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 1svv_1_B DATA FIRST_RESID 15 DATA SEQUENCE PYSFVNDYSV GXHPKILDLX ARDNXTQHAG YGQDSHCAKA ARLIGELLER DATA SEQUENCE PDADVHFISG GTQTNLIACS LALRPWEAVI ATQLGHISTH ETGAIEATGH DATA SEQUENCE KVVTAPCPDG KLRVADIESA LHENRSEHXV IPKLVYISNT TEVGTQYTKQ DATA SEQUENCE ELEDISASCK EHGLYLFLDG ARLASALSSP VNDLTLADIA RLTDXFYIGA DATA SEQUENCE TKAGGXFGEA LIILNDALKP NARHLIKQRG ALXAKGWLLG IQFEVLXKDN DATA SEQUENCE LFFELGAHSN KXAAILKAGL EACGIRLAWP SASNQLFPIL ENTXIAELNN DATA SEQUENCE DFDXYTVEPL KDGTCIXRLC TSWATEEKEC HRFVEVLKRL VA 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 P HA 0.000 nan 4.420 nan 0.000 0.216 15 P C 0.000 177.261 177.300 -0.066 0.000 1.155 15 P CA 0.000 63.039 63.100 -0.101 0.000 0.800 15 P CB 0.000 31.660 31.700 -0.067 0.000 0.726 16 Y N 1.371 121.556 120.300 -0.192 0.000 2.442 16 Y HA 0.439 4.989 4.550 -0.000 0.000 0.330 16 Y C 0.724 176.537 175.900 -0.145 0.000 1.129 16 Y CA 0.564 58.567 58.100 -0.161 0.000 1.365 16 Y CB 0.941 39.330 38.460 -0.119 0.000 1.233 16 Y HN 0.351 nan 8.280 nan 0.000 0.529 17 S N 5.379 120.607 115.700 -0.786 0.000 2.457 17 S HA 0.373 4.843 4.470 -0.000 0.000 0.289 17 S C -0.515 173.658 174.600 -0.711 0.000 1.163 17 S CA -0.496 57.377 58.200 -0.546 0.000 1.078 17 S CB -0.080 62.861 63.200 -0.431 0.000 0.987 17 S HN 0.595 nan 8.310 nan 0.000 0.482 18 F N 4.023 123.897 119.950 -0.126 0.000 2.791 18 F HA 0.309 4.836 4.527 -0.000 0.000 0.308 18 F C 1.284 176.989 175.800 -0.158 0.000 1.138 18 F CA -0.296 57.616 58.000 -0.147 0.000 1.294 18 F CB 0.223 39.129 39.000 -0.156 0.000 0.975 18 F HN 0.442 nan 8.300 nan 0.000 0.512 19 V N 0.595 120.479 119.914 -0.051 0.000 2.379 19 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 19 V C 0.623 176.610 176.094 -0.178 0.000 1.044 19 V CA 1.715 63.981 62.300 -0.058 0.000 1.036 19 V CB -0.595 31.184 31.823 -0.073 0.000 0.664 19 V HN 0.601 nan 8.190 nan 0.000 0.453 20 N N -1.179 117.340 118.700 -0.302 0.000 3.106 20 N HA 0.206 4.946 4.740 -0.000 0.000 0.253 20 N C -1.240 174.029 175.510 -0.401 0.000 1.506 20 N CA -0.191 52.587 53.050 -0.452 0.000 0.876 20 N CB 0.493 38.411 38.487 -0.947 0.000 1.452 20 N HN 0.002 nan 8.380 nan 0.000 0.542 21 D N -1.773 118.438 120.400 -0.315 0.000 2.615 21 D HA 0.143 4.783 4.640 -0.000 0.000 0.236 21 D C -0.628 175.713 176.300 0.069 0.000 1.233 21 D CA -0.223 53.724 54.000 -0.088 0.000 0.829 21 D CB -0.830 40.001 40.800 0.051 0.000 1.024 21 D HN 0.658 nan 8.370 nan 0.000 0.490 22 Y N -2.958 117.341 120.300 -0.001 0.000 2.685 22 Y HA 0.548 5.098 4.550 -0.000 0.000 0.284 22 Y C 0.597 176.489 175.900 -0.012 0.000 0.944 22 Y CA -0.993 57.128 58.100 0.035 0.000 1.107 22 Y CB -0.001 38.489 38.460 0.050 0.000 1.188 22 Y HN -0.144 nan 8.280 nan 0.000 0.635 23 S N -0.137 115.480 115.700 -0.138 0.000 2.511 23 S HA 0.268 4.738 4.470 -0.000 0.000 0.214 23 S C 0.488 175.023 174.600 -0.109 0.000 0.997 23 S CA 0.024 58.128 58.200 -0.160 0.000 0.908 23 S CB 0.520 63.551 63.200 -0.282 0.000 0.803 23 S HN 0.232 nan 8.310 nan 0.000 0.504 24 V N 1.191 121.057 119.914 -0.079 0.000 2.815 24 V HA 0.661 4.781 4.120 -0.000 0.000 0.314 24 V C 0.885 177.062 176.094 0.139 0.000 1.064 24 V CA -0.980 61.294 62.300 -0.044 0.000 0.952 24 V CB 1.442 33.128 31.823 -0.228 0.000 1.020 24 V HN 0.342 nan 8.190 nan 0.000 0.439 28 P HA -0.125 nan 4.420 nan 0.000 0.217 28 P C 1.127 178.496 177.300 0.115 0.000 1.148 28 P CA 1.535 64.648 63.100 0.021 0.000 0.834 28 P CB 0.354 32.032 31.700 -0.037 0.000 0.783 29 K N -0.978 119.587 120.400 0.275 0.000 2.097 29 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 29 K C 2.072 178.680 176.600 0.014 0.000 1.050 29 K CA 1.027 57.371 56.287 0.095 0.000 0.938 29 K CB -0.459 32.039 32.500 -0.003 0.000 0.718 29 K HN 0.179 nan 8.250 nan 0.000 0.442 30 I N 0.859 121.422 120.570 -0.013 0.000 2.202 30 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 30 I C 2.304 178.403 176.117 -0.031 0.000 1.091 30 I CA 0.736 62.004 61.300 -0.053 0.000 1.368 30 I CB -0.211 37.731 38.000 -0.097 0.000 1.058 30 I HN 0.094 nan 8.210 nan 0.000 0.410 31 L N 1.125 122.337 121.223 -0.019 0.000 2.081 31 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 31 L C 1.955 178.824 176.870 -0.002 0.000 1.080 31 L CA 2.194 57.025 54.840 -0.015 0.000 0.754 31 L CB -0.624 41.431 42.059 -0.007 0.000 0.893 31 L HN 0.264 nan 8.230 nan 0.000 0.433 32 D N -1.042 119.365 120.400 0.011 0.000 2.117 32 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 32 D C 1.190 177.502 176.300 0.019 0.000 0.987 32 D CA 0.700 54.711 54.000 0.017 0.000 0.829 32 D CB -0.053 40.762 40.800 0.025 0.000 0.961 32 D HN 0.224 nan 8.370 nan 0.000 0.460 36 R N 0.325 120.848 120.500 0.038 0.000 2.119 36 R HA -0.025 4.315 4.340 -0.000 0.000 0.222 36 R C 1.390 177.725 176.300 0.059 0.000 1.088 36 R CA 1.487 57.613 56.100 0.043 0.000 0.984 36 R CB -0.182 30.144 30.300 0.044 0.000 0.884 36 R HN 0.546 nan 8.270 nan 0.000 0.447 37 D N 0.580 121.028 120.400 0.079 0.000 2.269 37 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 37 D C 0.619 176.989 176.300 0.117 0.000 0.963 37 D CA 0.381 54.452 54.000 0.118 0.000 0.864 37 D CB -0.051 40.823 40.800 0.123 0.000 0.936 37 D HN -0.012 nan 8.370 nan 0.000 0.505 41 Q N 2.097 121.650 119.800 -0.411 0.000 2.288 41 Q HA 0.439 4.779 4.340 -0.000 0.000 0.254 41 Q C -0.473 175.062 176.000 -0.776 0.000 0.932 41 Q CA -0.506 55.035 55.803 -0.436 0.000 0.902 41 Q CB 0.790 29.378 28.738 -0.250 0.000 1.203 41 Q HN 0.529 nan 8.270 nan 0.000 0.415 42 H N -0.366 118.361 119.070 -0.572 0.000 2.895 42 H HA 0.445 5.001 4.556 -0.000 0.000 0.373 42 H C -0.854 174.273 175.328 -0.335 0.000 1.174 42 H CA -0.675 55.002 56.048 -0.619 0.000 1.144 42 H CB 1.859 30.799 29.762 -1.371 0.000 1.793 42 H HN 0.768 nan 8.280 nan 0.000 0.551 43 A N 1.223 124.040 122.820 -0.006 0.000 2.386 43 A HA 0.511 4.831 4.320 -0.000 0.000 0.248 43 A C 0.856 178.547 177.584 0.178 0.000 1.082 43 A CA 0.323 52.404 52.037 0.073 0.000 0.789 43 A CB 0.122 19.171 19.000 0.081 0.000 1.025 43 A HN 0.722 nan 8.150 nan 0.000 0.490 44 G N -1.297 107.592 108.800 0.148 0.000 2.547 44 G HA2 0.462 4.422 3.960 -0.000 0.000 0.291 44 G HA3 0.462 4.422 3.960 -0.000 0.000 0.291 44 G C -0.522 174.435 174.900 0.095 0.000 1.211 44 G CA -0.275 44.848 45.100 0.039 0.000 0.950 44 G HN 0.998 nan 8.290 nan 0.000 0.504 45 Y N -1.510 118.871 120.300 0.134 0.000 4.032 45 Y HA -0.219 4.331 4.550 -0.000 0.000 0.230 45 Y C 1.865 177.818 175.900 0.088 0.000 1.202 45 Y CA 1.295 59.438 58.100 0.071 0.000 1.878 45 Y CB -1.573 36.910 38.460 0.038 0.000 1.586 45 Y HN 1.940 nan 8.280 nan 0.000 0.673 46 G N -0.742 108.180 108.800 0.203 0.000 2.162 46 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 46 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 46 G C 0.573 175.593 174.900 0.200 0.000 0.976 46 G CA 0.399 45.623 45.100 0.206 0.000 0.655 46 G HN 0.454 nan 8.290 nan 0.000 0.533 47 Q N 1.312 121.228 119.800 0.194 0.000 2.244 47 Q HA 0.149 4.489 4.340 -0.000 0.000 0.239 47 Q C 0.592 176.675 176.000 0.139 0.000 0.890 47 Q CA 0.751 56.646 55.803 0.153 0.000 0.964 47 Q CB 0.201 29.025 28.738 0.143 0.000 1.076 47 Q HN 0.916 nan 8.270 nan 0.000 0.447 48 D N -2.292 118.205 120.400 0.162 0.000 2.506 48 D HA 0.183 4.823 4.640 -0.000 0.000 0.254 48 D C 0.329 176.702 176.300 0.122 0.000 1.089 48 D CA -0.668 53.427 54.000 0.158 0.000 1.050 48 D CB 1.297 42.226 40.800 0.215 0.000 1.221 48 D HN -0.292 nan 8.370 nan 0.000 0.589 49 S N -1.218 114.542 115.700 0.101 0.000 2.368 49 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 49 S C 1.667 176.230 174.600 -0.062 0.000 1.029 49 S CA 0.729 58.926 58.200 -0.005 0.000 0.988 49 S CB -0.519 62.635 63.200 -0.076 0.000 0.838 49 S HN 0.413 nan 8.310 nan 0.000 0.462 50 H N -0.656 118.421 119.070 0.012 0.000 2.357 50 H HA -0.039 4.517 4.556 -0.000 0.000 0.301 50 H C 2.420 177.716 175.328 -0.053 0.000 1.082 50 H CA 1.419 57.455 56.048 -0.019 0.000 1.342 50 H CB -0.495 29.248 29.762 -0.032 0.000 1.389 50 H HN 0.430 nan 8.280 nan 0.000 0.511 51 C N 0.803 120.152 119.300 0.081 0.000 2.435 51 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 51 C C 3.147 178.247 174.990 0.182 0.000 1.321 51 C CA 0.714 59.760 59.018 0.047 0.000 1.752 51 C CB -0.952 26.896 27.740 0.180 0.000 1.959 51 C HN 0.617 nan 8.230 nan 0.000 0.500 52 A N 0.599 123.487 122.820 0.113 0.000 1.877 52 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 52 A C 2.174 179.793 177.584 0.059 0.000 1.186 52 A CA 2.084 54.169 52.037 0.080 0.000 0.620 52 A CB -0.549 18.478 19.000 0.044 0.000 0.822 52 A HN 0.666 nan 8.150 nan 0.000 0.443 53 K N -0.308 120.110 120.400 0.029 0.000 2.026 53 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 53 K C 2.147 178.777 176.600 0.049 0.000 1.048 53 K CA 1.319 57.617 56.287 0.018 0.000 0.929 53 K CB -0.382 32.107 32.500 -0.018 0.000 0.713 53 K HN 0.327 nan 8.250 nan 0.000 0.439 54 A N 1.149 124.006 122.820 0.062 0.000 1.883 54 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 54 A C 2.397 180.097 177.584 0.193 0.000 1.186 54 A CA 2.105 54.205 52.037 0.105 0.000 0.624 54 A CB -1.130 17.852 19.000 -0.030 0.000 0.822 54 A HN 0.510 nan 8.150 nan 0.000 0.444 55 A N -0.877 122.100 122.820 0.263 0.000 1.978 55 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 55 A C 2.282 179.879 177.584 0.022 0.000 1.170 55 A CA 1.732 53.835 52.037 0.109 0.000 0.636 55 A CB -0.459 18.574 19.000 0.055 0.000 0.810 55 A HN 0.537 nan 8.150 nan 0.000 0.448 56 R N -0.847 119.675 120.500 0.036 0.000 2.075 56 R HA 0.069 4.409 4.340 -0.000 0.000 0.226 56 R C 2.046 178.358 176.300 0.020 0.000 1.114 56 R CA 1.079 57.189 56.100 0.016 0.000 0.972 56 R CB -0.338 29.971 30.300 0.015 0.000 0.869 56 R HN 0.555 nan 8.270 nan 0.000 0.437 57 L N 0.278 121.521 121.223 0.034 0.000 2.046 57 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 57 L C 2.312 179.202 176.870 0.034 0.000 1.077 57 L CA 1.246 56.108 54.840 0.037 0.000 0.747 57 L CB -0.344 41.742 42.059 0.045 0.000 0.896 57 L HN 0.201 nan 8.230 nan 0.000 0.432 58 I N -0.168 120.415 120.570 0.022 0.000 2.202 58 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 58 I C 2.648 178.765 176.117 0.000 0.000 1.091 58 I CA 1.437 62.734 61.300 -0.005 0.000 1.368 58 I CB -0.776 37.183 38.000 -0.068 0.000 1.058 58 I HN 0.254 nan 8.210 nan 0.000 0.410 59 G N 0.247 109.038 108.800 -0.014 0.000 2.469 59 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.220 59 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.220 59 G C 1.658 176.568 174.900 0.017 0.000 1.136 59 G CA 1.374 46.469 45.100 -0.008 0.000 0.759 59 G HN 0.499 nan 8.290 nan 0.000 0.562 60 E N 0.583 120.798 120.200 0.024 0.000 2.158 60 E HA 0.217 4.567 4.350 -0.000 0.000 0.191 60 E C 2.395 179.025 176.600 0.049 0.000 0.982 60 E CA 0.766 57.185 56.400 0.032 0.000 0.823 60 E CB -0.419 29.300 29.700 0.031 0.000 0.766 60 E HN 0.446 nan 8.360 nan 0.000 0.468 61 L N -0.193 121.069 