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 3foq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTFPGDTAVL VLAAGPGTRM RSDTPKVLHT LAGRSMLSHV LHAIAKLAPQ DATA SEQUENCE RLIVVLGHDH QRIAPLVGEL ADTLGRTIDV ALQDRPLGTG HAVLCGLSAL DATA SEQUENCE PDDYAGNVVV TSGDTPLLDA DTLADLIATH RAVSAAVTVL TTTLDXXXXX DATA SEQUENCE XRILRTQDHE VMAIVXQXXX XXXXXXXXEV NAGVYAFDIA ALRSALSRXX DATA SEQUENCE XXXXXXXLYL TDVIAILRSD GQTVHASHVD DSALVAGVNN RVQLAELASE DATA SEQUENCE LNRRVVAAHQ LAGVTVVDPA TTWIDVDVTI GRDTVIHPGT QLLGRTQIGG DATA SEQUENCE RCVVGPDTTL TDVAVGDGAS VVRTHGSSSS IGDGAAVGPF TYLRPGTALG DATA SEQUENCE ADGKLGAFVE VKNSTIGTGT KVPHLTYVGD ADIGEYSNIG ASSVFVNXXX DATA SEQUENCE XXXXRTTVGS HVRTGSDTMF VAPVTIGDGA YTGAGTVVRE DVPPGALAVS DATA SEQUENCE AGPQRNIENW VQRKRPGSPA AQA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.004 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 T N 1.572 116.129 114.554 0.006 0.000 2.767 2 T HA 1.047 5.397 4.350 -0.000 0.000 0.284 2 T C -0.725 173.980 174.700 0.008 0.000 0.973 2 T CA 0.651 62.755 62.100 0.007 0.000 0.996 2 T CB -0.218 68.654 68.868 0.007 0.000 0.927 2 T HN 2.354 nan 8.240 nan 0.000 0.456 3 F N 3.694 123.649 119.950 0.009 0.000 2.672 3 F HA 0.727 5.254 4.527 -0.000 0.000 0.311 3 F C -2.715 173.092 175.800 0.012 0.000 1.113 3 F CA -1.964 56.042 58.000 0.010 0.000 0.996 3 F CB 0.313 39.319 39.000 0.009 0.000 1.286 3 F HN 0.732 nan 8.300 nan 0.000 0.441 4 P HA 0.665 nan 4.420 nan 0.000 0.297 4 P C 0.789 178.101 177.300 0.020 0.000 1.307 4 P CA 0.714 63.826 63.100 0.019 0.000 0.773 4 P CB 1.280 32.994 31.700 0.022 0.000 1.265 5 G N -0.451 108.363 108.800 0.025 0.000 3.078 5 G HA2 0.028 3.988 3.960 -0.000 0.000 0.163 5 G HA3 0.028 3.988 3.960 -0.000 0.000 0.163 5 G C -0.639 174.276 174.900 0.025 0.000 1.894 5 G CA 0.250 45.363 45.100 0.022 0.000 0.951 5 G HN 0.579 nan 8.290 nan 0.000 0.446 6 D N 0.670 121.086 120.400 0.026 0.000 2.467 6 D HA 0.486 5.126 4.640 -0.000 0.000 0.220 6 D C -0.138 176.205 176.300 0.071 0.000 1.103 6 D CA -0.276 53.741 54.000 0.028 0.000 0.886 6 D CB 0.224 41.010 40.800 -0.024 0.000 1.025 6 D HN 0.360 nan 8.370 nan 0.000 0.514 7 T N 0.045 114.660 114.554 0.100 0.000 2.903 7 T HA 0.837 5.186 4.350 -0.000 0.000 0.299 7 T C -0.632 174.155 174.700 0.145 0.000 1.093 7 T CA -1.100 61.071 62.100 0.118 0.000 1.002 7 T CB 1.824 70.727 68.868 0.058 0.000 1.127 7 T HN 0.241 nan 8.240 nan 0.000 0.488 8 A N 1.751 124.644 122.820 0.122 0.000 2.343 8 A HA 0.730 5.050 4.320 -0.000 0.000 0.308 8 A C -0.648 176.934 177.584 -0.003 0.000 1.092 8 A CA -0.790 51.262 52.037 0.024 0.000 0.751 8 A CB 1.255 20.171 19.000 -0.141 0.000 1.203 8 A HN 0.875 nan 8.150 nan 0.000 0.452 9 V N 3.756 123.664 119.914 -0.009 0.000 2.398 9 V HA 0.396 4.515 4.120 -0.000 0.000 0.286 9 V C -0.230 175.858 176.094 -0.011 0.000 1.026 9 V CA -0.275 62.025 62.300 0.001 0.000 0.868 9 V CB 1.138 32.965 31.823 0.008 0.000 0.982 9 V HN 0.747 nan 8.190 nan 0.000 0.443 10 L N 5.449 126.674 121.223 0.003 0.000 2.287 10 L HA 0.575 4.915 4.340 -0.000 0.000 0.287 10 L C -0.499 176.382 176.870 0.020 0.000 1.022 10 L CA -0.703 54.135 54.840 -0.003 0.000 0.814 10 L CB 1.823 43.876 42.059 -0.009 0.000 1.217 10 L HN 0.370 nan 8.230 nan 0.000 0.420 11 V N 5.102 125.021 119.914 0.009 0.000 2.407 11 V HA 0.317 4.436 4.120 -0.000 0.000 0.278 11 V C 0.208 176.314 176.094 0.020 0.000 1.037 11 V CA -0.436 61.876 62.300 0.020 0.000 0.900 11 V CB 1.634 33.465 31.823 0.013 0.000 0.983 11 V HN 0.522 nan 8.190 nan 0.000 0.459 12 L N 4.852 126.096 121.223 0.036 0.000 2.287 12 L HA 0.626 4.965 4.340 -0.000 0.000 0.280 12 L C 0.586 177.475 176.870 0.032 0.000 1.055 12 L CA -0.165 54.697 54.840 0.036 0.000 0.863 12 L CB 0.986 43.081 42.059 0.059 0.000 1.245 12 L HN 0.763 nan 8.230 nan 0.000 0.432 13 A N 2.452 125.281 122.820 0.014 0.000 2.956 13 A HA 0.631 4.950 4.320 -0.000 0.000 0.294 13 A C 0.931 178.505 177.584 -0.015 0.000 0.993 13 A CA 0.032 52.073 52.037 0.006 0.000 1.032 13 A CB 0.451 19.451 19.000 -0.000 0.000 1.129 13 A HN 0.688 nan 8.150 nan 0.000 0.505 14 A N -0.358 122.464 122.820 0.002 0.000 2.390 14 A HA 0.539 4.858 4.320 -0.000 0.000 0.232 14 A C 1.208 178.806 177.584 0.025 0.000 1.233 14 A CA 0.497 52.533 52.037 -0.002 0.000 0.907 14 A CB -0.147 18.861 19.000 0.014 0.000 0.967 14 A HN 0.931 nan 8.150 nan 0.000 0.512 15 G N 1.044 109.867 108.800 0.037 0.000 2.398 15 G HA2 0.398 4.358 3.960 -0.000 0.000 0.246 15 G HA3 0.398 4.358 3.960 -0.000 0.000 0.246 15 G C -0.587 174.363 174.900 0.083 0.000 1.289 15 G CA -0.541 44.594 45.100 0.058 0.000 0.869 15 G HN 0.193 nan 8.290 nan 0.000 0.543 16 P HA 0.010 nan 4.420 nan 0.000 0.219 16 P C 1.152 178.523 177.300 0.117 0.000 1.150 16 P CA 1.138 64.314 63.100 0.127 0.000 0.814 16 P CB 0.183 31.934 31.700 0.086 0.000 0.787 17 G N -0.040 108.809 108.800 0.082 0.000 2.326 17 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.286 17 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.286 17 G C 0.666 175.594 174.900 0.047 0.000 1.096 17 G CA 0.465 45.603 45.100 0.064 0.000 1.003 17 G HN 0.311 nan 8.290 nan 0.000 0.503 18 T N -0.362 114.215 114.554 0.038 0.000 2.951 18 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 18 T C 2.439 177.148 174.700 0.016 0.000 1.073 18 T CA 1.424 63.540 62.100 0.027 0.000 1.134 18 T CB -0.012 68.871 68.868 0.026 0.000 0.884 18 T HN 0.559 nan 8.240 nan 0.000 0.479 19 R N 0.521 121.028 120.500 0.012 0.000 2.189 19 R HA 0.183 4.523 4.340 -0.000 0.000 0.218 19 R C 2.263 178.554 176.300 -0.014 0.000 1.074 19 R CA 0.714 56.815 56.100 0.001 0.000 0.991 19 R CB -0.200 30.101 30.300 0.002 0.000 0.883 19 R HN 0.269 nan 8.270 nan 0.000 0.457 20 M N 0.313 119.899 119.600 -0.022 0.000 2.254 20 M HA -0.000 4.479 4.480 -0.000 0.000 0.265 20 M C 0.147 176.431 176.300 -0.027 0.000 1.066 20 M CA 0.889 56.153 55.300 -0.059 0.000 1.123 20 M CB -0.215 32.326 32.600 -0.099 0.000 1.388 20 M HN 0.038 nan 8.290 nan 0.000 0.425 21 R N 0.596 121.098 120.500 0.003 0.000 3.209 21 R HA -0.105 4.235 4.340 -0.000 0.000 0.252 21 R C -0.241 176.080 176.300 0.036 0.000 0.958 21 R CA 0.406 56.516 56.100 0.016 0.000 0.651 21 R CB -2.773 27.532 30.300 0.009 0.000 1.142 21 R HN 0.364 nan 8.270 nan 0.000 0.441 22 S N -0.938 114.798 115.700 0.061 0.000 2.549 22 S HA 0.404 4.874 4.470 -0.000 0.000 0.280 22 S C 0.691 175.339 174.600 0.081 0.000 1.109 22 S CA -0.808 57.455 58.200 0.106 0.000 0.905 22 S CB 1.533 64.880 63.200 0.245 0.000 1.081 22 S HN 0.185 nan 8.310 nan 0.000 0.477 23 D N 1.772 122.205 120.400 0.056 0.000 2.194 23 D HA 0.030 4.669 4.640 -0.000 0.000 0.204 23 D C 0.293 176.609 176.300 0.027 0.000 0.964 23 D CA 1.092 55.105 54.000 0.022 0.000 0.846 23 D CB -0.134 40.670 40.800 0.007 0.000 0.962 23 D HN 0.518 nan 8.370 nan 0.000 0.490 24 T N 4.044 118.624 114.554 0.044 0.000 2.761 24 T HA 0.212 4.562 4.350 -0.000 0.000 0.296 24 T C -2.337 172.437 174.700 0.123 0.000 0.934 24 T CA -1.378 60.736 62.100 0.024 0.000 1.091 24 T CB 1.530 70.331 68.868 -0.112 0.000 0.896 24 T HN -0.018 nan 8.240 nan 0.000 0.515 25 P HA -0.036 nan 4.420 nan 0.000 0.264 25 P C 0.891 178.363 177.300 0.288 0.000 1.179 25 P CA -0.060 63.193 63.100 0.255 0.000 0.763 25 P CB 0.885 32.754 31.700 0.282 0.000 0.806 26 K N 2.280 122.832 120.400 0.254 0.000 2.044 26 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 26 K C 1.417 178.156 176.600 0.232 0.000 1.049 26 K CA 1.957 58.376 56.287 0.220 0.000 0.927 26 K CB -0.417 32.136 32.500 0.089 0.000 0.713 26 K HN 0.201 nan 8.250 nan 0.000 0.443 27 V N 1.352 121.356 119.914 0.151 0.000 2.970 27 V HA -0.139 3.981 4.120 -0.000 0.000 0.260 27 V C 2.001 178.168 176.094 0.121 0.000 1.100 27 V CA 1.094 63.461 62.300 0.112 0.000 1.122 27 V CB -0.326 31.535 31.823 0.064 0.000 0.721 27 V HN 0.304 nan 8.190 nan 0.000 0.483 28 L N -1.068 120.228 121.223 0.122 0.000 2.591 28 L HA 0.126 4.466 4.340 -0.000 0.000 0.228 28 L C 0.896 177.785 176.870 0.033 0.000 1.133 28 L CA 0.051 54.927 54.840 0.061 0.000 0.880 28 L CB -0.371 41.699 42.059 0.019 0.000 1.033 28 L HN 0.400 nan 8.230 nan 0.000 0.450 29 H N 1.119 120.217 119.070 0.047 0.000 2.848 29 H HA 0.070 4.626 4.556 -0.000 0.000 0.317 29 H C 0.305 175.663 175.328 0.050 0.000 1.046 29 H CA 0.192 56.263 56.048 0.039 0.000 1.470 29 H CB 0.869 30.650 29.762 0.032 0.000 1.483 29 H HN 0.098 nan 8.280 nan 0.000 0.548 30 T N 2.335 116.956 114.554 0.112 0.000 2.882 30 T HA 0.540 4.890 4.350 -0.000 0.000 0.287 30 T C 0.262 175.024 174.700 0.102 0.000 0.992 30 T CA -1.053 61.108 62.100 0.101 0.000 1.076 30 T CB 0.788 69.686 68.868 0.050 0.000 0.961 30 T HN 0.531 nan 8.240 nan 0.000 0.490 31 L N -0.113 121.188 121.223 0.129 0.000 2.505 31 L HA 0.764 5.104 4.340 -0.000 0.000 0.266 31 L C 0.275 177.241 176.870 0.160 0.000 0.954 31 L CA -1.206 53.693 54.840 0.098 0.000 0.852 31 L CB 1.337 43.426 42.059 0.050 0.000 1.282 31 L HN 1.081 nan 8.230 nan 0.000 0.403 32 A N 2.274 125.178 122.820 0.139 0.000 2.745 32 A HA 0.160 4.480 4.320 -0.000 0.000 0.296 32 A C 1.461 179.144 177.584 0.165 0.000 1.500 32 A CA 1.585 53.733 52.037 0.184 0.000 0.766 32 A CB -2.041 17.089 19.000 0.217 0.000 1.030 32 A HN 2.744 nan 8.150 nan 0.000 0.489 33 G N -1.826 107.040 108.800 0.110 0.000 3.047 33 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.203 33 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.203 33 G C 0.229 175.144 174.900 0.025 0.000 1.444 33 G CA 0.353 45.485 45.100 0.053 0.000 1.020 33 G HN 1.178 nan 8.290 nan 0.000 0.563 34 R N 1.136 121.649 120.500 0.023 0.000 2.758 34 R HA 0.673 5.012 4.340 -0.000 0.000 0.265 34 R C 0.716 177.088 176.300 0.119 0.000 1.016 34 R CA 0.058 56.113 56.100 -0.075 0.000 1.040 34 R CB 1.521 31.543 30.300 -0.464 0.000 1.152 34 R HN 0.602 nan 8.270 nan 0.000 0.503 35 S N 0.421 116.176 115.700 0.091 0.000 2.624 35 S HA 0.114 4.584 4.470 -0.000 0.000 0.263 35 S C 1.293 176.054 174.600 0.267 0.000 1.287 35 S CA -0.622 57.672 58.200 0.157 0.000 0.990 35 S CB 0.687 63.940 63.200 0.089 0.000 0.950 35 S HN 0.567 nan 8.310 nan 0.000 0.561 36 M N -0.003 119.722 119.600 0.209 0.000 2.159 36 M HA -0.049 4.431 4.480 -0.000 0.000 0.263 36 M C 1.983 178.380 176.300 0.162 0.000 1.063 36 M CA 1.165 56.575 55.300 0.184 0.000 1.110 36 M CB -0.773 31.895 32.600 0.114 0.000 1.374 36 M HN 0.737 nan 8.290 nan 0.000 0.411 37 L N -0.424 120.872 121.223 0.121 0.000 2.093 37 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 37 L C 2.614 179.544 176.870 0.101 0.000 1.085 37 L CA 1.589 56.482 54.840 0.088 0.000 0.755 37 L CB -0.499 41.593 42.059 0.055 0.000 0.904 37 L HN 0.159 nan 8.230 nan 0.000 0.435 38 S N -1.678 114.088 115.700 0.110 0.000 2.402 38 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 38 S C 1.949 176.645 174.600 0.161 0.000 1.021 38 S CA 1.325 59.605 58.200 0.134 0.000 0.974 38 S CB -0.395 62.842 63.200 0.061 0.000 0.800 38 S HN 0.696 nan 8.310 nan 0.000 0.484 39 H N -0.233 118.903 119.070 0.111 0.000 2.389 39 H HA 0.054 4.609 4.556 -0.000 0.000 0.299 39 H C 2.062 177.444 175.328 0.090 0.000 1.081 39 H CA 1.683 57.778 56.048 0.079 0.000 1.345 39 H CB 0.014 29.802 29.762 0.042 0.000 1.393 39 H HN 0.225 nan 8.280 nan 0.000 0.520 40 V N 0.368 120.397 119.914 0.192 0.000 2.323 40 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 40 V C 2.256 178.403 176.094 0.089 0.000 1.041 40 V CA 1.472 63.842 62.300 0.117 0.000 1.025 40 V CB -0.437 31.436 31.823 0.084 0.000 0.656 40 V HN 0.351 nan 8.190 nan 0.000 0.451 41 L N -0.877 120.390 121.223 0.073 0.000 2.201 41 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 41 L C 2.472 179.324 176.870 -0.030 0.000 1.105 41 L CA 1.386 56.230 54.840 0.007 0.000 0.775 41 L CB -0.665 41.375 42.059 -0.032 0.000 0.913 41 L HN 0.409 nan 8.230 nan 0.000 0.440 42 H N -0.589 118.478 119.070 -0.004 0.000 2.389 42 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 42 H C 2.281 177.611 175.328 0.003 0.000 1.081 42 H CA 1.313 57.353 56.048 -0.013 0.000 1.345 42 H CB 0.082 29.820 29.762 -0.039 0.000 1.393 42 H HN 0.315 nan 8.280 nan 0.000 0.520 43 A N 0.356 123.257 122.820 0.135 0.000 1.930 43 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 43 A C 2.200 179.812 177.584 0.047 0.000 1.175 43 A CA 1.264 53.352 52.037 0.084 0.000 0.627 43 A CB -0.506 18.541 19.000 0.079 0.000 0.815 43 A HN 0.369 nan 8.150 nan 0.000 0.443 44 I N -0.426 120.164 120.570 0.034 0.000 2.500 44 I HA -0.144 4.026 4.170 -0.000 0.000 0.252 44 I C 2.738 178.857 176.117 0.002 0.000 1.142 44 I CA 0.868 62.177 61.300 0.015 0.000 1.451 44 I CB -0.196 37.809 38.000 0.008 0.000 1.093 44 I HN 0.298 nan 8.210 nan 0.000 0.430 45 A N 0.766 123.579 122.820 -0.012 0.000 2.066 45 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 45 A C 2.274 179.855 177.584 -0.005 0.000 1.157 45 A CA 1.111 53.131 52.037 -0.029 0.000 0.670 45 A CB -0.320 18.629 19.000 -0.085 0.000 0.804 45 A HN 0.288 nan 8.150 nan 0.000 0.453 46 K N -0.374 120.036 120.400 0.016 0.000 2.057 46 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 46 K C 1.785 178.394 176.600 0.015 0.000 1.049 46 K CA 1.740 58.041 56.287 0.023 0.000 0.931 46 K CB -0.395 32.126 32.500 0.035 0.000 0.714 46 K HN 0.618 nan 8.250 nan 0.000 0.440 47 L N -1.829 119.402 121.223 0.014 0.000 2.209 47 L HA 0.344 4.684 4.340 -0.000 0.000 0.207 47 L C 0.481 177.357 176.870 0.010 0.000 1.094 47 L CA 0.568 55.415 54.840 0.012 0.000 0.790 47 L CB -0.578 41.489 42.059 0.013 0.000 0.932 47 L HN 0.018 nan 8.230 nan 0.000 0.447 48 A N 0.624 123.448 122.820 0.006 0.000 1.641 48 A HA -0.049 4.271 4.320 -0.000 0.000 0.211 48 A C -2.137 175.454 177.584 0.012 0.000 1.300 48 A CA 0.103 52.142 52.037 0.004 0.000 0.653 48 A CB -2.112 16.889 19.000 0.001 0.000 1.164 48 A HN 0.461 nan 8.150 nan 0.000 0.206 49 P HA 0.438 nan 4.420 nan 0.000 0.293 49 P C 0.709 178.031 177.300 0.036 0.000 1.304 49 P CA -0.104 63.014 63.100 0.029 0.000 0.767 49 P CB 0.573 32.290 31.700 0.029 0.000 1.247 50 Q N -1.275 118.564 119.800 0.064 0.000 2.187 50 Q HA 0.095 4.434 4.340 -0.000 0.000 0.199 50 Q C 0.506 176.550 176.000 0.074 0.000 0.957 50 Q CA 1.472 57.324 55.803 0.082 0.000 0.857 50 Q CB 0.118 28.936 28.738 0.132 0.000 0.929 50 Q HN 0.248 nan 8.270 nan 0.000 0.453 51 R N -0.076 120.459 120.500 0.057 0.000 2.673 51 R HA 0.512 4.851 4.340 -0.000 0.000 0.281 51 R C -1.645 174.641 176.300 -0.025 0.000 0.991 51 R CA -0.922 55.177 56.100 -0.003 0.000 0.896 51 R CB 1.838 32.093 30.300 -0.075 0.000 1.201 51 R HN 0.031 nan 8.270 nan 0.000 0.457 52 L N 4.087 125.290 121.223 -0.034 0.000 2.441 52 L HA 0.586 4.926 4.340 -0.000 0.000 0.270 52 L C -1.478 175.366 176.870 -0.043 0.000 0.973 52 L CA -0.256 54.564 54.840 -0.034 0.000 0.842 52 L CB 1.444 43.487 42.059 -0.026 0.000 1.239 52 L HN 0.569 nan 8.230 nan 0.000 0.406 53 I N 5.243 125.785 120.570 -0.047 0.000 2.582 53 I HA 0.585 4.755 4.170 -0.000 0.000 0.292 53 I C -0.889 175.207 176.117 -0.036 0.000 1.066 53 I CA -1.016 60.255 61.300 -0.049 0.000 1.053 53 I CB 2.264 40.223 38.000 -0.067 0.000 1.241 53 I HN 0.175 nan 8.210 nan 0.000 0.421 54 V N 6.098 125.992 119.914 -0.033 0.000 2.417 54 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 54 V C 0.046 176.123 176.094 -0.028 0.000 1.024 54 V CA -0.807 61.478 62.300 -0.025 0.000 0.861 54 V CB 1.783 33.593 31.823 -0.022 0.000 0.985 54 V HN 0.418 nan 8.190 nan 0.000 0.436 55 V N 6.650 126.550 119.914 -0.022 0.000 2.498 55 V HA 0.474 4.593 4.120 -0.000 0.000 0.279 55 V C -0.018 176.061 176.094 -0.024 0.000 1.048 55 V CA -0.237 62.050 62.300 -0.022 0.000 0.967 55 V CB 1.154 32.967 31.823 -0.017 0.000 0.988 55 V HN 0.632 nan 8.190 nan 0.000 0.473 56 L N 3.126 124.331 121.223 -0.030 0.000 2.354 56 L HA 0.688 5.028 4.340 -0.000 0.000 0.264 56 L C 1.135 177.979 176.870 -0.043 0.000 1.008 56 L CA -0.430 54.377 54.840 -0.054 0.000 0.819 56 L CB 2.029 44.046 42.059 -0.070 0.000 1.339 56 L HN 0.700 nan 8.230 nan 0.000 0.420 57 G N -0.332 108.420 108.800 -0.079 0.000 2.558 57 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.218 57 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.218 57 G C 0.121 175.026 174.900 0.008 0.000 1.567 57 G CA 0.031 45.120 45.100 -0.020 0.000 0.950 57 G HN 0.820 nan 8.290 nan 0.000 0.517 58 H N 0.643 119.736 119.070 0.037 0.000 3.157 58 H HA 0.379 4.935 4.556 -0.000 0.000 0.260 58 H C 0.669 176.030 175.328 0.054 0.000 1.232 58 H CA 0.023 56.098 56.048 0.044 0.000 1.488 58 H CB 0.464 30.251 29.762 0.041 0.000 1.548 58 H HN 0.386 nan 8.280 nan 0.000 0.487 59 D N 2.407 122.840 120.400 0.055 0.000 2.162 59 D HA -0.216 4.424 4.640 -0.000 0.000 0.203 59 D C 1.441 177.776 176.300 0.059 0.000 0.967 59 D CA 0.841 54.850 54.000 0.014 0.000 0.840 59 D CB -0.345 40.470 40.800 0.026 0.000 0.972 59 D HN 0.711 nan 8.370 nan 0.000 0.482 60 H N 0.510 119.605 119.070 0.041 0.000 2.421 60 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 60 H C 2.167 177.522 175.328 0.044 0.000 1.087 60 H CA 1.899 57.970 56.048 0.038 0.000 1.330 60 H CB 0.148 29.935 29.762 0.041 0.000 1.388 60 H HN 0.179 nan 8.280 nan 0.000 0.526 61 Q N -0.272 119.624 119.800 0.159 0.000 2.269 61 Q HA -0.010 4.329 4.340 -0.000 0.000 0.201 61 Q C 1.598 177.620 176.000 0.038 0.000 0.946 61 Q CA 0.523 56.392 55.803 0.110 0.000 0.877 61 Q CB 0.349 29.196 28.738 0.182 0.000 0.963 61 Q HN 0.435 nan 8.270 nan 0.000 0.472 62 R N -0.342 120.161 120.500 0.004 0.000 2.280 62 R HA 0.126 4.466 4.340 -0.000 0.000 0.195 62 R C 1.766 178.036 176.300 -0.050 0.000 0.935 62 R CA 0.204 56.283 56.100 -0.035 0.000 1.033 62 R CB 0.242 30.491 30.300 -0.085 0.000 0.964 62 R HN 0.263 nan 8.270 nan 0.000 0.489 63 I N 0.859 121.385 120.570 -0.073 0.000 3.428 63 I HA -0.048 4.121 4.170 -0.000 0.000 0.286 63 I C 1.919 177.977 176.117 -0.099 0.000 1.287 63 I CA 0.212 61.456 61.300 -0.093 0.000 1.396 63 I CB 0.158 38.082 38.000 -0.126 0.000 1.062 63 I HN 0.077 nan 8.210 nan 0.000 0.471 64 A N 1.710 124.476 122.820 -0.090 0.000 1.855 64 A HA 0.062 4.381 4.320 -0.000 0.000 0.213 64 A C -0.213 177.344 177.584 -0.044 0.000 1.195 64 A CA 0.945 52.940 52.037 -0.071 0.000 0.610 64 A CB -1.777 17.188 19.000 -0.058 0.000 0.837 64 A HN 0.309 nan 8.150 nan 0.000 0.444 65 P HA 0.035 nan 4.420 nan 0.000 0.220 65 P C 0.542 177.828 177.300 -0.025 0.000 1.152 65 P CA 0.493 63.581 63.100 -0.021 0.000 0.812 65 P CB 0.056 31.751 31.700 -0.010 0.000 0.792 66 L N -0.338 120.866 121.223 -0.032 0.000 2.397 66 L HA 0.031 4.371 4.340 -0.000 0.000 0.271 66 L C 1.143 177.988 176.870 -0.041 0.000 1.148 66 L CA -0.020 54.799 54.840 -0.035 0.000 0.825 66 L CB 0.534 42.572 42.059 -0.036 0.000 1.117 66 L HN -0.157 nan 8.230 nan 0.000 0.456 67 V N 2.325 122.214 119.914 -0.041 0.000 0.489 67 V HA -0.401 3.719 4.120 -0.000 0.000 0.092 67 V C 1.637 177.709 176.094 -0.037 0.000 2.367 67 V CA 2.003 64.279 62.300 -0.040 0.000 3.630 67 V CB -2.150 29.650 31.823 -0.039 0.000 0.914 67 V HN 1.032 nan 8.190 nan 0.000 0.957 68 G N -1.024 107.754 108.800 -0.037 0.000 2.434 68 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.214 68 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.214 68 G C 1.110 175.994 174.900 -0.026 0.000 1.202 68 G CA 1.496 46.577 45.100 -0.031 0.000 0.788 68 G HN 0.651 nan 8.290 nan 0.000 0.539 69 E N -0.583 119.602 120.200 -0.025 0.000 2.251 69 E HA 0.277 4.627 4.350 -0.000 0.000 0.194 69 E C 2.476 179.063 176.600 -0.021 0.000 0.964 69 E CA -0.078 56.311 56.400 -0.018 0.000 0.868 69 E CB 0.122 29.816 29.700 -0.010 0.000 0.828 69 E HN 0.337 nan 8.360 nan 0.000 0.481 70 L N -0.073 121.130 121.223 -0.033 0.000 2.084 70 L HA 0.089 4.428 4.340 -0.000 0.000 0.202 70 L C 2.250 179.071 176.870 -0.082 0.000 1.074 70 L CA 1.093 55.898 54.840 -0.058 0.000 0.757 70 L CB -0.260 41.765 42.059 -0.057 0.000 0.918 70 L HN 0.123 nan 8.230 nan 0.000 0.444 71 A N -0.419 122.362 122.820 -0.064 0.000 1.969 71 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 71 A C 1.779 179.333 177.584 -0.050 0.000 1.169 71 A CA 1.819 53.820 52.037 -0.061 0.000 0.635 71 A CB -0.469 18.503 19.000 -0.047 0.000 0.810 71 A HN 0.352 nan 8.150 nan 0.000 0.445 72 D N -0.698 119.679 120.400 -0.040 0.000 2.183 72 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 72 D C 1.927 178.210 176.300 -0.028 0.000 0.969 72 D CA 1.711 55.693 54.000 -0.029 0.000 0.842 72 D CB -0.400 40.387 40.800 -0.023 0.000 0.957 72 D HN 0.400 nan 8.370 nan 0.000 0.484 73 T N 0.430 114.965 114.554 -0.033 0.000 2.851 73 T HA 0.032 4.382 4.350 -0.000 0.000 0.262 73 T C 2.154 176.832 174.700 -0.036 0.000 1.043 73 T CA 0.464 62.550 62.100 -0.022 0.000 1.140 73 T CB -0.116 68.750 68.868 -0.004 0.000 0.872 73 T HN 0.090 nan 8.240 nan 0.000 0.446 74 L N 0.376 121.552 121.223 -0.078 0.000 2.072 74 L HA 0.188 4.528 4.340 -0.000 0.000 0.205 74 L C 2.068 178.907 176.870 -0.053 0.000 1.079 74 L CA 1.077 55.861 54.840 -0.093 0.000 0.752 74 L CB -0.516 41.449 42.059 -0.157 0.000 0.906 74 L HN 0.544 nan 8.230 nan 0.000 0.436 75 G N 0.617 109.390 108.800 -0.045 0.000 2.135 75 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.183 75 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.183 75 G C 0.115 174.998 174.900 -0.027 0.000 1.004 75 G CA 0.022 45.105 45.100 -0.029 0.000 0.677 75 G HN 0.492 nan 8.290 nan 0.000 0.512 76 R N -0.987 119.492 120.500 -0.035 0.000 2.668 76 R HA 0.686 5.026 4.340 -0.000 0.000 0.272 76 R C -0.613 175.669 176.300 -0.031 0.000 1.019 76 R CA -0.655 55.428 56.100 -0.028 0.000 0.894 76 R CB 0.695 30.979 30.300 -0.026 0.000 1.228 76 R HN 0.042 nan 8.270 nan 0.000 0.460 77 T N 3.329 117.869 114.554 -0.023 0.000 2.870 77 T HA 0.323 4.672 4.350 -0.000 0.000 0.300 77 T C 0.354 175.038 174.700 -0.028 0.000 0.989 77 T CA -0.052 62.034 62.100 -0.024 0.000 1.139 77 T CB 0.199 69.057 68.868 -0.017 0.000 0.920 77 T HN 0.349 nan 8.240 nan 0.000 0.537 78 I N 2.829 123.379 120.570 -0.033 0.000 2.433 78 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 78 I C -0.061 176.035 176.117 -0.034 0.000 1.001 78 I CA -1.042 60.237 61.300 -0.035 0.000 1.119 78 I CB 1.726 39.702 38.000 -0.041 0.000 1.289 78 I HN 0.475 nan 8.210 nan 0.000 0.438 79 D N 4.802 125.180 120.400 -0.036 0.000 2.294 79 D HA 0.424 5.064 4.640 -0.000 0.000 0.250 79 D C -0.554 175.723 176.300 -0.037 0.000 1.058 79 D CA -0.210 53.768 54.000 -0.037 0.000 0.950 79 D CB 2.604 43.378 40.800 -0.043 0.000 1.158 79 D HN 0.049 nan 8.370 nan 0.000 0.453 80 V N 0.909 120.802 119.914 -0.035 0.000 2.448 80 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 80 V C 0.051 176.126 176.094 -0.032 0.000 1.025 80 V CA -0.750 61.530 62.300 -0.033 0.000 0.859 80 V CB 1.364 33.168 31.823 -0.031 0.000 0.988 80 V HN 0.673 nan 8.190 nan 0.000 0.431 81 A N 5.500 128.300 122.820 -0.034 0.000 2.324 81 A HA 0.943 5.263 4.320 -0.000 0.000 0.330 81 A C -1.127 176.443 177.584 -0.024 0.000 1.165 81 A CA -0.518 51.498 52.037 -0.034 0.000 0.813 81 A CB 1.037 20.010 19.000 -0.045 0.000 1.197 81 A HN 0.694 nan 8.150 nan 0.000 0.484 82 L N 1.351 122.563 121.223 -0.017 0.000 2.333 82 L HA 0.444 4.784 4.340 -0.000 0.000 0.280 82 L C 0.251 177.126 176.870 0.008 0.000 1.004 82 L CA 0.034 54.873 54.840 -0.001 0.000 0.820 82 L CB 1.895 43.959 42.059 0.009 0.000 1.247 82 L HN 0.837 nan 8.230 nan 0.000 0.416 83 Q N 1.981 121.795 119.800 0.023 0.000 2.274 83 Q HA 0.161 4.501 4.340 -0.000 0.000 0.256 83 Q C -0.196 175.842 176.000 0.064 0.000 0.927 83 Q CA -0.482 55.355 55.803 0.058 0.000 0.939 83 Q CB 1.292 30.071 28.738 0.068 0.000 1.201 83 Q HN 0.625 nan 8.270 nan 0.000 0.426 84 D N 3.070 123.524 120.400 0.089 0.000 2.120 84 D HA -0.044 4.596 4.640 -0.000 0.000 0.202 84 D C 0.153 176.470 176.300 0.029 0.000 0.972 84 D CA 1.163 55.199 54.000 0.059 0.000 0.837 84 D CB 0.348 41.189 40.800 0.068 0.000 0.989 84 D HN 0.400 nan 8.370 nan 0.000 0.469 85 R N 0.376 120.880 120.500 0.005 0.000 2.533 85 R HA 0.295 4.635 4.340 -0.000 0.000 0.288 85 R C -2.845 173.397 176.300 -0.096 0.000 1.039 85 R CA -1.658 54.407 56.100 -0.058 0.000 0.909 85 R CB 2.431 32.668 30.300 -0.104 0.000 1.195 85 R HN -0.242 nan 8.270 nan 0.000 0.438 86 P HA 0.067 nan 4.420 nan 0.000 0.266 86 P C -0.183 177.049 177.300 -0.113 0.000 1.419 86 P CA 0.272 63.342 63.100 -0.050 0.000 1.112 86 P CB 0.359 32.052 31.700 -0.011 0.000 1.438 87 L N 1.316 122.428 121.223 -0.186 0.000 2.388 87 L HA 0.445 4.785 4.340 -0.000 0.000 0.209 87 L C 1.285 177.991 176.870 -0.273 0.000 1.061 87 L CA 0.575 55.264 54.840 -0.252 0.000 0.834 87 L CB -0.094 41.726 42.059 -0.399 0.000 1.029 87 L HN 0.475 nan 8.230 nan 0.000 0.473 88 G N -1.301 107.384 108.800 -0.191 0.000 2.321 88 G HA2 0.145 4.105 3.960 -0.000 0.000 0.296 88 G HA3 0.145 4.105 3.960 -0.000 0.000 0.296 88 G C 0.208 175.085 174.900 -0.037 0.000 1.287 88 G CA 0.216 45.174 45.100 -0.236 0.000 0.846 88 G HN -0.092 nan 8.290 nan 0.000 0.508 89 T N -2.104 112.473 114.554 0.038 0.000 2.942 89 T HA 0.144 4.493 4.350 -0.000 0.000 0.265 89 T C 2.382 177.101 174.700 0.032 0.000 1.062 89 T CA 2.157 64.308 62.100 0.084 0.000 1.139 89 T CB -0.240 68.724 68.868 0.161 0.000 0.883 89 T HN 1.288 nan 8.240 nan 0.000 0.468 90 G N 0.375 109.181 108.800 0.010 0.000 2.408 90 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 90 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 90 G C 1.382 176.259 174.900 -0.038 0.000 1.150 90 G CA 0.743 45.821 45.100 -0.038 0.000 0.776 90 G HN 0.675 nan 8.290 nan 0.000 0.542 91 H N 0.598 119.611 119.070 -0.095 0.000 2.428 91 H HA 0.288 4.844 4.556 -0.001 0.000 0.296 91 H C 2.607 177.894 175.328 -0.068 0.000 1.062 91 H CA 1.341 57.338 56.048 -0.085 0.000 1.350 91 H CB 0.048 29.756 29.762 -0.090 0.000 1.403 91 H HN 0.280 nan 8.280 nan 0.000 0.533 92 A N -0.165 122.668 122.820 0.021 0.000 1.930 92 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 92 A C 2.492 180.035 177.584 -0.068 0.000 1.175 92 A CA 1.480 53.512 52.037 -0.009 0.000 0.627 92 A CB -0.712 18.306 19.000 0.031 0.000 0.815 92 A HN 0.320 nan 8.150 nan 0.000 0.443 93 V N -0.462 119.404 119.914 -0.081 0.000 2.453 93 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 93 V C 2.433 178.434 176.094 -0.155 0.000 1.048 93 V CA 1.704 63.940 62.300 -0.108 0.000 1.049 93 V CB -0.654 31.088 31.823 -0.134 0.000 0.672 93 V HN 0.558 nan 8.190 nan 0.000 0.457 94 L N -0.274 120.830 121.223 -0.198 0.000 2.131 94 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 94 L C 2.284 179.017 176.870 -0.229 0.000 1.092 94 L CA 1.986 56.689 54.840 -0.229 0.000 0.759 94 L CB -0.600 41.288 42.059 -0.285 0.000 0.903 94 L HN 0.351 nan 8.230 nan 0.000 0.435 95 C N -0.561 118.590 119.300 -0.247 0.000 2.446 95 C HA 0.068 4.527 4.460 -0.000 0.000 0.279 95 C C 2.664 177.583 174.990 -0.118 0.000 1.366 95 C CA 0.459 59.369 59.018 -0.180 0.000 1.763 95 C CB -1.763 25.888 27.740 -0.148 0.000 1.929 95 C HN 0.739 nan 8.230 nan 0.000 0.509 96 G N 0.207 108.940 108.800 -0.111 0.000 2.464 96 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.217 96 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.217 96 G C 1.477 176.310 174.900 -0.111 0.000 1.138 96 G CA 0.304 45.348 45.100 -0.094 0.000 0.793 96 G HN 0.517 nan 8.290 nan 0.000 0.539 97 L N 1.754 122.903 121.223 -0.124 0.000 2.395 97 L HA -0.006 4.334 4.340 -0.000 0.000 0.218 97 L C 3.100 179.904 176.870 -0.111 0.000 1.130 97 L CA 0.979 55.742 54.840 -0.128 0.000 0.826 97 L CB -0.110 41.873 42.059 -0.126 0.000 0.941 97 L HN 0.371 nan 8.230 nan 0.000 0.451 98 S N 0.043 115.682 115.700 -0.101 0.000 2.402 98 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 98 S C 2.122 176.681 174.600 -0.069 0.000 1.021 98 S CA 0.773 58.925 58.200 -0.080 0.000 0.974 98 S CB -0.262 62.892 63.200 -0.077 0.000 0.800 98 S HN 0.336 nan 8.310 nan 0.000 0.484 99 A N 1.360 124.133 122.820 -0.078 0.000 2.014 99 A HA 0.373 4.693 4.320 -0.000 0.000 0.218 99 A C 1.113 178.646 177.584 -0.085 0.000 1.163 99 A CA 0.247 52.241 52.037 -0.071 0.000 0.652 99 A CB -0.565 18.393 19.000 -0.071 0.000 0.808 99 A HN 0.543 nan 8.150 nan 0.000 0.449 100 L N 0.839 121.987 121.223 -0.126 0.000 2.439 100 L HA 0.216 4.555 4.340 -0.000 0.000 0.269 100 L C -2.133 174.691 176.870 -0.077 0.000 1.179 100 L CA -1.882 52.855 54.840 -0.171 0.000 0.828 100 L CB 0.459 42.333 42.059 -0.309 0.000 1.106 100 L HN 0.085 nan 8.230 nan 0.000 0.467 101 P HA 0.007 nan 4.420 nan 0.000 0.269 101 P C -0.242 177.095 177.300 0.061 0.000 1.215 101 P CA -0.224 62.905 63.100 0.048 0.000 0.780 101 P CB 0.515 32.282 31.700 0.112 0.000 0.898 102 D N 0.583 121.008 120.400 0.042 0.000 2.264 102 D HA -0.111 4.529 4.640 -0.000 0.000 0.208 102 D C 0.552 176.886 176.300 0.058 0.000 0.966 102 D CA 1.275 55.296 54.000 0.036 0.000 0.864 102 D CB -0.124 40.686 40.800 0.017 0.000 0.933 102 D HN 0.552 nan 8.370 nan 0.000 0.499 103 D N -0.675 119.769 120.400 0.073 0.000 2.738 103 D HA -0.078 4.562 4.640 -0.000 0.000 0.246 103 D C -0.000 176.352 176.300 0.088 0.000 1.270 103 D CA -0.664 53.374 54.000 0.063 0.000 0.833 103 D CB -0.752 40.068 40.800 0.033 0.000 1.040 103 D HN 0.072 nan 8.370 nan 0.000 0.487 104 Y N 0.926 121.226 120.300 -0.001 0.000 2.336 104 Y HA 0.365 4.915 4.550 -0.001 0.000 0.331 104 Y C 1.148 177.053 175.900 0.009 0.000 1.211 104 Y CA 0.177 58.279 58.100 0.003 0.000 1.346 104 Y CB 1.672 40.132 38.460 -0.000 0.000 1.271 104 Y HN 0.097 nan 8.280 nan 0.000 0.538 105 A N 3.337 125.926 122.820 -0.384 0.000 2.074 105 A HA 0.336 4.655 4.320 -0.000 0.000 0.200 105 A C 1.134 178.637 177.584 -0.134 0.000 1.335 105 A CA 0.519 52.442 52.037 -0.190 0.000 0.922 105 A CB -0.739 18.148 19.000 -0.188 0.000 0.972 105 A HN 0.879 nan 8.150 nan 0.000 0.475 106 G N 0.403 109.007 108.800 -0.326 0.000 2.651 106 G HA2 0.353 4.313 3.960 -0.000 0.000 0.260 106 G HA3 0.353 4.313 3.960 -0.000 0.000 0.260 106 G C -0.307 174.733 174.900 0.232 0.000 1.216 106 G CA -0.479 44.617 45.100 -0.006 0.000 0.913 106 G HN 0.300 nan 8.290 nan 0.000 0.535 107 N N -1.434 117.373 118.700 0.179 0.000 2.444 107 N HA 0.230 4.969 4.740 -0.000 0.000 0.255 107 N C -0.326 175.261 175.510 0.129 0.000 1.255 107 N CA -0.127 53.007 53.050 0.139 0.000 0.933 107 N CB 1.654 40.163 38.487 0.037 0.000 1.143 107 N HN 0.112 nan 8.380 nan 0.000 0.453 108 V N 1.684 121.656 119.914 0.096 0.000 2.409 108 V HA 0.278 4.397 4.120 -0.000 0.000 0.291 108 V C -0.003 176.145 176.094 0.089 0.000 1.020 108 V CA -0.795 61.559 62.300 0.090 0.000 0.848 108 V CB 1.667 33.550 31.823 0.100 0.000 0.990 108 V HN 0.272 nan 8.190 nan 0.000 0.430 109 V N 5.831 125.779 119.914 0.056 0.000 2.370 109 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 109 V C -0.029 176.129 176.094 0.107 0.000 1.029 109 V CA -0.575 61.760 62.300 0.058 0.000 0.870 109 V CB 1.751 33.583 31.823 0.015 0.000 0.984 109 V HN 0.607 nan 8.190 nan 0.000 0.451 110 V N 4.353 124.378 119.914 0.186 0.000 2.370 110 V HA 0.605 4.725 4.120 -0.000 0.000 0.279 110 V C 0.244 176.441 176.094 0.171 0.000 1.029 110 V CA -0.032 62.399 62.300 0.220 0.000 0.870 110 V CB 1.518 33.573 31.823 0.387 0.000 0.984 110 V HN 0.968 nan 8.190 nan 0.000 0.451 111 T N 3.294 117.917 114.554 0.114 0.000 2.896 111 T HA 0.557 4.907 4.350 -0.000 0.000 0.297 111 T C -0.457 174.287 174.700 0.073 0.000 1.108 111 T CA -0.301 61.845 62.100 0.076 0.000 1.004 111 T CB 1.902 70.797 68.868 0.045 0.000 1.159 111 T HN 0.602 nan 8.240 nan 0.000 0.499 112 S N 1.247 116.983 115.700 0.059 0.000 2.565 112 S HA 0.512 4.982 4.470 -0.000 0.000 0.290 112 S C 1.423 176.050 174.600 0.047 0.000 1.150 112 S CA -0.315 57.919 58.200 0.057 0.000 1.058 112 S CB 1.470 64.704 63.200 0.056 0.000 1.032 112 S HN 0.922 nan 8.310 nan 0.000 0.510 113 G N 1.104 109.931 108.800 0.046 0.000 2.511 113 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 113 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 113 G C 0.625 175.556 174.900 0.052 0.000 1.133 113 G CA 0.258 45.387 45.100 0.048 0.000 0.792 113 G HN 0.820 nan 8.290 nan 0.000 0.539 114 D N 0.591 121.017 120.400 0.043 0.000 2.434 114 D HA 0.033 4.672 4.640 -0.000 0.000 0.232 114 D C -0.175 176.136 176.300 0.020 0.000 1.166 114 D CA 0.000 54.021 54.000 0.034 0.000 0.830 114 D CB -0.224 40.594 40.800 0.029 0.000 0.960 114 D HN 0.005 nan 8.370 nan 0.000 0.497 115 T N 2.332 116.899 114.554 0.022 0.000 3.155 115 T HA 0.235 4.585 4.350 -0.000 0.000 0.384 115 T C -1.814 172.889 174.700 0.005 0.000 1.351 115 T CA -1.132 60.971 62.100 0.005 0.000 1.198 115 T CB 1.998 70.869 68.868 0.004 0.000 1.106 115 T HN 0.001 nan 8.240 nan 0.000 0.564 116 P HA 0.081 nan 4.420 nan 0.000 0.220 116 P C 1.169 178.395 177.300 -0.124 0.000 1.152 116 P CA 0.281 63.319 63.100 -0.103 0.000 0.812 116 P CB 0.297 31.849 31.700 -0.248 0.000 0.792 117 L N -1.192 119.978 121.223 -0.087 0.000 2.554 117 L HA 0.100 4.440 4.340 -0.000 0.000 0.226 117 L C 1.183 178.044 176.870 -0.015 0.000 1.137 117 L CA 0.098 54.904 54.840 -0.058 0.000 0.863 117 L CB -1.019 41.007 42.059 -0.055 0.000 0.985 117 L HN -0.050 nan 8.230 nan 0.000 0.451 118 L N 1.678 122.900 121.223 -0.002 0.000 2.530 118 L HA 0.112 4.452 4.340 -0.000 0.000 0.273 118 L C 0.344 177.232 176.870 0.031 0.000 1.141 118 L CA 0.109 54.953 54.840 0.008 0.000 0.905 118 L CB -0.447 41.617 42.059 0.008 0.000 1.202 118 L HN 0.224 nan 8.230 nan 0.000 0.473 119 D N 3.621 124.034 120.400 0.021 0.000 2.549 119 D HA 0.290 4.930 4.640 -0.000 0.000 0.270 119 D C 0.717 177.032 176.300 0.024 0.000 1.181 119 D CA -0.038 53.981 54.000 0.031 0.000 1.070 119 D CB 1.060 41.873 40.800 0.022 0.000 1.154 119 D HN 0.441 nan 8.370 nan 0.000 0.602 120 A N -0.148 122.688 122.820 0.027 0.000 1.969 120 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 120 A C 1.597 179.188 177.584 0.011 0.000 1.169 120 A CA 1.347 53.397 52.037 0.021 0.000 0.635 120 A CB -0.538 18.476 19.000 0.024 0.000 0.810 120 A HN 0.556 nan 8.150 nan 0.000 0.445 121 D N -0.263 120.141 120.400 0.007 0.000 2.144 121 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 121 D C 1.860 178.158 176.300 -0.003 0.000 0.978 121 D CA 1.861 55.862 54.000 0.002 0.000 0.833 121 D CB -0.485 40.314 40.800 -0.002 0.000 0.961 121 D HN 0.431 nan 8.370 nan 0.000 0.470 122 T N 1.154 115.704 114.554 -0.006 0.000 2.857 122 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 122 T C 2.293 176.986 174.700 -0.012 0.000 1.048 122 T CA 0.432 62.523 62.100 -0.015 0.000 1.139 122 T CB -0.104 68.750 68.868 -0.024 0.000 0.874 122 T HN 0.105 nan 8.240 nan 0.000 0.455 123 L N 0.709 121.929 121.223 -0.005 0.000 2.156 123 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 123 L C 2.989 179.860 176.870 0.000 0.000 1.095 123 L CA 0.889 55.727 54.840 -0.003 0.000 0.770 123 L CB -0.555 41.507 42.059 0.005 0.000 0.914 123 L HN 0.234 nan 8.230 nan 0.000 0.439 124 A N -0.414 122.408 122.820 0.004 0.000 1.968 124 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 124 A C 1.892 179.480 177.584 0.007 0.000 1.169 124 A CA 1.565 53.606 52.037 0.007 0.000 0.638 124 A CB -0.338 18.666 19.000 0.007 0.000 0.812 124 A HN 0.305 nan 8.150 nan 0.000 0.446 125 D N -0.472 119.931 120.400 0.004 0.000 2.183 125 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 125 D C 1.817 178.124 176.300 0.011 0.000 0.969 125 D CA 0.946 54.950 54.000 0.006 0.000 0.842 125 D CB -0.198 40.605 40.800 0.004 0.000 0.957 125 D HN 0.381 nan 8.370 nan 0.000 0.484 126 L N 0.730 121.957 121.223 0.006 0.000 2.056 126 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 126 L C 2.043 178.930 176.870 0.029 0.000 1.078 126 L CA 1.361 56.206 54.840 0.009 0.000 0.749 126 L CB -0.372 41.678 42.059 -0.014 0.000 0.901 126 L HN -0.067 nan 8.230 nan 0.000 0.433 127 I N -0.358 120.225 120.570 0.021 0.000 2.353 127 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 127 I C 2.566 178.723 176.117 0.067 0.000 1.119 127 I CA 1.009 62.334 61.300 0.042 0.000 1.417 127 I CB -0.685 37.327 38.000 0.020 0.000 1.078 