 2.051 271 E HA -0.223 4.127 4.350 0.000 0.000 0.192 271 E C 1.761 178.405 176.600 0.074 0.000 0.991 271 E CA 1.708 58.154 56.400 0.076 0.000 0.799 271 E CB -1.430 28.302 29.700 0.052 0.000 0.748 271 E HN 0.318 nan 8.360 nan 0.000 0.449 272 D N -0.881 119.548 120.400 0.049 0.000 2.097 272 D HA -0.110 4.530 4.640 0.000 0.000 0.197 272 D C 1.884 178.191 176.300 0.011 0.000 0.984 272 D CA 0.976 54.968 54.000 -0.013 0.000 0.826 272 D CB -0.513 40.221 40.800 -0.110 0.000 0.973 272 D HN 0.679 nan 8.370 nan 0.000 0.460 273 W N 1.457 122.763 121.300 0.010 0.000 2.315 273 W HA -0.135 4.525 4.660 0.000 0.000 0.323 273 W C 2.506 179.027 176.519 0.003 0.000 1.233 273 W CA 1.401 58.749 57.345 0.005 0.000 1.267 273 W CB -0.611 28.851 29.460 0.004 0.000 1.160 273 W HN 0.038 nan 8.180 nan 0.000 0.474 274 G N -0.616 108.351 108.800 0.278 0.000 2.653 274 G HA2 -0.167 3.793 3.960 0.000 0.000 0.212 274 G HA3 -0.167 3.793 3.960 0.000 0.000 0.212 274 G C 1.242 176.202 174.900 0.100 0.000 1.138 274 G CA 0.748 45.938 45.100 0.151 0.000 0.782 274 G HN 0.215 nan 8.290 nan 0.000 0.535 275 K N -1.149 119.308 120.400 0.094 0.000 2.273 275 K HA 0.267 4.587 4.320 0.000 0.000 0.206 275 K C 2.135 178.760 176.600 0.040 0.000 1.072 275 K CA -0.280 56.035 56.287 0.045 0.000 0.953 275 K CB -0.141 32.374 32.500 0.025 0.000 1.043 275 K HN 0.130 nan 8.250 nan 0.000 0.477 276 L N 1.698 122.948 121.223 0.045 0.000 2.051 276 L HA -0.261 4.079 4.340 0.000 0.000 0.214 276 L C 2.313 179.222 176.870 0.064 0.000 1.076 276 L CA 2.230 57.090 54.840 0.034 0.000 0.758 276 L CB -0.873 41.188 42.059 0.003 0.000 0.890 276 L HN 0.293 nan 8.230 nan 0.000 0.433 277 T N -1.290 113.328 114.554 0.107 0.000 2.684 277 T HA -0.277 4.074 4.350 0.000 0.000 0.267 277 T C 1.859 176.589 174.700 0.049 0.000 1.036 277 T CA 2.264 64.418 62.100 0.091 0.000 1.148 277 T CB -0.148 68.780 68.868 0.101 0.000 0.863 277 T HN 0.432 nan 8.240 nan 0.000 0.436 278 M N 0.778 120.401 119.600 0.038 0.000 2.099 278 M HA 0.097 4.577 4.480 0.000 0.000 0.262 278 M C 2.881 179.187 176.300 0.010 0.000 1.067 278 M CA 1.695 57.006 55.300 0.018 0.000 1.124 278 M CB -0.685 31.922 32.600 0.010 0.000 1.353 278 M HN 0.365 nan 8.290 nan 0.000 0.410 279 A N 0.647 123.473 122.820 0.010 0.000 1.908 279 A HA -0.165 4.155 4.320 0.000 0.000 0.218 279 A C 2.228 179.814 177.584 0.003 0.000 1.181 279 A CA 1.780 53.818 52.037 0.002 0.000 0.627 279 A CB -0.696 18.303 19.000 -0.001 0.000 0.818 279 A HN 0.476 nan 8.150 nan 0.000 0.445 280 M N -0.888 118.720 119.600 0.013 0.000 2.132 280 M HA -0.096 4.384 4.480 0.000 0.000 0.263 280 M C 2.315 178.619 176.300 0.005 0.000 1.065 280 M CA 1.380 56.687 55.300 0.012 0.000 1.122 280 M CB -0.521 32.096 32.600 0.029 0.000 1.365 280 M HN 0.540 nan 8.290 nan 0.000 0.411 281 G N -0.053 108.753 108.800 0.009 0.000 2.421 281 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 281 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 281 G C 1.573 176.470 174.900 -0.005 0.000 1.171 281 G CA 1.223 46.325 45.100 0.003 0.000 0.775 281 G HN 0.566 nan 8.290 nan 0.000 0.543 282 S N 0.075 115.772 115.700 -0.005 0.000 2.436 282 S HA 0.094 4.564 4.470 0.000 0.000 0.228 282 S C 2.029 176.620 174.600 -0.016 0.000 1.014 282 S CA 0.749 58.943 58.200 -0.010 0.000 0.950 282 S CB -0.107 63.087 63.200 -0.009 0.000 0.784 282 S HN 0.146 nan 8.310 nan 0.000 0.504 283 L N 1.739 122.952 121.223 -0.017 0.000 2.558 283 L HA 0.326 4.666 4.340 0.000 0.000 0.225 283 L C 2.267 179.115 176.870 -0.036 0.000 1.128 283 L CA 0.636 55.461 54.840 -0.025 0.000 0.868 283 L CB -0.195 41.852 42.059 -0.020 0.000 1.006 283 L HN 0.400 nan 8.230 nan 0.000 0.454 284 S N -0.692 114.990 115.700 -0.030 0.000 2.527 284 S HA 0.012 4.482 4.470 0.000 0.000 0.222 284 S C 1.297 175.872 174.600 -0.043 0.000 0.985 284 S CA 0.777 58.956 58.200 -0.035 0.000 0.921 284 S CB -0.231 62.957 63.200 -0.021 0.000 0.772 284 S HN 0.580 nan 8.310 nan 0.000 0.529 285 N N 1.124 119.802 118.700 -0.038 0.000 2.171 285 N HA 0.344 5.084 4.740 0.000 0.000 0.212 285 N C 0.147 175.631 175.510 -0.043 0.000 1.184 285 N CA 0.291 53.320 53.050 -0.036 0.000 0.888 285 N CB 0.558 39.032 38.487 -0.022 0.000 1.038 285 N HN 0.377 nan 8.380 nan 0.000 0.517 286 A N 0.178 122.966 122.820 -0.053 0.000 2.366 286 A HA 0.553 4.874 4.320 0.000 0.000 0.249 286 A C 1.210 178.741 177.584 -0.088 0.000 1.084 286 A CA 0.160 52.164 52.037 -0.055 0.000 0.794 286 A CB 0.059 19.027 19.000 -0.053 0.000 1.034 286 A HN 0.184 nan 8.150 nan 0.000 0.491 287 G N 