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 1xo6_1_B DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYDVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.328 176.300 0.047 0.000 2.045 10 D CA 0.000 54.029 54.000 0.049 0.000 0.868 10 D CB 0.000 40.837 40.800 0.062 0.000 0.688 11 I N -0.798 119.812 120.570 0.067 0.000 5.390 11 I HA 0.158 4.328 4.170 0.000 0.000 0.377 11 I C 0.030 176.094 176.117 -0.088 0.000 1.000 11 I CA 0.502 61.795 61.300 -0.013 0.000 1.665 11 I CB -0.105 37.875 38.000 -0.033 0.000 2.407 11 I HN 0.304 nan 8.210 nan 0.000 0.791 12 H N 1.149 120.214 119.070 -0.007 0.000 2.524 12 H HA 0.440 4.996 4.556 0.000 0.000 0.280 12 H C 0.303 175.628 175.328 -0.006 0.000 1.018 12 H CA 0.906 56.950 56.048 -0.007 0.000 1.165 12 H CB -0.075 29.683 29.762 -0.006 0.000 1.411 12 H HN 0.391 nan 8.280 nan 0.000 0.569 13 T N -4.701 109.897 114.554 0.072 0.000 2.932 13 T HA 0.206 4.556 4.350 0.000 0.000 0.289 13 T C 1.373 176.081 174.700 0.013 0.000 1.039 13 T CA -0.672 61.454 62.100 0.042 0.000 1.024 13 T CB 1.920 70.811 68.868 0.038 0.000 1.090 13 T HN -0.056 nan 8.240 nan 0.000 0.496 14 T N 1.408 115.968 114.554 0.010 0.000 2.708 14 T HA -0.053 4.297 4.350 0.000 0.000 0.266 14 T C 2.413 177.112 174.700 -0.001 0.000 1.037 14 T CA 1.644 63.744 62.100 0.001 0.000 1.146 14 T CB -0.861 68.009 68.868 0.003 0.000 0.865 14 T HN 0.829 nan 8.240 nan 0.000 0.435 15 A N 1.357 124.179 122.820 0.004 0.000 1.908 15 A HA 0.033 4.353 4.320 0.000 0.000 0.218 15 A C 2.616 180.200 177.584 0.001 0.000 1.181 15 A CA 2.002 54.041 52.037 0.003 0.000 0.627 15 A CB -1.370 17.634 19.000 0.007 0.000 0.818 15 A HN 0.530 nan 8.150 nan 0.000 0.445 16 G N -0.663 108.139 108.800 0.003 0.000 2.422 16 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 16 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 16 G C 1.645 176.536 174.900 -0.015 0.000 1.140 16 G CA 0.992 46.092 45.100 -0.000 0.000 0.775 16 G HN 0.589 nan 8.290 nan 0.000 0.545 17 K N -0.148 120.238 120.400 -0.022 0.000 2.155 17 K HA 0.168 4.488 4.320 0.000 0.000 0.203 17 K C 2.377 178.960 176.600 -0.030 0.000 1.052 17 K CA 0.374 56.639 56.287 -0.037 0.000 0.948 17 K CB -0.157 32.319 32.500 -0.039 0.000 0.728 17 K HN 0.264 nan 8.250 nan 0.000 0.448 18 L N 0.248 121.461 121.223 -0.017 0.000 2.109 18 L HA -0.097 4.243 4.340 0.000 0.000 0.207 18 L C 2.566 179.431 176.870 -0.008 0.000 1.086 18 L CA 0.980 55.814 54.840 -0.010 0.000 0.760 18 L CB -0.620 41.437 42.059 -0.004 0.000 0.910 18 L HN 0.175 nan 8.230 nan 0.000 0.437 19 A N 0.222 123.038 122.820 -0.007 0.000 1.930 19 A HA -0.271 4.050 4.320 0.000 0.000 0.217 19 A C 1.944 179.522 177.584 -0.010 0.000 1.175 19 A CA 1.966 54.001 52.037 -0.003 0.000 0.627 19 A CB -0.596 18.405 19.000 0.000 0.000 0.815 19 A HN 0.445 nan 8.150 nan 0.000 0.443 20 D N -0.547 119.839 120.400 -0.023 0.000 2.144 20 D HA -0.166 4.474 4.640 0.000 0.000 0.199 20 D C 1.754 178.018 176.300 -0.059 0.000 0.984 20 D CA 1.385 55.361 54.000 -0.040 0.000 0.834 20 D CB -0.166 40.601 40.800 -0.056 0.000 0.955 20 D HN 0.270 nan 8.370 nan 0.000 0.465 21 L N 0.632 121.821 121.223 -0.057 0.000 2.046 21 L HA -0.019 4.321 4.340 0.000 0.000 0.208 21 L C 2.209 179.075 176.870 -0.007 0.000 1.077 21 L CA 1.623 56.427 54.840 -0.061 0.000 0.747 21 L CB -0.520 41.528 42.059 -0.018 0.000 0.896 21 L HN -0.065 nan 8.230 nan 0.000 0.432 22 R N -0.787 119.718 120.500 0.009 0.000 2.105 22 R HA -0.181 4.159 4.340 0.000 0.000 0.239 22 R C 2.500 178.825 176.300 0.041 0.000 1.135 22 R CA 1.617 57.735 56.100 0.031 0.000 0.967 22 R CB -0.386 29.928 30.300 0.023 0.000 0.861 22 R HN 0.414 nan 8.270 nan 0.000 0.442 23 R N 0.953 121.467 120.500 0.022 0.000 2.066 23 R HA -0.104 4.236 4.340 0.000 0.000 0.232 23 R C 2.105 178.439 176.300 0.057 0.000 1.131 23 R CA 1.411 57.534 56.100 0.037 0.000 0.955 23 R CB -0.008 30.303 30.300 0.020 0.000 0.851 23 R HN 0.148 nan 8.270 nan 0.000 0.432 24 R N 0.620 121.113 120.500 -0.011 0.000 2.096 24 R HA -0.120 4.221 4.340 0.000 0.000 0.235 24 R C 2.451 178.802 176.300 0.086 0.000 1.127 24 R CA 1.854 57.907 56.100 -0.079 0.000 0.968 24 R CB -0.610 29.353 30.300 -0.561 0.000 0.861 24 R HN 0.448 nan 8.270 nan 0.000 0.440 25 I N -0.713 119.971 120.570 0.190 0.000 2.493 25 I HA -0.126 4.044 4.170 0.000 0.000 0.254 25 I C 2.049 178.257 176.117 0.152 0.000 1.160 25 I CA 1.498 62.947 61.300 0.249 0.000 1.445 25 I CB -0.122 37.970 38.000 0.153 0.000 1.086 25 I HN -0.035 nan 8.210 nan 0.000 0.433 26 E N 1.869 122.163 120.200 0.156 0.000 2.077 26 E HA -0.231 4.119 4.350 0.000 0.000 0.193 26 E C 2.017 178.792 176.600 0.292 0.000 0.989 26 E CA 1.858 58.385 56.400 0.212 0.000 0.800 26 E CB -0.150 29.655 29.700 0.175 0.000 0.746 26 E HN 0.683 nan 8.360 nan 0.000 0.452 27 E N -0.356 119.999 120.200 0.257 0.000 2.107 27 E HA -0.077 4.273 4.350 0.000 0.000 0.191 27 E C 2.011 178.807 176.600 0.327 0.000 0.982 27 E CA 0.833 57.408 56.400 0.292 0.000 0.809 27 E CB -0.162 29.730 29.700 0.319 0.000 0.756 27 E HN 0.337 nan 8.360 nan 0.000 0.459 28 A N 1.332 124.365 122.820 0.354 0.000 1.902 28 A HA -0.167 4.153 4.320 0.000 0.000 0.217 28 A C 2.420 180.054 177.584 0.083 0.000 1.181 28 A CA 1.952 54.164 52.037 0.292 0.000 0.623 28 A CB -1.026 18.097 19.000 0.204 0.000 0.818 28 A HN 0.371 nan 8.150 nan 0.000 0.443 29 T N -3.976 110.554 114.554 -0.041 0.000 3.160 29 T HA 0.008 4.358 4.350 0.000 0.000 0.257 29 T C 0.589 174.988 174.700 -0.502 0.000 1.147 29 T CA 1.004 62.945 62.100 -0.264 0.000 1.064 29 T CB -0.378 68.280 68.868 -0.350 0.000 0.949 29 T HN 0.561 nan 8.240 nan 0.000 0.526 30 H N -0.479 118.634 119.070 0.072 0.000 2.790 30 H HA 0.625 5.181 4.556 0.000 0.000 0.232 30 H C 1.624 176.979 175.328 0.045 0.000 1.313 30 H CA -0.182 55.897 56.048 0.051 0.000 1.011 30 H CB 0.239 30.030 29.762 0.049 0.000 2.105 30 H HN 0.381 nan 8.280 nan 0.000 0.580 31 A N 0.991 123.873 122.820 0.102 0.000 1.892 31 A HA -0.067 4.253 4.320 0.000 0.000 0.218 31 A C 1.773 179.365 177.584 0.013 0.000 1.188 31 A CA 1.457 53.533 52.037 0.065 0.000 0.631 31 A CB -0.732 18.299 19.000 0.052 0.000 0.822 31 A HN 0.416 nan 8.150 nan 0.000 0.447 32 G N -0.297 108.511 108.800 0.013 0.000 2.503 32 G HA2 0.419 4.379 3.960 0.000 0.000 0.257 32 G HA3 0.419 4.379 3.960 0.000 0.000 0.257 32 G C 0.354 175.260 174.900 0.010 0.000 1.214 32 G CA 0.385 45.477 45.100 -0.014 0.000 0.839 32 G HN 0.888 nan 8.290 nan 0.000 0.559 33 S N 0.528 116.219 115.700 -0.014 0.000 2.593 33 S HA 0.417 4.887 4.470 0.000 0.000 0.269 33 S C 1.716 176.325 174.600 0.016 0.000 1.334 33 S CA 0.178 58.377 58.200 -0.002 0.000 1.015 33 S CB 1.487 64.677 63.200 -0.017 0.000 0.912 33 S HN 1.280 nan 8.310 nan 0.000 0.541 34 A N 2.496 125.326 122.820 0.017 0.000 1.908 34 A HA -0.128 4.192 4.320 0.000 0.000 0.218 34 A C 2.391 179.994 177.584 0.032 0.000 1.181 34 A CA 1.186 53.239 52.037 0.026 0.000 0.627 34 A CB -0.681 18.327 19.000 0.013 0.000 0.818 34 A HN 0.770 nan 8.150 nan 0.000 0.445 35 R N -0.496 120.018 120.500 0.023 0.000 2.081 35 R HA -0.051 4.289 4.340 0.000 0.000 0.235 35 R C 2.461 178.781 176.300 0.033 0.000 1.131 35 R CA 1.453 57.570 56.100 0.028 0.000 0.960 35 R CB -1.275 29.037 30.300 0.020 0.000 0.856 35 R HN 0.539 nan 8.270 nan 0.000 0.436 36 A N 0.415 123.250 122.820 0.025 0.000 1.902 36 A HA -0.117 4.203 4.320 0.000 0.000 0.217 36 A C 2.472 180.076 177.584 0.034 0.000 1.181 36 A CA 1.641 53.699 52.037 0.034 0.000 0.623 36 A CB -0.602 18.405 19.000 0.011 0.000 0.818 36 A HN 0.113 nan 8.150 nan 0.000 0.443 37 V N 0.083 120.007 119.914 0.016 0.000 2.343 37 V HA -0.278 3.842 4.120 0.000 0.000 0.247 37 V C 2.418 178.506 176.094 -0.011 0.000 1.051 37 V CA 2.316 64.597 62.300 -0.031 0.000 1.036 37 V CB -0.852 30.979 31.823 0.014 0.000 0.654 37 V HN 0.642 nan 8.190 nan 0.000 0.451 38 E N 0.049 120.291 120.200 0.070 0.000 2.051 38 E HA -0.248 4.102 4.350 0.000 0.000 0.192 38 E C 2.299 178.951 176.600 0.086 0.000 0.991 38 E CA 1.351 57.817 56.400 0.111 0.000 0.799 38 E CB -0.175 29.573 29.700 0.080 0.000 0.748 38 E HN 0.596 nan 8.360 nan 0.000 0.449 39 K N 0.595 121.031 120.400 0.059 0.000 2.063 39 K HA -0.245 4.075 4.320 0.000 0.000 0.208 39 K C 2.286 178.909 176.600 0.038 0.000 1.048 39 K CA 1.460 57.782 56.287 0.057 0.000 0.928 39 K CB -0.137 32.408 32.500 0.075 0.000 0.713 39 K HN -0.025 nan 8.250 nan 0.000 0.442 40 Q N 0.792 120.598 119.800 0.010 0.000 2.020 40 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 40 Q C 1.708 177.682 176.000 -0.043 0.000 0.982 40 Q CA 1.846 57.614 55.803 -0.058 0.000 0.838 40 Q CB -0.234 28.433 28.738 -0.118 0.000 0.899 40 Q HN 0.516 nan 8.270 nan 0.000 0.423 41 H N -1.144 117.933 119.070 0.012 0.000 2.387 41 H HA -0.000 4.556 4.556 0.000 0.000 0.299 41 H C 1.730 177.058 175.328 -0.001 0.000 1.090 41 H CA 0.814 56.865 56.048 0.005 0.000 1.332 41 H CB 0.028 29.797 29.762 0.011 0.000 1.386 41 H HN 0.447 nan 8.280 nan 0.000 0.516 42 A N 0.951 123.850 122.820 0.131 0.000 2.067 42 A HA -0.121 4.199 4.320 0.000 0.000 0.219 42 A C 1.804 179.412 177.584 0.040 0.000 1.158 42 A CA 1.120 53.199 52.037 0.070 0.000 0.661 42 A CB -0.084 18.950 19.000 0.056 0.000 0.801 42 A HN 0.319 nan 8.150 nan 0.000 0.452 43 K N -1.244 119.170 120.400 0.024 0.000 2.444 43 K HA 0.222 4.542 4.320 0.000 0.000 0.193 43 K C 0.964 177.562 176.600 -0.004 0.000 1.024 43 K CA 0.450 56.733 56.287 -0.007 0.000 1.077 43 K CB 0.015 32.483 32.500 -0.053 0.000 0.833 43 K HN 0.610 nan 8.250 nan 0.000 0.517 44 G N 2.143 110.957 108.800 0.023 0.000 2.143 44 G HA2 -0.285 3.675 3.960 0.000 0.000 0.249 44 G HA3 -0.285 3.675 3.960 0.000 0.000 0.249 44 G C -0.215 174.697 174.900 0.020 0.000 0.981 44 G CA 0.197 45.311 45.100 0.024 0.000 0.665 44 G HN 0.281 nan 8.290 nan 0.000 0.528 45 K N -0.645 119.761 120.400 0.011 0.000 2.168 45 K HA 0.836 5.156 4.320 0.000 0.000 0.239 45 K C 0.411 177.029 176.600 0.029 0.000 0.999 45 K CA -0.823 55.456 56.287 -0.014 0.000 0.900 45 K CB 1.478 33.925 32.500 -0.088 0.000 1.111 45 K HN 0.133 nan 8.250 nan 0.000 0.452 46 L N 0.476 121.702 121.223 0.006 0.000 2.313 46 L HA 0.411 4.751 4.340 0.000 0.000 0.268 46 L C 0.474 177.308 176.870 -0.060 0.000 1.010 46 L CA -0.964 53.889 54.840 0.022 0.000 0.814 46 L CB 1.909 43.993 42.059 0.043 0.000 1.304 46 L HN 0.794 nan 8.230 nan 0.000 0.441 47 T N -1.989 112.517 114.554 -0.080 0.000 2.882 47 T HA 0.331 4.681 4.350 0.000 0.000 0.287 47 T C 1.120 175.797 174.700 -0.039 0.000 1.014 47 T CA -0.066 61.987 62.100 -0.077 0.000 1.049 47 T CB 1.547 70.367 68.868 -0.080 0.000 1.001 47 T HN 0.664 nan 8.240 nan 0.000 0.525 48 A N 1.813 124.618 122.820 -0.025 0.000 1.917 48 A HA -0.151 4.169 4.320 0.000 0.000 0.219 48 A C 2.574 180.108 177.584 -0.084 0.000 1.182 48 A CA 1.636 53.652 52.037 -0.034 0.000 0.633 48 A CB -0.755 18.238 19.000 -0.012 0.000 0.819 48 A HN 0.926 nan 8.150 nan 0.000 0.448 49 R N -0.695 119.754 120.500 -0.084 0.000 2.090 49 R HA -0.070 4.270 4.340 0.000 0.000 0.228 49 R C 2.128 178.355 176.300 -0.122 0.000 1.110 49 R CA 1.353 57.377 56.100 -0.128 0.000 0.973 49 R CB -0.262 29.982 30.300 -0.094 0.000 0.869 49 R HN 0.697 nan 8.270 nan 0.000 0.440 50 E N 0.359 120.522 120.200 -0.062 0.000 2.077 50 E HA -0.175 4.175 4.350 0.000 0.000 0.193 50 E C 2.062 178.625 176.600 -0.061 0.000 0.989 50 E CA 0.973 57.352 56.400 -0.035 0.000 0.800 50 E CB -0.010 29.707 29.700 0.027 0.000 0.746 50 E HN 0.256 nan 8.360 nan 0.000 0.452 51 R N 0.501 120.960 120.500 -0.068 0.000 2.081 51 R HA -0.102 4.238 4.340 0.000 0.000 0.235 51 R C 2.375 178.601 176.300 -0.124 0.000 1.131 51 R CA 1.128 57.183 56.100 -0.075 0.000 0.960 51 R CB -0.261 30.000 30.300 -0.065 0.000 0.856 51 R HN 0.202 nan 8.270 nan 0.000 0.436 52 I N 0.817 121.269 120.570 -0.196 0.000 2.394 52 I HA -0.237 3.933 4.170 0.000 0.000 0.251 52 I C 1.256 177.217 176.117 -0.261 0.000 1.136 52 I CA 1.106 62.221 61.300 -0.308 0.000 1.425 52 I CB -0.252 37.399 38.000 -0.581 0.000 1.079 52 I HN 0.111 nan 8.210 nan 0.000 0.425 53 D N 0.714 120.997 120.400 -0.196 0.000 2.219 53 D HA -0.082 4.558 4.640 0.000 0.000 0.205 53 D C 2.284 178.534 176.300 -0.082 0.000 0.970 53 D CA 1.006 54.930 54.000 -0.126 0.000 0.851 53 D CB -0.019 40.731 40.800 -0.084 0.000 0.943 53 D HN 0.316 nan 8.370 nan 0.000 0.488 54 L N -0.137 121.041 121.223 -0.075 0.000 2.179 54 L HA -0.062 4.278 4.340 0.000 0.000 0.208 54 L C 2.134 178.974 176.870 -0.050 0.000 1.096 54 L CA 0.304 55.115 54.840 -0.049 0.000 0.779 54 L CB -0.040 41.998 42.059 -0.034 0.000 0.922 54 L HN 0.077 nan 8.230 nan 0.000 0.443 55 L N -0.384 120.796 121.223 -0.071 0.000 2.084 55 L HA 0.070 4.410 4.340 0.000 0.000 0.202 55 L C 1.021 177.860 176.870 -0.052 0.000 1.074 55 L CA 1.243 56.046 54.840 -0.062 0.000 0.757 55 L CB -0.090 41.923 42.059 -0.076 0.000 0.918 55 L HN -0.080 nan 8.230 nan 0.000 0.444 56 L N 0.841 122.026 121.223 -0.064 0.000 2.453 56 L HA 0.145 4.485 4.340 0.000 0.000 0.261 56 L C -0.211 176.652 176.870 -0.012 0.000 1.179 56 L CA -0.726 54.100 54.840 -0.023 0.000 0.813 56 L CB -0.037 42.019 42.059 -0.005 0.000 1.110 56 L HN 0.150 nan 8.230 nan 0.000 0.466 57 D N 1.268 121.674 120.400 0.010 0.000 2.424 57 D HA -0.008 4.632 4.640 0.000 0.000 0.244 57 D C 0.262 176.571 176.300 0.014 0.000 1.134 57 D CA 0.033 54.037 54.000 0.008 0.000 0.881 57 D CB 0.691 41.501 40.800 0.016 0.000 1.191 57 D HN 0.441 nan 8.370 nan 0.000 0.445 58 E N 0.586 120.789 120.200 0.005 0.000 2.652 58 E HA 0.016 4.366 4.350 0.000 0.000 0.255 58 E C 1.014 177.626 176.600 0.018 0.000 0.952 58 E CA 0.676 57.081 56.400 0.008 0.000 0.947 58 E CB 0.025 29.726 29.700 0.001 0.000 0.912 58 E HN 0.690 nan 8.360 nan 0.000 0.489 59 G N 3.069 111.885 108.800 0.027 0.000 2.184 59 G HA2 -0.391 3.569 3.960 0.000 0.000 0.264 59 G HA3 -0.391 3.569 3.960 0.000 0.000 0.264 59 G C 0.862 175.781 174.900 0.031 0.000 0.975 59 G CA 0.905 46.021 45.100 0.027 0.000 0.642 59 G HN 0.833 nan 8.290 nan 0.000 0.536 60 S N -0.916 114.815 115.700 0.052 0.000 2.528 60 S HA 0.416 4.886 4.470 0.000 0.000 0.219 60 S C 0.871 175.505 174.600 0.057 0.000 0.985 60 S CA 0.364 58.598 58.200 0.057 0.000 0.914 60 S CB 0.081 63.327 63.200 0.075 0.000 0.776 60 S HN 1.012 nan 8.310 nan 0.000 0.526 61 F N 3.058 122.943 119.950 -0.108 0.000 2.495 61 F HA 0.507 5.034 4.527 0.000 0.000 0.365 61 F C -0.531 175.104 175.800 -0.275 0.000 1.090 61 F CA -0.927 56.964 58.000 -0.182 0.000 1.235 61 F CB 0.891 39.806 39.000 -0.143 0.000 1.119 61 F HN -0.079 nan 8.300 nan 0.000 0.562 62 V N 6.649 125.860 119.914 -1.173 0.000 2.443 62 V HA 0.222 4.342 4.120 0.000 0.000 0.293 62 V C -0.237 174.924 176.094 -1.554 0.000 1.021 62 V CA -1.016 60.563 62.300 -1.200 0.000 0.848 62 V CB 1.385 32.498 31.823 -1.184 0.000 0.998 62 V HN 0.750 nan 8.190 nan 0.000 0.424 63 E N 4.179 123.589 120.200 -1.316 0.000 2.331 63 E HA 0.565 4.915 4.350 0.000 0.000 0.272 63 E C -1.271 175.011 176.600 -0.531 0.000 1.036 63 E CA -0.453 55.385 56.400 -0.936 0.000 0.864 63 E CB 1.137 30.508 29.700 -0.548 0.000 1.035 63 E HN 0.555 nan 8.360 nan 0.000 0.408 64 L N 3.303 124.317 121.223 -0.348 0.000 2.334 64 L HA 0.270 4.610 4.340 0.000 0.000 0.273 64 L C -0.260 176.508 176.870 -0.171 0.000 1.013 64 L CA -0.782 53.920 54.840 -0.230 0.000 0.816 64 L CB 1.536 43.494 42.059 -0.168 0.000 1.278 64 L HN 0.665 nan 8.230 nan 0.000 0.431 65 D N 0.891 121.203 120.400 -0.147 0.000 2.751 65 D HA -0.235 4.405 4.640 0.000 0.000 0.233 65 D C 1.131 177.346 176.300 -0.142 0.000 1.149 65 D CA 1.324 55.263 54.000 -0.102 0.000 0.682 65 D CB -0.594 40.179 40.800 -0.045 0.000 1.068 65 D HN 0.811 nan 8.370 nan 0.000 0.429 66 E N -0.815 119.197 120.200 -0.312 0.000 2.160 66 E HA -0.190 4.160 4.350 0.000 0.000 0.195 66 E C 1.120 177.502 176.600 -0.363 0.000 0.991 66 E CA 1.017 57.150 56.400 -0.445 0.000 0.810 66 E CB 0.010 29.229 29.700 -0.801 0.000 0.742 66 E HN 0.296 nan 8.360 nan 0.000 0.466 67 F N 0.407 120.292 119.950 -0.108 0.000 2.668 67 F HA 0.401 4.928 4.527 0.000 0.000 0.297 67 F C 0.505 176.371 175.800 0.111 0.000 1.124 67 F CA -0.389 57.546 58.000 -0.107 0.000 1.353 67 F CB -0.295 38.537 39.000 -0.281 0.000 0.992 67 F HN -0.056 nan 8.300 nan 0.000 0.524 68 A N 1.385 124.336 122.820 0.218 0.000 2.462 68 A HA 0.574 4.894 4.320 0.000 0.000 0.243 68 A C 0.608 178.321 177.584 0.215 0.000 1.076 68 A CA -0.123 52.018 52.037 0.174 0.000 0.773 68 A CB 0.383 19.443 19.000 0.100 0.000 1.010 68 A HN 0.340 nan 8.150 nan 0.000 0.493 69 R N 0.919 121.513 120.500 0.155 0.000 2.771 69 R HA 0.323 4.663 4.340 0.000 0.000 0.274 69 R C -0.591 175.752 176.300 0.072 0.000 0.987 69 R CA -0.757 55.400 56.100 0.095 0.000 0.908 69 R CB 1.619 31.929 30.300 0.016 0.000 1.213 69 R HN 1.046 nan 8.270 nan 0.000 0.468 70 H N 0.713 119.837 119.070 0.090 0.000 2.615 70 H HA 0.251 4.807 4.556 0.000 0.000 0.363 70 H C -0.361 174.983 175.328 0.027 0.000 1.148 70 H CA -0.268 55.810 56.048 0.050 0.000 1.401 70 H CB 1.362 31.142 29.762 0.030 0.000 1.461 70 H HN 0.500 nan 8.280 nan 0.000 0.588 71 R N 1.574 122.182 120.500 0.181 0.000 2.552 71 R HA 0.138 4.478 4.340 0.000 0.000 0.314 71 R C 0.066 176.457 176.300 0.152 0.000 1.041 71 R CA -0.251 55.910 56.100 0.102 0.000 1.076 71 R CB 0.551 30.883 30.300 0.053 0.000 1.290 71 R HN 0.433 nan 8.270 nan 0.000 0.563 72 S N 0.451 116.350 115.700 0.331 0.000 2.525 72 S HA 0.166 4.636 4.470 0.000 0.000 0.278 72 S C 1.044 175.730 174.600 0.143 0.000 1.234 72 S CA -0.466 57.820 58.200 0.143 0.000 1.058 72 S CB 1.049 64.225 63.200 -0.040 0.000 0.983 72 S HN 0.378 nan 8.310 nan 0.000 0.495 73 T N 0.882 115.464 114.554 0.046 0.000 3.091 73 T HA 0.289 4.639 4.350 0.000 0.000 0.277 73 T C 0.006 174.688 174.700 -0.030 0.000 0.996 73 T CA -0.563 61.552 62.100 0.026 0.000 0.897 73 T CB -0.309 68.559 68.868 0.001 0.000 1.109 73 T HN 0.480 nan 8.240 nan 0.000 0.534 74 N N 2.188 120.859 118.700 -0.048 0.000 2.513 74 N HA 0.280 5.020 4.740 0.000 0.000 0.268 74 N C -0.187 175.313 175.510 -0.017 0.000 1.180 74 N CA -0.353 52.618 53.050 -0.132 0.000 0.948 74 N CB -0.193 38.257 38.487 -0.061 0.000 1.083 74 N HN 0.248 nan 8.380 nan 0.000 0.455 75 F N 0.139 