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 3czo_1_B DATA FIRST_RESID 25 DATA SEQUENCE NVIIGNQKLT INDVARVARN GTLVSLTNNT DILQGIQASC DYINNAVESG DATA SEQUENCE EPIYGVTSGF GGXANVAISR EQASELQTNL VWFLKTGAGN KLPLADVRAA DATA SEQUENCE XLLRANSHXR GASGIRLELI KRXEIFLNAG VTPYVYEFGS IGXXXDLVPL DATA SEQUENCE SYITGSLIGL DPSFKVDFNG KEXDAPTALR QLNLSPLTLL PKEGLAXXNG DATA SEQUENCE TSVXTGIAAN CVYDTQILTA IAXGVHALDI QALNGTNQSF HPFIHNSKPH DATA SEQUENCE PGQLWAADQX ISLLANSQLV RDELDGKHDY RDHELIQDRY SLRCLPQYLG DATA SEQUENCE PIVDGISQIA KQIEIEINSV TDNPLIDVDN QASYHGGNFL GQYVGXGXDH DATA SEQUENCE LRYYIGLLAK HLDVQIALLA SPEFSNGLPP SLLGNRERKV NXGLKGLQIC DATA SEQUENCE GNSIXPLLTF YGNSIADRFP THAEQFNQNI NSQGYTSATL ARRSVDIFQN DATA SEQUENCE YVAIALXFGV QAVDLRTYKK TGHYDARASL SPATERLYSA VRHVVGQKPT DATA SEQUENCE SDRPYIWNDN EQGLDEHIAR ISADIAAGGV IVQAVQDILP S 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 25 N HA 0.000 nan 4.740 nan 0.000 0.220 25 N C 0.000 175.511 175.510 0.002 0.000 1.280 25 N CA 0.000 53.052 53.050 0.003 0.000 0.885 25 N CB 0.000 38.489 38.487 0.003 0.000 1.341 26 V N 4.032 123.946 119.914 -0.000 0.000 2.368 26 V HA 0.435 4.555 4.120 0.000 0.000 0.266 26 V C 0.389 176.483 176.094 -0.001 0.000 1.045 26 V CA -0.208 62.091 62.300 -0.002 0.000 0.899 26 V CB 0.610 32.428 31.823 -0.007 0.000 1.006 26 V HN 0.144 nan 8.190 nan 0.000 0.470 27 I N 6.308 126.878 120.570 0.000 0.000 2.342 27 I HA 0.365 4.535 4.170 0.000 0.000 0.291 27 I C -0.056 176.061 176.117 0.000 0.000 1.010 27 I CA -0.192 61.108 61.300 0.002 0.000 1.308 27 I CB 1.181 39.183 38.000 0.003 0.000 1.400 27 I HN 0.432 nan 8.210 nan 0.000 0.488 28 I N 5.674 126.245 120.570 0.001 0.000 2.365 28 I HA 0.395 4.565 4.170 0.000 0.000 0.291 28 I C 1.124 177.243 176.117 0.003 0.000 1.004 28 I CA 0.375 61.675 61.300 -0.000 0.000 1.311 28 I CB 1.264 39.264 38.000 -0.000 0.000 1.401 28 I HN 0.937 nan 8.210 nan 0.000 0.491 29 G N 4.250 113.051 108.800 0.002 0.000 2.376 29 G HA2 -0.275 3.686 3.960 0.000 0.000 0.208 29 G HA3 -0.275 3.686 3.960 0.000 0.000 0.208 29 G C 0.919 175.821 174.900 0.004 0.000 1.032 29 G CA -0.065 45.038 45.100 0.005 0.000 0.641 29 G HN 0.509 nan 8.290 nan 0.000 0.503 30 N N 1.489 120.191 118.700 0.003 0.000 2.027 30 N HA 0.037 4.778 4.740 0.000 0.000 0.185 30 N C 1.481 176.991 175.510 -0.000 0.000 1.101 30 N CA 1.604 54.656 53.050 0.002 0.000 0.903 30 N CB -0.587 37.901 38.487 0.002 0.000 1.041 30 N HN 0.876 nan 8.380 nan 0.000 0.430 31 Q N 0.823 120.622 119.800 -0.001 0.000 2.249 31 Q HA 0.302 4.642 4.340 0.000 0.000 0.226 31 Q C -0.630 175.366 176.000 -0.005 0.000 0.983 31 Q CA -0.547 55.255 55.803 -0.003 0.000 0.930 31 Q CB 0.931 29.668 28.738 -0.002 0.000 1.193 31 Q HN 0.041 nan 8.270 nan 0.000 0.508 32 K N 0.946 121.342 120.400 -0.007 0.000 2.436 32 K HA 0.153 4.474 4.320 0.000 0.000 0.275 32 K C -0.372 176.223 176.600 -0.009 0.000 0.999 32 K CA -0.062 56.219 56.287 -0.011 0.000 0.980 32 K CB 0.375 32.867 32.500 -0.014 0.000 0.919 32 K HN 0.419 nan 8.250 nan 0.000 0.484 33 L N 2.713 123.929 121.223 -0.012 0.000 2.371 33 L HA 0.151 4.491 4.340 0.000 0.000 0.272 33 L C 0.988 177.854 176.870 -0.007 0.000 1.124 33 L CA -0.402 54.432 54.840 -0.011 0.000 0.816 33 L CB 0.910 42.960 42.059 -0.015 0.000 1.129 33 L HN 0.794 nan 8.230 nan 0.000 0.448 34 T N -1.280 113.273 114.554 -0.001 0.000 2.897 34 T HA 0.395 4.745 4.350 0.000 0.000 0.278 34 T C 1.171 175.878 174.700 0.013 0.000 0.981 34 T CA -0.732 61.373 62.100 0.009 0.000 0.973 34 T CB 1.400 70.279 68.868 0.018 0.000 1.092 34 T HN 0.409 nan 8.240 nan 0.000 0.543 35 I N 0.998 121.588 120.570 0.034 0.000 2.394 35 I HA -0.145 4.025 4.170 0.000 0.000 0.251 35 I C 2.336 178.488 176.117 0.059 0.000 1.136 35 I CA 0.799 62.131 61.300 0.052 0.000 1.425 35 I CB -0.340 37.715 38.000 0.093 0.000 1.079 35 I HN 0.601 nan 8.210 nan 0.000 0.425 36 N N 0.775 119.532 118.700 0.094 0.000 2.120 36 N HA -0.188 4.552 4.740 0.000 0.000 0.188 36 N C 1.440 176.947 175.510 -0.006 0.000 1.024 36 N CA 1.391 54.498 53.050 0.096 0.000 0.852 36 N CB -0.427 38.131 38.487 0.119 0.000 1.003 36 N HN 0.323 nan 8.380 nan 0.000 0.424 37 D N 0.685 121.083 120.400 -0.004 0.000 2.092 37 D HA -0.095 4.546 4.640 0.000 0.000 0.193 37 D C 2.161 178.431 176.300 -0.051 0.000 0.994 37 D CA 0.704 54.691 54.000 -0.022 0.000 0.828 37 D CB -0.416 40.377 40.800 -0.012 0.000 0.963 37 D HN -0.009 nan 8.370 nan 0.000 0.450 38 V N 1.673 121.553 119.914 -0.056 0.000 2.255 38 V HA -0.279 3.842 4.120 0.000 0.000 0.247 38 V C 2.592 178.605 176.094 -0.134 0.000 1.051 38 V CA 2.021 64.277 62.300 -0.074 0.000 1.018 38 V CB -0.957 30.833 31.823 -0.054 0.000 0.641 38 V HN 0.195 nan 8.190 nan 0.000 0.445 39 A N -0.160 122.519 122.820 -0.235 0.000 1.883 39 A HA -0.276 4.044 4.320 0.000 0.000 0.217 39 A C 2.365 179.764 177.584 -0.309 0.000 1.186 39 A CA 2.179 53.952 52.037 -0.439 0.000 0.624 39 A CB -0.578 17.770 19.000 -1.086 0.000 0.822 39 A HN 0.515 nan 8.150 nan 0.000 0.444 40 R N -0.872 119.502 120.500 -0.209 0.000 2.091 40 R HA -0.110 4.230 4.340 0.000 0.000 0.238 40 R C 2.050 178.301 176.300 -0.081 0.000 1.136 40 R CA 1.623 57.656 56.100 -0.111 0.000 0.959 40 R CB -0.520 29.747 30.300 -0.055 0.000 0.856 40 R HN 0.419 nan 8.270 nan 0.000 0.437 41 V N 0.486 120.355 119.914 -0.075 0.000 2.323 41 V HA -0.178 3.942 4.120 0.000 0.000 0.244 41 V C 2.369 178.431 176.094 -0.054 0.000 1.041 41 V CA 1.868 64.137 62.300 -0.051 0.000 1.025 41 V CB -0.650 31.150 31.823 -0.038 0.000 0.656 41 V HN 0.413 nan 8.190 nan 0.000 0.451 42 A N -0.096 122.680 122.820 -0.074 0.000 1.877 42 A HA -0.179 4.141 4.320 0.000 0.000 0.216 42 A C 2.378 179.924 177.584 -0.064 0.000 1.186 42 A CA 1.656 53.653 52.037 -0.067 0.000 0.620 42 A CB -0.315 18.635 19.000 -0.084 0.000 0.822 42 A HN 0.444 nan 8.150 nan 0.000 0.443 43 R N -1.326 119.121 120.500 -0.088 0.000 2.167 43 R HA 0.111 4.451 4.340 0.000 0.000 0.201 43 R C 0.528 176.801 176.300 -0.045 0.000 1.024 43 R CA 0.730 56.788 56.100 -0.070 0.000 1.053 43 R CB -0.308 29.933 30.300 -0.098 0.000 0.987 43 R HN 0.453 nan 8.270 nan 0.000 0.493 44 N N -0.003 118.667 118.700 -0.049 0.000 2.236 44 N HA 0.062 4.802 4.740 0.000 0.000 0.196 44 N C 0.745 176.245 175.510 -0.017 0.000 1.114 44 N CA 0.746 53.781 53.050 -0.026 0.000 0.859 44 N CB 0.968 39.441 38.487 -0.024 0.000 0.982 44 N HN 0.343 nan 8.380 nan 0.000 0.493 45 G N 1.045 109.833 108.800 -0.020 0.000 2.203 45 G HA2 -0.307 3.654 3.960 0.000 0.000 0.263 45 G HA3 -0.307 3.654 3.960 0.000 0.000 0.263 45 G C 0.141 175.036 174.900 -0.008 0.000 1.012 45 G CA 0.723 45.816 45.100 -0.011 0.000 0.749 45 G HN 0.288 nan 8.290 nan 0.000 0.512 46 T N 1.150 115.695 114.554 -0.014 0.000 2.933 46 T HA 0.323 4.673 4.350 0.000 0.000 0.306 46 T C 1.313 176.009 174.700 -0.006 0.000 1.045 46 T CA 0.081 62.176 62.100 -0.009 0.000 1.143 46 T CB 0.827 69.686 68.868 -0.014 0.000 1.003 46 T HN 0.362 nan 8.240 nan 0.000 0.540 47 L N 2.572 123.794 121.223 -0.000 0.000 2.464 47 L HA 0.528 4.868 4.340 0.000 0.000 0.264 47 L C 0.302 177.173 176.870 0.002 0.000 1.199 47 L CA -0.603 54.239 54.840 0.003 0.000 0.818 47 L CB 0.447 42.510 42.059 0.006 0.000 1.102 47 L HN 0.327 nan 8.230 nan 0.000 0.473 48 V N 0.579 120.495 119.914 0.005 0.000 2.876 48 V HA 0.553 4.673 4.120 0.000 0.000 0.312 48 V C -0.622 175.477 176.094 0.008 0.000 1.085 48 V CA -0.237 62.065 62.300 0.004 0.000 0.945 48 V CB 2.587 34.412 31.823 0.003 0.000 1.017 48 V HN 0.869 nan 8.190 nan 0.000 0.428 49 S N 3.853 119.557 115.700 0.006 0.000 2.546 49 S HA 0.664 5.135 4.470 0.000 0.000 0.274 49 S C -1.003 173.602 174.600 0.007 0.000 1.121 49 S CA -0.603 57.602 58.200 0.008 0.000 0.887 49 S CB 1.751 64.955 63.200 0.008 0.000 1.094 49 S HN 0.553 nan 8.310 nan 0.000 0.474 50 L N 1.877 123.105 121.223 0.009 0.000 2.371 50 L HA 0.377 4.717 4.340 0.000 0.000 0.272 50 L C 1.153 178.028 176.870 0.009 0.000 1.124 50 L CA -0.395 54.451 54.840 0.010 0.000 0.816 50 L CB 0.757 42.823 42.059 0.012 0.000 1.129 50 L HN 0.606 nan 8.230 nan 0.000 0.448 51 T N 1.119 115.678 114.554 0.008 0.000 2.932 51 T HA -0.019 4.331 4.350 0.000 0.000 0.312 51 T C 1.021 175.726 174.700 0.008 0.000 1.071 51 T CA -0.370 61.734 62.100 0.007 0.000 1.128 51 T CB 0.278 69.150 68.868 0.007 0.000 0.984 51 T HN 0.804 nan 8.240 nan 0.000 0.549 52 N N 3.370 122.074 118.700 0.007 0.000 2.268 52 N HA -0.030 4.710 4.740 0.000 0.000 0.204 52 N C 0.290 175.804 175.510 0.006 0.000 1.124 52 N CA -0.263 52.791 53.050 0.007 0.000 0.838 52 N CB -0.451 38.040 38.487 0.006 0.000 0.994 52 N HN 0.522 nan 8.380 nan 0.000 0.489 53 N N 1.516 120.220 118.700 0.006 0.000 2.365 53 N HA -0.092 4.649 4.740 0.000 0.000 0.265 53 N C 0.953 176.466 175.510 0.006 0.000 1.288 53 N CA 0.721 53.775 53.050 0.006 0.000 0.869 53 N CB 0.853 39.343 38.487 0.006 0.000 1.071 53 N HN 0.420 nan 8.380 nan 0.000 0.480 54 T N 0.454 115.012 114.554 0.006 0.000 2.867 54 T HA -0.092 4.259 4.350 0.000 0.000 0.268 54 T C 1.041 175.745 174.700 0.006 0.000 1.057 54 T CA 1.005 63.108 62.100 0.006 0.000 1.136 54 T CB 0.059 68.930 68.868 0.005 0.000 0.874 54 T HN 0.472 nan 8.240 nan 0.000 0.466 55 D N 1.343 121.747 120.400 0.006 0.000 2.144 55 D HA -0.022 4.619 4.640 0.000 0.000 0.200 55 D C 2.125 178.429 176.300 0.008 0.000 0.978 55 D CA 0.896 54.900 54.000 0.006 0.000 0.833 55 D CB 0.008 40.812 40.800 0.006 0.000 0.961 55 D HN 0.365 nan 8.370 nan 0.000 0.470 56 I N 1.143 121.718 120.570 0.008 0.000 2.252 56 I HA -0.189 3.981 4.170 0.000 0.000 0.245 56 I C 2.574 178.698 176.117 0.011 0.000 1.102 56 I CA 0.843 62.149 61.300 0.010 0.000 1.385 56 I CB -0.895 37.111 38.000 0.010 0.000 1.064 56 I HN 0.023 nan 8.210 nan 0.000 0.414 57 L N 0.006 121.235 121.223 0.009 0.000 2.156 57 L HA -0.154 4.186 4.340 0.000 0.000 0.208 57 L C 2.652 179.527 176.870 0.008 0.000 1.095 57 L CA 0.834 55.679 54.840 0.009 0.000 0.770 57 L CB -0.635 41.428 42.059 0.007 0.000 0.914 57 L HN 0.301 nan 8.230 nan 0.000 0.439 58 Q N 0.575 120.380 119.800 0.008 0.000 2.096 58 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 58 Q C 2.194 178.200 176.000 0.011 0.000 0.982 58 Q CA 1.866 57.674 55.803 0.009 0.000 0.850 58 Q CB -0.235 28.508 28.738 0.008 0.000 0.901 58 Q HN 0.510 nan 8.270 nan 0.000 0.422 59 G N 0.916 109.723 108.800 0.010 0.000 2.418 59 G HA2 -0.229 3.732 3.960 0.000 0.000 0.217 59 G HA3 -0.229 3.732 3.960 0.000 0.000 0.217 59 G C 1.387 176.295 174.900 0.012 0.000 1.158 59 G CA 0.833 45.939 45.100 0.010 0.000 0.771 59 G HN 0.376 nan 8.290 nan 0.000 0.545 60 I N 0.226 120.804 120.570 0.012 0.000 2.286 60 I HA -0.199 3.971 4.170 0.000 0.000 0.248 60 I C 2.815 178.936 176.117 0.008 0.000 1.115 60 I CA 1.391 62.697 61.300 0.010 0.000 1.392 60 I CB -0.062 37.944 38.000 0.009 0.000 1.065 60 I HN 0.201 nan 8.210 nan 0.000 0.418 61 Q N 1.139 120.945 119.800 0.010 0.000 2.049 61 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 61 Q C 2.203 178.216 176.000 0.021 0.000 0.971 61 Q CA 2.073 57.883 55.803 0.011 0.000 0.833 61 Q CB -0.348 28.395 28.738 0.009 0.000 0.896 61 Q HN 0.443 nan 8.270 nan 0.000 0.434 62 A N 0.044 122.879 122.820 0.025 0.000 1.908 62 A HA -0.208 4.112 4.320 0.000 0.000 0.218 62 A C 2.269 179.893 177.584 0.066 0.000 1.181 62 A CA 2.346 54.407 52.037 0.039 0.000 0.627 62 A CB -1.021 17.995 19.000 0.028 0.000 0.818 62 A HN 0.594 nan 8.150 nan 0.000 0.445 63 S N -1.547 114.182 115.700 0.048 0.000 2.414 63 S HA -0.163 4.307 4.470 0.000 0.000 0.227 63 S C 1.997 176.657 174.600 0.099 0.000 1.022 63 S CA 1.018 59.258 58.200 0.067 0.000 0.958 63 S CB -1.307 61.904 63.200 0.018 0.000 0.797 63 S HN 0.605 nan 8.310 nan 0.000 0.493 64 C N 2.486 121.816 119.300 0.051 0.000 2.413 64 C HA -0.118 4.342 4.460 0.000 0.000 0.277 64 C C 2.436 177.450 174.990 0.040 0.000 1.228 64 C CA 1.555 60.592 59.018 0.032 0.000 1.731 64 C CB -1.445 26.298 27.740 0.006 0.000 2.042 64 C HN 0.600 nan 8.230 nan 0.000 0.468 65 D N -1.294 119.132 120.400 0.044 0.000 2.144 65 D HA -0.135 4.505 4.640 0.000 0.000 0.199 65 D C 1.685 178.007 176.300 0.036 0.000 0.984 65 D CA 1.332 55.351 54.000 0.031 0.000 0.834 65 D CB -0.696 40.122 40.800 0.030 0.000 0.955 65 D HN 0.736 nan 8.370 nan 0.000 0.465 66 Y N 1.320 121.608 120.300 -0.020 0.000 2.128 66 Y HA -0.227 4.323 4.550 0.000 0.000 0.284 66 Y C 2.183 178.068 175.900 -0.025 0.000 1.154 66 Y CA 1.337 59.422 58.100 -0.025 0.000 1.149 66 Y CB -0.164 38.277 38.460 -0.031 0.000 0.976 66 Y HN -0.148 nan 8.280 nan 0.000 0.505 67 I N 1.103 121.716 120.570 0.072 0.000 2.179 67 I HA -0.342 3.829 4.170 0.000 0.000 0.242 67 I C 2.412 178.473 176.117 -0.093 0.000 1.088 67 I CA 1.644 62.938 61.300 -0.010 0.000 1.357 67 I CB -1.521 36.524 38.000 0.075 0.000 1.051 67 I HN 0.499 nan 8.210 nan 0.000 0.409 68 N N 1.325 119.989 118.700 -0.060 0.000 2.036 68 N HA -0.279 4.461 4.740 0.000 0.000 0.199 68 N C 1.478 176.925 175.510 -0.106 0.000 1.036 68 N CA 2.192 55.202 53.050 -0.065 0.000 0.870 68 N CB -0.070 38.391 38.487 -0.043 0.000 1.055 68 N HN 0.346 nan 8.380 nan 0.000 0.436 69 N N 0.823 119.433 118.700 -0.151 0.000 2.058 69 N HA -0.079 4.661 4.740 0.000 0.000 0.191 69 N C 1.751 177.125 175.510 -0.227 0.000 1.037 69 N CA 1.495 54.438 53.050 -0.178 0.000 0.848 69 N CB -0.892 37.480 38.487 -0.192 0.000 1.021 69 N HN 0.379 nan 8.380 nan 0.000 0.422 70 A N 0.601 123.195 122.820 -0.376 0.000 1.908 70 A HA -0.114 4.206 4.320 0.000 0.000 0.218 70 A C 2.458 179.940 177.584 -0.169 0.000 1.181 70 A CA 1.579 53.414 52.037 -0.337 0.000 0.627 70 A CB -0.879 17.834 19.000 -0.479 0.000 0.818 70 A HN 0.128 nan 8.150 nan 0.000 0.445 71 V N -0.263 119.570 119.914 -0.134 0.000 2.358 71 V HA -0.204 3.917 4.120 0.000 0.000 0.246 71 V C 2.439 178.493 176.094 -0.067 0.000 1.047 71 V CA 2.065 64.319 62.300 -0.078 0.000 1.035 71 V CB -0.616 31.173 31.823 -0.057 0.000 0.658 71 V HN 0.658 nan 8.190 nan 0.000 0.452 72 E N -0.102 120.054 120.200 -0.074 0.000 2.274 72 E HA -0.129 4.221 4.350 0.000 0.000 0.194 72 E C 2.197 178.765 176.600 -0.054 0.000 0.996 72 E CA 0.972 57.339 56.400 -0.056 0.000 0.840 72 E CB 0.053 29.722 29.700 -0.053 0.000 0.772 72 E HN 0.526 nan 8.360 nan 0.000 0.491 73 S N -0.972 114.686 115.700 -0.069 0.000 2.561 73 S HA 0.043 4.513 4.470 0.000 0.000 0.225 73 S C 1.255 175.826 174.600 -0.048 0.000 0.977 73 S CA 0.644 58.808 58.200 -0.061 0.000 0.926 73 S CB 0.486 63.639 63.200 -0.078 0.000 0.769 73 S HN 0.544 nan 8.310 nan 0.000 0.533 74 G N 1.528 110.299 108.800 -0.047 0.000 2.159 74 G HA2 -0.266 3.694 3.960 0.000 0.000 0.256 74 G HA3 -0.266 3.694 3.960 0.000 0.000 0.256 74 G C -0.160 174.723 174.900 -0.028 0.000 0.977 74 G CA 0.049 45.128 45.100 -0.034 0.000 0.652 74 G HN 0.504 nan 8.290 nan 0.000 0.531 75 E N 1.589 121.767 120.200 -0.037 0.000 2.568 75 E HA 0.282 4.632 4.350 0.000 0.000 0.262 75 E C -1.912 174.689 176.600 0.001 0.000 0.961 75 E CA -0.493 55.894 56.400 -0.022 0.000 0.945 75 E CB 0.655 30.330 29.700 -0.041 0.000 0.924 75 E HN 0.247 nan 8.360 nan 0.000 0.467 76 P HA 0.138 nan 4.420 nan 0.000 0.282 76 P C -0.922 176.442 177.300 0.107 0.000 1.274 76 P CA -0.068 63.064 63.100 0.053 0.000 0.770 76 P CB 0.261 31.997 31.700 0.061 0.000 0.867 77 I N 2.197 122.843 120.570 0.127 0.000 2.686 77 I HA 0.497 4.668 4.170 0.000 0.000 0.295 77 I C -1.151 175.101 176.117 0.225 0.000 1.114 77 I CA -1.543 59.908 61.300 0.252 0.000 1.038 77 I CB 1.869 39.981 38.000 0.187 0.000 1.238 77 I HN 0.137 nan 8.210 nan 0.000 0.420 78 Y N 6.893 127.328 120.300 0.225 0.000 2.511 78 Y HA 0.438 4.988 4.550 0.000 0.000 0.332 78 Y C 1.394 177.279 175.900 -0.026 0.000 1.177 78 Y CA 0.975 59.010 58.100 -0.107 0.000 1.422 78 Y CB 0.769 38.925 38.460 -0.507 0.000 1.271 78 Y HN 1.180 nan 8.280 nan 0.000 0.550 79 G N 3.359 111.444 108.800 -1.192 0.000 2.187 79 G HA2 -0.280 3.680 3.960 0.000 0.000 0.261 79 G HA3 -0.280 3.680 3.960 0.000 0.000 0.261 79 G C 0.260 174.933 174.900 -0.379 0.000 1.000 79 G CA 0.737 45.231 45.100 -1.010 0.000 0.718 79 G HN 0.786 nan 8.290 nan 0.000 0.519 80 V N -0.949 118.802 119.914 -0.271 0.000 3.177 80 V HA 0.187 4.307 4.120 0.000 0.000 0.219 80 V C 1.952 177.973 176.094 -0.121 0.000 1.344 80 V CA 1.975 64.208 62.300 -0.111 0.000 1.324 80 V CB 0.595 32.409 31.823 -0.015 0.000 1.165 80 V HN 0.741 nan 8.190 nan 0.000 0.510 81 T N -0.917 113.573 114.554 -0.106 0.000 3.248 81 T HA 0.413 4.763 4.350 0.000 0.000 0.271 81 T C 0.193 174.821 174.700 -0.120 0.000 1.005 81 T CA 0.356 62.401 62.100 -0.091 0.000 0.902 81 T CB -0.037 68.808 68.868 -0.038 0.000 1.102 81 T HN 0.496 nan 8.240 nan 0.000 0.548 82 S N -0.475 115.087 115.700 -0.230 0.000 2.618 82 S HA 0.777 5.247 4.470 0.000 0.000 0.277 82 S C 0.118 174.374 174.600 -0.573 0.000 1.138 82 S CA -0.436 57.602 58.200 -0.270 0.000 0.844 82 S CB 1.331 64.443 63.200 -0.146 0.000 1.127 82 S HN 1.472 nan 8.310 nan 0.000 0.474 83 G N 0.651 109.077 108.800 -0.623 0.000 3.313 83 G HA2 -0.051 3.909 3.960 0.000 0.000 0.563 83 G HA3 -0.051 3.909 3.960 0.000 0.000 0.563 83 G C -0.825 173.814 174.900 -0.436 0.000 1.037 83 G CA -0.725 44.154 45.100 -0.369 0.000 0.848 83 G HN 0.741 nan 8.290 nan 0.000 0.416 84 F N 1.830 121.780 119.950 -0.000 0.000 2.422 84 F HA 0.635 5.162 4.527 0.000 0.000 0.333 84 F C 1.616 177.539 175.800 0.204 0.000 1.095 84 F CA 0.576 58.639 58.000 0.106 0.000 1.038 84 F CB 1.534 40.599 39.000 0.110 0.000 