0.640 109.406 108.800 -0.056 0.000 3.782 287 G HA2 0.446 4.406 3.960 0.000 0.000 0.288 287 G HA3 0.446 4.406 3.960 0.000 0.000 0.288 287 G C 0.035 174.889 174.900 -0.077 0.000 1.300 287 G CA -0.265 44.809 45.100 -0.043 0.000 1.261 287 G HN 0.567 nan 8.290 nan 0.000 0.591 288 I N 0.399 120.847 120.570 -0.204 0.000 2.575 288 I HA 0.293 4.463 4.170 0.000 0.000 0.285 288 I C -0.622 175.255 176.117 -0.400 0.000 1.085 288 I CA -0.362 60.841 61.300 -0.162 0.000 1.403 288 I CB 0.874 38.803 38.000 -0.118 0.000 1.409 288 I HN 0.105 nan 8.210 nan 0.000 0.557 289 Y N 5.870 126.123 120.300 -0.078 0.000 2.386 289 Y HA 0.571 5.121 4.550 0.000 0.000 0.334 289 Y C -0.332 175.469 175.900 -0.165 0.000 1.002 289 Y CA -0.639 57.396 58.100 -0.108 0.000 1.068 289 Y CB 1.410 39.804 38.460 -0.110 0.000 1.203 289 Y HN 0.270 nan 8.280 nan 0.000 0.443 290 I N 2.554 123.098 120.570 -0.043 0.000 2.493 290 I HA 0.446 4.616 4.170 0.000 0.000 0.298 290 I C -1.028 174.988 176.117 -0.168 0.000 0.998 290 I CA -0.671 60.559 61.300 -0.117 0.000 1.137 290 I CB 2.000 39.956 38.000 -0.073 0.000 1.310 290 I HN 0.507 nan 8.210 nan 0.000 0.445 291 D N 3.773 124.009 120.400 -0.274 0.000 2.575 291 D HA 0.194 4.835 4.640 0.000 0.000 0.250 291 D C -0.204 176.045 176.300 -0.085 0.000 1.279 291 D CA -0.461 53.405 54.000 -0.224 0.000 0.925 291 D CB 1.132 41.683 40.800 -0.415 0.000 1.261 291 D HN 0.564 nan 8.370 nan 0.000 0.567 292 D N 1.819 122.206 120.400 -0.022 0.000 2.340 292 D HA -0.005 4.635 4.640 0.000 0.000 0.217 292 D C -0.178 176.146 176.300 0.041 0.000 1.081 292 D CA -0.169 53.843 54.000 0.020 0.000 0.842 292 D CB -0.413 40.395 40.800 0.014 0.000 0.934 292 D HN 0.228 nan 8.370 nan 0.000 0.511 293 T N 3.631 118.215 114.554 0.051 0.000 2.750 293 T HA -0.012 4.338 4.350 0.000 0.000 0.277 293 T C -1.355 173.375 174.700 0.049 0.000 0.996 293 T CA -0.724 61.407 62.100 0.052 0.000 1.195 293 T CB 0.844 69.752 68.868 0.068 0.000 0.963 293 T HN 0.023 nan 8.240 nan 0.000 0.516 294 P HA -0.218 nan 4.420 nan 0.000 0.223 294 P C 0.438 177.744 177.300 0.010 0.000 1.073 294 P CA 1.738 64.850 63.100 0.020 0.000 1.008 294 P CB -0.015 31.693 31.700 0.014 0.000 0.760 295 S N -2.145 113.557 115.700 0.003 0.000 2.382 295 S HA 0.510 4.980 4.470 0.000 0.000 0.228 295 S C -0.249 174.342 174.600 -0.015 0.000 0.996 295 S CA -0.981 57.208 58.200 -0.019 0.000 1.094 295 S CB -0.763 62.413 63.200 -0.041 0.000 1.209 295 S HN 0.211 nan 8.310 nan 0.000 0.420 296 I N 0.279 120.845 120.570 -0.007 0.000 2.577 296 I HA 0.689 4.860 4.170 0.000 0.000 0.305 296 I C 0.526 176.616 176.117 -0.045 0.000 0.986 296 I CA -1.463 59.830 61.300 -0.011 0.000 1.189 296 I CB 1.042 39.055 38.000 0.022 0.000 1.355 296 I HN 0.612 nan 8.210 nan 0.000 0.476 297 R N 3.127 123.601 120.500 -0.043 0.000 2.801 297 R HA 0.226 4.566 4.340 0.000 0.000 0.273 297 R C 0.661 176.910 176.300 -0.085 0.000 1.080 297 R CA -0.698 55.367 56.100 -0.058 0.000 1.197 297 R CB 0.009 30.284 30.300 -0.042 0.000 1.109 297 R HN 0.565 nan 8.270 nan 0.000 0.535 298 V N 0.539 120.399 119.914 -0.090 0.000 2.307 298 V HA -0.268 3.853 4.120 0.000 0.000 0.245 298 V C 2.614 178.645 176.094 -0.104 0.000 1.045 298 V CA 2.276 64.507 62.300 -0.115 0.000 1.024 298 V CB -0.950 30.816 31.823 -0.094 0.000 0.651 298 V HN 1.006 nan 8.190 nan 0.000 0.449 299 S N -0.145 115.514 115.700 -0.069 0.000 2.440 299 S HA -0.263 4.207 4.470 0.000 0.000 0.238 299 S C 1.600 176.173 174.600 -0.045 0.000 1.010 299 S CA 1.745 59.913 58.200 -0.052 0.000 0.972 299 S CB -0.490 62.687 63.200 -0.037 0.000 0.774 299 S HN 0.608 nan 8.310 nan 0.000 0.501 300 D N 1.433 121.806 120.400 -0.045 0.000 2.183 300 D HA 0.182 4.822 4.640 0.000 0.000 0.205 300 D C 1.930 178.222 176.300 -0.014 0.000 0.962 300 D CA 0.731 54.722 54.000 -0.015 0.000 0.849 300 D CB -0.209 40.593 40.800 0.004 0.000 0.978 300 D HN 0.434 nan 8.370 nan 0.000 0.488 301 I N 0.901 121.394 120.570 -0.128 0.000 2.286 301 I HA -0.226 3.944 4.170 0.000 0.000 0.248 301 I C 2.616 178.645 176.117 -0.147 0.000 1.115 301 I CA 0.812 61.922 61.300 -0.316 0.000 1.392 301 I CB -0.151 37.430 38.000 -0.699 0.000 1.065 301 I HN -0.071 nan 8.210 nan 0.000 0.418 302 R N 1.349 121.782 120.500 -0.112 0.000 2.092 302 R HA -0.141 4.199 4.340 0.000 0.000 0.231 302 R C 2.344 178.630 176.300 -0.023 0.000 1.119 302 R CA 1.476 57.538 56.100 -0.065 0.000 0.970 302 R CB -0.159 30.103 30.300 -0.064 0.000 0.864 302 R HN 0.319 nan 8.270 nan 0.000 0.440 303 A N 1.346 124.159 122.820 -0.012 0.000 1.855 303 A HA -0.125 