120.068 119.950 -0.035 0.000 3.048 75 F HA -0.218 4.309 4.527 0.000 0.000 0.269 75 F C 1.566 177.355 175.800 -0.020 0.000 0.960 75 F CA 0.826 58.808 58.000 -0.030 0.000 0.909 75 F CB -2.176 36.797 39.000 -0.046 0.000 0.837 75 F HN 0.782 nan 8.300 nan 0.000 0.768 76 G N -0.232 108.606 108.800 0.064 0.000 2.233 76 G HA2 -0.371 3.589 3.960 0.000 0.000 0.270 76 G HA3 -0.371 3.589 3.960 0.000 0.000 0.270 76 G C 1.135 176.093 174.900 0.096 0.000 1.011 76 G CA 0.386 45.528 45.100 0.069 0.000 0.762 76 G HN 0.635 nan 8.290 nan 0.000 0.511 77 L N 0.484 121.759 121.223 0.086 0.000 2.131 77 L HA -0.082 4.258 4.340 0.000 0.000 0.210 77 L C 2.712 179.733 176.870 0.253 0.000 1.092 77 L CA 2.113 56.991 54.840 0.064 0.000 0.759 77 L CB -0.233 41.734 42.059 -0.153 0.000 0.903 77 L HN 0.573 nan 8.230 nan 0.000 0.435 78 D N -0.323 120.230 120.400 0.255 0.000 2.403 78 D HA -0.168 4.472 4.640 0.000 0.000 0.227 78 D C 1.714 178.089 176.300 0.124 0.000 0.995 78 D CA 0.931 55.070 54.000 0.231 0.000 0.928 78 D CB 0.045 40.909 40.800 0.107 0.000 0.887 78 D HN 0.349 nan 8.370 nan 0.000 0.529 79 A N 0.273 123.174 122.820 0.134 0.000 2.066 79 A HA -0.077 4.243 4.320 0.000 0.000 0.218 79 A C 0.876 178.519 177.584 0.098 0.000 1.157 79 A CA 0.457 52.549 52.037 0.090 0.000 0.670 79 A CB -0.072 18.980 19.000 0.086 0.000 0.804 79 A HN 0.141 nan 8.150 nan 0.000 0.453 80 N N 0.288 119.103 118.700 0.192 0.000 2.504 80 N HA 0.306 5.046 4.740 0.000 0.000 0.280 80 N C -1.208 174.483 175.510 0.301 0.000 1.052 80 N CA -0.236 52.929 53.050 0.192 0.000 0.887 80 N CB 1.369 39.984 38.487 0.213 0.000 1.323 80 N HN 0.236 nan 8.380 nan 0.000 0.509 81 R N 2.090 122.619 120.500 0.048 0.000 2.724 81 R HA 0.282 4.622 4.340 0.000 0.000 0.284 81 R C -2.353 173.891 176.300 -0.094 0.000 1.481 81 R CA -1.279 54.779 56.100 -0.071 0.000 1.652 81 R CB 1.265 31.379 30.300 -0.310 0.000 1.175 81 R HN 0.364 nan 8.270 nan 0.000 0.613 82 P HA -0.064 nan 4.420 nan 0.000 0.268 82 P C -0.494 176.827 177.300 0.035 0.000 1.205 82 P CA 0.100 63.163 63.100 -0.063 0.000 0.771 82 P CB 0.626 32.282 31.700 -0.073 0.000 0.858 83 Y N 0.741 121.094 120.300 0.088 0.000 2.610 83 Y HA 0.219 4.769 4.550 0.000 0.000 0.332 83 Y C 2.103 178.059 175.900 0.093 0.000 1.201 83 Y CA 1.112 59.292 58.100 0.133 0.000 1.465 83 Y CB 0.170 38.766 38.460 0.227 0.000 1.283 83 Y HN 0.794 nan 8.280 nan 0.000 0.563 84 G N 1.930 110.886 108.800 0.260 0.000 2.268 84 G HA2 -0.407 3.553 3.960 0.000 0.000 0.240 84 G HA3 -0.407 3.553 3.960 0.000 0.000 0.240 84 G C 0.410 175.372 174.900 0.104 0.000 1.010 84 G CA 0.368 45.538 45.100 0.116 0.000 0.618 84 G HN 0.849 nan 8.290 nan 0.000 0.516 85 D N -1.184 119.323 120.400 0.177 0.000 2.751 85 D HA 0.161 4.801 4.640 0.000 0.000 0.233 85 D C 1.844 178.306 176.300 0.269 0.000 1.149 85 D CA 3.176 57.333 54.000 0.261 0.000 0.682 85 D CB -1.254 39.704 40.800 0.264 0.000 1.068 85 D HN 2.211 nan 8.370 nan 0.000 0.429 86 G N -2.421 106.470 108.800 0.152 0.000 2.175 86 G HA2 -0.109 3.851 3.960 0.000 0.000 0.244 86 G HA3 -0.109 3.851 3.960 0.000 0.000 0.244 86 G C 0.230 174.993 174.900 -0.229 0.000 0.982 86 G CA 0.342 45.513 45.100 0.118 0.000 0.641 86 G HN 1.319 nan 8.290 nan 0.000 0.527 87 V N 0.171 119.870 119.914 -0.358 0.000 2.851 87 V HA 0.689 4.809 4.120 0.000 0.000 0.307 87 V C -0.533 175.460 176.094 -0.169 0.000 1.129 87 V CA -0.554 61.490 62.300 -0.426 0.000 0.932 87 V CB 2.308 33.577 31.823 -0.923 0.000 1.024 87 V HN 0.626 nan 8.190 nan 0.000 0.426 88 V N 5.876 125.752 119.914 -0.065 0.000 2.394 88 V HA 0.766 4.886 4.120 0.000 0.000 0.282 88 V C 0.341 176.482 176.094 0.079 0.000 1.031 88 V CA 0.153 62.458 62.300 0.007 0.000 0.881 88 V CB 1.522 33.344 31.823 -0.003 0.000 0.982 88 V HN 1.083 nan 8.190 nan 0.000 0.451 89 T N 1.236 115.859 114.554 0.115 0.000 2.896 89 T HA 0.971 5.321 4.350 0.000 0.000 0.297 89 T C -0.127 174.660 174.700 0.145 0.000 1.108 89 T CA -0.086 62.106 62.100 0.153 0.000 1.004 89 T CB 2.307 71.221 68.868 0.077 0.000 1.159 89 T HN 1.321 nan 8.240 nan 0.000 0.499 90 G N 0.326 109.214 108.800 0.146 0.000 2.360 90 G HA2 0.512 4.472 3.960 0.000 0.000 0.276 90 G HA3 0.512 4.472 3.960 0.000 0.000 0.276 90 G C -2.098 172.814 174.900 0.020 0.000 1.256 90 G CA -0.287 44.736 45.100 -0.128 0.000 0.890 90 G HN 1.497 nan 8.290 nan 0.000 0.486 91 Y N -1.854 118.372 120.300 -0.124 0.000 2.655 91 Y HA 0.918 5.468 4.550 0.000 0.000 0.336 91 Y C 0.339 176.283 175.900 0.074 0.000 1.154 91 Y CA -0.531 57.557 58.100 -0.020 0.000 1.055 91 Y CB 1.350 39.694 38.460 -0.192 0.000 1.295 91 Y HN 1.829 nan 8.280 nan 0.000 0.465 92 G N -0.072 108.949 108.800 0.369 0.000 2.450 92 G HA2 0.521 4.481 3.960 0.000 0.000 0.273 92 G HA3 0.521 4.481 3.960 0.000 0.000 0.273 92 G C -1.325 173.705 174.900 0.217 0.000 1.221 92 G CA -0.291 44.963 45.100 0.256 0.000 0.900 92 G HN 1.299 nan 8.290 nan 0.000 0.483 93 T N -2.790 111.845 114.554 0.136 0.000 2.901 93 T HA 0.728 5.078 4.350 0.000 0.000 0.293 93 T C -1.409 173.321 174.700 0.050 0.000 1.084 93 T CA -0.786 61.369 62.100 0.091 0.000 1.008 93 T CB 2.031 70.944 68.868 0.074 0.000 1.170 93 T HN 1.156 nan 8.240 nan 0.000 0.509 94 V N 2.247 122.176 119.914 0.025 0.000 2.488 94 V HA 0.389 4.509 4.120 0.000 0.000 0.293 94 V C -0.739 175.345 176.094 -0.017 0.000 1.027 94 V CA -0.678 61.619 62.300 -0.005 0.000 0.862 94 V CB 1.079 32.890 31.823 -0.020 0.000 1.008 94 V HN 1.138 nan 8.190 nan 0.000 0.428 95 D N 4.127 124.515 120.400 -0.021 0.000 2.800 95 D HA -0.188 4.452 4.640 0.000 0.000 0.232 95 D C 1.337 177.640 176.300 0.004 0.000 1.137 95 D CA 1.770 55.757 54.000 -0.022 0.000 0.718 95 D CB -1.073 39.698 40.800 -0.048 0.000 1.084 95 D HN 1.450 nan 8.370 nan 0.000 0.432 96 G N -0.487 108.321 108.800 0.012 0.000 2.205 96 G HA2 -0.384 3.576 3.960 0.000 0.000 0.261 96 G HA3 -0.384 3.576 3.960 0.000 0.000 0.261 96 G C 0.372 175.286 174.900 0.023 0.000 0.980 96 G CA 0.634 45.748 45.100 0.023 0.000 0.632 96 G HN 0.528 nan 8.290 nan 0.000 0.533 97 R N 1.366 121.876 120.500 0.017 0.000 2.474 97 R HA 0.501 4.841 4.340 0.000 0.000 0.295 97 R C -2.375 173.945 176.300 0.033 0.000 0.980 97 R CA -1.861 54.247 56.100 0.012 0.000 0.934 97 R CB 1.446 31.741 30.300 -0.009 0.000 1.101 97 R HN 0.135 nan 8.270 nan 0.000 0.469 98 P HA 0.024 nan 4.420 nan 0.000 0.268 98 P C -0.732 176.622 177.300 0.090 0.000 1.204 98 P CA 0.101 63.248 63.100 0.079 0.000 0.768 98 P CB 0.946 32.675 31.700 0.049 0.000 0.842 99 V N 2.309 122.314 119.914 0.152 0.000 2.932 99 V HA 0.618 4.738 4.120 0.000 0.000 0.307 99 V C -0.174 176.065 176.094 0.242 0.000 1.147 99 V CA -0.919 61.471 62.300 0.150 0.000 0.951 99 V CB 2.196 34.072 31.823 0.089 0.000 1.031 99 V HN 0.740 nan 8.190 nan 0.000 0.426 100 A N 2.898 125.862 122.820 0.240 0.000 2.324 100 A HA 0.947 5.267 4.320 0.000 0.000 0.330 100 A C -0.920 176.777 177.584 0.189 0.000 1.165 100 A CA -0.629 51.582 52.037 0.289 0.000 0.813 100 A CB 1.771 21.001 19.000 0.384 0.000 1.197 100 A HN 1.172 nan 8.150 nan 0.000 0.484 101 V N 2.816 122.839 119.914 0.183 0.000 3.049 101 V HA 0.884 5.004 4.120 0.000 0.000 0.309 101 V C -1.753 174.446 176.094 0.175 0.000 1.148 101 V CA -0.851 61.503 62.300 0.090 0.000 0.990 101 V CB 2.058 33.887 31.823 0.010 0.000 1.039 101 V HN 1.254 nan 8.190 nan 0.000 0.430 102 F N 2.588 122.562 119.950 0.040 0.000 2.578 102 F HA 0.876 5.403 4.527 0.000 0.000 0.311 102 F C -0.610 175.181 175.800 -0.016 0.000 1.094 102 F CA -0.679 57.325 58.000 0.007 0.000 0.923 102 F CB 2.101 41.107 39.000 0.011 0.000 1.230 102 F HN 0.445 nan 8.300 nan 0.000 0.450 103 S N 2.562 118.370 115.700 0.181 0.000 2.721 103 S HA 0.278 4.748 4.470 0.000 0.000 0.264 103 S C -1.084 173.575 174.600 0.098 0.000 1.161 103 S CA -0.590 57.650 58.200 0.067 0.000 1.113 103 S CB 0.645 63.815 63.200 -0.051 0.000 1.079 103 S HN 0.780 nan 8.310 nan 0.000 0.479 104 Q N 2.379 122.291 119.800 0.186 0.000 2.315 104 Q HA 0.073 4.413 4.340 0.000 0.000 0.289 104 Q C -0.598 175.479 176.000 0.128 0.000 1.044 104 Q CA 0.276 56.168 55.803 0.148 0.000 0.920 104 Q CB 0.453 29.379 28.738 0.314 0.000 1.214 104 Q HN 0.505 nan 8.270 nan 0.000 0.392 105 D N 2.214 122.673 120.400 0.099 0.000 2.473 105 D HA 0.062 4.702 4.640 0.000 0.000 0.226 105 D C -0.207 176.195 176.300 0.170 0.000 1.089 105 D CA -0.472 53.594 54.000 0.110 0.000 0.883 105 D CB 0.243 41.068 40.800 0.042 0.000 1.029 105 D HN 0.479 nan 8.370 nan 0.000 0.517 106 F N 2.447 122.434 119.950 0.061 0.000 2.202 106 F HA -0.207 4.320 4.527 0.000 0.000 0.301 106 F C 2.415 178.236 175.800 0.036 0.000 1.082 106 F CA 1.914 59.951 58.000 0.061 0.000 1.313 106 F CB 0.010 39.031 39.000 0.034 0.000 1.024 106 F HN 0.418 nan 8.300 nan 0.000 0.495 107 T N -2.318 112.311 114.554 0.125 0.000 3.098 107 T HA 0.014 4.364 4.350 0.000 0.000 0.266 107 T C 0.562 175.216 174.700 -0.077 0.000 1.145 107 T CA 0.574 62.692 62.100 0.030 0.000 1.092 107 T CB -0.857 68.031 68.868 0.033 0.000 0.908 107 T HN -0.081 nan 8.240 nan 0.000 0.526 108 V N 2.402 122.263 119.914 -0.088 0.000 2.350 108 V HA 0.437 4.557 4.120 0.000 0.000 0.285 108 V C -0.235 175.803 176.094 -0.094 0.000 1.014 108 V CA -0.986 61.203 62.300 -0.184 0.000 0.831 108 V CB 0.072 31.831 31.823 -0.106 0.000 1.000 108 V HN 0.446 nan 8.190 nan 0.000 0.433 109 F N 3.323 123.230 119.950 -0.071 0.000 3.100 109 F HA -0.243 4.284 4.527 0.000 0.000 0.284 109 F C 1.697 177.374 175.800 -0.205 0.000 0.875 109 F CA 1.301 59.238 58.000 -0.105 0.000 1.039 109 F CB -1.765 37.194 39.000 -0.068 0.000 1.111 109 F HN 0.934 nan 8.300 nan 0.000 0.575 110 G N -1.062 107.603 108.800 -0.225 0.000 2.179 110 G HA2 0.124 4.084 3.960 0.000 0.000 0.257 110 G HA3 0.124 4.084 3.960 0.000 0.000 0.257 110 G C 1.584 176.126 174.900 -0.596 0.000 1.010 110 G CA 1.088 45.785 45.100 -0.671 0.000 0.736 110 G HN 2.181 nan 8.290 nan 0.000 0.513 111 G N -1.481 107.213 108.800 -0.175 0.000 2.168 111 G HA2 0.136 4.096 3.960 0.000 0.000 0.257 111 G HA3 0.136 4.096 3.960 0.000 0.000 0.257 111 G C 0.817 175.778 174.900 0.102 0.000 0.997 111 G CA 1.187 46.351 45.100 0.107 0.000 0.708 111 G HN 2.348 nan 8.290 nan 0.000 0.520 112 A N 0.402 123.206 122.820 -0.027 0.000 2.488 112 A HA 0.556 4.876 4.320 0.000 0.000 0.249 112 A C 0.846 178.154 177.584 -0.461 0.000 1.083 112 A CA -0.133 51.811 52.037 -0.155 0.000 0.768 112 A CB 0.504 19.423 19.000 -0.135 0.000 1.017 112 A HN 1.315 nan 8.150 nan 0.000 0.496 113 L N 3.520 124.353 121.223 -0.650 0.000 2.410 113 L HA 0.520 4.860 4.340 0.000 0.000 0.273 113 L C 0.545 176.940 176.870 -0.791 0.000 1.144 113 L CA 1.094 55.225 54.840 -1.183 0.000 0.863 113 L CB -0.007 41.470 42.059 -0.971 0.000 1.140 113 L HN 0.794 nan 8.230 nan 0.000 0.463 114 G N 3.712 112.076 108.800 -0.727 0.000 3.013 114 G HA2 0.301 4.261 3.960 0.000 0.000 0.278 114 G HA3 0.301 4.261 3.960 0.000 0.000 0.278 114 G C 0.300 175.057 174.900 -0.238 0.000 1.353 114 G CA -0.045 44.832 45.100 -0.372 0.000 1.043 114 G HN 0.744 nan 8.290 nan 0.000 0.523 115 E N -1.117 118.994 120.200 -0.148 0.000 2.005 115 E HA -0.171 4.179 4.350 0.000 0.000 0.198 115 E C 2.532 179.120 176.600 -0.020 0.000 1.010 115 E CA 1.810 58.157 56.400 -0.087 0.000 0.825 115 E CB -0.196 29.472 29.700 -0.053 0.000 0.769 115 E HN 0.166 nan 8.360 nan 0.000 0.456 116 V N 0.695 120.633 119.914 0.040 0.000 2.332 116 V HA -0.268 3.852 4.120 0.000 0.000 0.248 116 V C 2.224 178.380 176.094 0.104 0.000 1.055 116 V CA 2.095 64.439 62.300 0.074 0.000 1.038 116 V CB -0.811 31.081 31.823 0.115 0.000 0.651 116 V HN 0.432 nan 8.190 nan 0.000 0.450 117 Y N 2.059 122.336 120.300 -0.039 0.000 2.081 117 Y HA -0.212 4.338 4.550 0.000 0.000 0.280 117 Y C 2.352 178.173 175.900 -0.132 0.000 1.163 117 Y CA 1.736 59.799 58.100 -0.061 0.000 1.135 117 Y CB -1.065 37.356 38.460 -0.065 0.000 0.970 117 Y HN 0.185 nan 8.280 nan 0.000 0.498 118 G N -0.655 108.222 108.800 0.127 0.000 2.418 118 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 118 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 118 G C 1.488 176.351 174.900 -0.061 0.000 1.158 118 G CA 0.853 45.924 45.100 -0.049 0.000 0.771 118 G HN 0.530 nan 8.290 nan 0.000 0.545 119 Q N -0.002 119.778 119.800 -0.032 0.000 2.170 119 Q HA -0.041 4.299 4.340 0.000 0.000 0.203 119 Q C 2.545 178.532 176.000 -0.022 0.000 0.976 119 Q CA 1.048 56.835 55.803 -0.026 0.000 0.858 119 Q CB -0.077 28.657 28.738 -0.007 0.000 0.907 119 Q HN 0.436 nan 8.270 nan 0.000 0.433 120 K N 0.376 120.763 120.400 -0.022 0.000 2.097 120 K HA -0.088 4.232 4.320 0.000 0.000 0.205 120 K C 1.969 178.534 176.600 -0.058 0.000 1.050 120 K CA 0.960 57.226 56.287 -0.035 0.000 0.938 120 K CB -0.012 32.455 32.500 -0.055 0.000 0.718 120 K HN 0.219 nan 8.250 nan 0.000 0.442 121 I N 0.699 121.194 120.570 -0.125 0.000 2.315 121 I HA -0.240 3.930 4.170 0.000 0.000 0.248 121 I C 2.176 178.235 176.117 -0.097 0.000 1.117 121 I CA 0.873 62.041 61.300 -0.220 0.000 1.404 121 I CB -0.182 37.535 38.000 -0.472 0.000 1.071 121 I HN -0.069 nan 8.210 nan 0.000 0.419 122 V N 1.279 121.152 119.914 -0.068 0.000 2.343 122 V HA -0.311 3.809 4.120 0.000 0.000 0.247 122 V C 2.558 178.672 176.094 0.032 0.000 1.051 122 V CA 2.017 64.305 62.300 -0.019 0.000 1.036 122 V CB -0.671 31.135 31.823 -0.028 0.000 0.654 122 V HN 0.449 nan 8.190 nan 0.000 0.451 123 K N 0.013 120.433 120.400 0.032 0.000 2.057 123 K HA -0.167 4.153 4.320 0.000 0.000 0.207 123 K C 2.033 178.707 176.600 0.124 0.000 1.049 123 K CA 1.786 58.113 56.287 0.067 0.000 0.931 123 K CB -0.203 32.320 32.500 0.040 0.000 0.714 123 K HN 0.320 nan 8.250 nan 0.000 0.440 124 V N 1.512 121.494 119.914 0.113 0.000 2.343 124 V HA -0.257 3.863 4.120 0.000 0.000 0.247 124 V C 2.394 178.644 176.094 0.260 0.000 1.051 124 V CA 1.930 64.341 62.300 0.185 0.000 1.036 124 V CB -0.351 31.592 31.823 0.200 0.000 0.654 124 V HN 0.404 nan 8.190 nan 0.000 0.451 125 M N -0.551 119.165 119.600 0.193 0.000 2.132 125 M HA -0.150 4.330 4.480 0.000 0.000 0.263 125 M C 1.974 178.370 176.300 0.160 0.000 1.065 125 M CA 1.686 57.095 55.300 0.182 0.000 1.122 125 M CB -0.578 32.102 32.600 0.133 0.000 1.365 125 M HN 0.298 nan 8.290 nan 0.000 0.411 126 D N 0.215 120.701 120.400 0.142 0.000 2.117 126 D HA -0.154 4.486 4.640 0.000 0.000 0.197 126 D C 1.653 178.032 176.300 0.131 0.000 0.987 126 D CA 1.177 55.246 54.000 0.116 0.000 0.829 126 D CB -0.394 40.465 40.800 0.099 0.000 0.961 126 D HN 0.278 nan 8.370 nan 0.000 0.460 127 F N 1.765 121.738 119.950 0.039 0.000 2.069 127 F HA -0.208 4.319 4.527 0.000 0.000 0.298 127 F C 2.210 178.020 175.800 0.016 0.000 1.113 127 F CA 1.918 59.930 58.000 0.020 0.000 1.214 127 F CB -0.311 38.708 39.000 0.032 0.000 0.978 127 F HN -0.050 nan 8.300 nan 0.000 0.474 128 A N 0.330 123.240 122.820 0.151 0.000 1.908 128 A HA -0.181 4.139 4.320 0.000 0.000 0.218 128 A C 2.114 179.668 177.584 -0.051 0.000 1.181 128 A CA 1.818 53.873 52.037 0.029 0.000 0.627 128 A CB -1.300 17.806 19.000 0.176 0.000 0.818 128 A HN 0.516 nan 8.150 nan 0.000 0.445 129 L N 0.028 121.257 121.223 0.009 0.000 2.056 129 L HA -0.114 4.226 4.340 0.000 0.000 0.207 129 L C 2.359 179.201 176.870 -0.046 0.000 1.078 129 L CA 2.522 57.370 54.840 0.012 0.000 0.749 129 L CB -0.463 41.630 42.059 0.057 0.000 0.901 129 L HN 0.496 nan 8.230 nan 0.000 0.433 130 K N -1.210 119.134 120.400 -0.092 0.000 2.097 130 K HA -0.143 4.177 4.320 0.000 0.000 0.205 130 K C 1.608 178.089 176.600 -0.198 0.000 1.050 130 K CA 1.791 58.003 56.287 -0.126 0.000 0.938 130 K CB -0.114 32.310 32.500 -0.127 0.000 0.718 130 K HN 0.557 nan 8.250 nan 0.000 0.442 131 T N -3.413 110.942 114.554 -0.331 0.000 3.060 131 T HA 0.206 4.556 4.350 0.000 0.000 0.249 131 T C 0.910 175.487 174.700 -0.206 0.000 1.079 131 T CA 0.318 62.212 62.100 -0.343 0.000 1.013 131 T CB 0.377 68.870 68.868 -0.625 0.000 0.975 131 T HN 0.332 nan 8.240 nan 0.000 0.518 132 G N 1.484 110.199 108.800 -0.141 0.000 2.324 132 G HA2 -0.174 3.786 3.960 0.000 0.000 0.292 132 G HA3 -0.174 3.786 3.960 0.000 0.000 0.292 132 G C 0.150 175.020 174.900 -0.049 0.000 1.079 132 G CA -0.087 44.975 45.100 -0.063 0.000 1.026 132 G HN 1.472 nan 8.290 nan 0.000 0.506 133 C N -1.918 117.356 119.300 -0.043 0.000 2.889 133 C HA 0.958 5.418 4.460 0.000 0.000 0.307 133 C C -2.217 172.790 174.990 0.029 0.000 1.251 133 C CA -2.574 56.439 59.018 -0.008 0.000 1.593 133 C CB 1.874 29.617 27.740 0.005 0.000 2.104 133 C HN 0.263 nan 8.230 nan 0.000 0.476 134 P HA 0.277 nan 4.420 nan 0.000 0.268 134 P C -0.816 176.527 177.300 0.072 0.000 1.208 134 P CA 0.020 63.129 63.100 0.016 0.000 0.777 134 P CB 0.457 32.141 31.700 -0.027 0.000 0.875 135 V N 3.407 123.369 119.914 0.080 0.000 2.448 135 V HA 0.271 4.391 4.120 0.000 0.000 0.295 135 V C -0.123 175.999 176.094 0.047 0.000 1.025 135 V CA -0.524 61.843 62.300 0.112 0.000 0.859 135 V CB 2.091 34.021 31.823 0.178 0.000 0.988 135 V HN 0.178 nan 8.190 nan 0.000 0.431 136 V N 4.179 124.081 119.914 -0.020 0.000 2.334 136 V HA 0.648 4.768 4.120 0.000 0.000 0.281 136 V C 0.663 176.526 176.094 -0.386 0.000 1.016 136 V CA -0.358 61.872 62.300 -0.116 0.000 0.832 136 V CB 1.641 33.413 31.823 -0.086 0.000 0.999 136 V HN 0.942 nan 8.190 nan 0.000 0.439 137 G N 5.385 113.876 108.800 -0.516 0.000 2.335 137 G HA2 0.672 4.632 3.960 0.000 0.000 0.316 137 G HA3 0.672 4.632 3.960 0.000 0.000 0.316 137 G C -0.579 173.924 174.900 -0.661 0.000 1.129 137 G CA -0.468 43.839 45.100 -1.320 0.000 0.899 137 G HN 0.657 nan 8.290 nan 0.000 0.448 138 I N 2.448 122.641 120.570 -0.628 0.000 2.330 138 I HA 0.163 4.333 4.170 0.000 0.000 0.286 138 I C -0.623 175.510 176.117 0.027 0.000 1.025 138 I CA -0.782 60.408 61.300 -0.182 0.000 1.197 138 I CB 1.129 39.048 38.000 -0.136 0.000 1.358 138 I HN 0.332 nan 8.210 nan 0.000 0.467 139 N N 4.989 123.746 118.700 0.095 0.000 2.456 139 N HA 0.437 5.177 4.740 0.000 0.000 0.288 139 N C -0.782 174.820 175.510 0.153 0.000 1.059 139 N CA -0.409 52.757 53.050 0.194 0.000 0.946 139 N CB 1.083 39.688 38.487 0.198 0.000 1.150 139 N HN 0.433 nan 8.380 nan 0.000 0.479 140 D N 0.407 120.933 120.400 0.210 0.000 2.668 140 D HA 0.142 4.782 4.640 0.000 0.000 0.234 140 D C -1.721 174.800 