1.156 84 F HN 1.218 nan 8.300 nan 0.000 0.483 85 G N 1.792 110.908 108.800 0.527 0.000 2.660 85 G HA2 -0.247 3.713 3.960 0.000 0.000 0.321 85 G HA3 -0.247 3.713 3.960 0.000 0.000 0.321 85 G C 0.703 175.694 174.900 0.152 0.000 1.246 85 G CA -0.159 45.086 45.100 0.241 0.000 1.000 85 G HN 1.164 nan 8.290 nan 0.000 0.550 89 N N 0.302 119.019 118.700 0.028 0.000 2.276 89 N HA 0.253 4.993 4.740 0.000 0.000 0.212 89 N C -0.402 175.106 175.510 -0.004 0.000 1.127 89 N CA -0.062 52.997 53.050 0.016 0.000 0.834 89 N CB 0.824 39.322 38.487 0.018 0.000 1.014 89 N HN 0.079 nan 8.380 nan 0.000 0.491 90 V N 1.706 121.606 119.914 -0.024 0.000 2.385 90 V HA 0.383 4.503 4.120 0.000 0.000 0.269 90 V C 0.534 176.594 176.094 -0.057 0.000 1.043 90 V CA -0.929 61.344 62.300 -0.044 0.000 0.906 90 V CB 0.725 32.509 31.823 -0.064 0.000 0.995 90 V HN 0.355 nan 8.190 nan 0.000 0.467 91 A N 6.982 129.778 122.820 -0.040 0.000 2.454 91 A HA 0.628 4.948 4.320 0.000 0.000 0.260 91 A C -0.251 177.299 177.584 -0.057 0.000 1.106 91 A CA -0.099 51.914 52.037 -0.040 0.000 0.780 91 A CB -0.144 18.843 19.000 -0.023 0.000 1.044 91 A HN 1.031 nan 8.150 nan 0.000 0.498 92 I N 1.501 122.026 120.570 -0.074 0.000 2.474 92 I HA 0.684 4.854 4.170 0.000 0.000 0.294 92 I C 0.144 176.227 176.117 -0.056 0.000 1.005 92 I CA -0.375 60.882 61.300 -0.073 0.000 1.113 92 I CB 2.224 40.162 38.000 -0.103 0.000 1.289 92 I HN 0.540 nan 8.210 nan 0.000 0.436 93 S N 5.548 121.223 115.700 -0.041 0.000 2.646 93 S HA 0.403 4.873 4.470 0.000 0.000 0.276 93 S C 1.217 175.798 174.600 -0.032 0.000 1.222 93 S CA -0.385 57.796 58.200 -0.033 0.000 1.014 93 S CB 1.428 64.613 63.200 -0.026 0.000 0.991 93 S HN 0.968 nan 8.310 nan 0.000 0.533 94 R N 0.589 121.072 120.500 -0.030 0.000 2.170 94 R HA -0.154 4.187 4.340 0.000 0.000 0.242 94 R C 0.907 177.194 176.300 -0.022 0.000 1.145 94 R CA 1.842 57.925 56.100 -0.028 0.000 0.984 94 R CB -0.721 29.561 30.300 -0.030 0.000 0.869 94 R HN 0.658 nan 8.270 nan 0.000 0.455 95 E N 0.947 121.135 120.200 -0.020 0.000 2.338 95 E HA -0.108 4.242 4.350 0.000 0.000 0.197 95 E C 1.132 177.725 176.600 -0.012 0.000 1.007 95 E CA 1.100 57.492 56.400 -0.015 0.000 0.849 95 E CB 0.169 29.860 29.700 -0.014 0.000 0.774 95 E HN 0.578 nan 8.360 nan 0.000 0.506 96 Q N -1.150 118.641 119.800 -0.015 0.000 2.194 96 Q HA 0.357 4.697 4.340 0.000 0.000 0.214 96 Q C 1.459 177.455 176.000 -0.008 0.000 0.838 96 Q CA 0.259 56.056 55.803 -0.010 0.000 0.972 96 Q CB 0.972 29.701 28.738 -0.016 0.000 1.131 96 Q HN 0.208 nan 8.270 nan 0.000 0.498 97 A N 0.462 123.274 122.820 -0.013 0.000 1.929 97 A HA -0.142 4.179 4.320 0.000 0.000 0.216 97 A C 2.132 179.720 177.584 0.007 0.000 1.176 97 A CA 1.654 53.683 52.037 -0.014 0.000 0.628 97 A CB -0.407 18.580 19.000 -0.022 0.000 0.816 97 A HN 0.277 nan 8.150 nan 0.000 0.444 98 S N 0.161 115.867 115.700 0.009 0.000 2.348 98 S HA -0.204 4.266 4.470 0.000 0.000 0.221 98 S C 2.051 176.675 174.600 0.041 0.000 1.033 98 S CA 1.629 59.841 58.200 0.019 0.000 1.010 98 S CB -0.459 62.748 63.200 0.012 0.000 0.891 98 S HN 0.775 nan 8.310 nan 0.000 0.442 99 E N 0.556 120.781 120.200 0.041 0.000 2.338 99 E HA -0.140 4.210 4.350 0.000 0.000 0.197 99 E C 2.091 178.750 176.600 0.097 0.000 1.007 99 E CA 0.828 57.266 56.400 0.063 0.000 0.849 99 E CB -0.379 29.349 29.700 0.046 0.000 0.774 99 E HN 0.502 nan 8.360 nan 0.000 0.506 100 L N 1.264 122.541 121.223 0.091 0.000 2.027 100 L HA -0.188 4.153 4.340 0.000 0.000 0.206 100 L C 2.373 179.386 176.870 0.239 0.000 1.074 100 L CA 1.743 56.674 54.840 0.151 0.000 0.745 100 L CB -0.330 41.769 42.059 0.067 0.000 0.898 100 L HN 0.011 nan 8.230 nan 0.000 0.433 101 Q N -0.873 119.024 119.800 0.163 0.000 2.124 101 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 101 Q C 2.176 178.224 176.000 0.079 0.000 0.977 101 Q CA 2.154 58.031 55.803 0.123 0.000 0.850 101 Q CB -0.881 27.893 28.738 0.061 0.000 0.901 101 Q HN 0.528 nan 8.270 nan 0.000 0.429 102 T N 1.138 115.752 114.554 0.100 0.000 2.812 102 T HA -0.100 4.250 4.350 0.000 0.000 0.264 102 T C 1.675 176.515 174.700 0.233 0.000 1.042 102 T CA 1.361 63.532 62.100 0.118 0.000 1.140 102 T CB -0.270 68.680 68.868 0.136 0.000 0.870 102 T HN 0.301 nan 8.240 nan 0.000 0.445 103 N N 0.698 119.561 118.700 0.271 0.000 2.453 103 N HA -0.015 4.725 4.740 0.000 0.000 0.183 103 N C 1.591 177.335 175.510 0.390 0.000 1.041 103 N CA 0.255 53.529 53.050 0.373 0.000 0.900 103 N CB -0.290 38.376 38.487 0.297 0.000 0.961 103 N HN 0.145 nan 8.380 nan 0.000 0.443 104 L N -0.183 121.168 121.223 0.214 0.000 2.093 104 L HA -0.034 4.306 4.340 0.000 0.000 0.208 104 L C 1.699 178.314 176.870 -0.425 0.000 1.085 104 L CA 1.272 56.031 54.840 -0.135 0.000 0.755 104 L CB -0.424 41.478 42.059 -0.261 0.000 0.904 104 L HN 0.032 nan 8.230 nan 0.000 0.435 105 V N -1.788 117.986 119.914 -0.233 0.000 2.427 105 V HA -0.271 3.850 4.120 0.000 0.000 0.248 105 V C 2.153 178.076 176.094 -0.285 0.000 1.051 105 V CA 1.952 64.055 62.300 -0.328 0.000 1.048 105 V CB -1.060 30.527 31.823 -0.393 0.000 0.666 105 V HN 0.522 nan 8.190 nan 0.000 0.456 106 W N 0.447 121.714 121.300 -0.055 0.000 2.379 106 W HA -0.110 4.550 4.660 0.000 0.000 0.307 106 W C 2.439 178.961 176.519 0.005 0.000 1.200 106 W CA 1.490 58.845 57.345 0.017 0.000 1.297 106 W CB -0.547 28.960 29.460 0.078 0.000 1.140 106 W HN 0.418 nan 8.180 nan 0.000 0.507 107 F N -1.060 119.018 119.950 0.213 0.000 2.558 107 F HA 0.108 4.635 4.527 0.000 0.000 0.298 107 F C 1.375 177.199 175.800 0.041 0.000 1.119 107 F CA 1.051 59.120 58.000 0.115 0.000 1.451 107 F CB -0.963 38.091 39.000 0.090 0.000 1.091 107 F HN -0.208 nan 8.300 nan 0.000 0.563 108 L N 0.738 121.642 121.223 -0.532 0.000 2.558 108 L HA 0.090 4.430 4.340 0.000 0.000 0.225 108 L C 1.263 178.030 176.870 -0.172 0.000 1.128 108 L CA 0.297 54.900 54.840 -0.396 0.000 0.868 108 L CB -0.403 41.337 42.059 -0.532 0.000 1.006 108 L HN 0.046 nan 8.230 nan 0.000 0.454 109 K N 1.520 121.825 120.400 -0.159 0.000 2.449 109 K HA 0.021 4.342 4.320 0.000 0.000 0.237 109 K C 0.382 176.969 176.600 -0.022 0.000 1.265 109 K CA 0.155 56.306 56.287 -0.228 0.000 1.193 109 K CB -0.239 32.034 32.500 -0.378 0.000 1.515 109 K HN 0.127 nan 8.250 nan 0.000 0.259 110 T N -1.869 112.717 114.554 0.054 0.000 3.442 110 T HA 0.239 4.590 4.350 0.000 0.000 0.295 110 T C 0.576 175.242 174.700 -0.056 0.000 1.007 110 T CA -0.708 61.401 62.100 0.015 0.000 0.962 110 T CB 0.761 69.647 68.868 0.030 0.000 1.187 110 T HN 0.231 nan 8.240 nan 0.000 0.490 111 G N 0.683 109.402 108.800 -0.136 0.000 2.527 111 G HA2 0.625 4.585 3.960 0.000 0.000 0.248 111 G HA3 0.625 4.585 3.960 0.000 0.000 0.248 111 G C -0.214 174.151 174.900 -0.891 0.000 1.231 111 G CA -0.133 44.651 45.100 -0.527 0.000 0.838 111 G HN 0.888 nan 8.290 nan 0.000 0.570 112 A N -0.413 122.136 122.820 -0.452 0.000 2.564 112 A HA 1.040 5.360 4.320 0.000 0.000 0.288 112 A C 0.488 178.181 177.584 0.182 0.000 1.164 112 A CA 0.458 52.442 52.037 -0.088 0.000 0.712 112 A CB 1.032 20.134 19.000 0.170 0.000 1.303 112 A HN 2.698 nan 8.150 nan 0.000 0.418 113 G N 0.175 109.103 108.800 0.214 0.000 2.632 113 G HA2 -0.101 3.859 3.960 0.000 0.000 0.224 113 G HA3 -0.101 3.859 3.960 0.000 0.000 0.224 113 G C -0.350 174.520 174.900 -0.050 0.000 1.341 113 G CA -0.154 44.897 45.100 -0.082 0.000 0.880 113 G HN 1.186 nan 8.290 nan 0.000 0.566 114 N N 0.886 119.463 118.700 -0.205 0.000 2.326 114 N HA 0.322 5.063 4.740 0.000 0.000 0.239 114 N C 0.327 175.678 175.510 -0.267 0.000 1.301 114 N CA 0.062 52.989 53.050 -0.204 0.000 0.909 114 N CB 0.276 38.659 38.487 -0.173 0.000 1.156 114 N HN 0.535 nan 8.380 nan 0.000 0.462 115 K N 0.994 121.209 120.400 -0.308 0.000 2.110 115 K HA 0.360 4.680 4.320 0.000 0.000 0.263 115 K C 0.267 176.721 176.600 -0.242 0.000 0.975 115 K CA -0.599 55.478 56.287 -0.351 0.000 0.895 115 K CB 1.003 33.215 32.500 -0.480 0.000 1.060 115 K HN 0.391 nan 8.250 nan 0.000 0.448 116 L N 3.417 124.528 121.223 -0.186 0.000 2.514 116 L HA 0.021 4.361 4.340 0.000 0.000 0.280 116 L C -1.742 175.043 176.870 -0.142 0.000 1.223 116 L CA -1.445 53.314 54.840 -0.135 0.000 0.864 116 L CB -0.359 41.656 42.059 -0.074 0.000 1.118 116 L HN 0.240 nan 8.230 nan 0.000 0.494 117 P HA -0.034 nan 4.420 nan 0.000 0.265 117 P C 0.853 178.107 177.300 -0.076 0.000 1.187 117 P CA 0.047 63.090 63.100 -0.095 0.000 0.766 117 P CB 0.503 32.160 31.700 -0.071 0.000 0.820 118 L N 1.983 123.164 121.223 -0.069 0.000 2.187 118 L HA -0.237 4.103 4.340 0.000 0.000 0.213 118 L C 2.282 179.138 176.870 -0.023 0.000 1.100 118 L CA 1.815 56.633 54.840 -0.036 0.000 0.765 118 L CB -0.930 41.117 42.059 -0.020 0.000 0.904 118 L HN 0.433 nan 8.230 nan 0.000 0.437 119 A N -0.146 122.655 122.820 -0.033 0.000 1.972 119 A HA -0.197 4.123 4.320 0.000 0.000 0.219 119 A C 1.866 179.430 177.584 -0.034 0.000 1.169 119 A CA 1.831 53.847 52.037 -0.035 0.000 0.635 119 A CB -0.334 18.640 19.000 -0.042 0.000 0.810 119 A HN 0.361 nan 8.150 nan 0.000 0.446 120 D N -0.561 119.819 120.400 -0.034 0.000 2.249 120 D HA -0.006 4.634 4.640 0.000 0.000 0.205 120 D C 1.945 178.241 176.300 -0.007 0.000 0.962 120 D CA 0.901 54.884 54.000 -0.028 0.000 0.860 120 D CB -0.135 40.640 40.800 -0.042 0.000 0.955 120 D HN 0.248 nan 8.370 nan 0.000 0.505 121 V N 1.015 120.930 119.914 0.001 0.000 2.453 121 V HA -0.160 3.960 4.120 0.000 0.000 0.247 121 V C 2.434 178.542 176.094 0.024 0.000 1.048 121 V CA 1.284 63.600 62.300 0.026 0.000 1.049 121 V CB -0.296 31.552 31.823 0.042 0.000 0.672 121 V HN 0.091 nan 8.190 nan 0.000 0.457 122 R N 0.248 120.754 120.500 0.011 0.000 2.062 122 R HA -0.080 4.260 4.340 0.000 0.000 0.231 122 R C 2.546 178.842 176.300 -0.007 0.000 1.136 122 R CA 1.448 57.551 56.100 0.006 0.000 0.948 122 R CB -0.717 29.579 30.300 -0.006 0.000 0.845 122 R HN 0.497 nan 8.270 nan 0.000 0.430 123 A N 1.758 124.567 122.820 -0.019 0.000 1.903 123 A HA -0.153 4.167 4.320 0.000 0.000 0.219 123 A C 1.511 179.087 177.584 -0.014 0.000 1.191 123 A CA 1.654 53.676 52.037 -0.024 0.000 0.638 123 A CB -0.898 18.084 19.000 -0.031 0.000 0.823 123 A HN 0.469 nan 8.150 nan 0.000 0.451 127 L N 0.343 121.538 121.223 -0.048 0.000 2.083 127 L HA -0.073 4.267 4.340 0.000 0.000 0.209 127 L C 2.574 179.379 176.870 -0.109 0.000 1.083 127 L CA 1.753 56.556 54.840 -0.060 0.000 0.752 127 L CB -0.619 41.415 42.059 -0.042 0.000 0.899 127 L HN 0.344 nan 8.230 nan 0.000 0.433 128 R N 0.807 121.225 120.500 -0.138 0.000 2.075 128 R HA -0.080 4.260 4.340 0.000 0.000 0.232 128 R C 2.347 178.409 176.300 -0.397 0.000 1.126 128 R CA 1.435 57.365 56.100 -0.283 0.000 0.963 128 R CB -0.416 29.752 30.300 -0.219 0.000 0.858 128 R HN 0.306 nan 8.270 nan 0.000 0.435 129 A N 0.565 123.285 122.820 -0.168 0.000 1.877 129 A HA -0.235 4.086 4.320 0.000 0.000 0.216 129 A C 2.025 179.578 177.584 -0.052 0.000 1.186 129 A CA 1.897 53.900 52.037 -0.058 0.000 0.620 129 A CB -0.997 17.993 19.000 -0.017 0.000 0.822 129 A HN 0.515 nan 8.150 nan 0.000 0.443 130 N N -0.019 118.642 118.700 -0.064 0.000 2.061 130 N HA -0.177 4.563 4.740 0.000 0.000 0.193 130 N C 2.012 177.494 175.510 -0.048 0.000 1.030 130 N CA 2.019 55.043 53.050 -0.043 0.000 0.856 130 N CB -0.373 38.088 38.487 -0.042 0.000 1.023 130 N HN 0.389 nan 8.380 nan 0.000 0.424 131 S N -0.939 114.698 115.700 -0.104 0.000 2.365 131 S HA -0.154 4.316 4.470 0.000 0.000 0.225 131 S C 0.637 175.234 174.600 -0.006 0.000 1.039 131 S CA 0.959 59.104 58.200 -0.091 0.000 1.033 131 S CB -0.642 62.457 63.200 -0.168 0.000 0.887 131 S HN 0.552 nan 8.310 nan 0.000 0.447 135 G N 0.987 109.813 108.800 0.044 0.000 2.175 135 G HA2 -0.291 3.669 3.960 0.000 0.000 0.244 135 G HA3 -0.291 3.669 3.960 0.000 0.000 0.244 135 G C 0.647 175.561 174.900 0.024 0.000 0.982 135 G CA 0.455 45.573 45.100 0.030 0.000 0.641 135 G HN 0.497 nan 8.290 nan 0.000 0.527 136 A N -0.152 122.690 122.820 0.038 0.000 2.345 136 A HA 0.719 5.039 4.320 0.000 0.000 0.225 136 A C 1.922 179.534 177.584 0.045 0.000 1.243 136 A CA 1.663 53.718 52.037 0.029 0.000 0.875 136 A CB 0.001 19.026 19.000 0.042 0.000 0.929 136 A HN 0.699 nan 8.150 nan 0.000 0.502 137 S N -1.175 114.559 115.700 0.057 0.000 2.497 137 S HA 0.350 4.821 4.470 0.000 0.000 0.218 137 S C 1.325 175.938 174.600 0.022 0.000 1.023 137 S CA 0.518 58.755 58.200 0.063 0.000 0.913 137 S CB 0.238 63.506 63.200 0.113 0.000 0.800 137 S HN 1.546 nan 8.310 nan 0.000 0.505 138 G N 2.065 110.871 108.800 0.010 0.000 2.272 138 G HA2 -0.258 3.702 3.960 0.000 0.000 0.280 138 G HA3 -0.258 3.702 3.960 0.000 0.000 0.280 138 G C -0.182 174.695 174.900 -0.038 0.000 1.067 138 G CA 0.360 45.468 45.100 0.013 0.000 0.902 138 G HN 0.535 nan 8.290 nan 0.000 0.500 139 I N -0.806 119.705 120.570 -0.098 0.000 2.562 139 I HA 0.589 4.759 4.170 0.000 0.000 0.301 139 I C 0.775 176.820 176.117 -0.120 0.000 1.003 139 I CA -1.624 59.578 61.300 -0.163 0.000 1.127 139 I CB 0.920 38.695 38.000 -0.376 0.000 1.304 139 I HN 0.146 nan 8.210 nan 0.000 0.446 140 R N 4.984 125.423 120.500 -0.102 0.000 2.484 140 R HA 0.030 4.370 4.340 0.000 0.000 0.293 140 R C 0.975 177.233 176.300 -0.070 0.000 1.023 140 R CA -0.240 55.819 56.100 -0.069 0.000 1.037 140 R CB 0.554 30.819 30.300 -0.059 0.000 0.951 140 R HN 0.604 nan 8.270 nan 0.000 0.418 141 L N 3.882 125.079 121.223 -0.043 0.000 2.103 141 L HA -0.310 4.030 4.340 0.000 0.000 0.215 141 L C 2.107 178.960 176.870 -0.029 0.000 1.080 141 L CA 2.175 56.999 54.840 -0.027 0.000 0.764 141 L CB -0.424 41.627 42.059 -0.013 0.000 0.890 141 L HN 0.737 nan 8.230 nan 0.000 0.435 142 E N -1.320 118.861 120.200 -0.033 0.000 2.160 142 E HA -0.264 4.086 4.350 0.000 0.000 0.195 142 E C 2.056 178.627 176.600 -0.048 0.000 0.991 142 E CA 1.273 57.654 56.400 -0.031 0.000 0.810 142 E CB -0.162 29.521 29.700 -0.028 0.000 0.742 142 E HN 0.454 nan 8.360 nan 0.000 0.466 143 L N 0.527 121.710 121.223 -0.068 0.000 2.270 143 L HA 0.069 4.410 4.340 0.000 0.000 0.210 143 L C 1.880 178.707 176.870 -0.073 0.000 1.104 143 L CA 1.075 55.859 54.840 -0.093 0.000 0.804 143 L CB -0.059 41.929 42.059 -0.117 0.000 0.937 143 L HN 0.224 nan 8.230 nan 0.000 0.450 144 I N -0.981 119.567 120.570 -0.038 0.000 2.286 144 I HA -0.218 3.952 4.170 0.000 0.000 0.245 144 I C 2.331 178.446 176.117 -0.004 0.000 1.104 144 I CA 0.783 62.095 61.300 0.020 0.000 1.397 144 I CB -0.294 37.734 38.000 0.047 0.000 1.072 144 I HN 0.113 nan 8.210 nan 0.000 0.417 145 K N 1.252 121.643 120.400 -0.014 0.000 2.097 145 K HA -0.138 4.182 4.320 0.000 0.000 0.206 145 K C 1.338 177.929 176.600 -0.014 0.000 1.049 145 K CA 0.840 57.123 56.287 -0.006 0.000 0.933 145 K CB -0.129 32.370 32.500 -0.002 0.000 0.717 145 K HN -0.030 nan 8.250 nan 0.000 0.442 149 I N 1.296 121.920 120.570 0.090 0.000 2.202 149 I HA -0.144 4.026 4.170 0.000 0.000 0.242 149 I C 2.241 178.458 176.117 0.166 0.000 1.091 149 I CA 1.399 62.772 61.300 0.121 0.000 1.368 149 I CB -0.363 37.719 38.000 0.138 0.000 1.058 149 I HN 0.124 nan 8.210 nan 0.000 0.410 150 F N 0.823 120.720 119.950 -0.087 0.000 2.120 150 F HA -0.284 4.243 4.527 0.000 0.000 0.300 150 F C 2.437 178.171 175.800 -0.111 0.000 1.095 150 F CA 1.149 59.071 58.000 -0.131 0.000 1.249 150 F CB -0.305 38.627 39.000 -0.113 0.000 0.995 150 F HN 0.001 nan 8.300 nan 0.000 0.480 151 L N -0.231 121.067 121.223 0.126 0.000 2.017 151 L HA -0.267 4.073 4.340 0.000 0.000 0.208 151 L C 2.043 178.920 176.870 0.011 0.000 1.073 151 L CA 1.200 56.069 54.840 0.048 0.000 0.745 151 L CB -0.606 41.474 42.059 0.035 0.000 0.894 151 L HN 0.133 nan 8.230 nan 0.000 0.432 152 N N -0.173 118.537 118.700 0.016 0.000 2.354 152 N HA -0.056 4.684 4.740 0.000 0.000 0.179 152 N C 1.644 177.152 175.510 -0.004 0.000 1.021 152 N CA 1.242 54.297 53.050 0.008 0.000 0.887 152 N CB -0.130 38.368 38.487 0.018 0.000 0.974 152 N HN 0.274 nan 8.380 nan 0.000 0.437 153 A N -0.012 122.785 122.820 -0.039 0.000 2.169 153 A HA 0.382 4.702 4.320 0.000 0.000 0.212 153 A C 1.335 178.857 177.584 -0.104 0.000 1.153 153 A CA 0.709 52.709 52.037 -0.062 0.000 0.756 153 A CB -0.382 18.528 19.000 -0.150 0.000 0.813 153 A HN 0.264 nan 8.150 nan 0.000 0.471 154 G N -0.808 107.921 108.800 -0.118 0.000 2.225 154 G HA2 -0.148 3.812 3.960 0.000 0.000 0.264 154 G HA3 -0.148 3.812 3.960 0.000 0.000 0.264 154 G C -0.084 174.673 174.900 -0.239 0.000 1.060 154 G CA 0.181 45.222 45.100 -0.099 0.000 0.833 154 G HN 0.841 nan 8.290 nan 0.000 0.498 155 V N 0.803 120.447 119.914 -0.449 0.000 2.370 155 V HA 0.664 4.784 4.120 0.000 0.000 0.279 155 V C 0.459 176.410 176.094 -0.238 0.000 1.029 155 V CA 0.002 61.918 62.300 -0.640 0.000 0.870 155 V CB 1.688 32.727 31.823 -1.307 0.000 0.984 155 V HN 0.369 nan 8.190 nan 0.000 0.451 156 T N 7.544 122.050 114.554 -0.081 0.000 2.815 156 T HA 0.411 4.761 4.350 0.000 0.000 0.289 156 T C -2.762 172.031 174.700 0.155 0.000 1.000 156 T CA -1.401 60.742 62.100 0.072 0.000 0.958 156 T CB 1.827 70.736 68.868 0.068 0.000 0.944 156 T HN 0.357 nan 8.240 nan 0.000 0.442 157 P HA 0.127 nan 4.420 nan 0.000 0.268 157 P C -0.501 176.989 177.300 0.316 0.000 1.204 157 P CA -0.500 62.742 63.100 0.236 0.000 0.768 157 P CB 0.167 32.003 31.700 0.226 0.000 0.842 158 Y N 1.813 122.148 120.300 0.058 0.000 2.717 158 Y HA 0.150 4.700 4.550 0.000 0.000 0.330 158 Y C 0.892 176.754 175.900 -0.065 0.000 1.217 158 Y CA 0.060 58.136 58.100 -0.039 0.000 1.506 158 Y CB -0.238 38.173 38.460 -0.082 0.000 1.268 158 Y HN 0.060 nan 8.280 nan 0.000 0.561 159 V N 4.941 124.835 119.914 -0.033 0.000 2.709 159 V HA 0.357 4.477 4.120 0.000 0.000 0.308 159 V C -0.892 175.108 176.094 -0.157 0.000 1.062 159 V CA -1.441 60.805 62.300 -0.090 0.000 0.901 159 V CB 1.784 33.630 31.823 0.039 0.000 1.003 159 V HN 0.481 nan 8.190 nan 0.000 0.425 160 Y N 1.633 121.758 120.300 -0.293 0.000 2.403 160 Y HA 0.281 4.832 4.550 0.000 0.000 0.323 160 Y C 1.620 177.468 175.900 -0.086 0.000 1.226 160 Y CA -0.464 57.498 58.100 -0.229 0.000 1.235 160 Y CB 1.221 39.519 38.460 -0.271 0.000 1.248 160 Y HN 0.839 nan 8.280 nan 0.000 0.489 161 E N 0.618 120.803 120.200 -0.025 0.000 2.274 161 E HA -0.019 4.331 4.350 0.000 0.000 0.194 161 E C -0.702 175.976 176.600 0.130 0.000 0.996 161 E CA 0.814 57.158 56.400 -0.092 0.000 0.840 161 E CB -0.001 29.438 29.700 -0.436 0.000 0.772 161 E HN 0.425 nan 8.360 nan 0.000 0.491 162 F N -0.839 119.261 119.950 0.250 0.000 2.522 162 F HA 0.611 5.139 4.527 0.000 0.000 0.324 162 F C 1.091 176.901 175.800 0.016 0.000 1.077 162 F CA -0.603 57.492 58.000 0.159 0.000 0.944 162 F CB 2.504 41.557 39.000 0.088 0.000 1.175 162 F HN 0.006 nan 8.300 nan 0.000 0.468 163 G N 0.636 109.532 108.800 0.159 0.000 2.902 163 G HA2 -0.099 3.861 3.960 0.000 0.000 0.215 163 G HA3 -0.099 3.861 3.960 0.000 0.000 0.215 163 G C -0.532 174.299 174.900 -0.115 0.000 0.976 163 G CA -0.088 45.007 45.100 -0.009 0.000 0.794 163 G HN 0.723 nan 8.290 nan 0.000 0.557 164 S N 0.346 115.925 115.700 -0.202 0.000 2.561 164 S HA 0.616 5.087 4.470 0.000 0.000 0.303 164 S C 0.963 175.547 174.600 -0.027 0.000 1.110 164 S CA -0.343 57.716 58.200 -0.235 0.000 1.034 164 S CB 0.865 63.697 63.200 -0.614 0.000 1.010 164 S HN 0.942 nan 8.310 nan 0.000 0.482 165 I N 2.446 123.014 120.570 -0.003 0.000 3.861 165 I HA 0.574 4.744 4.170 0.000 0.000 0.329 165 I C 0.931 177.081 176.117 0.056 0.000 1.321 165 I CA -0.129 61.197 61.300 0.043 0.000 1.126 165 I CB -0.792 37.219 38.000 0.018 0.000 1.018 165 I HN 0.819 nan 8.210 nan 0.000 0.407 171 L N -0.325 120.825 121.223 -0.123 0.000 1.989 171 L HA -0.162 4.178 4.340 0.000 0.000 0.211 171 L C 2.350 179.135 176.870 -0.143 0.000 1.071 171 L CA 1.359 56.109 54.840 -0.150 0.000 0.749 171 L CB -0.345 41.604 42.059 -0.184 0.000 0.890 171 L HN 0.083 nan 8.230 nan 0.000 0.431 172 V N -0.282 119.556 119.914 -0.126 0.000 2.323 172 V HA -0.120 4.000 4.120 0.000 0.000 0.244 172 V C -0.272 175.880 176.094 0.096 0.000 1.041 172 V CA 1.808 64.081 62.300 -0.045 0.000 1.025 172 V CB -1.459 30.343 31.823 -0.035 0.000 0.656 172 V HN 0.320 nan 8.190 nan 0.000 0.451 173 P HA -0.120 nan 4.420 nan 0.000 0.216 173 P C 1.879 179.261 177.300 0.136 0.000 1.153 173 P CA 1.405 64.543 63.100 0.064 0.000 0.848 173 P CB -0.054 31.599 31.700 -0.078 0.000 0.787 174 L N -0.425 120.821 121.223 0.039 0.000 2.362 174 L HA -0.102 4.238 4.340 0.000 0.000 0.219 174 L C 2.494 179.357 176.870 -0.011 0.000 1.134 174 L CA 1.468 56.318 54.840 0.016 0.000 0.807 174 L CB -0.872 41.173 42.059 -0.023 0.000 0.927 174 L HN 0.117 nan 8.230 nan 0.000 0.447 175 S N -1.072 114.621 115.700 -0.011 0.000 2.406 175 S HA -0.188 4.283 4.470 0.000 0.000 0.228 175 S C 1.906 176.438 174.600 -0.114 0.000 1.020 175 S CA 0.695 58.819 58.200 -0.126 0.000 0.965 175 S CB -0.566 62.511 63.200 -0.205 0.000 0.798 175 S HN 0.421 nan 8.310 nan 0.000 0.488 176 Y N 1.532 121.863 120.300 0.051 0.000 2.200 176 Y HA 0.094 4.644 4.550 0.000 0.000 0.290 176 Y C 2.333 178.240 175.900 0.011 0.000 1.137 176 Y CA 1.077 59.281 58.100 0.173 0.000 1.163 176 Y CB -0.456 38.151 38.460 0.246 0.000 0.988 176 Y HN 0.220 nan 8.280 nan 0.000 0.518 177 I N -0.481 120.169 120.570 0.133 0.000 2.099 177 I HA -0.356 3.814 4.170 0.000 0.000 0.239 177 I C 2.274 178.303 176.117 -0.148 0.000 1.066 177 I CA 1.877 63.182 61.300 0.008 0.000 1.324 177 I CB -0.735 37.266 38.000 0.002 0.000 1.037 177 I HN 0.202 nan 8.210 nan 0.000 0.401 178 T N 0.460 114.898 114.554 -0.194 0.000 2.580 178 T HA -0.201 4.149 4.350 0.000 0.000 0.265 178 T C 1.972 176.409 174.700 -0.438 0.000 1.063 178 T CA 1.722 63.654 62.100 -0.281 0.000 1.170 178 T CB -1.180 67.534 68.868 -0.255 0.000 0.863 178 T HN 0.592 nan 8.240 nan 0.000 0.418 179 G N 1.007 109.379 108.800 -0.713 0.000 2.505 179 G HA2 -0.265 3.695 3.960 0.000 0.000 0.220 179 G HA3 -0.265 3.695 3.960 0.000 0.000 0.220 179 G C 1.893 176.227 174.900 -0.943 0.000 1.145 179 G CA 1.452 45.737 45.100 -1.357 0.000 0.761 179 G HN 0.518 nan 8.290 nan 0.000 0.571 180 S N 0.298 115.699 115.700 -0.500 0.000 2.345 180 S HA 0.031 4.502 4.470 0.000 0.000 0.219 180 S C 2.326 176.883 174.600 -0.073 0.000 1.031 180 S CA 0.844 58.974 58.200 -0.117 0.000 0.984 180 S CB -0.320 62.947 63.200 0.111 0.000 0.874 180 S HN 0.321 nan 8.310 nan 0.000 0.451 181 L N 1.693 122.747 121.223 -0.282 0.000 2.021 181 L HA -0.165 4.175 4.340 0.000 0.000 0.215 181 L C 2.245 178.958 176.870 -0.263 0.000 1.074 181 L CA 1.494 56.012 54.840 -0.536 0.000 0.760 181 L CB -0.702 41.022 42.059 -0.559 0.000 0.889 181 L HN 0.462 nan 8.230 nan 0.000 0.433 182 I N -3.104 117.330 120.570 -0.228 0.000 3.684 182 I HA 0.265 4.436 4.170 0.000 0.000 0.304 182 I C 1.242 177.299 176.117 -0.101 0.000 1.278 182 I CA 0.513 61.720 61.300 -0.155 0.000 1.272 182 I CB -0.543 37.353 38.000 -0.174 0.000 1.029 182 I HN 0.281 nan 8.210 nan 0.000 0.458 183 G N 2.792 111.538 108.800 -0.091 0.000 2.323 183 G HA2 -0.314 3.646 3.960 0.000 0.000 0.292 183 G HA3 -0.314 3.646 3.960 0.000 0.000 0.292 183 G C 0.567 175.445 174.900 -0.036 0.000 1.040 183 G CA 0.605 45.690 45.100 -0.025 0.000 0.942 183 G HN 0.525 nan 8.290 nan 0.000 0.506 184 L N -0.413 120.725 121.223 -0.142 0.000 2.127 184 L HA 0.285 4.626 4.340 0.000 0.000 0.211 184 L C 0.840 177.771 176.870 0.101 0.000 1.089 184 L CA 2.552 57.342 54.840 -0.083 0.000 0.757 184 L CB 0.024 41.901 42.059 -0.302 0.000 0.899 184 L HN 0.573 nan 8.230 nan 0.000 0.434 185 D N -3.706 116.798 120.400 0.173 0.000 2.722 185 D HA 0.215 4.856 4.640 0.000 0.000 0.231 185 D C -2.410 174.029 176.300 0.232 0.000 1.218 185 D CA -0.807 53.353 54.000 0.267 0.000 0.753 185 D CB 1.273 42.287 40.800 0.356 0.000 1.471 185 D HN -0.321 nan 8.370 nan 0.000 0.455 186 P HA -0.036 nan 4.420 nan 0.000 0.228 186 P C 0.814 178.155 177.300 0.068 0.000 1.151 186 P CA 0.725 63.888 63.100 0.104 0.000 0.770 186 P CB 0.007 31.756 31.700 0.081 0.000 0.786 187 S N -2.128 113.589 115.700 0.029 0.000 2.527 187 S HA 0.030 4.501 4.470 0.000 0.000 0.222 187 S C 0.522 174.999 174.600 -0.205 0.000 0.985 187 S CA -0.177 57.966 58.200 -0.095 0.000 0.921 187 S CB -1.045 62.070 63.200 -0.141 0.000 0.772 187 S HN -0.052 nan 8.310 nan 0.000 0.529 188 F N 3.132 123.055 119.950 -0.045 0.000 2.445 188 F HA 0.450 4.977 4.527 0.000 0.000 0.359 188 F C 0.823 176.598 175.800 -0.041 0.000 1.101 188 F CA -0.429 57.551 58.000 -0.033 0.000 1.177 188 F CB 0.714 39.655 39.000 -0.098 0.000 1.110 188 F HN -0.161 nan 8.300 nan 0.000 0.522 189 K N 3.516 123.954 120.400 0.064 0.000 2.203 189 K HA 0.738 5.058 4.320 0.000 0.000 0.251 189 K C -0.625 175.731 176.600 -0.407 0.000 0.944 189 K CA -0.761 55.376 56.287 -0.250 0.000 0.829 189 K CB 2.371 34.571 32.500 -0.500 0.000 1.125 189 K HN 0.454 nan 8.250 nan 0.000 0.430 190 V N -2.135 117.511 119.914 -0.446 0.000 3.102 190 V HA 0.485 4.606 4.120 0.000 0.000 0.312 190 V C -0.858 175.108 176.094 -0.212 0.000 1.135 190 V CA -1.086 61.060 62.300 -0.257 0.000 1.022 190 V CB 2.122 33.893 31.823 -0.086 0.000 1.056 190 V HN 0.718 nan 8.190 nan 0.000 0.436 191 D N 1.355 121.836 120.400 0.135 0.000 2.274 191 D HA 0.381 5.021 4.640 0.000 0.000 0.239 191 D C -1.089 175.272 176.300 0.101 0.000 1.104 191 D CA -0.164 53.960 54.000 0.208 0.000 0.840 191 D CB 1.067 42.025 40.800 0.264 0.000 1.100 191 D HN 0.626 nan 8.370 nan 0.000 0.477 192 F N 4.721 124.656 119.950 -0.025 0.000 2.307 192 F HA 0.248 4.775 4.527 0.000 0.000 0.369 192 F C 0.236 176.015 175.800 -0.036 0.000 1.076 192 F CA -0.984 56.977 58.000 -0.065 0.000 1.149 192 F CB 0.261 39.206 39.000 -0.092 0.000 1.410 192 F HN 0.370 nan 8.300 nan 0.000 0.481 193 N N 3.935 122.819 118.700 0.306 0.000 2.710 193 N HA -0.232 4.508 4.740 0.000 0.000 0.249 193 N C 0.813 176.390 175.510 0.111 0.000 1.059 193 N CA 1.457 54.618 53.050 0.186 0.000 0.720 193 N CB -1.106 37.506 38.487 0.208 0.000 0.983 193 N HN 1.098 nan 8.380 nan 0.000 0.544 194 G N -2.618 106.246 108.800 0.107 0.000 2.253 194 G HA2 -0.271 3.689 3.960 0.000 0.000 0.209 194 G HA3 -0.271 3.689 3.960 0.000 0.000 0.209 194 G C -0.247 174.698 174.900 0.076 0.000 0.997 194 G CA 0.383 45.526 45.100 0.073 0.000 0.640 194 G HN 0.937 nan 8.290 nan 0.000 0.496 195 K N 0.818 121.270 120.400 0.088 0.000 2.235 195 K HA 0.803 5.123 4.320 0.000 0.000 0.266 195 K C 0.071 176.729 176.600 0.098 0.000 0.980 195 K CA -0.181 56.148 56.287 0.070 0.000 0.849 195 K CB 2.505 35.016 32.500 0.018 0.000 1.098 195 K HN 0.615 nan 8.250 nan 0.000 0.445 199 A N -0.356 122.504 122.820 0.066 0.000 1.930 199 A HA 0.228 4.549 4.320 0.000 0.000 0.215 199 A C -0.694 176.941 177.584 0.084 0.000 1.176 199 A CA 1.290 53.378 52.037 0.085 0.000 0.632 199 A CB -1.422 17.649 19.000 0.119 0.000 0.819 199 A HN 0.560 nan 8.150 nan 0.000 0.445 200 P HA -0.098 nan 4.420 nan 0.000 0.216 200 P C 1.335 178.673 177.300 0.064 0.000 1.150 200 P CA 1.751 64.894 63.100 0.070 0.000 0.837 200 P CB -0.264 31.478 31.700 0.070 0.000 0.786 201 T N -0.719 113.870 114.554 0.058 0.000 2.788 201 T HA -0.106 4.244 4.350 0.000 0.000 0.268 201 T C 1.906 176.654 174.700 0.080 0.000 1.044 201 T CA 1.563 63.695 62.100 0.053 0.000 1.139 201 T CB -0.833 68.058 68.868 0.038 0.000 0.867 201 T HN 0.069 nan 8.240 nan 0.000 0.454 202 A N 1.207 124.087 122.820 0.100 0.000 1.929 202 A HA 0.148 4.468 4.320 0.000 0.000 0.216 202 A C 2.260 179.902 177.584 0.097 0.000 1.176 202 A CA 0.814 52.944 52.037 0.155 0.000 0.628 202 A CB -0.655 18.352 19.000 0.012 0.000 0.816 202 A HN 0.464 nan 8.150 nan 0.000 0.444 203 L N -1.127 120.143 121.223 0.078 0.000 2.201 203 L HA -0.125 4.215 4.340 0.000 0.000 0.212 203 L C 2.790 179.709 176.870 0.081 0.000 1.105 203 L CA 0.920 55.816 54.840 0.094 0.000 0.775 203 L CB -0.530 41.595 42.059 0.109 0.000 0.913 203 L HN 0.379 nan 8.230 nan 0.000 0.440 204 R N 0.026 120.569 120.500 0.072 0.000 2.073 204 R HA -0.156 4.185 4.340 0.000 0.000 0.234 204 R C 2.290 178.624 176.300 0.056 0.000 1.134 204 R CA 1.302 57.435 56.100 0.055 0.000 0.952 204 R CB -0.258 30.066 30.300 0.041 0.000 0.850 204 R HN 0.508 nan 8.270 nan 0.000 0.433 205 Q N 0.391 120.236 119.800 0.075 0.000 2.170 205 Q HA -0.121 4.220 4.340 0.000 0.000 0.203 205 Q C 1.999 178.066 176.000 0.112 0.000 0.976 205 Q CA 1.063 56.911 55.803 0.074 0.000 0.858 205 Q CB -0.031 28.746 28.738 0.064 0.000 0.907 205 Q HN 0.383 nan 8.270 nan 0.000 0.433 206 L N 0.043 121.345 121.223 0.131 0.000 2.554 206 L HA 0.016 4.357 4.340 0.000 0.000 0.226 206 L C -0.209 176.705 176.870 0.073 0.000 1.137 206 L CA -0.005 54.897 54.840 0.103 0.000 0.863 206 L CB -0.305 41.796 42.059 0.069 0.000 0.985 206 L HN 0.277 nan 8.230 nan 0.000 0.451 207 N N 0.239 118.977 118.700 0.063 0.000 2.740 207 N HA -0.176 4.564 4.740 0.000 0.000 0.248 207 N C -0.808 174.731 175.510 0.049 0.000 1.062 207 N CA 0.334 53.413 53.050 0.047 0.000 0.704 207 N CB -1.153 37.357 38.487 0.037 0.000 0.968 207 N HN 0.221 nan 8.380 nan 0.000 0.547 208 L N 0.124 121.383 121.223 0.061 0.000 2.325 208 L HA 0.528 4.868 4.340 0.000 0.000 0.278 208 L C 0.629 177.530 176.870 0.052 0.000 1.023 208 L CA -0.885 53.992 54.840 0.062 0.000 0.811 208 L CB 1.663 43.778 42.059 0.093 0.000 1.249 208 L HN 0.176 nan 8.230 nan 0.000 0.431 209 S N 1.721 117.443 115.700 0.038 0.000 2.586 209 S HA 0.537 5.008 4.470 0.000 0.000 0.274 209 S C -2.510 172.105 174.600 0.026 0.000 1.281 209 S CA -1.374 56.844 58.200 0.029 0.000 1.035 209 S CB 0.786 63.998 63.200 0.020 0.000 0.962 209 S HN 0.307 nan 8.310 nan 0.000 0.512 210 P HA 0.303 nan 4.420 nan 0.000 0.269 210 P C -0.878 176.419 177.300 -0.004 0.000 1.209 210 P CA -0.271 62.835 63.100 0.010 0.000 0.776 210 P CB 0.333 32.044 31.700 0.018 0.000 0.876 211 L N 1.285 122.492 121.223 -0.026 0.000 2.322 211 L HA 0.509 4.849 4.340 0.000 0.000 0.269 211 L C 0.236 177.086 176.870 -0.033 0.000 1.012 211 L CA -0.546 54.274 54.840 -0.033 0.000 0.815 211 L CB 1.816 43.843 42.059 -0.053 0.000 1.295 211 L HN 0.268 nan 8.230 nan 0.000 0.438 212 T N 2.145 116.684 114.554 -0.025 0.000 2.771 212 T HA 0.492 4.842 4.350 0.000 0.000 0.281 212 T C -0.175 174.507 174.700 -0.029 0.000 0.982 212 T CA -0.568 61.521 62.100 -0.018 0.000 0.978 212 T CB 0.993 69.859 68.868 -0.002 0.000 0.930 212 T HN 0.237 nan 8.240 nan 0.000 0.447 213 L N 3.943 125.147 121.223 -0.032 0.000 2.418 213 L HA 0.296 4.636 4.340 0.000 0.000 0.274 213 L C 0.374 177.233 176.870 -0.018 0.000 1.135 213 L CA -0.477 54.340 54.840 -0.037 0.000 0.870 213 L CB 0.044 42.077 42.059 -0.045 0.000 1.154 213 L HN 0.423 nan 8.230 nan 0.000 0.462 214 L N 4.821 126.030 121.223 -0.024 0.000 2.475 214 L HA 0.329 4.670 4.340 0.000 0.000 0.253 214 L C -1.987 174.878 176.870 -0.008 0.000 1.198 214 L CA -1.999 52.831 54.840 -0.015 0.000 0.814 214 L CB -0.110 41.937 42.059 -0.021 0.000 1.134 214 L HN 0.346 nan 8.230 nan 0.000 0.478 215 P HA -0.065 nan 4.420 nan 0.000 0.261 215 P C 0.097 177.403 177.300 0.010 0.000 1.173 215 P CA 0.510 63.613 63.100 0.004 0.000 0.760 215 P CB 0.467 32.163 31.700 -0.007 0.000 0.783 216 K N 1.881 122.297 120.400 0.027 0.000 3.575 216 K HA -0.288 4.033 4.320 0.000 0.000 0.272 216 K C 1.072 177.681 176.600 0.014 0.000 1.019 216 K CA 1.586 57.896 56.287 0.038 0.000 1.123 216 K CB -1.123 31.404 32.500 0.046 0.000 1.364 216 K HN 0.488 nan 8.250 nan 0.000 0.482 217 E N -0.599 119.593 120.200 -0.014 0.000 2.106 217 E HA -0.116 4.234 4.350 0.000 0.000 0.192 217 E C 1.869 178.435 176.600 -0.057 0.000 0.984 217 E CA 1.208 57.574 56.400 -0.055 0.000 0.806 217 E CB -0.150 29.509 29.700 -0.068 0.000 0.750 217 E HN 0.576 nan 8.360 nan 0.000 0.458 218 G N 1.301 110.077 108.800 -0.041 0.000 2.408 218 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 218 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 218 G C 1.550 176.406 174.900 -0.074 0.000 1.150 218 G CA 0.320 45.379 45.100 -0.069 0.000 0.776 218 G HN 0.107 nan 8.290 nan 0.000 0.542 219 L N 1.190 122.398 121.223 -0.025 0.000 2.044 219 L HA 0.427 4.767 4.340 0.000 0.000 0.205 219 L C 2.270 179.155 176.870 0.025 0.000 1.075 219 L CA 1.021 55.852 54.840 -0.016 0.000 0.747 219 L CB -0.775 41.326 42.059 0.070 0.000 0.903 219 L HN 0.273 nan 8.230 nan 0.000 0.435 224 G N -1.116 107.735 108.800 0.085 0.000 2.921 224 G HA2 0.354 4.314 3.960 0.000 0.000 0.291 224 G HA3 0.354 4.314 3.960 0.000 0.000 0.291 224 G C 0.364 175.320 174.900 0.093 0.000 1.370 224 G CA -0.198 44.967 45.100 0.108 0.000 0.847 224 G HN 0.070 nan 8.290 nan 0.000 0.532 225 T N -2.232 112.370 114.554 0.080 0.000 3.186 225 T HA 0.236 4.586 4.350 0.000 0.000 0.257 225 T C 1.681 176.417 174.700 0.060 0.000 1.029 225 T CA 0.826 62.974 62.100 0.080 0.000 0.916 225 T CB 0.301 69.215 68.868 0.077 0.000 1.041 225 T HN 0.219 nan 8.240 nan 0.000 0.562 226 S N 1.233 116.955 115.700 0.036 0.000 2.368 226 S HA 0.016 4.486 4.470 0.000 0.000 0.225 226 S C 1.276 175.902 174.600 0.044 0.000 1.030 226 S CA 0.487 58.697 58.200 0.015 0.000 0.999 226 S CB -0.388 62.798 63.200 -0.024 0.000 0.844 226 S HN 0.539 nan 8.310 nan 0.000 0.459 230 G N 2.134 110.944 108.800 0.017 0.000 2.491 230 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 230 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 230 G C 1.413 176.308 174.900 -0.008 0.000 1.180 230 G CA 1.356 46.457 45.100 0.002 0.000 0.774 230 G HN 0.554 nan 8.290 nan 0.000 0.562 231 I N 1.471 122.031 120.570 -0.017 0.000 2.163 231 I HA -0.219 3.951 4.170 0.000 0.000 0.243 231 I C 3.320 179.424 176.117 -0.022 0.000 1.085 231 I CA 1.121 62.395 61.300 -0.044 0.000 1.347 231 I CB -0.311 37.623 38.000 -0.109 0.000 1.044 231 I HN 0.259 nan 8.210 nan 0.000 0.408 232 A N 0.694 123.510 122.820 -0.007 0.000 1.933 232 A HA -0.151 4.169 4.320 0.000 0.000 0.218 232 A C 2.532 180.136 177.584 0.034 0.000 1.175 232 A CA 1.847 53.893 52.037 0.015 0.000 0.628 232 A CB -0.782 18.232 19.000 0.025 0.000 0.814 232 A HN 0.451 nan 8.150 nan 0.000 0.444 233 A N 0.093 122.928 122.820 0.026 0.000 1.930 233 A HA -0.164 4.156 4.320 0.000 0.000 0.217 233 A C 1.914 179.532 177.584 0.058 0.000 1.175 233 A CA 1.694 53.753 52.037 0.036 0.000 0.627 233 A CB -0.528 18.479 19.000 0.012 0.000 0.815 233 A HN 0.532 nan 8.150 nan 0.000 0.443 234 N N -0.157 118.561 118.700 0.031 0.000 2.216 234 N HA -0.111 4.629 4.740 0.000 0.000 0.183 234 N C 1.700 177.280 175.510 0.116 0.000 1.017 234 N CA 1.402 54.480 53.050 0.046 0.000 0.861 234 N CB -0.804 37.679 38.487 -0.006 0.000 0.986 234 N HN 0.514 nan 8.380 nan 0.000 0.428 235 C N 0.231 119.578 119.300 0.079 0.000 2.413 235 C HA -0.055 4.405 4.460 0.000 0.000 0.277 235 C C 2.839 177.899 174.990 0.117 0.000 1.228 235 C CA 0.443 59.513 59.018 0.087 0.000 1.731 235 C CB -0.980 26.791 27.740 0.052 0.000 2.042 235 C HN 0.206 nan 8.230 nan 0.000 0.468 236 V N -0.160 119.821 119.914 0.112 0.000 2.252 236 V HA -0.305 3.815 4.120 0.000 0.000 0.249 236 V C 