127 I HN 0.326 nan 8.210 nan 0.000 0.421 128 A N 0.466 123.306 122.820 0.033 0.000 1.930 128 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 128 A C 2.373 179.955 177.584 -0.004 0.000 1.175 128 A CA 2.221 54.267 52.037 0.016 0.000 0.627 128 A CB -0.967 18.037 19.000 0.007 0.000 0.815 128 A HN 0.384 nan 8.150 nan 0.000 0.443 129 T N -1.594 112.956 114.554 -0.006 0.000 2.904 129 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 129 T C 1.819 176.455 174.700 -0.107 0.000 1.059 129 T CA 1.609 63.665 62.100 -0.074 0.000 1.137 129 T CB -0.351 68.493 68.868 -0.040 0.000 0.879 129 T HN 0.773 nan 8.240 nan 0.000 0.467 130 H N 1.206 120.218 119.070 -0.096 0.000 2.389 130 H HA 0.134 4.690 4.556 -0.000 0.000 0.299 130 H C 2.408 177.696 175.328 -0.066 0.000 1.081 130 H CA 1.287 57.289 56.048 -0.077 0.000 1.345 130 H CB 0.126 29.867 29.762 -0.034 0.000 1.393 130 H HN 0.116 nan 8.280 nan 0.000 0.520 131 R N -0.467 120.027 120.500 -0.010 0.000 2.153 131 R HA 0.078 4.418 4.340 -0.000 0.000 0.218 131 R C 2.372 178.619 176.300 -0.089 0.000 1.072 131 R CA 0.653 56.727 56.100 -0.044 0.000 0.990 131 R CB 0.024 30.335 30.300 0.018 0.000 0.889 131 R HN 0.361 nan 8.270 nan 0.000 0.452 132 A N 0.937 123.695 122.820 -0.103 0.000 1.855 132 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 132 A C 2.125 179.636 177.584 -0.121 0.000 1.191 132 A CA 1.773 53.749 52.037 -0.102 0.000 0.613 132 A CB -0.477 18.459 19.000 -0.106 0.000 0.829 132 A HN 0.220 nan 8.150 nan 0.000 0.442 133 V N -3.814 115.989 119.914 -0.185 0.000 3.541 133 V HA 0.179 4.299 4.120 -0.000 0.000 0.267 133 V C 0.821 176.834 176.094 -0.135 0.000 1.213 133 V CA 0.679 62.889 62.300 -0.151 0.000 1.149 133 V CB -0.867 30.844 31.823 -0.187 0.000 0.822 133 V HN 0.587 nan 8.190 nan 0.000 0.462 134 S N 0.245 115.836 115.700 -0.182 0.000 3.682 134 S HA -0.145 4.325 4.470 -0.000 0.000 0.354 134 S C 0.643 175.125 174.600 -0.196 0.000 1.034 134 S CA 0.487 58.575 58.200 -0.187 0.000 1.084 134 S CB -1.908 61.233 63.200 -0.098 0.000 0.903 134 S HN 1.661 nan 8.310 nan 0.000 0.470 135 A N 0.381 123.036 122.820 -0.276 0.000 2.332 135 A HA 0.808 5.127 4.320 -0.000 0.000 0.258 135 A C 1.376 178.871 177.584 -0.148 0.000 1.087 135 A CA 0.179 52.119 52.037 -0.161 0.000 0.802 135 A CB 0.309 19.260 19.000 -0.081 0.000 1.042 135 A HN 1.119 nan 8.150 nan 0.000 0.489 136 A N 0.857 123.683 122.820 0.010 0.000 1.970 136 A HA 0.351 4.670 4.320 -0.000 0.000 0.216 136 A C 0.870 178.573 177.584 0.198 0.000 1.170 136 A CA 1.649 53.758 52.037 0.119 0.000 0.645 136 A CB -0.283 18.790 19.000 0.122 0.000 0.816 136 A HN 1.687 nan 8.150 nan 0.000 0.447 137 V N 0.311 120.285 119.914 0.099 0.000 2.623 137 V HA 0.574 4.693 4.120 -0.000 0.000 0.304 137 V C -1.385 174.720 176.094 0.019 0.000 1.054 137 V CA -0.270 61.995 62.300 -0.059 0.000 0.882 137 V CB 2.069 33.808 31.823 -0.140 0.000 1.002 137 V HN 0.199 nan 8.190 nan 0.000 0.424 138 T N 6.093 120.667 114.554 0.032 0.000 2.809 138 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 138 T C -0.892 173.816 174.700 0.013 0.000 0.992 138 T CA -0.332 61.831 62.100 0.106 0.000 0.957 138 T CB 1.449 70.453 68.868 0.227 0.000 0.942 138 T HN 0.771 nan 8.240 nan 0.000 0.439 139 V N 5.599 125.527 119.914 0.024 0.000 2.495 139 V HA 0.578 4.697 4.120 -0.000 0.000 0.298 139 V C -0.602 175.445 176.094 -0.079 0.000 1.031 139 V CA -1.074 61.183 62.300 -0.072 0.000 0.871 139 V CB 1.207 33.013 31.823 -0.027 0.000 0.988 139 V HN 0.822 nan 8.190 nan 0.000 0.432 140 L N 6.531 127.663 121.223 -0.153 0.000 2.380 140 L HA 0.527 4.867 4.340 -0.000 0.000 0.273 140 L C 0.443 177.239 176.870 -0.123 0.000 1.138 140 L CA 0.207 54.978 54.840 -0.115 0.000 0.832 140 L CB 1.432 43.415 42.059 -0.127 0.000 1.124 140 L HN 0.887 nan 8.230 nan 0.000 0.454 141 T N -1.056 113.448 114.554 -0.083 0.000 2.906 141 T HA 0.634 4.984 4.350 -0.000 0.000 0.295 141 T C -0.463 174.145 174.700 -0.154 0.000 1.061 141 T CA -0.754 61.310 62.100 -0.061 0.000 1.000 141 T CB 2.336 71.225 68.868 0.035 0.000 1.103 141 T HN 0.523 nan 8.240 nan 0.000 0.486 142 T N -0.057 114.426 114.554 -0.119 0.000 2.864 142 T HA 0.656 5.005 4.350 -0.000 0.000 0.299 142 T C -1.009 173.701 174.700 0.017 0.000 1.166 142 T CA -0.430 61.548 62.100 -0.203 0.000 1.007 142 T CB 2.059 70.814 68.868 -0.188 0.000 1.219 142 T HN 0.985 nan 8.240 nan 0.000 0.506 143 T N 2.467 117.069 114.554 0.080 0.000 2.867 143 T HA 0.744 5.094 4.350 -0.000 0.000 0.282 143 T C -0.673 174.050 174.700 0.040 0.000 1.000 143 T CA -0.523 61.641 62.100 0.107 0.000 1.042 143 T CB 0.117 69.080 68.868 0.158 0.000 0.973 143 T HN 0.443 nan 8.240 nan 0.000 0.465 144 L N 3.020 124.260 121.223 0.029 0.000 2.286 144 L HA 0.600 4.940 4.340 -0.000 0.000 0.265 144 L C -0.200 176.678 176.870 0.014 0.000 1.012 144 L CA -1.167 53.681 54.840 0.014 0.000 0.818 144 L CB 2.106 44.169 42.059 0.007 0.000 1.337 144 L HN 0.645 nan 8.230 nan 0.000 0.438 153 I N 3.652 124.232 120.570 0.018 0.000 2.533 153 I HA 0.141 4.311 4.170 -0.000 0.000 0.284 153 I C 0.934 177.061 176.117 0.016 0.000 1.109 153 I CA -0.163 61.151 61.300 0.023 0.000 1.412 153 I CB 0.301 38.317 38.000 0.027 0.000 1.396 153 I HN 0.370 nan 8.210 nan 0.000 0.543 154 L N 7.416 128.648 121.223 0.015 0.000 2.312 154 L HA 0.471 4.810 4.340 -0.000 0.000 0.281 154 L C 0.418 177.290 176.870 0.004 0.000 1.070 154 L CA -0.354 54.490 54.840 0.007 0.000 0.805 154 L CB 1.014 43.076 42.059 0.006 0.000 1.174 154 L HN 0.550 nan 8.230 nan 0.000 0.434 155 R N 0.602 121.097 120.500 -0.008 0.000 2.750 155 R HA 0.466 4.805 4.340 -0.000 0.000 0.281 155 R C -0.032 176.241 176.300 -0.044 0.000 0.972 155 R CA -0.376 55.711 56.100 -0.022 0.000 0.912 155 R CB 2.008 32.295 30.300 -0.022 0.000 1.187 155 R HN 0.732 nan 8.270 nan 0.000 0.464 156 T N 1.261 115.782 114.554 -0.054 0.000 3.379 156 T HA 0.014 4.363 4.350 -0.000 0.000 0.194 156 T C 0.938 175.579 174.700 -0.099 0.000 0.806 156 T CA 0.550 62.614 62.100 -0.059 0.000 2.531 156 T CB -0.049 68.794 68.868 -0.043 0.000 1.786 156 T HN 0.611 nan 8.240 nan 0.000 0.360 157 Q N -0.733 118.994 119.800 -0.121 0.000 2.427 157 Q HA 0.168 4.508 4.340 -0.000 0.000 0.249 157 Q C 0.343 176.211 176.000 -0.220 0.000 0.783 157 Q CA 0.061 55.769 55.803 -0.157 0.000 0.978 157 Q CB 0.730 29.415 28.738 -0.089 0.000 1.273 157 Q HN 0.279 nan 8.270 nan 0.000 0.524 158 D N 0.076 120.395 120.400 -0.136 0.000 2.587 158 D HA 0.097 4.737 4.640 -0.000 0.000 0.233 158 D C -1.172 175.137 176.300 0.014 0.000 1.213 158 D CA -0.141 53.824 54.000 -0.059 0.000 0.827 158 D CB -0.252 40.545 40.800 -0.005 0.000 1.006 158 D HN 0.177 nan 8.370 nan 0.000 0.490 159 H N -0.203 118.855 119.070 -0.020 0.000 2.905 159 H HA -0.158 4.398 4.556 -0.001 0.000 0.331 159 H C -0.467 174.842 175.328 -0.032 0.000 1.078 159 H CA 0.891 56.922 56.048 -0.028 0.000 1.084 159 H CB -1.015 28.726 29.762 -0.034 0.000 1.617 159 H HN 0.334 nan 8.280 nan 0.000 0.383 160 E N 0.140 120.361 120.200 0.035 0.000 2.393 160 E HA 0.521 4.871 4.350 -0.000 0.000 0.273 160 E C -0.490 176.113 176.600 0.005 0.000 0.918 160 E CA -1.214 55.195 56.400 0.015 0.000 0.773 160 E CB 2.815 32.519 29.700 0.006 0.000 1.275 160 E HN 0.075 nan 8.360 nan 0.000 0.451 161 V N 3.061 122.975 119.914 0.000 0.000 2.498 161 V HA 0.199 4.318 4.120 -0.000 0.000 0.279 161 V C 0.527 176.631 176.094 0.017 0.000 1.048 161 V CA 0.342 62.646 62.300 0.007 0.000 0.967 161 V CB 0.914 32.739 31.823 0.002 0.000 0.988 161 V HN 0.761 nan 8.190 nan 0.000 0.473 162 M N 2.743 122.356 119.600 0.021 0.000 3.150 162 M HA 0.586 5.065 4.480 -0.000 0.000 0.198 162 M C 0.551 176.872 176.300 0.036 0.000 1.867 162 M CA 0.573 55.888 55.300 0.024 0.000 1.442 162 M CB 0.680 33.289 32.600 0.014 0.000 1.090 162 M HN 0.698 nan 8.290 nan 0.000 0.600 163 A N 0.172 123.012 122.820 0.034 0.000 2.535 163 A HA 0.810 5.129 4.320 -0.000 0.000 0.296 163 A C -1.736 175.872 177.584 0.040 0.000 1.248 163 A CA -0.563 51.499 52.037 0.042 0.000 0.686 163 A CB 1.160 20.179 19.000 0.032 0.000 1.315 163 A HN 0.276 nan 8.150 nan 0.000 0.460 164 I N -0.042 120.551 120.570 0.038 0.000 2.436 164 I HA 0.549 4.719 4.170 -0.000 0.000 0.289 164 I C 0.067 176.183 176.117 -0.001 0.000 1.010 164 I CA -0.479 60.838 61.300 0.029 0.000 1.098 164 I CB 1.603 39.636 38.000 0.055 0.000 1.266 164 I HN 0.477 nan 8.210 nan 0.000 0.434 180 V N 3.054 122.989 119.914 0.034 0.000 3.114 180 V HA 0.503 4.623 4.120 -0.000 0.000 0.308 180 V C -0.743 175.351 176.094 -0.000 0.000 1.168 180 V CA -0.829 61.479 62.300 0.013 0.000 1.015 180 V CB 2.408 34.233 31.823 0.004 0.000 1.050 180 V HN 0.685 nan 8.190 nan 0.000 0.433 181 N N 2.942 121.639 118.700 -0.005 0.000 2.488 181 N HA 0.490 5.230 4.740 -0.000 0.000 0.274 181 N C 0.585 176.062 175.510 -0.055 0.000 1.111 181 N CA 0.620 53.654 53.050 -0.026 0.000 0.974 181 N CB 1.894 40.387 38.487 0.010 0.000 1.089 181 N HN 0.782 nan 8.380 nan 0.000 0.465 182 A N 2.747 125.501 122.820 -0.111 0.000 1.935 182 A HA 0.311 4.630 4.320 -0.000 0.000 0.214 182 A C 1.360 178.865 177.584 -0.131 0.000 1.178 182 A CA 1.075 53.041 52.037 -0.118 0.000 0.640 182 A CB -0.712 18.204 19.000 -0.139 0.000 0.825 182 A HN 1.155 nan 8.150 nan 0.000 0.447 183 G N -2.261 106.387 108.800 -0.253 0.000 2.184 183 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.206 183 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.206 183 G C 0.004 174.687 174.900 -0.362 0.000 0.995 183 G CA -0.011 44.956 45.100 -0.222 0.000 0.651 183 G HN 0.915 nan 8.290 nan 0.000 0.511 184 V N 1.165 120.788 119.914 -0.484 0.000 2.394 184 V HA 0.745 4.865 4.120 -0.000 0.000 0.282 184 V C -0.136 175.663 176.094 -0.493 0.000 1.031 184 V CA -0.744 61.368 62.300 -0.314 0.000 0.881 184 V CB 0.809 32.538 31.823 -0.156 0.000 0.982 184 V HN 0.259 nan 8.190 nan 0.000 0.451 185 Y N 1.921 122.216 120.300 -0.008 0.000 2.602 185 Y HA 0.810 5.359 4.550 -0.001 0.000 0.342 185 Y C 0.215 176.030 175.900 -0.141 0.000 1.029 185 Y CA -1.019 57.018 58.100 -0.105 0.000 1.080 185 Y CB 2.269 40.683 38.460 -0.077 0.000 1.284 185 Y HN 0.650 nan 8.280 nan 0.000 0.485 186 A N 2.232 124.972 122.820 -0.134 0.000 2.457 186 A HA 0.729 5.049 4.320 -0.000 0.000 0.283 186 A C -1.746 175.608 177.584 -0.382 0.000 1.166 186 A CA -0.442 51.444 52.037 -0.252 0.000 0.740 186 A CB -0.040 18.771 19.000 -0.315 0.000 1.181 186 A HN 0.602 nan 8.150 nan 0.000 0.446 187 F N 0.647 120.541 119.950 -0.093 0.000 2.470 187 F HA 0.461 4.988 4.527 -0.000 0.000 0.329 187 F C 0.400 176.237 175.800 0.060 0.000 1.072 187 F CA -0.255 57.767 58.000 0.037 0.000 0.989 187 F CB 1.822 40.839 39.000 0.028 0.000 1.193 187 F HN 0.608 nan 8.300 nan 0.000 0.481 188 D N 2.029 122.676 120.400 0.411 0.000 2.249 188 D HA 0.171 4.811 4.640 -0.000 0.000 0.246 188 D C 0.883 177.319 176.300 0.225 0.000 1.114 188 D CA 0.014 54.197 54.000 0.306 0.000 0.854 188 D CB 1.003 41.959 40.800 0.260 0.000 1.132 188 D HN 0.573 nan 8.370 nan 0.000 0.461 189 I N 3.500 124.178 120.570 0.180 0.000 2.454 189 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 189 I C 1.796 177.968 176.117 0.091 0.000 1.156 189 I CA 1.099 62.477 61.300 0.130 0.000 1.433 189 I CB 0.198 38.305 38.000 0.177 0.000 1.082 189 I HN 0.569 nan 8.210 nan 0.000 0.432 190 A N 0.110 122.987 122.820 0.095 0.000 2.014 190 A HA 0.012 4.331 4.320 -0.000 0.000 0.218 190 A C 2.311 179.932 177.584 0.062 0.000 1.163 190 A CA 1.435 53.512 52.037 0.067 0.000 0.652 190 A CB -0.565 18.471 19.000 0.061 0.000 0.808 190 A HN 0.512 nan 8.150 nan 0.000 0.449 191 A N -1.197 121.677 122.820 0.090 0.000 2.063 191 A HA 0.321 4.640 4.320 -0.000 0.000 0.211 191 A C 1.924 179.545 177.584 0.062 0.000 1.177 191 A CA 0.951 53.043 52.037 0.092 0.000 0.759 191 A CB -0.333 18.752 19.000 0.141 0.000 0.857 191 A HN 0.501 nan 8.150 nan 0.000 0.468 192 L N -0.285 120.960 121.223 0.036 0.000 2.072 192 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 192 L C 2.266 179.060 176.870 -0.127 