4.195 4.320 0.000 0.000 0.215 303 A C 1.994 179.590 177.584 0.020 0.000 1.191 303 A CA 1.460 53.498 52.037 0.002 0.000 0.613 303 A CB -0.292 18.709 19.000 0.002 0.000 0.829 303 A HN 0.328 nan 8.150 nan 0.000 0.442 304 K N -0.842 119.593 120.400 0.059 0.000 2.057 304 K HA -0.124 4.196 4.320 0.000 0.000 0.207 304 K C 2.040 178.676 176.600 0.061 0.000 1.049 304 K CA 1.411 57.744 56.287 0.077 0.000 0.931 304 K CB -0.460 32.132 32.500 0.153 0.000 0.714 304 K HN 0.524 nan 8.250 nan 0.000 0.440 305 C N 0.607 119.971 119.300 0.107 0.000 2.422 305 C HA -0.036 4.425 4.460 0.000 0.000 0.279 305 C C 2.640 177.631 174.990 0.001 0.000 1.305 305 C CA 0.402 59.461 59.018 0.068 0.000 1.757 305 C CB -0.753 27.043 27.740 0.094 0.000 1.962 305 C HN 0.425 nan 8.230 nan 0.000 0.499 306 R N 0.526 121.024 120.500 -0.002 0.000 2.075 306 R HA -0.077 4.263 4.340 0.000 0.000 0.232 306 R C 2.398 178.682 176.300 -0.027 0.000 1.126 306 R CA 1.296 57.386 56.100 -0.017 0.000 0.963 306 R CB -0.165 30.127 30.300 -0.015 0.000 0.858 306 R HN 0.530 nan 8.270 nan 0.000 0.435 307 R N -0.080 120.403 120.500 -0.028 0.000 2.115 307 R HA -0.094 4.246 4.340 0.000 0.000 0.226 307 R C 2.212 178.472 176.300 -0.068 0.000 1.100 307 R CA 0.728 56.805 56.100 -0.039 0.000 0.980 307 R CB -0.240 30.041 30.300 -0.031 0.000 0.875 307 R HN 0.127 nan 8.270 nan 0.000 0.445 308 L N 1.653 122.818 121.223 -0.096 0.000 2.056 308 L HA -0.155 4.186 4.340 0.000 0.000 0.207 308 L C 2.234 179.022 176.870 -0.138 0.000 1.078 308 L CA 1.785 56.521 54.840 -0.174 0.000 0.749 308 L CB -0.403 41.507 42.059 -0.249 0.000 0.901 308 L HN -0.002 nan 8.230 nan 0.000 0.433 309 K N -0.745 119.602 120.400 -0.088 0.000 2.020 309 K HA -0.262 4.058 4.320 0.000 0.000 0.212 309 K C 1.976 178.547 176.600 -0.049 0.000 1.050 309 K CA 2.170 58.421 56.287 -0.061 0.000 0.929 309 K CB -0.135 32.342 32.500 -0.039 0.000 0.714 309 K HN 0.494 nan 8.250 nan 0.000 0.443 310 Q N -0.557 119.217 119.800 -0.044 0.000 2.436 310 Q HA -0.106 4.235 4.340 0.000 0.000 0.209 310 Q C 1.490 177.470 176.000 -0.032 0.000 0.965 310 Q CA 0.903 56.686 55.803 -0.032 0.000 0.910 310 Q CB 0.312 29.034 28.738 -0.027 0.000 0.980 310 Q HN 0.405 nan 8.270 nan 0.000 0.491 311 E N -1.111 119.061 120.200 -0.045 0.000 2.340 311 E HA 0.055 4.405 4.350 0.000 0.000 0.198 311 E C 0.954 177.535 176.600 -0.032 0.000 0.961 311 E CA 0.446 56.824 56.400 -0.038 0.000 0.905 311 E CB 0.577 30.249 29.700 -0.046 0.000 0.884 311 E HN 0.086 nan 8.360 nan 0.000 0.491 312 S N -1.919 113.752 115.700 -0.049 0.000 3.325 312 S HA 0.401 4.872 4.470 0.000 0.000 0.254 312 S C 0.753 175.345 174.600 -0.013 0.000 1.084 312 S CA 0.119 58.305 58.200 -0.025 0.000 0.786 312 S CB 1.638 64.816 63.200 -0.037 0.000 0.849 312 S HN 0.366 nan 8.310 nan 0.000 0.483 313 G N 0.366 109.145 108.800 -0.036 0.000 3.358 313 G HA2 0.289 4.249 3.960 0.000 0.000 0.106 313 G HA3 0.289 4.249 3.960 0.000 0.000 0.106 313 G C -0.753 174.131 174.900 -0.027 0.000 1.614 313 G CA -0.127 44.963 45.100 -0.017 0.000 1.046 313 G HN 0.630 nan 8.290 nan 0.000 0.320 314 L N 0.577 121.785 121.223 -0.024 0.000 1.096 314 L HA -0.018 4.322 4.340 0.000 0.000 0.399 314 L C 0.937 177.804 176.870 -0.004 0.000 1.003 314 L CA 0.763 55.589 54.840 -0.023 0.000 1.217 314 L CB -0.575 41.457 42.059 -0.045 0.000 0.817 314 L HN 1.323 nan 8.230 nan 0.000 0.447 315 G N 4.704 113.507 108.800 0.005 0.000 2.659 315 G HA2 0.375 4.335 3.960 0.000 0.000 0.197 315 G HA3 0.375 4.335 3.960 0.000 0.000 0.197 315 G C 0.159 175.056 174.900 -0.005 0.000 1.099 315 G CA 0.090 45.193 45.100 0.005 0.000 0.759 315 G HN 0.338 nan 8.290 nan 0.000 0.715 316 M N 0.785 120.381 119.600 -0.007 0.000 2.501 316 M HA 0.521 5.001 4.480 0.000 0.000 0.293 316 M C -1.765 174.533 176.300 -0.003 0.000 1.192 316 M CA -0.493 54.788 55.300 -0.031 0.000 0.886 316 M CB 3.113 35.677 32.600 -0.060 0.000 1.710 316 M HN -0.136 nan 8.290 nan 0.000 0.457 317 I N 2.447 123.010 120.570 -0.012 0.000 2.389 317 I HA 0.428 4.598 4.170 0.000 0.000 0.288 317 I C -0.795 175.331 176.117 0.015 0.000 0.999 317 I CA -0.857 60.475 61.300 0.053 0.000 1.129 317 I CB 1.857 39.886 38.000 0.048 0.000 1.288 317 I HN 0.269 nan 8.210 nan 0.000 0.444 318 V N 7.542 127.503 119.914 0.077 0.000 2.284 318 V HA 0.397 4.518 4.120 0.000 0.000 0.274 318 V C 0.142 176.316 176.094 0.133 0.000 1.023 318 V CA -0.399 61.922 62.300 0.036 0.000 0.808 318 V CB 1.087 32.906 31.823 -0.007 0.000 1.035 318 V HN 0.509 nan 8.190 nan 0.000 0.445 319 I N 3.260 123.879 120.570 0.082 