121.223 0.065 0.000 2.141 61 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 61 L C 2.628 179.557 176.870 0.098 0.000 1.094 61 L CA 0.916 55.815 54.840 0.098 0.000 0.763 61 L CB -0.185 41.955 42.059 0.135 0.000 0.908 61 L HN 0.298 nan 8.230 nan 0.000 0.437 62 L N -0.975 120.302 121.223 0.090 0.000 2.492 62 L HA -0.001 4.339 4.340 -0.000 0.000 0.223 62 L C 0.558 177.463 176.870 0.058 0.000 1.132 62 L CA 0.185 55.082 54.840 0.095 0.000 0.850 62 L CB -0.393 41.744 42.059 0.129 0.000 0.966 62 L HN 0.275 nan 8.230 nan 0.000 0.454 63 E N 0.436 120.663 120.200 0.044 0.000 2.586 63 E HA -0.195 4.155 4.350 -0.000 0.000 0.259 63 E C -0.287 176.327 176.600 0.024 0.000 1.107 63 E CA 0.172 56.589 56.400 0.029 0.000 0.754 63 E CB -0.814 28.899 29.700 0.022 0.000 1.335 63 E HN 0.345 nan 8.360 nan 0.000 0.411 64 R N -0.357 120.159 120.500 0.027 0.000 2.607 64 R HA 0.175 4.514 4.340 -0.000 0.000 0.278 64 R C -2.099 174.204 176.300 0.004 0.000 1.637 64 R CA -1.625 54.486 56.100 0.019 0.000 1.325 64 R CB 0.852 31.171 30.300 0.032 0.000 1.211 64 R HN -0.021 nan 8.270 nan 0.000 0.565 65 P HA -0.083 nan 4.420 nan 0.000 0.233 65 P C 0.525 177.812 177.300 -0.022 0.000 1.167 65 P CA 0.825 63.918 63.100 -0.012 0.000 0.770 65 P CB 0.313 32.010 31.700 -0.005 0.000 0.837 66 D N -0.440 119.950 120.400 -0.017 0.000 2.355 66 D HA 0.022 4.662 4.640 -0.000 0.000 0.218 66 D C 0.628 176.905 176.300 -0.037 0.000 1.004 66 D CA -0.074 53.912 54.000 -0.022 0.000 0.880 66 D CB -0.322 40.472 40.800 -0.010 0.000 0.911 66 D HN 0.015 nan 8.370 nan 0.000 0.528 67 A N 0.810 123.602 122.820 -0.045 0.000 2.425 67 A HA 0.176 4.496 4.320 -0.000 0.000 0.249 67 A C -0.302 177.198 177.584 -0.140 0.000 1.084 67 A CA -0.282 51.712 52.037 -0.072 0.000 0.781 67 A CB 0.321 19.284 19.000 -0.061 0.000 1.019 67 A HN -0.060 nan 8.150 nan 0.000 0.490 68 D N 1.118 121.413 120.400 -0.175 0.000 2.312 68 D HA 0.433 5.073 4.640 -0.000 0.000 0.252 68 D C -0.502 175.501 176.300 -0.497 0.000 1.150 68 D CA 0.319 54.129 54.000 -0.316 0.000 0.870 68 D CB 1.336 41.989 40.800 -0.246 0.000 1.153 68 D HN 0.139 nan 8.370 nan 0.000 0.457 69 V N 4.571 124.096 119.914 -0.649 0.000 2.448 69 V HA 0.269 4.388 4.120 -0.000 0.000 0.295 69 V C -0.307 175.171 176.094 -1.026 0.000 1.025 69 V CA -0.684 61.159 62.300 -0.762 0.000 0.859 69 V CB 1.462 32.883 31.823 -0.669 0.000 0.988 69 V HN 0.521 nan 8.190 nan 0.000 0.431 70 H N 4.269 122.948 119.070 -0.651 0.000 2.589 70 H HA 0.487 5.043 4.556 -0.000 0.000 0.351 70 H C -1.216 173.717 175.328 -0.659 0.000 1.074 70 H CA -0.609 55.116 56.048 -0.539 0.000 1.203 70 H CB 1.762 31.352 29.762 -0.285 0.000 1.558 70 H HN 0.446 nan 8.280 nan 0.000 0.522 71 F N 2.961 122.865 119.950 -0.076 0.000 2.410 71 F HA 0.436 4.963 4.527 -0.000 0.000 0.349 71 F C 0.439 176.158 175.800 -0.136 0.000 1.117 71 F CA -0.404 57.499 58.000 -0.162 0.000 1.104 71 F CB 0.829 39.732 39.000 -0.161 0.000 1.122 71 F HN 0.264 nan 8.300 nan 0.000 0.483 72 I N 0.976 121.543 120.570 -0.005 0.000 2.769 72 I HA 0.201 4.371 4.170 -0.000 0.000 0.298 72 I C 0.747 176.781 176.117 -0.139 0.000 1.128 72 I CA -0.373 60.874 61.300 -0.088 0.000 1.031 72 I CB 2.413 40.344 38.000 -0.115 0.000 1.235 72 I HN 0.564 nan 8.210 nan 0.000 0.423 73 S N 2.364 117.960 115.700 -0.174 0.000 2.395 73 S HA 0.192 4.662 4.470 -0.000 0.000 0.225 73 S C 0.544 175.098 174.600 -0.077 0.000 1.027 73 S CA 1.018 59.082 58.200 -0.226 0.000 0.965 73 S CB 0.069 63.183 63.200 -0.144 0.000 0.812 73 S HN 0.851 nan 8.310 nan 0.000 0.482 74 G N -1.571 107.192 108.800 -0.061 0.000 2.680 74 G HA2 0.527 4.487 3.960 -0.000 0.000 0.290 74 G HA3 0.527 4.487 3.960 -0.000 0.000 0.290 74 G C 0.595 175.446 174.900 -0.082 0.000 1.355 74 G CA -0.066 45.015 45.100 -0.031 0.000 0.903 74 G HN 0.228 nan 8.290 nan 0.000 0.474 75 G N -0.792 107.991 108.800 -0.028 0.000 2.408 75 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.215 75 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.215 75 G C 1.555 176.503 174.900 0.080 0.000 1.156 75 G CA 1.864 46.954 45.100 -0.016 0.000 0.793 75 G HN 0.609 nan 8.290 nan 0.000 0.535 76 T N 0.468 115.095 114.554 0.121 0.000 2.746 76 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 76 T C 2.314 177.021 174.700 0.010 0.000 1.039 76 T CA 1.483 63.638 62.100 0.092 0.000 1.142 76 T CB -0.164 68.741 68.868 0.061 0.000 0.866 76 T HN 0.314 nan 8.240 nan 0.000 0.444 77 Q N 0.213 119.999 119.800 -0.023 0.000 2.061 77 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 77 Q C 2.467 178.414 176.000 -0.088 0.000 0.984 77 Q CA 1.749 57.517 55.803 -0.057 0.000 0.846 77 Q CB -0.181 28.519 28.738 -0.065 0.000 0.902 77 Q HN 0.449 nan 8.270 nan 0.000 0.421 78 T N 0.825 115.300 114.554 -0.132 0.000 2.777 78 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 78 T C 1.447 176.100 174.700 -0.078 0.000 1.040 78 T CA 1.228 63.223 62.100 -0.175 0.000 1.141 78 T CB -0.229 68.369 68.868 -0.449 0.000 0.868 78 T HN 0.274 nan 8.240 nan 0.000 0.444 79 N N 1.633 120.353 118.700 0.033 0.000 2.120 79 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 79 N C 1.919 177.377 175.510 -0.087 0.000 1.024 79 N CA 0.999 54.099 53.050 0.082 0.000 0.852 79 N CB -0.568 38.055 38.487 0.228 0.000 1.003 79 N HN 0.446 nan 8.380 nan 0.000 0.424 80 L N -0.769 120.412 121.223 -0.071 0.000 2.109 80 L HA 0.140 4.479 4.340 -0.000 0.000 0.207 80 L C 1.919 178.726 176.870 -0.105 0.000 1.086 80 L CA 1.304 56.095 54.840 -0.081 0.000 0.760 80 L CB -0.820 41.202 42.059 -0.061 0.000 0.910 80 L HN -0.020 nan 8.230 nan 0.000 0.437 81 I N 0.805 121.301 120.570 -0.123 0.000 2.179 81 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 81 I C 2.842 178.842 176.117 -0.194 0.000 1.088 81 I CA 1.301 62.516 61.300 -0.142 0.000 1.357 81 I CB -0.614 37.301 38.000 -0.142 0.000 1.051 81 I HN 0.425 nan 8.210 nan 0.000 0.409 82 A N -0.097 122.555 122.820 -0.278 0.000 1.877 82 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 82 A C 2.441 179.795 177.584 -0.383 0.000 1.186 82 A CA 1.965 53.743 52.037 -0.432 0.000 0.620 82 A CB -1.304 17.141 19.000 -0.925 0.000 0.822 82 A HN 0.557 nan 8.150 nan 0.000 0.443 83 C N -0.967 118.143 119.300 -0.317 0.000 2.429 83 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 83 C C 3.232 178.110 174.990 -0.188 0.000 1.262 83 C CA 1.304 60.187 59.018 -0.225 0.000 1.733 83 C CB -1.311 26.348 27.740 -0.136 0.000 2.010 83 C HN 0.599 nan 8.230 nan 0.000 0.483 84 S N 0.470 116.106 115.700 -0.106 0.000 2.402 84 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 84 S C 1.736 176.276 174.600 -0.100 0.000 1.021 84 S CA 0.917 59.100 58.200 -0.028 0.000 0.974 84 S CB -0.257 62.926 63.200 -0.029 0.000 0.800 84 S HN 0.560 nan 8.310 nan 0.000 0.484 85 L N 0.424 121.551 121.223 -0.161 0.000 2.109 85 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 85 L C 2.452 179.190 176.870 -0.221 0.000 1.086 85 L CA 1.208 55.940 54.840 -0.180 0.000 0.760 85 L CB -0.372 41.566 42.059 -0.201 0.000 0.910 85 L HN 0.334 nan 8.230 nan 0.000 0.437 86 A N -0.973 121.688 122.820 -0.264 0.000 2.147 86 A HA 0.244 4.564 4.320 -0.000 0.000 0.211 86 A C 0.859 178.333 177.584 -0.183 0.000 1.160 86 A CA 0.099 51.953 52.037 -0.305 0.000 0.781 86 A CB 0.116 18.924 19.000 -0.320 0.000 0.842 86 A HN 0.242 nan 8.150 nan 0.000 0.475 87 L N 0.968 122.023 121.223 -0.280 0.000 2.346 87 L HA 0.471 4.811 4.340 -0.000 0.000 0.276 87 L C -0.025 176.624 176.870 -0.369 0.000 1.006 87 L CA -1.154 53.442 54.840 -0.406 0.000 0.817 87 L CB 1.407 42.977 42.059 -0.816 0.000 1.272 87 L HN 0.125 nan 8.230 nan 0.000 0.421 88 R N 2.308 122.541 120.500 -0.445 0.000 2.649 88 R HA 0.236 4.576 4.340 -0.000 0.000 0.270 88 R C -1.650 174.324 176.300 -0.544 0.000 1.105 88 R CA -1.991 53.740 56.100 -0.615 0.000 1.193 88 R CB 0.244 29.859 30.300 -1.142 0.000 1.120 88 R HN 0.280 nan 8.270 nan 0.000 0.561 89 P HA -0.111 nan 4.420 nan 0.000 0.219 89 P C 0.590 177.918 177.300 0.047 0.000 1.146 89 P CA 1.268 64.333 63.100 -0.059 0.000 0.808 89 P CB -0.025 31.697 31.700 0.037 0.000 0.779 90 W N -0.866 120.490 121.300 0.093 0.000 3.316 90 W HA 0.379 5.039 4.660 0.000 0.000 0.327 90 W C 0.010 176.562 176.519 0.056 0.000 1.232 90 W CA -0.455 56.928 57.345 0.063 0.000 1.805 90 W CB -0.838 28.639 29.460 0.028 0.000 1.090 90 W HN -0.145 nan 8.180 nan 0.000 0.654 91 E N 1.102 121.172 120.200 -0.216 0.000 2.250 91 E HA 0.665 5.015 4.350 -0.000 0.000 0.265 91 E C -0.430 176.120 176.600 -0.085 0.000 1.033 91 E CA -0.666 55.651 56.400 -0.139 0.000 0.888 91 E CB 1.585 31.111 29.700 -0.290 0.000 1.151 91 E HN 0.087 nan 8.360 nan 0.000 0.412 92 A N 1.002 123.792 122.820 -0.050 0.000 2.527 92 A HA 0.599 4.918 4.320 -0.000 0.000 0.293 92 A C -1.459 176.112 177.584 -0.022 0.000 1.117 92 A CA -0.655 51.370 52.037 -0.020 0.000 0.723 92 A CB 1.828 20.848 19.000 0.033 0.000 1.313 92 A HN 0.366 nan 8.150 nan 0.000 0.411 93 V N 1.581 121.492 119.914 -0.004 0.000 2.483 93 V HA 0.640 4.760 4.120 -0.000 0.000 0.295 93 V C -0.718 175.409 176.094 0.055 0.000 1.035 93 V CA -0.679 61.638 62.300 0.028 0.000 0.896 93 V CB 1.082 32.915 31.823 0.015 0.000 0.986 93 V HN 0.668 nan 8.190 nan 0.000 0.447 94 I N 6.500 127.123 120.570 0.089 0.000 2.353 94 I HA 0.772 4.942 4.170 -0.000 0.000 0.293 94 I C 0.309 176.519 176.117 0.155 0.000 0.992 94 I CA 0.043 61.401 61.300 0.096 0.000 1.268 94 I CB 1.531 39.581 38.000 0.083 0.000 1.387 94 I HN 0.855 nan 8.210 nan 0.000 0.478 95 A N 3.640 126.545 122.820 0.142 0.000 2.602 95 A HA 0.711 5.030 4.320 -0.000 0.000 0.290 95 A C -0.293 177.382 177.584 0.151 0.000 1.114 95 A CA -0.612 51.551 52.037 0.210 0.000 0.683 95 A CB 1.381 20.495 19.000 0.191 0.000 1.281 95 A HN 0.653 nan 8.150 nan 0.000 0.416 96 T N -1.305 113.354 114.554 0.174 0.000 2.828 96 T HA 0.307 4.657 4.350 -0.000 0.000 0.290 96 T C 0.804 175.555 174.700 0.086 0.000 1.019 96 T CA 0.218 62.387 62.100 0.115 0.000 1.031 96 T CB 0.607 69.540 68.868 0.108 0.000 1.001 96 T HN 0.592 nan 8.240 nan 0.000 0.531 97 Q N 0.038 119.873 119.800 0.058 0.000 2.291 97 Q HA 0.045 4.385 4.340 -0.000 0.000 0.206 97 Q C 1.854 177.867 176.000 0.022 0.000 0.976 97 Q CA 1.039 56.863 55.803 0.035 0.000 0.875 97 Q CB -0.336 28.423 28.738 0.034 0.000 0.927 97 Q HN 0.653 nan 8.270 nan 0.000 0.450 98 L N -0.182 121.061 121.223 0.032 0.000 2.592 98 L HA 0.159 4.499 4.340 -0.000 0.000 0.227 98 L C 1.149 178.060 176.870 0.069 0.000 1.127 98 L CA -0.531 54.317 54.840 0.015 0.000 0.884 98 L CB -0.027 42.008 42.059 -0.039 0.000 1.065 98 L HN 0.059 nan 8.230 nan 0.000 0.457 99 G N -1.716 107.161 108.800 0.129 0.000 2.559 99 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.235 99 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.235 99 G C 0.712 175.742 174.900 0.217 0.000 1.266 99 G CA -0.133 45.128 45.100 0.268 0.000 0.847 99 G HN 0.275 nan 8.290 nan 0.000 0.583 100 H N 1.584 120.785 119.070 0.219 0.000 2.353 100 H HA -0.163 4.393 4.556 -0.000 0.000 0.300 100 H C 2.461 177.803 175.328 