176.300 0.368 0.000 1.349 140 D CA -0.094 54.038 54.000 0.220 0.000 0.889 140 D CB 0.234 41.136 40.800 0.171 0.000 1.520 140 D HN 0.313 nan 8.370 nan 0.000 0.521 141 S N 0.588 116.485 115.700 0.328 0.000 2.548 141 S HA 0.622 5.092 4.470 0.000 0.000 0.276 141 S C 1.180 175.921 174.600 0.234 0.000 1.129 141 S CA -0.028 58.349 58.200 0.295 0.000 0.931 141 S CB 1.387 64.725 63.200 0.230 0.000 1.068 141 S HN 0.282 nan 8.310 nan 0.000 0.480 142 G N 2.066 110.966 108.800 0.167 0.000 2.471 142 G HA2 0.447 4.407 3.960 0.000 0.000 0.219 142 G HA3 0.447 4.407 3.960 0.000 0.000 0.219 142 G C 0.916 175.857 174.900 0.067 0.000 1.125 142 G CA 0.624 45.802 45.100 0.130 0.000 0.775 142 G HN 1.580 nan 8.290 nan 0.000 0.548 143 G N -1.259 107.568 108.800 0.045 0.000 2.260 143 G HA2 0.480 4.440 3.960 0.000 0.000 0.250 143 G HA3 0.480 4.440 3.960 0.000 0.000 0.250 143 G C -0.381 174.549 174.900 0.050 0.000 1.340 143 G CA -0.184 44.945 45.100 0.048 0.000 1.056 143 G HN 1.085 nan 8.290 nan 0.000 0.471 144 A N -0.027 122.844 122.820 0.085 0.000 2.440 144 A HA 0.643 4.963 4.320 0.000 0.000 0.251 144 A C 0.852 178.383 177.584 -0.088 0.000 1.089 144 A CA 0.451 52.516 52.037 0.047 0.000 0.779 144 A CB 0.238 19.317 19.000 0.131 0.000 1.022 144 A HN 0.894 nan 8.150 nan 0.000 0.492 145 R N 3.309 123.694 120.500 -0.192 0.000 2.612 145 R HA 0.207 4.547 4.340 0.000 0.000 0.273 145 R C 0.483 176.670 176.300 -0.188 0.000 1.376 145 R CA -0.190 55.771 56.100 -0.232 0.000 1.171 145 R CB -0.561 29.531 30.300 -0.346 0.000 1.151 145 R HN 0.831 nan 8.270 nan 0.000 0.560 146 I N 2.541 123.024 120.570 -0.146 0.000 2.290 146 I HA -0.416 3.754 4.170 0.000 0.000 0.253 146 I C 1.705 177.742 176.117 -0.134 0.000 1.112 146 I CA 1.433 62.654 61.300 -0.132 0.000 1.377 146 I CB -0.116 37.793 38.000 -0.153 0.000 1.060 146 I HN 0.599 nan 8.210 nan 0.000 0.428 147 Q N 0.708 120.414 119.800 -0.157 0.000 2.170 147 Q HA -0.192 4.148 4.340 0.000 0.000 0.203 147 Q C 1.713 177.737 176.000 0.039 0.000 0.976 147 Q CA 1.305 57.096 55.803 -0.019 0.000 0.858 147 Q CB -0.230 28.469 28.738 -0.065 0.000 0.907 147 Q HN 0.534 nan 8.270 nan 0.000 0.433 148 E N -0.118 120.031 120.200 -0.085 0.000 2.494 148 E HA 0.121 4.471 4.350 0.000 0.000 0.193 148 E C 0.879 177.459 176.600 -0.034 0.000 1.074 148 E CA 0.069 56.421 56.400 -0.079 0.000 0.867 148 E CB -0.082 29.526 29.700 -0.154 0.000 0.924 148 E HN 0.393 nan 8.360 nan 0.000 0.502 149 G N 1.254 110.054 108.800 0.001 0.000 2.627 149 G HA2 -0.439 3.521 3.960 0.000 0.000 0.312 149 G HA3 -0.439 3.521 3.960 0.000 0.000 0.312 149 G C 1.186 176.086 174.900 -0.000 0.000 1.299 149 G CA 0.945 46.056 45.100 0.017 0.000 0.989 149 G HN 0.414 nan 8.290 nan 0.000 0.547 150 V N -1.463 118.456 119.914 0.008 0.000 2.688 150 V HA 0.150 4.270 4.120 0.000 0.000 0.256 150 V C 3.151 179.240 176.094 -0.009 0.000 1.084 150 V CA 2.684 64.990 62.300 0.009 0.000 1.103 150 V CB -1.667 30.164 31.823 0.013 0.000 0.688 150 V HN 2.148 nan 8.190 nan 0.000 0.480 151 A N 1.988 124.791 122.820 -0.029 0.000 1.917 151 A HA -0.236 4.084 4.320 0.000 0.000 0.219 151 A C 2.640 180.168 177.584 -0.093 0.000 1.182 151 A CA 2.948 54.953 52.037 -0.054 0.000 0.633 151 A CB -1.125 17.838 19.000 -0.061 0.000 0.819 151 A HN 0.996 nan 8.150 nan 0.000 0.448 152 S N -0.072 115.561 115.700 -0.111 0.000 2.383 152 S HA -0.065 4.405 4.470 0.000 0.000 0.227 152 S C 1.881 176.416 174.600 -0.108 0.000 1.026 152 S CA 1.343 59.423 58.200 -0.199 0.000 0.981 152 S CB -0.742 62.345 63.200 -0.188 0.000 0.818 152 S HN 0.470 nan 8.310 nan 0.000 0.472 153 L N 1.443 122.692 121.223 0.043 0.000 2.046 153 L HA 0.020 4.360 4.340 0.000 0.000 0.208 153 L C 3.047 179.950 176.870 0.055 0.000 1.077 153 L CA 1.236 56.160 54.840 0.142 0.000 0.747 153 L CB -1.415 40.705 42.059 0.102 0.000 0.896 153 L HN 0.530 nan 8.230 nan 0.000 0.432 154 G N -0.154 108.641 108.800 -0.009 0.000 2.446 154 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 154 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 154 G C 1.794 176.641 174.900 -0.088 0.000 1.168 154 G CA 0.893 45.973 45.100 -0.033 0.000 0.771 154 G HN 0.465 nan 8.290 nan 0.000 0.551 155 A N 0.064 122.792 122.820 -0.154 0.000 1.877 155 A HA -0.012 4.308 4.320 0.000 0.000 0.216 155 A C 2.245 179.649 177.584 -0.300 0.000 1.186 155 A CA 1.656 53.553 52.037 -0.232 0.000 0.620 155 A CB -0.693 18.118 19.000 -0.314 0.000 0.822 155 A HN 0.374 nan 8.150 nan 0.000 0.443 156 Y N 0.238 120.335 120.300 -0.338 0.000 2.165 156 Y HA -0.123 4.427 4.550 0.000 0.000 0.286 156 Y C 2.805 178.094 175.900 -1.018 0.000 1.155 156 Y CA 0.912 58.613 58.100 -0.664 0.000 1.164 156 Y CB -1.101 37.036 38.460 -0.539 0.000 0.978 156 Y HN 0.313 nan 8.280 nan 0.000 0.513 157 G N -0.345 108.264 108.800 -0.320 0.000 2.421 157 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 157 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 157 G C 1.612 176.453 174.900 -0.099 0.000 1.171 157 G CA 0.990 46.024 45.100 -0.110 0.000 0.775 157 G HN 0.261 nan 8.290 nan 0.000 0.543 158 E N 0.466 120.594 120.200 -0.120 0.000 2.118 158 E HA -0.085 4.265 4.350 0.000 0.000 0.195 158 E C 2.579 179.120 176.600 -0.098 0.000 0.992 158 E CA 0.553 56.900 56.400 -0.089 0.000 0.804 158 E CB -0.212 29.439 29.700 -0.082 0.000 0.741 158 E HN 0.539 nan 8.360 nan 0.000 0.458 159 I N 0.320 120.788 120.570 -0.171 0.000 2.202 159 I HA -0.250 3.920 4.170 0.000 0.000 0.242 159 I C 2.132 178.264 176.117 0.025 0.000 1.091 159 I CA 0.807 62.037 61.300 -0.116 0.000 1.368 159 I CB -0.318 37.570 38.000 -0.186 0.000 1.058 159 I HN -0.026 nan 8.210 nan 0.000 0.410 160 F N 0.905 120.880 119.950 0.041 0.000 2.120 160 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 160 F C 2.655 178.432 175.800 -0.038 0.000 1.095 160 F CA 1.279 59.294 58.000 0.024 0.000 1.249 160 F CB -1.168 37.844 39.000 0.020 0.000 0.995 160 F HN 0.024 nan 8.300 nan 0.000 0.480 161 R N 0.561 121.121 120.500 0.099 0.000 2.083 161 R HA -0.169 4.171 4.340 0.000 0.000 0.237 161 R C 2.402 178.547 176.300 -0.258 0.000 1.137 161 R CA 1.347 57.364 56.100 -0.139 0.000 0.951 161 R CB -0.088 30.098 30.300 -0.191 0.000 0.851 161 R HN 0.109 nan 8.270 nan 0.000 0.434 162 R N 0.597 121.031 120.500 -0.110 0.000 2.081 162 R HA -0.078 4.262 4.340 0.000 0.000 0.235 162 R C 1.975 178.311 176.300 0.060 0.000 1.131 162 R CA 1.675 57.756 56.100 -0.031 0.000 0.960 162 R CB -1.238 29.076 30.300 0.024 0.000 0.856 162 R HN 0.475 nan 8.270 nan 0.000 0.436 163 N N -0.308 118.452 118.700 0.100 0.000 2.104 163 N HA -0.137 4.603 4.740 0.000 0.000 0.190 163 N C 1.467 177.050 175.510 0.122 0.000 1.024 163 N CA 1.966 55.101 53.050 0.142 0.000 0.853 163 N CB -0.103 38.499 38.487 0.191 0.000 1.008 163 N HN 0.198 nan 8.380 nan 0.000 0.424 164 T N -0.504 114.108 114.554 0.097 0.000 2.770 164 T HA -0.066 4.284 4.350 0.000 0.000 0.263 164 T C 1.370 176.191 174.700 0.202 0.000 1.039 164 T CA 0.962 63.129 62.100 0.111 0.000 1.142 164 T CB -0.374 68.549 68.868 0.092 0.000 0.868 164 T HN 0.418 nan 8.240 nan 0.000 0.435 165 H N 0.490 119.590 119.070 0.051 0.000 2.423 165 H HA 0.148 4.704 4.556 0.000 0.000 0.297 165 H C 2.279 177.637 175.328 0.050 0.000 1.075 165 H CA 0.647 56.720 56.048 0.042 0.000 1.342 165 H CB 0.088 29.877 29.762 0.045 0.000 1.395 165 H HN 0.343 nan 8.280 nan 0.000 0.530 166 A N 0.704 123.642 122.820 0.196 0.000 2.218 166 A HA 0.018 4.338 4.320 0.000 0.000 0.209 166 A C 1.206 178.881 177.584 0.152 0.000 1.168 166 A CA -0.090 52.041 52.037 0.157 0.000 0.804 166 A CB 0.112 19.204 19.000 0.155 0.000 0.834 166 A HN 0.165 nan 8.150 nan 0.000 0.482 167 S N 0.139 115.915 115.700 0.127 0.000 2.555 167 S HA 0.374 4.844 4.470 0.000 0.000 0.293 167 S C 1.423 176.049 174.600 0.043 0.000 1.248 167 S CA 0.891 59.151 58.200 0.100 0.000 1.096 167 S CB -0.337 62.899 63.200 0.060 0.000 0.881 167 S HN 1.774 nan 8.310 nan 0.000 0.498 168 G N 3.067 111.894 108.800 0.046 0.000 2.184 168 G HA2 -0.246 3.714 3.960 0.000 0.000 0.264 168 G HA3 -0.246 3.714 3.960 0.000 0.000 0.264 168 G C 0.596 175.354 174.900 -0.237 0.000 0.975 168 G CA 0.382 45.300 45.100 -0.304 0.000 0.642 168 G HN 0.778 nan 8.290 nan 0.000 0.536 169 V N 0.616 120.590 119.914 0.101 0.000 2.599 169 V HA 0.404 4.524 4.120 0.000 0.000 0.237 169 V C 1.342 177.650 176.094 0.357 0.000 1.081 169 V CA 1.719 64.108 62.300 0.149 0.000 1.107 169 V CB 0.009 31.895 31.823 0.106 0.000 0.808 169 V HN 0.723 nan 8.190 nan 0.000 0.486 170 I N -1.879 118.901 120.570 0.350 0.000 2.608 170 I HA 0.604 4.774 4.170 0.000 0.000 0.295 170 I C -3.057 173.152 176.117 0.153 0.000 1.049 170 I CA -2.731 58.714 61.300 0.242 0.000 1.063 170 I CB 2.004 40.076 38.000 0.120 0.000 1.248 170 I HN -0.030 nan 8.210 nan 0.000 0.424 171 P HA 0.088 nan 4.420 nan 0.000 0.265 171 P C -1.330 175.956 177.300 -0.024 0.000 1.193 171 P CA 0.240 63.142 63.100 -0.330 0.000 0.765 171 P CB 0.375 31.809 31.700 -0.443 0.000 0.823 172 Q N 2.516 122.351 119.800 0.057 0.000 2.290 172 Q HA 0.526 4.866 4.340 0.000 0.000 0.269 172 Q C -0.731 175.343 176.000 0.124 0.000 1.016 172 Q CA -0.333 55.534 55.803 0.106 0.000 0.754 172 Q CB 1.696 30.520 28.738 0.142 0.000 1.247 172 Q HN 0.411 nan 8.270 nan 0.000 0.451 173 I N 1.197 121.835 120.570 0.114 0.000 2.433 173 I HA 0.356 4.526 4.170 0.000 0.000 0.292 173 I C -0.289 175.886 176.117 0.097 0.000 1.001 173 I CA -0.686 60.703 61.300 0.148 0.000 1.119 173 I CB 2.171 40.258 38.000 0.144 0.000 1.289 173 I HN 0.405 nan 8.210 nan 0.000 0.438 174 S N 6.761 122.540 115.700 0.133 0.000 2.422 174 S HA 0.455 4.925 4.470 0.000 0.000 0.308 174 S C -0.364 174.289 174.600 0.089 0.000 1.097 174 S CA -0.496 57.762 58.200 0.096 0.000 1.099 174 S CB 0.858 64.138 63.200 0.135 0.000 0.976 174 S HN 0.402 nan 8.310 nan 0.000 0.471 175 L N 5.217 126.457 121.223 0.028 0.000 2.264 175 L HA 0.464 4.804 4.340 0.000 0.000 0.287 175 L C -1.039 175.850 176.870 0.031 0.000 1.039 175 L CA -0.520 54.340 54.840 0.034 0.000 0.829 175 L CB 0.782 42.839 42.059 -0.003 0.000 1.211 175 L HN 0.363 nan 8.230 nan 0.000 0.427 176 V N 6.113 126.053 119.914 0.044 0.000 2.320 176 V HA 0.115 4.235 4.120 0.000 0.000 0.265 176 V C 0.574 176.679 176.094 0.018 0.000 1.048 176 V CA -0.345 61.980 62.300 0.040 0.000 0.865 176 V CB 1.293 33.138 31.823 0.037 0.000 1.043 176 V HN 0.626 nan 8.190 nan 0.000 0.474 177 V N 2.065 121.989 119.914 0.017 0.000 2.854 177 V HA 0.935 5.055 4.120 0.000 0.000 0.366 177 V C 0.477 176.560 176.094 -0.019 0.000 1.322 177 V CA 0.388 62.684 62.300 -0.006 0.000 1.243 177 V CB -0.104 31.714 31.823 -0.008 0.000 1.337 177 V HN 0.880 nan 8.190 nan 0.000 0.585 178 G N 0.482 109.283 108.800 0.001 0.000 2.356 178 G HA2 0.487 4.447 3.960 0.000 0.000 0.281 178 G HA3 0.487 4.447 3.960 0.000 0.000 0.281 178 G C -3.616 171.322 174.900 0.065 0.000 1.246 178 G CA -0.631 44.459 45.100 -0.016 0.000 0.889 178 G HN 0.177 nan 8.290 nan 0.000 0.486 179 P HA 0.496 nan 4.420 nan 0.000 0.278 179 P C -0.797 176.544 177.300 0.067 0.000 1.238 179 P CA -0.288 62.885 63.100 0.122 0.000 0.794 179 P CB 1.609 33.403 31.700 0.156 0.000 0.955 180 C N 3.383 122.648 119.300 -0.059 0.000 2.660 180 C HA 0.789 5.249 4.460 0.000 0.000 0.336 180 C C -0.554 174.195 174.990 -0.402 0.000 1.058 180 C CA 0.001 58.950 59.018 -0.114 0.000 1.368 180 C CB -0.996 26.707 27.740 -0.062 0.000 1.884 180 C HN 0.662 nan 8.230 nan 0.000 0.454 181 A N 4.287 126.865 122.820 -0.403 0.000 2.380 181 A HA 0.978 5.298 4.320 0.000 0.000 0.315 181 A C 0.584 177.956 177.584 -0.353 0.000 1.101 181 A CA 0.642 52.294 52.037 -0.641 0.000 0.771 181 A CB 0.943 19.598 19.000 -0.576 0.000 1.287 181 A HN 2.627 nan 8.150 nan 0.000 0.436 182 G N 0.577 109.185 108.800 -0.320 0.000 2.562 182 G HA2 0.109 4.069 3.960 0.000 0.000 0.250 182 G HA3 0.109 4.069 3.960 0.000 0.000 0.250 182 G C 1.223 175.939 174.900 -0.306 0.000 1.269 182 G CA 0.589 45.558 45.100 -0.217 0.000 0.919 182 G HN 2.073 nan 8.290 nan 0.000 0.574 183 G N -0.098 108.539 108.800 -0.271 0.000 2.485 183 G HA2 0.191 4.151 3.960 0.000 0.000 0.221 183 G HA3 0.191 4.151 3.960 0.000 0.000 0.221 183 G C 2.199 176.975 174.900 -0.205 0.000 1.115 183 G CA 2.990 47.977 45.100 -0.188 0.000 0.751 183 G HN 2.048 nan 8.290 nan 0.000 0.567 184 A N 0.836 123.386 122.820 -0.451 0.000 1.971 184 A HA -0.136 4.184 4.320 0.000 0.000 0.222 184 A C 2.745 180.316 177.584 -0.023 0.000 1.182 184 A CA 2.849 54.768 52.037 -0.197 0.000 0.649 184 A CB -1.004 17.957 19.000 -0.064 0.000 0.818 184 A HN 1.086 nan 8.150 nan 0.000 0.458 185 V N -3.872 115.908 119.914 -0.224 0.000 2.660 185 V HA -0.284 3.836 4.120 0.000 0.000 0.257 185 V C 2.143 178.129 176.094 -0.180 0.000 1.088 185 V CA 2.102 64.249 62.300 -0.254 0.000 1.106 185 V CB -1.451 30.115 31.823 -0.429 0.000 0.686 185 V HN 0.534 nan 8.190 nan 0.000 0.481 186 Y N 0.969 121.233 120.300 -0.061 0.000 2.439 186 Y HA 0.023 4.573 4.550 0.000 0.000 0.292 186 Y C 3.050 178.929 175.900 -0.036 0.000 1.130 186 Y CA 0.959 58.947 58.100 -0.186 0.000 1.254 186 Y CB -0.863 37.244 38.460 -0.588 0.000 1.000 186 Y HN 0.374 nan 8.280 nan 0.000 0.554 187 S N 0.094 116.034 115.700 0.400 0.000 2.345 187 S HA -0.087 4.383 4.470 0.000 0.000 0.220 187 S C -0.462 174.290 174.600 0.254 0.000 1.031 187 S CA 1.265 59.720 58.200 0.425 0.000 0.996 187 S CB -1.042 62.424 63.200 0.443 0.000 0.882 187 S HN 0.191 nan 8.310 nan 0.000 0.445 188 P HA 0.046 nan 4.420 nan 0.000 0.217 188 P C 1.438 178.808 177.300 0.116 0.000 1.150 188 P CA 1.439 64.631 63.100 0.153 0.000 0.832 188 P CB -0.221 31.546 31.700 0.112 0.000 0.787 189 A N -0.176 122.698 122.820 0.090 0.000 1.948 189 A HA -0.210 4.110 4.320 0.000 0.000 0.220 189 A C 2.045 179.672 177.584 0.070 0.000 1.177 189 A CA 1.664 53.743 52.037 0.069 0.000 0.636 189 A CB -1.489 17.570 19.000 0.097 0.000 0.815 189 A HN 0.075 nan 8.150 nan 0.000 0.449 190 I N 0.625 121.245 120.570 0.084 0.000 2.406 190 I HA -0.075 4.096 4.170 0.000 0.000 0.249 190 I C 1.757 177.922 176.117 0.080 0.000 1.122 190 I CA 1.280 62.621 61.300 0.067 0.000 1.431 190 I CB -2.176 35.873 38.000 0.082 0.000 1.087 190 I HN 0.474 nan 8.210 nan 0.000 0.424 191 T N -0.383 114.237 114.554 0.111 0.000 2.724 191 T HA -0.050 4.300 4.350 0.000 0.000 0.324 191 T C 1.032 175.752 174.700 0.035 0.000 1.071 191 T CA -0.102 62.062 62.100 0.105 0.000 1.061 191 T CB 0.963 69.915 68.868 0.140 0.000 0.990 191 T HN 0.182 nan 8.240 nan 0.000 0.543 192 D N -0.077 120.311 120.400 -0.019 0.000 2.162 192 D HA 0.088 4.728 4.640 0.000 0.000 0.203 192 D C -0.001 175.867 176.300 -0.719 0.000 0.967 192 D CA 1.202 55.026 54.000 -0.293 0.000 0.840 192 D CB 0.010 40.682 40.800 -0.214 0.000 0.972 192 D HN 0.488 nan 8.370 nan 0.000 0.482 193 F N -0.099 119.828 119.950 -0.038 0.000 2.569 193 F HA 0.308 4.835 4.527 0.000 0.000 0.312 193 F C -0.139 175.724 175.800 0.104 0.000 1.109 193 F CA -0.732 57.163 58.000 -0.174 0.000 0.919 193 F CB 2.362 41.317 39.000 -0.076 0.000 1.211 193 F HN -0.481 nan 8.300 nan 0.000 0.446 194 T N 2.757 117.620 114.554 0.516 0.000 2.809 194 T HA 0.532 4.882 4.350 0.000 0.000 0.284 194 T C -1.331 173.558 174.700 0.314 0.000 0.992 194 T CA -0.598 61.711 62.100 0.348 0.000 0.957 194 T CB 1.626 70.640 68.868 0.244 0.000 0.942 194 T HN 0.473 nan 8.240 nan 0.000 0.439 195 V N 5.896 125.937 119.914 0.212 0.000 2.448 195 V HA 0.720 4.840 4.120 0.000 0.000 0.295 195 V C -0.836 175.294 176.094 0.060 0.000 1.025 195 V CA -0.717 61.667 62.300 0.140 0.000 0.859 195 V CB 1.283 33.215 31.823 0.182 0.000 0.988 195 V HN 0.896 nan 8.190 nan 0.000 0.431 196 M N 5.355 124.949 119.600 -0.010 0.000 2.762 196 M HA 0.640 5.120 4.480 0.000 0.000 0.306 196 M C -1.128 175.120 176.300 -0.086 0.000 1.223 196 M CA -1.006 54.271 55.300 -0.038 0.000 0.896 196 M CB 2.327 34.902 32.600 -0.041 0.000 1.684 196 M HN 0.392 nan 8.290 nan 0.000 0.491 197 V N 0.822 120.687 119.914 -0.082 0.000 2.409 197 V HA 0.159 4.279 4.120 0.000 0.000 0.291 197 V C -0.698 175.327 176.094 -0.114 0.000 1.020 197 V CA -0.743 61.502 62.300 -0.091 0.000 0.848 197 V CB 1.570 33.360 31.823 -0.056 0.000 0.990 197 V HN 0.774 nan 8.190 nan 0.000 0.430 198 D N 4.972 125.300 120.400 -0.119 0.000 2.586 198 D HA -0.019 4.621 4.640 0.000 0.000 0.234 198 D C 0.786 177.032 176.300 -0.090 0.000 1.132 198 D CA 0.894 54.827 54.000 -0.111 0.000 0.860 198 D CB 0.449 41.191 40.800 -0.097 0.000 1.159 198 D HN 0.565 nan 8.370 nan 0.000 0.490 199 Q N 2.257 121.994 119.800 -0.105 0.000 2.457 199 Q HA -0.198 4.142 4.340 0.000 0.000 0.283 199 Q C 0.316 176.304 176.000 -0.020 0.000 1.234 199 Q CA 1.420 57.194 55.803 -0.047 0.000 0.877 199 Q CB -2.305 26.429 28.738 -0.007 0.000 1.250 199 Q HN 0.683 nan 8.270 nan 0.000 0.481 200 T N -2.781 111.721 114.554 -0.087 0.000 3.151 200 T HA 0.062 4.412 4.350 0.000 0.000 0.257 200 T C 0.209 174.880 174.700 -0.048 0.000 0.872 200 T CA 0.562 62.643 62.100 -0.031 0.000 0.873 200 T CB 0.590 69.434 68.868 -0.041 0.000 1.272 200 T HN 0.392 nan 8.240 nan 0.000 0.543 201 S N 1.386 116.970 115.700 -0.195 0.000 2.536 201 S HA 0.824 5.294 4.470 0.000 0.000 0.298 201 S C -1.471 172.897 174.600 -0.386 0.000 1.083 201 S CA -0.669 57.449 58.200 -0.138 0.000 0.995 201 S CB 1.726 64.882 63.200 -0.074 0.000 1.058 201 S HN 0.367 nan 8.310 nan 0.000 0.488 202 H N 0.386 119.523 119.070 0.111 0.000 2.894 202 H HA 0.624 5.180 4.556 0.000 0.000 0.367 202 H C -0.975 174.509 175.328 0.261 0.000 1.144 202 H CA -0.582 55.614 56.048 0.248 0.000 1.180 202 H CB 1.700 31.647 29.762 0.309 0.000 1.758 202 H HN 0.591 nan 8.280 nan 0.000 0.541 203 M N 3.492 123.368 119.600 0.460 0.000 2.327 203 M HA 0.522 5.002 4.480 0.000 0.000 0.298 203 M C -1.697 174.843 176.300 0.400 0.000 1.065 203 M CA -0.725 54.675 55.300 0.166 0.000 0.916 203 M CB 1.863 34.395 32.600 -0.113 0.000 1.630 203 M HN 0.605 nan 8.290 nan 0.000 0.442 204 F N 0.303 120.319 119.950 0.109 0.000 2.672 204 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 204 F C -0.560 175.240 175.800 0.001 0.000 1.113 204 F CA -1.120 56.940 58.000 0.100 0.000 0.996 204 F CB 0.491 39.593 39.000 0.169 0.000 1.286 204 F HN 0.354 nan 8.300 nan 0.000 0.441 205 I N 0.959 121.559 