0.000 2.371 319 I HA 0.276 4.447 4.170 0.000 0.000 0.290 319 I C 0.312 176.489 176.117 0.101 0.000 1.028 319 I CA -0.099 61.256 61.300 0.092 0.000 1.345 319 I CB 1.028 38.994 38.000 -0.057 0.000 1.407 319 I HN 0.472 nan 8.210 nan 0.000 0.501 320 D N 5.680 126.169 120.400 0.148 0.000 2.341 320 D HA 0.085 4.726 4.640 0.000 0.000 0.245 320 D C -0.423 175.976 176.300 0.165 0.000 1.106 320 D CA -0.078 54.028 54.000 0.177 0.000 0.905 320 D CB 0.543 41.459 40.800 0.193 0.000 1.202 320 D HN 0.316 nan 8.370 nan 0.000 0.426 321 Y N 1.262 121.588 120.300 0.044 0.000 3.121 321 Y HA -0.171 4.379 4.550 0.000 0.000 0.357 321 Y C 1.074 176.982 175.900 0.014 0.000 1.250 321 Y CA -0.329 57.789 58.100 0.030 0.000 1.594 321 Y CB 0.108 38.590 38.460 0.038 0.000 1.145 321 Y HN 0.465 nan 8.280 nan 0.000 0.604 322 L N 2.262 123.518 121.223 0.055 0.000 2.042 322 L HA -0.257 4.084 4.340 0.000 0.000 0.210 322 L C 2.171 179.001 176.870 -0.068 0.000 1.076 322 L CA 1.373 56.198 54.840 -0.024 0.000 0.749 322 L CB -0.302 41.766 42.059 0.014 0.000 0.893 322 L HN 0.823 nan 8.230 nan 0.000 0.432 323 Q N -0.606 119.190 119.800 -0.006 0.000 2.561 323 Q HA -0.148 4.193 4.340 0.000 0.000 0.217 323 Q C 1.618 177.523 176.000 -0.159 0.000 0.980 323 Q CA 0.883 56.682 55.803 -0.006 0.000 0.927 323 Q CB -0.146 28.691 28.738 0.165 0.000 0.980 323 Q HN 0.485 nan 8.270 nan 0.000 0.525 324 L N -0.072 120.924 121.223 -0.378 0.000 2.858 324 L HA 0.370 4.710 4.340 0.000 0.000 0.251 324 L C 0.244 176.966 176.870 -0.247 0.000 1.149 324 L CA -0.209 54.370 54.840 -0.435 0.000 0.955 324 L CB 0.482 41.985 42.059 -0.928 0.000 1.289 324 L HN 0.137 nan 8.230 nan 0.000 0.542 325 I N 1.180 121.640 120.570 -0.184 0.000 2.472 325 I HA 0.112 4.283 4.170 0.000 0.000 0.290 325 I C -0.177 175.886 176.117 -0.089 0.000 1.016 325 I CA -0.245 60.982 61.300 -0.123 0.000 1.348 325 I CB 1.225 39.154 38.000 -0.119 0.000 1.417 325 I HN 0.283 nan 8.210 nan 0.000 0.521 339 V N 2.029 121.939 119.914 -0.006 0.000 3.129 339 V HA -0.085 4.035 4.120 0.000 0.000 0.259 339 V C 1.993 178.083 176.094 -0.007 0.000 1.116 339 V CA 2.225 64.520 62.300 -0.008 0.000 1.127 339 V CB -0.021 31.802 31.823 0.000 0.000 0.742 339 V HN 0.414 nan 8.190 nan 0.000 0.474 340 S N -0.996 114.702 115.700 -0.003 0.000 2.428 340 S HA -0.075 4.395 4.470 0.000 0.000 0.230 340 S C 1.673 176.268 174.600 -0.008 0.000 1.014 340 S CA 1.182 59.380 58.200 -0.003 0.000 0.957 340 S CB -0.301 62.900 63.200 0.002 0.000 0.784 340 S HN 0.767 nan 8.310 nan 0.000 0.499 341 E N 0.633 120.826 120.200 -0.011 0.000 2.299 341 E HA 0.190 4.540 4.350 0.000 0.000 0.193 341 E C 1.690 178.276 176.600 -0.024 0.000 0.998 341 E CA 0.487 56.878 56.400 -0.016 0.000 0.851 341 E CB -0.099 29.592 29.700 -0.015 0.000 0.795 341 E HN 0.583 nan 8.360 nan 0.000 0.492 342 I N 0.113 120.667 120.570 -0.027 0.000 2.400 342 I HA -0.173 3.997 4.170 0.000 0.000 0.248 342 I C 2.549 178.642 176.117 -0.040 0.000 1.109 342 I CA 0.365 61.642 61.300 -0.039 0.000 1.425 342 I CB -0.100 37.874 38.000 -0.044 0.000 1.094 342 I HN 0.026 nan 8.210 nan 0.000 0.425 343 S N 0.917 116.600 115.700 -0.029 0.000 2.359 343 S HA -0.261 4.209 4.470 0.000 0.000 0.224 343 S C 2.241 176.825 174.600 -0.027 0.000 1.035 343 S CA 1.666 59.850 58.200 -0.027 0.000 1.018 343 S CB -0.262 62.929 63.200 -0.015 0.000 0.876 343 S HN 0.262 nan 8.310 nan 0.000 0.448 344 R N 0.199 120.686 120.500 -0.022 0.000 2.113 344 R HA -0.096 4.244 4.340 0.000 0.000 0.244 344 R C 2.631 178.914 176.300 -0.028 0.000 1.142 344 R CA 1.905 57.992 56.100 -0.021 0.000 0.953 344 R CB -0.740 29.550 30.300 -0.017 0.000 0.860 344 R HN 0.417 nan 8.270 nan 0.000 0.438 345 S N -0.060 115.619 115.700 -0.035 0.000 2.402 345 S HA 0.017 4.487 4.470 0.000 0.000 0.229 345 S C 1.817 176.385 174.600 -0.052 0.000 1.021 345 S CA 0.679 58.854 58.200 -0.043 0.000 0.974 345 S CB -0.032 63.139 63.200 -0.049 0.000 0.800 345 S HN 0.286 nan 8.310 nan 0.000 0.484 346 L N 0.845 122.034 121.223 -0.057 0.000 2.109 346 L HA -0.053 4.288 4.340 0.000 0.000 0.207 346 L C 2.515 179.354 176.870 -0.052 0.000 1.086 346 L CA 1.256 56.057 54.840 -0.066 0.000 0.760 346 L CB -0.463 41.553 42.059 -0.070 0.000 0.910 346 L HN 0.260 nan 8.230 nan 0.000 0.437 347 K N 1.043 121.419 120.400 -0.039 0.000 2.026 347 K HA -0.127 4.194 4.320 0.000 0.000 0.208 347 K C 2.015 178.598 176.600 -0.028 0.000 1.048 347 K CA 1.692 57.962 56.287 -0.030 0.000 0.929 347 K CB -0.322 32.165 32.500 -0.021 0.000 0.713 347 K HN 0.176 nan 8.250 nan 0.000 0.439 