0.023 0.000 1.090 100 H CA 1.734 57.881 56.048 0.165 0.000 1.327 100 H CB 0.218 30.141 29.762 0.269 0.000 1.383 100 H HN 0.599 nan 8.280 nan 0.000 0.508 101 I N -1.062 119.401 120.570 -0.179 0.000 2.916 101 I HA -0.070 4.100 4.170 -0.000 0.000 0.267 101 I C 1.522 177.513 176.117 -0.210 0.000 1.263 101 I CA 1.070 62.187 61.300 -0.305 0.000 1.471 101 I CB 0.023 37.726 38.000 -0.496 0.000 1.089 101 I HN 0.002 nan 8.210 nan 0.000 0.468 102 S N 0.233 115.846 115.700 -0.146 0.000 2.524 102 S HA 0.037 4.507 4.470 -0.000 0.000 0.216 102 S C 1.655 176.185 174.600 -0.117 0.000 0.987 102 S CA 0.925 59.065 58.200 -0.099 0.000 0.909 102 S CB 0.000 63.171 63.200 -0.049 0.000 0.781 102 S HN 0.802 nan 8.310 nan 0.000 0.521 103 T N -1.935 112.515 114.554 -0.173 0.000 3.313 103 T HA 0.173 4.523 4.350 -0.000 0.000 0.266 103 T C 0.583 175.128 174.700 -0.258 0.000 0.987 103 T CA -0.056 61.865 62.100 -0.298 0.000 1.086 103 T CB -0.051 68.474 68.868 -0.571 0.000 1.159 103 T HN 0.246 nan 8.240 nan 0.000 0.450 104 H N 1.244 120.278 119.070 -0.060 0.000 2.481 104 H HA 0.525 5.081 4.556 -0.000 0.000 0.273 104 H C 0.008 175.208 175.328 -0.212 0.000 1.145 104 H CA -0.272 55.752 56.048 -0.041 0.000 0.964 104 H CB 0.382 30.241 29.762 0.161 0.000 1.722 104 H HN 0.608 nan 8.280 nan 0.000 0.573 105 E N 0.034 120.153 120.200 -0.135 0.000 2.714 105 E HA 0.071 4.421 4.350 -0.000 0.000 0.219 105 E C -0.096 176.465 176.600 -0.065 0.000 0.979 105 E CA -0.088 56.218 56.400 -0.156 0.000 1.092 105 E CB 0.853 30.398 29.700 -0.258 0.000 1.049 105 E HN 0.112 nan 8.360 nan 0.000 0.487 106 T N 0.776 115.316 114.554 -0.024 0.000 3.852 106 T HA -0.230 4.120 4.350 -0.000 0.000 0.361 106 T C 0.908 175.591 174.700 -0.027 0.000 0.759 106 T CA 0.810 62.904 62.100 -0.009 0.000 1.899 106 T CB -1.758 67.113 68.868 0.005 0.000 1.822 106 T HN 0.696 nan 8.240 nan 0.000 0.778 107 G N -0.619 108.155 108.800 -0.044 0.000 2.221 107 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.265 107 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.265 107 G C 1.073 175.942 174.900 -0.051 0.000 1.041 107 G CA 0.720 45.793 45.100 -0.046 0.000 0.807 107 G HN 1.555 nan 8.290 nan 0.000 0.502 108 A N -0.208 122.575 122.820 -0.062 0.000 1.908 108 A HA 0.072 4.391 4.320 -0.000 0.000 0.218 108 A C 2.405 179.954 177.584 -0.058 0.000 1.181 108 A CA 1.957 53.959 52.037 -0.059 0.000 0.627 108 A CB -0.228 18.733 19.000 -0.064 0.000 0.818 108 A HN 0.603 nan 8.150 nan 0.000 0.445 109 I N -0.020 120.512 120.570 -0.063 0.000 2.252 109 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 109 I C 2.244 178.343 176.117 -0.030 0.000 1.102 109 I CA 1.584 62.861 61.300 -0.039 0.000 1.385 109 I CB -1.758 36.212 38.000 -0.049 0.000 1.064 109 I HN 0.338 nan 8.210 nan 0.000 0.414 110 E N 1.357 121.533 120.200 -0.040 0.000 2.160 110 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 110 E C 2.251 178.809 176.600 -0.070 0.000 0.991 110 E CA 1.449 57.822 56.400 -0.045 0.000 0.810 110 E CB -0.367 29.312 29.700 -0.033 0.000 0.742 110 E HN 0.495 nan 8.360 nan 0.000 0.466 111 A N 0.507 123.288 122.820 -0.065 0.000 2.119 111 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 111 A C 2.207 179.734 177.584 -0.096 0.000 1.153 111 A CA 1.599 53.595 52.037 -0.069 0.000 0.692 111 A CB -0.772 18.197 19.000 -0.052 0.000 0.799 111 A HN 0.367 nan 8.150 nan 0.000 0.458 112 T N -4.670 109.815 114.554 -0.115 0.000 3.148 112 T HA 0.385 4.735 4.350 -0.000 0.000 0.253 112 T C 1.297 175.769 174.700 -0.379 0.000 1.134 112 T CA 1.126 63.122 62.100 -0.173 0.000 1.051 112 T CB 0.054 68.866 68.868 -0.094 0.000 0.959 112 T HN 1.580 nan 8.240 nan 0.000 0.525 113 G N 0.467 109.057 108.800 -0.351 0.000 2.163 113 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.213 113 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.213 113 G C -0.231 174.395 174.900 -0.456 0.000 0.991 113 G CA -0.182 44.673 45.100 -0.408 0.000 0.653 113 G HN 0.777 nan 8.290 nan 0.000 0.518 114 H N -0.407 118.634 119.070 -0.048 0.000 2.679 114 H HA 0.657 5.213 4.556 -0.000 0.000 0.367 114 H C 0.064 175.370 175.328 -0.036 0.000 1.162 114 H CA -0.721 55.299 56.048 -0.047 0.000 1.181 114 H CB 1.791 31.512 29.762 -0.068 0.000 1.693 114 H HN 0.183 nan 8.280 nan 0.000 0.538 115 K N 1.647 122.118 120.400 0.119 0.000 2.143 115 K HA 0.386 4.706 4.320 -0.000 0.000 0.272 115 K C -1.061 175.563 176.600 0.040 0.000 1.001 115 K CA -0.595 55.726 56.287 0.057 0.000 0.915 115 K CB 0.913 33.445 32.500 0.054 0.000 1.047 115 K HN 0.320 nan 8.250 nan 0.000 0.458 116 V N 4.841 124.763 119.914 0.014 0.000 2.333 116 V HA 0.169 4.289 4.120 -0.000 0.000 0.274 116 V C -0.387 175.714 176.094 0.013 0.000 1.028 116 V CA -0.874 61.426 62.300 -0.000 0.000 0.851 116 V CB 1.250 33.054 31.823 -0.032 0.000 1.000 116 V HN 0.514 nan 8.190 nan 0.000 0.456 117 V N 5.565 125.494 119.914 0.025 0.000 2.406 117 V HA 0.379 4.498 4.120 -0.000 0.000 0.272 117 V C 0.730 176.846 176.094 0.038 0.000 1.043 117 V CA -0.179 62.140 62.300 0.031 0.000 0.915 117 V CB 1.581 33.425 31.823 0.035 0.000 0.988 117 V HN 1.020 nan 8.190 nan 0.000 0.466 118 T N 2.529 117.104 114.554 0.034 0.000 2.943 118 T HA 0.864 5.214 4.350 -0.000 0.000 0.284 118 T C -0.280 174.448 174.700 0.046 0.000 1.015 118 T CA -0.600 61.525 62.100 0.042 0.000 1.042 118 T CB 2.057 70.944 68.868 0.032 0.000 1.055 118 T HN 0.935 nan 8.240 nan 0.000 0.500 119 A N 2.509 125.362 122.820 0.055 0.000 2.356 119 A HA 0.751 5.071 4.320 -0.000 0.000 0.310 119 A C -2.874 174.741 177.584 0.052 0.000 1.075 119 A CA -2.130 49.938 52.037 0.053 0.000 0.746 119 A CB 1.255 20.290 19.000 0.058 0.000 1.221 119 A HN 0.697 nan 8.150 nan 0.000 0.443 120 P HA 0.307 nan 4.420 nan 0.000 0.277 120 P C -0.811 176.519 177.300 0.050 0.000 1.354 120 P CA 0.025 63.153 63.100 0.047 0.000 0.891 120 P CB 0.035 31.760 31.700 0.042 0.000 1.058 121 C N 6.929 126.262 119.300 0.055 0.000 2.437 121 C HA 0.263 4.723 4.460 -0.000 0.000 0.307 121 C C -0.961 174.068 174.990 0.065 0.000 1.093 121 C CA -1.337 57.713 59.018 0.053 0.000 1.463 121 C CB 0.881 28.650 27.740 0.048 0.000 1.926 121 C HN 0.427 nan 8.230 nan 0.000 0.420 122 P HA -0.124 nan 4.420 nan 0.000 0.221 122 P C 0.912 178.373 177.300 0.267 0.000 1.145 122 P CA 1.500 64.695 63.100 0.158 0.000 0.795 122 P CB 0.110 31.882 31.700 0.120 0.000 0.775 123 D N -2.067 118.426 120.400 0.155 0.000 2.388 123 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 123 D C 1.306 177.542 176.300 -0.108 0.000 1.133 123 D CA 0.080 54.153 54.000 0.123 0.000 0.831 123 D CB -0.836 40.033 40.800 0.114 0.000 0.962 123 D HN 0.158 nan 8.370 nan 0.000 0.502 124 G N 0.431 109.171 108.800 -0.101 0.000 2.184 124 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 124 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 124 G C 0.152 174.993 174.900 -0.099 0.000 0.975 124 G CA 0.274 45.293 45.100 -0.135 0.000 0.642 124 G HN 0.448 nan 8.290 nan 0.000 0.536 125 K N 0.211 120.539 120.400 -0.120 0.000 2.244 125 K HA 0.553 4.872 4.320 -0.000 0.000 0.260 125 K C 0.448 177.075 176.600 0.045 0.000 0.951 125 K CA -0.815 55.367 56.287 -0.175 0.000 0.826 125 K CB 1.701 33.948 32.500 -0.421 0.000 1.108 125 K HN 0.127 nan 8.250 nan 0.000 0.433 126 L N 3.270 124.630 121.223 0.227 0.000 2.439 126 L HA 0.224 4.564 4.340 -0.000 0.000 0.269 126 L C 0.359 177.340 176.870 0.185 0.000 1.179 126 L CA 0.370 55.324 54.840 0.190 0.000 0.828 126 L CB 0.631 42.803 42.059 0.188 0.000 1.106 126 L HN 0.544 nan 8.230 nan 0.000 0.467 127 R N 0.958 121.526 120.500 0.113 0.000 2.912 127 R HA 0.315 4.655 4.340 -0.000 0.000 0.262 127 R C 0.791 177.134 176.300 0.071 0.000 1.057 127 R CA -0.880 55.275 56.100 0.092 0.000 0.981 127 R CB 1.808 32.145 30.300 0.063 0.000 1.201 127 R HN 0.364 nan 8.270 nan 0.000 0.484 128 V N 1.019 120.969 119.914 0.060 0.000 2.343 128 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 128 V C 2.093 178.210 176.094 0.038 0.000 1.051 128 V CA 2.454 64.784 62.300 0.051 0.000 1.036 128 V CB -0.655 31.200 31.823 0.054 0.000 0.654 128 V HN 0.959 nan 8.190 nan 0.000 0.451 129 A N -0.145 122.696 122.820 0.035 0.000 1.940 129 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 129 A C 2.006 179.604 177.584 0.023 0.000 1.176 129 A CA 2.032 54.084 52.037 0.024 0.000 0.631 129 A CB -0.542 18.472 19.000 0.023 0.000 0.814 129 A HN 0.587 nan 8.150 nan 0.000 0.446 130 D N -0.038 120.382 120.400 0.034 0.000 2.117 130 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 130 D C 1.945 178.262 176.300 0.028 0.000 0.982 130 D CA 1.214 55.236 54.000 0.038 0.000 0.828 130 D CB -0.274 40.558 40.800 0.053 0.000 0.967 130 D HN 0.529 nan 8.370 nan 0.000 0.464 131 I N 1.584 122.166 120.570 0.021 0.000 2.142 131 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 131 I C 3.009 179.092 176.117 -0.056 0.000 1.078 131 I CA 1.772 63.069 61.300 -0.005 0.000 1.343 131 I CB -0.617 37.383 38.000 0.000 0.000 1.046 131 I HN 0.025 nan 8.210 nan 0.000 0.405 132 E N 0.362 120.521 120.200 -0.068 0.000 2.097 132 E HA -0.311 4.039 4.350 -0.000 0.000 0.196 132 E C 2.284 178.867 176.600 -0.027 0.000 1.000 132 E CA 1.932 58.273 56.400 -0.100 0.000 0.804 132 E CB -1.065 28.608 29.700 -0.045 0.000 0.740 132 E HN 0.545 nan 8.360 nan 0.000 0.454 133 S N -0.425 115.281 115.700 0.010 0.000 2.406 133 S HA 0.190 4.660 4.470 -0.000 0.000 0.228 133 S C 2.437 177.077 174.600 0.067 0.000 1.020 133 S CA 1.467 59.701 58.200 0.057 0.000 0.965 133 S CB -0.316 62.912 63.200 0.047 0.000 0.798 133 S HN 0.854 nan 8.310 nan 0.000 0.488 134 A N 1.365 124.205 122.820 0.033 0.000 1.969 134 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 134 A C 2.195 179.790 177.584 0.019 0.000 1.169 134 A CA 1.175 53.229 52.037 0.027 0.000 0.635 134 A CB -0.653 18.361 19.000 0.023 0.000 0.810 134 A HN 0.585 nan 8.150 nan 0.000 0.445 135 L N -1.801 119.420 121.223 -0.003 0.000 2.240 135 L HA -0.102 4.237 4.340 -0.000 0.000 0.211 135 L C 2.543 179.439 176.870 0.045 0.000 1.106 135 L CA 1.364 56.196 54.840 -0.014 0.000 0.793 135 L CB -0.455 41.536 42.059 -0.114 0.000 0.927 135 L HN 0.608 nan 8.230 nan 0.000 0.446 136 H N 0.489 119.541 119.070 -0.029 0.000 2.372 136 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 136 H C 2.198 177.529 175.328 0.005 0.000 1.065 136 H CA 1.920 57.964 56.048 -0.008 0.000 1.364 136 H CB 0.211 29.970 29.762 -0.006 0.000 1.406 136 H HN 0.289 nan 8.280 nan 0.000 0.521 137 E N 0.691 120.860 120.200 -0.051 0.000 2.208 137 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 137 E C 0.576 177.131 176.600 -0.076 0.000 0.988 137 E CA 0.928 57.269 56.400 -0.098 0.000 0.828 137 E CB -0.258 29.436 29.700 -0.010 0.000 0.763 137 E HN 0.540 nan 8.360 nan 0.000 0.478 138 N N 1.078 119.756 118.700 -0.037 0.000 2.699 138 N HA 0.256 4.996 4.740 -0.000 0.000 0.232 138 N C -0.619 174.888 175.510 -0.005 0.000 1.027 138 N CA -0.156 52.890 53.050 -0.007 0.000 0.920 138 N CB 0.985 39.483 38.487 0.019 0.000 1.148 138 N HN 0.545 nan 