0.000 1.079 192 L CA 1.536 56.296 54.840 -0.132 0.000 0.752 192 L CB -0.379 41.545 42.059 -0.226 0.000 0.906 192 L HN 0.193 nan 8.230 nan 0.000 0.436 193 R N -1.119 119.344 120.500 -0.061 0.000 2.115 193 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 193 R C 2.432 178.708 176.300 -0.039 0.000 1.111 193 R CA 1.242 57.310 56.100 -0.053 0.000 0.976 193 R CB -0.846 29.441 30.300 -0.021 0.000 0.870 193 R HN 0.436 nan 8.270 nan 0.000 0.445 194 S N 0.267 115.955 115.700 -0.019 0.000 2.414 194 S HA 0.029 4.498 4.470 -0.000 0.000 0.227 194 S C 1.859 176.451 174.600 -0.014 0.000 1.022 194 S CA 0.861 59.056 58.200 -0.008 0.000 0.958 194 S CB 0.113 63.318 63.200 0.009 0.000 0.797 194 S HN 0.393 nan 8.310 nan 0.000 0.493 195 A N 0.857 123.663 122.820 -0.024 0.000 1.975 195 A HA 0.298 4.618 4.320 -0.000 0.000 0.215 195 A C 1.970 179.526 177.584 -0.046 0.000 1.170 195 A CA 0.581 52.604 52.037 -0.024 0.000 0.656 195 A CB -0.464 18.527 19.000 -0.015 0.000 0.821 195 A HN 0.534 nan 8.150 nan 0.000 0.449 196 L N 0.656 121.832 121.223 -0.079 0.000 2.395 196 L HA -0.092 4.248 4.340 -0.000 0.000 0.218 196 L C 2.745 179.584 176.870 -0.052 0.000 1.130 196 L CA 1.090 55.880 54.840 -0.084 0.000 0.826 196 L CB -0.173 41.809 42.059 -0.128 0.000 0.941 196 L HN 0.578 nan 8.230 nan 0.000 0.451 197 S N -0.771 114.905 115.700 -0.040 0.000 2.406 197 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 197 S C 1.288 175.879 174.600 -0.015 0.000 1.020 197 S CA 0.137 58.322 58.200 -0.026 0.000 0.965 197 S CB -0.043 63.145 63.200 -0.020 0.000 0.798 197 S HN 0.324 nan 8.310 nan 0.000 0.488 209 Y N 1.446 121.752 120.300 0.010 0.000 2.567 209 Y HA 0.574 5.124 4.550 -0.000 0.000 0.333 209 Y C 0.721 176.614 175.900 -0.011 0.000 1.106 209 Y CA -0.587 57.520 58.100 0.011 0.000 1.157 209 Y CB 1.836 40.309 38.460 0.021 0.000 1.277 209 Y HN 0.619 nan 8.280 nan 0.000 0.490 210 L N 0.652 121.968 121.223 0.154 0.000 2.313 210 L HA -0.064 4.276 4.340 -0.000 0.000 0.214 210 L C 2.106 178.976 176.870 0.001 0.000 1.119 210 L CA 1.846 56.688 54.840 0.004 0.000 0.809 210 L CB -0.797 41.218 42.059 -0.073 0.000 0.933 210 L HN 0.926 nan 8.230 nan 0.000 0.449 211 T N -4.851 109.756 114.554 0.088 0.000 2.915 211 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 211 T C 1.524 176.272 174.700 0.080 0.000 1.071 211 T CA 1.175 63.326 62.100 0.086 0.000 1.132 211 T CB -0.450 68.464 68.868 0.077 0.000 0.878 211 T HN 0.294 nan 8.240 nan 0.000 0.479 212 D N 1.179 121.633 120.400 0.089 0.000 2.224 212 D HA 0.004 4.643 4.640 -0.000 0.000 0.205 212 D C 2.273 178.608 176.300 0.059 0.000 0.965 212 D CA 0.570 54.615 54.000 0.075 0.000 0.852 212 D CB -0.151 40.701 40.800 0.086 0.000 0.947 212 D HN 0.329 nan 8.370 nan 0.000 0.494 213 V N 1.308 121.250 119.914 0.047 0.000 2.332 213 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 213 V C 2.430 178.594 176.094 0.117 0.000 1.055 213 V CA 1.207 63.535 62.300 0.047 0.000 1.038 213 V CB -0.398 31.410 31.823 -0.025 0.000 0.651 213 V HN 0.104 nan 8.190 nan 0.000 0.450 214 I N 0.883 121.535 120.570 0.136 0.000 2.286 214 I HA -0.180 3.989 4.170 -0.000 0.000 0.248 214 I C 2.581 178.755 176.117 0.095 0.000 1.115 214 I CA 1.698 63.079 61.300 0.136 0.000 1.392 214 I CB -0.776 37.303 38.000 0.132 0.000 1.065 214 I HN 0.205 nan 8.210 nan 0.000 0.418 215 A N 0.261 123.127 122.820 0.077 0.000 1.930 215 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 215 A C 2.241 179.856 177.584 0.052 0.000 1.175 215 A CA 1.571 53.643 52.037 0.058 0.000 0.627 215 A CB -0.760 18.270 19.000 0.050 0.000 0.815 215 A HN 0.327 nan 8.150 nan 0.000 0.443 216 I N -0.409 120.193 120.570 0.054 0.000 2.353 216 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 216 I C 2.274 178.422 176.117 0.052 0.000 1.119 216 I CA 0.879 62.206 61.300 0.045 0.000 1.417 216 I CB -0.226 37.796 38.000 0.037 0.000 1.078 216 I HN 0.251 nan 8.210 nan 0.000 0.421 217 L N -0.401 120.865 121.223 0.072 0.000 2.141 217 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 217 L C 2.649 179.558 176.870 0.065 0.000 1.094 217 L CA 0.949 55.837 54.840 0.080 0.000 0.763 217 L CB -0.528 41.604 42.059 0.121 0.000 0.908 217 L HN 0.173 nan 8.230 nan 0.000 0.437 218 R N -0.223 120.313 120.500 0.060 0.000 2.092 218 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 218 R C 2.265 178.587 176.300 0.037 0.000 1.119 218 R CA 1.444 57.572 56.100 0.047 0.000 0.970 218 R CB -0.209 30.117 30.300 0.044 0.000 0.864 218 R HN 0.274 nan 8.270 nan 0.000 0.440 219 S N 1.074 116.796 115.700 0.036 0.000 2.428 219 S HA -0.080 4.389 4.470 -0.000 0.000 0.230 219 S C 1.074 175.690 174.600 0.027 0.000 1.014 219 S CA 1.126 59.343 58.200 0.029 0.000 0.957 219 S CB -0.063 63.153 63.200 0.027 0.000 0.784 219 S HN 0.316 nan 8.310 nan 0.000 0.499 220 D N 0.603 121.022 120.400 0.032 0.000 2.269 220 D HA 0.139 4.779 4.640 -0.000 0.000 0.208 220 D C 1.570 177.888 176.300 0.029 0.000 0.963 220 D CA 1.040 55.059 54.000 0.030 0.000 0.864 220 D CB -0.286 40.535 40.800 0.036 0.000 0.936 220 D HN 0.486 nan 8.370 nan 0.000 0.505 221 G N -0.081 108.738 108.800 0.031 0.000 2.144 221 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 221 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 221 G C 0.189 175.108 174.900 0.031 0.000 0.988 221 G CA -0.373 44.744 45.100 0.028 0.000 0.659 221 G HN 0.158 nan 8.290 nan 0.000 0.522 222 Q N 0.842 120.666 119.800 0.040 0.000 2.394 222 Q HA 0.358 4.697 4.340 -0.000 0.000 0.248 222 Q C 0.461 176.488 176.000 0.045 0.000 0.992 222 Q CA 0.439 56.269 55.803 0.045 0.000 0.888 222 Q CB 0.584 29.359 28.738 0.061 0.000 1.257 222 Q HN 0.301 nan 8.270 nan 0.000 0.462 223 T N 1.114 115.692 114.554 0.040 0.000 2.799 223 T HA 0.193 4.542 4.350 -0.000 0.000 0.296 223 T C -0.104 174.632 174.700 0.060 0.000 0.947 223 T CA -0.282 61.845 62.100 0.044 0.000 1.141 223 T CB 0.413 69.299 68.868 0.031 0.000 0.891 223 T HN 0.331 nan 8.240 nan 0.000 0.533 224 V N 5.600 125.554 119.914 0.066 0.000 2.384 224 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 224 V C -0.675 175.473 176.094 0.090 0.000 1.020 224 V CA -0.649 61.695 62.300 0.074 0.000 0.850 224 V CB 1.119 32.977 31.823 0.058 0.000 0.987 224 V HN 0.907 nan 8.190 nan 0.000 0.436 225 H N 4.979 124.056 119.070 0.012 0.000 2.622 225 H HA 0.784 5.340 4.556 -0.000 0.000 0.363 225 H C -0.654 174.684 175.328 0.017 0.000 1.151 225 H CA -0.097 55.958 56.048 0.012 0.000 1.184 225 H CB 2.241 32.004 29.762 0.002 0.000 1.643 225 H HN 0.808 nan 8.280 nan 0.000 0.531 226 A N 3.353 126.069 122.820 -0.174 0.000 2.311 226 A HA 0.334 4.654 4.320 -0.000 0.000 0.306 226 A C -0.563 177.053 177.584 0.053 0.000 1.189 226 A CA -0.573 51.450 52.037 -0.023 0.000 0.791 226 A CB 1.010 19.979 19.000 -0.052 0.000 1.172 226 A HN 0.504 nan 8.150 nan 0.000 0.481 227 S N 1.637 117.419 115.700 0.137 0.000 2.438 227 S HA 0.415 4.884 4.470 -0.000 0.000 0.293 227 S C -0.387 174.269 174.600 0.092 0.000 1.141 227 S CA -0.297 57.988 58.200 0.141 0.000 1.080 227 S CB 0.016 63.284 63.200 0.114 0.000 0.978 227 S HN 0.788 nan 8.310 nan 0.000 0.479 228 H N 3.368 122.445 119.070 0.012 0.000 2.527 228 H HA 0.534 5.090 4.556 -0.000 0.000 0.321 228 H C -0.763 174.561 175.328 -0.007 0.000 1.087 228 H CA -0.240 55.803 56.048 -0.007 0.000 1.337 228 H CB 0.851 30.605 29.762 -0.013 0.000 1.440 228 H HN 0.382 nan 8.280 nan 0.000 0.490 229 V N 5.991 125.612 119.914 -0.489 0.000 2.370 229 V HA 0.069 4.188 4.120 -0.000 0.000 0.283 229 V C 0.539 176.396 176.094 -0.395 0.000 1.023 229 V CA -0.649 61.465 62.300 -0.310 0.000 0.857 229 V CB 1.565 33.263 31.823 -0.207 0.000 0.985 229 V HN 0.918 nan 8.190 nan 0.000 0.443 230 D N 1.750 122.069 120.400 -0.135 0.000 2.144 230 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 230 D C 0.681 176.950 176.300 -0.051 0.000 0.978 230 D CA 1.237 55.219 54.000 -0.030 0.000 0.833 230 D CB 0.269 41.090 40.800 0.036 0.000 0.961 230 D HN 0.626 nan 8.370 nan 0.000 0.470 231 D N -0.028 120.334 120.400 -0.064 0.000 2.365 231 D HA 0.125 4.765 4.640 -0.000 0.000 0.237 231 D C 0.613 176.870 176.300 -0.072 0.000 1.190 231 D CA -0.032 53.937 54.000 -0.053 0.000 0.867 231 D CB 0.967 41.742 40.800 -0.042 0.000 1.050 231 D HN -0.275 nan 8.370 nan 0.000 0.491 232 S N 2.233 117.897 115.700 -0.061 0.000 2.461 232 S HA -0.040 4.429 4.470 -0.000 0.000 0.228 232 S C 1.875 176.445 174.600 -0.051 0.000 1.005 232 S CA 0.626 58.787 58.200 -0.064 0.000 0.942 232 S CB 0.196 63.370 63.200 -0.043 0.000 0.776 232 S HN 0.632 nan 8.310 nan 0.000 0.514 233 A N 1.398 124.192 122.820 -0.042 0.000 2.014 233 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 233 A C 1.955 179.515 177.584 -0.040 0.000 1.163 233 A CA 0.715 52.731 52.037 -0.036 0.000 0.652 233 A CB -0.521 18.460 19.000 -0.031 0.000 0.808 233 A HN 0.454 nan 8.150 nan 0.000 0.449 234 L N -0.204 120.992 121.223 -0.044 0.000 2.046 234 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 234 L C 1.919 178.764 176.870 -0.042 0.000 1.077 234 L CA 1.468 56.284 54.840 -0.041 0.000 0.747 234 L CB -0.402 41.631 42.059 -0.042 0.000 0.896 234 L HN 0.396 nan 8.230 nan 0.000 0.432 235 V N -3.161 116.721 119.914 -0.053 0.000 3.249 235 V HA 0.462 4.582 4.120 -0.000 0.000 0.338 235 V C 0.749 176.816 176.094 -0.045 0.000 1.363 235 V CA -0.499 61.768 62.300 -0.055 0.000 1.205 235 V CB -0.851 30.925 31.823 -0.077 0.000 1.164 235 V HN 0.163 nan 8.190 nan 0.000 0.458 236 A N 0.820 123.618 122.820 -0.038 0.000 2.366 236 A HA 0.741 5.060 4.320 -0.000 0.000 0.272 236 A C 0.733 178.303 177.584 -0.022 0.000 1.135 236 A CA 0.436 52.455 52.037 -0.029 0.000 0.804 236 A CB 0.257 19.240 19.000 -0.027 0.000 1.064 236 A HN 0.793 nan 8.150 nan 0.000 0.499 237 G N 0.202 108.993 108.800 -0.015 0.000 2.437 237 G HA2 0.521 4.481 3.960 -0.000 0.000 0.319 237 G HA3 0.521 4.481 3.960 -0.000 0.000 0.319 237 G C -0.818 174.078 174.900 -0.007 0.000 1.158 237 G CA -0.390 44.706 45.100 -0.006 0.000 0.899 237 G HN 0.785 nan 8.290 nan 0.000 0.502 238 V N 1.712 121.623 119.914 -0.005 0.000 2.357 238 V HA 0.253 4.373 4.120 -0.000 0.000 0.284 238 V C -0.008 176.079 176.094 -0.012 0.000 1.018 238 V CA -0.639 61.653 62.300 -0.013 0.000 0.841 238 V CB 1.435 33.246 31.823 -0.020 0.000 0.991 238 V HN 0.758 nan 8.190 nan 0.000 0.437 239 N N 2.722 121.413 118.700 -0.015 0.000 2.564 239 N HA 0.090 4.829 4.740 -0.000 0.000 0.202 239 N C 0.330 175.822 175.510 -0.030 0.000 1.052 239 N CA 0.239 53.281 53.050 -0.012 0.000 0.872 239 N CB 0.239 38.726 38.487 -0.001 0.000 1.303 239 N HN 0.833 nan 8.380 nan 0.000 0.440 240 N N -0.887 117.791 118.700 -0.036 0.000 2.531 240 N HA 0.327 5.066 4.740 -0.000 0.000 0.290 240 N C 0.058 175.528 175.510 -0.067 0.000 1.257 240 N CA -0.652 52.369 53.050 -0.048 0.000 0.863 240 N CB 1.097 39.567 38.487 -0.027 0.000 1.320 240 N HN -0.198 nan 8.380 nan 0.000 0.538 241 R N -0.518 119.939 120.500 -0.072 0.000 2.280 241 R HA 0.065 4.405 4.340 -0.000 0.000 0.207 241 R C 1.033 177.313 176.300 -0.032 0.000 1.043 241 R CA 0.462 56.519 56.100 -0.071 0.000 1.006 241 R CB -0.486 29.776 30.300 -0.063 0.000 0.885 241 R HN 0.366 nan 8.270 nan 0.000 0.467 242 V N 1.042 120.944 119.914 -0.021 0.000 2.323 242 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 242 V C 2.171 178.264 176.094 -0.002 0.000 1.041 242 V CA 1.623 63.920 62.300 -0.005 0.000 1.025 242 V CB -0.463 31.358 31.823 -0.002 0.000 0.656 242 V HN 0.298 nan 8.190 nan 0.000 0.451 243 Q N -0.626 119.168 119.800 -0.010 0.000 2.224 243 Q HA -0.160 4.180 4.340 -0.000 0.000 0.203 243 Q C 2.215 178.210 176.000 -0.009 0.000 0.970 243 Q CA 1.264 57.062 55.803 -0.009 0.000 0.865 243 Q CB -0.213 28.518 28.738 -0.013 0.000 0.922 243 Q HN 0.515 nan 8.270 nan 0.000 0.445 244 L N 0.278 121.490 121.223 -0.018 0.000 2.056 244 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 244 L C 2.087 178.965 176.870 0.014 0.000 1.078 244 L CA 1.849 56.681 54.840 -0.015 0.000 0.749 244 L CB -0.448 