348 A N 0.640 123.443 122.820 -0.029 0.000 1.972 348 A HA -0.080 4.241 4.320 0.000 0.000 0.219 348 A C 2.107 179.673 177.584 -0.031 0.000 1.169 348 A CA 1.520 53.541 52.037 -0.027 0.000 0.635 348 A CB -0.706 18.278 19.000 -0.027 0.000 0.810 348 A HN 0.397 nan 8.150 nan 0.000 0.446 349 L N -0.132 121.066 121.223 -0.041 0.000 2.017 349 L HA -0.071 4.269 4.340 0.000 0.000 0.208 349 L C 2.637 179.485 176.870 -0.038 0.000 1.073 349 L CA 2.263 57.076 54.840 -0.046 0.000 0.745 349 L CB -0.865 41.154 42.059 -0.066 0.000 0.894 349 L HN 0.329 nan 8.230 nan 0.000 0.432 350 A N -0.432 122.366 122.820 -0.037 0.000 1.883 350 A HA -0.280 4.040 4.320 0.000 0.000 0.217 350 A C 2.480 180.052 177.584 -0.020 0.000 1.186 350 A CA 2.040 54.059 52.037 -0.030 0.000 0.624 350 A CB -0.655 18.327 19.000 -0.030 0.000 0.822 350 A HN 0.471 nan 8.150 nan 0.000 0.444 351 R N -0.429 120.060 120.500 -0.019 0.000 2.073 351 R HA -0.124 4.217 4.340 0.000 0.000 0.234 351 R C 2.262 178.554 176.300 -0.014 0.000 1.134 351 R CA 1.800 57.892 56.100 -0.013 0.000 0.952 351 R CB -0.357 29.935 30.300 -0.012 0.000 0.850 351 R HN 0.739 nan 8.270 nan 0.000 0.433 352 E N -0.483 119.707 120.200 -0.017 0.000 2.110 352 E HA -0.182 4.168 4.350 0.000 0.000 0.193 352 E C 1.112 177.703 176.600 -0.016 0.000 0.988 352 E CA 1.124 57.514 56.400 -0.017 0.000 0.804 352 E CB 0.126 29.814 29.700 -0.020 0.000 0.745 352 E HN 0.174 nan 8.360 nan 0.000 0.458 353 L N 0.814 122.027 121.223 -0.017 0.000 2.529 353 L HA 0.087 4.427 4.340 0.000 0.000 0.223 353 L C 0.120 176.983 176.870 -0.012 0.000 1.113 353 L CA 0.735 55.566 54.840 -0.016 0.000 0.861 353 L CB -0.063 41.985 42.059 -0.017 0.000 1.012 353 L HN 0.054 nan 8.230 nan 0.000 0.461 354 E N -0.382 119.812 120.200 -0.010 0.000 2.252 354 E HA -0.170 4.180 4.350 0.000 0.000 0.199 354 E C -0.811 175.787 176.600 -0.003 0.000 1.352 354 E CA -0.001 56.396 56.400 -0.005 0.000 0.682 354 E CB -1.280 28.418 29.700 -0.003 0.000 1.142 354 E HN 0.093 nan 8.360 nan 0.000 0.367 355 V N 1.058 120.968 119.914 -0.007 0.000 2.852 355 V HA 0.309 4.429 4.120 0.000 0.000 0.300 355 V C -2.221 173.861 176.094 -0.021 0.000 1.205 355 V CA -1.547 60.747 62.300 -0.010 0.000 0.940 355 V CB 2.512 34.328 31.823 -0.013 0.000 1.047 355 V HN 0.073 nan 8.190 nan 0.000 0.429 356 P HA 0.153 nan 4.420 nan 0.000 0.270 356 P C -0.542 176.690 177.300 -0.113 0.000 1.242 356 P CA 0.225 63.289 63.100 -0.060 0.000 0.768 356 P CB 0.978 32.643 31.700 -0.058 0.000 0.820 357 V N 6.380 126.233 119.914 -0.101 0.000 2.432 357 V HA 0.231 4.351 4.120 0.000 0.000 0.275 357 V C 0.866 176.870 176.094 -0.151 0.000 1.043 357 V CA -0.309 61.927 62.300 -0.106 0.000 0.925 357 V CB 0.851 32.627 31.823 -0.078 0.000 0.985 357 V HN 0.386 nan 8.190 nan 0.000 0.466 358 I N 5.074 125.543 120.570 -0.168 0.000 2.412 358 I HA 0.481 4.652 4.170 0.000 0.000 0.279 358 I C 0.656 176.718 176.117 -0.091 0.000 1.063 358 I CA -0.244 60.945 61.300 -0.185 0.000 1.193 358 I CB 1.039 38.859 38.000 -0.301 0.000 1.370 358 I HN 0.648 nan 8.210 nan 0.000 0.479 359 A N 7.212 129.993 122.820 -0.065 0.000 2.388 359 A HA 0.690 5.010 4.320 0.000 0.000 0.257 359 A C -0.357 177.231 177.584 0.006 0.000 1.095 359 A CA -0.171 51.850 52.037 -0.026 0.000 0.791 359 A CB 0.449 19.431 19.000 -0.031 0.000 1.029 359 A HN 0.681 nan 8.150 nan 0.000 0.489 360 L N 1.774 123.030 121.223 0.056 0.000 2.325 360 L HA 0.598 4.938 4.340 0.000 0.000 0.278 360 L C 0.530 177.481 176.870 0.135 0.000 1.023 360 L CA -0.214 54.684 54.840 0.097 0.000 0.811 360 L CB 1.921 44.061 42.059 0.136 0.000 1.249 360 L HN 0.710 nan 8.230 nan 0.000 0.431 361 S N 2.008 117.772 115.700 0.106 0.000 2.568 361 S HA 0.499 4.970 4.470 0.000 0.000 0.293 361 S C -1.139 173.523 174.600 0.103 0.000 1.089 361 S CA -0.588 57.684 58.200 0.120 0.000 0.945 361 S CB 1.912 65.156 63.200 0.073 0.000 1.077 361 S HN 0.635 nan 8.310 nan 0.000 0.485 362 Q N 2.982 122.856 119.800 0.124 0.000 2.333 362 Q HA 0.610 4.950 4.340 0.000 0.000 0.267 362 Q C -1.097 174.957 176.000 0.090 0.000 1.012 362 Q CA -0.700 55.141 55.803 0.064 0.000 0.824 362 Q CB 1.216 29.959 28.738 0.010 0.000 1.290 362 Q HN 0.732 nan 8.270 nan 0.000 0.449 375 P HA 0.507 nan 4.420 nan 0.000 0.309 375 P C -0.967 175.962 177.300 -0.619 0.000 1.302 375 P CA -0.655 62.154 63.100 -0.485 0.000 0.835 375 P CB 1.551 32.911 31.700 -0.566 0.000 1.324 376 M N -2.435 116.785 119.600 -0.633 0.000 3.517 376 M HA 0.409 4.889 4.480 0.000 0.000 0.293 376 M C 0.257 176.362 176.300 -0.325 0.000 1.404 376 