8.380 nan 0.000 0.509 139 R N -0.167 120.324 120.500 -0.014 0.000 2.808 139 R HA 0.670 5.010 4.340 -0.000 0.000 0.272 139 R C -0.437 175.870 176.300 0.011 0.000 0.995 139 R CA -0.734 55.362 56.100 -0.007 0.000 0.917 139 R CB 1.476 31.756 30.300 -0.034 0.000 1.217 139 R HN 0.359 nan 8.270 nan 0.000 0.471 140 S N -0.441 115.260 115.700 0.002 0.000 3.883 140 S HA -0.175 4.295 4.470 -0.000 0.000 0.706 140 S C 0.734 175.291 174.600 -0.072 0.000 1.196 140 S CA 0.286 58.478 58.200 -0.014 0.000 1.261 140 S CB -0.651 62.589 63.200 0.068 0.000 0.459 140 S HN 1.010 nan 8.310 nan 0.000 0.760 141 E N 1.192 121.271 120.200 -0.201 0.000 2.472 141 E HA -0.092 4.258 4.350 -0.000 0.000 0.200 141 E C 0.727 177.149 176.600 -0.297 0.000 1.046 141 E CA 0.971 57.197 56.400 -0.289 0.000 0.871 141 E CB -0.424 29.053 29.700 -0.371 0.000 0.806 141 E HN 0.783 nan 8.360 nan 0.000 0.533 145 I N 2.467 123.141 120.570 0.174 0.000 2.328 145 I HA 0.482 4.652 4.170 -0.000 0.000 0.287 145 I C -2.517 173.651 176.117 0.085 0.000 1.012 145 I CA -1.908 59.477 61.300 0.142 0.000 1.195 145 I CB 2.036 40.172 38.000 0.227 0.000 1.350 145 I HN 0.475 nan 8.210 nan 0.000 0.464 146 P HA 0.112 nan 4.420 nan 0.000 0.271 146 P C -0.051 177.265 177.300 0.028 0.000 1.220 146 P CA -0.070 63.051 63.100 0.035 0.000 0.768 146 P CB 1.071 32.787 31.700 0.028 0.000 0.848 147 K N 2.510 122.922 120.400 0.020 0.000 2.544 147 K HA 0.300 4.620 4.320 -0.000 0.000 0.213 147 K C -0.588 176.054 176.600 0.070 0.000 1.392 147 K CA 0.102 56.399 56.287 0.016 0.000 0.980 147 K CB 0.320 32.821 32.500 0.001 0.000 1.177 147 K HN 0.293 nan 8.250 nan 0.000 0.570 148 L N 0.940 122.216 121.223 0.088 0.000 2.386 148 L HA 0.621 4.961 4.340 -0.000 0.000 0.271 148 L C -1.489 175.469 176.870 0.147 0.000 0.993 148 L CA -0.881 54.051 54.840 0.152 0.000 0.819 148 L CB 2.186 44.313 42.059 0.114 0.000 1.294 148 L HN -0.184 nan 8.230 nan 0.000 0.414 149 V N 4.690 124.712 119.914 0.181 0.000 2.459 149 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 149 V C -1.216 175.034 176.094 0.260 0.000 1.029 149 V CA -0.530 61.875 62.300 0.176 0.000 0.874 149 V CB 1.427 33.316 31.823 0.110 0.000 0.985 149 V HN 0.705 nan 8.190 nan 0.000 0.438 150 Y N 6.930 127.316 120.300 0.144 0.000 2.328 150 Y HA 0.783 5.333 4.550 -0.000 0.000 0.336 150 Y C -0.320 175.638 175.900 0.097 0.000 0.960 150 Y CA -0.865 57.352 58.100 0.195 0.000 1.134 150 Y CB 1.267 39.873 38.460 0.242 0.000 1.166 150 Y HN 0.667 nan 8.280 nan 0.000 0.464 151 I N 1.604 121.877 120.570 -0.495 0.000 2.892 151 I HA 0.799 4.969 4.170 -0.000 0.000 0.306 151 I C -1.089 174.628 176.117 -0.666 0.000 1.078 151 I CA -0.962 60.063 61.300 -0.458 0.000 1.032 151 I CB 2.547 40.276 38.000 -0.452 0.000 1.229 151 I HN 0.429 nan 8.210 nan 0.000 0.435 152 S N 2.543 118.064 115.700 -0.298 0.000 2.521 152 S HA 0.538 5.008 4.470 -0.000 0.000 0.295 152 S C -0.866 173.734 174.600 0.001 0.000 1.098 152 S CA -0.527 57.548 58.200 -0.208 0.000 0.999 152 S CB 1.303 64.461 63.200 -0.070 0.000 1.034 152 S HN 0.693 nan 8.310 nan 0.000 0.483 153 N N 2.025 120.692 118.700 -0.055 0.000 2.549 153 N HA 0.329 5.069 4.740 -0.000 0.000 0.281 153 N C -0.304 175.210 175.510 0.008 0.000 1.084 153 N CA -0.307 52.764 53.050 0.035 0.000 0.862 153 N CB 1.175 39.678 38.487 0.026 0.000 1.333 153 N HN 0.677 nan 8.380 nan 0.000 0.523 154 T N -0.357 114.212 114.554 0.025 0.000 2.748 154 T HA 0.301 4.651 4.350 -0.000 0.000 0.304 154 T C 1.030 175.741 174.700 0.018 0.000 1.041 154 T CA -0.416 61.701 62.100 0.028 0.000 1.033 154 T CB 0.369 69.249 68.868 0.021 0.000 0.995 154 T HN 0.484 nan 8.240 nan 0.000 0.536 155 T N -0.887 113.663 114.554 -0.007 0.000 2.770 155 T HA 0.293 4.643 4.350 -0.000 0.000 0.281 155 T C 0.810 175.492 174.700 -0.029 0.000 0.981 155 T CA -0.556 61.532 62.100 -0.021 0.000 0.955 155 T CB 0.322 69.131 68.868 -0.097 0.000 1.060 155 T HN 0.593 nan 8.240 nan 0.000 0.531 156 E N -0.218 119.963 120.200 -0.032 0.000 2.482 156 E HA 0.074 4.424 4.350 -0.000 0.000 0.196 156 E C 1.431 177.962 176.600 -0.114 0.000 1.047 156 E CA 0.536 56.931 56.400 -0.009 0.000 0.869 156 E CB -0.232 29.504 29.700 0.059 0.000 0.836 156 E HN 0.589 nan 8.360 nan 0.000 0.520 157 V N -4.331 115.381 119.914 -0.336 0.000 3.214 157 V HA 0.561 4.681 4.120 -0.000 0.000 0.330 157 V C 1.262 177.194 176.094 -0.271 0.000 1.403 157 V CA 0.219 62.074 62.300 -0.743 0.000 1.143 157 V CB -0.024 30.717 31.823 -1.804 0.000 1.098 157 V HN 0.201 nan 8.190 nan 0.000 0.463 158 G N 1.063 109.851 108.800 -0.020 0.000 2.225 158 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 158 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 158 G C 0.493 175.398 174.900 0.009 0.000 0.988 158 G CA 0.738 45.887 45.100 0.081 0.000 0.625 158 G HN 1.177 nan 8.290 nan 0.000 0.527 159 T N -1.127 113.381 114.554 -0.078 0.000 2.726 159 T HA 0.588 4.938 4.350 -0.000 0.000 0.294 159 T C 0.020 174.654 174.700 -0.109 0.000 1.013 159 T CA 0.720 62.767 62.100 -0.088 0.000 0.996 159 T CB 1.545 70.328 68.868 -0.141 0.000 1.016 159 T HN 1.437 nan 8.240 nan 0.000 0.529 160 Q N -0.740 118.980 119.800 -0.134 0.000 2.575 160 Q HA 0.410 4.750 4.340 -0.000 0.000 0.290 160 Q C -1.952 173.956 176.000 -0.153 0.000 0.963 160 Q CA -1.164 54.579 55.803 -0.100 0.000 0.783 160 Q CB 0.891 29.629 28.738 0.000 0.000 1.467 160 Q HN 0.691 nan 8.270 nan 0.000 0.402 161 Y N 1.155 121.431 120.300 -0.040 0.000 2.299 161 Y HA 0.354 4.904 4.550 -0.000 0.000 0.326 161 Y C 0.981 176.860 175.900 -0.035 0.000 1.164 161 Y CA 0.230 58.306 58.100 -0.040 0.000 1.234 161 Y CB 1.750 40.175 38.460 -0.058 0.000 1.219 161 Y HN 0.736 nan 8.280 nan 0.000 0.497 162 T N -1.351 113.274 114.554 0.119 0.000 2.824 162 T HA 0.182 4.532 4.350 -0.000 0.000 0.277 162 T C 1.155 175.890 174.700 0.059 0.000 0.975 162 T CA -0.856 61.282 62.100 0.062 0.000 0.966 162 T CB 1.149 70.037 68.868 0.034 0.000 1.054 162 T HN 0.770 nan 8.240 nan 0.000 0.533 163 K N -0.312 120.101 120.400 0.021 0.000 2.148 163 K HA -0.143 4.176 4.320 -0.000 0.000 0.204 163 K C 2.257 178.859 176.600 0.003 0.000 1.050 163 K CA 1.110 57.397 56.287 -0.001 0.000 0.942 163 K CB -0.130 32.362 32.500 -0.014 0.000 0.724 163 K HN 0.619 nan 8.250 nan 0.000 0.446 164 Q N 1.292 121.101 119.800 0.015 0.000 2.083 164 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 164 Q C 1.408 177.426 176.000 0.029 0.000 0.969 164 Q CA 1.717 57.529 55.803 0.015 0.000 0.838 164 Q CB 0.114 28.860 28.738 0.015 0.000 0.900 164 Q HN 0.350 nan 8.270 nan 0.000 0.436 165 E N -0.371 119.864 120.200 0.059 0.000 2.058 165 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 165 E C 1.765 178.409 176.600 0.074 0.000 0.997 165 E CA 1.234 57.696 56.400 0.103 0.000 0.801 165 E CB -0.211 29.605 29.700 0.194 0.000 0.746 165 E HN 0.254 nan 8.360 nan 0.000 0.450 166 L N 1.235 122.475 121.223 0.029 0.000 2.201 166 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 166 L C 2.044 178.877 176.870 -0.061 0.000 1.105 166 L CA 1.737 56.530 54.840 -0.079 0.000 0.775 166 L CB -0.163 41.821 42.059 -0.124 0.000 0.913 166 L HN -0.001 nan 8.230 nan 0.000 0.440 167 E N -0.909 119.274 120.200 -0.029 0.000 2.158 167 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 167 E C 1.637 178.230 176.600 -0.011 0.000 0.982 167 E CA 1.039 57.424 56.400 -0.024 0.000 0.823 167 E CB 0.092 29.782 29.700 -0.017 0.000 0.766 167 E HN 0.482 nan 8.360 nan 0.000 0.468 168 D N -0.000 120.402 120.400 0.003 0.000 2.123 168 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 168 D C 1.931 178.242 176.300 0.018 0.000 0.976 168 D CA 0.786 54.795 54.000 0.016 0.000 0.831 168 D CB -0.088 40.729 40.800 0.028 0.000 0.974 168 D HN 0.263 nan 8.370 nan 0.000 0.469 169 I N 0.536 121.111 120.570 0.009 0.000 2.179 169 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 169 I C 2.528 178.644 176.117 -0.002 0.000 1.088 169 I CA 0.939 62.241 61.300 0.002 0.000 1.357 169 I CB -0.175 37.800 38.000 -0.042 0.000 1.051 169 I HN -0.065 nan 8.210 nan 0.000 0.409 170 S N 0.304 115.990 115.700 -0.024 0.000 2.370 170 S HA -0.213 4.257 4.470 -0.000 0.000 0.226 170 S C 2.176 176.776 174.600 0.001 0.000 1.033 170 S CA 1.564 59.753 58.200 -0.018 0.000 1.011 170 S CB -0.248 62.930 63.200 -0.037 0.000 0.852 170 S HN 0.481 nan 8.310 nan 0.000 0.457 171 A N 0.324 123.145 122.820 0.001 0.000 1.930 171 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 171 A C 2.384 179.976 177.584 0.013 0.000 1.175 171 A CA 1.978 54.016 52.037 0.001 0.000 0.627 171 A CB -1.295 17.703 19.000 -0.003 0.000 0.815 171 A HN 0.613 nan 8.150 nan 0.000 0.443 172 S N -0.988 114.740 115.700 0.046 0.000 2.383 172 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 172 S C 1.972 176.671 174.600 0.164 0.000 1.030 172 S CA 1.686 59.957 58.200 0.118 0.000 1.002 172 S CB -0.845 62.439 63.200 0.140 0.000 0.829 172 S HN 0.643 nan 8.310 nan 0.000 0.467 173 C N 0.948 120.304 119.300 0.093 0.000 2.429 173 C HA 0.069 4.529 4.460 -0.000 0.000 0.277 173 C C 2.684 177.695 174.990 0.034 0.000 1.262 173 C CA 1.143 60.206 59.018 0.075 0.000 1.733 173 C CB -1.126 26.643 27.740 0.049 0.000 2.010 173 C HN 0.650 nan 8.230 nan 0.000 0.483 174 K N 0.906 121.311 120.400 0.007 0.000 2.097 174 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 174 K C 2.039 178.605 176.600 -0.056 0.000 1.049 174 K CA 1.226 57.499 56.287 -0.023 0.000 0.933 174 K CB -0.202 32.286 32.500 -0.020 0.000 0.717 174 K HN 0.500 nan 8.250 nan 0.000 0.442 175 E N -0.881 119.264 120.200 -0.091 0.000 2.077 175 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 175 E C 0.982 177.402 176.600 -0.299 0.000 0.989 175 E CA 1.296 57.559 56.400 -0.228 0.000 0.800 175 E CB 0.070 29.560 29.700 -0.350 0.000 0.746 175 E HN 0.513 nan 8.360 nan 0.000 0.452 176 H N -1.860 117.198 119.070 -0.020 0.000 2.551 176 H HA 0.241 4.797 4.556 -0.000 0.000 0.271 176 H C 0.671 175.974 175.328 -0.042 0.000 0.984 176 H CA 0.362 56.399 56.048 -0.019 0.000 1.164 176 H CB 1.224 30.983 29.762 -0.005 0.000 1.437 176 H HN 0.275 nan 8.280 nan 0.000 0.550 177 G N 1.195 109.999 108.800 0.006 0.000 2.246 177 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.273 177 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.273 177 G C -0.209 174.602 174.900 -0.149 0.000 1.055 177 G CA 0.090 45.144 45.100 -0.078 0.000 0.851 177 G HN 0.272 nan 8.290 nan 0.000 0.500 178 L N -1.068 120.096 121.223 -0.098 0.000 2.344 178 L HA 0.677 5.017 4.340 -0.000 0.000 0.272 178 L C 0.470 177.256 176.870 -0.139 0.000 1.035 178 L CA -1.553 53.223 54.840 -0.107 0.000 0.807 178 L CB 0.890 42.958 42.059 0.015 0.000 1.237 178 L HN 0.055 nan 8.230 nan 0.000 0.442 179 Y N 1.474 121.799 120.300 0.041 0.000 2.301 179 Y HA 0.449 4.999 4.550 -0.000 0.000 0.325 179 Y C -0.061 175.884 175.900 0.075 0.000 1.203 179 Y CA -0.485 57.646 58.100 0.051 0.000 1.255 179 Y CB 1.239 39.724 38.460 0.041 0.000 1.232 179 Y HN 0.269 nan 8.280 nan 0.000 0.501 180 L N 4.326 125.702 121.223 0.254 0.000 2.333 180 