120.570 0.049 0.000 2.233 205 I HA -0.003 4.167 4.170 0.000 0.000 0.243 205 I C 0.773 176.941 176.117 0.086 0.000 1.093 205 I CA 1.353 62.618 61.300 -0.058 0.000 1.380 205 I CB -0.466 37.495 38.000 -0.065 0.000 1.067 205 I HN 0.719 nan 8.210 nan 0.000 0.413 206 T N 0.521 115.205 114.554 0.216 0.000 2.863 206 T HA 0.574 4.924 4.350 0.000 0.000 0.285 206 T C 0.228 175.116 174.700 0.312 0.000 1.009 206 T CA -0.586 61.644 62.100 0.216 0.000 0.989 206 T CB 2.038 70.969 68.868 0.105 0.000 1.004 206 T HN 0.291 nan 8.240 nan 0.000 0.455 207 G N 2.054 111.003 108.800 0.249 0.000 2.539 207 G HA2 0.374 4.334 3.960 0.000 0.000 0.258 207 G HA3 0.374 4.334 3.960 0.000 0.000 0.258 207 G C -1.658 173.150 174.900 -0.153 0.000 1.202 207 G CA -1.373 43.760 45.100 0.054 0.000 0.851 207 G HN 0.406 nan 8.290 nan 0.000 0.556 208 P HA -0.105 nan 4.420 nan 0.000 0.216 208 P C 0.886 178.050 177.300 -0.227 0.000 1.153 208 P CA 1.468 64.333 63.100 -0.393 0.000 0.858 208 P CB 0.207 31.491 31.700 -0.692 0.000 0.789 209 D N -1.009 119.281 120.400 -0.182 0.000 2.084 209 D HA -0.124 4.516 4.640 0.000 0.000 0.194 209 D C 1.912 178.176 176.300 -0.060 0.000 0.990 209 D CA 0.981 54.921 54.000 -0.100 0.000 0.826 209 D CB -1.028 39.737 40.800 -0.059 0.000 0.971 209 D HN -0.062 nan 8.370 nan 0.000 0.453 210 V N 0.839 120.731 119.914 -0.036 0.000 2.407 210 V HA -0.201 3.919 4.120 0.000 0.000 0.248 210 V C 2.280 178.360 176.094 -0.023 0.000 1.055 210 V CA 1.165 63.457 62.300 -0.014 0.000 1.049 210 V CB -0.431 31.399 31.823 0.013 0.000 0.662 210 V HN 0.267 nan 8.190 nan 0.000 0.455 211 I N -0.045 120.501 120.570 -0.040 0.000 2.226 211 I HA -0.239 3.931 4.170 0.000 0.000 0.245 211 I C 2.584 178.673 176.117 -0.047 0.000 1.100 211 I CA 1.582 62.858 61.300 -0.041 0.000 1.374 211 I CB -0.380 37.583 38.000 -0.061 0.000 1.057 211 I HN 0.278 nan 8.210 nan 0.000 0.413 212 K N 1.532 121.894 120.400 -0.064 0.000 1.985 212 K HA -0.186 4.134 4.320 0.000 0.000 0.210 212 K C 1.997 178.573 176.600 -0.039 0.000 1.047 212 K CA 2.446 58.698 56.287 -0.058 0.000 0.932 212 K CB -0.886 31.570 32.500 -0.073 0.000 0.716 212 K HN 0.367 nan 8.250 nan 0.000 0.439 213 T N -2.071 112.462 114.554 -0.034 0.000 3.155 213 T HA 0.017 4.367 4.350 0.000 0.000 0.264 213 T C 1.358 176.048 174.700 -0.016 0.000 1.160 213 T CA 0.926 63.012 62.100 -0.023 0.000 1.075 213 T CB -0.058 68.799 68.868 -0.019 0.000 0.921 213 T HN -0.007 nan 8.240 nan 0.000 0.533 214 V N 0.860 120.764 119.914 -0.017 0.000 3.371 214 V HA 0.165 4.285 4.120 0.000 0.000 0.246 214 V C 2.524 178.611 176.094 -0.011 0.000 1.303 214 V CA 0.993 63.287 62.300 -0.010 0.000 1.156 214 V CB 0.619 32.438 31.823 -0.006 0.000 0.929 214 V HN 0.730 nan 8.190 nan 0.000 0.459 215 T N -3.588 110.957 114.554 -0.016 0.000 3.003 215 T HA 0.374 4.724 4.350 0.000 0.000 0.261 215 T C 1.607 176.296 174.700 -0.019 0.000 1.003 215 T CA 1.171 63.263 62.100 -0.015 0.000 0.917 215 T CB 1.078 69.937 68.868 -0.015 0.000 1.084 215 T HN 0.907 nan 8.240 nan 0.000 0.522 216 G N 1.675 110.461 108.800 -0.024 0.000 2.267 216 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 216 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 216 G C -0.119 174.761 174.900 -0.033 0.000 0.998 216 G CA 0.206 45.290 45.100 -0.026 0.000 0.620 216 G HN 0.683 nan 8.290 nan 0.000 0.529 217 E N 1.185 121.364 120.200 -0.035 0.000 2.376 217 E HA 0.377 4.727 4.350 0.000 0.000 0.266 217 E C -0.676 175.887 176.600 -0.061 0.000 1.009 217 E CA 0.182 56.556 56.400 -0.043 0.000 0.902 217 E CB 0.743 30.419 29.700 -0.040 0.000 0.972 217 E HN 0.209 nan 8.360 nan 0.000 0.439 218 D N 3.532 123.893 120.400 -0.064 0.000 2.446 218 D HA 0.238 4.878 4.640 0.000 0.000 0.251 218 D C -1.235 175.008 176.300 -0.096 0.000 1.137 218 D CA -0.580 53.370 54.000 -0.084 0.000 0.890 218 D CB 0.690 41.449 40.800 -0.069 0.000 1.071 218 D HN 0.212 nan 8.370 nan 0.000 0.528 219 V N 0.855 120.690 119.914 -0.132 0.000 3.074 219 V HA 1.027 5.147 4.120 0.000 0.000 0.314 219 V C 0.656 176.621 176.094 -0.216 0.000 1.117 219 V CA -0.805 61.411 62.300 -0.140 0.000 1.014 219 V CB 1.458 33.208 31.823 -0.122 0.000 1.057 219 V HN 0.361 nan 8.190 nan 0.000 0.438 220 G N -0.260 108.430 108.800 -0.183 0.000 2.535 220 G HA2 0.490 4.450 3.960 0.000 0.000 0.303 220 G HA3 0.490 4.450 3.960 0.000 0.000 0.303 220 G C -0.157 174.584 174.900 -0.265 0.000 1.237 220 G CA -0.543 44.417 45.100 -0.233 0.000 0.986 220 G HN 0.640 nan 8.290 nan 0.000 0.494 221 F N -0.597 119.244 119.950 -0.183 0.000 2.134 221 F HA -0.011 4.516 4.527 0.000 0.000 0.299 221 F C 2.622 178.427 175.800 0.007 0.000 1.097 221 F CA 1.633 59.487 58.000 -0.244 0.000 1.264 221 F CB -0.099 38.619 39.000 -0.471 0.000 1.001 221 F HN 0.506 nan 8.300 nan 0.000 0.479 222 E N 0.701 121.052 120.200 0.253 0.000 2.051 222 E HA -0.252 4.098 4.350 0.000 0.000 0.192 222 E C 2.118 178.776 176.600 0.096 0.000 0.991 222 E CA 1.807 58.357 56.400 0.250 0.000 0.799 222 E CB -0.349 29.454 29.700 0.172 0.000 0.748 222 E HN 0.509 nan 8.360 nan 0.000 0.449 223 E N -0.632 119.585 120.200 0.028 0.000 2.072 223 E HA -0.176 4.174 4.350 0.000 0.000 0.191 223 E C 2.113 178.688 176.600 -0.042 0.000 0.985 223 E CA 1.018 57.407 56.400 -0.019 0.000 0.801 223 E CB -0.263 29.416 29.700 -0.035 0.000 0.750 223 E HN 0.280 nan 8.360 nan 0.000 0.452 224 L N 0.100 121.298 121.223 -0.042 0.000 1.955 224 L HA -0.002 4.338 4.340 0.000 0.000 0.213 224 L C 1.576 178.432 176.870 -0.022 0.000 1.072 224 L CA 2.487 57.299 54.840 -0.046 0.000 0.755 224 L CB -0.398 41.597 42.059 -0.107 0.000 0.888 224 L HN 0.204 nan 8.230 nan 0.000 0.432 225 G N -1.063 107.788 108.800 0.086 0.000 4.988 225 G HA2 0.468 4.428 3.960 0.000 0.000 0.227 225 G HA3 0.468 4.428 3.960 0.000 0.000 0.227 225 G C 0.170 175.182 174.900 0.186 0.000 0.955 225 G CA 0.059 45.212 45.100 0.088 0.000 0.784 225 G HN 0.659 nan 8.290 nan 0.000 0.537 226 G N -0.570 108.260 108.800 0.051 0.000 2.580 226 G HA2 0.524 4.484 3.960 0.000 0.000 0.278 226 G HA3 0.524 4.484 3.960 0.000 0.000 0.278 226 G C 1.310 176.161 174.900 -0.081 0.000 1.212 226 G CA 0.353 45.418 45.100 -0.058 0.000 0.939 226 G HN 0.583 nan 8.290 nan 0.000 0.513 227 A N 0.129 122.867 122.820 -0.136 0.000 1.873 227 A HA -0.155 4.165 4.320 0.000 0.000 0.218 227 A C 2.353 179.900 177.584 -0.062 0.000 1.193 227 A CA 2.163 54.153 52.037 -0.078 0.000 0.629 227 A CB -0.635 18.288 19.000 -0.127 0.000 0.826 227 A HN 0.695 nan 8.150 nan 0.000 0.447 228 R N -1.098 119.355 120.500 -0.078 0.000 2.083 228 R HA -0.144 4.196 4.340 0.000 0.000 0.237 228 R C 2.248 178.516 176.300 -0.053 0.000 1.137 228 R CA 2.179 58.243 56.100 -0.060 0.000 0.951 228 R CB -0.728 29.543 30.300 -0.050 0.000 0.851 228 R HN 0.522 nan 8.270 nan 0.000 0.434 229 T N 0.198 114.694 114.554 -0.096 0.000 2.684 229 T HA -0.158 4.192 4.350 0.000 0.000 0.267 229 T C 1.439 176.043 174.700 -0.160 0.000 1.036 229 T CA 1.489 63.498 62.100 -0.153 0.000 1.148 229 T CB -0.355 68.353 68.868 -0.268 0.000 0.863 229 T HN 0.408 nan 8.240 nan 0.000 0.436 230 H N 0.504 119.559 119.070 -0.025 0.000 2.547 230 H HA 0.160 4.716 4.556 0.000 0.000 0.272 230 H C 1.713 176.976 175.328 -0.108 0.000 0.989 230 H CA 0.649 56.659 56.048 -0.064 0.000 1.214 230 H CB -0.139 29.589 29.762 -0.056 0.000 1.389 230 H HN 0.361 nan 8.280 nan 0.000 0.577 231 N N -0.564 118.150 118.700 0.023 0.000 2.356 231 N HA -0.062 4.678 4.740 0.000 0.000 0.178 231 N C 1.368 176.924 175.510 0.076 0.000 1.075 231 N CA 0.710 53.757 53.050 -0.005 0.000 0.889 231 N CB 0.561 39.027 38.487 -0.035 0.000 0.999 231 N HN 0.184 nan 8.380 nan 0.000 0.464 232 S N -3.259 112.506 115.700 0.109 0.000 2.628 232 S HA 0.228 4.698 4.470 0.000 0.000 0.246 232 S C 1.285 176.062 174.600 0.295 0.000 1.062 232 S CA -0.171 58.153 58.200 0.206 0.000 1.028 232 S CB 0.467 63.724 63.200 0.095 0.000 0.985 232 S HN -0.021 nan 8.310 nan 0.000 0.551 233 T N 2.350 117.029 114.554 0.208 0.000 3.151 233 T HA 0.146 4.496 4.350 0.000 0.000 0.239 233 T C 2.091 176.938 174.700 0.245 0.000 0.979 233 T CA 0.975 63.198 62.100 0.205 0.000 1.194 233 T CB -0.247 68.664 68.868 0.071 0.000 0.982 233 T HN 0.543 nan 8.240 nan 0.000 0.428 234 S N 1.005 116.759 115.700 0.090 0.000 2.436 234 S HA 0.269 4.739 4.470 0.000 0.000 0.228 234 S C 1.931 176.380 174.600 -0.252 0.000 1.014 234 S CA 0.862 59.084 58.200 0.037 0.000 0.950 234 S CB -0.617 62.696 63.200 0.188 0.000 0.784 234 S HN 0.887 nan 8.310 nan 0.000 0.504 235 G N 0.688 109.073 108.800 -0.691 0.000 2.176 235 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 235 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 235 G C 0.657 175.154 174.900 -0.672 0.000 1.024 235 G CA 0.704 44.920 45.100 -1.473 0.000 0.755 235 G HN 1.471 nan 8.290 nan 0.000 0.507 236 V N -3.753 115.940 119.914 -0.367 0.000 3.125 236 V HA 0.759 4.879 4.120 0.000 0.000 0.249 236 V C 1.276 177.208 176.094 -0.269 0.000 1.113 236 V CA 1.452 63.590 62.300 -0.272 0.000 1.106 236 V CB 0.240 31.917 31.823 -0.244 0.000 0.768 236 V HN 1.722 nan 8.190 nan 0.000 0.468 237 A N -0.384 122.293 122.820 -0.238 0.000 2.325 237 A HA 0.724 5.044 4.320 0.000 0.000 0.333 237 A C 0.176 177.623 177.584 -0.229 0.000 1.155 237 A CA -0.315 51.641 52.037 -0.135 0.000 0.814 237 A CB 0.753 19.739 19.000 -0.023 0.000 1.206 237 A HN 0.548 nan 8.150 nan 0.000 0.482 238 H N -0.709 118.426 119.070 0.107 0.000 2.592 238 H HA 0.250 4.806 4.556 0.000 0.000 0.265 238 H C -0.137 175.258 175.328 0.111 0.000 0.955 238 H CA 1.239 57.391 56.048 0.172 0.000 1.175 238 H CB 0.292 30.290 29.762 0.393 0.000 1.433 238 H HN 0.789 nan 8.280 nan 0.000 0.537 239 H N -0.255 118.784 119.070 -0.051 0.000 3.094 239 H HA 0.338 4.894 4.556 0.000 0.000 0.346 239 H C -1.605 173.584 175.328 -0.232 0.000 1.238 239 H CA -0.977 54.886 56.048 -0.308 0.000 1.209 239 H CB 1.104 30.298 29.762 -0.946 0.000 1.911 239 H HN 0.066 nan 8.280 nan 0.000 0.540 240 M N 4.261 123.338 119.600 -0.871 0.000 2.085 240 M HA 0.724 5.204 4.480 0.000 0.000 0.309 240 M C -1.260 174.558 176.300 -0.802 0.000 0.947 240 M CA -0.661 54.283 55.300 -0.592 0.000 0.918 240 M CB 0.801 33.203 32.600 -0.329 0.000 1.504 240 M HN 0.723 nan 8.290 nan 0.000 0.420 241 A N 3.118 125.641 122.820 -0.494 0.000 2.286 241 A HA 0.668 4.988 4.320 0.000 0.000 0.286 241 A C 0.988 178.489 177.584 -0.138 0.000 1.097 241 A CA -0.086 51.803 52.037 -0.246 0.000 0.821 241 A CB 0.654 19.630 19.000 -0.041 0.000 1.076 241 A HN 1.054 nan 8.150 nan 0.000 0.490 242 G N -0.334 108.428 108.800 -0.063 0.000 2.464 242 G HA2 0.287 4.247 3.960 0.000 0.000 0.217 242 G HA3 0.287 4.247 3.960 0.000 0.000 0.217 242 G C 0.110 174.993 174.900 -0.028 0.000 1.138 242 G CA 1.213 46.287 45.100 -0.043 0.000 0.793 242 G HN 0.989 nan 8.290 nan 0.000 0.539 243 D N -3.080 117.313 120.400 -0.012 0.000 2.665 243 D HA 0.216 4.856 4.640 0.000 0.000 0.287 243 D C 0.537 176.842 176.300 0.008 0.000 1.266 243 D CA -0.739 53.259 54.000 -0.004 0.000 0.830 243 D CB 0.341 41.144 40.800 0.005 0.000 1.356 243 D HN -0.033 nan 8.370 nan 0.000 0.437 244 E N -0.263 119.942 120.200 0.008 0.000 2.110 244 E HA -0.189 4.161 4.350 0.000 0.000 0.193 244 E C 1.406 178.023 176.600 0.027 0.000 0.988 244 E CA 0.854 57.263 56.400 0.014 0.000 0.804 244 E CB 0.033 29.738 29.700 0.007 0.000 0.745 244 E HN 0.389 nan 8.360 nan 0.000 0.458 245 K N 0.755 121.171 120.400 0.026 0.000 2.032 245 K HA -0.188 4.132 4.320 0.000 0.000 0.209 245 K C 1.674 178.305 176.600 0.052 0.000 1.048 245 K CA 1.678 57.983 56.287 0.029 0.000 0.927 245 K CB 0.102 32.615 32.500 0.022 0.000 0.712 245 K HN 0.004 nan 8.250 nan 0.000 0.441 246 D N -0.000 120.439 120.400 0.066 0.000 2.144 246 D HA -0.111 4.529 4.640 0.000 0.000 0.200 246 D C 1.701 178.099 176.300 0.164 0.000 0.978 246 D CA 1.141 55.207 54.000 0.111 0.000 0.833 246 D CB -0.147 40.719 40.800 0.110 0.000 0.961 246 D HN 0.293 nan 8.370 nan 0.000 0.470 247 A N 0.612 123.507 122.820 0.126 0.000 1.902 247 A HA -0.139 4.181 4.320 0.000 0.000 0.217 247 A C 2.506 180.190 177.584 0.168 0.000 1.181 247 A CA 1.183 53.312 52.037 0.154 0.000 0.623 247 A CB -0.719 18.328 19.000 0.078 0.000 0.818 247 A HN 0.149 nan 8.150 nan 0.000 0.443 248 V N 0.149 120.123 119.914 0.100 0.000 2.427 248 V HA -0.217 3.903 4.120 0.000 0.000 0.248 248 V C 2.599 178.736 176.094 0.072 0.000 1.051 248 V CA 2.339 64.679 62.300 0.066 0.000 1.048 248 V CB -0.662 31.174 31.823 0.022 0.000 0.666 248 V HN 0.740 nan 8.190 nan 0.000 0.456 249 E N -0.107 120.146 120.200 0.089 0.000 2.110 249 E HA -0.260 4.090 4.350 0.000 0.000 0.193 249 E C 2.013 178.669 176.600 0.093 0.000 0.988 249 E CA 1.578 58.016 56.400 0.065 0.000 0.804 249 E CB -0.527 29.219 29.700 0.076 0.000 0.745 249 E HN 0.668 nan 8.360 nan 0.000 0.458 250 Y N -0.139 120.202 120.300 0.069 0.000 2.242 250 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 250 Y C 2.269 178.226 175.900 0.095 0.000 1.137 250 Y CA 1.730 59.907 58.100 0.128 0.000 1.181 250 Y CB -0.218 38.296 38.460 0.090 0.000 0.989 250 Y HN 0.087 nan 8.280 nan 0.000 0.527 251 V N 0.197 120.223 119.914 0.186 0.000 2.427 251 V HA -0.245 3.875 4.120 0.000 0.000 0.248 251 V C 1.971 178.025 176.094 -0.067 0.000 1.051 251 V CA 2.239 64.583 62.300 0.074 0.000 1.048 251 V CB -0.354 31.519 31.823 0.082 0.000 0.666 251 V HN 0.416 nan 8.190 nan 0.000 0.456 252 K N -0.585 119.766 120.400 -0.083 0.000 2.097 252 K HA -0.156 4.164 4.320 0.000 0.000 0.206 252 K C 2.378 178.816 176.600 -0.269 0.000 1.049 252 K CA 1.664 57.865 56.287 -0.143 0.000 0.933 252 K CB -0.271 32.162 32.500 -0.111 0.000 0.717 252 K HN 0.438 nan 8.250 nan 0.000 0.442 253 Q N 0.671 120.251 119.800 -0.368 0.000 2.050 253 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 253 Q C 2.240 177.815 176.000 -0.708 0.000 0.980 253 Q CA 1.140 56.535 55.803 -0.681 0.000 0.840 253 Q CB -0.363 27.750 28.738 -1.041 0.000 0.898 253 Q HN 0.198 nan 8.270 nan 0.000 0.424 254 L N 0.674 121.583 121.223 -0.522 0.000 2.012 254 L HA -0.177 4.163 4.340 0.000 0.000 0.210 254 L C 2.305 178.998 176.870 -0.294 0.000 1.073 254 L CA 1.514 56.158 54.840 -0.328 0.000 0.748 254 L CB -0.858 41.064 42.059 -0.228 0.000 0.891 254 L HN 0.180 nan 8.230 nan 0.000 0.431 255 L N -1.032 120.043 121.223 -0.247 0.000 2.083 255 L HA -0.213 4.127 4.340 0.000 0.000 0.209 255 L C 2.578 179.295 176.870 -0.255 0.000 1.083 255 L CA 1.412 56.126 54.840 -0.210 0.000 0.752 255 L CB -0.815 41.155 42.059 -0.149 0.000 0.899 255 L HN 0.477 nan 8.230 nan 0.000 0.433 256 S N -1.096 114.391 115.700 -0.354 0.000 2.469 256 S HA -0.193 4.277 4.470 0.000 0.000 0.238 256 S C 1.627 175.941 174.600 -0.476 0.000 0.998 256 S CA 0.917 58.867 58.200 -0.416 0.000 0.957 256 S CB -0.492 62.368 63.200 -0.567 0.000 0.764 256 S HN 0.446 nan 8.310 nan 0.000 0.514 257 Y N 1.060 121.138 120.300 -0.370 0.000 2.478 257 Y HA 0.521 5.071 4.550 0.000 0.000 0.261 257 Y C 0.740 176.404 175.900 -0.394 0.000 1.127 257 Y CA -0.496 57.349 58.100 -0.423 0.000 1.288 257 Y CB 0.136 38.124 38.460 -0.787 0.000 1.084 257 Y HN 0.203 nan 8.280 nan 0.000 0.530 258 L N 2.076 123.165 121.223 -0.222 0.000 2.330 258 L HA 0.446 4.786 4.340 0.000 0.000 0.271 258 L C -2.242 174.543 176.870 -0.142 0.000 1.013 258 L CA -2.276 52.447 54.840 -0.195 0.000 0.816 258 L CB 1.711 43.599 42.059 -0.286 0.000 1.287 258 L HN -0.224 nan 8.230 nan 0.000 0.435 259 P HA 0.151 nan 4.420 nan 0.000 0.277 259 P C -0.076 177.174 177.300 -0.082 0.000 1.271 259 P CA -0.429 62.644 63.100 -0.046 0.000 0.795 259 P CB 0.925 32.648 31.700 0.038 0.000 1.101 260 S N -0.636 115.037 115.700 -0.045 0.000 2.461 260 S HA -0.024 4.446 4.470 0.000 0.000 0.228 260 S C 0.755 175.346 174.600 -0.014 0.000 1.005 260 S CA 0.817 58.991 58.200 -0.045 0.000 0.942 260 S CB -0.703 62.478 63.200 -0.031 0.000 0.776 260 S HN 0.742 nan 8.310 nan 0.000 0.514 261 N N -0.270 118.458 118.700 0.047 0.000 3.227 261 N HA 0.140 4.880 4.740 0.000 0.000 0.241 261 N C -0.588 175.060 175.510 0.229 0.000 1.480 261 N CA -0.654 52.484 53.050 0.146 0.000 0.886 261 N CB -0.017 38.520 38.487 0.083 0.000 1.406 261 N HN -0.085 nan 8.380 nan 0.000 0.514 262 N N -0.561 118.291 118.700 0.253 0.000 2.571 262 N HA -0.005 4.735 4.740 0.000 0.000 0.189 262 N C 0.270 175.825 175.510 0.076 0.000 1.154 262 N CA 0.497 53.643 53.050 0.159 0.000 0.907 262 N CB -0.127 38.366 38.487 0.009 0.000 0.977 262 N HN 0.493 nan 8.380 nan 0.000 0.449 263 L N -0.465 120.796 121.223 0.063 0.000 2.492 263 L HA 0.254 4.594 4.340 0.000 0.000 0.223 263 L C 0.125 177.011 176.870 0.027 0.000 1.132 263 L CA 0.388 55.246 54.840 0.031 0.000 0.850 263 L CB -0.491 41.577 42.059 0.016 0.000 0.966 263 L HN 0.044 nan 8.230 nan 0.000 0.454 264 S N -1.591 114.135 115.700 0.042 0.000 2.634 264 S HA 0.424 4.894 4.470 0.000 0.000 0.296 264 S C -0.256 174.369 174.600 0.042 0.000 1.104 264 S CA -0.819 57.397 58.200 0.027 0.000 0.920 264 S CB 2.144 65.349 63.200 0.009 0.000 1.111 264 S HN 0.054 nan 8.310 nan 0.000 0.493 265 E N 2.322 122.537 120.200 0.025 0.000 2.349 265 E HA 0.251 4.601 4.350 0.000 0.000 0.262 265 E C -2.226 174.389 176.600 0.025 0.000 1.088 265 E CA -1.946 54.475 56.400 0.034 0.000 0.899 265 E CB 0.269 29.982 29.700 0.022 0.000 1.044 265 E HN 0.298 nan 8.360 nan 0.000 0.420 266 P HA -0.008 nan 4.420 nan 0.000 0.266 266 P C -2.483 174.808 177.300 -0.015 0.000 1.193 266 P CA -0.876 62.236 63.100 0.020 0.000 0.770 266 P CB -0.366 31.367 31.700 0.055 0.000 0.836 267 P HA 0.160 nan 4.420 nan 0.000 0.266 267 P C -0.786 176.453 177.300 -0.100 0.000 1.195 267 P CA 0.280 63.315 63.100 -0.109 0.000 0.768 267 P CB 0.527 32.167 31.700 -0.099 0.000 0.838 268 A N 2.491 125.173 122.820 -0.230 0.000 2.527 268 A HA 0.769 5.089 4.320 0.000 0.000 0.293 268 A C -1.473 175.846 177.584 -0.441 0.000 1.117 268 A CA -0.580 51.367 52.037 -0.150 0.000 0.723 268 A CB 1.150 20.118 19.000 -0.054 0.000 1.313 268 A HN 0.368 nan 8.150 nan 0.000 0.411 269 F N 1.570 121.513 119.950 -0.011 0.000 2.769 269 F HA 0.309 4.836 4.527 0.000 0.000 0.358 269 F C -2.149 173.653 175.800 0.002 0.000 1.285 269 F CA -1.603 56.390 58.000 -0.012 0.000 1.199 269 F CB 1.556 40.541 39.000 -0.026 0.000 1.558 269 F HN 