M CA -0.861 54.138 55.300 -0.502 0.000 0.837 376 M CB 0.576 33.027 32.600 -0.248 0.000 1.756 376 M HN -0.137 nan 8.290 nan 0.000 0.474 377 M N 1.128 120.690 119.600 -0.062 0.000 2.117 377 M HA -0.049 4.431 4.480 0.000 0.000 0.262 377 M C 2.101 178.447 176.300 0.076 0.000 1.065 377 M CA 2.593 57.957 55.300 0.108 0.000 1.114 377 M CB -1.398 31.262 32.600 0.099 0.000 1.361 377 M HN 0.952 nan 8.290 nan 0.000 0.408 378 S N -0.712 114.997 115.700 0.014 0.000 2.603 378 S HA -0.062 4.408 4.470 0.000 0.000 0.229 378 S C 1.206 175.814 174.600 0.014 0.000 0.972 378 S CA 0.561 58.770 58.200 0.015 0.000 0.935 378 S CB -0.449 62.751 63.200 -0.002 0.000 0.769 378 S HN 0.391 nan 8.310 nan 0.000 0.536 379 D N 2.062 122.463 120.400 0.003 0.000 2.234 379 D HA 0.048 4.688 4.640 0.000 0.000 0.205 379 D C 1.813 178.150 176.300 0.061 0.000 0.962 379 D CA 1.308 55.313 54.000 0.008 0.000 0.855 379 D CB -0.001 40.771 40.800 -0.046 0.000 0.951 379 D HN 0.713 nan 8.370 nan 0.000 0.500 380 I N -1.684 118.951 120.570 0.109 0.000 3.790 380 I HA 0.188 4.358 4.170 0.000 0.000 0.305 380 I C 2.296 178.462 176.117 0.082 0.000 1.253 380 I CA -0.240 61.130 61.300 0.116 0.000 1.355 380 I CB 0.022 38.123 38.000 0.167 0.000 1.137 380 I HN -0.268 nan 8.210 nan 0.000 0.435 381 R N 2.290 122.836 120.500 0.076 0.000 2.081 381 R HA -0.127 4.213 4.340 0.000 0.000 0.235 381 R C 1.912 178.235 176.300 0.039 0.000 1.131 381 R CA 1.874 58.007 56.100 0.054 0.000 0.960 381 R CB -0.608 29.722 30.300 0.050 0.000 0.856 381 R HN 0.478 nan 8.270 nan 0.000 0.436 382 E N -0.043 120.177 120.200 0.035 0.000 2.401 382 E HA -0.077 4.273 4.350 0.000 0.000 0.199 382 E C -0.185 176.431 176.600 0.027 0.000 1.023 382 E CA 1.091 57.507 56.400 0.026 0.000 0.859 382 E CB 0.001 29.714 29.700 0.021 0.000 0.780 382 E HN 0.371 nan 8.360 nan 0.000 0.523 383 S N 0.121 115.841 115.700 0.035 0.000 2.468 383 S HA 0.520 4.990 4.470 0.000 0.000 0.190 383 S C 0.134 174.753 174.600 0.032 0.000 1.445 383 S CA -0.302 57.918 58.200 0.034 0.000 1.084 383 S CB 0.887 64.112 63.200 0.042 0.000 1.175 383 S HN 0.226 nan 8.310 nan 0.000 0.484 384 G N 1.732 110.547 108.800 0.024 0.000 3.450 384 G HA2 -0.092 3.868 3.960 0.000 0.000 0.668 384 G HA3 -0.092 3.868 3.960 0.000 0.000 0.668 384 G C 0.348 175.260 174.900 0.020 0.000 0.941 384 G CA 0.054 45.166 45.100 0.019 0.000 0.766 384 G HN 1.467 nan 8.290 nan 0.000 0.451 385 S N 2.439 118.148 115.700 0.016 0.000 1.878 385 S HA -0.435 4.035 4.470 0.000 0.000 0.537 385 S C 2.351 176.962 174.600 0.018 0.000 0.915 385 S CA 3.202 61.411 58.200 0.015 0.000 3.381 385 S CB -0.715 62.491 63.200 0.009 0.000 2.352 385 S HN 2.167 nan 8.310 nan 0.000 0.593 386 I N -0.797 119.780 120.570 0.011 0.000 4.497 386 I HA -0.439 3.731 4.170 0.000 0.000 0.059 386 I C 1.738 177.860 176.117 0.008 0.000 0.607 386 I CA 2.175 63.480 61.300 0.007 0.000 0.958 386 I CB -1.507 36.501 38.000 0.013 0.000 0.864 386 I HN 0.736 nan 8.210 nan 0.000 0.166 387 E N 0.613 120.825 120.200 0.019 0.000 2.108 387 E HA -0.337 4.013 4.350 0.000 0.000 0.203 387 E C 1.739 178.348 176.600 0.015 0.000 1.022 387 E CA 2.595 59.008 56.400 0.023 0.000 0.823 387 E CB -0.029 29.691 29.700 0.033 0.000 0.744 387 E HN 0.683 nan 8.360 nan 0.000 0.456 388 Q N -0.454 119.353 119.800 0.012 0.000 2.392 388 Q HA 0.016 4.356 4.340 0.000 0.000 0.203 388 Q C 0.984 176.986 176.000 0.004 0.000 0.917 388 Q CA 0.801 56.609 55.803 0.009 0.000 0.939 388 Q CB 0.576 29.320 28.738 0.009 0.000 1.063 388 Q HN 0.261 nan 8.270 nan 0.000 0.516 389 D N 0.701 121.101 120.400 0.001 0.000 2.338 389 D HA 0.098 4.738 4.640 0.000 0.000 0.224 389 D C 0.258 176.554 176.300 -0.007 0.000 0.967 389 D CA 0.484 54.482 54.000 -0.004 0.000 0.896 389 D CB -0.045 40.750 40.800 -0.008 0.000 1.028 389 D HN 0.174 nan 8.370 nan 0.000 0.493 390 A N 1.802 124.618 122.820 -0.008 0.000 2.454 390 A HA 0.136 4.456 4.320 0.000 0.000 0.260 390 A C 0.485 178.067 177.584 -0.003 0.000 1.106 390 A CA -0.204 51.826 52.037 -0.012 0.000 0.780 390 A CB 0.251 19.237 19.000 -0.023 0.000 1.044 390 A HN 0.032 nan 8.150 nan 0.000 0.498 391 D N 1.397 121.799 120.400 0.003 0.000 2.350 391 D HA 0.127 4.767 4.640 0.000 0.000 0.213 391 D C 0.226 176.538 176.300 0.020 0.000 1.031 391 D CA 0.372 54.379 54.000 0.012 0.000 0.861 391 D CB 0.127 40.936 40.800 0.016 0.000 0.926 391 D HN 0.461 nan 8.370 nan 0.000 0.520 392 I N 0.271 120.852 120.570 0.019 0.000 2.571 392 I HA 0.240 4.410 4.170 0.000 0.000 0.286 392 I C -1.943 174.168 176.117 -0.011 0.000 1.134 392 I