L HA 0.563 4.903 4.340 -0.000 0.000 0.280 180 L C -1.747 175.259 176.870 0.226 0.000 1.004 180 L CA -0.878 54.066 54.840 0.174 0.000 0.820 180 L CB 0.877 42.977 42.059 0.067 0.000 1.247 180 L HN 0.487 nan 8.230 nan 0.000 0.416 181 F N 5.941 125.928 119.950 0.061 0.000 2.529 181 F HA 0.641 5.168 4.527 -0.000 0.000 0.320 181 F C -1.768 174.022 175.800 -0.016 0.000 1.118 181 F CA -0.841 57.203 58.000 0.074 0.000 0.915 181 F CB 1.547 40.627 39.000 0.132 0.000 1.161 181 F HN 0.476 nan 8.300 nan 0.000 0.445 182 L N 6.318 127.058 121.223 -0.805 0.000 2.313 182 L HA 0.420 4.760 4.340 -0.000 0.000 0.283 182 L C -1.008 175.241 176.870 -1.036 0.000 1.013 182 L CA -0.589 53.780 54.840 -0.784 0.000 0.816 182 L CB 0.956 42.742 42.059 -0.454 0.000 1.236 182 L HN 0.627 nan 8.230 nan 0.000 0.419 183 D N 3.771 123.623 120.400 -0.913 0.000 2.339 183 D HA 0.220 4.860 4.640 -0.000 0.000 0.241 183 D C 0.493 176.415 176.300 -0.630 0.000 1.183 183 D CA -0.128 53.466 54.000 -0.676 0.000 0.859 183 D CB 1.708 42.373 40.800 -0.226 0.000 1.067 183 D HN 0.702 nan 8.370 nan 0.000 0.484 184 G N 2.835 111.054 108.800 -0.967 0.000 3.959 184 G HA2 0.341 4.301 3.960 -0.000 0.000 0.298 184 G HA3 0.341 4.301 3.960 -0.000 0.000 0.298 184 G C 1.223 175.933 174.900 -0.316 0.000 1.211 184 G CA 0.275 45.088 45.100 -0.477 0.000 1.001 184 G HN 0.567 nan 8.290 nan 0.000 0.561 185 A N 1.302 123.971 122.820 -0.251 0.000 1.927 185 A HA -0.127 4.192 4.320 -0.000 0.000 0.220 185 A C 2.028 179.681 177.584 0.115 0.000 1.185 185 A CA 1.032 53.142 52.037 0.122 0.000 0.639 185 A CB -0.112 18.978 19.000 0.149 0.000 0.820 185 A HN 0.376 nan 8.150 nan 0.000 0.451 186 R N -1.185 119.348 120.500 0.056 0.000 2.767 186 R HA 0.301 4.641 4.340 -0.000 0.000 0.377 186 R C 0.556 176.893 176.300 0.062 0.000 1.151 186 R CA -0.386 55.753 56.100 0.065 0.000 1.046 186 R CB 0.124 30.453 30.300 0.050 0.000 1.404 186 R HN 0.344 nan 8.270 nan 0.000 0.580 187 L N 1.054 122.343 121.223 0.110 0.000 2.201 187 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 187 L C 2.151 179.122 176.870 0.169 0.000 1.105 187 L CA 1.593 56.536 54.840 0.171 0.000 0.775 187 L CB -0.251 41.965 42.059 0.262 0.000 0.913 187 L HN 0.299 nan 8.230 nan 0.000 0.440 188 A N -1.679 121.106 122.820 -0.059 0.000 1.877 188 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 188 A C 2.542 180.034 177.584 -0.154 0.000 1.186 188 A CA 1.950 53.651 52.037 -0.560 0.000 0.620 188 A CB -1.119 17.203 19.000 -1.131 0.000 0.822 188 A HN 0.471 nan 8.150 nan 0.000 0.443 189 S N -0.423 115.236 115.700 -0.068 0.000 2.382 189 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 189 S C 2.152 176.773 174.600 0.035 0.000 1.027 189 S CA 1.628 59.827 58.200 -0.000 0.000 0.991 189 S CB -0.497 62.711 63.200 0.012 0.000 0.823 189 S HN 0.822 nan 8.310 nan 0.000 0.469 190 A N 1.415 124.267 122.820 0.052 0.000 1.877 190 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 190 A C 2.153 179.783 177.584 0.077 0.000 1.186 190 A CA 1.307 53.381 52.037 0.062 0.000 0.620 190 A CB -0.698 18.342 19.000 0.067 0.000 0.822 190 A HN 0.577 nan 8.150 nan 0.000 0.443 191 L N -0.300 121.005 121.223 0.137 0.000 2.554 191 L HA 0.031 4.371 4.340 -0.000 0.000 0.226 191 L C 1.642 178.564 176.870 0.087 0.000 1.137 191 L CA 0.704 55.628 54.840 0.139 0.000 0.863 191 L CB -0.053 42.190 42.059 0.306 0.000 0.985 191 L HN 0.287 nan 8.230 nan 0.000 0.451 192 S N -1.166 114.606 115.700 0.121 0.000 2.540 192 S HA 0.024 4.494 4.470 -0.000 0.000 0.218 192 S C 0.908 175.532 174.600 0.041 0.000 0.977 192 S CA -0.126 58.126 58.200 0.086 0.000 0.918 192 S CB 0.298 63.570 63.200 0.120 0.000 0.806 192 S HN 0.331 nan 8.310 nan 0.000 0.496 193 S N 2.392 118.111 115.700 0.033 0.000 2.576 193 S HA 0.201 4.671 4.470 -0.000 0.000 0.276 193 S C -1.727 172.878 174.600 0.008 0.000 1.339 193 S CA -1.304 56.908 58.200 0.018 0.000 1.039 193 S CB 0.798 64.010 63.200 0.019 0.000 0.902 193 S HN -0.014 nan 8.310 nan 0.000 0.516 194 P HA -0.067 nan 4.420 nan 0.000 0.218 194 P C 1.299 178.599 177.300 -0.001 0.000 1.149 194 P CA 0.969 64.070 63.100 0.001 0.000 0.817 194 P CB -0.270 31.431 31.700 0.001 0.000 0.785 195 V N -3.540 116.376 119.914 0.002 0.000 3.573 195 V HA 0.063 4.183 4.120 -0.000 0.000 0.270 195 V C 0.748 176.843 176.094 0.001 0.000 1.221 195 V CA 0.119 62.420 62.300 0.002 0.000 1.163 195 V CB -1.768 30.057 31.823 0.003 0.000 0.847 195 V HN -0.011 nan 8.190 nan 0.000 0.468 196 N N 2.341 121.041 118.700 0.001 0.000 2.514 196 N HA 0.243 4.983 4.740 -0.000 0.000 0.277 196 N C 0.117 175.620 175.510 -0.011 0.000 1.126 196 N CA 0.277 53.327 53.050 0.000 0.000 0.978 196 N CB 1.242 39.731 38.487 0.004 0.000 1.106 196 N HN 0.518 nan 8.380 nan 0.000 0.461 197 D N 2.295 122.689 120.400 -0.010 0.000 2.563 197 D HA 0.139 4.779 4.640 -0.000 0.000 0.237 197 D C -0.342 175.942 176.300 -0.028 0.000 1.282 197 D CA -0.116 53.871 54.000 -0.020 0.000 0.816 197 D CB -0.421 40.371 40.800 -0.014 0.000 1.066 197 D HN 0.291 nan 8.370 nan 0.000 0.501 198 L N 1.179 122.386 121.223 -0.027 0.000 2.343 198 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 198 L C 0.737 177.576 176.870 -0.051 0.000 1.056 198 L CA -0.409 54.408 54.840 -0.038 0.000 0.804 198 L CB 1.799 43.838 42.059 -0.034 0.000 1.203 198 L HN 0.063 nan 8.230 nan 0.000 0.440 199 T N -1.093 113.427 114.554 -0.057 0.000 2.938 199 T HA 0.430 4.780 4.350 -0.000 0.000 0.285 199 T C 1.040 175.727 174.700 -0.022 0.000 1.028 199 T CA -0.856 61.212 62.100 -0.054 0.000 1.005 199 T CB 1.075 69.909 68.868 -0.058 0.000 1.157 199 T HN 0.430 nan 8.240 nan 0.000 0.550 200 L N 0.565 121.819 121.223 0.051 0.000 2.141 200 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 200 L C 3.174 180.047 176.870 0.005 0.000 1.094 200 L CA 1.355 56.242 54.840 0.078 0.000 0.763 200 L CB -0.909 41.291 42.059 0.235 0.000 0.908 200 L HN 0.950 nan 8.230 nan 0.000 0.437 201 A N 0.103 122.932 122.820 0.014 0.000 1.883 201 A HA -0.253 4.066 4.320 -0.000 0.000 0.217 201 A C 1.932 179.486 177.584 -0.049 0.000 1.186 201 A CA 2.068 54.103 52.037 -0.002 0.000 0.624 201 A CB -0.530 18.472 19.000 0.002 0.000 0.822 201 A HN 0.356 nan 8.150 nan 0.000 0.444 202 D N 0.014 120.371 120.400 -0.070 0.000 2.104 202 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 202 D C 1.871 178.075 176.300 -0.160 0.000 0.994 202 D CA 1.369 55.313 54.000 -0.094 0.000 0.830 202 D CB -0.373 40.375 40.800 -0.086 0.000 0.959 202 D HN 0.542 nan 8.370 nan 0.000 0.452 203 I N 1.163 121.579 120.570 -0.257 0.000 2.252 203 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 203 I C 2.503 178.311 176.117 -0.515 0.000 1.102 203 I CA 0.918 61.933 61.300 -0.475 0.000 1.385 203 I CB -0.191 37.373 38.000 -0.726 0.000 1.064 203 I HN -0.086 nan 8.210 nan 0.000 0.414 204 A N 0.620 123.221 122.820 -0.365 0.000 1.933 204 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 204 A C 2.436 180.002 177.584 -0.030 0.000 1.175 204 A CA 1.715 53.715 52.037 -0.062 0.000 0.628 204 A CB -0.627 18.429 19.000 0.092 0.000 0.814 204 A HN 0.348 nan 8.150 nan 0.000 0.444 205 R N -0.747 119.718 120.500 -0.059 0.000 2.092 205 R HA 0.064 4.404 4.340 -0.000 0.000 0.231 205 R C 1.394 177.670 176.300 -0.039 0.000 1.119 205 R CA 1.254 57.333 56.100 -0.034 0.000 0.970 205 R CB -0.184 30.094 30.300 -0.037 0.000 0.864 205 R HN 0.523 nan 8.270 nan 0.000 0.440 206 L N -0.021 121.155 121.223 -0.079 0.000 2.616 206 L HA 0.156 4.496 4.340 -0.000 0.000 0.229 206 L C 0.420 177.253 176.870 -0.062 0.000 1.110 206 L CA -0.041 54.755 54.840 -0.072 0.000 0.884 206 L CB 0.840 42.840 42.059 -0.099 0.000 1.115 206 L HN 0.182 nan 8.230 nan 0.000 0.481 207 T N -4.434 110.085 114.554 -0.059 0.000 2.932 207 T HA 0.413 4.763 4.350 -0.000 0.000 0.289 207 T C -0.365 174.390 174.700 0.092 0.000 1.039 207 T CA -0.947 61.154 62.100 0.001 0.000 1.024 207 T CB 2.390 71.229 68.868 -0.049 0.000 1.090 207 T HN -0.158 nan 8.240 nan 0.000 0.496 211 Y N 0.830 121.067 120.300 -0.105 0.000 2.524 211 Y HA 0.860 5.410 4.550 -0.000 0.000 0.347 211 Y C -1.821 174.073 175.900 -0.011 0.000 1.005 211 Y CA -2.272 55.730 58.100 -0.163 0.000 1.025 211 Y CB 1.596 40.072 38.460 0.027 0.000 1.275 211 Y HN 0.721 nan 8.280 nan 0.000 0.460 212 I N 3.679 124.321 120.570 0.119 0.000 2.339 212 I HA 0.531 4.701 4.170 -0.000 0.000 0.290 212 I C 0.504 176.889 176.117 0.445 0.000 0.994 212 I CA -0.902 60.507 61.300 0.181 0.000 1.191 212 I CB 1.606 39.621 38.000 0.025 0.000 1.343 212 I HN 0.984 nan 8.210 nan 0.000 0.458 213 G N 3.691 112.755 108.800 0.440 0.000 2.325 213 G HA2 0.480 4.440 3.960 -0.000 0.000 0.298 213 G HA3 0.480 4.440 3.960 -0.000 0.000 0.298 213 G C 0.511 175.649 174.900 0.397 0.000 1.134 213 G CA -0.224 45.173 45.100 0.496 0.000 0.876 213 G HN 0.811 nan 8.290 nan 0.000 0.452 214 A N 2.177 125.146 122.820 0.249 0.000 2.063 214 A HA 0.156 4.476 4.320 -0.000 0.000 0.211 214 A C 2.319 179.944 177.584 0.069 0.000 1.177 214 A CA 1.492 53.523 52.037 -0.010 0.000 0.759 214 A CB -0.269 18.394 19.000 -0.561 0.000 0.857 214 A HN 0.538 nan 8.150 nan 0.000 0.468 215 T N 0.782 115.424 114.554 0.146 0.000 2.685 215 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 215 T C 1.567 176.400 174.700 0.221 0.000 1.034 215 T CA 2.060 64.261 62.100 0.169 0.000 1.149 215 T CB -0.201 68.754 68.868 0.146 0.000 0.860 215 T HN 0.532 nan 8.240 nan 0.000 0.449 216 K N 0.214 120.753 120.400 0.230 0.000 2.358 216 K HA 0.447 4.767 4.320 -0.000 0.000 0.197 216 K C 1.004 177.766 176.600 0.271 0.000 1.025 216 K CA 0.017 56.469 56.287 0.276 0.000 1.104 216 K CB 0.736 33.379 32.500 0.238 0.000 0.855 216 K HN 0.193 nan 8.250 nan 0.000 0.531 217 A N 0.135 123.069 122.820 0.190 0.000 2.594 217 A HA 0.508 4.828 4.320 -0.000 0.000 0.292 217 A C 0.855 178.330 177.584 -0.181 0.000 1.026 217 A CA 0.165 52.240 52.037 0.063 0.000 0.983 217 A CB 0.290 19.268 19.000 -0.036 0.000 1.233 217 A HN 0.277 nan 8.150 nan 0.000 0.519 218 G N -1.325 107.241 108.800 -0.389 0.000 2.428 218 G HA2 0.072 4.032 3.960 -0.000 0.000 0.199 218 G HA3 0.072 4.032 3.960 -0.000 0.000 0.199 218 G C 0.812 175.415 174.900 -0.496 0.000 1.005 218 G CA 0.110 44.608 45.100 -1.003 0.000 0.671 218 G HN 1.372 nan 8.290 nan 0.000 0.485 222 G N 1.626 110.454 108.800 0.046 0.000 3.226 222 G HA2 0.421 4.381 3.960 -0.000 0.000 0.685 222 G HA3 0.421 4.381 3.960 -0.000 0.000 0.685 222 G C -1.919 173.169 174.900 0.314 0.000 1.207 222 G CA -0.707 44.438 45.100 0.077 0.000 0.877 222 G HN 0.884 nan 8.290 nan 0.000 0.585 223 E N 0.252 120.613 120.200 0.268 0.000 2.272 223 E HA 0.702 5.051 4.350 -0.000 0.000 0.269 223 E C -0.013 176.636 176.600 0.081 0.000 0.877 223 E CA -0.543 56.017 56.400 0.266 0.000 0.755 223 E CB 2.189 31.821 29.700 -0.113 0.000 1.192 223 E HN 1.492 nan 8.360 nan 0.000 0.422 224 A N 3.076 125.850 122.820 -0.076 0.000 2.280 224 A HA 0.381 4.700 4.320 -0.000 0.000 0.320 224 A C -0.485 176.912 177.584 -0.313 0.000 1.366 224 A CA -0.642 51.108 52.037 -0.480 0.000 0.938 