41.587 42.059 -0.040 0.000 0.901 244 L HN 0.098 nan 8.230 nan 0.000 0.433 245 A N -1.469 121.364 122.820 0.022 0.000 2.016 245 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 245 A C 2.133 179.764 177.584 0.078 0.000 1.162 245 A CA 0.983 53.054 52.037 0.058 0.000 0.662 245 A CB -0.417 18.611 19.000 0.048 0.000 0.812 245 A HN 0.464 nan 8.150 nan 0.000 0.450 246 E N -0.039 120.187 120.200 0.044 0.000 2.106 246 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 246 E C 1.764 178.382 176.600 0.031 0.000 0.984 246 E CA 0.919 57.340 56.400 0.035 0.000 0.806 246 E CB -0.149 29.560 29.700 0.016 0.000 0.750 246 E HN 0.658 nan 8.360 nan 0.000 0.458 247 L N -0.252 120.986 121.223 0.024 0.000 2.416 247 L HA 0.096 4.436 4.340 -0.000 0.000 0.216 247 L C 2.343 179.233 176.870 0.033 0.000 1.098 247 L CA 0.368 55.213 54.840 0.009 0.000 0.840 247 L CB -0.127 41.921 42.059 -0.018 0.000 0.981 247 L HN 0.002 nan 8.230 nan 0.000 0.462 248 A N -0.783 122.087 122.820 0.084 0.000 1.929 248 A HA -0.181 4.138 4.320 -0.000 0.000 0.216 248 A C 2.492 180.252 177.584 0.294 0.000 1.176 248 A CA 1.898 54.043 52.037 0.181 0.000 0.628 248 A CB -0.446 18.664 19.000 0.183 0.000 0.816 248 A HN 0.291 nan 8.150 nan 0.000 0.444 249 S N -0.948 114.890 115.700 0.230 0.000 2.436 249 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 249 S C 1.952 176.532 174.600 -0.033 0.000 1.014 249 S CA 1.488 59.737 58.200 0.081 0.000 0.950 249 S CB -0.195 63.062 63.200 0.096 0.000 0.784 249 S HN 0.600 nan 8.310 nan 0.000 0.504 250 E N 1.039 121.241 120.200 0.004 0.000 2.046 250 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 250 E C 1.889 178.472 176.600 -0.029 0.000 0.982 250 E CA 0.980 57.367 56.400 -0.023 0.000 0.800 250 E CB -0.594 29.097 29.700 -0.015 0.000 0.756 250 E HN 0.426 nan 8.360 nan 0.000 0.449 251 L N 1.040 122.258 121.223 -0.008 0.000 2.083 251 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 251 L C 1.955 178.825 176.870 0.001 0.000 1.083 251 L CA 2.003 56.840 54.840 -0.005 0.000 0.752 251 L CB -0.763 41.291 42.059 -0.008 0.000 0.899 251 L HN 0.192 nan 8.230 nan 0.000 0.433 252 N N -0.356 118.343 118.700 -0.002 0.000 2.188 252 N HA -0.220 4.520 4.740 -0.000 0.000 0.184 252 N C 2.098 177.532 175.510 -0.127 0.000 1.018 252 N CA 1.235 54.248 53.050 -0.062 0.000 0.858 252 N CB -0.165 38.193 38.487 -0.217 0.000 0.989 252 N HN 0.287 nan 8.380 nan 0.000 0.426 253 R N -0.231 120.185 120.500 -0.139 0.000 2.096 253 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 253 R C 1.714 177.967 176.300 -0.079 0.000 1.127 253 R CA 1.194 57.219 56.100 -0.124 0.000 0.968 253 R CB 0.030 30.265 30.300 -0.107 0.000 0.861 253 R HN 0.117 nan 8.270 nan 0.000 0.440 254 R N -0.609 119.856 120.500 -0.059 0.000 2.090 254 R HA -0.023 4.316 4.340 -0.000 0.000 0.228 254 R C 2.129 178.395 176.300 -0.056 0.000 1.110 254 R CA 1.010 57.079 56.100 -0.051 0.000 0.973 254 R CB -0.285 29.990 30.300 -0.041 0.000 0.869 254 R HN 0.060 nan 8.270 nan 0.000 0.440 255 V N -0.301 119.589 119.914 -0.040 0.000 2.323 255 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 255 V C 2.154 178.259 176.094 0.018 0.000 1.041 255 V CA 1.530 63.810 62.300 -0.033 0.000 1.025 255 V CB -0.411 31.438 31.823 0.043 0.000 0.656 255 V HN 0.071 nan 8.190 nan 0.000 0.451 256 V N 0.636 120.573 119.914 0.037 0.000 2.332 256 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 256 V C 2.722 178.832 176.094 0.028 0.000 1.055 256 V CA 2.133 64.467 62.300 0.057 0.000 1.038 256 V CB -1.199 30.596 31.823 -0.047 0.000 0.651 256 V HN 0.557 nan 8.190 nan 0.000 0.450 257 A N -0.214 122.592 122.820 -0.025 0.000 1.969 257 A HA -0.007 4.312 4.320 -0.000 0.000 0.218 257 A C 2.382 179.939 177.584 -0.044 0.000 1.169 257 A CA 1.778 53.795 52.037 -0.034 0.000 0.635 257 A CB -0.594 18.379 19.000 -0.045 0.000 0.810 257 A HN 0.564 nan 8.150 nan 0.000 0.445 258 A N -1.154 121.613 122.820 -0.089 0.000 1.930 258 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 258 A C 2.016 179.500 177.584 -0.167 0.000 1.175 258 A CA 1.411 53.357 52.037 -0.151 0.000 0.627 258 A CB -0.793 18.070 19.000 -0.228 0.000 0.815 258 A HN 0.641 nan 8.150 nan 0.000 0.443 259 H N -0.370 118.684 119.070 -0.027 0.000 2.395 259 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 259 H C 2.120 177.430 175.328 -0.029 0.000 1.070 259 H CA 1.639 57.672 56.048 -0.026 0.000 1.356 259 H CB -0.192 29.554 29.762 -0.027 0.000 1.401 259 H HN 0.666 nan 8.280 nan 0.000 0.524 260 Q N 0.266 120.112 119.800 0.077 0.000 2.124 260 Q HA -0.077 4.262 4.340 -0.000 0.000 0.202 260 Q C 2.444 178.448 176.000 0.006 0.000 0.977 260 Q CA 0.845 56.663 55.803 0.025 0.000 0.850 260 Q CB 0.069 28.808 28.738 0.002 0.000 0.901 260 Q HN 0.374 nan 8.270 nan 0.000 0.429 261 L N -0.311 120.908 121.223 -0.006 0.000 2.217 261 L HA -0.074 4.265 4.340 -0.000 0.000 0.211 261 L C 2.326 179.191 176.870 -0.009 0.000 1.107 261 L CA 0.663 55.494 54.840 -0.014 0.000 0.783 261 L CB -0.328 41.715 42.059 -0.027 0.000 0.919 261 L HN 0.178 nan 8.230 nan 0.000 0.442 262 A N -0.336 122.483 122.820 -0.001 0.000 1.930 262 A HA 0.246 4.565 4.320 -0.000 0.000 0.215 262 A C 1.469 179.064 177.584 0.019 0.000 1.176 262 A CA 1.210 53.252 52.037 0.009 0.000 0.632 262 A CB -0.205 18.808 19.000 0.021 0.000 0.819 262 A HN 0.447 nan 8.150 nan 0.000 0.445 263 G N -1.613 107.202 108.800 0.025 0.000 2.465 263 G HA2 0.261 4.220 3.960 -0.000 0.000 0.230 263 G HA3 0.261 4.220 3.960 -0.000 0.000 0.230 263 G C -0.727 174.182 174.900 0.015 0.000 1.324 263 G CA -0.158 44.951 45.100 0.015 0.000 0.878 263 G HN 0.785 nan 8.290 nan 0.000 0.497 264 V N 0.918 120.844 119.914 0.019 0.000 2.482 264 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 264 V C 0.398 176.481 176.094 -0.019 0.000 1.026 264 V CA -0.571 61.730 62.300 0.000 0.000 0.856 264 V CB 1.880 33.710 31.823 0.012 0.000 1.001 264 V HN 0.375 nan 8.190 nan 0.000 0.424 265 T N 4.617 119.146 114.554 -0.041 0.000 2.987 265 T HA 0.283 4.633 4.350 -0.000 0.000 0.288 265 T C 0.040 174.687 174.700 -0.088 0.000 0.981 265 T CA -0.077 61.987 62.100 -0.060 0.000 1.031 265 T CB 0.237 69.064 68.868 -0.068 0.000 0.976 265 T HN 0.354 nan 8.240 nan 0.000 0.612 266 V N 4.896 124.767 119.914 -0.073 0.000 2.406 266 V HA 0.107 4.227 4.120 -0.000 0.000 0.272 266 V C 1.479 177.518 176.094 -0.092 0.000 1.043 266 V CA -0.317 61.932 62.300 -0.085 0.000 0.915 266 V CB 1.226 33.012 31.823 -0.061 0.000 0.988 266 V HN 0.683 nan 8.190 nan 0.000 0.466 267 V N 2.642 122.484 119.914 -0.120 0.000 2.283 267 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 267 V C 0.776 176.833 176.094 -0.062 0.000 1.039 267 V CA 1.615 63.854 62.300 -0.102 0.000 1.016 267 V CB -0.151 31.594 31.823 -0.130 0.000 0.650 267 V HN 0.956 nan 8.190 nan 0.000 0.449 268 D N -0.997 119.370 120.400 -0.055 0.000 2.440 268 D HA 0.319 4.959 4.640 -0.000 0.000 0.252 268 D C -2.154 174.101 176.300 -0.075 0.000 1.180 268 D CA -2.140 51.830 54.000 -0.049 0.000 0.894 268 D CB 2.085 42.870 40.800 -0.024 0.000 1.111 268 D HN 0.033 nan 8.370 nan 0.000 0.544 269 P HA 0.016 nan 4.420 nan 0.000 0.223 269 P C 0.940 178.116 177.300 -0.206 0.000 1.151 269 P CA 0.563 63.585 63.100 -0.131 0.000 0.787 269 P CB 0.365 32.001 31.700 -0.108 0.000 0.788 270 A N -0.258 122.464 122.820 -0.164 0.000 1.968 270 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 270 A C 2.079 179.531 177.584 -0.220 0.000 1.169 270 A CA 2.192 54.116 52.037 -0.189 0.000 0.638 270 A CB -1.613 17.333 19.000 -0.090 0.000 0.812 270 A HN 0.334 nan 8.150 nan 0.000 0.446 271 T N -4.061 110.416 114.554 -0.128 0.000 3.037 271 T HA 0.114 4.464 4.350 -0.000 0.000 0.251 271 T C 0.650 175.336 174.700 -0.023 0.000 1.079 271 T CA 0.667 62.762 62.100 -0.009 0.000 1.067 271 T CB -0.347 68.558 68.868 0.061 0.000 0.948 271 T HN 0.160 nan 8.240 nan 0.000 0.496 272 T N 2.893 117.361 114.554 -0.143 0.000 2.737 272 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 272 T C -1.149 173.420 174.700 -0.219 0.000 0.922 272 T CA -0.398 61.650 62.100 -0.088 0.000 1.079 272 T CB -0.016 68.806 68.868 -0.077 0.000 0.892 272 T HN 0.407 nan 8.240 nan 0.000 0.514 273 W N 3.916 125.219 121.300 0.005 0.000 2.361 273 W HA 0.610 5.270 4.660 -0.000 0.000 0.314 273 W C -0.414 176.110 176.519 0.007 0.000 1.041 273 W CA -0.827 56.525 57.345 0.011 0.000 1.241 273 W CB 0.654 30.122 29.460 0.012 0.000 1.279 273 W HN 0.449 nan 8.180 nan 0.000 0.436 274 I N 4.299 124.988 120.570 0.197 0.000 2.418 274 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 274 I C -0.211 176.007 176.117 0.169 0.000 1.008 274 I CA -0.855 60.529 61.300 0.141 0.000 1.104 274 I CB 1.128 39.187 38.000 0.098 0.000 1.264 274 I HN 0.220 nan 8.210 nan 0.000 0.438 275 D N 4.261 124.745 120.400 0.140 0.000 2.411 275 D HA 0.287 4.926 4.640 -0.000 0.000 0.251 275 D C 0.025 176.387 176.300 0.103 0.000 1.201 275 D CA -0.264 53.810 54.000 0.124 0.000 0.996 275 D CB 0.988 41.839 40.800 0.085 0.000 1.101 275 D HN 0.260 nan 8.370 nan 0.000 0.504 276 V N -1.597 118.362 119.914 0.075 0.000 3.051 276 V HA 0.187 4.307 4.120 -0.000 0.000 0.306 276 V C 0.509 176.611 176.094 0.013 0.000 1.083 276 V CA -0.512 61.810 62.300 0.037 0.000 1.104 276 V CB 0.643 32.458 31.823 -0.014 0.000 1.027 276 V HN 0.615 nan 8.190 nan 0.000 0.483 277 D N -0.628 119.778 120.400 0.010 0.000 2.705 277 D HA -0.166 4.474 4.640 -0.000 0.000 0.187 277 D C 0.271 176.590 176.300 0.031 0.000 1.015 277 D CA 1.320 55.325 54.000 0.008 0.000 1.030 277 D CB -1.222 39.566 40.800 -0.019 0.000 1.100 277 D HN 0.613 nan 8.370 nan 0.000 0.439 278 V N 2.347 122.294 119.914 0.055 0.000 2.439 278 V HA 0.281 4.401 4.120 -0.000 0.000 0.271 278 V C 1.029 177.174 176.094 0.085 0.000 1.040 278 V CA 0.638 62.966 62.300 0.048 0.000 1.002 278 V CB 1.084 32.928 31.823 0.036 0.000 1.000 278 V HN 0.279 nan 8.190 nan 0.000 0.477 279 T N 4.112 118.691 114.554 0.043 0.000 2.794 279 T HA 0.801 5.151 4.350 -0.000 0.000 0.280 279 T C -0.662 174.025 174.700 -0.022 0.000 0.987 279 T CA -0.585 61.555 62.100 0.066 0.000 0.993 279 T CB 1.300 70.198 68.868 0.051 0.000 0.939 279 T HN 0.325 nan 8.240 nan 0.000 0.449 280 I N 2.116 122.655 120.570 -0.050 0.000 2.474 280 I HA 0.593 4.763 4.170 -0.000 0.000 0.294 280 I C 1.144 177.250 176.117 -0.017 0.000 1.005 280 I CA -1.160 60.077 61.300 -0.104 0.000 1.113 280 I CB 1.926 39.761 38.000 -0.275 0.000 1.289 280 I HN 0.884 nan 8.210 nan 0.000 0.436 281 G N 3.887 112.674 108.800 -0.022 0.000 2.570 281 G HA2 0.265 4.225 3.960 -0.000 0.000 0.276 281 G HA3 0.265 4.225 3.960 -0.000 0.000 0.276 281 G C -0.305 174.596 174.900 0.001 0.000 1.346 281 G CA -0.540 44.557 45.100 -0.005 0.000 1.034 281 G HN 0.645 nan 8.290 nan 0.000 0.512 282 R N -0.479 120.022 120.500 0.002 0.000 2.441 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.284 282 R C -0.287 176.011 176.300 -0.004 0.000 1.070 282 R CA 0.035 56.137 56.100 0.003 0.000 1.047 282 R CB 0.292 30.594 30.300 0.003 0.000 1.016 282 R HN 0.565 nan 8.270 nan 0.000 0.477 283 D N 1.677 122.074 120.400 -0.005 0.000 2.699 283 D HA -0.138 4.502 4.640 -0.000 0.000 0.239 283 D C -1.107 175.184 176.300 -0.015 0.000 1.136 283 D CA 1.616 55.610 54.000 -0.010 0.000 0.668 283 D CB -0.593 40.203 40.800 -0.007 0.000 1.060 283 D HN 0.664 nan 8.370 nan 0.000 0.429 284 T N -2.898 111.643 114.554 -0.022 0.000 2.859 284 T HA 0.688 5.037 4.350 -0.000 0.000 0.281 284 T C 0.194 174.867 174.700 -0.045 0.000 1.005 284 T CA -0.898 61.185 62.100 -0.029 0.000 1.025 284 T CB 2.252 71.100 68.868 -0.035 0.000 0.977 284 T HN -0.029 nan 8.240 nan 0.000 0.458 285 V N 3.798 123.684 119.914 -0.047 0.000 2.347 285 V HA 0.457 4.577 4.120 -0.000 0.000 0.280 285 V C -0.160 175.872 176.094 -0.103 0.000 1.021 285 V CA -0.796 61.443 62.300 -0.101 0.000 0.847 285 V CB 0.820 32.580 31.823 -0.106 0.000 0.990 285 V HN 0.856 nan 8.190 nan 0.000 0.444 286 I N 4.685 125.166 120.570 -0.148 0.000 2.355 286 I HA 0.440 4.610 4.170 -0.000 