2.084 178.256 176.094 0.130 0.000 1.056 236 V CA 2.612 64.978 62.300 0.111 0.000 1.022 236 V CB -1.084 30.796 31.823 0.095 0.000 0.641 236 V HN 0.621 nan 8.190 nan 0.000 0.445 237 Y N 1.474 121.791 120.300 0.029 0.000 2.102 237 Y HA -0.331 4.219 4.550 0.000 0.000 0.280 237 Y C 2.372 178.295 175.900 0.038 0.000 1.178 237 Y CA 2.378 60.494 58.100 0.026 0.000 1.146 237 Y CB -0.381 38.090 38.460 0.018 0.000 0.968 237 Y HN 0.338 nan 8.280 nan 0.000 0.504 238 D N -1.123 119.387 120.400 0.183 0.000 2.144 238 D HA -0.129 4.512 4.640 0.000 0.000 0.200 238 D C 2.171 178.509 176.300 0.062 0.000 0.978 238 D CA 1.887 55.948 54.000 0.102 0.000 0.833 238 D CB -0.474 40.421 40.800 0.159 0.000 0.961 238 D HN 0.396 nan 8.370 nan 0.000 0.470 239 T N 0.803 115.418 114.554 0.102 0.000 2.777 239 T HA -0.131 4.220 4.350 0.000 0.000 0.266 239 T C 1.947 176.696 174.700 0.082 0.000 1.040 239 T CA 0.933 63.117 62.100 0.141 0.000 1.141 239 T CB -0.166 68.786 68.868 0.140 0.000 0.868 239 T HN 0.226 nan 8.240 nan 0.000 0.444 240 Q N 0.410 120.213 119.800 0.004 0.000 2.061 240 Q HA -0.064 4.276 4.340 0.000 0.000 0.204 240 Q C 2.368 178.339 176.000 -0.049 0.000 0.984 240 Q CA 1.409 57.187 55.803 -0.042 0.000 0.846 240 Q CB -0.449 28.233 28.738 -0.093 0.000 0.902 240 Q HN 0.507 nan 8.270 nan 0.000 0.421 241 I N 0.469 120.965 120.570 -0.123 0.000 2.163 241 I HA -0.318 3.852 4.170 0.000 0.000 0.243 241 I C 2.135 178.234 176.117 -0.030 0.000 1.085 241 I CA 1.227 62.461 61.300 -0.110 0.000 1.347 241 I CB -0.243 37.643 38.000 -0.189 0.000 1.044 241 I HN 0.205 nan 8.210 nan 0.000 0.408 242 L N -0.162 121.066 121.223 0.007 0.000 2.201 242 L HA -0.159 4.181 4.340 0.000 0.000 0.212 242 L C 2.534 179.457 176.870 0.089 0.000 1.105 242 L CA 1.157 55.993 54.840 -0.006 0.000 0.775 242 L CB -0.750 41.299 42.059 -0.016 0.000 0.913 242 L HN 0.248 nan 8.230 nan 0.000 0.440 243 T N -0.154 114.495 114.554 0.159 0.000 2.708 243 T HA -0.190 4.160 4.350 0.000 0.000 0.266 243 T C 2.077 176.881 174.700 0.173 0.000 1.037 243 T CA 1.366 63.581 62.100 0.192 0.000 1.146 243 T CB -0.256 68.704 68.868 0.153 0.000 0.865 243 T HN 0.452 nan 8.240 nan 0.000 0.435 244 A N 1.227 124.124 122.820 0.129 0.000 1.883 244 A HA -0.061 4.259 4.320 0.000 0.000 0.217 244 A C 2.290 179.910 177.584 0.060 0.000 1.186 244 A CA 1.393 53.504 52.037 0.122 0.000 0.624 244 A CB -0.845 18.203 19.000 0.080 0.000 0.822 244 A HN 0.543 nan 8.150 nan 0.000 0.444 245 I N -0.023 120.557 120.570 0.017 0.000 2.226 245 I HA -0.154 4.016 4.170 0.000 0.000 0.245 245 I C 1.959 178.058 176.117 -0.030 0.000 1.100 245 I CA 0.392 61.677 61.300 -0.024 0.000 1.374 245 I CB -0.696 37.265 38.000 -0.066 0.000 1.057 245 I HN 0.366 nan 8.210 nan 0.000 0.413 249 V N 1.829 121.706 119.914 -0.062 0.000 2.295 249 V HA -0.121 3.999 4.120 0.000 0.000 0.246 249 V C 2.429 178.472 176.094 -0.085 0.000 1.049 249 V CA 2.268 64.511 62.300 -0.095 0.000 1.024 249 V CB -0.725 30.996 31.823 -0.170 0.000 0.648 249 V HN 0.377 nan 8.190 nan 0.000 0.447 250 H N 0.442 119.500 119.070 -0.021 0.000 2.352 250 H HA -0.107 4.450 4.556 0.000 0.000 0.299 250 H C 2.399 177.712 175.328 -0.026 0.000 1.097 250 H CA 1.793 57.820 56.048 -0.035 0.000 1.311 250 H CB -0.568 29.167 29.762 -0.046 0.000 1.377 250 H HN 0.457 nan 8.280 nan 0.000 0.504 251 A N 0.892 123.752 122.820 0.066 0.000 1.933 251 A HA -0.116 4.204 4.320 0.000 0.000 0.218 251 A C 2.729 180.327 177.584 0.024 0.000 1.175 251 A CA 1.151 53.187 52.037 -0.002 0.000 0.628 251 A CB -0.824 18.143 19.000 -0.056 0.000 0.814 251 A HN 0.301 nan 8.150 nan 0.000 0.444 252 L N -0.714 120.528 121.223 0.033 0.000 2.156 252 L HA -0.134 4.206 4.340 0.000 0.000 0.208 252 L C 1.883 178.796 176.870 0.072 0.000 1.095 252 L CA 1.083 55.952 54.840 0.048 0.000 0.770 252 L CB -0.465 41.630 42.059 0.061 0.000 0.914 252 L HN 0.283 nan 8.230 nan 0.000 0.439 253 D N 0.238 120.687 120.400 0.083 0.000 2.144 253 D HA -0.129 4.511 4.640 0.000 0.000 0.200 253 D C 2.268 178.633 176.300 0.108 0.000 0.978 253 D CA 1.193 55.254 54.000 0.102 0.000 0.833 253 D CB -0.016 40.851 40.800 0.112 0.000 0.961 253 D HN 0.285 nan 8.370 nan 0.000 0.470 254 I N 0.684 121.321 120.570 0.112 0.000 2.226 254 I HA -0.278 3.893 4.170 0.000 0.000 0.245 254 I C 2.421 178.596 176.117 0.097 0.000 1.100 254 I CA 1.117 62.491 61.300 0.122 0.000 1.374 254 I CB -0.112 37.976 38.000 0.147 0.000 1.057 254 I HN -0.020 nan 8.210 nan 0.000 0.413 255 Q N 0.326 120.169 119.800 0.072 0.000 2.049 255 Q HA -0.132 4.208 4.340 0.000 0.000 0.198 255 Q C 2.456 178.491 176.000 0.057 0.000 0.971 255 Q CA 1.590 57.424 55.803 0.051 0.000 0.833 255 Q CB -0.244 28.508 28.738 0.023 0.000 0.896 255 Q HN 0.563 nan 8.270 nan 0.000 0.434 256 A N 0.427 123.290 122.820 0.073 0.000 2.019 256 A HA -0.117 4.203 4.320 0.000 0.000 0.219 256 A C 1.707 179.346 177.584 0.092 0.000 1.164 256 A CA 1.075 53.165 52.037 0.089 0.000 0.644 256 A CB -0.282 18.787 19.000 0.115 0.000 0.805 256 A HN 0.307 nan 8.150 nan 0.000 0.449 257 L N -0.791 120.487 121.223 0.092 0.000 2.667 257 L HA 0.162 4.502 4.340 0.000 0.000 0.232 257 L C 0.809 177.729 176.870 0.083 0.000 1.138 257 L CA -0.026 54.871 54.840 0.095 0.000 0.921 257 L CB -0.386 41.736 42.059 0.104 0.000 1.180 257 L HN 0.594 nan 8.230 nan 0.000 0.487 258 N N 1.271 120.014 118.700 0.072 0.000 2.716 258 N HA -0.155 4.585 4.740 0.000 0.000 0.250 258 N C 0.610 176.163 175.510 0.071 0.000 1.033 258 N CA 0.162 53.248 53.050 0.061 0.000 0.727 258 N CB -0.234 38.283 38.487 0.049 0.000 0.950 258 N HN 0.484 nan 8.380 nan 0.000 0.541 259 G N -0.314 108.539 108.800 0.088 0.000 2.651 259 G HA2 0.305 4.265 3.960 0.000 0.000 0.260 259 G HA3 0.305 4.265 3.960 0.000 0.000 0.260 259 G C -0.006 174.953 174.900 0.098 0.000 1.216 259 G CA 0.313 45.471 45.100 0.096 0.000 0.913 259 G HN 0.248 nan 8.290 nan 0.000 0.535 260 T N -1.456 113.152 114.554 0.089 0.000 2.943 260 T HA 0.277 4.627 4.350 0.000 0.000 0.284 260 T C 1.358 176.140 174.700 0.137 0.000 1.015 260 T CA -0.363 61.787 62.100 0.084 0.000 1.042 260 T CB 0.909 69.804 68.868 0.045 0.000 1.055 260 T HN 0.549 nan 8.240 nan 0.000 0.500 261 N N 2.039 120.836 118.700 0.162 0.000 2.412 261 N HA -0.020 4.721 4.740 0.000 0.000 0.184 261 N C 1.475 177.084 175.510 0.164 0.000 1.101 261 N CA 0.399 53.623 53.050 0.291 0.000 0.881 261 N CB -0.406 38.233 38.487 0.254 0.000 0.969 261 N HN 0.730 nan 8.380 nan 0.000 0.459 262 Q N 0.794 120.624 119.800 0.050 0.000 2.181 262 Q HA -0.101 4.240 4.340 0.000 0.000 0.205 262 Q C 1.053 177.002 176.000 -0.085 0.000 0.980 262 Q CA 1.618 57.440 55.803 0.031 0.000 0.862 262 Q CB -0.086 28.668 28.738 0.026 0.000 0.905 262 Q HN 0.421 nan 8.270 nan 0.000 0.429 263 S N 0.113 115.588 115.700 -0.374 0.000 2.420 263 S HA -0.149 4.321 4.470 0.000 0.000 0.237 263 S C 0.865 175.234 174.600 -0.385 0.000 1.023 263 S CA 1.132 58.990 58.200 -0.570 0.000 0.991 263 S CB -0.213 62.404 63.200 -0.972 0.000 0.792 263 S HN 0.416 nan 8.310 nan 0.000 0.488 264 F N 0.096 120.186 119.950 0.233 0.000 2.693 264 F HA 0.282 4.809 4.527 0.000 0.000 0.303 264 F C 1.071 177.020 175.800 0.248 0.000 1.097 264 F CA -0.956 57.177 58.000 0.222 0.000 1.330 264 F CB -0.613 38.412 39.000 0.042 0.000 1.067 264 F HN 0.188 nan 8.300 nan 0.000 0.565 265 H N 4.048 123.267 119.070 0.249 0.000 3.070 265 H HA -0.005 4.551 4.556 0.000 0.000 0.313 265 H C -1.618 173.874 175.328 0.273 0.000 0.997 265 H CA -0.987 55.185 56.048 0.207 0.000 1.438 265 H CB 1.273 31.112 29.762 0.129 0.000 1.455 265 H HN -0.013 nan 8.280 nan 0.000 0.575 266 P HA -0.187 nan 4.420 nan 0.000 0.219 266 P C 1.470 178.939 177.300 0.281 0.000 1.146 266 P CA 0.988 64.183 63.100 0.159 0.000 0.808 266 P CB -0.183 31.522 31.700 0.009 0.000 0.779 267 F N 0.156 120.339 119.950 0.388 0.000 2.134 267 F HA -0.165 4.363 4.527 0.000 0.000 0.299 267 F C 2.005 177.847 175.800 0.071 0.000 1.097 267 F CA 1.365 59.497 58.000 0.219 0.000 1.264 267 F CB -0.651 38.454 39.000 0.175 0.000 1.001 267 F HN -0.238 nan 8.300 nan 0.000 0.479 268 I N -0.126 120.513 120.570 0.115 0.000 2.099 268 I HA -0.362 3.808 4.170 0.000 0.000 0.239 268 I C 2.476 178.384 176.117 -0.348 0.000 1.066 268 I CA 1.641 62.819 61.300 -0.204 0.000 1.324 268 I CB -0.863 36.926 38.000 -0.352 0.000 1.037 268 I HN 0.194 nan 8.210 nan 0.000 0.401 269 H N 0.641 119.724 119.070 0.023 0.000 2.457 269 H HA -0.036 4.521 4.556 0.000 0.000 0.294 269 H C 1.815 177.126 175.328 -0.027 0.000 1.064 269 H CA 0.986 57.044 56.048 0.015 0.000 1.330 269 H CB -0.484 29.315 29.762 0.062 0.000 1.395 269 H HN 0.394 nan 8.280 nan 0.000 0.541 270 N N 0.846 119.558 118.700 0.020 0.000 2.289 270 N HA -0.111 4.629 4.740 0.000 0.000 0.184 270 N C 1.911 177.332 175.510 -0.148 0.000 1.016 270 N CA 1.227 54.245 53.050 -0.053 0.000 0.872 270 N CB -0.176 38.279 38.487 -0.054 0.000 0.973 270 N HN 0.405 nan 8.380 nan 0.000 0.433 271 S N -0.834 114.713 115.700 -0.254 0.000 2.558 271 S HA 0.094 4.564 4.470 0.000 0.000 0.217 271 S C 0.924 175.432 174.600 -0.152 0.000 0.975 271 S CA 0.143 58.189 58.200 -0.257 0.000 0.912 271 S CB 0.182 63.135 63.200 -0.412 0.000 0.776 271 S HN 0.116 nan 8.310 nan 0.000 0.526 272 K N 2.627 122.969 120.400 -0.097 0.000 2.877 272 K HA 0.322 4.642 4.320 0.000 0.000 0.176 272 K C -2.902 173.684 176.600 -0.025 0.000 1.075 272 K CA -1.909 54.356 56.287 -0.037 0.000 0.939 272 K CB 1.033 33.560 32.500 0.044 0.000 1.237 272 K HN 0.075 nan 8.250 nan 0.000 0.607 273 P HA 0.033 nan 4.420 nan 0.000 0.220 273 P C -0.879 176.348 177.300 -0.122 0.000 1.806 273 P CA -0.190 62.869 63.100 -0.068 0.000 0.976 273 P CB -0.203 31.454 31.700 -0.071 0.000 1.952 274 H N 1.807 120.898 119.070 0.035 0.000 2.764 274 H HA 0.069 4.625 4.556 0.000 0.000 0.341 274 H C -1.360 173.995 175.328 0.044 0.000 1.072 274 H CA -1.164 54.901 56.048 0.029 0.000 1.444 274 H CB 0.502 30.279 29.762 0.025 0.000 1.458 274 H HN 0.134 nan 8.280 nan 0.000 0.572 275 P HA -0.162 nan 4.420 nan 0.000 0.214 275 P C 1.692 179.072 177.300 0.133 0.000 1.163 275 P CA 1.633 64.792 63.100 0.099 0.000 0.889 275 P CB -0.032 31.698 31.700 0.049 0.000 0.790 276 G N -0.153 108.709 108.800 0.102 0.000 2.440 276 G HA2 -0.319 3.641 3.960 0.000 0.000 0.218 276 G HA3 -0.319 3.641 3.960 0.000 0.000 0.218 276 G C 1.697 176.717 174.900 0.200 0.000 1.154 276 G CA 0.939 46.101 45.100 0.104 0.000 0.767 276 G HN 0.370 nan 8.290 nan 0.000 0.552 277 Q N -0.247 119.655 119.800 0.169 0.000 2.123 277 Q HA 0.054 4.394 4.340 0.000 0.000 0.199 277 Q C 2.550 178.609 176.000 0.099 0.000 0.966 277 Q CA 0.604 56.498 55.803 0.151 0.000 0.845 277 Q CB -0.204 28.649 28.738 0.192 0.000 0.907 277 Q HN 0.488 nan 8.270 nan 0.000 0.439 278 L N -0.299 121.007 121.223 0.139 0.000 1.989 278 L HA -0.207 4.133 4.340 0.000 0.000 0.211 278 L C 2.315 179.232 176.870 0.079 0.000 1.071 278 L CA 1.940 56.838 54.840 0.096 0.000 0.749 278 L CB -0.644 41.484 42.059 0.115 0.000 0.890 278 L HN 0.455 nan 8.230 nan 0.000 0.431 279 W N 0.536 121.821 121.300 -0.025 0.000 2.355 279 W HA -0.256 4.405 4.660 0.000 0.000 0.309 279 W C 2.532 179.020 176.519 -0.052 0.000 1.206 279 W CA 1.910 59.236 57.345 -0.032 0.000 1.284 279 W CB -0.215 29.233 29.460 -0.020 0.000 1.145 279 W HN 0.128 nan 8.180 nan 0.000 0.502 280 A N 0.962 123.896 122.820 0.190 0.000 1.883 280 A HA -0.161 4.159 4.320 0.000 0.000 0.217 280 A C 2.105 179.535 177.584 -0.257 0.000 1.186 280 A CA 2.904 54.901 52.037 -0.067 0.000 0.624 280 A CB -1.656 17.433 19.000 0.148 0.000 0.822 280 A HN 0.507 nan 8.150 nan 0.000 0.444 281 A N -0.369 122.303 122.820 -0.247 0.000 1.902 281 A HA -0.208 4.113 4.320 0.000 0.000 0.217 281 A C 1.871 179.315 177.584 -0.234 0.000 1.181 281 A CA 2.250 54.105 52.037 -0.303 0.000 0.623 281 A CB -0.725 17.802 19.000 -0.788 0.000 0.818 281 A HN 0.567 nan 8.150 nan 0.000 0.443 282 D N -1.002 119.251 120.400 -0.246 0.000 2.149 282 D HA -0.065 4.575 4.640 0.000 0.000 0.201 282 D C 1.295 177.405 176.300 -0.317 0.000 0.972 282 D CA 0.548 54.417 54.000 -0.219 0.000 0.835 282 D CB -0.047 40.656 40.800 -0.163 0.000 0.966 282 D HN 0.381 nan 8.370 nan 0.000 0.476 286 S N 1.746 117.353 115.700 -0.155 0.000 2.356 286 S HA -0.018 4.452 4.470 0.000 0.000 0.223 286 S C 1.995 176.521 174.600 -0.124 0.000 1.032 286 S CA 1.499 59.621 58.200 -0.130 0.000 1.005 286 S CB -0.166 62.949 63.200 -0.141 0.000 0.867 286 S HN 0.292 nan 8.310 nan 0.000 0.449 287 L N 0.913 122.039 121.223 -0.162 0.000 2.083 287 L HA -0.054 4.286 4.340 0.000 0.000 0.209 287 L C 1.802 178.608 176.870 -0.105 0.000 1.083 287 L CA 1.089 55.849 54.840 -0.134 0.000 0.752 287 L CB -0.370 41.593 42.059 -0.161 0.000 0.899 287 L HN 0.285 nan 8.230 nan 0.000 0.433 288 L N -0.634 120.519 121.223 -0.117 0.000 2.592 288 L HA 0.195 4.535 4.340 0.000 0.000 0.227 288 L C 1.156 178.003 176.870 -0.038 0.000 1.127 288 L CA -0.594 54.205 54.840 -0.068 0.000 0.884 288 L CB -0.374 41.652 42.059 -0.055 0.000 1.065 288 L HN 0.080 nan 8.230 nan 0.000 0.457 289 A N 0.914 123.706 122.820 -0.046 0.000 2.522 289 A HA 0.092 4.412 4.320 0.000 0.000 0.256 289 A C 0.777 178.347 177.584 -0.023 0.000 1.086 289 A CA 0.078 52.097 52.037 -0.030 0.000 0.763 289 A CB -0.164 18.814 19.000 -0.037 0.000 1.024 289 A HN 0.589 nan 8.150 nan 0.000 0.502 290 N N 0.029 118.721 118.700 -0.014 0.000 2.829 290 N HA -0.148 4.592 4.740 0.000 0.000 0.250 290 N C 0.184 175.684 175.510 -0.016 0.000 1.090 290 N CA 1.339 54.381 53.050 -0.013 0.000 0.781 290 N CB -1.573 36.905 38.487 -0.016 0.000 1.124 290 N HN 0.848 nan 8.380 nan 0.000 0.559 291 S N 0.135 115.826 115.700 -0.014 0.000 2.564 291 S HA 0.180 4.651 4.470 0.000 0.000 0.278 291 S C 1.227 175.821 174.600 -0.010 0.000 1.333 291 S CA -0.061 58.129 58.200 -0.016 0.000 1.048 291 S CB 0.794 63.987 63.200 -0.012 0.000 0.900 291 S HN 0.129 nan 8.310 nan 0.000 0.505 292 Q N 3.571 123.360 119.800 -0.017 0.000 2.282 292 Q HA 0.235 4.575 4.340 0.000 0.000 0.206 292 Q C 0.807 176.797 176.000 -0.015 0.000 0.878 292 Q CA 0.184 55.978 55.803 -0.016 0.000 0.944 292 Q CB 0.188 28.912 28.738 -0.022 0.000 1.100 292 Q HN 0.707 nan 8.270 nan 0.000 0.509 293 L N 0.504 121.721 121.223 -0.011 0.000 2.693 293 L HA 0.151 4.491 4.340 0.000 0.000 0.235 293 L C 0.755 177.636 176.870 0.019 0.000 1.127 293 L CA -0.132 54.707 54.840 -0.003 0.000 0.914 293 L CB 0.613 42.667 42.059 -0.008 0.000 1.193 293 L HN -0.078 nan 8.230 nan 0.000 0.502 294 V N -2.036 117.894 119.914 0.026 0.000 2.997 294 V HA 0.420 4.540 4.120 0.000 0.000 0.311 294 V C 0.178 176.296 176.094 0.040 0.000 1.066 294 V CA -0.992 61.337 62.300 0.047 0.000 1.039 294 V CB 1.059 32.921 31.823 0.064 0.000 1.081 294 V HN 0.198 nan 8.190 nan 0.000 0.467 295 R N 1.286 121.816 120.500 0.050 0.000 2.202 295 R HA 0.384 4.724 4.340 0.000 0.000 0.334 295 R C -1.093 175.235 176.300 0.047 0.000 1.036 295 R CA -0.451 55.673 56.100 0.040 0.000 0.878 295 R CB 0.685 31.009 30.300 0.039 0.000 1.067 295 R HN 0.817 nan 8.270 nan 0.000 0.457 296 D N 3.074 123.496 120.400 0.036 0.000 2.411 296 D HA 0.056 4.696 4.640 0.000 0.000 0.225 296 D C -0.248 176.073 176.300 0.035 0.000 1.156 296 D CA -0.072 53.953 54.000 0.041 0.000 0.874 296 D CB 0.625 41.442 40.800 0.028 0.000 1.034 296 D HN 0.528 nan 8.370 nan 0.000 0.502 297 E N 3.076 123.306 120.200 0.049 0.000 3.105 297 E HA 0.114 4.464 4.350 0.000 0.000 0.198 297 E C 1.088 177.723 176.600 0.058 0.000 0.976 297 E CA -0.020 56.401 56.400 0.034 0.000 1.219 297 E CB 0.570 30.288 29.700 0.029 0.000 1.081 297 E HN 0.460 nan 8.360 nan 0.000 0.464 298 L N 1.481 122.759 121.223 0.092 0.000 2.622 298 L HA -0.095 4.245 4.340 0.000 0.000 0.233 298 L C 1.495 178.449 176.870 0.141 0.000 1.156 298 L CA 0.667 55.615 54.840 0.179 0.000 0.866 298 L CB -0.158 42.001 42.059 0.166 0.000 0.980 298 L HN 0.232 nan 8.230 nan 0.000 0.448 299 D N -0.950 119.474 120.400 0.040 0.000 2.349 299 D HA 0.012 4.653 4.640 0.000 0.000 0.215 299 D C 1.445 177.694 176.300 -0.084 0.000 1.016 299 D CA 0.803 54.795 54.000 -0.014 0.000 0.870 299 D CB 0.320 41.104 40.800 -0.026 0.000 0.917 299 D HN 0.168 nan 8.370 nan 0.000 0.524 300 G N 0.603 109.346 108.800 -0.095 0.000 2.159 300 G HA2 -0.271 3.689 3.960 0.000 0.000 0.227 300 G HA3 -0.271 3.689 3.960 0.000 0.000 0.227 300 G C 0.100 174.824 174.900 -0.294 0.000 0.986 300 G CA 0.018 45.023 45.100 -0.158 0.000 0.651 300 G HN 0.530 nan 8.290 nan 0.000 0.523 301 K N 1.360 121.628 120.400 -0.220 0.000 2.322 301 K HA 0.390 4.710 4.320 0.000 0.000 0.283 301 K C -0.006 176.452 176.600 -0.238 0.000 1.042 301 K CA -0.085 56.033 56.287 -0.283 0.000 0.958 301 K CB 0.006 32.421 32.500 -0.142 0.000 0.984 301 K HN 0.657 nan 8.250 nan 0.000 0.473 302 H N 1.885 120.893 119.070 -0.103 0.000 2.661 302 H HA 0.178 4.734 4.556 0.000 0.000 0.243 302 H C -1.228 173.987 175.328 -0.187 0.000 1.410 302 H CA -0.889 55.087 56.048 -0.120 0.000 1.509 302 H CB -0.068 29.625 29.762 -0.115 0.000 1.761 302 H HN 0.465 nan 8.280 nan 0.000 0.576 303 D N 1.438 121.792 120.400 -0.078 0.000 2.362 303 D HA 0.032 4.672 4.640 0.000 0.000 0.238 303 D C 0.079 176.297 176.300 -0.135 0.000 1.212 303 D CA 0.381 54.301 54.000 -0.133 0.000 0.902 303 D CB 0.691 41.462 40.800 -0.047 0.000 1.180 303 D HN 0.356 nan 8.370 nan 0.000 0.445 304 Y N 0.972 121.273 120.300 0.002 0.000 2.511 304 Y HA 0.080 4.630 4.550 0.000 0.000 0.332 304 Y C 1.435 177.303 175.900 -0.053 0.000 1.177 304 