0.300 nan 8.300 nan 0.000 0.583 270 P HA -0.034 nan 4.420 nan 0.000 0.260 270 P C -0.819 176.530 177.300 0.082 0.000 1.172 270 P CA 0.497 63.640 63.100 0.071 0.000 0.760 270 P CB 0.641 32.359 31.700 0.030 0.000 0.773 271 E N 1.290 121.536 120.200 0.076 0.000 2.294 271 E HA 0.291 4.641 4.350 0.000 0.000 0.272 271 E C -0.873 175.759 176.600 0.054 0.000 0.896 271 E CA -0.939 55.499 56.400 0.063 0.000 0.802 271 E CB 1.289 31.030 29.700 0.067 0.000 1.267 271 E HN 0.361 nan 8.360 nan 0.000 0.406 272 E N 2.498 122.723 120.200 0.042 0.000 2.376 272 E HA 0.274 4.624 4.350 0.000 0.000 0.266 272 E C -0.604 176.018 176.600 0.037 0.000 1.009 272 E CA -0.111 56.311 56.400 0.037 0.000 0.902 272 E CB 0.730 30.447 29.700 0.028 0.000 0.972 272 E HN 0.602 nan 8.360 nan 0.000 0.439 273 A N 4.461 127.305 122.820 0.039 0.000 2.302 273 A HA 0.120 4.440 4.320 0.000 0.000 0.285 273 A C -0.160 177.442 177.584 0.029 0.000 1.105 273 A CA -0.594 51.466 52.037 0.039 0.000 0.816 273 A CB 0.827 19.856 19.000 0.049 0.000 1.067 273 A HN 0.741 nan 8.150 nan 0.000 0.489 274 D N 1.751 122.167 120.400 0.026 0.000 2.317 274 D HA 0.200 4.840 4.640 0.000 0.000 0.252 274 D C 0.413 176.724 176.300 0.019 0.000 1.174 274 D CA 0.015 54.026 54.000 0.019 0.000 0.866 274 D CB 0.731 41.540 40.800 0.016 0.000 1.127 274 D HN 0.450 nan 8.370 nan 0.000 0.467 275 L N 2.665 123.896 121.223 0.013 0.000 2.627 275 L HA 0.197 4.537 4.340 0.000 0.000 0.232 275 L C 0.990 177.863 176.870 0.005 0.000 1.150 275 L CA -0.259 54.586 54.840 0.009 0.000 0.917 275 L CB -0.130 41.928 42.059 -0.001 0.000 1.104 275 L HN 0.301 nan 8.230 nan 0.000 0.445 276 A N 0.860 123.685 122.820 0.007 0.000 2.366 276 A HA 0.422 4.742 4.320 0.000 0.000 0.272 276 A C 0.339 177.929 177.584 0.009 0.000 1.135 276 A CA -0.457 51.583 52.037 0.005 0.000 0.804 276 A CB 0.524 19.527 19.000 0.005 0.000 1.064 276 A HN 0.095 nan 8.150 nan 0.000 0.499 277 V N 2.420 122.338 119.914 0.007 0.000 2.540 277 V HA 0.434 4.554 4.120 0.000 0.000 0.297 277 V C 0.612 176.713 176.094 0.013 0.000 1.024 277 V CA 0.301 62.608 62.300 0.012 0.000 1.105 277 V CB -0.611 31.216 31.823 0.006 0.000 0.938 277 V HN 1.070 nan 8.190 nan 0.000 0.482 278 T N 0.957 115.522 114.554 0.019 0.000 2.897 278 T HA 0.352 4.702 4.350 0.000 0.000 0.278 278 T C 0.665 175.377 174.700 0.021 0.000 0.981 278 T CA -0.168 61.941 62.100 0.016 0.000 0.973 278 T CB 1.415 70.291 68.868 0.012 0.000 1.092 278 T HN 0.639 nan 8.240 nan 0.000 0.543 279 D N 0.352 120.762 120.400 0.018 0.000 2.178 279 D HA -0.072 4.568 4.640 0.000 0.000 0.201 279 D C 1.870 178.198 176.300 0.047 0.000 0.980 279 D CA 1.211 55.226 54.000 0.024 0.000 0.842 279 D CB -0.034 40.778 40.800 0.019 0.000 0.948 279 D HN 0.649 nan 8.370 nan 0.000 0.472 280 E N 0.996 121.221 120.200 0.042 0.000 2.051 280 E HA -0.136 4.214 4.350 0.000 0.000 0.192 280 E C 1.703 178.425 176.600 0.204 0.000 0.991 280 E CA 0.870 57.313 56.400 0.072 0.000 0.799 280 E CB -0.190 29.450 29.700 -0.101 0.000 0.748 280 E HN 0.194 nan 8.360 nan 0.000 0.449 281 D N 0.300 120.777 120.400 0.128 0.000 2.116 281 D HA -0.206 4.434 4.640 0.000 0.000 0.193 281 D C 1.851 178.193 176.300 0.071 0.000 0.998 281 D CA 1.688 55.765 54.000 0.129 0.000 0.836 281 D CB -0.450 40.389 40.800 0.065 0.000 0.951 281 D HN 0.225 nan 8.370 nan 0.000 0.449 282 A N 0.965 123.809 122.820 0.040 0.000 1.978 282 A HA -0.237 4.083 4.320 0.000 0.000 0.220 282 A C 2.020 179.594 177.584 -0.016 0.000 1.170 282 A CA 1.658 53.693 52.037 -0.003 0.000 0.636 282 A CB -0.627 18.374 19.000 0.002 0.000 0.810 282 A HN 0.273 nan 8.150 nan 0.000 0.448 283 E N -0.753 119.469 120.200 0.037 0.000 2.209 283 E HA -0.192 4.158 4.350 0.000 0.000 0.196 283 E C 1.537 178.082 176.600 -0.092 0.000 0.993 283 E CA 0.893 57.300 56.400 0.013 0.000 0.819 283 E CB -0.220 29.556 29.700 0.126 0.000 0.745 283 E HN 0.442 nan 8.360 nan 0.000 0.477 284 L N 1.200 122.340 121.223 -0.139 0.000 2.275 284 L HA -0.143 4.197 4.340 0.000 0.000 0.215 284 L C 1.507 178.170 176.870 -0.346 0.000 1.119 284 L CA 1.519 56.207 54.840 -0.254 0.000 0.790 284 L CB -0.299 41.602 42.059 -0.262 0.000 0.919 284 L HN 0.040 nan 8.230 nan 0.000 0.443 285 D N -1.252 118.992 120.400 -0.261 0.000 2.264 285 D HA -0.091 4.549 4.640 0.000 0.000 0.208 285 D C 1.690 177.888 176.300 -0.171 0.000 0.966 285 D CA 1.626 55.475 54.000 -0.250 0.000 0.864 285 D CB 0.179 40.878 40.800 -0.168 0.000 0.933 285 D HN 0.455 nan 8.370 nan 0.000 0.499 286 T N -2.447 112.031 114.554 -0.127 0.000 3.040 286 T HA 0.202 4.552 4.350 0.000 0.000 0.266 286 T C 1.822 176.479 174.700 -0.072 0.000 1.005 286 T CA -0.357 61.695 62.100 -0.080 0.000 0.906 286 T CB -0.049 68.791 68.868 -0.046 0.000 1.082 286 T HN 0.045 nan 8.240 nan 0.000 0.531 287 I N 1.845 122.356 120.570 -0.098 0.000 2.454 287 I HA 0.035 4.205 4.170 0.000 0.000 0.254 287 I C -0.119 175.914 176.117 -0.139 0.000 1.156 287 I CA 0.773 62.023 61.300 -0.083 0.000 1.433 287 I CB 0.224 38.176 38.000 -0.081 0.000 1.082 287 I HN 0.065 nan 8.210 nan 0.000 0.432 288 V N 4.558 124.372 119.914 -0.167 0.000 2.385 288 V HA 0.230 4.350 4.120 0.000 0.000 0.269 288 V C -1.862 174.199 176.094 -0.055 0.000 1.043 288 V CA -1.322 60.858 62.300 -0.201 0.000 0.906 288 V CB 0.410 32.151 31.823 -0.136 0.000 0.995 288 V HN 0.204 nan 8.190 nan 0.000 0.467 289 P HA 0.217 nan 4.420 nan 0.000 0.274 289 P C 0.029 177.350 177.300 0.036 0.000 1.231 289 P CA -0.333 62.786 63.100 0.032 0.000 0.790 289 P CB 1.243 32.981 31.700 0.064 0.000 0.951 290 D N -0.330 120.089 120.400 0.031 0.000 2.123 290 D HA -0.110 4.530 4.640 0.000 0.000 0.196 290 D C 0.979 177.306 176.300 0.045 0.000 0.992 290 D CA 1.411 55.431 54.000 0.034 0.000 0.833 290 D CB -0.541 40.276 40.800 0.027 0.000 0.954 290 D HN 0.328 nan 8.370 nan 0.000 0.455 291 S N -0.497 115.231 115.700 0.046 0.000 2.531 291 S HA 0.356 4.826 4.470 0.000 0.000 0.279 291 S C 1.120 175.758 174.600 0.065 0.000 1.305 291 S CA -0.129 58.101 58.200 0.049 0.000 1.058 291 S CB 1.261 64.486 63.200 0.041 0.000 0.899 291 S HN 0.178 nan 8.310 nan 0.000 0.493 292 A N 5.110 127.970 122.820 0.066 0.000 2.121 292 A HA -0.029 4.291 4.320 0.000 0.000 0.218 292 A C 1.781 179.406 177.584 0.068 0.000 1.154 292 A CA 0.993 53.078 52.037 0.080 0.000 0.679 292 A CB -0.364 18.683 19.000 0.078 0.000 0.795 292 A HN 0.889 nan 8.150 nan 0.000 0.458 293 N N -0.545 118.184 118.700 0.049 0.000 2.373 293 N HA -0.015 4.725 4.740 0.000 0.000 0.181 293 N C 0.564 176.098 175.510 0.040 0.000 1.082 293 N CA 0.194 53.264 53.050 0.033 0.000 0.885 293 N CB 0.137 38.635 38.487 0.018 0.000 0.977 293 N HN 0.667 nan 8.380 nan 0.000 0.462 294 Q N 1.770 121.606 119.800 0.060 0.000 2.296 294 Q HA 0.281 4.621 4.340 0.000 0.000 0.257 294 Q C -2.484 173.584 176.000 0.115 0.000 0.942 294 Q CA -1.743 54.101 55.803 0.069 0.000 0.939 294 Q CB 1.474 30.252 28.738 0.067 0.000 1.198 294 Q HN 0.015 nan 8.270 nan 0.000 0.429 295 P HA 0.257 nan 4.420 nan 0.000 0.284 295 P C -1.637 175.769 177.300 0.178 0.000 1.292 295 P CA -0.188 62.964 63.100 0.086 0.000 0.800 295 P CB 0.455 32.135 31.700 -0.032 0.000 1.188 296 Y N -3.398 116.914 120.300 0.020 0.000 2.625 296 Y HA 0.627 5.177 4.550 0.000 0.000 0.338 296 Y C -1.096 174.814 175.900 0.016 0.000 1.123 296 Y CA -1.685 56.429 58.100 0.023 0.000 1.046 296 Y CB 0.171 38.651 38.460 0.033 0.000 1.299 296 Y HN 0.091 nan 8.280 nan 0.000 0.464 297 D N 1.841 122.288 120.400 0.078 0.000 2.339 297 D HA 0.127 4.767 4.640 0.000 0.000 0.241 297 D C 0.690 176.998 176.300 0.012 0.000 1.183 297 D CA -0.247 53.761 54.000 0.013 0.000 0.859 297 D CB 1.407 42.276 40.800 0.114 0.000 1.067 297 D HN 0.742 nan 8.370 nan 0.000 0.484 298 M N 4.166 123.655 119.600 -0.185 0.000 2.358 298 M HA -0.128 4.353 4.480 0.000 0.000 0.264 298 M C 1.336 177.509 176.300 -0.212 0.000 1.064 298 M CA 1.465 56.649 55.300 -0.194 0.000 1.093 298 M CB -0.275 32.141 32.600 -0.307 0.000 1.401 298 M HN 0.474 nan 8.290 nan 0.000 0.440 299 H N -1.438 117.580 119.070 -0.086 0.000 2.352 299 H HA -0.118 4.438 4.556 0.000 0.000 0.299 299 H C 2.344 177.642 175.328 -0.050 0.000 1.097 299 H CA 1.870 57.875 56.048 -0.071 0.000 1.311 299 H CB -0.681 29.115 29.762 0.057 0.000 1.377 299 H HN 0.480 nan 8.280 nan 0.000 0.504 300 S N 0.107 115.894 115.700 0.145 0.000 2.359 300 S HA -0.124 4.346 4.470 0.000 0.000 0.224 300 S C 2.454 177.087 174.600 0.055 0.000 1.035 300 S CA 1.421 59.703 58.200 0.137 0.000 1.018 300 S CB -0.492 62.766 63.200 0.097 0.000 0.876 300 S HN 0.139 nan 8.310 nan 0.000 0.448 301 V N 2.199 122.090 119.914 -0.038 0.000 2.255 301 V HA -0.196 3.924 4.120 0.000 0.000 0.247 301 V C 2.330 178.288 176.094 -0.227 0.000 1.051 301 V CA 2.195 64.445 62.300 -0.084 0.000 1.018 301 V CB -0.708 31.067 31.823 -0.080 0.000 0.641 301 V HN 0.521 nan 8.190 nan 0.000 0.445 302 I N -0.142 120.137 120.570 -0.485 0.000 2.127 302 I HA -0.298 3.872 4.170 0.000 0.000 0.241 302 I C 2.560 178.549 176.117 -0.213 0.000 1.075 302 I CA 1.931 62.846 61.300 -0.642 0.000 1.334 302 I CB -0.496 37.000 38.000 -0.840 0.000 1.040 302 I HN 0.385 nan 8.210 nan 0.000 0.405 303 E N -0.332 119.845 120.200 -0.037 0.000 2.265 303 E HA -0.242 4.108 4.350 0.000 0.000 0.196 303 E C 1.851 178.528 176.600 0.129 0.000 0.996 303 E CA 0.967 57.426 56.400 0.098 0.000 0.832 303 E CB -0.131 29.664 29.700 0.158 0.000 0.756 303 E HN 0.556 nan 8.360 nan 0.000 0.491 304 H N -1.173 117.911 119.070 0.023 0.000 2.546 304 H HA -0.041 4.515 4.556 0.000 0.000 0.277 304 H C 1.860 177.240 175.328 0.087 0.000 1.004 304 H CA 1.077 57.161 56.048 0.061 0.000 1.231 304 H CB 0.335 30.142 29.762 0.075 0.000 1.382 304 H HN 0.150 nan 8.280 nan 0.000 0.580 305 V N -2.862 117.166 119.914 0.190 0.000 3.523 305 V HA 0.226 4.346 4.120 0.000 0.000 0.255 305 V C 0.726 176.916 176.094 0.161 0.000 1.226 305 V CA -0.056 62.362 62.300 0.197 0.000 1.092 305 V CB 0.008 32.001 31.823 0.284 0.000 0.817 305 V HN 0.015 nan 8.190 nan 0.000 0.458 306 L N 2.034 123.339 121.223 0.138 0.000 2.395 306 L HA 0.412 4.752 4.340 0.000 0.000 0.269 306 L C -0.048 176.899 176.870 0.128 0.000 1.133 306 L CA -0.489 54.440 54.840 0.149 0.000 0.812 306 L CB 0.305 42.464 42.059 0.166 0.000 1.125 306 L HN 0.167 nan 8.230 nan 0.000 0.452 307 D N 2.275 122.756 120.400 0.136 0.000 2.525 307 D HA -0.075 4.565 4.640 0.000 0.000 0.235 307 D C 0.525 176.883 176.300 0.096 0.000 1.137 307 D CA 0.579 54.644 54.000 0.107 0.000 0.868 307 D CB 0.435 41.303 40.800 0.113 0.000 1.180 307 D HN 0.529 nan 8.370 nan 0.000 0.465 308 D N 1.486 121.924 120.400 0.063 0.000 3.059 308 D HA -0.300 4.340 4.640 0.000 0.000 0.222 308 D C 0.613 176.947 176.300 0.057 0.000 1.185 308 D CA 1.198 55.227 54.000 0.049 0.000 0.904 308 D CB -1.133 39.697 40.800 0.048 0.000 1.122 308 D HN 0.722 nan 8.370 nan 0.000 0.410 309 A N -0.596 122.264 122.820 0.066 0.000 2.832 309 A HA -0.295 4.025 4.320 0.000 0.000 0.280 309 A C 0.294 177.959 177.584 0.136 0.000 1.464 309 A CA 1.829 53.912 52.037 0.077 0.000 0.804 309 A CB -1.598 17.415 19.000 0.022 0.000 1.020 309 A HN 0.354 nan 8.150 nan 0.000 0.563 310 E N -0.713 119.588 120.200 0.167 0.000 2.130 310 E HA 0.610 4.960 4.350 0.000 0.000 0.284 310 E C -0.634 176.169 176.600 0.338 0.000 1.018 310 E CA -0.246 56.285 56.400 0.217 0.000 0.817 310 E CB 0.350 30.165 29.700 0.192 0.000 1.078 310 E HN 0.568 nan 8.360 nan 0.000 0.396 311 F N 5.965 126.005 119.950 0.149 0.000 2.445 311 F HA 0.381 4.908 4.527 0.000 0.000 0.348 311 F C -1.681 174.228 175.800 0.183 0.000 1.125 311 F CA -1.745 56.344 58.000 0.149 0.000 0.983 311 F CB 0.394 39.464 39.000 0.116 0.000 1.198 311 F HN 0.329 nan 8.300 nan 0.000 0.436 312 F N 6.520 126.329 119.950 -0.235 0.000 2.377 312 F HA 0.330 4.857 4.527 0.000 0.000 0.360 312 F C 0.278 175.663 175.800 -0.692 0.000 1.147 312 F CA -0.334 57.454 58.000 -0.353 0.000 1.170 312 F CB 0.097 39.028 39.000 -0.115 0.000 1.339 312 F HN 0.601 nan 8.300 nan 0.000 0.552 313 E N 3.462 122.973 120.200 -1.148 0.000 2.343 313 E HA 0.350 4.700 4.350 0.000 0.000 0.269 313 E C -0.542 175.703 176.600 -0.592 0.000 1.047 313 E CA -0.418 55.391 56.400 -0.984 0.000 0.874 313 E CB 0.933 30.191 29.700 -0.738 0.000 1.033 313 E HN 0.625 nan 8.360 nan 0.000 0.409 314 T N 0.806 115.148 114.554 -0.352 0.000 2.908 314 T HA 0.241 4.591 4.350 0.000 0.000 0.290 314 T C -0.305 174.400 174.700 0.008 0.000 1.034 314 T CA -0.806 61.246 62.100 -0.081 0.000 1.010 314 T CB 1.442 70.334 68.868 0.039 0.000 1.068 314 T HN 0.651 nan 8.240 nan 0.000 0.481 315 Q N 0.034 119.908 119.800 0.123 0.000 2.435 315 Q HA -0.138 4.202 4.340 0.000 0.000 0.312 315 Q C -1.887 174.167 176.000 0.091 0.000 1.333 315 Q CA 0.299 56.169 55.803 0.110 0.000 0.883 315 Q CB -1.588 27.232 28.738 0.137 0.000 1.170 315 Q HN 0.623 nan 8.270 nan 0.000 0.443 316 P HA -0.161 nan 4.420 nan 0.000 0.217 316 P C 1.012 178.356 177.300 0.072 0.000 1.150 316 P CA 1.051 64.184 63.100 0.056 0.000 0.832 316 P CB 0.168 31.888 31.700 0.034 0.000 0.787 317 L N -3.436 117.834 121.223 0.077 0.000 2.558 317 L HA 0.121 4.461 4.340 0.000 0.000 0.225 317 L C 0.785 177.738 176.870 0.139 0.000 1.128 317 L CA -0.131 54.759 54.840 0.082 0.000 0.868 317 L CB -0.270 41.820 42.059 0.052 0.000 1.006 317 L HN -0.048 nan 8.230 nan 0.000 0.454 318 F N 0.777 120.713 119.950 -0.022 0.000 2.443 318 F HA 0.588 5.115 4.527 0.000 0.000 0.335 318 F C 0.794 176.566 175.800 -0.047 0.000 1.104 318 F CA -1.169 56.810 58.000 -0.036 0.000 1.013 318 F CB 1.127 40.102 39.000 -0.042 0.000 1.136 318 F HN -0.047 nan 8.300 nan 0.000 0.470 319 A N 5.707 128.078 122.820 -0.748 0.000 2.154 319 A HA -0.192 4.128 4.320 0.000 0.000 0.274 319 A C -2.097 175.332 177.584 -0.258 0.000 1.373 319 A CA 0.424 52.109 52.037 -0.588 0.000 0.751 319 A CB -1.795 16.841 19.000 -0.607 0.000 1.149 319 A HN 0.648 nan 8.150 nan 0.000 0.337 320 P HA -0.153 nan 4.420 nan 0.000 0.228 320 P C 1.262 178.550 177.300 -0.020 0.000 1.151 320 P CA 1.276 64.362 63.100 -0.023 0.000 0.770 320 P CB -0.108 31.634 31.700 0.069 0.000 0.786 321 N N -0.494 118.153 118.700 -0.088 0.000 2.550 321 N HA -0.065 4.675 4.740 0.000 0.000 0.186 321 N C 0.405 175.868 175.510 -0.078 0.000 1.110 321 N CA 0.517 53.535 53.050 -0.053 0.000 0.912 321 N CB -0.063 38.360 38.487 -0.108 0.000 0.968 321 N HN 0.251 nan 8.380 nan 0.000 0.448 322 I N 0.358 120.878 120.570 -0.083 0.000 2.619 322 I HA 0.325 4.495 4.170 0.000 0.000 0.292 322 I C -1.416 174.671 176.117 -0.051 0.000 1.100 322 I CA -0.928 60.333 61.300 -0.064 0.000 1.043 322 I CB 2.019 39.992 38.000 -0.045 0.000 1.239 322 I HN -0.174 nan 8.210 nan 0.000 0.420 323 L N 6.387 127.576 121.223 -0.057 0.000 2.295 323 L HA 0.627 4.967 4.340 0.000 0.000 0.285 323 L C -0.282 176.574 176.870 -0.024 0.000 1.035 323 L CA -0.483 54.344 54.840 -0.022 0.000 0.806 323 L CB 1.712 43.724 42.059 -0.079 0.000 1.214 323 L HN 0.581 nan 8.230 nan 0.000 0.426 324 T N -0.612 113.888 114.554 -0.089 0.000 2.900 324 T HA 0.939 5.289 4.350 0.000 0.000 0.295 324 T C -0.152 174.258 174.700 -0.484 0.000 1.044 324 T CA -0.519 61.302 62.100 -0.464 0.000 0.995 324 T CB 2.517 70.915 68.868 -0.784 0.000 1.072 324 T HN 0.963 nan 8.240 nan 0.000 0.473 325 G N 0.627 108.980 108.800 -0.745 0.000 2.327 325 G HA2 0.458 4.418 3.960 0.000 0.000 0.291 325 G HA3 0.458 4.418 3.960 0.000 0.000 0.291 325 G C -2.125 172.664 174.900 -0.185 0.000 1.290 325 G CA -0.976 43.861 45.100 -0.438 0.000 0.857 325 G HN 0.634 nan 8.290 nan 0.000 0.520 326 F N -0.275 119.751 119.950 0.127 0.000 2.594 326 F HA 0.931 5.458 4.527 0.000 0.000 0.335 326 F C 0.993 176.727 175.800 -0.110 0.000 1.058 326 F CA 0.396 58.324 58.000 -0.120 0.000 0.981 326 F CB 2.272 40.752 39.000 -0.866 0.000 1.289 326 F HN 1.039 nan 8.300 nan 0.000 0.490 327 G N 0.171 109.038 108.800 0.111 0.000 2.490 327 G HA2 0.653 4.613 3.960 0.000 0.000 0.308 327 G HA3 0.653 4.613 3.960 0.000 0.000 0.308 327 G C -1.903 173.219 174.900 0.369 0.000 1.286 327 G CA -1.067 44.207 45.100 0.290 0.000 0.825 327 G HN 0.492 nan 8.290 nan 0.000 0.479 328 R N -1.360 119.338 120.500 0.330 0.000 2.698 328 R HA 0.668 5.008 4.340 0.000 0.000 0.275 328 R C -1.683 174.742 176.300 0.209 0.000 1.001 328 R CA -0.790 55.478 56.100 0.279 0.000 0.896 328 R CB 2.798 33.257 30.300 0.264 0.000 1.218 328 R HN 0.353 nan 8.270 nan 0.000 0.462 329 V N 2.243 122.266 119.914 0.181 0.000 2.482 329 V HA 0.188 4.308 4.120 0.000 0.000 0.295 329 V C 0.066 176.234 176.094 0.124 0.000 1.026 329 V CA -0.565 61.824 62.300 0.148 0.000 0.856 329 V CB 1.288 33.200 31.823 0.148 0.000 1.001 329 V HN 0.903 nan 8.190 nan 0.000 0.424 330 E N 3.502 123.767 120.200 0.108 0.000 2.476 330 E HA -0.288 4.062 4.350 0.000 0.000 0.251 330 E C 1.245 177.907 176.600 0.103 0.000 1.130 330 E CA 0.679 57.134 56.400 0.091 0.000 0.736 330 E CB -1.203 28.543 29.700 0.077 0.000 1.298 330 E HN 1.565 nan 8.360 nan 0.000 0.400 331 G N 0.154 109.028 108.800 0.124 0.000 2.179 331 G HA2 -0.371 3.589 3.960 0.000 0.000 0.260 331 G HA3 -0.371 3.589 3.960 0.000 0.000 0.260 331 G C 0.192 175.186 174.900 0.157 0.000 0.977 331 G CA 0.565 45.757 45.100 0.153 0.000 0.641 331 G HN 0.273 nan 8.290 nan 0.000 0.533 332 R N 0.891 121.475 120.500 0.141 0.000 2.255 332 R HA 0.435 4.775 4.340 0.000 0.000 0.326 332 R C -2.687 173.723 176.300 0.184 0.000 0.986 332 R CA -1.977 54.204 56.100 0.134 0.000 0.847 332 R CB 1.323 31.685 30.300 0.103 0.000 1.111 332 R HN 0.073 nan 8.270 nan 0.000 0.452 333 P HA -0.081 nan 4.420 nan 0.000 0.264 333 P C -0.742 176.722 177.300 0.273 0.000 1.183 333 P CA 0.029 63.309 63.100 0.300 0.000 0.763 333 P CB 0.684 32.544 31.700 0.267 0.000 0.807 334 V N 0.433 120.544 119.914 0.328 0.000 3.049 334 V HA 0.931 5.051 4.120 0.000 0.000 0.309 334 V C -0.203 176.139 176.094 0.414 0.000 1.148 334 V CA -0.912 61.576 62.300 0.313 0.000 0.990 334 V CB 1.948 33.920 31.823 0.250 0.000 1.039 334 V HN 0.600 nan 8.190 nan 0.000 0.430 335 G N 1.547 110.559 108.800 0.355 0.000 2.434 335 G HA2 0.766 4.726 3.960 0.000 0.000 0.330 335 G HA3 0.766 4.726 3.960 0.000 0.000 0.330 335 G C -1.407 173.702 174.900 0.349 0.000 1.155 335 G CA -0.750 44.551 45.100 0.335 0.000 0.917 335 G HN 