224 A CB -0.057 18.411 19.000 -0.886 0.000 1.157 224 A HN 0.426 nan 8.150 nan 0.000 0.536 225 L N 5.111 126.164 121.223 -0.283 0.000 2.315 225 L HA 0.342 4.682 4.340 -0.000 0.000 0.283 225 L C -0.549 176.144 176.870 -0.295 0.000 1.089 225 L CA -0.019 54.721 54.840 -0.167 0.000 0.833 225 L CB 0.188 42.207 42.059 -0.067 0.000 1.170 225 L HN 0.522 nan 8.230 nan 0.000 0.442 226 I N 7.203 127.550 120.570 -0.370 0.000 2.312 226 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 226 I C 0.031 176.050 176.117 -0.164 0.000 1.008 226 I CA -0.339 60.725 61.300 -0.393 0.000 1.226 226 I CB 0.837 38.418 38.000 -0.698 0.000 1.371 226 I HN 0.498 nan 8.210 nan 0.000 0.468 227 I N 6.875 127.379 120.570 -0.109 0.000 2.339 227 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 227 I C 0.721 176.829 176.117 -0.015 0.000 0.994 227 I CA -0.268 61.017 61.300 -0.025 0.000 1.191 227 I CB 1.719 39.715 38.000 -0.006 0.000 1.343 227 I HN 0.513 nan 8.210 nan 0.000 0.458 228 L N 4.194 125.438 121.223 0.035 0.000 2.445 228 L HA 0.203 4.543 4.340 -0.000 0.000 0.207 228 L C 1.171 178.066 176.870 0.042 0.000 1.053 228 L CA 0.170 55.038 54.840 0.047 0.000 0.841 228 L CB -0.060 42.055 42.059 0.094 0.000 1.074 228 L HN 0.583 nan 8.230 nan 0.000 0.479 229 N N 1.068 119.799 118.700 0.052 0.000 2.475 229 N HA -0.068 4.672 4.740 -0.000 0.000 0.267 229 N C -0.035 175.494 175.510 0.031 0.000 1.169 229 N CA 0.217 53.304 53.050 0.063 0.000 0.947 229 N CB 1.394 39.948 38.487 0.112 0.000 1.061 229 N HN 0.062 nan 8.380 nan 0.000 0.466 230 D N 3.042 123.464 120.400 0.036 0.000 2.219 230 D HA -0.057 4.583 4.640 -0.000 0.000 0.205 230 D C 1.466 177.775 176.300 0.015 0.000 0.970 230 D CA 0.840 54.852 54.000 0.020 0.000 0.851 230 D CB -0.011 40.802 40.800 0.021 0.000 0.943 230 D HN 0.686 nan 8.370 nan 0.000 0.488 231 A N 0.129 122.970 122.820 0.036 0.000 2.067 231 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 231 A C 2.127 179.693 177.584 -0.030 0.000 1.158 231 A CA 0.647 52.704 52.037 0.033 0.000 0.661 231 A CB -0.440 18.625 19.000 0.108 0.000 0.801 231 A HN 0.239 nan 8.150 nan 0.000 0.452 232 L N -1.363 119.809 121.223 -0.084 0.000 2.509 232 L HA -0.002 4.338 4.340 -0.000 0.000 0.222 232 L C 2.224 179.040 176.870 -0.089 0.000 1.123 232 L CA 0.536 55.283 54.840 -0.155 0.000 0.856 232 L CB -0.228 41.682 42.059 -0.247 0.000 0.985 232 L HN 0.304 nan 8.230 nan 0.000 0.456 233 K N 0.396 120.771 120.400 -0.042 0.000 2.031 233 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 233 K C -1.379 175.218 176.600 -0.005 0.000 1.049 233 K CA 0.288 56.571 56.287 -0.007 0.000 0.939 233 K CB -1.101 31.402 32.500 0.004 0.000 0.717 233 K HN 0.213 nan 8.250 nan 0.000 0.438 234 P HA 0.024 nan 4.420 nan 0.000 0.264 234 P C -0.741 176.533 177.300 -0.043 0.000 1.193 234 P CA 0.468 63.553 63.100 -0.024 0.000 0.763 234 P CB 0.381 32.061 31.700 -0.034 0.000 0.810 235 N N 1.110 119.799 118.700 -0.020 0.000 2.741 235 N HA -0.254 4.486 4.740 -0.000 0.000 0.251 235 N C 1.064 176.573 175.510 -0.001 0.000 1.112 235 N CA 1.085 54.133 53.050 -0.003 0.000 0.750 235 N CB -1.475 36.895 38.487 -0.195 0.000 1.119 235 N HN 0.543 nan 8.380 nan 0.000 0.561 236 A N 0.638 123.418 122.820 -0.066 0.000 1.948 236 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 236 A C 2.237 179.684 177.584 -0.227 0.000 1.177 236 A CA 1.822 53.750 52.037 -0.181 0.000 0.636 236 A CB -0.343 18.487 19.000 -0.284 0.000 0.815 236 A HN 0.483 nan 8.150 nan 0.000 0.449 237 R N -1.778 118.612 120.500 -0.183 0.000 2.115 237 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 237 R C 2.020 178.248 176.300 -0.119 0.000 1.111 237 R CA 1.472 57.468 56.100 -0.173 0.000 0.976 237 R CB -0.430 29.803 30.300 -0.111 0.000 0.870 237 R HN 0.724 nan 8.270 nan 0.000 0.445 238 H N 0.175 119.167 119.070 -0.130 0.000 2.353 238 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 238 H C 1.817 177.077 175.328 -0.114 0.000 1.090 238 H CA 1.563 57.545 56.048 -0.110 0.000 1.327 238 H CB -0.111 29.598 29.762 -0.088 0.000 1.383 238 H HN 0.047 nan 8.280 nan 0.000 0.508 239 L N 0.326 121.551 121.223 0.004 0.000 2.056 239 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 239 L C 1.932 178.750 176.870 -0.086 0.000 1.078 239 L CA 1.380 56.188 54.840 -0.054 0.000 0.749 239 L CB -0.520 41.488 42.059 -0.085 0.000 0.901 239 L HN 0.277 nan 8.230 nan 0.000 0.433 240 I N -0.407 120.089 120.570 -0.123 0.000 2.208 240 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 240 I C 2.490 178.550 176.117 -0.096 0.000 1.097 240 I CA 1.439 62.663 61.300 -0.127 0.000 1.363 240 I CB -0.383 37.515 38.000 -0.170 0.000 1.051 240 I HN 0.267 nan 8.210 nan 0.000 0.413 241 K N 1.264 121.600 120.400 -0.107 0.000 2.026 241 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 241 K C 2.147 178.701 176.600 -0.077 0.000 1.048 241 K CA 1.683 57.905 56.287 -0.108 0.000 0.929 241 K CB -0.400 31.998 32.500 -0.170 0.000 0.713 241 K HN 0.289 nan 8.250 nan 0.000 0.439 242 Q N -0.324 119.437 119.800 -0.065 0.000 2.170 242 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 242 Q C 1.100 177.072 176.000 -0.046 0.000 0.976 242 Q CA 1.175 56.949 55.803 -0.048 0.000 0.858 242 Q CB 0.127 28.842 28.738 -0.037 0.000 0.907 242 Q HN 0.133 nan 8.270 nan 0.000 0.433 243 R N -0.912 119.557 120.500 -0.053 0.000 2.334 243 R HA 0.119 4.459 4.340 -0.000 0.000 0.220 243 R C 0.879 177.154 176.300 -0.041 0.000 0.917 243 R CA 0.739 56.810 56.100 -0.049 0.000 1.073 243 R CB 0.345 30.610 30.300 -0.060 0.000 1.056 243 R HN 0.444 nan 8.270 nan 0.000 0.506 244 G N 0.319 109.097 108.800 -0.038 0.000 2.137 244 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.237 244 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.237 244 G C 0.611 175.500 174.900 -0.018 0.000 1.002 244 G CA 0.324 45.410 45.100 -0.022 0.000 0.702 244 G HN 0.466 nan 8.290 nan 0.000 0.515 245 A N -1.207 121.593 122.820 -0.032 0.000 2.431 245 A HA 0.755 5.075 4.320 -0.000 0.000 0.239 245 A C 0.927 178.495 177.584 -0.026 0.000 1.230 245 A CA 0.746 52.760 52.037 -0.038 0.000 0.928 245 A CB 0.352 19.315 19.000 -0.063 0.000 1.006 245 A HN 0.933 nan 8.150 nan 0.000 0.520 249 K N 1.720 121.879 120.400 -0.402 0.000 2.518 249 K HA 0.349 4.669 4.320 -0.000 0.000 0.244 249 K C 1.147 177.302 176.600 -0.742 0.000 1.232 249 K CA 0.292 56.092 56.287 -0.811 0.000 1.189 249 K CB 0.304 32.185 32.500 -1.032 0.000 1.737 249 K HN 0.462 nan 8.250 nan 0.000 0.333 250 G N 1.077 109.699 108.800 -0.297 0.000 2.471 250 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.219 250 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.219 250 G C 1.205 176.038 174.900 -0.110 0.000 1.125 250 G CA 0.114 45.130 45.100 -0.140 0.000 0.775 250 G HN 0.792 nan 8.290 nan 0.000 0.548 251 W N 0.678 121.896 121.300 -0.137 0.000 2.421 251 W HA 0.104 4.764 4.660 -0.000 0.000 0.270 251 W C 1.600 177.964 176.519 -0.259 0.000 1.233 251 W CA 0.274 57.482 57.345 -0.228 0.000 1.226 251 W CB -0.473 28.734 29.460 -0.421 0.000 1.121 251 W HN 0.090 nan 8.180 nan 0.000 0.579 252 L N 0.622 121.488 121.223 -0.594 0.000 2.156 252 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 252 L C 2.628 179.455 176.870 -0.071 0.000 1.095 252 L CA 0.853 55.490 54.840 -0.337 0.000 0.770 252 L CB -0.637 41.209 42.059 -0.354 0.000 0.914 252 L HN 0.119 nan 8.230 nan 0.000 0.439 253 L N -0.531 120.573 121.223 -0.199 0.000 2.027 253 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 253 L C 2.730 179.455 176.870 -0.240 0.000 1.074 253 L CA 1.370 56.046 54.840 -0.273 0.000 0.745 253 L CB -1.230 40.621 42.059 -0.347 0.000 0.898 253 L HN 0.285 nan 8.230 nan 0.000 0.433 254 G N 0.389 108.956 108.800 -0.388 0.000 2.469 254 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 254 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 254 G C 1.608 176.391 174.900 -0.194 0.000 1.150 254 G CA 0.907 45.700 45.100 -0.512 0.000 0.763 254 G HN 0.293 nan 8.290 nan 0.000 0.561 255 I N 0.357 120.859 120.570 -0.113 0.000 2.286 255 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 255 I C 2.948 179.023 176.117 -0.071 0.000 1.115 255 I CA 0.828 62.089 61.300 -0.065 0.000 1.392 255 I CB -0.076 37.845 38.000 -0.133 0.000 1.065 255 I HN 0.148 nan 8.210 nan 0.000 0.418 256 Q N 0.168 119.912 119.800 -0.095 0.000 2.077 256 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 256 Q C 2.151 177.955 176.000 -0.326 0.000 0.989 256 Q CA 2.027 57.707 55.803 -0.206 0.000 0.853 256 Q CB -0.636 27.947 28.738 -0.259 0.000 0.907 256 Q HN 0.487 nan 8.270 nan 0.000 0.418 257 F N 0.868 120.723 119.950 -0.158 0.000 2.416 257 F HA -0.013 4.514 4.527 -0.000 0.000 0.296 257 F C 2.426 178.159 175.800 -0.112 0.000 1.099 257 F CA 0.834 58.751 58.000 -0.139 0.000 1.427 257 F CB -0.145 38.778 39.000 -0.128 0.000 1.079 257 F HN 0.201 nan 8.300 nan 0.000 0.536 258 E N 0.522 120.754 120.200 0.054 0.000 2.204 258 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 258 E C 1.802 178.405 176.600 0.004 0.000 0.990 258 E CA 1.443 57.866 56.400 0.038 0.000 0.821 258 E CB -0.073 29.664 29.700 0.062 0.000 0.750 258 E HN 0.262 nan 8.360 nan 0.000 0.477 259 V N 1.145 121.035 119.914 -0.040 0.000 2.500 259 V HA 0.000 4.120 4.120 -0.000 0.000 0.243 259 V C 1.706 177.732 176.094 -0.114 0.000 1.039 259 V CA 0.589 62.841 62.300 -0.079 0.000 1.053 259 V CB -0.223 31.534 31.823 -0.111 0.000 0.695 259 V HN 0.183 nan 8.190 nan 0.000 0.463 263 D N 2.173 122.601 120.400 0.047 0.000 2.870 263 D HA -0.195 4.445 4.640 -0.000 0.000 0.228 263 D C 0.344 176.694 176.300 0.084 0.000 1.147 263 D CA 1.651 55.684 54.000 0.055 0.000 0.757 263 D CB -1.275 39.542 40.800 0.030 0.000 1.091 263 D HN 0.786 nan 8.370 nan 0.000 0.429 264 N N -1.777 117.004 118.700 0.135 0.000 2.753 264 N HA -0.290 4.450 4.740 -0.000 0.000 0.251 264 N C 1.034 176.645 175.510 0.168 0.000 1.097 264 N CA 0.630 53.820 53.050 0.234 0.000 0.786 264 N CB -0.665 37.959 38.487 0.228 0.000 1.137 264 N HN 0.366 nan 8.380 nan 0.000 0.566 265 L N 0.323 121.585 121.223 0.065 0.000 2.046 265 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 265 L C 1.940 178.800 176.870 -0.016 0.000 1.077 265 L CA 1.946 56.778 54.840 -0.014 0.000 0.747 265 L CB -0.735 41.251 42.059 -0.121 0.000 0.896 265 L HN 0.354 nan 8.230 nan 0.000 0.432 266 F N -0.075 119.745 119.950 -0.217 0.000 2.065 266 F HA -0.304 4.223 4.527 -0.000 0.000 0.298 266 F C 1.982 177.617 175.800 -0.275 0.000 1.112 266 F CA 1.984 59.782 58.000 -0.336 0.000 1.212 266 F CB -0.593 38.086 39.000 -0.536 0.000 0.975 266 F HN 0.123 nan 8.300 nan 0.000 0.476 267 F N 0.578 120.574 119.950 0.077 0.000 2.407 267 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 267 F C 2.315 178.107 175.800 -0.013 0.000 1.097 267 F CA 1.159 59.149 58.000 -0.017 0.000 1.422 267 F CB -0.995 38.053 39.000 0.080 0.000 1.067 267 F HN 0.080 nan 8.300 nan 0.000 0.539 268 E N 0.272 120.565 120.200 0.154 0.000 2.107 268 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 268 E C 2.248 