Y CA -0.054 58.026 58.100 -0.033 0.000 1.422 304 Y CB 0.489 38.908 38.460 -0.068 0.000 1.271 304 Y HN -0.046 nan 8.280 nan 0.000 0.550 305 R N 1.684 122.246 120.500 0.104 0.000 2.553 305 R HA 0.609 4.949 4.340 0.000 0.000 0.263 305 R C -0.762 175.515 176.300 -0.038 0.000 1.066 305 R CA -0.236 55.887 56.100 0.038 0.000 1.135 305 R CB 0.499 30.828 30.300 0.047 0.000 1.148 305 R HN 0.858 nan 8.270 nan 0.000 0.558 306 D N 0.251 120.631 120.400 -0.034 0.000 2.855 306 D HA 0.175 4.815 4.640 0.000 0.000 0.241 306 D C -1.137 175.191 176.300 0.046 0.000 1.277 306 D CA -0.581 53.371 54.000 -0.079 0.000 0.918 306 D CB 1.288 42.031 40.800 -0.095 0.000 1.462 306 D HN 0.484 nan 8.370 nan 0.000 0.559 307 H N 1.714 120.800 119.070 0.026 0.000 2.787 307 H HA 0.528 5.084 4.556 0.000 0.000 0.275 307 H C -0.718 174.632 175.328 0.038 0.000 1.183 307 H CA 0.447 56.511 56.048 0.026 0.000 1.290 307 H CB 0.616 30.383 29.762 0.007 0.000 1.438 307 H HN 0.721 nan 8.280 nan 0.000 0.487 308 E N 3.170 123.431 120.200 0.102 0.000 2.456 308 E HA 0.327 4.677 4.350 0.000 0.000 0.276 308 E C -0.699 175.961 176.600 0.100 0.000 0.981 308 E CA -0.920 55.544 56.400 0.108 0.000 0.814 308 E CB 2.179 31.930 29.700 0.085 0.000 1.382 308 E HN 0.404 nan 8.360 nan 0.000 0.459 309 L N 2.701 123.986 121.223 0.102 0.000 2.380 309 L HA 0.241 4.581 4.340 0.000 0.000 0.273 309 L C 1.634 178.551 176.870 0.078 0.000 1.138 309 L CA 0.168 55.064 54.840 0.093 0.000 0.832 309 L CB 0.511 42.620 42.059 0.083 0.000 1.124 309 L HN 0.710 nan 8.230 nan 0.000 0.454 310 I N 1.275 121.892 120.570 0.079 0.000 2.454 310 I HA -0.188 3.982 4.170 0.000 0.000 0.254 310 I C 0.770 176.891 176.117 0.006 0.000 1.156 310 I CA 1.224 62.551 61.300 0.045 0.000 1.433 310 I CB 0.159 38.176 38.000 0.028 0.000 1.082 310 I HN 0.698 nan 8.210 nan 0.000 0.432 311 Q N 0.631 120.439 119.800 0.014 0.000 2.301 311 Q HA 0.273 4.613 4.340 0.000 0.000 0.267 311 Q C -0.907 175.115 176.000 0.037 0.000 1.035 311 Q CA -1.088 54.719 55.803 0.007 0.000 0.856 311 Q CB 1.268 30.004 28.738 -0.002 0.000 1.337 311 Q HN 0.043 nan 8.270 nan 0.000 0.450 312 D N 1.348 121.768 120.400 0.033 0.000 2.400 312 D HA 0.048 4.689 4.640 0.000 0.000 0.238 312 D C 0.065 176.410 176.300 0.075 0.000 1.157 312 D CA 0.276 54.308 54.000 0.053 0.000 0.889 312 D CB 0.670 41.496 40.800 0.044 0.000 1.199 312 D HN 0.213 nan 8.370 nan 0.000 0.436 313 R N 0.930 121.472 120.500 0.070 0.000 2.774 313 R HA 0.001 4.341 4.340 0.000 0.000 0.269 313 R C 1.098 177.506 176.300 0.181 0.000 1.068 313 R CA -0.439 55.703 56.100 0.070 0.000 1.180 313 R CB 0.149 30.427 30.300 -0.037 0.000 1.077 313 R HN 0.459 nan 8.270 nan 0.000 0.513 314 Y N 0.871 121.141 120.300 -0.049 0.000 2.114 314 Y HA -0.294 4.256 4.550 0.000 0.000 0.282 314 Y C 2.714 178.582 175.900 -0.055 0.000 1.165 314 Y CA 1.630 59.698 58.100 -0.053 0.000 1.148 314 Y CB -1.126 37.297 38.460 -0.062 0.000 0.972 314 Y HN 0.698 nan 8.280 nan 0.000 0.504 315 S N -0.395 115.376 115.700 0.119 0.000 2.413 315 S HA -0.242 4.228 4.470 0.000 0.000 0.237 315 S C 1.817 176.518 174.600 0.170 0.000 1.044 315 S CA 1.920 60.192 58.200 0.119 0.000 1.024 315 S CB -0.891 62.383 63.200 0.124 0.000 0.829 315 S HN 0.311 nan 8.310 nan 0.000 0.475 316 L N 0.687 121.985 121.223 0.125 0.000 2.262 316 L HA 0.402 4.742 4.340 0.000 0.000 0.197 316 L C 2.792 179.723 176.870 0.102 0.000 1.073 316 L CA 1.214 56.141 54.840 0.145 0.000 0.800 316 L CB -0.691 41.449 42.059 0.135 0.000 0.987 316 L HN 0.210 nan 8.230 nan 0.000 0.470 317 R N -0.681 119.833 120.500 0.023 0.000 2.148 317 R HA -0.061 4.279 4.340 0.000 0.000 0.223 317 R C 1.044 177.291 176.300 -0.088 0.000 1.088 317 R CA 1.252 57.301 56.100 -0.085 0.000 0.985 317 R CB -0.152 30.110 30.300 -0.065 0.000 0.880 317 R HN 0.410 nan 8.270 nan 0.000 0.451 318 C N 0.675 119.935 119.300 -0.066 0.000 2.778 318 C HA 0.232 4.693 4.460 0.000 0.000 0.294 318 C C 1.887 176.881 174.990 0.006 0.000 1.331 318 C CA -0.825 58.148 59.018 -0.074 0.000 1.741 318 C CB -1.208 26.418 27.740 -0.189 0.000 2.106 318 C HN 0.573 nan 8.230 nan 0.000 0.603 319 L N 2.831 124.095 121.223 0.070 0.000 1.990 319 L HA -0.087 4.253 4.340 0.000 0.000 0.213 319 L C -0.610 176.360 176.870 0.166 0.000 1.072 319 L CA 2.394 57.303 54.840 0.115 0.000 0.755 319 L CB -1.062 41.119 42.059 0.205 0.000 0.889 319 L HN 0.149 nan 8.230 nan 0.000 0.432 320 P HA -0.150 nan 4.420 nan 0.000 0.217 320 P C 1.249 178.633 177.300 0.139 0.000 1.150 320 P CA 1.254 64.441 63.100 0.146 0.000 0.832 320 P CB 0.003 31.721 31.700 0.029 0.000 0.787 321 Q N -1.920 117.967 119.800 0.145 0.000 2.170 321 Q HA -0.175 4.166 4.340 0.000 0.000 0.203 321 Q C 2.024 178.051 176.000 0.045 0.000 0.976 321 Q CA 1.319 57.170 55.803 0.080 0.000 0.858 321 Q CB -1.120 27.645 28.738 0.045 0.000 0.907 321 Q HN 0.360 nan 8.270 nan 0.000 0.433 322 Y N -0.143 120.107 120.300 -0.082 0.000 2.314 322 Y HA 0.060 4.610 4.550 0.000 0.000 0.294 322 Y C 1.370 177.218 175.900 -0.087 0.000 1.119 322 Y CA 0.846 58.864 58.100 -0.136 0.000 1.179 322 Y CB 0.219 38.510 38.460 -0.282 0.000 1.025 322 Y HN 0.013 nan 8.280 nan 0.000 0.541 323 L N -0.561 120.772 121.223 0.183 0.000 2.418 323 L HA 0.043 4.383 4.340 0.000 0.000 0.218 323 L C 2.511 179.408 176.870 0.045 0.000 1.125 323 L CA 0.665 55.603 54.840 0.163 0.000 0.835 323 L CB -0.856 41.361 42.059 0.263 0.000 0.953 323 L HN 0.377 nan 8.230 nan 0.000 0.454 324 G N 1.568 110.379 108.800 0.017 0.000 2.545 324 G HA2 -0.217 3.744 3.960 0.000 0.000 0.217 324 G HA3 -0.217 3.744 3.960 0.000 0.000 0.217 324 G C -0.706 174.128 174.900 -0.110 0.000 1.218 324 G CA 0.759 45.853 45.100 -0.010 0.000 0.787 324 G HN 0.291 nan 8.290 nan 0.000 0.571 325 P HA -0.048 nan 4.420 nan 0.000 0.216 325 P C 1.862 178.943 177.300 -0.364 0.000 1.150 325 P CA 0.831 63.795 63.100 -0.227 0.000 0.837 325 P CB -0.071 31.504 31.700 -0.209 0.000 0.786 326 I N -1.253 119.092 120.570 -0.375 0.000 2.133 326 I HA -0.205 3.965 4.170 0.000 0.000 0.238 326 I C 2.333 178.191 176.117 -0.432 0.000 1.074 326 I CA 1.266 62.249 61.300 -0.527 0.000 1.342 326 I CB -1.126 36.727 38.000 -0.246 0.000 1.053 326 I HN -0.209 nan 8.210 nan 0.000 0.404 327 V N 1.031 120.805 119.914 -0.233 0.000 2.250 327 V HA -0.367 3.753 4.120 0.000 0.000 0.250 327 V C 2.150 178.064 176.094 -0.300 0.000 1.060 327 V CA 2.306 64.450 62.300 -0.261 0.000 1.030 327 V CB -0.701 30.997 31.823 -0.209 0.000 0.643 327 V HN 0.429 nan 8.190 nan 0.000 0.445 328 D N 0.147 120.398 120.400 -0.247 0.000 2.144 328 D HA -0.093 4.547 4.640 0.000 0.000 0.199 328 D C 2.152 178.334 176.300 -0.197 0.000 0.984 328 D CA 1.556 55.440 54.000 -0.193 0.000 0.834 328 D CB -0.549 40.178 40.800 -0.121 0.000 0.955 328 D HN 0.487 nan 8.370 nan 0.000 0.465 329 G N 0.462 109.064 108.800 -0.331 0.000 2.394 329 G HA2 -0.154 3.806 3.960 0.000 0.000 0.215 329 G HA3 -0.154 3.806 3.960 0.000 0.000 0.215 329 G C 1.807 176.616 174.900 -0.151 0.000 1.165 329 G CA 0.152 45.072 45.100 -0.301 0.000 0.784 329 G HN 0.254 nan 8.290 nan 0.000 0.535 330 I N 0.871 121.287 120.570 -0.256 0.000 2.208 330 I HA -0.199 3.972 4.170 0.000 0.000 0.245 330 I C 3.006 179.089 176.117 -0.057 0.000 1.097 330 I CA 1.296 62.552 61.300 -0.072 0.000 1.363 330 I CB -0.229 37.720 38.000 -0.086 0.000 1.051 330 I HN 0.250 nan 8.210 nan 0.000 0.413 331 S N 0.200 115.826 115.700 -0.124 0.000 2.370 331 S HA -0.312 4.158 4.470 0.000 0.000 0.226 331 S C 1.997 176.574 174.600 -0.039 0.000 1.033 331 S CA 2.029 60.167 58.200 -0.102 0.000 1.011 331 S CB -0.208 62.900 63.200 -0.153 0.000 0.852 331 S HN 0.407 nan 8.310 nan 0.000 0.457 332 Q N 1.132 120.923 119.800 -0.015 0.000 2.002 332 Q HA -0.090 4.250 4.340 0.000 0.000 0.204 332 Q C 1.904 177.950 176.000 0.076 0.000 0.988 332 Q CA 2.367 58.193 55.803 0.039 0.000 0.843 332 Q CB -0.712 28.069 28.738 0.071 0.000 0.908 332 Q HN 0.704 nan 8.270 nan 0.000 0.420 333 I N 0.455 121.095 120.570 0.116 0.000 2.118 333 I HA -0.369 3.802 4.170 0.000 0.000 0.241 333 I C 2.344 178.507 176.117 0.076 0.000 1.070 333 I CA 1.338 62.718 61.300 0.132 0.000 1.327 333 I CB -0.799 37.305 38.000 0.172 0.000 1.034 333 I HN 0.359 nan 8.210 nan 0.000 0.405 334 A N 0.512 123.361 122.820 0.049 0.000 1.927 334 A HA -0.327 3.994 4.320 0.000 0.000 0.220 334 A C 2.395 179.984 177.584 0.009 0.000 1.185 334 A CA 2.390 54.443 52.037 0.026 0.000 0.639 334 A CB -0.696 18.307 19.000 0.004 0.000 0.820 334 A HN 0.420 nan 8.150 nan 0.000 0.451 335 K N -0.817 119.583 120.400 0.000 0.000 2.057 335 K HA -0.185 4.135 4.320 0.000 0.000 0.207 335 K C 2.316 178.892 176.600 -0.041 0.000 1.049 335 K CA 1.665 57.941 56.287 -0.018 0.000 0.931 335 K CB -0.162 32.328 32.500 -0.016 0.000 0.714 335 K HN 0.696 nan 8.250 nan 0.000 0.440 336 Q N 0.096 119.881 119.800 -0.025 0.000 2.049 336 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 336 Q C 2.063 178.010 176.000 -0.089 0.000 0.971 336 Q CA 0.962 56.709 55.803 -0.094 0.000 0.833 336 Q CB 0.012 28.776 28.738 0.044 0.000 0.896 336 Q HN 0.248 nan 8.270 nan 0.000 0.434 337 I N 1.622 122.186 120.570 -0.009 0.000 2.163 337 I HA -0.264 3.906 4.170 0.000 0.000 0.243 337 I C 2.058 178.163 176.117 -0.021 0.000 1.085 337 I CA 1.624 62.924 61.300 0.001 0.000 1.347 337 I CB -1.179 36.840 38.000 0.031 0.000 1.044 337 I HN 0.308 nan 8.210 nan 0.000 0.408 338 E N 0.415 120.602 120.200 -0.022 0.000 2.160 338 E HA -0.216 4.135 4.350 0.000 0.000 0.195 338 E C 2.356 178.925 176.600 -0.052 0.000 0.991 338 E CA 1.135 57.518 56.400 -0.028 0.000 0.810 338 E CB -0.126 29.562 29.700 -0.019 0.000 0.742 338 E HN 0.483 nan 8.360 nan 0.000 0.466 339 I N 0.726 121.244 120.570 -0.086 0.000 2.252 339 I HA -0.229 3.941 4.170 0.000 0.000 0.245 339 I C 2.518 178.571 176.117 -0.107 0.000 1.102 339 I CA 0.990 62.221 61.300 -0.114 0.000 1.385 339 I CB 0.003 37.894 38.000 -0.181 0.000 1.064 339 I HN 0.012 nan 8.210 nan 0.000 0.414 340 E N 1.390 121.525 120.200 -0.107 0.000 2.106 340 E HA -0.186 4.164 4.350 0.000 0.000 0.192 340 E C 2.080 178.658 176.600 -0.036 0.000 0.984 340 E CA 1.277 57.637 56.400 -0.067 0.000 0.806 340 E CB -0.219 29.461 29.700 -0.033 0.000 0.750 340 E HN 0.403 nan 8.360 nan 0.000 0.458 341 I N 0.965 121.516 120.570 -0.031 0.000 2.248 341 I HA -0.293 3.878 4.170 0.000 0.000 0.248 341 I C 1.263 177.361 176.117 -0.031 0.000 1.107 341 I CA 1.198 62.482 61.300 -0.026 0.000 1.373 341 I CB -0.193 37.795 38.000 -0.021 0.000 1.055 341 I HN 0.156 nan 8.210 nan 0.000 0.418 342 N N -0.014 118.664 118.700 -0.036 0.000 2.251 342 N HA 0.140 4.880 4.740 0.000 0.000 0.217 342 N C -0.097 175.394 175.510 -0.032 0.000 1.124 342 N CA 0.119 53.150 53.050 -0.033 0.000 0.843 342 N CB 0.733 39.202 38.487 -0.031 0.000 1.024 342 N HN 0.108 nan 8.380 nan 0.000 0.501 343 S N 0.135 115.814 115.700 -0.034 0.000 2.654 343 S HA 0.405 4.875 4.470 0.000 0.000 0.283 343 S C 0.351 174.943 174.600 -0.013 0.000 1.180 343 S CA -0.570 57.613 58.200 -0.028 0.000 1.021 343 S CB 2.406 65.584 63.200 -0.038 0.000 1.018 343 S HN -0.157 nan 8.310 nan 0.000 0.532 344 V N 2.968 122.884 119.914 0.002 0.000 2.408 344 V HA 0.305 4.426 4.120 0.000 0.000 0.267 344 V C 0.539 176.656 176.094 0.038 0.000 1.047 344 V CA -0.418 61.897 62.300 0.025 0.000 0.937 344 V CB 0.295 32.144 31.823 0.043 0.000 0.999 344 V HN 1.012 nan 8.190 nan 0.000 0.472 345 T N 0.957 115.539 114.554 0.047 0.000 3.253 345 T HA 0.613 4.963 4.350 0.000 0.000 0.391 345 T C -0.609 174.172 174.700 0.135 0.000 1.527 345 T CA -0.758 61.391 62.100 0.081 0.000 1.268 345 T CB 0.329 69.237 68.868 0.068 0.000 1.126 345 T HN 0.767 nan 8.240 nan 0.000 0.620 346 D N 1.579 122.084 120.400 0.175 0.000 2.921 346 D HA 0.538 5.178 4.640 0.000 0.000 0.329 346 D C -1.201 175.274 176.300 0.293 0.000 1.293 346 D CA -0.762 53.382 54.000 0.240 0.000 0.964 346 D CB 1.057 41.975 40.800 0.196 0.000 1.435 346 D HN 0.417 nan 8.370 nan 0.000 0.548 347 N N -1.251 117.640 118.700 0.318 0.000 2.516 347 N HA 0.422 5.162 4.740 0.000 0.000 0.268 347 N C -3.188 172.532 175.510 0.351 0.000 1.096 347 N CA -0.900 52.368 53.050 0.364 0.000 0.954 347 N CB 2.298 41.095 38.487 0.516 0.000 1.676 347 N HN 0.028 nan 8.380 nan 0.000 0.490 348 P HA 0.224 nan 4.420 nan 0.000 0.272 348 P C -0.668 176.759 177.300 0.212 0.000 1.230 348 P CA -0.187 63.119 63.100 0.343 0.000 0.788 348 P CB 0.632 32.571 31.700 0.398 0.000 0.949 349 L N 2.656 123.984 121.223 0.174 0.000 2.275 349 L HA 0.356 4.696 4.340 0.000 0.000 0.288 349 L C 0.038 176.893 176.870 -0.024 0.000 1.046 349 L CA -0.872 54.035 54.840 0.111 0.000 0.805 349 L CB 0.676 42.837 42.059 0.170 0.000 1.193 349 L HN 0.179 nan 8.230 nan 0.000 0.426 350 I N 2.627 123.156 120.570 -0.070 0.000 2.337 350 I HA 0.118 4.288 4.170 0.000 0.000 0.291 350 I C 0.053 176.031 176.117 -0.232 0.000 1.046 350 I CA -0.138 61.011 61.300 -0.251 0.000 1.324 350 I CB 0.891 38.767 38.000 -0.207 0.000 1.409 350 I HN 0.496 nan 8.210 nan 0.000 0.494 351 D N 6.510 126.699 120.400 -0.351 0.000 2.473 351 D HA 0.215 4.855 4.640 0.000 0.000 0.226 351 D C 1.074 177.224 176.300 -0.250 0.000 1.089 351 D CA -0.503 53.390 54.000 -0.179 0.000 0.883 351 D CB 1.137 41.939 40.800 0.003 0.000 1.029 351 D HN 0.323 nan 8.370 nan 0.000 0.517 352 V N 1.212 121.019 119.914 -0.179 0.000 2.626 352 V HA -0.087 4.033 4.120 0.000 0.000 0.252 352 V C 1.498 177.555 176.094 -0.062 0.000 1.067 352 V CA 1.089 63.306 62.300 -0.138 0.000 1.081 352 V CB -0.387 31.401 31.823 -0.058 0.000 0.686 352 V HN 0.258 nan 8.190 nan 0.000 0.468 353 D N 1.566 121.944 120.400 -0.037 0.000 2.149 353 D HA -0.112 4.528 4.640 0.000 0.000 0.198 353 D C 1.690 177.989 176.300 -0.002 0.000 0.990 353 D CA 1.580 55.575 54.000 -0.008 0.000 0.839 353 D CB -0.304 40.499 40.800 0.004 0.000 0.948 353 D HN 0.546 nan 8.370 nan 0.000 0.460 354 N N 0.627 119.321 118.700 -0.011 0.000 2.214 354 N HA -0.011 4.729 4.740 0.000 0.000 0.214 354 N C -0.338 175.158 175.510 -0.022 0.000 1.132 354 N CA 0.027 53.079 53.050 0.004 0.000 0.856 354 N CB 0.700 39.216 38.487 0.049 0.000 1.020 354 N HN 0.084 nan 8.380 nan 0.000 0.509 355 Q N -0.069 119.694 119.800 -0.061 0.000 2.431 355 Q HA -0.192 4.148 4.340 0.000 0.000 0.344 355 Q C -0.628 175.333 176.000 -0.065 0.000 1.384 355 Q CA 0.568 56.355 55.803 -0.026 0.000 0.984 355 Q CB -1.647 27.184 28.738 0.154 0.000 1.204 355 Q HN 0.481 nan 8.270 nan 0.000 0.392 356 A N 0.318 122.910 122.820 -0.381 0.000 2.475 356 A HA 0.761 5.081 4.320 0.000 0.000 0.301 356 A C -0.058 177.062 177.584 -0.774 0.000 1.059 356 A CA -0.008 51.767 52.037 -0.438 0.000 0.710 356 A CB 1.679 20.451 19.000 -0.380 0.000 1.288 356 A HN 0.393 nan 8.150 nan 0.000 0.408 357 S N 0.516 115.876 115.700 -0.565 0.000 2.509 357 S HA 0.775 5.245 4.470 0.000 0.000 0.297 357 S C -1.029 173.209 174.600 -0.605 0.000 1.118 357 S CA -0.458 57.419 58.200 -0.537 0.000 1.074 357 S CB 0.580 63.692 63.200 -0.147 0.000 1.038 357 S HN 0.505 nan 8.310 nan 0.000 0.498 358 Y N 0.366 120.636 120.300 -0.049 0.000 2.360 358 Y HA 0.379 4.929 4.550 0.000 0.000 0.337 358 Y C 0.667 176.615 175.900 0.079 0.000 1.039 358 Y CA -0.987 57.090 58.100 -0.038 0.000 1.109 358 Y CB 1.148 39.602 38.460 -0.009 0.000 1.201 358 Y HN 0.721 nan 8.280 nan 0.000 0.458 359 H N 1.559 120.759 119.070 0.218 0.000 2.620 359 H HA 0.555 5.111 4.556 0.000 0.000 0.313 359 H C 0.265 175.676 175.328 0.138 0.000 1.075 359 H CA -0.421 55.727 56.048 0.167 0.000 1.397 359 H CB 1.029 30.862 29.762 0.118 0.000 1.446 359 H HN 0.939 nan 8.280 nan 0.000 0.493 360 G N 0.806 109.761 108.800 0.258 0.000 2.782 360 G HA2 0.411 4.372 3.960 0.000 0.000 0.304 360 G HA3 0.411 4.372 3.960 0.000 0.000 0.304 360 G C -0.046 174.880 174.900 0.044 0.000 1.315 360 G CA -0.322 44.851 45.100 0.121 0.000 0.791 360 G HN 0.601 nan 8.290 nan 0.000 0.519 361 G N -0.444 108.230 108.800 -0.209 0.000 3.993 361 G HA2 0.213 4.173 3.960 0.000 0.000 0.294 361 G HA3 0.213 4.173 3.960 0.000 0.000 0.294 361 G C 0.570 174.909 174.900 -0.934 0.000 1.043 361 G CA -0.046 44.579 45.100 -0.790 0.000 0.839 361 G HN 0.318 nan 8.290 nan 0.000 0.516 362 N N 1.148 119.587 118.700 -0.436 0.000 2.430 362 N HA -0.108 4.632 4.740 0.000 0.000 0.186 362 N C 1.684 177.083 175.510 -0.186 0.000 1.032 362 N CA 0.658 53.571 53.050 -0.228 0.000 0.893 362 N CB -0.314 38.146 38.487 -0.045 0.000 0.957 362 N HN 0.637 nan 8.380 nan 0.000 0.442 363 F N -0.648 119.323 119.950 0.035 0.000 2.604 363 F HA 0.162 4.689 4.527 0.000 0.000 0.298 363 F C 0.725 176.535 175.800 0.016 0.000 1.131 363 F CA -0.515 57.503 58.000 0.029 0.000 1.457 363 F CB -0.705 38.317 39.000 0.036 0.000 1.095 363 F HN -0.151 nan 8.300 nan 0.000 0.574 364 L N 2.454 123.547 121.223 -0.218 0.000 2.385 364 L HA 0.450 4.790 4.340 0.000 0.000 0.281 364 L C 0.979 177.835 176.870 -0.024 0.000 1.106 364 L CA -0.423 54.373 54.840 -0.074 0.000 0.856 364 L CB 0.523 42.456 42.059 -0.210 0.000 1.186 364 L HN 0.231 nan 8.230 nan 0.000 0.453 365 G N 3.344 112.166 108.800 0.036 0.000 3.581 365 G HA2 0.051 4.011 3.960 0.000 0.000 0.255 365 G HA3 0.051 4.011 3.960 0.000 0.000 0.255 365 G C 0.710 175.626 174.900 0.027 0.000 1.121 365 G CA -0.188 44.944 45.100 0.054 0.000 1.739 365 G HN 0.768 nan 8.290 nan 0.000 0.646 366 Q N 0.286 120.075 119.800 -0.018 0.000 2.084 366 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 366 Q C 1.661 177.571 176.000 -0.149 0.000 0.978 366 Q CA 1.602 