0.732 nan 8.290 nan 0.000 0.493 336 I N -0.321 120.486 120.570 0.395 0.000 2.689 336 I HA 0.536 4.706 4.170 0.000 0.000 0.299 336 I C -0.435 175.828 176.117 0.243 0.000 1.059 336 I CA -0.890 60.585 61.300 0.291 0.000 1.055 336 I CB 2.517 40.600 38.000 0.138 0.000 1.243 336 I HN 0.221 nan 8.210 nan 0.000 0.425 337 V N 3.756 123.813 119.914 0.238 0.000 2.668 337 V HA 0.933 5.053 4.120 0.000 0.000 0.304 337 V C -0.791 175.408 176.094 0.175 0.000 1.071 337 V CA -0.518 61.894 62.300 0.186 0.000 0.894 337 V CB 1.653 33.639 31.823 0.271 0.000 1.008 337 V HN 0.922 nan 8.190 nan 0.000 0.425 338 A N 3.930 126.799 122.820 0.082 0.000 2.540 338 A HA 0.713 5.033 4.320 0.000 0.000 0.297 338 A C -0.874 176.693 177.584 -0.029 0.000 1.056 338 A CA -0.798 51.272 52.037 0.056 0.000 0.700 338 A CB 1.219 20.227 19.000 0.014 0.000 1.280 338 A HN 0.839 nan 8.150 nan 0.000 0.398 339 N N 1.113 119.793 118.700 -0.033 0.000 2.518 339 N HA 0.402 5.142 4.740 0.000 0.000 0.266 339 N C -0.264 175.167 175.510 -0.131 0.000 1.196 339 N CA -0.000 53.007 53.050 -0.071 0.000 0.947 339 N CB 0.694 39.145 38.487 -0.060 0.000 1.098 339 N HN 0.610 nan 8.380 nan 0.000 0.450 340 Q N 3.236 122.952 119.800 -0.139 0.000 2.425 340 Q HA 0.361 4.701 4.340 0.000 0.000 0.254 340 Q C -2.352 173.546 176.000 -0.170 0.000 1.032 340 Q CA -2.183 53.507 55.803 -0.189 0.000 0.798 340 Q CB 1.541 30.188 28.738 -0.152 0.000 1.210 340 Q HN 0.318 nan 8.270 nan 0.000 0.491 341 P HA -0.186 nan 4.420 nan 0.000 0.217 341 P C 0.943 178.155 177.300 -0.147 0.000 1.148 341 P CA 1.322 64.284 63.100 -0.230 0.000 0.828 341 P CB 0.158 31.596 31.700 -0.436 0.000 0.783 342 M N -1.692 117.817 119.600 -0.152 0.000 2.279 342 M HA -0.095 4.385 4.480 0.000 0.000 0.264 342 M C 0.530 176.806 176.300 -0.040 0.000 1.062 342 M CA 1.568 56.820 55.300 -0.079 0.000 1.099 342 M CB -0.861 31.709 32.600 -0.050 0.000 1.394 342 M HN 0.062 nan 8.290 nan 0.000 0.426 343 Q N -0.183 119.621 119.800 0.006 0.000 2.331 343 Q HA 0.262 4.602 4.340 0.000 0.000 0.267 343 Q C -0.367 175.785 176.000 0.253 0.000 1.006 343 Q CA -0.520 55.360 55.803 0.128 0.000 0.818 343 Q CB 1.305 30.185 28.738 0.236 0.000 1.276 343 Q HN 0.293 nan 8.270 nan 0.000 0.450 344 F N 0.877 120.790 119.950 -0.061 0.000 3.082 344 F HA -0.343 4.184 4.527 0.000 0.000 0.272 344 F C 1.086 176.849 175.800 -0.062 0.000 0.936 344 F CA 0.919 58.885 58.000 -0.058 0.000 0.920 344 F CB -2.320 36.643 39.000 -0.062 0.000 0.901 344 F HN 0.831 nan 8.300 nan 0.000 0.695 345 A N -1.567 121.281 122.820 0.046 0.000 2.847 345 A HA 0.141 4.461 4.320 0.000 0.000 0.263 345 A C 2.170 179.753 177.584 -0.001 0.000 1.391 345 A CA 1.450 53.490 52.037 0.006 0.000 0.866 345 A CB -1.796 17.206 19.000 0.004 0.000 1.057 345 A HN 2.579 nan 8.150 nan 0.000 0.673 346 G N -2.897 105.907 108.800 0.006 0.000 2.203 346 G HA2 -0.227 3.733 3.960 0.000 0.000 0.263 346 G HA3 -0.227 3.733 3.960 0.000 0.000 0.263 346 G C 0.717 175.590 174.900 -0.044 0.000 1.012 346 G CA 0.796 45.875 45.100 -0.035 0.000 0.749 346 G HN 1.702 nan 8.290 nan 0.000 0.512 347 C N -0.499 118.788 119.300 -0.022 0.000 2.705 347 C HA 0.565 5.025 4.460 0.000 0.000 0.365 347 C C 1.307 176.220 174.990 -0.129 0.000 1.353 347 C CA -0.380 58.596 59.018 -0.071 0.000 2.339 347 C CB 0.324 28.054 27.740 -0.017 0.000 2.576 347 C HN 0.495 nan 8.230 nan 0.000 0.716 348 L N 2.809 123.892 121.223 -0.234 0.000 2.309 348 L HA 0.501 4.841 4.340 0.000 0.000 0.282 348 L C -0.037 176.819 176.870 -0.024 0.000 1.036 348 L CA 0.139 54.839 54.840 -0.234 0.000 0.806 348 L CB 1.096 42.802 42.059 -0.588 0.000 1.220 348 L HN 0.822 nan 8.230 nan 0.000 0.429 349 D N 2.181 122.606 120.400 0.042 0.000 2.812 349 D HA 0.230 4.870 4.640 0.000 0.000 0.318 349 D C 0.921 177.268 176.300 0.079 0.000 1.234 349 D CA -0.629 53.425 54.000 0.090 0.000 0.989 349 D CB 1.045 41.815 40.800 -0.049 0.000 1.442 349 D HN 0.295 nan 8.370 nan 0.000 0.537 350 I N 0.320 120.917 120.570 0.046 0.000 2.099 350 I HA -0.302 3.868 4.170 0.000 0.000 0.239 350 I C 2.685 178.821 176.117 0.031 0.000 1.066 350 I CA 2.657 63.985 61.300 0.046 0.000 1.324 350 I CB -0.572 37.449 38.000 0.035 0.000 1.037 350 I HN 0.660 nan 8.210 nan 0.000 0.401 351 T N -0.415 114.106 114.554 -0.056 0.000 2.684 351 T HA -0.195 4.155 4.350 0.000 0.000 0.267 351 T C 1.988 176.635 174.700 -0.087 0.000 1.036 351 T CA 1.241 63.268 62.100 -0.121 0.000 1.148 351 T CB -0.682 67.819 68.868 -0.611 0.000 0.863 351 T HN 0.372 nan 8.240 nan 0.000 0.436 352 A N 1.688 124.425 122.820 -0.139 0.000 1.877 352 A HA -0.032 4.288 4.320 0.000 0.000 0.216 352 A C 2.765 180.373 177.584 0.039 0.000 1.186 352 A CA 2.159 54.152 52.037 -0.072 0.000 0.620 352 A CB -1.236 17.703 19.000 -0.101 0.000 0.822 352 A HN 0.564 nan 8.150 nan 0.000 0.443 353 S N -0.193 115.551 115.700 0.073 0.000 2.359 353 S HA -0.202 4.268 4.470 0.000 0.000 0.224 353 S C 1.866 176.537 174.600 0.118 0.000 1.035 353 S CA 1.728 60.000 58.200 0.121 0.000 1.018 353 S CB -0.372 62.923 63.200 0.158 0.000 0.876 353 S HN 0.712 nan 8.310 nan 0.000 0.448 354 E N 0.807 121.082 120.200 0.125 0.000 2.106 354 E HA -0.127 4.223 4.350 0.000 0.000 0.192 354 E C 2.143 178.839 176.600 0.161 0.000 0.984 354 E CA 0.732 57.210 56.400 0.131 0.000 0.806 354 E CB -0.081 29.700 29.700 0.136 0.000 0.750 354 E HN 0.429 nan 8.360 nan 0.000 0.458 355 K N 1.084 121.613 120.400 0.215 0.000 2.002 355 K HA -0.157 4.163 4.320 0.000 0.000 0.209 355 K C 2.154 178.870 176.600 0.193 0.000 1.048 355 K CA 1.380 57.809 56.287 0.237 0.000 0.930 355 K CB -0.126 32.543 32.500 0.282 0.000 0.714 355 K HN 0.073 nan 8.250 nan 0.000 0.438 356 A N 0.980 123.891 122.820 0.150 0.000 1.898 356 A HA -0.021 4.299 4.320 0.000 0.000 0.216 356 A C 2.344 180.006 177.584 0.130 0.000 1.181 356 A CA 1.676 53.805 52.037 0.153 0.000 0.620 356 A CB -0.788 18.284 19.000 0.119 0.000 0.819 356 A HN 0.511 nan 8.150 nan 0.000 0.442 357 A N -0.557 122.315 122.820 0.086 0.000 1.908 357 A HA -0.194 4.126 4.320 0.000 0.000 0.218 357 A C 2.282 179.892 177.584 0.044 0.000 1.181 357 A CA 1.750 53.806 52.037 0.033 0.000 0.627 357 A CB -0.499 18.535 19.000 0.056 0.000 0.818 357 A HN 0.349 nan 8.150 nan 0.000 0.445 358 R N -1.493 119.063 120.500 0.094 0.000 2.092 358 R HA -0.088 4.252 4.340 0.000 0.000 0.231 358 R C 1.872 178.240 176.300 0.112 0.000 1.119 358 R CA 1.511 57.662 56.100 0.086 0.000 0.970 358 R CB -0.892 29.474 30.300 0.110 0.000 0.864 358 R HN 0.568 nan 8.270 nan 0.000 0.440 359 F N 0.699 120.674 119.950 0.042 0.000 2.113 359 F HA -0.169 4.358 4.527 0.000 0.000 0.297 359 F C 2.189 178.007 175.800 0.030 0.000 1.103 359 F CA 1.130 59.168 58.000 0.064 0.000 1.248 359 F CB -0.412 38.632 39.000 0.073 0.000 0.999 359 F HN -0.251 nan 8.300 nan 0.000 0.475 360 V N 1.298 121.194 119.914 -0.031 0.000 2.287 360 V HA -0.308 3.812 4.120 0.000 0.000 0.248 360 V C 2.591 178.586 176.094 -0.165 0.000 1.053 360 V CA 2.201 64.393 62.300 -0.181 0.000 1.027 360 V CB -0.625 30.996 31.823 -0.337 0.000 0.646 360 V HN 0.283 nan 8.190 nan 0.000 0.447 361 R N -0.400 120.039 120.500 -0.103 0.000 2.096 361 R HA -0.126 4.214 4.340 0.000 0.000 0.235 361 R C 2.318 178.562 176.300 -0.094 0.000 1.127 361 R CA 1.843 57.898 56.100 -0.074 0.000 0.968 361 R CB -0.926 29.355 30.300 -0.032 0.000 0.861 361 R HN 0.526 nan 8.270 nan 0.000 0.440 362 T N 0.885 115.383 114.554 -0.093 0.000 2.674 362 T HA -0.175 4.175 4.350 0.000 0.000 0.265 362 T C 2.182 176.909 174.700 0.045 0.000 1.039 362 T CA 1.515 63.604 62.100 -0.019 0.000 1.150 362 T CB -0.413 68.434 68.868 -0.034 0.000 0.864 362 T HN 0.322 nan 8.240 nan 0.000 0.427 363 C N 1.289 120.536 119.300 -0.089 0.000 2.413 363 C HA -0.119 4.341 4.460 0.000 0.000 0.276 363 C C 2.671 177.676 174.990 0.025 0.000 1.236 363 C CA 0.864 59.884 59.018 0.005 0.000 1.735 363 C CB -1.136 26.519 27.740 -0.141 0.000 2.031 363 C HN 0.693 nan 8.230 nan 0.000 0.474 364 D N 0.626 120.999 120.400 -0.046 0.000 2.097 364 D HA -0.109 4.531 4.640 0.000 0.000 0.195 364 D C 2.140 178.384 176.300 -0.093 0.000 0.989 364 D CA 1.662 55.635 54.000 -0.045 0.000 0.827 364 D CB -0.178 40.590 40.800 -0.054 0.000 0.966 364 D HN 0.393 nan 8.370 nan 0.000 0.456 365 A N -0.607 122.099 122.820 -0.190 0.000 1.940 365 A HA -0.106 4.214 4.320 0.000 0.000 0.219 365 A C 1.384 178.633 177.584 -0.557 0.000 1.176 365 A CA 1.024 52.812 52.037 -0.414 0.000 0.631 365 A CB -0.733 17.903 19.000 -0.605 0.000 0.814 365 A HN 0.359 nan 8.150 nan 0.000 0.446 366 F N 0.098 120.059 119.950 0.018 0.000 2.750 366 F HA 0.244 4.771 4.527 0.000 0.000 0.297 366 F C 0.486 176.303 175.800 0.028 0.000 1.138 366 F CA -0.655 57.361 58.000 0.026 0.000 1.346 366 F CB -0.319 38.706 39.000 0.040 0.000 0.965 366 F HN 0.256 nan 8.300 nan 0.000 0.514 367 N N -0.374 118.389 118.700 0.106 0.000 2.725 367 N HA -0.164 4.576 4.740 0.000 0.000 0.249 367 N C -0.668 174.907 175.510 0.109 0.000 1.103 367 N CA 0.442 53.544 53.050 0.086 0.000 0.707 367 N CB -1.725 36.809 38.487 0.077 0.000 1.043 367 N HN 0.096 nan 8.380 nan 0.000 0.553 368 V N 0.937 120.933 119.914 0.137 0.000 2.383 368 V HA 0.315 4.435 4.120 0.000 0.000 0.275 368 V C -1.766 174.410 176.094 0.136 0.000 1.036 368 V CA -1.340 61.059 62.300 0.165 0.000 0.889 368 V CB 1.538 33.513 31.823 0.253 0.000 0.985 368 V HN -0.078 nan 8.190 nan 0.000 0.459 369 P HA 0.167 nan 4.420 nan 0.000 0.269 369 P C -0.797 176.586 177.300 0.138 0.000 1.215 369 P CA -0.025 63.145 63.100 0.116 0.000 0.780 369 P CB 0.620 32.388 31.700 0.113 0.000 0.898 370 V N 4.012 123.999 119.914 0.122 0.000 2.409 370 V HA 0.312 4.432 4.120 0.000 0.000 0.291 370 V C 0.026 176.197 176.094 0.128 0.000 1.020 370 V CA -0.497 61.893 62.300 0.150 0.000 0.848 370 V CB 1.161 33.078 31.823 0.157 0.000 0.990 370 V HN 0.334 nan 8.190 nan 0.000 0.430 371 L N 5.103 126.411 121.223 0.140 0.000 2.282 371 L HA 0.677 5.017 4.340 0.000 0.000 0.288 371 L C 0.300 177.164 176.870 -0.009 0.000 1.033 371 L CA -0.262 54.590 54.840 0.021 0.000 0.807 371 L CB 1.874 44.000 42.059 0.112 0.000 1.209 371 L HN 0.773 nan 8.230 nan 0.000 0.423 372 T N -0.640 113.778 114.554 -0.226 0.000 2.824 372 T HA 0.638 4.988 4.350 0.000 0.000 0.282 372 T C -0.723 173.714 174.700 -0.438 0.000 0.993 372 T CA -0.519 61.496 62.100 -0.142 0.000 0.967 372 T CB 0.965 69.808 68.868 -0.042 0.000 0.960 372 T HN 0.140 nan 8.240 nan 0.000 0.441 373 F N 2.334 122.236 119.950 -0.080 0.000 2.402 373 F HA 0.558 5.085 4.527 0.000 0.000 0.355 373 F C -0.100 175.617 175.800 -0.138 0.000 1.123 373 F CA -1.142 56.773 58.000 -0.141 0.000 1.021 373 F CB 1.743 40.651 39.000 -0.153 0.000 1.160 373 F HN 0.391 nan 8.300 nan 0.000 0.451 374 V N 2.650 122.528 119.914 -0.060 0.000 2.394 374 V HA 0.451 4.571 4.120 0.000 0.000 0.282 374 V C -0.734 175.332 176.094 -0.046 0.000 1.031 374 V CA -0.417 61.847 62.300 -0.060 0.000 0.881 374 V CB 1.568 33.338 31.823 -0.087 0.000 0.982 374 V HN 0.675 nan 8.190 nan 0.000 0.451 375 D N 3.589 123.982 120.400 -0.012 0.000 2.826 375 D HA 0.199 4.839 4.640 0.000 0.000 0.239 375 D C -1.519 174.794 176.300 0.022 0.000 1.329 375 D CA -0.027 53.990 54.000 0.029 0.000 0.854 375 D CB 1.531 42.373 40.800 0.070 0.000 1.494 375 D HN 0.365 nan 8.370 nan 0.000 0.540 376 V N 4.552 124.494 119.914 0.046 0.000 2.483 376 V HA 0.563 4.683 4.120 0.000 0.000 0.297 376 V C -1.796 174.374 176.094 0.126 0.000 1.027 376 V CA -2.006 60.310 62.300 0.026 0.000 0.855 376 V CB 2.446 34.238 31.823 -0.051 0.000 0.995 376 V HN 0.171 nan 8.190 nan 0.000 0.424 377 P HA 0.247 nan 4.420 nan 0.000 0.220 377 P C 0.618 177.940 177.300 0.037 0.000 1.152 377 P CA 1.613 64.749 63.100 0.060 0.000 0.812 377 P CB 0.603 32.275 31.700 -0.047 0.000 0.792 378 G N -1.306 107.476 108.800 -0.030 0.000 2.368 378 G HA2 0.241 4.201 3.960 0.000 0.000 0.269 378 G HA3 0.241 4.201 3.960 0.000 0.000 0.269 378 G C -1.667 173.098 174.900 -0.226 0.000 1.291 378 G CA -0.844 44.223 45.100 -0.055 0.000 0.903 378 G HN -0.030 nan 8.290 nan 0.000 0.483 379 F N 0.392 120.366 119.950 0.040 0.000 2.378 379 F HA 0.630 5.157 4.527 0.000 0.000 0.325 379 F C 1.023 176.831 175.800 0.013 0.000 1.097 379 F CA -0.653 57.362 58.000 0.025 0.000 1.079 379 F CB 1.523 40.538 39.000 0.025 0.000 1.240 379 F HN 0.319 nan 8.300 nan 0.000 0.519 380 L N 4.202 125.531 121.223 0.176 0.000 2.477 380 L HA 0.228 4.568 4.340 0.000 0.000 0.272 380 L C -2.234 174.697 176.870 0.101 0.000 1.157 380 L CA -1.511 53.390 54.840 0.102 0.000 0.889 380 L CB 0.577 42.674 42.059 0.062 0.000 1.158 380 L HN 0.356 nan 8.230 nan 0.000 0.473 381 P HA 0.491 nan 4.420 nan 0.000 0.277 381 P C -0.849 176.466 177.300 0.025 0.000 1.240 381 P CA -0.296 62.831 63.100 0.046 0.000 0.798 381 P CB 1.320 33.038 31.700 0.031 0.000 0.979 382 G N -0.227 108.574 108.800 0.002 0.000 2.249 382 G HA2 0.082 4.042 3.960 0.000 0.000 0.252 382 G HA3 0.082 4.042 3.960 0.000 0.000 0.252 382 G C 0.222 175.088 174.900 -0.057 0.000 1.697 382 G CA -0.735 44.353 45.100 -0.021 0.000 0.916 382 G HN 0.238 nan 8.290 nan 0.000 0.725 383 V N 1.901 121.748 119.914 -0.110 0.000 2.594 383 V HA -0.141 3.979 4.120 0.000 0.000 0.253 383 V C 2.776 178.718 176.094 -0.252 0.000 1.069 383 V CA 2.620 64.778 62.300 -0.236 0.000 1.082 383 V CB -0.434 31.190 31.823 -0.333 0.000 0.680 383 V HN 0.917 nan 8.190 nan 0.000 0.469 384 D N -0.347 119.977 120.400 -0.127 0.000 2.117 384 D HA -0.246 4.394 4.640 0.000 0.000 0.197 384 D C 1.926 178.229 176.300 0.005 0.000 0.987 384 D CA 1.186 55.160 54.000 -0.044 0.000 0.829 384 D CB -0.360 40.430 40.800 -0.017 0.000 0.961 384 D HN 0.392 nan 8.370 nan 0.000 0.460 385 Q N 0.384 120.182 119.800 -0.004 0.000 2.050 385 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 385 Q C 2.178 178.195 176.000 0.029 0.000 0.980 385 Q CA 0.993 56.806 55.803 0.016 0.000 0.840 385 Q CB -0.242 28.507 28.738 0.019 0.000 0.898 385 Q HN 0.446 nan 8.270 nan 0.000 0.424 386 E N 0.145 120.359 120.200 0.024 0.000 2.051 386 E HA -0.167 4.183 4.350 0.000 0.000 0.192 386 E C 1.935 178.646 176.600 0.185 0.000 0.991 386 E CA 1.101 57.544 56.400 0.073 0.000 0.799 386 E CB -0.182 29.561 29.700 0.072 0.000 0.748 386 E HN 0.445 nan 8.360 nan 0.000 0.449 387 H N 0.564 119.630 119.070 -0.007 0.000 2.462 387 H HA -0.017 4.539 4.556 0.000 0.000 0.292 387 H C 1.148 176.474 175.328 -0.003 0.000 1.049 387 H CA 0.845 56.890 56.048 -0.005 0.000 1.334 387 H CB 0.006 29.767 29.762 -0.002 0.000 1.404 387 H HN 0.101 nan 8.280 nan 0.000 0.544 388 D N -0.586 119.887 120.400 0.121 0.000 2.349 388 D HA 0.100 4.740 4.640 0.000 0.000 0.224 388 D C 1.014 177.338 176.300 0.041 0.000 1.029 388 D CA 0.823 54.862 54.000 0.066 0.000 0.879 388 D CB 0.182 41.014 40.800 0.054 0.000 0.906 388 D HN 0.512 nan 8.370 nan 0.000 0.528 389 G N 1.683 110.505 108.800 0.038 0.000 2.165 389 G HA2 -0.301 3.659 3.960 0.000 0.000 0.226 389 G HA3 -0.301 3.659 3.960 0.000 0.000 0.226 389 G C 0.971 175.873 174.900 0.003 0.000 1.035 389 G CA 0.248 45.357 45.100 0.014 0.000 0.744 389 G HN 0.331 nan 8.290 nan 0.000 0.501 390 I N 0.269 120.838 120.570 -0.002 0.000 2.315 390 I HA -0.134 4.036 4.170 0.000 0.000 0.251 390 I C 2.499 178.576 176.117 -0.066 0.000 1.125 390 I CA 1.913 63.197 61.300 -0.027 0.000 1.392 390 I CB -0.189 37.782 38.000 -0.048 0.000 1.065 390 I HN 0.522 nan 8.210 nan 0.000 0.424 391 I N 0.953 121.484 120.570 -0.065 0.000 2.127 391 I HA -0.332 3.838 4.170 0.000 0.000 0.241 391 I C 2.570 178.663 176.117 -0.040 0.000 1.075 391 I CA 2.075 63.333 61.300 -0.071 0.000 1.334 391 I CB -0.542 37.429 38.000 -0.049 0.000 1.040 391 I HN 0.351 nan 8.210 nan 0.000 0.405 392 R N 0.904 121.391 120.500 -0.023 0.000 2.276 392 R HA 0.027 4.367 4.340 0.000 0.000 0.196 392 R C 1.913 178.209 176.300 -0.007 0.000 0.961 392 R CA 0.481 56.572 56.100 -0.014 0.000 1.024 392 R CB -0.104 30.186 30.300 -0.018 0.000 0.940 392 R HN 0.321 nan 8.270 nan 0.000 0.480 393 R N 0.254 120.756 120.500 0.002 0.000 2.195 393 R HA 0.171 4.511 4.340 0.000 0.000 0.197 393 R C 2.282 178.611 176.300 0.049 0.000 0.990 393 R CA 0.727 56.840 56.100 0.022 0.000 1.048 393 R CB 0.024 30.342 30.300 0.030 0.000 0.997 393 R HN 0.327 nan 8.270 nan 0.000 0.502 394 G N 1.020 109.844 108.800 0.040 0.000 2.421 394 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 394 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 394 G C 1.484 176.447 174.900 0.106 0.000 1.143 394 G CA 0.656 45.812 45.100 0.093 0.000 0.784 394 G HN 0.342 nan 8.290 nan 0.000 0.541 395 A N 0.692 123.548 122.820 0.061 0.000 2.121 395 A HA 0.062 4.382 4.320 0.000 0.000 0.218 395 A C 2.216 179.881 177.584 0.134 0.000 1.154 395 A CA 1.635 53.728 52.037 0.092 0.000 0.679 395 A CB -0.268 18.771 19.000 0.064 0.000 0.795 395 A HN 0.396 nan 8.150 nan 0.000 0.458 396 K N -0.503 119.953 120.400 0.094 0.000 2.097 396 K HA -0.026 4.294 4.320 0.000 0.000 0.206 396 K C 1.799 178.486 176.600 0.145 0.000 1.049 396 K CA 1.146 57.483 56.287 0.083 0.000 0.933 396 K CB -0.273 32.247 32.500 0.033 0.000 0.717 396 K HN 0.486 nan 8.250 nan 0.000 0.442 397 L N 1.039 122.353 121.223 0.151 0.000 2.056 397 L HA -0.141 4.199 4.340 0.000 0.000 0.207 397 L C 2.370 179.379 176.870 0.231 0.000 1.078 397 L CA 0.889 55.825 54.840 0.160 0.000 0.749 397 L CB -0.230 41.949 42.059 0.200 0.000 0.901 397 L HN 0.215 nan 8.230 nan 0.000 0.433 398 I N -2.596 118.119 120.570 0.242 0.000 2.394 398 I HA -0.271 3.899 4.170 0.000 0.000 0.251 398 I C 2.237 178.476 176.117 0.204 0.000 1.136 398 I CA 1.458 62.897 61.300 0.231 0.000 1.425 398 I CB -0.716 37.378 38.000 0.158 0.000 1.079 398 I HN 0.074 nan 8.210 nan 0.000 0.425 399 F N 1.640 121.631 119.950 0.069 0.000 2.134 399 F HA -0.090 4.437 4.527 0.000 0.000 0.299 399 F C 2.497 178.310 175.800 0.021 0.000 1.097 399 F CA 1.871 59.895 58.000 0.039 0.000 1.264 399 F CB -0.423 38.591 39.000 0.023 0.000 1.001 399 F HN 0.177 nan 8.300 nan 0.000 0.479 400 A N -0.295 122.682 122.820 0.261 0.000 1.865 400 A HA -0.257 4.063 4.320 0.000 0.000 0.217 400 A C 1.994 179.556 177.584 -0.036 0.000 1.191 400 A CA 2.008 54.089 52.037 0.073 0.000 0.623 400 A CB -1.558 17.395 19.000 -0.079 0.000 0.826 400 A HN 0.517 nan 8.150 nan 0.000 0.444 