178.917 176.600 0.116 0.000 0.982 268 E CA 0.697 57.173 56.400 0.125 0.000 0.809 268 E CB -0.187 29.575 29.700 0.103 0.000 0.756 268 E HN 0.387 nan 8.360 nan 0.000 0.459 269 L N 0.079 121.337 121.223 0.059 0.000 2.109 269 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 269 L C 2.529 179.474 176.870 0.126 0.000 1.086 269 L CA 1.037 55.947 54.840 0.116 0.000 0.760 269 L CB -0.584 41.504 42.059 0.047 0.000 0.910 269 L HN 0.230 nan 8.230 nan 0.000 0.437 270 G N -0.171 108.623 108.800 -0.010 0.000 2.418 270 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 270 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 270 G C 1.791 176.732 174.900 0.068 0.000 1.158 270 G CA 0.801 45.893 45.100 -0.014 0.000 0.771 270 G HN 0.445 nan 8.290 nan 0.000 0.545 271 A N 0.424 123.303 122.820 0.098 0.000 1.902 271 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 271 A C 2.053 179.699 177.584 0.104 0.000 1.181 271 A CA 2.035 54.128 52.037 0.093 0.000 0.623 271 A CB -0.831 18.229 19.000 0.101 0.000 0.818 271 A HN 0.562 nan 8.150 nan 0.000 0.443 272 H N 0.715 119.823 119.070 0.064 0.000 2.319 272 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 272 H C 2.484 177.841 175.328 0.047 0.000 1.092 272 H CA 2.701 58.789 56.048 0.066 0.000 1.302 272 H CB -0.065 29.760 29.762 0.105 0.000 1.373 272 H HN 0.550 nan 8.280 nan 0.000 0.497 273 S N -0.038 115.765 115.700 0.172 0.000 2.356 273 S HA -0.197 4.273 4.470 -0.000 0.000 0.223 273 S C 2.026 176.618 174.600 -0.014 0.000 1.032 273 S CA 1.343 59.595 58.200 0.087 0.000 1.005 273 S CB -0.318 62.951 63.200 0.115 0.000 0.867 273 S HN 0.521 nan 8.310 nan 0.000 0.449 274 N N 1.609 120.306 118.700 -0.005 0.000 2.166 274 N HA -0.013 4.727 4.740 -0.000 0.000 0.186 274 N C 0.994 176.468 175.510 -0.061 0.000 1.019 274 N CA 0.844 53.878 53.050 -0.026 0.000 0.856 274 N CB -0.685 37.801 38.487 -0.002 0.000 0.993 274 N HN 0.468 nan 8.380 nan 0.000 0.426 278 A N 0.496 123.248 122.820 -0.113 0.000 2.019 278 A HA 0.088 4.408 4.320 -0.000 0.000 0.219 278 A C 1.877 179.406 177.584 -0.091 0.000 1.164 278 A CA 1.692 53.678 52.037 -0.084 0.000 0.644 278 A CB -0.660 18.304 19.000 -0.060 0.000 0.805 278 A HN 0.593 nan 8.150 nan 0.000 0.449 279 I N -0.476 120.016 120.570 -0.130 0.000 2.286 279 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 279 I C 2.290 178.328 176.117 -0.133 0.000 1.104 279 I CA 0.845 62.063 61.300 -0.136 0.000 1.397 279 I CB -0.245 37.606 38.000 -0.248 0.000 1.072 279 I HN 0.279 nan 8.210 nan 0.000 0.417 280 L N 0.587 121.690 121.223 -0.201 0.000 2.017 280 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 280 L C 2.606 179.398 176.870 -0.130 0.000 1.073 280 L CA 1.487 56.184 54.840 -0.238 0.000 0.745 280 L CB -0.609 41.152 42.059 -0.496 0.000 0.894 280 L HN 0.213 nan 8.230 nan 0.000 0.432 281 K N 0.457 120.786 120.400 -0.119 0.000 2.097 281 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 281 K C 2.108 178.688 176.600 -0.033 0.000 1.049 281 K CA 1.279 57.526 56.287 -0.066 0.000 0.933 281 K CB -0.054 32.414 32.500 -0.054 0.000 0.717 281 K HN 0.251 nan 8.250 nan 0.000 0.442 282 A N 0.585 123.385 122.820 -0.033 0.000 1.898 282 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 282 A C 2.367 179.950 177.584 -0.002 0.000 1.181 282 A CA 1.646 53.675 52.037 -0.013 0.000 0.620 282 A CB -1.174 17.821 19.000 -0.009 0.000 0.819 282 A HN 0.530 nan 8.150 nan 0.000 0.442 283 G N -0.027 108.775 108.800 0.003 0.000 2.418 283 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 283 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 283 G C 1.551 176.461 174.900 0.016 0.000 1.158 283 G CA 1.081 46.192 45.100 0.018 0.000 0.771 283 G HN 0.425 nan 8.290 nan 0.000 0.545 284 L N 0.011 121.248 121.223 0.024 0.000 2.046 284 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 284 L C 2.818 179.693 176.870 0.007 0.000 1.077 284 L CA 1.297 56.151 54.840 0.023 0.000 0.747 284 L CB -0.343 41.731 42.059 0.026 0.000 0.896 284 L HN 0.246 nan 8.230 nan 0.000 0.432 285 E N -0.207 119.995 120.200 0.003 0.000 2.274 285 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 285 E C 2.185 178.785 176.600 -0.001 0.000 0.996 285 E CA 0.805 57.205 56.400 0.001 0.000 0.840 285 E CB -0.027 29.673 29.700 -0.000 0.000 0.772 285 E HN 0.490 nan 8.360 nan 0.000 0.491 286 A N 0.045 122.864 122.820 -0.001 0.000 2.067 286 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 286 A C 1.968 179.548 177.584 -0.006 0.000 1.156 286 A CA 0.438 52.474 52.037 -0.002 0.000 0.683 286 A CB -0.102 18.898 19.000 -0.000 0.000 0.808 286 A HN 0.295 nan 8.150 nan 0.000 0.455 287 C N -0.932 118.364 119.300 -0.008 0.000 2.673 287 C HA 0.454 4.914 4.460 -0.000 0.000 0.274 287 C C 2.009 176.992 174.990 -0.010 0.000 1.276 287 C CA 0.144 59.154 59.018 -0.013 0.000 1.701 287 C CB -1.146 26.581 27.740 -0.022 0.000 1.836 287 C HN 0.955 nan 8.230 nan 0.000 0.596 288 G N 1.318 110.114 108.800 -0.007 0.000 2.184 288 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 288 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 288 G C 0.023 174.921 174.900 -0.004 0.000 0.975 288 G CA 0.050 45.147 45.100 -0.006 0.000 0.642 288 G HN 0.560 nan 8.290 nan 0.000 0.536 289 I N 1.522 122.091 120.570 -0.001 0.000 2.471 289 I HA 0.541 4.711 4.170 -0.000 0.000 0.286 289 I C 1.223 177.344 176.117 0.007 0.000 1.079 289 I CA 0.270 61.573 61.300 0.004 0.000 1.398 289 I CB 0.644 38.651 38.000 0.011 0.000 1.403 289 I HN 0.449 nan 8.210 nan 0.000 0.530 290 R N 6.948 127.450 120.500 0.003 0.000 2.532 290 R HA 0.801 5.141 4.340 -0.000 0.000 0.272 290 R C -0.811 175.497 176.300 0.014 0.000 1.032 290 R CA -0.532 55.568 56.100 0.000 0.000 1.089 290 R CB 0.353 30.643 30.300 -0.017 0.000 1.098 290 R HN 0.656 nan 8.270 nan 0.000 0.526 291 L N 1.207 122.443 121.223 0.020 0.000 2.325 291 L HA 0.562 4.901 4.340 -0.000 0.000 0.278 291 L C 1.582 178.452 176.870 0.001 0.000 1.023 291 L CA -0.684 54.193 54.840 0.061 0.000 0.811 291 L CB 2.078 44.197 42.059 0.101 0.000 1.249 291 L HN 0.884 nan 8.230 nan 0.000 0.431 292 A N 2.971 125.782 122.820 -0.015 0.000 2.014 292 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 292 A C 0.340 177.572 177.584 -0.587 0.000 1.163 292 A CA 0.775 52.588 52.037 -0.373 0.000 0.652 292 A CB 0.109 18.761 19.000 -0.581 0.000 0.808 292 A HN 0.656 nan 8.150 nan 0.000 0.449 293 W N -0.638 120.671 121.300 0.016 0.000 3.033 293 W HA 0.396 5.055 4.660 -0.000 0.000 0.336 293 W C -2.660 173.878 176.519 0.032 0.000 1.173 293 W CA -2.175 55.161 57.345 -0.015 0.000 1.185 293 W CB 0.893 30.300 29.460 -0.088 0.000 1.425 293 W HN -0.077 nan 8.180 nan 0.000 0.536 294 P HA 0.130 nan 4.420 nan 0.000 0.272 294 P C -0.602 176.787 177.300 0.148 0.000 1.223 294 P CA 0.238 63.423 63.100 0.141 0.000 0.784 294 P CB 1.669 33.422 31.700 0.089 0.000 0.923 295 S N 0.346 116.109 115.700 0.105 0.000 2.603 295 S HA 0.590 5.060 4.470 -0.000 0.000 0.274 295 S C -0.538 174.088 174.600 0.044 0.000 1.168 295 S CA -0.334 57.919 58.200 0.089 0.000 0.963 295 S CB 0.693 63.965 63.200 0.120 0.000 1.078 295 S HN 0.505 nan 8.310 nan 0.000 0.477 296 A N 3.155 125.993 122.820 0.030 0.000 2.643 296 A HA 0.648 4.968 4.320 -0.000 0.000 0.295 296 A C 0.557 178.147 177.584 0.010 0.000 1.065 296 A CA 0.231 52.276 52.037 0.013 0.000 0.986 296 A CB -0.414 18.592 19.000 0.010 0.000 1.212 296 A HN 1.143 nan 8.150 nan 0.000 0.516 297 S N -0.109 115.600 115.700 0.014 0.000 2.993 297 S HA 0.307 4.777 4.470 -0.000 0.000 0.281 297 S C 0.679 175.275 174.600 -0.006 0.000 1.033 297 S CA 0.106 58.312 58.200 0.011 0.000 0.950 297 S CB 0.238 63.452 63.200 0.022 0.000 1.349 297 S HN 0.350 nan 8.310 nan 0.000 0.652 298 N N 0.206 118.901 118.700 -0.007 0.000 2.280 298 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 298 N C -0.446 175.025 175.510 -0.065 0.000 1.109 298 N CA -0.162 52.871 53.050 -0.029 0.000 0.855 298 N CB -0.043 38.441 38.487 -0.005 0.000 0.974 298 N HN 0.628 nan 8.380 nan 0.000 0.482 299 Q N 0.657 120.422 119.800 -0.057 0.000 2.342 299 Q HA 0.640 4.980 4.340 -0.000 0.000 0.267 299 Q C -0.986 174.931 176.000 -0.140 0.000 1.038 299 Q CA -0.608 55.111 55.803 -0.140 0.000 0.832 299 Q CB 2.766 31.462 28.738 -0.070 0.000 1.323 299 Q HN 0.116 nan 8.270 nan 0.000 0.448 300 L N 1.530 122.555 121.223 -0.331 0.000 2.409 300 L HA 0.543 4.883 4.340 -0.000 0.000 0.262 300 L C -1.093 175.536 176.870 -0.401 0.000 0.992 300 L CA -0.634 54.090 54.840 -0.193 0.000 0.817 300 L CB 1.740 43.699 42.059 -0.166 0.000 1.350 300 L HN 0.628 nan 8.230 nan 0.000 0.411 301 F N 2.499 122.519 119.950 0.117 0.000 2.523 301 F HA 0.308 4.835 4.527 -0.000 0.000 0.322 301 F C -2.156 173.702 175.800 0.097 0.000 1.361 301 F CA -1.747 56.358 58.000 0.175 0.000 1.151 301 F CB 0.675 39.910 39.000 0.391 0.000 1.391 301 F HN 0.132 nan 8.300 nan 0.000 0.566 302 P HA 0.117 nan 4.420 nan 0.000 0.271 302 P C -0.066 177.291 177.300 0.095 0.000 1.216 302 P CA 0.140 63.296 63.100 0.093 0.000 0.776 302 P CB 1.487 33.221 31.700 0.056 0.000 0.881 303 I N 3.589 124.193 120.570 0.057 0.000 2.291 303 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 303 I C 0.328 176.463 176.117 0.030 0.000 1.050 303 I CA -0.244 61.078 61.300 0.036 0.000 1.245 303 I CB 0.072 38.073 38.000 0.001 0.000 1.405 303 I HN 0.096 nan 8.210 nan 0.000 0.478 304 L N 4.631 125.876 121.223 0.037 0.000 2.341 304 L HA 0.416 4.756 4.340 -0.000 0.000 0.267 304 L C 0.233 177.116 176.870 0.021 0.000 1.009 304 L CA -0.943 53.915 54.840 0.029 0.000 0.819 304 L CB 1.813 43.897 42.059 0.042 0.000 1.323 304 L HN 0.269 nan 8.230 nan 0.000 0.425 305 E N 0.251 120.459 120.200 0.013 0.000 2.384 305 E HA 0.005 4.355 4.350 -0.000 0.000 0.266 305 E C 0.446 177.054 176.600 0.014 0.000 1.012 305 E CA -0.281 56.125 56.400 0.009 0.000 0.901 305 E CB 0.802 30.504 29.700 0.003 0.000 0.967 305 E HN 0.534 nan 8.360 nan 0.000 0.435 306 N N 1.031 119.739 118.700 0.013 0.000 2.149 306 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 306 N C 1.323 176.842 175.510 0.015 0.000 1.019 306 N CA 1.518 54.578 53.050 0.016 0.000 0.857 306 N CB -0.633 37.862 38.487 0.013 0.000 0.997 306 N HN 0.759 nan 8.380 nan 0.000 0.426 310 A N 0.816 123.659 122.820 0.038 0.000 1.972 310 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 310 A C 2.005 179.612 177.584 0.038 0.000 1.169 310 A CA 1.729 53.786 52.037 0.035 0.000 0.635 310 A CB -0.288 18.725 19.000 0.022 0.000 0.810 310 A HN 0.417 nan 8.150 nan 0.000 0.446 311 E N -0.197 120.024 120.200 0.035 0.000 2.076 311 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 311 E C 2.053 178.692 176.600 0.064 0.000 0.979 311 E CA 0.617 57.038 56.400 0.035 0.000 0.807 311 E CB -0.291 29.420 29.700 0.018 0.000 0.761 311 E HN 0.651 nan 8.360 nan 0.000 0.454 312 L N 1.463 122.738 121.223 0.086 0.000 2.079 312 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 312 L C 2.275 179.286 176.870 0.236 0.000 1.081 312 L CA 0.881 55.829 54.840 0.180 0.000 0.752 312 L CB -0.469 41.685 