57.333 55.803 -0.121 0.000 0.844 366 Q CB -0.328 28.284 28.738 -0.209 0.000 0.898 366 Q HN 0.678 nan 8.270 nan 0.000 0.426 367 Y N -1.052 119.212 120.300 -0.060 0.000 2.193 367 Y HA -0.234 4.316 4.550 0.000 0.000 0.285 367 Y C 2.167 178.039 175.900 -0.047 0.000 1.166 367 Y CA 1.324 59.394 58.100 -0.049 0.000 1.181 367 Y CB -0.222 38.220 38.460 -0.030 0.000 0.976 367 Y HN 0.003 nan 8.280 nan 0.000 0.520 368 V N -0.720 119.261 119.914 0.111 0.000 2.379 368 V HA -0.112 4.008 4.120 0.000 0.000 0.245 368 V C 1.803 177.901 176.094 0.005 0.000 1.044 368 V CA 1.079 63.416 62.300 0.061 0.000 1.036 368 V CB -1.323 30.539 31.823 0.065 0.000 0.664 368 V HN 0.402 nan 8.190 nan 0.000 0.453 374 H N 1.089 120.050 119.070 -0.182 0.000 2.321 374 H HA 0.021 4.577 4.556 0.000 0.000 0.300 374 H C 2.152 177.180 175.328 -0.500 0.000 1.087 374 H CA 1.128 56.947 56.048 -0.382 0.000 1.319 374 H CB -0.476 29.160 29.762 -0.209 0.000 1.379 374 H HN 0.101 nan 8.280 nan 0.000 0.501 375 L N 0.906 122.129 121.223 -0.001 0.000 2.013 375 L HA -0.208 4.132 4.340 0.000 0.000 0.212 375 L C 2.547 179.431 176.870 0.024 0.000 1.073 375 L CA 1.642 56.539 54.840 0.096 0.000 0.753 375 L CB -0.251 41.880 42.059 0.120 0.000 0.890 375 L HN 0.076 nan 8.230 nan 0.000 0.432 376 R N -1.914 118.587 120.500 0.001 0.000 2.083 376 R HA -0.254 4.086 4.340 0.000 0.000 0.237 376 R C 2.293 178.592 176.300 -0.001 0.000 1.137 376 R CA 2.007 58.110 56.100 0.005 0.000 0.951 376 R CB -0.957 29.364 30.300 0.034 0.000 0.851 376 R HN 0.446 nan 8.270 nan 0.000 0.434 377 Y N 0.906 121.097 120.300 -0.182 0.000 2.081 377 Y HA -0.347 4.204 4.550 0.000 0.000 0.280 377 Y C 1.960 177.763 175.900 -0.162 0.000 1.163 377 Y CA 1.631 59.604 58.100 -0.212 0.000 1.135 377 Y CB -0.595 37.679 38.460 -0.309 0.000 0.970 377 Y HN 0.026 nan 8.280 nan 0.000 0.498 378 Y N -0.121 120.124 120.300 -0.092 0.000 2.181 378 Y HA -0.236 4.315 4.550 0.000 0.000 0.288 378 Y C 2.568 178.326 175.900 -0.238 0.000 1.146 378 Y CA 1.354 59.322 58.100 -0.220 0.000 1.164 378 Y CB -1.155 37.254 38.460 -0.086 0.000 0.982 378 Y HN 0.174 nan 8.280 nan 0.000 0.515 379 I N -0.406 120.106 120.570 -0.095 0.000 2.208 379 I HA -0.260 3.910 4.170 0.000 0.000 0.245 379 I C 2.647 178.501 176.117 -0.438 0.000 1.097 379 I CA 1.571 62.627 61.300 -0.407 0.000 1.363 379 I CB -0.889 36.852 38.000 -0.432 0.000 1.051 379 I HN 0.281 nan 8.210 nan 0.000 0.413 380 G N 0.619 109.272 108.800 -0.245 0.000 2.448 380 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 380 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 380 G C 1.704 176.516 174.900 -0.146 0.000 1.127 380 G CA 0.511 45.506 45.100 -0.175 0.000 0.766 380 G HN 0.281 nan 8.290 nan 0.000 0.552 381 L N -0.428 120.701 121.223 -0.156 0.000 2.162 381 L HA 0.204 4.544 4.340 0.000 0.000 0.205 381 L C 2.796 179.769 176.870 0.170 0.000 1.086 381 L CA 0.146 54.958 54.840 -0.047 0.000 0.778 381 L CB -0.186 41.734 42.059 -0.232 0.000 0.928 381 L HN 0.155 nan 8.230 nan 0.000 0.446 382 L N -0.453 120.828 121.223 0.097 0.000 2.042 382 L HA -0.237 4.103 4.340 0.000 0.000 0.210 382 L C 2.814 179.806 176.870 0.205 0.000 1.076 382 L CA 1.345 56.324 54.840 0.232 0.000 0.749 382 L CB -0.699 41.456 42.059 0.160 0.000 0.893 382 L HN 0.268 nan 8.230 nan 0.000 0.432 383 A N -0.060 122.739 122.820 -0.035 0.000 1.873 383 A HA -0.244 4.076 4.320 0.000 0.000 0.215 383 A C 2.367 179.882 177.584 -0.114 0.000 1.186 383 A CA 1.869 53.796 52.037 -0.184 0.000 0.616 383 A CB -0.422 18.308 19.000 -0.451 0.000 0.823 383 A HN 0.298 nan 8.150 nan 0.000 0.442 384 K N -1.010 119.380 120.400 -0.016 0.000 2.097 384 K HA -0.234 4.087 4.320 0.000 0.000 0.206 384 K C 2.020 178.699 176.600 0.131 0.000 1.049 384 K CA 1.702 58.020 56.287 0.052 0.000 0.933 384 K CB -0.376 32.169 32.500 0.075 0.000 0.717 384 K HN 0.792 nan 8.250 nan 0.000 0.442 385 H N 0.125 119.221 119.070 0.044 0.000 2.321 385 H HA -0.108 4.448 4.556 0.000 0.000 0.300 385 H C 2.059 177.468 175.328 0.135 0.000 1.087 385 H CA 1.609 57.632 56.048 -0.041 0.000 1.319 385 H CB 0.054 29.710 29.762 -0.176 0.000 1.379 385 H HN 0.147 nan 8.280 nan 0.000 0.501 386 L N 0.363 121.676 121.223 0.150 0.000 2.079 386 L HA -0.207 4.133 4.340 0.000 0.000 0.210 386 L C 2.269 179.238 176.870 0.165 0.000 1.081 386 L CA 1.642 56.554 54.840 0.121 0.000 0.752 386 L CB -0.332 41.894 42.059 0.279 0.000 0.896 386 L HN 0.337 nan 8.230 nan 0.000 0.433 387 D N -0.761 119.774 120.400 0.225 0.000 2.149 387 D HA -0.120 4.520 4.640 0.000 0.000 0.201 387 D C 2.209 178.544 176.300 0.059 0.000 0.972 387 D CA 0.594 54.709 54.000 0.192 0.000 0.835 387 D CB 0.211 41.129 40.800 0.196 0.000 0.966 387 D HN -0.032 nan 8.370 nan 0.000 0.476 388 V N 0.770 120.721 119.914 0.062 0.000 2.392 388 V HA -0.227 3.893 4.120 0.000 0.000 0.249 388 V C 2.333 178.434 176.094 0.012 0.000 1.059 388 V CA 1.401 63.718 62.300 0.029 0.000 1.051 388 V CB -0.366 31.483 31.823 0.044 0.000 0.658 388 V HN 0.312 nan 8.190 nan 0.000 0.455 389 Q N -0.687 119.127 119.800 0.023 0.000 2.083 389 Q HA -0.051 4.290 4.340 0.000 0.000 0.198 389 Q C 2.286 178.262 176.000 -0.041 0.000 0.969 389 Q CA 1.472 57.286 55.803 0.018 0.000 0.838 389 Q CB -0.231 28.536 28.738 0.049 0.000 0.900 389 Q HN 0.571 nan 8.270 nan 0.000 0.436 390 I N 1.076 121.569 120.570 -0.128 0.000 2.163 390 I HA -0.290 3.880 4.170 0.000 0.000 0.243 390 I C 2.431 178.400 176.117 -0.248 0.000 1.085 390 I CA 1.070 62.154 61.300 -0.360 0.000 1.347 390 I CB -0.511 37.120 38.000 -0.615 0.000 1.044 390 I HN 0.080 nan 8.210 nan 0.000 0.408 391 A N 1.089 123.838 122.820 -0.118 0.000 1.917 391 A HA -0.214 4.106 4.320 0.000 0.000 0.219 391 A C 2.310 179.927 177.584 0.054 0.000 1.182 391 A CA 1.648 53.670 52.037 -0.024 0.000 0.633 391 A CB -0.902 18.101 19.000 0.005 0.000 0.819 391 A HN 0.408 nan 8.150 nan 0.000 0.448 392 L N -0.925 120.328 121.223 0.050 0.000 2.017 392 L HA -0.191 4.150 4.340 0.000 0.000 0.208 392 L C 2.631 179.580 176.870 0.131 0.000 1.073 392 L CA 1.312 56.228 54.840 0.127 0.000 0.745 392 L CB -0.681 41.430 42.059 0.087 0.000 0.894 392 L HN 0.389 nan 8.230 nan 0.000 0.432 393 L N -0.178 121.090 121.223 0.075 0.000 2.046 393 L HA -0.188 4.152 4.340 0.000 0.000 0.208 393 L C 2.770 179.718 176.870 0.130 0.000 1.077 393 L CA 1.288 56.192 54.840 0.107 0.000 0.747 393 L CB -0.741 41.388 42.059 0.118 0.000 0.896 393 L HN 0.236 nan 8.230 nan 0.000 0.432 394 A N -1.423 121.453 122.820 0.094 0.000 2.067 394 A HA 0.017 4.337 4.320 0.000 0.000 0.217 394 A C 1.276 178.921 177.584 0.102 0.000 1.156 394 A CA 0.514 52.630 52.037 0.131 0.000 0.683 394 A CB -0.140 18.921 19.000 0.101 0.000 0.808 394 A HN 0.301 nan 8.150 nan 0.000 0.455 395 S N 0.619 116.380 115.700 0.101 0.000 2.422 395 S HA 0.431 4.901 4.470 0.000 0.000 0.308 395 S C -2.148 172.464 174.600 0.020 0.000 1.097 395 S CA -1.036 57.204 58.200 0.067 0.000 1.099 395 S CB 1.485 64.770 63.200 0.142 0.000 0.976 395 S HN 0.188 nan 8.310 nan 0.000 0.471 396 P HA 0.041 nan 4.420 nan 0.000 0.233 396 P C 0.603 177.828 177.300 -0.125 0.000 1.167 396 P CA 0.504 63.582 63.100 -0.036 0.000 0.770 396 P CB 0.238 31.924 31.700 -0.023 0.000 0.837 397 E N -1.053 118.968 120.200 -0.298 0.000 2.153 397 E HA -0.095 4.255 4.350 0.000 0.000 0.194 397 E C 0.758 177.007 176.600 -0.585 0.000 0.988 397 E CA 1.289 57.343 56.400 -0.578 0.000 0.811 397 E CB -0.527 28.560 29.700 -1.022 0.000 0.746 397 E HN 0.338 nan 8.360 nan 0.000 0.466 398 F N -1.346 118.622 119.950 0.030 0.000 2.767 398 F HA 0.198 4.726 4.527 0.000 0.000 0.323 398 F C 1.718 177.542 175.800 0.040 0.000 1.091 398 F CA 0.070 58.089 58.000 0.031 0.000 1.192 398 F CB 0.028 39.042 39.000 0.023 0.000 1.056 398 F HN -0.084 nan 8.300 nan 0.000 0.571 399 S N -0.301 115.496 115.700 0.161 0.000 2.607 399 S HA -0.059 4.411 4.470 0.000 0.000 0.224 399 S C 0.922 175.588 174.600 0.110 0.000 0.969 399 S CA 0.555 58.835 58.200 0.133 0.000 0.927 399 S CB -0.778 62.487 63.200 0.109 0.000 0.772 399 S HN 0.417 nan 8.310 nan 0.000 0.533 400 N N 0.923 119.683 118.700 0.099 0.000 2.727 400 N HA -0.153 4.587 4.740 0.000 0.000 0.251 400 N C 0.750 176.301 175.510 0.067 0.000 1.040 400 N CA 1.241 54.340 53.050 0.081 0.000 0.712 400 N CB -1.626 36.913 38.487 0.087 0.000 0.912 400 N HN 1.151 nan 8.380 nan 0.000 0.545 401 G N -1.768 107.068 108.800 0.059 0.000 2.175 401 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 401 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 401 G C 0.240 175.183 174.900 0.072 0.000 0.982 401 G CA 0.206 45.340 45.100 0.056 0.000 0.641 401 G HN 0.519 nan 8.290 nan 0.000 0.527 402 L N 1.670 122.944 121.223 0.085 0.000 2.473 402 L HA 0.374 4.714 4.340 0.000 0.000 0.268 402 L C -1.365 175.559 176.870 0.089 0.000 1.215 402 L CA -1.776 53.126 54.840 0.103 0.000 0.823 402 L CB 0.020 42.150 42.059 0.120 0.000 1.099 402 L HN -0.025 nan 8.230 nan 0.000 0.483 403 P HA 0.157 nan 4.420 nan 0.000 0.272 403 P C -2.548 174.789 177.300 0.062 0.000 1.230 403 P CA -1.464 61.677 63.100 0.069 0.000 0.788 403 P CB -0.361 31.379 31.700 0.066 0.000 0.949 404 P HA -0.035 nan 4.420 nan 0.000 0.268 404 P C -0.066 177.266 177.300 0.053 0.000 1.204 404 P CA 0.515 63.639 63.100 0.039 0.000 0.768 404 P CB 0.065 31.774 31.700 0.016 0.000 0.842 405 S N 1.211 116.964 115.700 0.089 0.000 3.402 405 S HA -0.213 4.258 4.470 0.000 0.000 0.329 405 S C 0.755 175.432 174.600 0.129 0.000 1.194 405 S CA 0.900 59.181 58.200 0.134 0.000 0.951 405 S CB -2.004 61.250 63.200 0.090 0.000 0.975 405 S HN 0.675 nan 8.310 nan 0.000 0.574 406 L N -2.598 118.700 121.223 0.126 0.000 3.634 406 L HA -0.213 4.127 4.340 0.000 0.000 0.423 406 L C 0.305 177.197 176.870 0.037 0.000 1.253 406 L CA 0.200 55.107 54.840 0.113 0.000 0.885 406 L CB -1.230 40.927 42.059 0.163 0.000 1.789 406 L HN 0.516 nan 8.230 nan 0.000 0.904 407 L N 0.011 121.240 121.223 0.010 0.000 2.426 407 L HA 0.529 4.869 4.340 0.000 0.000 0.271 407 L C 1.361 178.189 176.870 -0.071 0.000 1.169 407 L CA 1.301 56.106 54.840 -0.058 0.000 0.836 407 L CB 1.456 43.472 42.059 -0.072 0.000 1.112 407 L HN 0.100 nan 8.230 nan 0.000 0.465 408 G N 2.720 111.424 108.800 -0.160 0.000 2.670 408 G HA2 -0.109 3.851 3.960 0.000 0.000 0.219 408 G HA3 -0.109 3.851 3.960 0.000 0.000 0.219 408 G C 0.172 174.705 174.900 -0.612 0.000 1.342 408 G CA -0.069 44.916 45.100 -0.191 0.000 0.902 408 G HN 0.644 nan 8.290 nan 0.000 0.553 409 N N 0.623 118.608 118.700 -1.192 0.000 2.421 409 N HA 0.098 4.838 4.740 0.000 0.000 0.260 409 N C 1.375 176.501 175.510 -0.638 0.000 1.173 409 N CA -0.129 52.026 53.050 -1.492 0.000 0.960 409 N CB 0.972 38.381 38.487 -1.797 0.000 1.273 409 N HN 0.058 nan 8.380 nan 0.000 0.497 410 R N 2.621 122.881 120.500 -0.399 0.000 2.148 410 R HA -0.053 4.287 4.340 0.000 0.000 0.223 410 R C 1.983 178.196 176.300 -0.145 0.000 1.088 410 R CA 1.953 57.938 56.100 -0.190 0.000 0.985 410 R CB -1.012 29.239 30.300 -0.082 0.000 0.880 410 R HN 0.772 nan 8.270 nan 0.000 0.451 411 E N 0.762 120.874 120.200 -0.147 0.000 2.153 411 E HA -0.030 4.320 4.350 0.000 0.000 0.194 411 E C 1.502 178.041 176.600 -0.101 0.000 0.988 411 E CA 1.245 57.597 56.400 -0.080 0.000 0.811 411 E CB -0.427 29.258 29.700 -0.025 0.000 0.746 411 E HN 0.566 nan 8.360 nan 0.000 0.466 412 R N 0.874 121.273 120.500 -0.169 0.000 2.220 412 R HA 0.099 4.439 4.340 0.000 0.000 0.340 412 R C 0.578 176.799 176.300 -0.132 0.000 1.076 412 R CA -0.390 55.622 56.100 -0.147 0.000 0.920 412 R CB 0.389 30.576 30.300 -0.187 0.000 1.062 412 R HN 0.023 nan 8.270 nan 0.000 0.469 413 K N 2.495 122.842 120.400 -0.089 0.000 2.280 413 K HA -0.079 4.241 4.320 0.000 0.000 0.202 413 K C 1.661 178.217 176.600 -0.073 0.000 1.047 413 K CA 1.228 57.471 56.287 -0.073 0.000 0.942 413 K CB 0.018 32.488 32.500 -0.050 0.000 0.739 413 K HN 0.571 nan 8.250 nan 0.000 0.457 414 V N -0.733 119.135 119.914 -0.078 0.000 3.217 414 V HA -0.024 4.096 4.120 0.000 0.000 0.264 414 V C 0.887 176.931 176.094 -0.085 0.000 1.135 414 V CA 0.066 62.324 62.300 -0.071 0.000 1.142 414 V CB -0.563 31.222 31.823 -0.062 0.000 0.754 414 V HN 0.053 nan 8.190 nan 0.000 0.484 418 L N 1.567 122.736 121.223 -0.091 0.000 2.783 418 L HA 0.318 4.658 4.340 0.000 0.000 0.236 418 L C 2.116 179.011 176.870 0.041 0.000 1.225 418 L CA 0.069 54.821 54.840 -0.147 0.000 1.026 418 L CB 0.361 42.136 42.059 -0.473 0.000 1.314 418 L HN 0.526 nan 8.230 nan 0.000 0.489 419 K N 1.401 121.827 120.400 0.043 0.000 2.057 419 K HA -0.115 4.206 4.320 0.000 0.000 0.207 419 K C 1.975 178.620 176.600 0.075 0.000 1.049 419 K CA 1.541 57.876 56.287 0.079 0.000 0.931 419 K CB 0.011 32.534 32.500 0.037 0.000 0.714 419 K HN 0.382 nan 8.250 nan 0.000 0.440 420 G N 1.133 109.950 108.800 0.029 0.000 2.403 420 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 420 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 420 G C 1.378 176.308 174.900 0.050 0.000 1.154 420 G CA 0.468 45.584 45.100 0.026 0.000 0.784 420 G HN 0.276 nan 8.290 nan 0.000 0.538 421 L N 0.461 121.706 121.223 0.037 0.000 2.083 421 L HA -0.043 4.297 4.340 0.000 0.000 0.209 421 L C 2.831 179.865 176.870 0.274 0.000 1.083 421 L CA 2.456 57.336 54.840 0.067 0.000 0.752 421 L CB -0.479 41.510 42.059 -0.117 0.000 0.899 421 L HN 0.415 nan 8.230 nan 0.000 0.433 422 Q N -0.405 119.638 119.800 0.406 0.000 2.050 422 Q HA -0.218 4.123 4.340 0.000 0.000 0.202 422 Q C 2.269 178.366 176.000 0.162 0.000 0.980 422 Q CA 2.276 58.264 55.803 0.308 0.000 0.840 422 Q CB -0.263 28.607 28.738 0.219 0.000 0.898 422 Q HN 0.646 nan 8.270 nan 0.000 0.424 423 I N 0.483 121.130 120.570 0.128 0.000 2.194 423 I HA -0.371 3.799 4.170 0.000 0.000 0.246 423 I C 2.767 178.943 176.117 0.099 0.000 1.093 423 I CA 1.049 62.405 61.300 0.093 0.000 1.355 423 I CB -0.538 37.502 38.000 0.066 0.000 1.046 423 I HN 0.502 nan 8.210 nan 0.000 0.413 424 C N 1.336 120.698 119.300 0.104 0.000 2.446 424 C HA -0.069 4.391 4.460 0.000 0.000 0.277 424 C C 3.014 178.089 174.990 0.142 0.000 1.275 424 C CA 1.172 60.251 59.018 0.102 0.000 1.727 424 C CB -1.596 26.192 27.740 0.080 0.000 2.010 424 C HN 0.636 nan 8.230 nan 0.000 0.486 425 G N -0.035 108.862 108.800 0.161 0.000 2.432 425 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 425 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 425 G C 1.423 176.498 174.900 0.292 0.000 1.135 425 G CA 1.078 46.315 45.100 0.228 0.000 0.767 425 G HN 0.790 nan 8.290 nan 0.000 0.550 426 N N 0.141 118.949 118.700 0.180 0.000 2.494 426 N HA -0.020 4.720 4.740 0.000 0.000 0.182 426 N C 2.113 177.696 175.510 0.121 0.000 1.076 426 N CA 0.859 53.993 53.050 0.140 0.000 0.908 426 N CB 0.135 38.678 38.487 0.094 0.000 0.967 426 N HN 0.447 nan 8.380 nan 0.000 0.449 427 S N -0.560 115.217 115.700 0.128 0.000 2.511 427 S HA 0.227 4.697 4.470 0.000 0.000 0.214 427 S C 0.647 175.317 174.600 0.116 0.000 0.997 427 S CA -0.300 57.958 58.200 0.097 0.000 0.908 427 S CB 0.268 63.515 63.200 0.078 0.000 0.803 427 S HN 0.052 nan 8.310 nan 0.000 0.504 431 L N 0.117 121.389 121.223 0.082 0.000 2.141 431 L HA 0.073 4.413 4.340 0.000 0.000 0.209 431 L C 1.931 178.956 176.870 0.259 0.000 1.094 431 L CA 1.557 56.465 54.840 0.113 0.000 0.763 431 L CB -0.541 41.584 42.059 0.110 0.000 0.908 431 L HN 0.036 nan 8.230 nan 0.000 0.437 432 L N -0.899 120.439 121.223 0.192 0.000 2.046 432 L HA -0.218 4.122 4.340 0.000 0.000 0.208 432 L C 2.607 179.559 176.870 0.137 0.000 1.077 432 L CA 1.896 56.839 54.840 0.171 0.000 0.747 432 L CB -0.978 41.083 42.059 0.004 0.000 0.896 432 L HN 0.524 nan 8.230 nan 0.000 0.432 433 T N -2.665 111.940 114.554 0.085 0.000 2.788 433 T HA -0.268 4.082 4.350 0.000 0.000 0.268 433 T C 1.755 176.517 174.700 0.104 0.000 1.044 433 T CA 1.108 63.249 62.100 0.069 0.000 1.139 433 T CB -0.741 68.155 68.868 0.046 0.000 0.867 433 T HN 0.278 nan 8.240 nan 0.000 0.454 434 F N 1.499 121.434 119.950 -0.025 0.000 2.095 434 F HA -0.101 4.426 4.527 0.000 0.000 0.298 434 F C 1.944 177.679 175.800 -0.108 0.000 1.104 434 F CA 1.171 59.112 58.000 -0.099 0.000 1.232 434 F CB -0.589 38.291 39.000 -0.200 0.000 0.987 434 F HN 0.103 nan 8.300 nan 0.000 0.475 435 Y N 0.541 120.913 120.300 0.119 0.000 2.569 435 Y HA 0.013 4.563 4.550 0.000 0.000 0.293 435 Y C 2.510 178.369 175.900 -0.068 0.000 1.144 435 Y CA 0.920 59.019 58.100 -0.001 0.000 1.321 435 Y CB -1.119 37.404 38.460 0.106 0.000 0.982 435 Y HN 0.180 nan 8.280 nan 0.000 0.558 436 G N -0.652 108.190 108.800 0.069 0.000 2.650 436 G HA2 -0.130 3.830 3.960 0.000 0.000 0.214 436 G HA3 -0.130 3.830 3.960 0.000 0.000 0.214 436 G C 0.763 175.683 174.900 0.033 0.000 1.136 436 G CA -0.186 44.958 45.100 0.074 0.000 0.789 436 G HN 0.164 nan 8.290 nan 0.000 0.536 437 N N 1.008 119.654 118.700 -0.091 0.000 2.305 437 N HA 0.063 4.803 4.740 0.000 0.000 0.232 437 N C 0.671 176.116 175.510 -0.108 0.000 1.274 437 N CA 0.621 53.583 53.050 -0.147 0.000 0.870 437 N CB 0.878 39.180 38.487 -0.307 0.000 1.105 437 N HN 0.333 nan 8.380 nan 0.000 0.436 438 S N -0.061 115.574 115.700 -0.109 0.000 2.687 438 S HA 0.520 4.991 4.470 0.000 0.000 0.283 438 S C 0.792 175.352 174.600 -0.066 0.000 1.170 438 S CA -0.761 57.387 58.200 -0.087 0.000 1.008 438 S CB 1.622 64.762 63.200 -0.100 0.000 1.026 438 S HN 0.646 nan 8.310 nan 0.000 0.541 439 I N -0.385 120.161 120.570 -0.040 0.000 4.592 439 I HA 0.272 4.442 4.170 0.000 0.000 0.329 439 I C 1.996 178.126 176.117 