401 Y N -0.298 120.020 120.300 0.030 0.000 2.145 401 Y HA -0.056 4.494 4.550 0.000 0.000 0.286 401 Y C 2.943 178.803 175.900 -0.068 0.000 1.145 401 Y CA 0.835 58.923 58.100 -0.019 0.000 1.148 401 Y CB -0.761 37.684 38.460 -0.025 0.000 0.981 401 Y HN 0.317 nan 8.280 nan 0.000 0.507 402 A N -0.479 122.376 122.820 0.058 0.000 2.070 402 A HA -0.192 4.128 4.320 0.000 0.000 0.220 402 A C 2.166 179.664 177.584 -0.145 0.000 1.159 402 A CA 1.705 53.698 52.037 -0.073 0.000 0.656 402 A CB -0.541 18.370 19.000 -0.149 0.000 0.800 402 A HN 0.552 nan 8.150 nan 0.000 0.453 403 E N 0.040 120.142 120.200 -0.165 0.000 2.122 403 E HA 0.185 4.535 4.350 0.000 0.000 0.190 403 E C 1.031 177.594 176.600 -0.061 0.000 0.977 403 E CA 0.380 56.686 56.400 -0.155 0.000 0.820 403 E CB -0.135 29.497 29.700 -0.114 0.000 0.770 403 E HN 0.527 nan 8.360 nan 0.000 0.462 404 A N 0.835 123.639 122.820 -0.026 0.000 2.565 404 A HA -0.011 4.309 4.320 0.000 0.000 0.237 404 A C 0.943 178.524 177.584 -0.006 0.000 1.053 404 A CA 0.990 53.022 52.037 -0.008 0.000 0.755 404 A CB 0.140 19.152 19.000 0.021 0.000 0.980 404 A HN 0.406 nan 8.150 nan 0.000 0.506 405 T N -0.404 114.145 114.554 -0.008 0.000 3.003 405 T HA 0.312 4.662 4.350 0.000 0.000 0.261 405 T C 0.634 175.337 174.700 0.006 0.000 1.003 405 T CA 0.470 62.566 62.100 -0.006 0.000 0.917 405 T CB -1.159 67.700 68.868 -0.014 0.000 1.084 405 T HN 1.214 nan 8.240 nan 0.000 0.522 406 V N -0.399 119.524 119.914 0.014 0.000 3.319 406 V HA 0.463 4.583 4.120 0.000 0.000 0.303 406 V C -2.784 173.331 176.094 0.035 0.000 1.094 406 V CA -2.404 59.913 62.300 0.028 0.000 1.106 406 V CB -0.356 31.491 31.823 0.040 0.000 1.099 406 V HN -0.042 nan 8.190 nan 0.000 0.476 407 P HA 0.325 nan 4.420 nan 0.000 0.265 407 P C -0.859 176.470 177.300 0.047 0.000 1.193 407 P CA 0.349 63.473 63.100 0.039 0.000 0.765 407 P CB 0.184 31.912 31.700 0.046 0.000 0.823 408 L N 4.842 126.083 121.223 0.030 0.000 2.372 408 L HA 0.512 4.852 4.340 0.000 0.000 0.273 408 L C -0.238 176.620 176.870 -0.020 0.000 0.989 408 L CA -0.350 54.507 54.840 0.028 0.000 0.841 408 L CB 1.123 43.203 42.059 0.035 0.000 1.225 408 L HN 0.240 nan 8.230 nan 0.000 0.414 409 I N 2.305 122.854 120.570 -0.035 0.000 2.436 409 I HA 0.431 4.601 4.170 0.000 0.000 0.289 409 I C -0.312 175.699 176.117 -0.177 0.000 1.010 409 I CA -0.239 61.010 61.300 -0.085 0.000 1.098 409 I CB 2.308 40.277 38.000 -0.052 0.000 1.266 409 I HN 0.474 nan 8.210 nan 0.000 0.434 410 T N 5.422 119.848 114.554 -0.212 0.000 2.829 410 T HA 0.572 4.922 4.350 0.000 0.000 0.280 410 T C -0.483 174.031 174.700 -0.310 0.000 0.999 410 T CA -0.516 61.408 62.100 -0.293 0.000 0.983 410 T CB 2.278 70.983 68.868 -0.272 0.000 0.968 410 T HN 0.182 nan 8.240 nan 0.000 0.446 411 V N 4.176 123.835 119.914 -0.425 0.000 2.483 411 V HA 0.452 4.572 4.120 0.000 0.000 0.297 411 V C -0.356 175.523 176.094 -0.358 0.000 1.027 411 V CA -0.782 61.291 62.300 -0.378 0.000 0.855 411 V CB 1.543 33.110 31.823 -0.427 0.000 0.995 411 V HN 0.815 nan 8.190 nan 0.000 0.424 412 I N 4.857 125.243 120.570 -0.308 0.000 2.291 412 I HA 0.191 4.361 4.170 0.000 0.000 0.290 412 I C 1.609 177.460 176.117 -0.443 0.000 1.050 412 I CA -0.056 61.079 61.300 -0.274 0.000 1.245 412 I CB 1.687 39.594 38.000 -0.156 0.000 1.405 412 I HN 0.828 nan 8.210 nan 0.000 0.478 413 T N 2.659 116.887 114.554 -0.543 0.000 2.937 413 T HA 0.029 4.379 4.350 0.000 0.000 0.260 413 T C 1.534 176.105 174.700 -0.215 0.000 1.051 413 T CA 0.653 62.283 62.100 -0.784 0.000 1.141 413 T CB 0.387 68.726 68.868 -0.882 0.000 0.879 413 T HN 0.629 nan 8.240 nan 0.000 0.459 414 R N 0.195 120.643 120.500 -0.086 0.000 5.324 414 R HA 0.359 4.699 4.340 0.000 0.000 0.103 414 R C -0.676 175.642 176.300 0.030 0.000 0.980 414 R CA -0.364 55.751 56.100 0.025 0.000 0.877 414 R CB 0.583 30.962 30.300 0.132 0.000 1.354 414 R HN 0.044 nan 8.270 nan 0.000 0.391 415 K N 0.578 121.035 120.400 0.095 0.000 2.172 415 K HA 0.583 4.903 4.320 0.000 0.000 0.276 415 K C -1.355 175.254 176.600 0.015 0.000 1.013 415 K CA -0.082 56.305 56.287 0.168 0.000 0.913 415 K CB 1.983 34.728 32.500 0.409 0.000 1.055 415 K HN 0.380 nan 8.250 nan 0.000 0.461 416 A N 3.970 126.635 122.820 -0.258 0.000 3.005 416 A HA 0.413 4.733 4.320 0.000 0.000 0.308 416 A C -1.461 175.902 177.584 -0.370 0.000 1.173 416 A CA -0.668 51.271 52.037 -0.163 0.000 0.796 416 A CB -0.033 18.895 19.000 -0.121 0.000 1.325 416 A HN 0.574 nan 8.150 nan 0.000 0.467 417 F N 1.100 121.090 119.950 0.066 0.000 2.480 417 F HA 0.669 5.196 4.527 0.000 0.000 0.329 417 F C 1.317 177.191 175.800 0.123 0.000 1.091 417 F CA 0.520 58.562 58.000 0.071 0.000 0.972 417 F CB 1.898 40.926 39.000 0.048 0.000 1.150 417 F HN 0.990 nan 8.300 nan 0.000 0.467 418 G N 1.760 110.741 108.800 0.302 0.000 2.582 418 G HA2 -0.273 3.687 3.960 0.000 0.000 0.300 418 G HA3 -0.273 3.687 3.960 0.000 0.000 0.300 418 G C 1.269 176.340 174.900 0.286 0.000 1.300 418 G CA 0.178 45.436 45.100 0.263 0.000 0.959 418 G HN 1.249 nan 8.290 nan 0.000 0.548 419 G N -0.287 108.682 108.800 0.282 0.000 2.469 419 G HA2 0.137 4.097 3.960 0.000 0.000 0.220 419 G HA3 0.137 4.097 3.960 0.000 0.000 0.220 419 G C 2.205 177.295 174.900 0.318 0.000 1.136 419 G CA 3.094 48.368 45.100 0.291 0.000 0.759 419 G HN 1.932 nan 8.290 nan 0.000 0.562 420 A N 0.160 123.170 122.820 0.317 0.000 1.986 420 A HA -0.130 4.191 4.320 0.000 0.000 0.220 420 A C 2.174 179.797 177.584 0.067 0.000 1.171 420 A CA 1.893 53.956 52.037 0.045 0.000 0.640 420 A CB -0.667 18.218 19.000 -0.193 0.000 0.811 420 A HN 0.624 nan 8.150 nan 0.000 0.451 421 Y N 1.181 121.501 120.300 0.033 0.000 2.181 421 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 421 Y C 1.833 177.731 175.900 -0.003 0.000 1.146 421 Y CA 1.873 59.968 58.100 -0.009 0.000 1.164 421 Y CB -0.317 38.139 38.460 -0.007 0.000 0.982 421 Y HN 0.362 nan 8.280 nan 0.000 0.515 422 D N -0.219 120.022 120.400 -0.266 0.000 2.117 422 D HA -0.162 4.478 4.640 0.000 0.000 0.198 422 D C 2.405 178.574 176.300 -0.219 0.000 0.982 422 D CA 1.809 55.614 54.000 -0.325 0.000 0.828 422 D CB -0.266 40.492 40.800 -0.071 0.000 0.967 422 D HN 0.363 nan 8.370 nan 0.000 0.464 423 V N 1.481 121.363 119.914 -0.053 0.000 2.332 423 V HA -0.187 3.933 4.120 0.000 0.000 0.248 423 V C 1.528 177.580 176.094 -0.070 0.000 1.055 423 V CA 0.982 63.303 62.300 0.035 0.000 1.038 423 V CB -0.294 31.636 31.823 0.178 0.000 0.651 423 V HN 0.233 nan 8.190 nan 0.000 0.450 424 M N 0.979 120.474 119.600 -0.175 0.000 3.596 424 M HA 0.268 4.748 4.480 0.000 0.000 0.212 424 M C 1.279 177.235 176.300 -0.573 0.000 1.519 424 M CA 0.345 55.488 55.300 -0.262 0.000 1.670 424 M CB -1.197 31.316 32.600 -0.145 0.000 1.113 424 M HN 0.450 nan 8.290 nan 0.000 0.565 425 G N 2.180 110.279 108.800 -1.169 0.000 2.395 425 G HA2 -0.244 3.716 3.960 0.000 0.000 0.300 425 G HA3 -0.244 3.716 3.960 0.000 0.000 0.300 425 G C 0.437 174.967 174.900 -0.616 0.000 0.998 425 G CA 0.595 44.977 45.100 -1.197 0.000 1.046 425 G HN 0.748 nan 8.290 nan 0.000 0.513 426 S N -1.273 114.090 115.700 -0.562 0.000 2.600 426 S HA 0.422 4.892 4.470 0.000 0.000 0.265 426 S C 1.504 175.817 174.600 -0.478 0.000 1.325 426 S CA 0.307 58.171 58.200 -0.561 0.000 1.002 426 S CB 1.773 64.514 63.200 -0.764 0.000 0.921 426 S HN 0.547 nan 8.310 nan 0.000 0.554 427 K N 0.281 120.355 120.400 -0.544 0.000 2.097 427 K HA -0.180 4.140 4.320 0.000 0.000 0.206 427 K C 1.742 178.092 176.600 -0.417 0.000 1.049 427 K CA 1.574 57.597 56.287 -0.441 0.000 0.933 427 K CB -0.429 31.826 32.500 -0.408 0.000 0.717 427 K HN 0.768 nan 8.250 nan 0.000 0.442 428 H N 0.053 118.983 119.070 -0.235 0.000 2.460 428 H HA -0.142 4.414 4.556 0.000 0.000 0.297 428 H C 1.753 176.985 175.328 -0.160 0.000 1.103 428 H CA 1.046 56.967 56.048 -0.212 0.000 1.292 428 H CB -0.031 29.575 29.762 -0.259 0.000 1.376 428 H HN 0.167 nan 8.280 nan 0.000 0.531 429 L N -0.594 120.563 121.223 -0.109 0.000 2.509 429 L HA 0.153 4.493 4.340 0.000 0.000 0.222 429 L C 1.777 178.602 176.870 -0.076 0.000 1.123 429 L CA 1.268 56.059 54.840 -0.082 0.000 0.856 429 L CB 0.013 42.017 42.059 -0.093 0.000 0.985 429 L HN 0.558 nan 8.230 nan 0.000 0.456 430 G N -2.063 106.675 108.800 -0.103 0.000 2.227 430 G HA2 -0.106 3.854 3.960 0.000 0.000 0.168 430 G HA3 -0.106 3.854 3.960 0.000 0.000 0.168 430 G C 0.520 175.372 174.900 -0.080 0.000 1.006 430 G CA -0.178 44.877 45.100 -0.076 0.000 0.684 430 G HN 0.539 nan 8.290 nan 0.000 0.489 431 A N 0.471 123.214 122.820 -0.129 0.000 2.531 431 A HA 0.481 4.801 4.320 0.000 0.000 0.236 431 A C 1.236 178.760 177.584 -0.100 0.000 1.062 431 A CA 1.112 53.074 52.037 -0.126 0.000 0.760 431 A CB 0.287 19.161 19.000 -0.210 0.000 0.995 431 A HN 0.241 nan 8.150 nan 0.000 0.501 432 D N 0.310 120.671 120.400 -0.065 0.000 2.149 432 D HA 0.040 4.680 4.640 0.000 0.000 0.206 432 D C 0.025 176.297 176.300 -0.046 0.000 0.967 432 D CA 1.083 55.057 54.000 -0.045 0.000 0.848 432 D CB 0.057 40.845 40.800 -0.019 0.000 0.998 432 D HN 0.346 nan 8.370 nan 0.000 0.474 433 L N 1.086 122.277 121.223 -0.053 0.000 2.356 433 L HA 0.341 4.681 4.340 0.000 0.000 0.277 433 L C -1.492 175.325 176.870 -0.087 0.000 0.996 433 L CA -0.460 54.351 54.840 -0.049 0.000 0.822 433 L CB 1.721 43.768 42.059 -0.019 0.000 1.256 433 L HN -0.254 nan 8.230 nan 0.000 0.413 434 N N 5.451 124.098 118.700 -0.087 0.000 2.491 434 N HA 0.611 5.351 4.740 0.000 0.000 0.274 434 N C -1.497 173.955 175.510 -0.097 0.000 1.023 434 N CA -0.563 52.421 53.050 -0.109 0.000 0.902 434 N CB 1.474 39.896 38.487 -0.108 0.000 1.267 434 N HN 0.278 nan 8.380 nan 0.000 0.503 435 L N 1.252 122.402 121.223 -0.121 0.000 2.334 435 L HA 0.922 5.262 4.340 0.000 0.000 0.272 435 L C 0.133 176.944 176.870 -0.100 0.000 1.020 435 L CA -1.078 53.692 54.840 -0.117 0.000 0.812 435 L CB 1.076 43.057 42.059 -0.129 0.000 1.264 435 L HN 0.535 nan 8.230 nan 0.000 0.439 436 A N 0.748 123.539 122.820 -0.049 0.000 2.486 436 A HA 0.718 5.038 4.320 0.000 0.000 0.300 436 A C -1.590 176.079 177.584 0.142 0.000 1.048 436 A CA -0.541 51.472 52.037 -0.040 0.000 0.696 436 A CB 1.114 20.052 19.000 -0.104 0.000 1.278 436 A HN 0.530 nan 8.150 nan 0.000 0.405 437 W N 1.208 122.445 121.300 -0.105 0.000 2.213 437 W HA 0.493 5.153 4.660 0.000 0.000 0.356 437 W C -1.999 174.451 176.519 -0.115 0.000 1.273 437 W CA -1.896 55.398 57.345 -0.085 0.000 1.391 437 W CB -0.075 29.348 29.460 -0.061 0.000 1.187 437 W HN 0.477 nan 8.180 nan 0.000 0.649 438 P HA -0.113 nan 4.420 nan 0.000 0.223 438 P C 1.317 178.653 177.300 0.060 0.000 1.151 438 P CA 2.078 65.216 63.100 0.062 0.000 0.787 438 P CB 0.014 31.772 31.700 0.097 0.000 0.788 439 T N -3.930 110.698 114.554 0.123 0.000 3.148 439 T HA 0.314 4.664 4.350 0.000 0.000 0.253 439 T C 0.926 175.662 174.700 0.059 0.000 1.134 439 T CA -0.159 62.004 62.100 0.103 0.000 1.051 439 T CB -0.640 68.315 68.868 0.146 0.000 0.959 439 T HN -0.002 nan 8.240 nan 0.000 0.525 440 A N 1.420 124.249 122.820 0.014 0.000 2.407 440 A HA 0.491 4.811 4.320 0.000 0.000 0.248 440 A C 0.103 177.616 177.584 -0.117 0.000 1.082 440 A CA -0.516 51.480 52.037 -0.069 0.000 0.785 440 A CB 0.228 19.157 19.000 -0.118 0.000 1.020 440 A HN 0.587 nan 8.150 nan 0.000 0.489 441 Q N 1.423 121.120 119.800 -0.172 0.000 2.490 441 Q HA 0.407 4.747 4.340 0.000 0.000 0.255 441 Q C -1.448 174.227 176.000 -0.542 0.000 0.997 441 Q CA 0.069 55.716 55.803 -0.261 0.000 0.709 441 Q CB 1.527 30.194 28.738 -0.119 0.000 1.255 441 Q HN 0.695 nan 8.270 nan 0.000 0.486 442 I N 2.029 122.331 120.570 -0.447 0.000 2.306 442 I HA 0.671 4.841 4.170 0.000 0.000 0.288 442 I C -0.128 175.709 176.117 -0.467 0.000 1.036 442 I CA -0.411 60.566 61.300 -0.540 0.000 1.221 442 I CB 0.883 38.591 38.000 -0.487 0.000 1.385 442 I HN 0.499 nan 8.210 nan 0.000 0.472 443 A N 4.698 127.212 122.820 -0.510 0.000 2.587 443 A HA 0.468 4.788 4.320 0.000 0.000 0.293 443 A C 0.300 177.880 177.584 -0.007 0.000 1.087 443 A CA -0.480 51.450 52.037 -0.177 0.000 0.692 443 A CB 1.737 20.750 19.000 0.022 0.000 1.291 443 A HN 0.409 nan 8.150 nan 0.000 0.407 444 V N 1.117 121.089 119.914 0.097 0.000 2.594 444 V HA 0.103 4.223 4.120 0.000 0.000 0.253 444 V C 0.611 176.833 176.094 0.213 0.000 1.069 444 V CA 2.968 65.352 62.300 0.140 0.000 1.082 444 V CB -0.916 30.978 31.823 0.119 0.000 0.680 444 V HN 1.040 nan 8.190 nan 0.000 0.469 445 M N -2.428 117.346 119.600 0.290 0.000 3.472 445 M HA 0.567 5.047 4.480 0.000 0.000 0.293 445 M C -0.018 176.450 176.300 0.279 0.000 1.316 445 M CA -0.252 55.210 55.300 0.270 0.000 0.857 445 M CB 0.927 33.589 32.600 0.103 0.000 1.708 445 M HN -0.044 nan 8.290 nan 0.000 0.505 446 G N 0.057 108.860 108.800 0.004 0.000 2.544 446 G HA2 0.475 4.435 3.960 0.000 0.000 0.242 446 G HA3 0.475 4.435 3.960 0.000 0.000 0.242 446 G C 0.746 175.598 174.900 -0.080 0.000 1.247 446 G CA -0.058 44.976 45.100 -0.109 0.000 0.840 446 G HN 1.034 nan 8.290 nan 0.000 0.578 447 A N 0.710 123.505 122.820 -0.041 0.000 1.883 447 A HA -0.162 4.158 4.320 0.000 0.000 0.217 447 A C 2.230 179.675 177.584 -0.232 0.000 1.186 447 A CA 2.145 54.085 52.037 -0.161 0.000 0.624 447 A CB -0.756 18.287 19.000 0.072 0.000 0.822 447 A HN 0.740 nan 8.150 nan 0.000 0.444 448 Q N -0.942 118.787 119.800 -0.118 0.000 2.030 448 Q HA -0.168 4.173 4.340 0.000 0.000 0.204 448 Q C 2.152 178.082 176.000 -0.116 0.000 0.986 448 Q CA 1.835 57.582 55.803 -0.093 0.000 0.843 448 Q CB -0.556 28.145 28.738 -0.062 0.000 0.904 448 Q HN 0.620 nan 8.270 nan 0.000 0.420 449 G N -0.006 108.723 108.800 -0.119 0.000 2.422 449 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 449 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 449 G C 1.395 176.208 174.900 -0.144 0.000 1.146 449 G CA 0.962 46.000 45.100 -0.104 0.000 0.769 449 G HN 0.503 nan 8.290 nan 0.000 0.547 450 A N 0.748 123.422 122.820 -0.245 0.000 1.845 450 A HA 0.022 4.342 4.320 0.000 0.000 0.215 450 A C 2.753 180.140 177.584 -0.328 0.000 1.195 450 A CA 2.791 54.620 52.037 -0.347 0.000 0.616 450 A CB -1.062 17.492 19.000 -0.742 0.000 0.832 450 A HN 0.917 nan 8.150 nan 0.000 0.443 451 V N -1.129 118.581 119.914 -0.340 0.000 2.392 451 V HA -0.273 3.847 4.120 0.000 0.000 0.249 451 V C 1.858 177.916 176.094 -0.061 0.000 1.059 451 V CA 2.424 64.646 62.300 -0.130 0.000 1.051 451 V CB -1.279 30.573 31.823 0.048 0.000 0.658 451 V HN 0.472 nan 8.190 nan 0.000 0.455 452 N N 0.919 119.579 118.700 -0.066 0.000 2.166 452 N HA -0.016 4.724 4.740 0.000 0.000 0.186 452 N C 1.785 177.269 175.510 -0.042 0.000 1.019 452 N CA 2.191 55.221 53.050 -0.032 0.000 0.856 452 N CB -0.339 38.127 38.487 -0.035 0.000 0.993 452 N HN 0.595 nan 8.380 nan 0.000 0.426 453 I N 0.391 120.914 120.570 -0.077 0.000 2.339 453 I HA -0.118 4.052 4.170 0.000 0.000 0.245 453 I C 2.049 178.110 176.117 -0.095 0.000 1.096 453 I CA 0.513 61.771 61.300 -0.069 0.000 1.408 453 I CB -0.200 37.761 38.000 -0.066 0.000 1.092 453 I HN -0.007 nan 8.210 nan 0.000 0.423 454 L N 0.351 121.466 121.223 -0.181 0.000 1.994 454 L HA -0.183 4.157 4.340 0.000 0.000 0.208 454 L C 1.521 178.215 176.870 -0.294 0.000 1.071 454 L CA 1.291 55.954 54.840 -0.294 0.000 0.745 454 L CB -0.710 41.048 42.059 -0.502 0.000 0.892 454 L HN 0.380 nan 8.230 nan 0.000 0.431 455 H N -0.312 118.766 119.070 0.013 0.000 2.591 455 H HA 0.146 4.702 4.556 0.000 0.000 0.302 455 H C 1.383 176.715 175.328 0.006 0.000 1.163 455 H CA -0.127 55.931 56.048 0.016 0.000 1.049 455 H CB -0.050 29.725 29.762 0.022 0.000 1.543 455 H HN 0.292 nan 8.280 nan 0.000 0.523 456 R N 1.439 121.974 120.500 0.059 0.000 2.088 456 R HA -0.153 4.187 4.340 0.000 0.000 0.232 456 R C 2.226 178.553 176.300 0.046 0.000 1.136 456 R CA 1.496 57.620 56.100 0.039 0.000 0.926 456 R CB 0.058 30.365 30.300 0.012 0.000 0.837 456 R HN 0.228 nan 8.270 nan 0.000 0.429 457 R N -0.265 120.261 120.500 0.043 0.000 2.096 457 R HA -0.101 4.239 4.340 0.000 0.000 0.235 457 R C 2.020 178.346 176.300 0.044 0.000 1.127 457 R CA 2.163 58.285 56.100 0.037 0.000 0.968 457 R CB -0.304 30.016 30.300 0.032 0.000 0.861 457 R HN 0.341 nan 8.270 nan 0.000 0.440 458 T N 1.158 115.752 114.554 0.067 0.000 2.684 458 T HA -0.177 4.173 4.350 0.000 0.000 0.267 458 T C 1.660 176.382 174.700 0.038 0.000 1.036 458 T CA 1.454 63.587 62.100 0.056 0.000 1.148 458 T CB -0.242 68.674 68.868 0.080 0.000 0.863 458 T HN 0.201 nan 8.240 nan 0.000 0.436 459 I N 1.367 121.968 120.570 0.053 0.000 2.493 459 I HA 0.039 4.209 4.170 0.000 0.000 0.254 459 I C 2.365 178.496 176.117 0.023 0.000 1.160 459 I CA 0.399 61.719 61.300 0.034 0.000 1.445 459 I CB -0.647 37.381 38.000 0.046 0.000 1.086 459 I HN 0.180 nan 8.210 nan 0.000 0.433 460 A N -0.409 122.426 122.820 0.025 0.000 1.855 460 A HA -0.145 4.175 4.320 0.000 0.000 0.215 460 A C 1.129 178.721 177.584 0.013 0.000 1.191 460 A CA 1.196 53.244 52.037 0.017 0.000 0.613 460 A CB -0.972 18.038 19.000 0.018 0.000 0.829 460 A HN 0.440 nan 8.150 nan 0.000 0.442 461 D N -1.321 119.088 120.400 0.014 0.000 2.390 461 D HA 0.400 5.040 4.640 0.000 0.000 0.236 461 D C 0.602 176.906 176.300 0.007 0.000 1.189 461 D CA 1.486 55.492 54.000 0.010 0.000 0.887 461 D CB 0.126 40.933 40.800 0.011 0.000 1.198 461 D HN 0.946 nan 8.370 nan 0.000 0.444 462 A N 1.038 123.861 122.820 0.005 0.000 2.475 462 A HA -0.080 4.240 4.320 0.000 0.000 0.295 462 A C 1.695 179.280 177.584 0.003 0.000 1.457 462 A CA 0.833 52.871 52.037 0.003 0.000 0.734 462 A CB -1.870 17.130 19.000 0.000 0.000 1.118 462 A HN 0.751 nan 8.150 nan 0.000 0.400 463 G N 0.173 108.974 108.800 0.003 0.000 2.485 463 G HA2 -0.037 3.923 3.960 0.000 0.000 0.221 463 G HA3 -0.037 3.923 3.960 0.000 0.000 0.221 463 G C 0.536 175.437 174.900 0.002 0.000 1.115 463 G CA 1.051 46.153 45.100 0.003 0.000 0.751 463 G HN 1.049 nan 8.290 nan 0.000 0.567 464 D N 1.185 121.585 120.400 0.001 0.000 2.368 464 D HA 0.150 4.790 4.640 0.000 0.000 0.268 464 D C -0.053 176.247 176.300 0.000 0.000 1.298 464 D CA 0.149 54.150 54.000 0.001 0.000 0.938 464 D CB -0.122 40.678 40.800 0.000 0.000 1.101 464 D HN 0.172 nan 8.370 nan 0.000 0.509 465 D N 2.571 122.971 120.400 0.000 0.000 2.760 465 D HA -0.196 4.444 4.640 0.000 0.000 