CA -0.873 60.443 61.300 0.027 0.000 1.052 392 I CB 1.981 40.027 38.000 0.077 0.000 1.237 392 I HN -0.360 nan 8.210 nan 0.000 0.435 393 V N 7.561 127.441 119.914 -0.056 0.000 2.313 393 V HA 0.701 4.821 4.120 0.000 0.000 0.278 393 V C 0.478 176.401 176.094 -0.286 0.000 1.017 393 V CA -0.367 61.816 62.300 -0.194 0.000 0.823 393 V CB 1.024 32.722 31.823 -0.209 0.000 1.010 393 V HN 0.779 nan 8.190 nan 0.000 0.443 394 A N 5.423 128.074 122.820 -0.281 0.000 2.305 394 A HA 0.900 5.221 4.320 0.000 0.000 0.322 394 A C -0.940 176.415 177.584 -0.381 0.000 1.187 394 A CA -0.312 51.609 52.037 -0.193 0.000 0.825 394 A CB 0.573 19.602 19.000 0.047 0.000 1.164 394 A HN 0.629 nan 8.150 nan 0.000 0.498 395 F N 1.215 121.162 119.950 -0.005 0.000 2.522 395 F HA 0.549 5.076 4.527 0.000 0.000 0.324 395 F C 0.085 175.836 175.800 -0.081 0.000 1.077 395 F CA -0.634 57.350 58.000 -0.027 0.000 0.944 395 F CB 1.873 40.856 39.000 -0.029 0.000 1.175 395 F HN 0.317 nan 8.300 nan 0.000 0.468 396 L N 2.996 124.299 121.223 0.134 0.000 2.317 396 L HA 0.493 4.833 4.340 0.000 0.000 0.281 396 L C -1.169 175.782 176.870 0.135 0.000 1.024 396 L CA -0.897 53.945 54.840 0.003 0.000 0.810 396 L CB 1.873 43.861 42.059 -0.119 0.000 1.240 396 L HN 0.628 nan 8.230 nan 0.000 0.427 414 I N 4.246 124.779 120.570 -0.062 0.000 2.287 414 I HA 0.297 4.468 4.170 0.000 0.000 0.290 414 I C -0.071 176.043 176.117 -0.005 0.000 1.069 414 I CA -0.421 60.814 61.300 -0.109 0.000 1.237 414 I CB 0.274 38.151 38.000 -0.205 0.000 1.418 414 I HN 0.344 nan 8.210 nan 0.000 0.481 415 I N 7.403 128.011 120.570 0.063 0.000 2.308 415 I HA 0.195 4.366 4.170 0.000 0.000 0.293 415 I C 0.257 176.454 176.117 0.134 0.000 1.078 415 I CA -0.214 61.150 61.300 0.106 0.000 1.292 415 I CB 0.400 38.473 38.000 0.122 0.000 1.423 415 I HN 0.442 nan 8.210 nan 0.000 0.493 416 I N 6.439 127.054 120.570 0.076 0.000 2.243 416 I HA 0.161 4.331 4.170 0.000 0.000 0.297 416 I C 1.390 177.554 176.117 0.077 0.000 1.161 416 I CA 0.085 61.420 61.300 0.059 0.000 1.298 416 I CB 0.777 38.799 38.000 0.038 0.000 1.475 416 I HN 0.681 nan 8.210 nan 0.000 0.561 417 A N 5.672 128.571 122.820 0.131 0.000 2.123 417 A HA 0.064 4.384 4.320 0.000 0.000 0.214 417 A C 1.021 178.661 177.584 0.092 0.000 1.152 417 A CA 0.721 52.845 52.037 0.146 0.000 0.728 417 A CB 0.146 19.320 19.000 0.289 0.000 0.814 417 A HN 0.623 nan 8.150 nan 0.000 0.464 418 K N 0.316 120.752 120.400 0.060 0.000 2.581 418 K HA 0.372 4.693 4.320 0.000 0.000 0.249 418 K C -1.610 175.005 176.600 0.025 0.000 0.966 418 K CA -0.421 55.890 56.287 0.039 0.000 0.811 418 K CB 1.137 33.660 32.500 0.039 0.000 1.223 418 K HN 0.489 nan 8.250 nan 0.000 0.438 419 Q N 3.534 123.349 119.800 0.025 0.000 2.418 419 Q HA 0.437 4.777 4.340 0.000 0.000 0.282 419 Q C -0.708 175.305 176.000 0.021 0.000 1.044 419 Q CA -0.869 54.949 55.803 0.024 0.000 0.813 419 Q CB 1.987 30.741 28.738 0.026 0.000 1.428 419 Q HN 0.611 nan 8.270 nan 0.000 0.402 420 R N 0.652 121.165 120.500 0.021 0.000 2.308 420 R HA 0.165 4.505 4.340 0.000 0.000 0.202 420 R C 0.859 177.169 176.300 0.015 0.000 0.898 420 R CA 0.150 56.260 56.100 0.017 0.000 1.046 420 R CB 0.324 30.634 30.300 0.017 0.000 1.026 420 R HN 0.633 nan 8.270 nan 0.000 0.512 421 N N 0.088 118.798 118.700 0.016 0.000 2.188 421 N HA -0.057 4.684 4.740 0.000 0.000 0.184 421 N C 1.193 176.707 175.510 0.008 0.000 1.018 421 N CA 1.701 54.758 53.050 0.012 0.000 0.858 421 N CB 0.324 38.817 38.487 0.009 0.000 0.989 421 N HN 0.369 nan 8.380 nan 0.000 0.426 422 G N -0.399 108.406 108.800 0.008 0.000 2.229 422 G HA2 0.034 3.994 3.960 0.000 0.000 0.089 422 G HA3 0.034 3.994 3.960 0.000 0.000 0.089 422 G C -2.536 172.369 174.900 0.008 0.000 0.832 422 G CA -0.526 44.578 45.100 0.007 0.000 1.234 422 G HN 0.095 nan 8.290 nan 0.000 0.466 423 P HA 0.505 nan 4.420 nan 0.000 0.268 423 P C -0.775 176.532 177.300 0.012 0.000 1.208 423 P CA -0.041 63.064 63.100 0.007 0.000 0.777 423 P CB 1.506 33.209 31.700 0.004 0.000 0.875 424 V N 1.863 121.785 119.914 0.014 0.000 2.482 424 V HA 0.801 4.922 4.120 0.000 0.000 0.295 424 V C 0.483 176.587 176.094 0.018 0.000 1.026 424 V CA 0.181 62.493 62.300 0.020 0.000 0.856 424 V CB 1.266 33.102 31.823 0.023 0.000 1.001 424 V HN 0.951 nan 8.190 nan 0.000 0.424 425 G N 3.156 111.969 108.800 0.021 0.000 2.348 425 G HA2 0.463 4.423 3.960 0.000 0.000 0.296 425 G HA3 0.463 4.423 3.960 0.000 0.000 0.296 425 G C -1.007 173.905 174.900 0.019 0.000 1.258 425 G CA -0.364 44.746 45.100 0.016 0.000 0.868 425 G HN 0.401 