42.059 0.158 0.000 0.896 312 L HN 0.161 nan 8.230 nan 0.000 0.433 313 N N 0.218 119.010 118.700 0.154 0.000 2.258 313 N HA -0.194 4.545 4.740 -0.000 0.000 0.187 313 N C 1.346 176.901 175.510 0.075 0.000 1.012 313 N CA 1.087 54.212 53.050 0.125 0.000 0.870 313 N CB -0.115 38.420 38.487 0.079 0.000 0.977 313 N HN 0.454 nan 8.380 nan 0.000 0.434 314 N N 0.861 119.589 118.700 0.047 0.000 2.309 314 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 314 N C 0.584 176.055 175.510 -0.066 0.000 1.018 314 N CA 0.982 54.030 53.050 -0.004 0.000 0.876 314 N CB 0.003 38.487 38.487 -0.005 0.000 0.972 314 N HN 0.336 nan 8.380 nan 0.000 0.434 315 D N -1.317 119.019 120.400 -0.107 0.000 2.454 315 D HA 0.154 4.794 4.640 -0.000 0.000 0.219 315 D C -0.348 175.507 176.300 -0.742 0.000 1.081 315 D CA 0.293 54.023 54.000 -0.450 0.000 0.867 315 D CB 0.746 41.203 40.800 -0.571 0.000 1.054 315 D HN 0.043 nan 8.370 nan 0.000 0.500 316 F N 0.636 120.683 119.950 0.162 0.000 2.601 316 F HA 0.334 4.861 4.527 -0.000 0.000 0.309 316 F C 0.290 176.190 175.800 0.167 0.000 1.089 316 F CA -1.033 57.107 58.000 0.232 0.000 0.940 316 F CB 2.100 41.376 39.000 0.459 0.000 1.273 316 F HN -0.404 nan 8.300 nan 0.000 0.450 320 T N 5.718 119.967 114.554 -0.509 0.000 2.733 320 T HA 0.371 4.721 4.350 -0.000 0.000 0.294 320 T C 0.645 175.115 174.700 -0.383 0.000 0.956 320 T CA -0.314 61.602 62.100 -0.307 0.000 0.987 320 T CB 1.165 69.901 68.868 -0.220 0.000 0.920 320 T HN 0.527 nan 8.240 nan 0.000 0.470 321 V N 2.176 122.098 119.914 0.012 0.000 2.436 321 V HA 0.136 4.256 4.120 -0.000 0.000 0.240 321 V C 1.035 177.227 176.094 0.164 0.000 1.040 321 V CA 0.567 63.005 62.300 0.230 0.000 1.052 321 V CB 0.399 32.516 31.823 0.490 0.000 0.707 321 V HN 0.749 nan 8.190 nan 0.000 0.469 322 E N 0.068 120.347 120.200 0.131 0.000 2.378 322 E HA 0.332 4.682 4.350 -0.000 0.000 0.282 322 E C -3.021 173.615 176.600 0.060 0.000 0.910 322 E CA -1.718 54.742 56.400 0.099 0.000 0.816 322 E CB 2.060 31.833 29.700 0.121 0.000 1.359 322 E HN 0.330 nan 8.360 nan 0.000 0.397 323 P HA 0.288 nan 4.420 nan 0.000 0.268 323 P C -0.415 176.899 177.300 0.023 0.000 1.205 323 P CA 0.047 63.163 63.100 0.026 0.000 0.771 323 P CB 0.491 32.203 31.700 0.018 0.000 0.858 324 L N 1.236 122.469 121.223 0.016 0.000 2.303 324 L HA 0.570 4.910 4.340 -0.000 0.000 0.266 324 L C 1.879 178.752 176.870 0.006 0.000 1.011 324 L CA -0.998 53.846 54.840 0.008 0.000 0.818 324 L CB 0.921 42.980 42.059 0.000 0.000 1.326 324 L HN 0.192 nan 8.230 nan 0.000 0.435 325 K N 0.531 120.933 120.400 0.003 0.000 2.097 325 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 325 K C 1.072 177.673 176.600 0.002 0.000 1.049 325 K CA 1.847 58.136 56.287 0.003 0.000 0.933 325 K CB -0.909 nan 32.500 nan 0.000 0.717 325 K HN 0.890 nan 8.250 nan 0.000 0.442 326 D N -1.682 118.718 120.400 -0.001 0.000 2.344 326 D HA 0.221 4.861 4.640 -0.000 0.000 0.242 326 D C 0.957 177.257 176.300 -0.000 0.000 1.159 326 D CA 0.503 54.502 54.000 -0.002 0.000 0.859 326 D CB -0.577 40.219 40.800 -0.006 0.000 0.925 326 D HN 0.656 nan 8.370 nan 0.000 0.510 327 G N -0.391 108.410 108.800 0.002 0.000 2.143 327 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.249 327 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.249 327 G C 0.410 175.314 174.900 0.006 0.000 0.981 327 G CA 0.607 45.710 45.100 0.004 0.000 0.665 327 G HN 0.861 nan 8.290 nan 0.000 0.528 328 T N -3.492 111.065 114.554 0.006 0.000 2.807 328 T HA 0.743 5.092 4.350 -0.000 0.000 0.277 328 T C -0.308 174.401 174.700 0.015 0.000 1.006 328 T CA -0.311 61.794 62.100 0.010 0.000 1.006 328 T CB 2.743 71.614 68.868 0.005 0.000 1.274 328 T HN 1.301 nan 8.240 nan 0.000 0.569 329 C N 0.462 119.776 119.300 0.023 0.000 3.006 329 C HA 0.649 5.109 4.460 -0.000 0.000 0.359 329 C C -0.260 174.763 174.990 0.055 0.000 1.103 329 C CA -0.863 58.176 59.018 0.035 0.000 1.286 329 C CB -0.105 27.654 27.740 0.032 0.000 1.694 329 C HN 0.959 nan 8.230 nan 0.000 0.511 333 L N 3.421 124.453 121.223 -0.318 0.000 2.329 333 L HA 0.683 5.023 4.340 -0.000 0.000 0.279 333 L C -0.450 176.247 176.870 -0.288 0.000 1.014 333 L CA -1.014 53.643 54.840 -0.304 0.000 0.814 333 L CB 1.987 43.738 42.059 -0.512 0.000 1.257 333 L HN 0.579 nan 8.230 nan 0.000 0.424 334 C N 2.272 121.481 119.300 -0.150 0.000 2.431 334 C HA 0.752 5.212 4.460 -0.000 0.000 0.321 334 C C 0.418 175.409 174.990 0.001 0.000 1.202 334 C CA -0.237 58.713 59.018 -0.113 0.000 1.398 334 C CB 1.224 28.885 27.740 -0.131 0.000 2.047 334 C HN 0.945 nan 8.230 nan 0.000 0.465 335 T N 2.429 116.974 114.554 -0.015 0.000 2.948 335 T HA 0.906 5.256 4.350 -0.000 0.000 0.285 335 T C -0.108 174.592 174.700 -0.001 0.000 1.019 335 T CA -0.263 61.859 62.100 0.038 0.000 1.013 335 T CB 1.650 70.528 68.868 0.016 0.000 1.117 335 T HN 1.230 nan 8.240 nan 0.000 0.533 336 S N -0.148 115.545 115.700 -0.012 0.000 2.705 336 S HA 0.378 4.848 4.470 -0.000 0.000 0.280 336 S C 0.860 175.471 174.600 0.018 0.000 1.174 336 S CA -0.758 57.422 58.200 -0.034 0.000 0.823 336 S CB 0.563 63.637 63.200 -0.209 0.000 1.162 336 S HN 1.096 nan 8.310 nan 0.000 0.487 337 W N 0.305 121.658 121.300 0.088 0.000 2.387 337 W HA 0.065 4.725 4.660 -0.000 0.000 0.272 337 W C 1.096 177.609 176.519 -0.009 0.000 1.224 337 W CA 1.178 58.567 57.345 0.072 0.000 1.210 337 W CB -1.227 28.252 29.460 0.031 0.000 1.125 337 W HN 0.746 nan 8.180 nan 0.000 0.572 338 A N 0.877 123.092 122.820 -1.008 0.000 2.267 338 A HA 0.159 4.479 4.320 -0.000 0.000 0.213 338 A C 0.898 178.268 177.584 -0.356 0.000 1.192 338 A CA 0.307 51.732 52.037 -1.020 0.000 0.851 338 A CB -0.699 17.322 19.000 -1.631 0.000 0.881 338 A HN 0.054 nan 8.150 nan 0.000 0.494 339 T N 1.944 116.425 114.554 -0.121 0.000 2.916 339 T HA 0.169 4.519 4.350 -0.000 0.000 0.303 339 T C -0.069 174.722 174.700 0.152 0.000 1.025 339 T CA 0.331 62.478 62.100 0.078 0.000 1.142 339 T CB 0.461 69.406 68.868 0.127 0.000 0.947 339 T HN 0.449 nan 8.240 nan 0.000 0.544 340 E N 2.099 122.340 120.200 0.068 0.000 2.229 340 E HA 0.079 4.429 4.350 -0.000 0.000 0.283 340 E C 1.015 177.593 176.600 -0.036 0.000 1.030 340 E CA -0.296 56.099 56.400 -0.009 0.000 0.836 340 E CB 1.059 30.680 29.700 -0.132 0.000 1.068 340 E HN 0.703 nan 8.360 nan 0.000 0.401 341 E N 3.745 123.955 120.200 0.015 0.000 2.110 341 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 341 E C 1.668 178.275 176.600 0.011 0.000 0.988 341 E CA 1.233 57.614 56.400 -0.032 0.000 0.804 341 E CB 0.201 29.924 29.700 0.037 0.000 0.745 341 E HN 0.426 nan 8.360 nan 0.000 0.458 342 K N 0.195 120.634 120.400 0.065 0.000 2.209 342 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 342 K C 1.509 178.133 176.600 0.039 0.000 1.048 342 K CA 1.142 57.487 56.287 0.098 0.000 0.940 342 K CB -0.028 32.497 32.500 0.041 0.000 0.729 342 K HN 0.044 nan 8.250 nan 0.000 0.451 343 E N 1.042 121.179 120.200 -0.105 0.000 2.152 343 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 343 E C 2.220 178.904 176.600 0.140 0.000 0.983 343 E CA 0.866 57.194 56.400 -0.121 0.000 0.818 343 E CB -0.425 28.769 29.700 -0.844 0.000 0.758 343 E HN 0.369 nan 8.360 nan 0.000 0.467 344 C N 0.639 119.971 119.300 0.053 0.000 2.453 344 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 344 C C 2.518 177.484 174.990 -0.040 0.000 1.262 344 C CA 0.350 59.358 59.018 -0.017 0.000 1.718 344 C CB -1.110 26.515 27.740 -0.192 0.000 2.031 344 C HN 0.484 nan 8.230 nan 0.000 0.480 345 H N 0.377 119.481 119.070 0.057 0.000 2.387 345 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 345 H C 2.436 177.813 175.328 0.081 0.000 1.090 345 H CA 1.507 57.584 56.048 0.049 0.000 1.332 345 H CB -0.455 29.324 29.762 0.029 0.000 1.386 345 H HN 0.499 nan 8.280 nan 0.000 0.516 346 R N 0.112 120.756 120.500 0.240 0.000 2.096 346 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 346 R C 2.237 178.702 176.300 0.275 0.000 1.127 346 R CA 1.012 57.266 56.100 0.257 0.000 0.968 346 R CB -0.330 30.150 30.300 0.300 0.000 0.861 346 R HN 0.204 nan 8.270 nan 0.000 0.440 347 F N 0.784 120.727 119.950 -0.012 0.000 2.075 347 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 347 F C 1.979 177.664 175.800 -0.192 0.000 1.113 347 F CA 1.478 59.237 58.000 -0.400 0.000 1.218 347 F CB -0.423 38.164 39.000 -0.689 0.000 0.984 347 F HN -0.223 nan 8.300 nan 0.000 0.472 348 V N 0.393 120.354 119.914 0.079 0.000 2.324 348 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 348 V C 2.342 178.407 176.094 -0.048 0.000 1.060 348 V CA 2.344 64.653 62.300 0.014 0.000 1.042 348 V CB -0.767 31.102 31.823 0.078 0.000 0.650 348 V HN 0.350 nan 8.190 nan 0.000 0.450 349 E N -0.039 120.164 120.200 0.006 0.000 2.072 349 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 349 E C 2.048 178.634 176.600 -0.022 0.000 0.982 349 E CA 1.127 57.532 56.400 0.009 0.000 0.803 349 E CB -0.244 29.486 29.700 0.049 0.000 0.755 349 E HN 0.348 nan 8.360 nan 0.000 0.453 350 V N 0.700 120.599 119.914 -0.026 0.000 2.407 350 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 350 V C 2.315 178.333 176.094 -0.128 0.000 1.055 350 V CA 1.502 63.784 62.300 -0.030 0.000 1.049 350 V CB -0.442 31.435 31.823 0.091 0.000 0.662 350 V HN 0.305 nan 8.190 nan 0.000 0.455 351 L N -0.035 121.030 121.223 -0.264 0.000 2.093 351 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 351 L C 2.322 179.110 176.870 -0.137 0.000 1.085 351 L CA 1.944 56.617 54.840 -0.278 0.000 0.755 351 L CB -0.545 41.267 42.059 -0.412 0.000 0.904 351 L HN 0.201 nan 8.230 nan 0.000 0.435 352 K N -1.118 119.225 120.400 -0.096 0.000 2.103 352 K HA -0.143 4.176 4.320 -0.000 0.000 0.204 352 K C 2.237 178.812 176.600 -0.041 0.000 1.052 352 K CA 1.009 57.264 56.287 -0.053 0.000 0.945 352 K CB -0.112 32.368 32.500 -0.033 0.000 0.722 352 K HN 0.059 nan 8.250 nan 0.000 0.443 353 R N 1.300 121.777 120.500 -0.038 0.000 2.096 353 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 353 R C 1.856 178.139 176.300 -0.029 0.000 1.127 353 R CA 1.234 57.318 56.100 -0.026 0.000 0.968 353 R CB -0.413 29.877 30.300 -0.017 0.000 0.861 353 R HN 0.140 nan 8.270 nan 0.000 0.440 354 L N -0.900 120.297 121.223 -0.043 0.000 2.072 354 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 354 L C 2.069 178.918 176.870 -0.034 0.000 1.079 354 L CA 0.814 55.631 54.840 -0.039 0.000 0.752 354 L CB -0.237 41.790 42.059 -0.054 0.000 0.906 354 L HN 0.040 nan 8.230 nan 0.000 0.436 355 V N -0.299 119.590 119.914 -0.041 0.000 2.759 355 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 355 V C 1.172 177.252 176.094 -0.022 0.000 1.080 355 V CA 1.076 63.357 62.300 -0.031 0.000 1.101 355 V CB -0.654 31.148 31.823 -0.035 0.000 0.698 355 V HN 0.392 nan 8.190 nan 0.000 0.477 356 A N 0.000 122.807 122.820 -0.022 0.000 2.254 356 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 356 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 356 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 356 A HN 0.000 nan 8.150 nan 0.000 0.486