0.022 0.000 1.309 439 I CA 0.187 61.482 61.300 -0.008 0.000 1.243 439 I CB -0.181 37.827 38.000 0.013 0.000 1.241 439 I HN 0.819 nan 8.210 nan 0.000 0.434 440 A N 1.370 124.192 122.820 0.005 0.000 1.902 440 A HA -0.250 4.070 4.320 0.000 0.000 0.217 440 A C 1.836 179.506 177.584 0.145 0.000 1.181 440 A CA 2.086 54.145 52.037 0.036 0.000 0.623 440 A CB -0.659 18.314 19.000 -0.045 0.000 0.818 440 A HN 0.671 nan 8.150 nan 0.000 0.443 441 D N -0.518 119.928 120.400 0.076 0.000 2.350 441 D HA -0.133 4.508 4.640 0.000 0.000 0.216 441 D C 1.294 177.597 176.300 0.004 0.000 0.968 441 D CA 0.620 54.666 54.000 0.075 0.000 0.894 441 D CB -0.409 40.389 40.800 -0.004 0.000 0.909 441 D HN 0.489 nan 8.370 nan 0.000 0.520 442 R N 0.342 120.855 120.500 0.022 0.000 2.480 442 R HA 0.175 4.515 4.340 0.000 0.000 0.277 442 R C 0.049 176.339 176.300 -0.016 0.000 1.008 442 R CA -0.546 55.530 56.100 -0.040 0.000 1.090 442 R CB -0.331 29.954 30.300 -0.024 0.000 1.234 442 R HN 0.209 nan 8.270 nan 0.000 0.549 443 F N 1.350 121.280 119.950 -0.033 0.000 2.602 443 F HA 0.260 4.787 4.527 0.000 0.000 0.367 443 F C -2.070 173.696 175.800 -0.056 0.000 1.126 443 F CA -2.882 55.092 58.000 -0.044 0.000 1.321 443 F CB -0.251 38.723 39.000 -0.043 0.000 1.094 443 F HN -0.129 nan 8.300 nan 0.000 0.594 444 P HA 0.138 nan 4.420 nan 0.000 0.282 444 P C 0.353 177.563 177.300 -0.150 0.000 1.262 444 P CA -0.401 62.594 63.100 -0.174 0.000 0.773 444 P CB 1.351 32.823 31.700 -0.379 0.000 0.879 445 T N -1.908 112.587 114.554 -0.098 0.000 3.081 445 T HA -0.076 4.274 4.350 0.000 0.000 0.255 445 T C 1.198 175.916 174.700 0.031 0.000 1.113 445 T CA 0.605 62.743 62.100 0.063 0.000 1.082 445 T CB -0.758 68.165 68.868 0.092 0.000 0.939 445 T HN 0.573 nan 8.240 nan 0.000 0.506 446 H N 0.411 119.442 119.070 -0.065 0.000 2.517 446 H HA 0.641 5.198 4.556 0.000 0.000 0.282 446 H C 0.631 175.650 175.328 -0.514 0.000 1.023 446 H CA -0.342 55.432 56.048 -0.457 0.000 1.169 446 H CB -0.667 28.797 29.762 -0.496 0.000 1.454 446 H HN 0.421 nan 8.280 nan 0.000 0.556 447 A N 2.016 124.512 122.820 -0.539 0.000 2.540 447 A HA -0.012 4.309 4.320 0.000 0.000 0.239 447 A C 0.811 178.284 177.584 -0.186 0.000 1.061 447 A CA 0.283 52.119 52.037 -0.334 0.000 0.758 447 A CB -0.059 18.818 19.000 -0.205 0.000 0.991 447 A HN 0.618 nan 8.150 nan 0.000 0.502 448 E N 1.750 121.878 120.200 -0.120 0.000 2.332 448 E HA -0.250 4.100 4.350 0.000 0.000 0.162 448 E C -0.119 176.470 176.600 -0.018 0.000 1.637 448 E CA 1.137 57.512 56.400 -0.042 0.000 0.654 448 E CB -1.254 28.446 29.700 -0.000 0.000 1.072 448 E HN 0.931 nan 8.360 nan 0.000 0.336 449 Q N -0.009 119.767 119.800 -0.040 0.000 2.480 449 Q HA -0.270 4.070 4.340 0.000 0.000 0.265 449 Q C 0.024 176.186 176.000 0.271 0.000 1.072 449 Q CA 1.017 56.882 55.803 0.104 0.000 1.018 449 Q CB -1.809 27.008 28.738 0.132 0.000 1.433 449 Q HN 0.728 nan 8.270 nan 0.000 0.513 450 F N -3.785 116.205 119.950 0.067 0.000 2.840 450 F HA -0.331 4.196 4.527 0.000 0.000 0.310 450 F C 1.277 177.106 175.800 0.049 0.000 0.688 450 F CA 1.086 59.126 58.000 0.066 0.000 1.286 450 F CB -1.940 37.100 39.000 0.067 0.000 1.612 450 F HN 0.336 nan 8.300 nan 0.000 0.335 451 N N 0.940 119.731 118.700 0.153 0.000 2.251 451 N HA -0.062 4.678 4.740 0.000 0.000 0.181 451 N C 0.905 176.462 175.510 0.078 0.000 1.019 451 N CA 1.462 54.574 53.050 0.104 0.000 0.862 451 N CB -0.001 38.531 38.487 0.075 0.000 0.992 451 N HN 0.499 nan 8.380 nan 0.000 0.429 452 Q N 0.761 120.592 119.800 0.052 0.000 3.122 452 Q HA 0.087 4.427 4.340 0.000 0.000 0.360 452 Q C 0.140 176.167 176.000 0.045 0.000 1.300 452 Q CA -0.318 55.508 55.803 0.039 0.000 0.982 452 Q CB -0.168 28.577 28.738 0.011 0.000 1.534 452 Q HN 0.508 nan 8.270 nan 0.000 0.474 453 N N 0.873 119.626 118.700 0.088 0.000 2.396 453 N HA -0.098 4.642 4.740 0.000 0.000 0.180 453 N C 0.802 176.430 175.510 0.197 0.000 1.028 453 N CA 0.583 53.721 53.050 0.146 0.000 0.893 453 N CB -0.082 38.507 38.487 0.171 0.000 0.967 453 N HN 0.484 nan 8.380 nan 0.000 0.440 454 I N -1.691 118.902 120.570 0.038 0.000 2.525 454 I HA 0.569 4.739 4.170 0.000 0.000 0.301 454 I C -1.020 174.922 176.117 -0.291 0.000 0.992 454 I CA -1.097 60.051 61.300 -0.253 0.000 1.162 454 I CB 1.798 39.603 38.000 -0.326 0.000 1.332 454 I HN 0.079 nan 8.210 nan 0.000 0.458 455 N N 1.740 120.103 118.700 -0.562 0.000 3.039 455 N HA 0.399 5.139 4.740 0.000 0.000 0.257 455 N C -0.270 175.030 175.510 -0.350 0.000 1.497 455 N CA -0.312 52.572 53.050 -0.276 0.000 0.861 455 N CB 1.528 39.969 38.487 -0.077 0.000 1.479 455 N HN 0.592 nan 8.380 nan 0.000 0.547 456 S N -2.444 113.172 115.700 -0.141 0.000 2.505 456 S HA 0.037 4.507 4.470 0.000 0.000 0.216 456 S C 0.255 174.842 174.600 -0.021 0.000 1.018 456 S CA -0.063 58.071 58.200 -0.110 0.000 0.911 456 S CB -0.287 62.872 63.200 -0.068 0.000 0.818 456 S HN 0.510 nan 8.310 nan 0.000 0.497 457 Q N 0.216 120.034 119.800 0.031 0.000 2.450 457 Q HA -0.176 4.165 4.340 0.000 0.000 0.255 457 Q C 1.036 177.085 176.000 0.082 0.000 1.003 457 Q CA 0.923 56.771 55.803 0.075 0.000 1.097 457 Q CB -2.267 26.520 28.738 0.082 0.000 1.544 457 Q HN 0.767 nan 8.270 nan 0.000 0.531 458 G N -1.002 107.845 108.800 0.079 0.000 2.471 458 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 458 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 458 G C 0.952 175.922 174.900 0.116 0.000 1.125 458 G CA 0.799 45.943 45.100 0.074 0.000 0.775 458 G HN 0.502 nan 8.290 nan 0.000 0.548 459 Y N 2.243 122.566 120.300 0.039 0.000 2.206 459 Y HA -0.107 4.443 4.550 0.000 0.000 0.292 459 Y C 3.142 179.081 175.900 0.064 0.000 1.123 459 Y CA 2.183 60.313 58.100 0.049 0.000 1.142 459 Y CB -0.286 38.209 38.460 0.058 0.000 1.006 459 Y HN 0.232 nan 8.280 nan 0.000 0.518 460 T N -3.095 111.576 114.554 0.194 0.000 2.867 460 T HA -0.151 4.199 4.350 0.000 0.000 0.268 460 T C 2.165 176.892 174.700 0.044 0.000 1.057 460 T CA 1.255 63.429 62.100 0.122 0.000 1.136 460 T CB -0.815 68.168 68.868 0.192 0.000 0.874 460 T HN 0.271 nan 8.240 nan 0.000 0.466 461 S N 1.227 116.952 115.700 0.041 0.000 2.368 461 S HA 0.029 4.499 4.470 0.000 0.000 0.225 461 S C 2.395 176.983 174.600 -0.020 0.000 1.030 461 S CA 1.204 59.411 58.200 0.012 0.000 0.999 461 S CB -0.785 62.418 63.200 0.005 0.000 0.844 461 S HN 0.749 nan 8.310 nan 0.000 0.459 462 A N -0.063 122.727 122.820 -0.050 0.000 1.898 462 A HA 0.026 4.346 4.320 0.000 0.000 0.214 462 A C 2.282 179.796 177.584 -0.116 0.000 1.183 462 A CA 1.833 53.825 52.037 -0.074 0.000 0.622 462 A CB -1.425 17.528 19.000 -0.078 0.000 0.824 462 A HN 0.492 nan 8.150 nan 0.000 0.444 463 T N 0.578 115.019 114.554 -0.188 0.000 2.649 463 T HA -0.198 4.152 4.350 0.000 0.000 0.268 463 T C 1.757 176.403 174.700 -0.090 0.000 1.036 463 T CA 1.865 63.861 62.100 -0.173 0.000 1.157 463 T CB -0.430 68.317 68.868 -0.202 0.000 0.861 463 T HN 0.371 nan 8.240 nan 0.000 0.445 464 L N 0.168 121.364 121.223 -0.045 0.000 2.093 464 L HA -0.032 4.308 4.340 0.000 0.000 0.208 464 L C 2.938 179.753 176.870 -0.091 0.000 1.085 464 L CA 1.065 55.886 54.840 -0.033 0.000 0.755 464 L CB -0.538 41.555 42.059 0.057 0.000 0.904 464 L HN 0.244 nan 8.230 nan 0.000 0.435 465 A N 0.106 122.893 122.820 -0.055 0.000 1.902 465 A HA -0.264 4.057 4.320 0.000 0.000 0.217 465 A C 2.298 179.850 177.584 -0.053 0.000 1.181 465 A CA 1.786 53.797 52.037 -0.043 0.000 0.623 465 A CB -0.474 18.518 19.000 -0.013 0.000 0.818 465 A HN 0.290 nan 8.150 nan 0.000 0.443 466 R N 0.294 120.755 120.500 -0.065 0.000 2.091 466 R HA -0.166 4.174 4.340 0.000 0.000 0.238 466 R C 2.150 178.401 176.300 -0.082 0.000 1.136 466 R CA 2.189 58.254 56.100 -0.058 0.000 0.959 466 R CB -0.626 29.630 30.300 -0.073 0.000 0.856 466 R HN 0.469 nan 8.270 nan 0.000 0.437 467 R N -0.253 120.156 120.500 -0.151 0.000 2.075 467 R HA 0.018 4.359 4.340 0.000 0.000 0.232 467 R C 2.303 178.455 176.300 -0.246 0.000 1.126 467 R CA 1.997 57.960 56.100 -0.228 0.000 0.963 467 R CB -0.966 29.119 30.300 -0.359 0.000 0.858 467 R HN 0.284 nan 8.270 nan 0.000 0.435 468 S N -0.732 114.814 115.700 -0.257 0.000 2.356 468 S HA -0.092 4.378 4.470 0.000 0.000 0.223 468 S C 1.893 176.514 174.600 0.035 0.000 1.032 468 S CA 1.458 59.586 58.200 -0.120 0.000 1.005 468 S CB -0.389 62.769 63.200 -0.069 0.000 0.867 468 S HN 0.203 nan 8.310 nan 0.000 0.449 469 V N 2.382 122.329 119.914 0.055 0.000 2.255 469 V HA -0.188 3.932 4.120 0.000 0.000 0.247 469 V C 2.309 178.492 176.094 0.148 0.000 1.051 469 V CA 2.370 64.759 62.300 0.149 0.000 1.018 469 V CB -0.908 30.982 31.823 0.111 0.000 0.641 469 V HN 0.481 nan 8.190 nan 0.000 0.445 470 D N -0.160 120.281 120.400 0.069 0.000 2.158 470 D HA -0.158 4.482 4.640 0.000 0.000 0.197 470 D C 1.969 178.324 176.300 0.092 0.000 0.995 470 D CA 1.467 55.502 54.000 0.058 0.000 0.846 470 D CB -0.234 40.575 40.800 0.015 0.000 0.941 470 D HN 0.440 nan 8.370 nan 0.000 0.456 471 I N -0.246 120.389 120.570 0.109 0.000 2.500 471 I HA -0.191 3.979 4.170 0.000 0.000 0.252 471 I C 2.044 178.325 176.117 0.274 0.000 1.142 471 I CA 0.274 61.671 61.300 0.161 0.000 1.451 471 I CB -0.064 38.024 38.000 0.146 0.000 1.093 471 I HN -0.112 nan 8.210 nan 0.000 0.430 472 F N 1.889 121.898 119.950 0.098 0.000 2.216 472 F HA -0.206 4.322 4.527 0.001 0.000 0.300 472 F C 2.474 178.363 175.800 0.149 0.000 1.085 472 F CA 1.580 59.661 58.000 0.135 0.000 1.326 472 F CB -0.520 38.534 39.000 0.091 0.000 1.027 472 F HN 0.086 nan 8.300 nan 0.000 0.497 473 Q N -0.107 119.741 119.800 0.079 0.000 2.084 473 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 473 Q C 2.017 178.008 176.000 -0.015 0.000 0.978 473 Q CA 1.845 57.625 55.803 -0.038 0.000 0.844 473 Q CB -0.358 28.384 28.738 0.007 0.000 0.898 473 Q HN 0.570 nan 8.270 nan 0.000 0.426 474 N N -0.537 118.199 118.700 0.060 0.000 2.084 474 N HA -0.219 4.522 4.740 0.000 0.000 0.190 474 N C 1.652 177.206 175.510 0.074 0.000 1.030 474 N CA 1.093 54.183 53.050 0.068 0.000 0.849 474 N CB -0.179 38.368 38.487 0.100 0.000 1.012 474 N HN 0.222 nan 8.380 nan 0.000 0.423 475 Y N 1.898 122.236 120.300 0.062 0.000 2.128 475 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 475 Y C 2.202 178.106 175.900 0.006 0.000 1.154 475 Y CA 1.180 59.334 58.100 0.090 0.000 1.149 475 Y CB -0.414 38.180 38.460 0.223 0.000 0.976 475 Y HN -0.183 nan 8.280 nan 0.000 0.505 476 V N 0.429 120.304 119.914 -0.065 0.000 2.407 476 V HA -0.327 3.793 4.120 0.000 0.000 0.248 476 V C 2.641 178.635 176.094 -0.167 0.000 1.055 476 V CA 1.624 63.809 62.300 -0.191 0.000 1.049 476 V CB -1.496 30.105 31.823 -0.370 0.000 0.662 476 V HN 0.595 nan 8.190 nan 0.000 0.455 477 A N -0.047 122.700 122.820 -0.123 0.000 1.940 477 A HA -0.196 4.124 4.320 0.000 0.000 0.219 477 A C 2.176 179.716 177.584 -0.074 0.000 1.176 477 A CA 1.968 53.956 52.037 -0.081 0.000 0.631 477 A CB -0.477 18.498 19.000 -0.042 0.000 0.814 477 A HN 0.518 nan 8.150 nan 0.000 0.446 478 I N -0.535 119.962 120.570 -0.121 0.000 2.163 478 I HA -0.246 3.925 4.170 0.000 0.000 0.240 478 I C 3.034 179.144 176.117 -0.011 0.000 1.081 478 I CA 0.990 62.242 61.300 -0.080 0.000 1.353 478 I CB -0.613 37.300 38.000 -0.146 0.000 1.054 478 I HN 0.366 nan 8.210 nan 0.000 0.407 479 A N 1.213 123.919 122.820 -0.191 0.000 1.927 479 A HA -0.167 4.153 4.320 0.000 0.000 0.220 479 A C 1.608 179.203 177.584 0.017 0.000 1.185 479 A CA 1.286 53.270 52.037 -0.088 0.000 0.639 479 A CB -0.969 17.933 19.000 -0.164 0.000 0.820 479 A HN 0.293 nan 8.150 nan 0.000 0.451 483 G N 0.442 109.384 108.800 0.236 0.000 2.404 483 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 483 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 483 G C 1.557 176.563 174.900 0.177 0.000 1.174 483 G CA 1.500 46.700 45.100 0.166 0.000 0.780 483 G HN 0.172 nan 8.290 nan 0.000 0.537 484 V N 0.823 120.824 119.914 0.145 0.000 2.287 484 V HA -0.255 3.866 4.120 0.000 0.000 0.248 484 V C 2.801 179.061 176.094 0.277 0.000 1.053 484 V CA 2.438 64.845 62.300 0.178 0.000 1.027 484 V CB -0.521 31.196 31.823 -0.177 0.000 0.646 484 V HN 0.480 nan 8.190 nan 0.000 0.447 485 Q N 0.659 120.635 119.800 0.294 0.000 2.061 485 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 485 Q C 2.114 178.273 176.000 0.265 0.000 0.984 485 Q CA 2.518 58.515 55.803 0.324 0.000 0.846 485 Q CB -0.661 28.217 28.738 0.234 0.000 0.902 485 Q HN 0.575 nan 8.270 nan 0.000 0.421 486 A N -0.005 122.957 122.820 0.237 0.000 1.902 486 A HA -0.127 4.194 4.320 0.000 0.000 0.217 486 A C 2.235 179.929 177.584 0.183 0.000 1.181 486 A CA 1.957 54.121 52.037 0.211 0.000 0.623 486 A CB -1.195 17.931 19.000 0.210 0.000 0.818 486 A HN 0.577 nan 8.150 nan 0.000 0.443 487 V N -1.944 118.073 119.914 0.173 0.000 2.626 487 V HA -0.174 3.946 4.120 0.000 0.000 0.252 487 V C 1.688 177.859 176.094 0.128 0.000 1.067 487 V CA 2.389 64.755 62.300 0.110 0.000 1.081 487 V CB -0.896 30.949 31.823 0.038 0.000 0.686 487 V HN 0.352 nan 8.190 nan 0.000 0.468 488 D N 1.096 121.638 120.400 0.238 0.000 2.117 488 D HA -0.080 4.560 4.640 0.000 0.000 0.197 488 D C 2.105 178.599 176.300 0.325 0.000 0.987 488 D CA 1.902 56.090 54.000 0.314 0.000 0.829 488 D CB -0.299 40.752 40.800 0.418 0.000 0.961 488 D HN 0.495 nan 8.370 nan 0.000 0.460 489 L N -0.058 121.347 121.223 0.303 0.000 2.156 489 L HA -0.025 4.315 4.340 0.000 0.000 0.208 489 L C 2.402 179.392 176.870 0.201 0.000 1.095 489 L CA 0.486 55.503 54.840 0.295 0.000 0.770 489 L CB -0.233 41.980 42.059 0.255 0.000 0.914 489 L HN -0.054 nan 8.230 nan 0.000 0.439 490 R N 0.680 121.262 120.500 0.137 0.000 2.062 490 R HA -0.089 4.251 4.340 0.000 0.000 0.229 490 R C 2.191 178.495 176.300 0.006 0.000 1.128 490 R CA 2.072 58.215 56.100 0.072 0.000 0.960 490 R CB -1.017 29.320 30.300 0.061 0.000 0.855 490 R HN 0.122 nan 8.270 nan 0.000 0.432 491 T N 0.319 114.864 114.554 -0.015 0.000 2.737 491 T HA -0.206 4.144 4.350 0.000 0.000 0.269 491 T C 1.359 175.922 174.700 -0.228 0.000 1.040 491 T CA 1.706 63.730 62.100 -0.127 0.000 1.142 491 T CB -0.545 68.250 68.868 -0.122 0.000 0.861 491 T HN 0.345 nan 8.240 nan 0.000 0.456 492 Y N 1.757 121.883 120.300 -0.290 0.000 2.242 492 Y HA -0.046 4.504 4.550 0.000 0.000 0.291 492 Y C 2.357 178.105 175.900 -0.254 0.000 1.137 492 Y CA 1.251 59.089 58.100 -0.436 0.000 1.181 492 Y CB -0.170 37.906 38.460 -0.641 0.000 0.989 492 Y HN -0.024 nan 8.280 nan 0.000 0.527 493 K N 0.763 121.090 120.400 -0.121 0.000 2.026 493 K HA -0.198 4.122 4.320 0.000 0.000 0.208 493 K C 2.303 178.787 176.600 -0.194 0.000 1.048 493 K CA 1.890 58.106 56.287 -0.119 0.000 0.929 493 K CB -0.284 32.212 32.500 -0.007 0.000 0.713 493 K HN 0.255 nan 8.250 nan 0.000 0.439 494 K N -0.910 119.385 120.400 -0.175 0.000 2.007 494 K HA -0.089 4.231 4.320 0.000 0.000 0.206 494 K C 1.549 178.023 176.600 -0.210 0.000 1.047 494 K CA 1.856 58.048 56.287 -0.158 0.000 0.937 494 K CB -0.004 32.422 32.500 -0.123 0.000 0.718 494 K HN 0.412 nan 8.250 nan 0.000 0.438 495 T N -4.628 109.739 114.554 -0.311 0.000 2.975 495 T HA 0.245 4.596 4.350 0.000 0.000 0.257 495 T C 1.093 175.593 174.700 -0.332 0.000 1.003 495 T CA 0.518 62.438 62.100 -0.299 0.000 0.932 495 T CB 0.884 69.516 68.868 -0.394 0.000 1.087 495 T HN 0.370 nan 8.240 nan 0.000 0.512 496 G N 1.978 110.445 108.800 -0.556 0.000 2.143 496 G HA2 -0.179 3.781 3.960 0.000 0.000 0.249 496 G HA3 -0.179 3.781 3.960 0.000 0.000 0.249 496 G C -0.067 174.650 174.900 -0.304 0.000 0.981 496 G CA 0.622 45.325 45.100 -0.662 0.000 0.665 496 G HN 1.207 nan 8.290 nan 0.000 0.528 497 H N -3.872 115.083 119.070 -0.192 0.000 2.931 497 H HA 0.731 5.287 4.556 0.000 0.000 0.331 497 H C 0.239 175.524 175.328 -0.073 0.000 1.273 497 H CA -1.434 54.601 56.048 -0.022 0.000 1.171 497 H CB 0.567 30.347 29.762 0.030 0.000 1.898 497 H HN -0.012 nan 8.280 nan 0.000 0.562 498 Y N -1.462 119.077 120.300 0.397 0.000 2.481 498 Y HA 0.174 4.724 4.550 0.000 0.000 0.247 498 Y C 0.219 176.286 175.900 0.278 0.000 1.151 498 Y CA -0.409 57.847 58.100 0.261 0.000 1.238 498 Y CB 0.858 39.408 38.460 0.151 0.000 1.179 498 Y HN 0.600 nan 8.280 nan 0.000 0.524 499 D N 1.093 121.825 120.400 0.553 0.000 2.374 499 D HA 0.220 4.861 4.640 0.000 0.000 0.240 499 D C 0.936 177.376 176.300 0.233 0.000 1.229 499 D CA 0.145 54.360 54.000 0.358 0.000 0.895 499 D CB 1.225 42.154 40.800 0.216 0.000 1.046 499 D HN 0.307 nan 8.370 nan 0.000 0.498 500 A N 4.705 127.549 122.820 0.039 0.000 2.206 500 A HA -0.057 4.263 4.320 0.000 0.000 0.211 500 A C 2.099 179.519 177.584 -0.272 0.000 1.158 500 A CA 0.431 52.339 52.037 -0.216 0.000 0.761 500 A CB -0.049 18.652 19.000 -0.499 0.000 0.801 500 A HN 0.539 nan 8.150 nan 0.000 0.473 501 R N -0.178 120.231 120.500 -0.151 0.000 2.082 501 R HA -0.156 4.184 4.340 0.000 0.000 0.234 501 R C 2.503 178.770 176.300 -0.055 0.000 1.136 501 R CA 1.522 57.566 56.100 -0.093 0.000 0.935 501 R CB -0.513 29.817 30.300 0.049 0.000 0.842 501 R HN 0.475 nan 8.270 nan 0.000 0.430 502 A N 0.436 123.254 122.820 -0.004 0.000 1.940 502 A HA -0.177 4.143 4.320 0.000 0.000 0.219 502 A C 2.154 179.729 177.584 -0.015 0.000 1.176 502 A CA 2.013 54.051 52.037 0.003 0.000 0.631 502 A CB -0.378 18.643 19.000 0.035 0.000 0.814 502 A HN 0.293 nan 8.150 nan 0.000 0.446 503 S N -0.788 114.893 115.700 -0.032 0.000 2.446 503 S HA 0.206 4.676 4.470 0.000 0.000 0.225 503 S C 0.696 175.257 174.600 -0.066 0.000 1.016 503 S