0.000 0.288 286 I C -0.165 175.861 176.117 -0.152 0.000 0.999 286 I CA -0.510 60.738 61.300 -0.087 0.000 1.163 286 I CB 1.279 39.242 38.000 -0.062 0.000 1.316 286 I HN 0.629 nan 8.210 nan 0.000 0.454 287 H N 6.150 125.207 119.070 -0.022 0.000 2.505 287 H HA 0.323 4.879 4.556 -0.000 0.000 0.355 287 H C -2.293 173.028 175.328 -0.011 0.000 1.179 287 H CA -1.424 54.614 56.048 -0.017 0.000 1.343 287 H CB 0.385 30.135 29.762 -0.019 0.000 1.501 287 H HN 0.307 nan 8.280 nan 0.000 0.569 288 P HA 0.046 nan 4.420 nan 0.000 0.266 288 P C 0.550 177.895 177.300 0.075 0.000 1.195 288 P CA 1.086 64.225 63.100 0.065 0.000 0.768 288 P CB 0.549 32.282 31.700 0.055 0.000 0.838 289 G N 0.843 109.692 108.800 0.081 0.000 2.132 289 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.234 289 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.234 289 G C 0.035 175.000 174.900 0.109 0.000 0.989 289 G CA -0.166 44.995 45.100 0.102 0.000 0.676 289 G HN 0.596 nan 8.290 nan 0.000 0.522 290 T N 0.717 115.335 114.554 0.106 0.000 2.799 290 T HA 0.592 4.941 4.350 -0.000 0.000 0.286 290 T C -0.091 174.693 174.700 0.141 0.000 0.973 290 T CA -0.032 62.123 62.100 0.093 0.000 1.035 290 T CB 1.628 70.531 68.868 0.058 0.000 0.932 290 T HN 0.263 nan 8.240 nan 0.000 0.469 291 Q N 2.568 122.438 119.800 0.117 0.000 2.381 291 Q HA 0.463 4.802 4.340 -0.000 0.000 0.263 291 Q C -0.885 175.155 176.000 0.066 0.000 1.030 291 Q CA -0.162 55.723 55.803 0.137 0.000 0.772 291 Q CB 1.192 29.983 28.738 0.088 0.000 1.232 291 Q HN 0.572 nan 8.270 nan 0.000 0.476 292 L N 4.434 125.701 121.223 0.074 0.000 2.270 292 L HA 0.475 4.815 4.340 -0.000 0.000 0.286 292 L C -0.710 176.184 176.870 0.040 0.000 1.059 292 L CA -0.232 54.624 54.840 0.027 0.000 0.839 292 L CB 0.119 42.176 42.059 -0.004 0.000 1.221 292 L HN 0.393 nan 8.230 nan 0.000 0.431 293 L N 2.128 123.359 121.223 0.014 0.000 2.313 293 L HA 0.834 5.174 4.340 -0.000 0.000 0.268 293 L C 1.102 177.972 176.870 -0.000 0.000 1.010 293 L CA -0.449 54.399 54.840 0.014 0.000 0.814 293 L CB 1.612 43.667 42.059 -0.005 0.000 1.304 293 L HN 0.717 nan 8.230 nan 0.000 0.441 294 G N 1.003 109.804 108.800 0.003 0.000 2.543 294 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.286 294 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.286 294 G C 0.307 175.202 174.900 -0.007 0.000 1.153 294 G CA 0.346 45.441 45.100 -0.007 0.000 0.968 294 G HN 0.669 nan 8.290 nan 0.000 0.544 295 R N 1.392 121.884 120.500 -0.012 0.000 2.983 295 R HA 0.456 4.796 4.340 -0.000 0.000 0.300 295 R C -0.319 175.973 176.300 -0.014 0.000 1.367 295 R CA 0.203 56.296 56.100 -0.011 0.000 1.564 295 R CB -0.141 30.151 30.300 -0.013 0.000 1.314 295 R HN 0.500 nan 8.270 nan 0.000 0.622 296 T N 1.720 116.265 114.554 -0.014 0.000 2.851 296 T HA 0.149 4.498 4.350 -0.000 0.000 0.298 296 T C -0.073 174.612 174.700 -0.024 0.000 0.977 296 T CA 0.144 62.230 62.100 -0.024 0.000 1.126 296 T CB 1.387 70.239 68.868 -0.027 0.000 0.916 296 T HN 0.341 nan 8.240 nan 0.000 0.529 297 Q N 2.446 122.230 119.800 -0.028 0.000 2.331 297 Q HA 0.511 4.851 4.340 -0.000 0.000 0.267 297 Q C -0.829 175.150 176.000 -0.034 0.000 1.006 297 Q CA -0.831 54.957 55.803 -0.026 0.000 0.818 297 Q CB 1.747 30.473 28.738 -0.020 0.000 1.276 297 Q HN 0.461 nan 8.270 nan 0.000 0.450 298 I N 1.822 122.369 120.570 -0.039 0.000 2.433 298 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 298 I C 0.754 176.852 176.117 -0.031 0.000 1.001 298 I CA -0.360 60.915 61.300 -0.041 0.000 1.119 298 I CB 1.188 39.152 38.000 -0.060 0.000 1.289 298 I HN 0.682 nan 8.210 nan 0.000 0.438 299 G N 3.780 112.564 108.800 -0.026 0.000 2.553 299 G HA2 0.490 4.450 3.960 -0.000 0.000 0.278 299 G HA3 0.490 4.450 3.960 -0.000 0.000 0.278 299 G C 0.169 175.059 174.900 -0.018 0.000 1.349 299 G CA -0.412 44.676 45.100 -0.020 0.000 1.037 299 G HN 0.750 nan 8.290 nan 0.000 0.508 300 G N -2.003 106.789 108.800 -0.013 0.000 2.420 300 G HA2 0.457 4.417 3.960 -0.000 0.000 0.284 300 G HA3 0.457 4.417 3.960 -0.000 0.000 0.284 300 G C 0.375 175.269 174.900 -0.010 0.000 1.177 300 G CA -0.538 44.556 45.100 -0.010 0.000 0.841 300 G HN 0.735 nan 8.290 nan 0.000 0.527 301 R N -1.084 119.410 120.500 -0.009 0.000 3.333 301 R HA -0.187 4.153 4.340 -0.000 0.000 0.256 301 R C -0.375 175.921 176.300 -0.006 0.000 1.010 301 R CA 0.334 56.429 56.100 -0.007 0.000 0.680 301 R CB -2.387 27.910 30.300 -0.004 0.000 1.102 301 R HN 0.459 nan 8.270 nan 0.000 0.440 302 C N 0.064 119.359 119.300 -0.009 0.000 2.358 302 C HA 0.518 4.978 4.460 -0.000 0.000 0.342 302 C C 0.982 175.974 174.990 0.005 0.000 1.234 302 C CA -0.715 58.299 59.018 -0.007 0.000 1.969 302 C CB 1.571 29.302 27.740 -0.016 0.000 2.346 302 C HN 0.249 nan 8.230 nan 0.000 0.525 303 V N 4.176 124.102 119.914 0.019 0.000 2.277 303 V HA 0.205 4.325 4.120 -0.000 0.000 0.269 303 V C -0.027 176.105 176.094 0.064 0.000 1.036 303 V CA -0.220 62.115 62.300 0.058 0.000 0.821 303 V CB 0.628 32.491 31.823 0.066 0.000 1.052 303 V HN 0.711 nan 8.190 nan 0.000 0.462 304 V N 4.723 124.685 119.914 0.081 0.000 2.389 304 V HA 0.497 4.617 4.120 -0.000 0.000 0.264 304 V C 1.223 177.418 176.094 0.168 0.000 1.049 304 V CA -0.007 62.337 62.300 0.072 0.000 0.932 304 V CB 0.871 32.713 31.823 0.031 0.000 1.011 304 V HN 0.830 nan 8.190 nan 0.000 0.475 305 G N 6.525 115.354 108.800 0.048 0.000 2.621 305 G HA2 0.463 4.423 3.960 -0.000 0.000 0.271 305 G HA3 0.463 4.423 3.960 -0.000 0.000 0.271 305 G C -2.701 172.190 174.900 -0.014 0.000 1.236 305 G CA -1.150 43.909 45.100 -0.069 0.000 0.958 305 G HN 0.570 nan 8.290 nan 0.000 0.512 306 P HA 0.174 nan 4.420 nan 0.000 0.274 306 P C -0.752 176.526 177.300 -0.037 0.000 1.237 306 P CA -0.229 62.863 63.100 -0.013 0.000 0.793 306 P CB 0.445 32.117 31.700 -0.047 0.000 0.977 307 D N -0.982 119.419 120.400 0.002 0.000 2.737 307 D HA -0.116 4.524 4.640 -0.000 0.000 0.238 307 D C -0.731 175.571 176.300 0.003 0.000 1.157 307 D CA 1.176 55.178 54.000 0.003 0.000 0.694 307 D CB -1.839 38.945 40.800 -0.027 0.000 1.021 307 D HN 0.304 nan 8.370 nan 0.000 0.420 308 T N 0.757 115.325 114.554 0.023 0.000 2.807 308 T HA 0.511 4.861 4.350 -0.000 0.000 0.279 308 T C 0.299 175.016 174.700 0.029 0.000 0.993 308 T CA -0.477 61.636 62.100 0.020 0.000 0.970 308 T CB 2.038 70.909 68.868 0.004 0.000 0.950 308 T HN -0.057 nan 8.240 nan 0.000 0.441 309 T N 4.278 118.840 114.554 0.013 0.000 2.809 309 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 309 T C -0.568 174.048 174.700 -0.139 0.000 0.992 309 T CA -0.597 61.465 62.100 -0.063 0.000 0.957 309 T CB 0.448 69.255 68.868 -0.102 0.000 0.942 309 T HN 0.351 nan 8.240 nan 0.000 0.439 310 L N 2.950 124.117 121.223 -0.094 0.000 2.410 310 L HA 0.644 4.984 4.340 -0.000 0.000 0.270 310 L C -0.291 176.535 176.870 -0.075 0.000 0.983 310 L CA -0.765 54.022 54.840 -0.088 0.000 0.822 310 L CB 2.363 44.390 42.059 -0.053 0.000 1.285 310 L HN 0.587 nan 8.230 nan 0.000 0.409 311 T N 0.628 115.135 114.554 -0.079 0.000 2.906 311 T HA 0.258 4.607 4.350 -0.000 0.000 0.302 311 T C -0.626 174.048 174.700 -0.044 0.000 1.002 311 T CA -0.537 61.530 62.100 -0.055 0.000 0.988 311 T CB 1.067 69.901 68.868 -0.057 0.000 0.972 311 T HN 0.659 nan 8.240 nan 0.000 0.447 312 D N 1.096 121.476 120.400 -0.033 0.000 2.772 312 D HA -0.126 4.514 4.640 -0.000 0.000 0.233 312 D C -0.270 176.008 176.300 -0.036 0.000 1.143 312 D CA 0.566 54.548 54.000 -0.030 0.000 0.700 312 D CB -1.085 39.699 40.800 -0.026 0.000 1.076 312 D HN 0.353 nan 8.370 nan 0.000 0.430 313 V N 0.179 120.070 119.914 -0.039 0.000 2.398 313 V HA 0.647 4.767 4.120 -0.000 0.000 0.286 313 V C 0.661 176.731 176.094 -0.039 0.000 1.026 313 V CA -0.715 61.559 62.300 -0.043 0.000 0.868 313 V CB 1.924 33.717 31.823 -0.049 0.000 0.982 313 V HN 0.330 nan 8.190 nan 0.000 0.443 314 A N 5.061 127.858 122.820 -0.039 0.000 2.289 314 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 314 A C -0.512 177.049 177.584 -0.039 0.000 1.208 314 A CA -0.369 51.646 52.037 -0.036 0.000 0.845 314 A CB 0.775 19.755 19.000 -0.034 0.000 1.125 314 A HN 0.694 nan 8.150 nan 0.000 0.517 315 V N 2.890 122.782 119.914 -0.036 0.000 2.487 315 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 315 V C 1.048 177.122 176.094 -0.033 0.000 1.028 315 V CA -0.189 62.089 62.300 -0.037 0.000 0.860 315 V CB 1.478 33.279 31.823 -0.036 0.000 0.991 315 V HN 1.149 nan 8.190 nan 0.000 0.427 316 G N 2.360 111.140 108.800 -0.034 0.000 2.621 316 G HA2 0.255 4.214 3.960 -0.000 0.000 0.271 316 G HA3 0.255 4.214 3.960 -0.000 0.000 0.271 316 G C -0.391 174.493 174.900 -0.025 0.000 1.236 316 G CA -0.506 44.577 45.100 -0.030 0.000 0.958 316 G HN 0.673 nan 8.290 nan 0.000 0.512 317 D N -0.214 120.174 120.400 -0.021 0.000 2.390 317 D HA 0.355 4.995 4.640 -0.000 0.000 0.249 317 D C 1.260 177.550 176.300 -0.016 0.000 1.144 317 D CA 1.347 55.337 54.000 -0.016 0.000 0.880 317 D CB 1.140 41.933 40.800 -0.013 0.000 1.182 317 D HN 0.820 nan 8.370 nan 0.000 0.451 318 G N 1.502 110.293 108.800 -0.013 0.000 2.148 318 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.254 318 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.254 318 G C 0.404 175.296 174.900 -0.014 0.000 0.981 318 G CA 0.225 45.319 45.100 -0.011 0.000 0.670 318 G HN 0.808 nan 8.290 nan 0.000 0.528 319 A N -0.224 122.584 122.820 -0.019 0.000 2.327 319 A HA 0.791 5.111 4.320 -0.000 0.000 0.283 319 A C 0.598 178.170 177.584 -0.019 0.000 1.127 319 A CA 0.746 52.769 52.037 -0.024 0.000 0.810 319 A CB 1.188 20.169 19.000 -0.031 0.000 1.066 319 A HN 1.401 nan 8.150 nan 0.000 0.492 320 S N 1.364 117.051 115.700 -0.021 0.000 2.422 320 S HA 0.492 4.962 4.470 -0.000 0.000 0.308 320 S C -0.735 173.848 174.600 -0.027 0.000 1.097 320 S CA -0.471 57.718 58.200 -0.019 0.000 1.099 320 S CB 0.214 63.402 63.200 -0.019 0.000 0.976 320 S HN 0.714 nan 8.310 nan 0.000 0.471 321 V N 6.755 126.655 119.914 -0.023 0.000 2.266 321 V HA 0.392 4.512 4.120 -0.000 0.000 0.271 321 V C -0.449 175.624 176.094 -0.035 0.000 1.032 321 V CA -0.641 61.642 62.300 -0.029 0.000 0.806 321 V CB 0.930 32.738 31.823 -0.025 0.000 1.052 321 V HN 0.694 nan 8.190 nan 0.000 0.449 322 V N 4.537 124.416 119.914 -0.058 0.000 2.435 322 V HA 0.528 4.648 4.120 -0.000 0.000 0.290 322 V C 0.739 176.760 176.094 -0.122 0.000 1.030 322 V CA -1.011 61.232 62.300 -0.094 0.000 0.881 322 V CB 1.356 33.108 31.823 -0.119 0.000 0.983 322 V HN 0.909 nan 8.190 nan 0.000 0.445 323 R N 1.942 122.357 120.500 -0.143 0.000 3.127 323 R HA -0.142 4.198 4.340 -0.000 0.000 0.247 323 R C -0.320 175.917 176.300 -0.106 0.000 0.896 323 R CA 0.651 56.636 56.100 -0.192 0.000 0.624 323 R CB -1.423 28.617 30.300 -0.433 0.000 1.154 323 R HN 0.832 nan 8.270 nan 0.000 0.474 324 T N -0.322 114.220 114.554 -0.020 0.000 2.848 324 T HA 0.234 4.583 4.350 -0.000 0.000 0.285 324 T C -0.736 174.036 174.700 0.119 0.000 0.995 324 T CA -0.724 61.405 62.100 0.049 0.000 0.970 324 T CB 1.830 70.708 68.868 0.016 0.000 0.976 324 T HN 0.316 nan 8.240 nan 0.000 0.441 325 H N 1.287 120.425 119.070 0.113 0.000 2.700 325 H HA 0.577 5.133 4.556 -0.000 0.000 0.269 325 H C 0.316 175.762 175.328 0.196 0.000 1.222 325 H CA 0.053 56.203 56.048 0.169 0.000 1.254 325 H CB 0.021 29.915 29.762 0.219 0.000 1.413 325 H HN 0.834 nan 8.280 nan 0.000 0.507 326 G N 1.898 110.665 108.800 -0.055 0.000 2.420 326 G HA2 0.493 4.453 3.960 -0.000 0.000 0.331 326 G HA3 0.493 4.453 3.960 -0.000 0.000 0.331 326 G C -1.207 173.632 174.900 -0.103 0.000 1.168 326 G CA -0.691 44.374 45.100 -0.058 0.000 0.936 326 G HN 0.590 nan 8.290 nan 0.000 0.479 327 S N -0.642 115.014 115.700 -0.074 0.000 2.649 327 S HA 0.544 5.014 4.470 -0.000 0.000 0.274 327 S C -0.076 174.491 174.600 -0.056 0.000 1.176 327 S CA -0.366 57.798 58.200 -0.059 0.000 0.988 327 S CB 1.401 64.586 63.200 -0.025 0.000 1.071 327 S HN 1.487 nan 8.310 nan 0.000 0.478 328 S N 1.422 117.093 115.700 -0.049 0.000 3.572 328 S HA -0.100 4.370 4.470 -0.000 