nan 8.290 nan 0.000 0.488 426 T N 0.850 115.412 114.554 0.014 0.000 2.756 426 T HA 0.546 4.897 4.350 0.000 0.000 0.290 426 T C -0.295 174.414 174.700 0.015 0.000 0.985 426 T CA -0.195 61.915 62.100 0.016 0.000 0.955 426 T CB 1.325 70.201 68.868 0.014 0.000 0.930 426 T HN 0.530 nan 8.240 nan 0.000 0.451 427 V N 4.524 124.445 119.914 0.011 0.000 2.370 427 V HA 0.360 4.480 4.120 0.000 0.000 0.279 427 V C 0.213 176.305 176.094 -0.003 0.000 1.029 427 V CA -0.798 61.506 62.300 0.007 0.000 0.870 427 V CB 1.371 33.199 31.823 0.009 0.000 0.984 427 V HN 0.781 nan 8.190 nan 0.000 0.451 428 Q N 3.743 123.547 119.800 0.007 0.000 2.243 428 Q HA 0.695 5.035 4.340 0.000 0.000 0.252 428 Q C -1.137 174.863 176.000 0.001 0.000 0.909 428 Q CA -0.227 55.581 55.803 0.008 0.000 0.922 428 Q CB 1.518 30.269 28.738 0.022 0.000 1.215 428 Q HN 0.666 nan 8.270 nan 0.000 0.427 429 L N 1.217 122.443 121.223 0.006 0.000 2.309 429 L HA 0.858 5.198 4.340 0.000 0.000 0.261 429 L C -0.980 175.946 176.870 0.093 0.000 1.021 429 L CA -1.230 53.626 54.840 0.026 0.000 0.823 429 L CB 2.117 44.165 42.059 -0.018 0.000 1.366 429 L HN 0.673 nan 8.230 nan 0.000 0.423 430 A N 1.106 123.980 122.820 0.090 0.000 2.324 430 A HA 0.707 5.027 4.320 0.000 0.000 0.330 430 A C -1.484 176.167 177.584 0.111 0.000 1.165 430 A CA -0.267 51.823 52.037 0.089 0.000 0.813 430 A CB 1.082 20.107 19.000 0.042 0.000 1.197 430 A HN 0.471 nan 8.150 nan 0.000 0.484 431 F N 2.709 122.572 119.950 -0.145 0.000 2.518 431 F HA 0.520 5.048 4.527 0.000 0.000 0.323 431 F C 0.376 176.045 175.800 -0.218 0.000 1.129 431 F CA -0.915 56.876 58.000 -0.349 0.000 0.920 431 F CB 1.323 39.994 39.000 -0.547 0.000 1.160 431 F HN 0.512 nan 8.300 nan 0.000 0.440 432 I N 4.122 124.255 120.570 -0.729 0.000 2.400 432 I HA -0.117 4.053 4.170 0.000 0.000 0.248 432 I C 1.650 177.436 176.117 -0.551 0.000 1.109 432 I CA 0.732 61.758 61.300 -0.455 0.000 1.425 432 I CB -0.166 37.712 38.000 -0.204 0.000 1.094 432 I HN 0.824 nan 8.210 nan 0.000 0.425 433 K N -0.519 119.302 120.400 -0.965 0.000 10.072 433 K HA -0.343 3.978 4.320 0.000 0.000 0.514 433 K C 1.466 177.850 176.600 -0.360 0.000 0.380 433 K CA 1.936 57.880 56.287 -0.572 0.000 1.951 433 K CB -1.090 31.267 32.500 -0.239 0.000 0.727 433 K HN 0.100 nan 8.250 nan 0.000 1.125 434 E N -0.030 119.959 120.200 -0.352 0.000 2.086 434 E HA -0.200 4.150 4.350 0.000 0.000 0.200 434 E C 1.726 178.036 176.600 -0.485 0.000 1.012 434 E CA 2.490 58.623 56.400 -0.445 0.000 0.812 434 E CB -0.205 29.124 29.700 -0.619 0.000 0.743 434 E HN 0.533 nan 8.360 nan 0.000 0.453 435 Y N -1.079 119.114 120.300 -0.178 0.000 2.500 435 Y HA 0.104 4.654 4.550 0.000 0.000 0.270 435 Y C 0.808 176.610 175.900 -0.164 0.000 1.134 435 Y CA 0.149 58.163 58.100 -0.144 0.000 1.293 435 Y CB 0.336 38.724 38.460 -0.120 0.000 1.063 435 Y HN -0.017 nan 8.280 nan 0.000 0.534 436 N N 0.746 119.333 118.700 -0.188 0.000 2.776 436 N HA -0.220 4.520 4.740 0.000 0.000 0.249 436 N C -0.801 174.606 175.510 -0.172 0.000 1.111 436 N CA 0.488 53.403 53.050 -0.225 0.000 0.711 436 N CB -1.003 37.466 38.487 -0.029 0.000 1.065 436 N HN 0.271 nan 8.380 nan 0.000 0.556 437 K N -0.050 120.189 120.400 -0.268 0.000 2.164 437 K HA 0.377 4.697 4.320 0.000 0.000 0.258 437 K C -0.496 176.010 176.600 -0.155 0.000 0.951 437 K CA -0.587 55.664 56.287 -0.060 0.000 0.844 437 K CB 0.664 33.179 32.500 0.025 0.000 1.099 437 K HN 0.019 nan 8.250 nan 0.000 0.435 438 F N 2.229 122.305 119.950 0.209 0.000 2.404 438 F HA 0.260 4.787 4.527 0.000 0.000 0.345 438 F C 0.136 175.897 175.800 -0.066 0.000 1.110 438 F CA -0.456 57.619 58.000 0.125 0.000 1.130 438 F CB 1.193 40.281 39.000 0.148 0.000 1.129 438 F HN 0.054 nan 8.300 nan 0.000 0.500 439 V N 2.842 122.774 119.914 0.030 0.000 3.102 439 V HA 0.369 4.489 4.120 0.000 0.000 0.312 439 V C -0.013 176.058 176.094 -0.037 0.000 1.135 439 V CA -1.449 60.868 62.300 0.028 0.000 1.022 439 V CB 1.726 33.590 31.823 0.068 0.000 1.056 439 V HN 0.631 nan 8.190 nan 0.000 0.436 440 N N 0.395 119.133 118.700 0.062 0.000 2.250 440 N HA 0.422 5.162 4.740 0.000 0.000 0.256 440 N C -0.629 174.908 175.510 0.044 0.000 1.302 440 N CA 0.081 53.174 53.050 0.071 0.000 0.894 440 N CB 0.450 39.020 38.487 0.137 0.000 1.067 440 N HN 0.477 nan 8.380 nan 0.000 0.487 441 L N 0.000 121.252 121.223 0.048 0.000 2.949 441 L HA 0.000 4.340 4.340 0.000 0.000 0.249 441 L CA 0.000 54.862 54.840 0.036 0.000 0.813 441 L CB 0.000 42.076 42.059 0.029 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502