CA -0.060 58.111 58.200 -0.048 0.000 0.943 503 S CB -0.301 62.861 63.200 -0.063 0.000 0.786 503 S HN 0.449 nan 8.310 nan 0.000 0.508 504 L N 2.629 123.790 121.223 -0.102 0.000 2.452 504 L HA 0.196 4.536 4.340 0.000 0.000 0.267 504 L C 0.667 177.500 176.870 -0.063 0.000 1.188 504 L CA -0.672 54.108 54.840 -0.100 0.000 0.821 504 L CB 0.227 42.189 42.059 -0.163 0.000 1.102 504 L HN 0.146 nan 8.230 nan 0.000 0.470 505 S N 1.331 117.002 115.700 -0.048 0.000 2.560 505 S HA 0.070 4.540 4.470 0.000 0.000 0.284 505 S C -1.773 172.805 174.600 -0.036 0.000 1.327 505 S CA -1.111 57.067 58.200 -0.038 0.000 1.055 505 S CB 0.412 63.590 63.200 -0.038 0.000 0.868 505 S HN 0.446 nan 8.310 nan 0.000 0.506 506 P HA -0.280 nan 4.420 nan 0.000 0.219 506 P C 1.550 178.837 177.300 -0.021 0.000 1.158 506 P CA 2.366 65.453 63.100 -0.022 0.000 0.895 506 P CB -0.276 31.412 31.700 -0.021 0.000 0.792 507 A N -0.941 121.862 122.820 -0.029 0.000 1.930 507 A HA -0.144 4.176 4.320 0.000 0.000 0.217 507 A C 2.147 179.718 177.584 -0.020 0.000 1.175 507 A CA 2.424 54.444 52.037 -0.030 0.000 0.627 507 A CB -1.742 17.230 19.000 -0.047 0.000 0.815 507 A HN 0.391 nan 8.150 nan 0.000 0.443 508 T N -3.204 111.337 114.554 -0.021 0.000 3.100 508 T HA 0.046 4.396 4.350 0.000 0.000 0.253 508 T C 1.543 176.259 174.700 0.028 0.000 1.118 508 T CA 0.878 62.977 62.100 -0.001 0.000 1.058 508 T CB 0.117 68.979 68.868 -0.009 0.000 0.953 508 T HN 0.414 nan 8.240 nan 0.000 0.515 509 E N 2.330 122.534 120.200 0.007 0.000 2.047 509 E HA -0.162 4.189 4.350 0.000 0.000 0.191 509 E C 2.251 178.910 176.600 0.098 0.000 0.987 509 E CA 0.921 57.342 56.400 0.035 0.000 0.799 509 E CB -0.160 29.540 29.700 -0.000 0.000 0.752 509 E HN 0.593 nan 8.360 nan 0.000 0.449 510 R N 0.276 120.803 120.500 0.045 0.000 2.112 510 R HA -0.206 4.134 4.340 0.000 0.000 0.242 510 R C 2.645 178.966 176.300 0.036 0.000 1.137 510 R CA 1.738 57.856 56.100 0.030 0.000 0.944 510 R CB -0.808 29.494 30.300 0.004 0.000 0.857 510 R HN 0.182 nan 8.270 nan 0.000 0.435 511 L N 0.315 121.560 121.223 0.038 0.000 2.017 511 L HA -0.203 4.137 4.340 0.000 0.000 0.208 511 L C 2.316 179.211 176.870 0.041 0.000 1.073 511 L CA 1.629 56.483 54.840 0.024 0.000 0.745 511 L CB -0.795 41.273 42.059 0.015 0.000 0.894 511 L HN 0.148 nan 8.230 nan 0.000 0.432 512 Y N -0.131 120.140 120.300 -0.049 0.000 2.081 512 Y HA -0.329 4.221 4.550 0.000 0.000 0.280 512 Y C 2.593 178.454 175.900 -0.065 0.000 1.163 512 Y CA 2.321 60.386 58.100 -0.059 0.000 1.135 512 Y CB -0.570 37.870 38.460 -0.034 0.000 0.970 512 Y HN 0.263 nan 8.280 nan 0.000 0.498 513 S N 0.227 115.966 115.700 0.066 0.000 2.402 513 S HA -0.136 4.335 4.470 0.000 0.000 0.229 513 S C 2.194 176.749 174.600 -0.075 0.000 1.021 513 S CA 0.848 59.026 58.200 -0.037 0.000 0.974 513 S CB -0.699 62.541 63.200 0.067 0.000 0.800 513 S HN 0.657 nan 8.310 nan 0.000 0.484 514 A N 0.931 123.721 122.820 -0.049 0.000 1.969 514 A HA -0.016 4.304 4.320 0.000 0.000 0.218 514 A C 2.245 179.799 177.584 -0.051 0.000 1.169 514 A CA 1.245 53.262 52.037 -0.033 0.000 0.635 514 A CB -0.629 18.352 19.000 -0.031 0.000 0.810 514 A HN 0.360 nan 8.150 nan 0.000 0.445 515 V N -0.119 119.709 119.914 -0.144 0.000 2.488 515 V HA -0.140 3.981 4.120 0.000 0.000 0.246 515 V C 2.620 178.529 176.094 -0.308 0.000 1.046 515 V CA 1.593 63.762 62.300 -0.218 0.000 1.053 515 V CB -0.695 30.963 31.823 -0.275 0.000 0.679 515 V HN 0.431 nan 8.190 nan 0.000 0.458 516 R N -0.317 119.963 120.500 -0.366 0.000 2.115 516 R HA -0.107 4.233 4.340 0.000 0.000 0.226 516 R C 2.198 178.374 176.300 -0.207 0.000 1.100 516 R CA 1.553 57.427 56.100 -0.376 0.000 0.980 516 R CB -0.865 29.175 30.300 -0.434 0.000 0.875 516 R HN 0.715 nan 8.270 nan 0.000 0.445 517 H N 0.733 119.683 119.070 -0.200 0.000 2.321 517 H HA -0.039 4.517 4.556 0.000 0.000 0.300 517 H C 1.882 177.131 175.328 -0.130 0.000 1.087 517 H CA 1.914 57.881 56.048 -0.134 0.000 1.319 517 H CB -0.055 29.647 29.762 -0.099 0.000 1.379 517 H HN -0.129 nan 8.280 nan 0.000 0.501 518 V N 0.687 120.475 119.914 -0.211 0.000 2.407 518 V HA -0.226 3.894 4.120 0.000 0.000 0.248 518 V C 2.562 178.502 176.094 -0.256 0.000 1.055 518 V CA 1.634 63.801 62.300 -0.222 0.000 1.049 518 V CB -0.425 31.337 31.823 -0.101 0.000 0.662 518 V HN 0.657 nan 8.190 nan 0.000 0.455 519 V N -1.862 117.876 119.914 -0.294 0.000 3.406 519 V HA 0.474 4.594 4.120 0.000 0.000 0.263 519 V C 1.561 177.466 176.094 -0.316 0.000 1.172 519 V CA 0.837 62.909 62.300 -0.380 0.000 1.140 519 V CB -0.526 30.911 31.823 -0.644 0.000 0.784 519 V HN 0.745 nan 8.190 nan 0.000 0.467 520 G N -0.205 108.438 108.800 -0.261 0.000 2.160 520 G HA2 -0.230 3.730 3.960 0.000 0.000 0.244 520 G HA3 -0.230 3.730 3.960 0.000 0.000 0.244 520 G C 0.041 174.877 174.900 -0.107 0.000 1.022 520 G CA 0.579 45.569 45.100 -0.183 0.000 0.741 520 G HN 1.210 nan 8.290 nan 0.000 0.508 521 Q N -0.094 119.647 119.800 -0.098 0.000 2.363 521 Q HA 0.571 4.911 4.340 0.000 0.000 0.265 521 Q C 0.291 176.273 176.000 -0.030 0.000 1.032 521 Q CA -0.639 55.157 55.803 -0.012 0.000 0.746 521 Q CB 0.830 29.633 28.738 0.109 0.000 1.237 521 Q HN 0.524 nan 8.270 nan 0.000 0.475 522 K N 3.720 124.109 120.400 -0.019 0.000 2.237 522 K HA 0.383 4.703 4.320 0.000 0.000 0.270 522 K C -2.236 174.371 176.600 0.012 0.000 1.015 522 K CA -1.798 54.480 56.287 -0.015 0.000 0.949 522 K CB 0.831 33.331 32.500 -0.001 0.000 0.976 522 K HN 0.463 nan 8.250 nan 0.000 0.472 523 P HA 0.097 nan 4.420 nan 0.000 0.271 523 P C -1.197 176.165 177.300 0.103 0.000 1.226 523 P CA -0.044 63.131 63.100 0.125 0.000 0.765 523 P CB 0.938 32.777 31.700 0.233 0.000 0.835 524 T N 0.585 115.206 114.554 0.113 0.000 2.933 524 T HA 0.202 4.552 4.350 0.000 0.000 0.305 524 T C 1.228 176.008 174.700 0.133 0.000 1.092 524 T CA -0.375 61.769 62.100 0.072 0.000 1.008 524 T CB 1.420 70.294 68.868 0.011 0.000 1.102 524 T HN 0.319 nan 8.240 nan 0.000 0.469 525 S N 1.453 117.207 115.700 0.091 0.000 2.383 525 S HA -0.166 4.304 4.470 0.000 0.000 0.229 525 S C 1.222 175.974 174.600 0.253 0.000 1.030 525 S CA 1.427 59.716 58.200 0.148 0.000 1.002 525 S CB -0.335 62.817 63.200 -0.079 0.000 0.829 525 S HN 0.727 nan 8.310 nan 0.000 0.467 526 D N 1.356 121.820 120.400 0.106 0.000 2.178 526 D HA 0.027 4.667 4.640 0.000 0.000 0.202 526 D C 0.689 176.892 176.300 -0.161 0.000 0.974 526 D CA 0.940 54.953 54.000 0.023 0.000 0.841 526 D CB 0.023 40.767 40.800 -0.092 0.000 0.953 526 D HN 0.334 nan 8.370 nan 0.000 0.478 527 R N 0.235 120.594 120.500 -0.235 0.000 2.673 527 R HA 0.383 4.723 4.340 0.000 0.000 0.281 527 R C -2.529 173.528 176.300 -0.405 0.000 0.991 527 R CA -1.713 54.000 56.100 -0.644 0.000 0.896 527 R CB 2.431 32.416 30.300 -0.525 0.000 1.201 527 R HN -0.022 nan 8.270 nan 0.000 0.457 528 P HA 0.071 nan 4.420 nan 0.000 0.293 528 P C 0.483 177.829 177.300 0.077 0.000 1.304 528 P CA -0.405 62.650 63.100 -0.075 0.000 0.767 528 P CB 0.560 32.230 31.700 -0.049 0.000 1.247 529 Y N 0.656 120.980 120.300 0.041 0.000 2.081 529 Y HA -0.089 4.461 4.550 0.000 0.000 0.280 529 Y C 0.775 176.694 175.900 0.032 0.000 1.163 529 Y CA 1.564 59.674 58.100 0.017 0.000 1.135 529 Y CB -0.473 37.995 38.460 0.012 0.000 0.970 529 Y HN 0.019 nan 8.280 nan 0.000 0.498 530 I N 0.824 121.280 120.570 -0.190 0.000 2.359 530 I HA -0.030 4.140 4.170 0.000 0.000 0.284 530 I C 0.716 176.818 176.117 -0.024 0.000 1.018 530 I CA -1.062 60.086 61.300 -0.253 0.000 1.173 530 I CB -0.043 37.732 38.000 -0.374 0.000 1.326 530 I HN 0.551 nan 8.210 nan 0.000 0.462 531 W N 6.407 127.574 121.300 -0.221 0.000 2.768 531 W HA 0.119 4.779 4.660 0.000 0.000 0.302 531 W C 0.130 176.551 176.519 -0.163 0.000 1.080 531 W CA 0.397 57.619 57.345 -0.205 0.000 1.611 531 W CB 0.521 29.866 29.460 -0.192 0.000 1.179 531 W HN 0.358 nan 8.180 nan 0.000 0.512 532 N N 1.247 119.855 118.700 -0.153 0.000 2.384 532 N HA 0.054 4.794 4.740 0.000 0.000 0.301 532 N C 0.221 175.632 175.510 -0.164 0.000 1.133 532 N CA -0.213 52.690 53.050 -0.245 0.000 0.853 532 N CB 1.557 39.935 38.487 -0.182 0.000 1.241 532 N HN -0.021 nan 8.380 nan 0.000 0.502 533 D N 0.329 120.628 120.400 -0.168 0.000 2.117 533 D HA -0.146 4.494 4.640 0.000 0.000 0.197 533 D C 1.115 177.341 176.300 -0.125 0.000 0.987 533 D CA 1.396 55.308 54.000 -0.147 0.000 0.829 533 D CB -0.127 40.595 40.800 -0.130 0.000 0.961 533 D HN 0.611 nan 8.370 nan 0.000 0.460 534 N N 0.821 119.460 118.700 -0.101 0.000 2.515 534 N HA -0.094 4.646 4.740 0.000 0.000 0.191 534 N C 0.768 176.238 175.510 -0.066 0.000 1.182 534 N CA 0.296 53.299 53.050 -0.079 0.000 0.879 534 N CB -0.337 38.113 38.487 -0.062 0.000 0.984 534 N HN 0.268 nan 8.380 nan 0.000 0.453 535 E N -0.582 119.576 120.200 -0.071 0.000 2.447 535 E HA 0.020 4.371 4.350 0.000 0.000 0.195 535 E C 0.081 176.645 176.600 -0.059 0.000 1.028 535 E CA 0.219 56.593 56.400 -0.044 0.000 0.876 535 E CB 0.167 29.862 29.700 -0.009 0.000 0.885 535 E HN 0.539 nan 8.360 nan 0.000 0.500 536 Q N -0.596 119.134 119.800 -0.117 0.000 2.482 536 Q HA 0.389 4.729 4.340 0.000 0.000 0.286 536 Q C -0.494 175.374 176.000 -0.219 0.000 1.007 536 Q CA -0.974 54.729 55.803 -0.167 0.000 0.801 536 Q CB 0.717 29.297 28.738 -0.263 0.000 1.455 536 Q HN 0.012 nan 8.270 nan 0.000 0.398 537 G N 1.596 110.267 108.800 -0.214 0.000 2.327 537 G HA2 0.439 4.399 3.960 0.000 0.000 0.302 537 G HA3 0.439 4.399 3.960 0.000 0.000 0.302 537 G C 0.553 175.254 174.900 -0.331 0.000 1.113 537 G CA -0.567 44.412 45.100 -0.203 0.000 0.921 537 G HN 0.560 nan 8.290 nan 0.000 0.425 538 L N 2.036 123.069 121.223 -0.316 0.000 2.083 538 L HA -0.108 4.232 4.340 0.000 0.000 0.209 538 L C 2.758 179.537 176.870 -0.151 0.000 1.083 538 L CA 1.369 56.017 54.840 -0.320 0.000 0.752 538 L CB -0.238 41.681 42.059 -0.233 0.000 0.899 538 L HN 0.655 nan 8.230 nan 0.000 0.433 539 D N 0.370 120.711 120.400 -0.098 0.000 2.149 539 D HA -0.288 4.352 4.640 0.000 0.000 0.194 539 D C 1.639 177.937 176.300 -0.003 0.000 1.001 539 D CA 1.774 55.752 54.000 -0.036 0.000 0.849 539 D CB -0.436 40.347 40.800 -0.029 0.000 0.939 539 D HN 0.455 nan 8.370 nan 0.000 0.449 540 E N -0.430 119.768 120.200 -0.005 0.000 2.106 540 E HA -0.150 4.200 4.350 0.000 0.000 0.192 540 E C 2.278 178.972 176.600 0.156 0.000 0.984 540 E CA 0.878 57.316 56.400 0.064 0.000 0.806 540 E CB -0.286 29.461 29.700 0.078 0.000 0.750 540 E HN 0.623 nan 8.360 nan 0.000 0.458 541 H N 0.440 119.506 119.070 -0.007 0.000 2.357 541 H HA -0.073 4.483 4.556 0.000 0.000 0.301 541 H C 2.344 177.671 175.328 -0.002 0.000 1.082 541 H CA 0.841 56.896 56.048 0.011 0.000 1.342 541 H CB 0.031 29.828 29.762 0.059 0.000 1.389 541 H HN 0.111 nan 8.280 nan 0.000 0.511 542 I N 0.983 121.629 120.570 0.126 0.000 2.127 542 I HA -0.297 3.873 4.170 0.000 0.000 0.241 542 I C 2.915 179.054 176.117 0.036 0.000 1.075 542 I CA 1.057 62.389 61.300 0.054 0.000 1.334 542 I CB -0.407 37.612 38.000 0.031 0.000 1.040 542 I HN 0.261 nan 8.210 nan 0.000 0.405 543 A N 0.694 123.537 122.820 0.039 0.000 1.940 543 A HA -0.214 4.106 4.320 0.000 0.000 0.219 543 A C 2.410 180.002 177.584 0.014 0.000 1.176 543 A CA 1.639 53.690 52.037 0.024 0.000 0.631 543 A CB -0.581 18.432 19.000 0.022 0.000 0.814 543 A HN 0.339 nan 8.150 nan 0.000 0.446 544 R N -0.758 119.752 120.500 0.016 0.000 2.073 544 R HA 0.048 4.388 4.340 0.000 0.000 0.229 544 R C 2.013 178.297 176.300 -0.027 0.000 1.120 544 R CA 1.428 57.520 56.100 -0.012 0.000 0.967 544 R CB -0.389 29.892 30.300 -0.030 0.000 0.862 544 R HN 0.576 nan 8.270 nan 0.000 0.436 545 I N 0.250 120.804 120.570 -0.027 0.000 2.202 545 I HA -0.267 3.903 4.170 0.000 0.000 0.242 545 I C 2.152 178.251 176.117 -0.030 0.000 1.091 545 I CA 1.176 62.452 61.300 -0.041 0.000 1.368 545 I CB -0.258 37.712 38.000 -0.049 0.000 1.058 545 I HN 0.088 nan 8.210 nan 0.000 0.410 546 S N 0.960 116.649 115.700 -0.017 0.000 2.365 546 S HA -0.256 4.214 4.470 0.000 0.000 0.225 546 S C 2.273 176.870 174.600 -0.006 0.000 1.039 546 S CA 1.591 59.784 58.200 -0.011 0.000 1.033 546 S CB -0.513 62.690 63.200 0.004 0.000 0.887 546 S HN 0.567 nan 8.310 nan 0.000 0.447 547 A N 1.140 123.958 122.820 -0.003 0.000 1.933 547 A HA -0.193 4.128 4.320 0.000 0.000 0.218 547 A C 1.891 179.475 177.584 0.000 0.000 1.175 547 A CA 2.023 54.060 52.037 -0.000 0.000 0.628 547 A CB -0.813 18.186 19.000 -0.002 0.000 0.814 547 A HN 0.534 nan 8.150 nan 0.000 0.444 548 D N -0.416 119.980 120.400 -0.007 0.000 2.097 548 D HA -0.089 4.552 4.640 0.000 0.000 0.197 548 D C 1.805 178.104 176.300 -0.001 0.000 0.984 548 D CA 1.301 55.299 54.000 -0.003 0.000 0.826 548 D CB -0.156 40.638 40.800 -0.011 0.000 0.973 548 D HN 0.480 nan 8.370 nan 0.000 0.460 549 I N 0.756 121.319 120.570 -0.012 0.000 2.127 549 I HA -0.304 3.866 4.170 0.000 0.000 0.241 549 I C 2.543 178.667 176.117 0.013 0.000 1.075 549 I CA 1.209 62.501 61.300 -0.012 0.000 1.334 549 I CB -0.550 37.428 38.000 -0.036 0.000 1.040 549 I HN 0.052 nan 8.210 nan 0.000 0.405 550 A N 0.729 123.559 122.820 0.017 0.000 1.958 550 A HA -0.217 4.103 4.320 0.000 0.000 0.221 550 A C 2.320 179.932 177.584 0.047 0.000 1.178 550 A CA 2.195 54.254 52.037 0.036 0.000 0.642 550 A CB -0.774 18.241 19.000 0.025 0.000 0.816 550 A HN 0.512 nan 8.150 nan 0.000 0.453 551 A N -1.941 120.900 122.820 0.034 0.000 2.251 551 A HA 0.434 4.755 4.320 0.000 0.000 0.209 551 A C 1.693 179.307 177.584 0.049 0.000 1.187 551 A CA 1.086 53.145 52.037 0.037 0.000 0.823 551 A CB -0.955 18.058 19.000 0.023 0.000 0.846 551 A HN 1.966 nan 8.150 nan 0.000 0.486 552 G N -0.993 107.840 108.800 0.056 0.000 2.221 552 G HA2 -0.071 3.889 3.960 0.000 0.000 0.265 552 G HA3 -0.071 3.889 3.960 0.000 0.000 0.265 552 G C 0.757 175.678 174.900 0.035 0.000 1.041 552 G CA 0.635 45.771 45.100 0.060 0.000 0.807 552 G HN 1.197 nan 8.290 nan 0.000 0.502 553 G N -1.015 107.799 108.800 0.023 0.000 2.546 553 G HA2 0.541 4.501 3.960 0.000 0.000 0.239 553 G HA3 0.541 4.501 3.960 0.000 0.000 0.239 553 G C 1.596 176.501 174.900 0.009 0.000 1.476 553 G CA 1.286 46.397 45.100 0.019 0.000 1.064 553 G HN 1.257 nan 8.290 nan 0.000 0.561 554 V N -1.586 118.335 119.914 0.012 0.000 2.626 554 V HA -0.049 4.072 4.120 0.000 0.000 0.252 554 V C 2.604 178.690 176.094 -0.014 0.000 1.067 554 V CA 1.428 63.723 62.300 -0.008 0.000 1.081 554 V CB -0.803 31.004 31.823 -0.027 0.000 0.686 554 V HN 0.529 nan 8.190 nan 0.000 0.468 555 I N 0.273 120.836 120.570 -0.012 0.000 2.252 555 I HA -0.148 4.022 4.170 0.000 0.000 0.245 555 I C 2.496 178.598 176.117 -0.025 0.000 1.102 555 I CA 1.455 62.740 61.300 -0.026 0.000 1.385 555 I CB -0.263 37.715 38.000 -0.037 0.000 1.064 555 I HN 0.198 nan 8.210 nan 0.000 0.414 556 V N 0.195 120.097 119.914 -0.019 0.000 2.453 556 V HA -0.257 3.864 4.120 0.000 0.000 0.247 556 V C 2.317 178.402 176.094 -0.015 0.000 1.048 556 V CA 1.622 63.910 62.300 -0.020 0.000 1.049 556 V CB -0.710 31.104 31.823 -0.015 0.000 0.672 556 V HN 0.455 nan 8.190 nan 0.000 0.457 557 Q N 0.082 119.876 119.800 -0.010 0.000 2.170 557 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 557 Q C 2.391 178.384 176.000 -0.012 0.000 0.976 557 Q CA 1.543 57.340 55.803 -0.009 0.000 0.858 557 Q CB -0.418 28.313 28.738 -0.011 0.000 0.907 557 Q HN 0.670 nan 8.270 nan 0.000 0.433 558 A N 0.795 123.605 122.820 -0.016 0.000 1.978 558 A HA -0.118 4.203 4.320 0.000 0.000 0.220 558 A C 1.982 179.559 177.584 -0.012 0.000 1.170 558 A CA 1.585 53.613 52.037 -0.015 0.000 0.636 558 A CB -0.370 18.621 19.000 -0.015 0.000 0.810 558 A HN 0.318 nan 8.150 nan 0.000 0.448 559 V N -3.380 116.528 119.914 -0.011 0.000 3.177 559 V HA 0.156 4.276 4.120 0.000 0.000 0.342 559 V C 1.302 177.398 176.094 0.003 0.000 1.379 559 V CA 0.419 62.716 62.300 -0.005 0.000 1.191 559 V CB -0.624 31.197 31.823 -0.002 0.000 1.167 559 V HN 0.487 nan 8.190 nan 0.000 0.471 560 Q N 1.518 121.317 119.800 -0.001 0.000 2.156 560 Q HA -0.304 4.036 4.340 0.000 0.000 0.211 560 Q C 1.762 177.772 176.000 0.016 0.000 0.995 560 Q CA 2.937 58.743 55.803 0.005 0.000 0.877 560 Q CB -0.195 28.545 28.738 0.004 0.000 0.920 560 Q HN 0.860 nan 8.270 nan 0.000 0.416 561 D N 0.231 120.638 120.400 0.012 0.000 2.104 561 D HA -0.172 4.468 4.640 0.000 0.000 0.194 561 D C 1.629 177.954 176.300 0.042 0.000 0.994 561 D CA 1.278 55.287 54.000 0.016 0.000 0.830 561 D CB -0.222 40.575 40.800 -0.004 0.000 0.959 561 D HN 0.280 nan 8.370 nan 0.000 0.452 562 I N 0.308 120.908 120.570 0.049 0.000 2.567 562 I HA -0.209 3.961 4.170 0.000 0.000 0.257 562 I C 2.050 178.294 176.117 0.211 0.000 1.184 562 I CA 0.630 62.002 61.300 0.120 0.000 1.451 562 I CB -0.235 37.828 38.000 0.106 0.000 1.089 562 I HN 0.061 nan 8.210 nan 0.000 0.441 563 L N 0.862 122.153 121.223 0.113 0.000 2.023 563 L HA -0.091 4.250 4.340 0.000 0.000 0.205 563 L C -0.247 176.662 176.870 0.066 0.000 1.073 563 L CA 1.287 56.172 54.840 0.075 0.000 0.745 563 L CB -1.641 40.425 42.059 0.013 0.000 0.900 563 L HN 0.215 nan 8.230 nan 0.000 0.435 564 P HA -0.020 nan 4.420 nan 0.000 0.244 564 P C 0.270 177.614 177.300 0.073 0.000 1.211 564 P CA 0.574 63.705 63.100 0.052 0.000 0.760 564 P CB 0.184 31.912 31.700 0.046 0.000 0.961 565 S N 0.000 115.784 115.700 0.141 0.000 2.498 565 S HA 0.000 4.470 4.470 0.000 0.000 0.327 565 S CA 0.000 58.337 58.200 0.227 0.000 1.107 565 S CB 0.000 63.465 63.200 0.441 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517