0.244 465 D C 1.027 177.327 176.300 0.001 0.000 1.096 465 D CA 0.668 54.668 54.000 -0.000 0.000 0.716 465 D CB -1.197 39.603 40.800 -0.001 0.000 1.075 465 D HN 0.493 nan 8.370 nan 0.000 0.434 466 A N 0.542 123.363 122.820 0.002 0.000 1.881 466 A HA -0.236 4.084 4.320 0.000 0.000 0.219 466 A C 1.178 178.764 177.584 0.003 0.000 1.215 466 A CA 1.413 53.452 52.037 0.003 0.000 0.648 466 A CB 0.105 19.107 19.000 0.003 0.000 0.832 466 A HN 0.267 nan 8.150 nan 0.000 0.455 467 E N -0.876 119.326 120.200 0.003 0.000 2.267 467 E HA 0.533 4.883 4.350 0.000 0.000 0.241 467 E C -0.691 175.911 176.600 0.003 0.000 0.950 467 E CA 0.452 56.854 56.400 0.003 0.000 0.776 467 E CB 0.666 30.368 29.700 0.003 0.000 1.207 467 E HN 0.558 nan 8.360 nan 0.000 0.436 468 A N 1.498 124.319 122.820 0.001 0.000 2.822 468 A HA 0.118 4.438 4.320 0.000 0.000 0.208 468 A C 0.650 178.232 177.584 -0.003 0.000 1.653 468 A CA 0.111 52.149 52.037 0.001 0.000 1.521 468 A CB -0.537 18.462 19.000 -0.001 0.000 1.031 468 A HN 0.430 nan 8.150 nan 0.000 0.756 469 T N -3.734 110.817 114.554 -0.004 0.000 3.312 469 T HA 0.105 4.455 4.350 0.000 0.000 0.266 469 T C 1.491 176.184 174.700 -0.011 0.000 0.849 469 T CA 0.657 62.748 62.100 -0.015 0.000 0.897 469 T CB -0.292 68.563 68.868 -0.021 0.000 1.251 469 T HN 0.288 nan 8.240 nan 0.000 0.564 470 R N 2.426 122.928 120.500 0.003 0.000 2.061 470 R HA 0.353 4.693 4.340 0.000 0.000 0.230 470 R C 2.599 178.911 176.300 0.020 0.000 1.140 470 R CA 2.052 58.162 56.100 0.015 0.000 0.940 470 R CB -1.005 29.304 30.300 0.014 0.000 0.839 470 R HN 0.399 nan 8.270 nan 0.000 0.429 471 A N 0.658 123.487 122.820 0.014 0.000 1.972 471 A HA -0.152 4.168 4.320 0.000 0.000 0.219 471 A C 2.244 179.843 177.584 0.024 0.000 1.169 471 A CA 1.550 53.598 52.037 0.019 0.000 0.635 471 A CB -0.618 18.390 19.000 0.013 0.000 0.810 471 A HN 0.447 nan 8.150 nan 0.000 0.446 472 R N -0.916 119.592 120.500 0.014 0.000 2.070 472 R HA -0.109 4.231 4.340 0.000 0.000 0.233 472 R C 1.795 178.107 176.300 0.020 0.000 1.137 472 R CA 1.553 57.660 56.100 0.011 0.000 0.945 472 R CB -0.383 29.914 30.300 -0.006 0.000 0.845 472 R HN 0.365 nan 8.270 nan 0.000 0.430 473 L N 0.940 122.169 121.223 0.009 0.000 2.083 473 L HA -0.125 4.215 4.340 0.000 0.000 0.209 473 L C 2.194 179.141 176.870 0.127 0.000 1.083 473 L CA 1.517 56.373 54.840 0.026 0.000 0.752 473 L CB -0.462 41.579 42.059 -0.030 0.000 0.899 473 L HN 0.290 nan 8.230 nan 0.000 0.433 474 I N -1.040 119.589 120.570 0.098 0.000 2.252 474 I HA -0.276 3.894 4.170 0.000 0.000 0.245 474 I C 2.568 178.765 176.117 0.134 0.000 1.102 474 I CA 1.082 62.447 61.300 0.107 0.000 1.385 474 I CB -0.354 37.677 38.000 0.053 0.000 1.064 474 I HN 0.411 nan 8.210 nan 0.000 0.414 475 Q N 1.480 121.336 119.800 0.093 0.000 2.119 475 Q HA -0.233 4.107 4.340 0.000 0.000 0.201 475 Q C 1.788 177.845 176.000 0.096 0.000 0.972 475 Q CA 1.717 57.571 55.803 0.084 0.000 0.847 475 Q CB -0.027 28.743 28.738 0.053 0.000 0.903 475 Q HN 0.555 nan 8.270 nan 0.000 0.433 476 E N -0.774 119.485 120.200 0.098 0.000 2.107 476 E HA -0.166 4.184 4.350 0.000 0.000 0.191 476 E C 1.790 178.463 176.600 0.121 0.000 0.982 476 E CA 1.007 57.458 56.400 0.086 0.000 0.809 476 E CB -0.184 29.553 29.700 0.062 0.000 0.756 476 E HN 0.369 nan 8.360 nan 0.000 0.459 477 Y N 2.317 122.659 120.300 0.071 0.000 2.163 477 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 477 Y C 2.176 178.120 175.900 0.074 0.000 1.136 477 Y CA 2.058 60.210 58.100 0.086 0.000 1.147 477 Y CB -0.010 38.515 38.460 0.109 0.000 0.987 477 Y HN 0.062 nan 8.280 nan 0.000 0.509 478 E N -1.064 119.327 120.200 0.318 0.000 2.106 478 E HA -0.208 4.142 4.350 0.000 0.000 0.192 478 E C 1.392 178.055 176.600 0.105 0.000 0.984 478 E CA 1.497 58.035 56.400 0.229 0.000 0.806 478 E CB -0.481 29.342 29.700 0.206 0.000 0.750 478 E HN 0.375 nan 8.360 nan 0.000 0.458 479 D N 1.027 121.474 120.400 0.079 0.000 2.219 479 D HA -0.039 4.601 4.640 0.000 0.000 0.205 479 D C 1.731 178.040 176.300 0.014 0.000 0.970 479 D CA 1.474 55.502 54.000 0.047 0.000 0.851 479 D CB 0.047 40.871 40.800 0.040 0.000 0.943 479 D HN 0.379 nan 8.370 nan 0.000 0.488 480 A N -0.452 122.351 122.820 -0.029 0.000 1.973 480 A HA 0.073 4.393 4.320 0.000 0.000 0.210 480 A C 1.754 179.269 177.584 -0.114 0.000 1.200 480 A CA 0.378 52.370 52.037 -0.075 0.000 0.707 480 A CB 0.183 19.117 19.000 -0.110 0.000 0.862 480 A HN 0.104 nan 8.150 nan 0.000 0.461 481 L N -1.228 119.877 121.223 -0.197 0.000 2.537 481 L HA 0.289 4.629 4.340 0.000 0.000 0.224 481 L C 0.176 177.003 176.870 -0.071 0.000 1.065 481 L CA 0.577 55.297 54.840 -0.200 0.000 0.860 481 L CB -1.031 40.756 42.059 -0.453 0.000 1.086 481 L HN 0.210 nan 8.230 nan 0.000 0.482 482 L N 3.172 124.405 121.223 0.017 0.000 2.376 482 L HA 0.173 4.513 4.340 0.000 0.000 0.250 482 L C 0.398 177.271 176.870 0.006 0.000 1.335 482 L CA 0.351 55.222 54.840 0.052 0.000 1.214 482 L CB -1.222 40.944 42.059 0.179 0.000 1.395 482 L HN 0.443 nan 8.230 nan 0.000 0.424 483 N N 0.036 118.700 118.700 -0.060 0.000 3.106 483 N HA 0.429 5.169 4.740 0.000 0.000 0.253 483 N C -2.864 172.510 175.510 -0.226 0.000 1.506 483 N CA -1.176 51.817 53.050 -0.096 0.000 0.876 483 N CB 1.874 40.394 38.487 0.055 0.000 1.452 483 N HN -0.220 nan 8.380 nan 0.000 0.542 484 P HA 0.120 nan 4.420 nan 0.000 0.261 484 P C 0.499 177.554 177.300 -0.409 0.000 1.268 484 P CA 0.376 63.224 63.100 -0.420 0.000 0.833 484 P CB -0.045 31.395 31.700 -0.433 0.000 1.231 485 Y N 0.875 121.133 120.300 -0.069 0.000 2.274 485 Y HA -0.108 4.442 4.550 0.000 0.000 0.290 485 Y C 2.570 178.413 175.900 -0.095 0.000 1.145 485 Y CA 1.624 59.683 58.100 -0.070 0.000 1.203 485 Y CB -1.822 36.604 38.460 -0.057 0.000 0.984 485 Y HN -0.035 nan 8.280 nan 0.000 0.533 486 T N -0.423 114.125 114.554 -0.010 0.000 2.857 486 T HA -0.087 4.263 4.350 0.000 0.000 0.266 486 T C 2.236 176.837 174.700 -0.165 0.000 1.048 486 T CA 1.091 63.143 62.100 -0.080 0.000 1.139 486 T CB -0.481 68.325 68.868 -0.102 0.000 0.874 486 T HN 0.418 nan 8.240 nan 0.000 0.455 487 A N 1.306 124.026 122.820 -0.167 0.000 1.969 487 A HA 0.247 4.567 4.320 0.000 0.000 0.218 487 A C 2.544 180.048 177.584 -0.134 0.000 1.169 487 A CA 1.580 53.511 52.037 -0.177 0.000 0.635 487 A CB -0.811 18.134 19.000 -0.091 0.000 0.810 487 A HN 0.493 nan 8.150 nan 0.000 0.445 488 A N -0.341 122.428 122.820 -0.086 0.000 1.930 488 A HA -0.062 4.258 4.320 0.000 0.000 0.215 488 A C 1.863 179.425 177.584 -0.037 0.000 1.176 488 A CA 1.357 53.375 52.037 -0.031 0.000 0.632 488 A CB -0.395 18.616 19.000 0.019 0.000 0.819 488 A HN 0.591 nan 8.150 nan 0.000 0.445 489 E N -0.351 119.814 120.200 -0.058 0.000 2.085 489 E HA -0.169 4.181 4.350 0.000 0.000 0.194 489 E C 1.713 178.249 176.600 -0.107 0.000 0.994 489 E CA 0.961 57.322 56.400 -0.065 0.000 0.801 489 E CB -0.043 29.614 29.700 -0.072 0.000 0.743 489 E HN 0.328 nan 8.360 nan 0.000 0.453 490 R N -0.669 119.696 120.500 -0.226 0.000 2.310 490 R HA 0.082 4.423 4.340 0.000 0.000 0.202 490 R C 1.240 177.479 176.300 -0.101 0.000 0.933 490 R CA 0.751 56.679 56.100 -0.288 0.000 1.054 490 R CB 0.220 30.037 30.300 -0.804 0.000 0.985 490 R HN 0.304 nan 8.270 nan 0.000 0.489 491 G N 0.885 109.664 108.800 -0.035 0.000 2.153 491 G HA2 -0.337 3.623 3.960 0.000 0.000 0.252 491 G HA3 -0.337 3.623 3.960 0.000 0.000 0.252 491 G C 0.748 175.775 174.900 0.211 0.000 0.994 491 G CA 0.449 45.594 45.100 0.076 0.000 0.698 491 G HN 0.502 nan 8.290 nan 0.000 0.521 492 Y N -0.363 119.958 120.300 0.035 0.000 2.333 492 Y HA 0.055 4.605 4.550 0.000 0.000 0.290 492 Y C 1.798 177.678 175.900 -0.033 0.000 1.144 492 Y CA 0.984 59.107 58.100 0.038 0.000 1.228 492 Y CB 0.182 38.742 38.460 0.167 0.000 0.985 492 Y HN 0.469 nan 8.280 nan 0.000 0.542 493 V N -3.256 116.737 119.914 0.132 0.000 2.604 493 V HA 0.240 4.360 4.120 0.000 0.000 0.305 493 V C -0.026 176.076 176.094 0.013 0.000 1.043 493 V CA -1.059 61.259 62.300 0.030 0.000 0.888 493 V CB 2.006 33.825 31.823 -0.006 0.000 0.995 493 V HN 0.031 nan 8.190 nan 0.000 0.429 494 D N 2.537 122.930 120.400 -0.012 0.000 2.224 494 D HA 0.262 4.902 4.640 0.000 0.000 0.205 494 D C 0.731 177.027 176.300 -0.007 0.000 0.965 494 D CA 1.905 55.903 54.000 -0.003 0.000 0.852 494 D CB 0.872 41.668 40.800 -0.007 0.000 0.947 494 D HN 0.960 nan 8.370 nan 0.000 0.494 495 A N -0.006 122.792 122.820 -0.037 0.000 2.605 495 A HA 0.460 4.780 4.320 0.000 0.000 0.294 495 A C -1.315 176.234 177.584 -0.058 0.000 1.062 495 A CA -0.624 51.389 52.037 -0.040 0.000 0.682 495 A CB 1.579 20.539 19.000 -0.067 0.000 1.278 495 A HN -0.105 nan 8.150 nan 0.000 0.410 496 V N 2.876 122.780 119.914 -0.017 0.000 2.347 496 V HA 0.561 4.681 4.120 0.000 0.000 0.280 496 V C 0.040 176.145 176.094 0.018 0.000 1.021 496 V CA -0.124 62.167 62.300 -0.013 0.000 0.847 496 V CB 0.640 32.463 31.823 0.000 0.000 0.990 496 V HN 0.830 nan 8.190 nan 0.000 0.444 497 I N 1.683 122.266 120.570 0.022 0.000 2.846 497 I HA 0.657 4.827 4.170 0.000 0.000 0.307 497 I C -0.207 175.893 176.117 -0.027 0.000 1.053 497 I CA -1.084 60.225 61.300 0.014 0.000 1.050 497 I CB 1.964 39.924 38.000 -0.066 0.000 1.239 497 I HN 0.297 nan 8.210 nan 0.000 0.439 498 M N 3.839 123.407 119.600 -0.053 0.000 2.238 498 M HA 0.202 4.682 4.480 0.000 0.000 0.350 498 M C -1.663 174.408 176.300 -0.382 0.000 1.321 498 M CA -1.880 53.316 55.300 -0.174 0.000 1.097 498 M CB 0.135 32.675 32.600 -0.099 0.000 1.713 498 M HN 0.452 nan 8.290 nan 0.000 0.455 499 P HA -0.161 nan 4.420 nan 0.000 0.217 499 P C 1.218 178.159 177.300 -0.598 0.000 1.148 499 P CA 1.612 63.821 63.100 -1.486 0.000 0.834 499 P CB 0.041 30.625 31.700 -1.859 0.000 0.783 500 S N -2.079 113.416 115.700 -0.342 0.000 2.507 500 S HA -0.091 4.379 4.470 0.000 0.000 0.235 500 S C 1.278 175.866 174.600 -0.019 0.000 0.988 500 S CA 0.972 59.094 58.200 -0.131 0.000 0.944 500 S CB -0.785 62.357 63.200 -0.096 0.000 0.762 500 S HN 0.107 nan 8.310 nan 0.000 0.526 501 D N 1.136 121.543 120.400 0.010 0.000 2.363 501 D HA 0.157 4.797 4.640 0.000 0.000 0.214 501 D C 1.133 177.586 176.300 0.254 0.000 1.093 501 D CA 0.286 54.359 54.000 0.121 0.000 0.837 501 D CB 0.163 41.060 40.800 0.161 0.000 0.948 501 D HN 0.379 nan 8.370 nan 0.000 0.507 502 T N 0.681 115.384 114.554 0.248 0.000 2.652 502 T HA -0.201 4.149 4.350 0.000 0.000 0.267 502 T C 1.972 176.847 174.700 0.290 0.000 1.039 502 T CA 1.019 63.327 62.100 0.347 0.000 1.153 502 T CB 0.112 69.270 68.868 0.484 0.000 0.863 502 T HN 0.187 nan 8.240 nan 0.000 0.428 503 R N 0.916 121.558 120.500 0.236 0.000 2.096 503 R HA -0.112 4.229 4.340 0.000 0.000 0.240 503 R C 2.627 179.012 176.300 0.142 0.000 1.139 503 R CA 1.556 57.770 56.100 0.190 0.000 0.952 503 R CB -0.196 30.197 30.300 0.155 0.000 0.854 503 R HN 0.276 nan 8.270 nan 0.000 0.436 504 R N -0.550 120.011 120.500 0.103 0.000 2.082 504 R HA -0.197 4.143 4.340 0.000 0.000 0.234 504 R C 2.281 178.582 176.300 0.003 0.000 1.136 504 R CA 2.049 58.161 56.100 0.019 0.000 0.935 504 R CB -0.478 29.791 30.300 -0.051 0.000 0.842 504 R HN 0.475 nan 8.270 nan 0.000 0.430 505 H N 0.172 119.286 119.070 0.075 0.000 2.352 505 H HA -0.137 4.419 4.556 0.000 0.000 0.299 505 H C 2.263 177.630 175.328 0.064 0.000 1.097 505 H CA 1.955 58.043 56.048 0.066 0.000 1.311 505 H CB -0.141 29.665 29.762 0.074 0.000 1.377 505 H HN 0.301 nan 8.280 nan 0.000 0.504 506 I N -0.088 120.604 120.570 0.203 0.000 2.252 506 I HA -0.214 3.956 4.170 0.000 0.000 0.245 506 I C 2.558 178.743 176.117 0.114 0.000 1.102 506 I CA 0.552 61.939 61.300 0.145 0.000 1.385 506 I CB -0.137 37.962 38.000 0.164 0.000 1.064 506 I HN 0.001 nan 8.210 nan 0.000 0.414 507 V N 1.791 121.767 119.914 0.103 0.000 2.261 507 V HA -0.258 3.862 4.120 0.000 0.000 0.246 507 V C 2.744 178.873 176.094 0.059 0.000 1.047 507 V CA 2.093 64.440 62.300 0.080 0.000 1.015 507 V CB -0.815 31.049 31.823 0.067 0.000 0.642 507 V HN 0.518 nan 8.190 nan 0.000 0.446 508 R N 1.208 121.733 120.500 0.042 0.000 2.148 508 R HA -0.057 4.283 4.340 0.000 0.000 0.227 508 R C 2.104 178.430 176.300 0.043 0.000 1.103 508 R CA 2.027 58.143 56.100 0.027 0.000 0.983 508 R CB -1.210 29.084 30.300 -0.009 0.000 0.874 508 R HN 0.449 nan 8.270 nan 0.000 0.451 509 G N 1.597 110.437 108.800 0.065 0.000 2.394 509 G HA2 -0.126 3.834 3.960 0.000 0.000 0.215 509 G HA3 -0.126 3.834 3.960 0.000 0.000 0.215 509 G C 1.736 176.669 174.900 0.055 0.000 1.165 509 G CA 0.516 45.656 45.100 0.067 0.000 0.784 509 G HN 0.267 nan 8.290 nan 0.000 0.535 510 L N -0.245 121.015 121.223 0.062 0.000 2.141 510 L HA 0.005 4.345 4.340 0.000 0.000 0.209 510 L C 3.135 180.035 176.870 0.051 0.000 1.094 510 L CA 0.614 55.490 54.840 0.060 0.000 0.763 510 L CB -0.290 41.815 42.059 0.076 0.000 0.908 510 L HN 0.153 nan 8.230 nan 0.000 0.437 511 R N -0.441 120.086 120.500 0.047 0.000 2.091 511 R HA -0.182 4.158 4.340 0.000 0.000 0.238 511 R C 2.368 178.686 176.300 0.031 0.000 1.136 511 R CA 1.337 57.459 56.100 0.037 0.000 0.959 511 R CB -0.197 30.122 30.300 0.032 0.000 0.856 511 R HN 0.453 nan 8.270 nan 0.000 0.437 512 Q N -0.091 119.728 119.800 0.031 0.000 2.062 512 Q HA -0.024 4.316 4.340 0.000 0.000 0.196 512 Q C 2.008 178.024 176.000 0.026 0.000 0.967 512 Q CA 0.743 56.562 55.803 0.026 0.000 0.832 512 Q CB 0.063 28.817 28.738 0.027 0.000 0.899 512 Q HN 0.254 nan 8.270 nan 0.000 0.442 513 L N 1.508 122.749 121.223 0.030 0.000 2.465 513 L HA -0.094 4.246 4.340 0.000 0.000 0.224 513 L C 2.304 179.191 176.870 0.029 0.000 1.145 513 L CA 1.206 56.063 54.840 0.027 0.000 0.834 513 L CB -0.884 41.193 42.059 0.029 0.000 0.944 513 L HN 0.330 nan 8.230 nan 0.000 0.451 514 R N -0.204 120.315 120.500 0.032 0.000 2.241 514 R HA -0.100 4.240 4.340 0.000 0.000 0.224 514 R C 1.494 177.809 176.300 0.024 0.000 1.101 514 R CA 1.558 57.677 56.100 0.033 0.000 0.995 514 R CB -0.903 29.418 30.300 0.035 0.000 0.870 514 R HN 0.392 nan 8.270 nan 0.000 0.463 515 T N -1.725 112.841 114.554 0.019 0.000 3.107 515 T HA 0.080 4.430 4.350 0.000 0.000 0.249 515 T C 0.572 175.279 174.700 0.012 0.000 1.096 515 T CA -0.503 61.606 62.100 0.014 0.000 1.012 515 T CB 0.064 68.939 68.868 0.011 0.000 0.977 515 T HN 0.234 nan 8.240 nan 0.000 0.527 516 K N 2.040 122.448 120.400 0.014 0.000 2.530 516 K HA -0.010 4.310 4.320 0.000 0.000 0.280 516 K C -0.538 176.066 176.600 0.007 0.000 1.004 516 K CA 0.320 56.613 56.287 0.010 0.000 1.071 516 K CB 0.304 32.812 32.500 0.012 0.000 0.876 516 K HN 0.362 nan 8.250 nan 0.000 0.487 517 R N 3.909 124.411 120.500 0.003 0.000 2.500 517 R HA 0.259 4.599 4.340 0.000 0.000 0.299 517 R C -1.026 175.271 176.300 -0.004 0.000 1.038 517 R CA -0.782 55.318 56.100 -0.000 0.000 0.903 517 R CB 1.594 31.894 30.300 -0.000 0.000 1.177 517 R HN 0.606 nan 8.270 nan 0.000 0.455 518 E N 1.238 121.434 120.200 -0.006 0.000 2.408 518 E HA 0.444 4.794 4.350 0.000 0.000 0.275 518 E C -1.052 175.540 176.600 -0.014 0.000 0.935 518 E CA -0.625 55.769 56.400 -0.011 0.000 0.775 518 E CB 2.626 32.318 29.700 -0.013 0.000 1.277 518 E HN 0.609 nan 8.360 nan 0.000 0.455 519 S N 0.499 116.188 115.700 -0.017 0.000 2.541 519 S HA 0.642 5.112 4.470 0.000 0.000 0.271 519 S C -0.362 174.223 174.600 -0.024 0.000 1.133 519 S CA -0.856 57.333 58.200 -0.019 0.000 0.876 519 S CB 0.886 64.076 63.200 -0.016 0.000 1.105 519 S HN 0.347 nan 8.310 nan 0.000 0.470 520 L N 0.904 122.111 121.223 -0.027 0.000 2.469 520 L HA 0.557 4.897 4.340 0.000 0.000 0.253 520 L C -2.164 174.691 176.870 -0.026 0.000 1.143 520 L CA -2.258 52.562 54.840 -0.033 0.000 0.804 520 L CB -0.340 41.696 42.059 -0.039 0.000 1.214 520 L HN 0.441 nan 8.230 nan 0.000 0.476 521 P HA 0.147 nan 4.420 nan 0.000 0.271 521 P C -2.465 174.823 177.300 -0.020 0.000 1.218 521 P CA -0.883 62.204 63.100 -0.022 0.000 0.780 521 P CB -0.230 31.456 31.700 -0.023 0.000 0.901 522 P HA 0.083 nan 4.420 nan 0.000 0.265 522 P C -0.713 176.571 177.300 -0.026 0.000 1.193 522 P CA 0.314 63.402 63.100 -0.020 0.000 0.765 522 P CB 0.499 32.188 31.700 -0.019 0.000 0.823 523 K N 0.517 120.899 120.400 -0.030 0.000 2.642 523 K HA 0.300 4.620 4.320 0.000 0.000 0.290 523 K C 0.192 176.756 176.600 -0.060 0.000 1.006 523 K CA -1.079 55.176 56.287 -0.053 0.000 0.869 523 K CB 1.044 33.515 32.500 -0.050 0.000 1.499 523 K HN -0.075 nan 8.250 nan 0.000 0.403 524 K N -0.067 120.259 120.400 -0.124 0.000 2.057 524 K HA -0.092 4.228 4.320 0.000 0.000 0.206 524 K C -0.079 176.515 176.600 -0.009 0.000 1.050 524 K CA 2.042 58.270 56.287 -0.098 0.000 0.935 524 K CB -0.299 32.087 32.500 -0.190 0.000 0.715 524 K HN 0.826 nan 8.250 nan 0.000 0.439 525 H N -4.430 114.646 119.070 0.009 0.000 2.919 525 H HA 0.340 4.896 4.556 0.000 0.000 0.270 525 H C -0.291 175.066 175.328 0.049 0.000 1.412 525 H CA -0.648 55.414 56.048 0.022 0.000 1.261 525 H CB 0.156 29.922 29.762 0.008 0.000 1.850 525 H HN 0.051 nan 8.280 nan 0.000 0.478 526 G N -0.678 108.288 108.800 0.276 0.000 2.611 526 G HA2 0.189 4.149 3.960 0.000 0.000 0.273 526 G HA3 0.189 4.149 3.960 0.000 0.000 0.273 526 G C -0.379 174.689 174.900 0.280 0.000 1.305 526 G CA -0.422 44.857 45.100 0.298 0.000 1.010 526 G HN 0.916 nan 8.290 nan 0.000 0.509 527 N N -0.597 118.211 118.700 0.179 0.000 2.642 527 N HA 0.123 4.863 4.740 0.000 0.000 0.308 527 N C 0.100 175.505 175.510 -0.175 0.000 1.914 527 N CA -0.462 52.614 53.050 0.043 0.000 0.893 527 N CB 0.326 38.852 38.487 0.067 0.000 1.322 527 N HN 0.435 nan 8.380 nan 0.000 0.490 528 I N 1.545 121.778 120.570 -0.562 0.000 2.880 528 I HA 0.026 4.197 4.170 0.000 0.000 0.296 528 I C -2.004 173.852 176.117 -0.436 0.000 1.220 528 I CA -0.939 59.733 61.300 -1.046 0.000 1.435 528 I CB 0.784 38.042 38.000 -1.236 0.000 1.339 528 I HN 0.212 nan 8.210 nan 0.000 0.583 529 P HA 0.140 nan 4.420 nan 0.000 0.268 529 P C -0.944 176.273 177.300 -0.138 0.000 1.205 529 P CA -0.143 62.869 63.100 -0.147 0.000 0.771 529 P CB 0.652 32.304 31.700 -0.080 0.000 0.858 530 L N 0.000 121.166 121.223 -0.095 0.000 2.949 530 L HA 0.000 4.340 4.340 0.000 0.000 0.249 530 L CA 0.000 54.792 54.840 -0.079 0.000 0.813 530 L CB 0.000 42.009 42.059 -0.084 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502