0.000 0.394 328 S C 0.197 174.763 174.600 -0.057 0.000 0.923 328 S CA 0.906 59.079 58.200 -0.046 0.000 1.291 328 S CB -1.842 61.336 63.200 -0.038 0.000 0.914 328 S HN 1.008 nan 8.310 nan 0.000 0.545 329 S N 0.624 116.289 115.700 -0.059 0.000 2.704 329 S HA 0.876 5.346 4.470 -0.000 0.000 0.296 329 S C -0.308 174.256 174.600 -0.060 0.000 1.138 329 S CA -0.445 57.715 58.200 -0.066 0.000 0.875 329 S CB 2.249 65.403 63.200 -0.075 0.000 1.151 329 S HN 0.868 nan 8.310 nan 0.000 0.500 330 S N 0.460 116.121 115.700 -0.065 0.000 2.614 330 S HA 0.733 5.203 4.470 -0.000 0.000 0.288 330 S C -1.091 173.471 174.600 -0.064 0.000 1.137 330 S CA -0.674 57.490 58.200 -0.059 0.000 0.992 330 S CB 0.325 63.490 63.200 -0.057 0.000 1.026 330 S HN 0.553 nan 8.310 nan 0.000 0.486 331 I N 2.845 123.380 120.570 -0.058 0.000 2.406 331 I HA 0.560 4.730 4.170 -0.000 0.000 0.290 331 I C 1.086 177.170 176.117 -0.056 0.000 0.999 331 I CA -0.731 60.533 61.300 -0.060 0.000 1.124 331 I CB 1.821 39.789 38.000 -0.053 0.000 1.289 331 I HN 0.906 nan 8.210 nan 0.000 0.441 332 G N 4.047 112.809 108.800 -0.064 0.000 2.611 332 G HA2 0.127 4.087 3.960 -0.000 0.000 0.273 332 G HA3 0.127 4.087 3.960 -0.000 0.000 0.273 332 G C -0.421 174.449 174.900 -0.050 0.000 1.305 332 G CA -0.502 44.562 45.100 -0.060 0.000 1.010 332 G HN 0.572 nan 8.290 nan 0.000 0.509 333 D N -0.039 120.334 120.400 -0.045 0.000 2.348 333 D HA 0.361 5.001 4.640 -0.000 0.000 0.253 333 D C 1.200 177.480 176.300 -0.034 0.000 1.161 333 D CA 1.273 55.252 54.000 -0.034 0.000 0.876 333 D CB 1.011 41.795 40.800 -0.026 0.000 1.160 333 D HN 0.829 nan 8.370 nan 0.000 0.459 334 G N 1.791 110.574 108.800 -0.028 0.000 2.221 334 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.265 334 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.265 334 G C 0.256 175.136 174.900 -0.033 0.000 1.041 334 G CA 0.176 45.261 45.100 -0.024 0.000 0.807 334 G HN 0.764 nan 8.290 nan 0.000 0.502 335 A N -0.371 122.424 122.820 -0.042 0.000 2.292 335 A HA 0.924 5.244 4.320 -0.000 0.000 0.319 335 A C 0.539 178.096 177.584 -0.045 0.000 1.206 335 A CA 0.429 52.435 52.037 -0.052 0.000 0.835 335 A CB 1.302 20.263 19.000 -0.064 0.000 1.164 335 A HN 2.043 nan 8.150 nan 0.000 0.505 336 A N 2.709 125.501 122.820 -0.046 0.000 2.294 336 A HA 0.563 4.883 4.320 -0.000 0.000 0.316 336 A C -0.402 177.152 177.584 -0.049 0.000 1.359 336 A CA -0.307 51.705 52.037 -0.042 0.000 0.956 336 A CB -0.171 18.807 19.000 -0.037 0.000 1.155 336 A HN 0.945 nan 8.150 nan 0.000 0.544 337 V N 2.641 122.527 119.914 -0.046 0.000 2.384 337 V HA 0.816 4.936 4.120 -0.000 0.000 0.287 337 V C 0.733 176.799 176.094 -0.047 0.000 1.020 337 V CA 0.603 62.876 62.300 -0.045 0.000 0.850 337 V CB 0.336 32.135 31.823 -0.041 0.000 0.987 337 V HN 1.862 nan 8.190 nan 0.000 0.436 338 G N 6.361 115.133 108.800 -0.047 0.000 2.525 338 G HA2 0.008 3.967 3.960 -0.000 0.000 0.685 338 G HA3 0.008 3.967 3.960 -0.000 0.000 0.685 338 G C -3.244 171.616 174.900 -0.065 0.000 1.290 338 G CA -0.509 44.554 45.100 -0.060 0.000 0.915 338 G HN 0.656 nan 8.290 nan 0.000 0.548 339 P HA 0.615 nan 4.420 nan 0.000 0.282 339 P C 0.229 177.490 177.300 -0.065 0.000 1.287 339 P CA -0.217 62.786 63.100 -0.160 0.000 0.792 339 P CB 0.100 31.645 31.700 -0.257 0.000 1.163 340 F N -3.432 116.452 119.950 -0.110 0.000 3.039 340 F HA -0.167 4.360 4.527 -0.000 0.000 0.287 340 F C 0.078 175.874 175.800 -0.006 0.000 0.956 340 F CA 0.721 58.677 58.000 -0.073 0.000 0.971 340 F CB -2.863 35.997 39.000 -0.234 0.000 0.943 340 F HN 0.074 nan 8.300 nan 0.000 0.766 341 T N -0.326 114.306 114.554 0.130 0.000 2.823 341 T HA 0.484 4.834 4.350 -0.000 0.000 0.279 341 T C -1.030 173.819 174.700 0.247 0.000 0.998 341 T CA -0.572 61.620 62.100 0.154 0.000 0.994 341 T CB 1.786 70.694 68.868 0.067 0.000 0.960 341 T HN 0.141 nan 8.240 nan 0.000 0.448 342 Y N 3.999 124.371 120.300 0.119 0.000 2.345 342 Y HA 0.595 5.144 4.550 -0.000 0.000 0.331 342 Y C -1.425 174.541 175.900 0.111 0.000 0.959 342 Y CA -1.779 56.403 58.100 0.137 0.000 1.204 342 Y CB 0.339 38.883 38.460 0.140 0.000 1.135 342 Y HN 0.521 nan 8.280 nan 0.000 0.477 343 L N 7.091 128.229 121.223 -0.143 0.000 2.309 343 L HA 0.659 4.999 4.340 -0.000 0.000 0.282 343 L C -0.115 176.503 176.870 -0.420 0.000 1.036 343 L CA -0.777 53.914 54.840 -0.248 0.000 0.806 343 L CB 1.556 43.551 42.059 -0.107 0.000 1.220 343 L HN 0.557 nan 8.230 nan 0.000 0.429 344 R N 2.337 122.623 120.500 -0.356 0.000 2.778 344 R HA 0.453 4.793 4.340 -0.000 0.000 0.277 344 R C -2.564 173.653 176.300 -0.139 0.000 0.977 344 R CA -2.077 53.861 56.100 -0.270 0.000 0.950 344 R CB 1.532 31.678 30.300 -0.255 0.000 1.165 344 R HN 0.271 nan 8.270 nan 0.000 0.474 345 P HA -0.082 nan 4.420 nan 0.000 0.257 345 P C 0.405 177.665 177.300 -0.067 0.000 1.162 345 P CA 1.362 64.425 63.100 -0.061 0.000 0.762 345 P CB 0.318 31.998 31.700 -0.035 0.000 0.753 346 G N 1.562 110.319 108.800 -0.071 0.000 2.192 346 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.193 346 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.193 346 G C 0.201 175.042 174.900 -0.097 0.000 0.999 346 G CA -0.338 44.716 45.100 -0.077 0.000 0.659 346 G HN 0.534 nan 8.290 nan 0.000 0.503 347 T N 1.479 115.970 114.554 -0.106 0.000 2.834 347 T HA 0.562 4.912 4.350 -0.000 0.000 0.298 347 T C 0.369 175.006 174.700 -0.105 0.000 0.966 347 T CA 0.976 63.005 62.100 -0.119 0.000 1.141 347 T CB 1.529 70.323 68.868 -0.123 0.000 0.905 347 T HN 1.476 nan 8.240 nan 0.000 0.535 348 A N 4.209 126.960 122.820 -0.115 0.000 2.702 348 A HA 0.576 4.896 4.320 -0.000 0.000 0.305 348 A C -0.618 176.898 177.584 -0.113 0.000 1.213 348 A CA -0.679 51.296 52.037 -0.103 0.000 0.745 348 A CB 0.339 19.281 19.000 -0.096 0.000 1.161 348 A HN 0.714 nan 8.150 nan 0.000 0.445 349 L N 2.740 123.899 121.223 -0.105 0.000 2.292 349 L HA 0.726 5.065 4.340 -0.000 0.000 0.284 349 L C 0.896 177.703 176.870 -0.105 0.000 1.065 349 L CA 0.439 55.212 54.840 -0.111 0.000 0.806 349 L CB 1.245 43.243 42.059 -0.101 0.000 1.175 349 L HN 0.641 nan 8.230 nan 0.000 0.431 350 G N 3.048 111.775 108.800 -0.122 0.000 2.508 350 G HA2 0.530 4.490 3.960 -0.000 0.000 0.278 350 G HA3 0.530 4.490 3.960 -0.000 0.000 0.278 350 G C -0.636 174.193 174.900 -0.119 0.000 1.389 350 G CA -0.287 44.740 45.100 -0.122 0.000 1.050 350 G HN 1.008 nan 8.290 nan 0.000 0.522 351 A N -1.163 121.585 122.820 -0.119 0.000 2.407 351 A HA 0.461 4.781 4.320 -0.000 0.000 0.248 351 A C 0.797 178.302 177.584 -0.132 0.000 1.082 351 A CA 0.586 52.562 52.037 -0.103 0.000 0.785 351 A CB -0.000 18.953 19.000 -0.077 0.000 1.020 351 A HN 0.805 nan 8.150 nan 0.000 0.489 352 D N -0.175 120.169 120.400 -0.094 0.000 3.067 352 D HA -0.167 4.472 4.640 -0.000 0.000 0.216 352 D C 0.686 176.918 176.300 -0.113 0.000 1.162 352 D CA 1.882 55.830 54.000 -0.086 0.000 0.960 352 D CB -1.615 39.144 40.800 -0.067 0.000 1.129 352 D HN 1.016 nan 8.370 nan 0.000 0.408 353 G N 0.557 109.278 108.800 -0.133 0.000 2.432 353 G HA2 0.331 4.291 3.960 -0.000 0.000 0.257 353 G HA3 0.331 4.291 3.960 -0.000 0.000 0.257 353 G C -0.135 174.707 174.900 -0.097 0.000 1.238 353 G CA -0.345 44.674 45.100 -0.135 0.000 0.838 353 G HN 0.086 nan 8.290 nan 0.000 0.547 354 K N 1.903 122.248 120.400 -0.091 0.000 2.323 354 K HA 0.479 4.799 4.320 -0.000 0.000 0.259 354 K C -0.821 175.730 176.600 -0.082 0.000 0.947 354 K CA -0.640 55.600 56.287 -0.077 0.000 0.819 354 K CB 0.998 33.457 32.500 -0.068 0.000 1.109 354 K HN 0.329 nan 8.250 nan 0.000 0.429 355 L N 4.443 125.622 121.223 -0.073 0.000 2.324 355 L HA 0.367 4.707 4.340 -0.000 0.000 0.274 355 L C 0.771 177.602 176.870 -0.065 0.000 1.012 355 L CA -0.689 54.112 54.840 -0.065 0.000 0.859 355 L CB 1.504 43.531 42.059 -0.053 0.000 1.224 355 L HN 0.873 nan 8.230 nan 0.000 0.429 356 G N 1.884 110.629 108.800 -0.092 0.000 2.679 356 G HA2 0.511 4.471 3.960 -0.000 0.000 0.202 356 G HA3 0.511 4.471 3.960 -0.000 0.000 0.202 356 G C -0.057 174.786 174.900 -0.096 0.000 1.566 356 G CA -0.012 45.020 45.100 -0.112 0.000 1.074 356 G HN 0.616 nan 8.290 nan 0.000 0.564 357 A N -1.874 120.858 122.820 -0.146 0.000 2.327 357 A HA 0.591 4.910 4.320 -0.000 0.000 0.283 357 A C -0.351 177.066 177.584 -0.278 0.000 1.127 357 A CA -0.370 51.440 52.037 -0.378 0.000 0.810 357 A CB -0.433 18.161 19.000 -0.677 0.000 1.066 357 A HN 1.198 nan 8.150 nan 0.000 0.492 358 F N -0.337 119.722 119.950 0.182 0.000 3.074 358 F HA -0.156 4.370 4.527 -0.000 0.000 0.287 358 F C -0.039 175.848 175.800 0.146 0.000 0.932 358 F CA 0.243 58.325 58.000 0.138 0.000 0.995 358 F CB -2.493 36.539 39.000 0.053 0.000 0.966 358 F HN 0.252 nan 8.300 nan 0.000 0.721 359 V N 0.045 120.098 119.914 0.231 0.000 2.459 359 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 359 V C 0.150 176.375 176.094 0.217 0.000 1.029 359 V CA -1.007 61.409 62.300 0.193 0.000 0.874 359 V CB 2.176 34.057 31.823 0.096 0.000 0.985 359 V HN 0.314 nan 8.190 nan 0.000 0.438 360 E N 3.269 123.624 120.200 0.258 0.000 2.199 360 E HA 0.674 5.024 4.350 -0.000 0.000 0.265 360 E C -1.837 174.869 176.600 0.177 0.000 0.882 360 E CA -0.484 56.088 56.400 0.286 0.000 0.759 360 E CB 2.141 32.110 29.700 0.448 0.000 1.148 360 E HN 0.497 nan 8.360 nan 0.000 0.412 361 V N 5.085 125.004 119.914 0.009 0.000 2.487 361 V HA 0.413 4.532 4.120 -0.000 0.000 0.298 361 V C -0.343 175.668 176.094 -0.139 0.000 1.028 361 V CA -0.849 61.374 62.300 -0.127 0.000 0.860 361 V CB 1.678 33.411 31.823 -0.149 0.000 0.991 361 V HN 0.520 nan 8.190 nan 0.000 0.427 362 K N 4.291 124.595 120.400 -0.160 0.000 2.502 362 K HA 0.340 4.660 4.320 -0.000 0.000 0.254 362 K C 0.099 176.620 176.600 -0.132 0.000 0.947 362 K CA -0.642 55.591 56.287 -0.091 0.000 0.834 362 K CB 0.991 33.537 32.500 0.076 0.000 1.112 362 K HN 0.712 nan 8.250 nan 0.000 0.427 363 N N 1.840 120.472 118.700 -0.114 0.000 2.688 363 N HA -0.184 4.556 4.740 -0.000 0.000 0.258 363 N C -1.825 173.595 175.510 -0.150 0.000 1.016 363 N CA 1.043 54.028 53.050 -0.109 0.000 0.747 363 N CB -0.678 37.766 38.487 -0.071 0.000 0.895 363 N HN 0.483 nan 8.380 nan 0.000 0.543 364 S N -0.179 115.411 115.700 -0.184 0.000 2.541 364 S HA 0.533 5.003 4.470 -0.000 0.000 0.280 364 S C -0.490 173.989 174.600 -0.202 0.000 1.112 364 S CA -0.754 57.306 58.200 -0.233 0.000 0.925 364 S CB 1.900 64.894 63.200 -0.344 0.000 1.067 364 S HN 0.215 nan 8.310 nan 0.000 0.479 365 T N 2.976 117.413 114.554 -0.195 0.000 2.749 365 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 365 T C -0.194 174.396 174.700 -0.185 0.000 0.970 365 T CA -0.280 61.722 62.100 -0.163 0.000 0.980 365 T CB 0.007 68.797 68.868 -0.130 0.000 0.924 365 T HN 0.414 nan 8.240 nan 0.000 0.456 366 I N 2.240 122.708 120.570 -0.171 0.000 2.404 366 I HA 0.524 4.693 4.170 -0.000 0.000 0.293 366 I C 1.163 177.184 176.117 -0.159 0.000 0.992 366 I CA -0.921 60.274 61.300 -0.176 0.000 1.149 366 I CB 1.583 39.478 38.000 -0.174 0.000 1.315 366 I HN 0.681 nan 8.210 nan 0.000 0.446 367 G N 3.314 112.015 108.800 -0.165 0.000 2.611 367 G HA2 0.256 4.215 3.960 -0.000 0.000 0.273 367 G HA3 0.256 4.215 3.960 -0.000 0.000 0.273 367 G C -0.256 174.507 174.900 -0.228 0.000 1.305 367 G CA -0.352 44.644 45.100 -0.173 0.000 1.010 367 G HN 0.530 nan 8.290 nan 0.000 0.509 368 T N 0.195 114.583 114.554 -0.277 0.000 2.752 368 T HA 0.443 4.792 4.350 -0.000 0.000 0.295 368 T C 1.237 175.485 174.700 -0.753 0.000 0.923 368 T CA 1.127 62.992 62.100 -0.392 0.000 1.112 368 T CB 0.629 69.311 68.868 -0.311 0.000 0.884 368 T HN 1.732 nan 8.240 nan 0.000 0.525 369 G N 3.417 111.865 108.800 -0.586 0.000 2.141 369 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.242 369 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.242 369 G C 0.257 174.958 174.900 -0.332 0.000 0.982 369 G CA -0.181 44.558 45.100 -0.603 0.000 0.662 369 G HN 0.754 nan 8.290 nan 0.000 0.527 370 T N 1.343 115.735 114.554 -0.270 0.000 2.832 370 T HA 0.498 4.848 4.350 -0.000 0.000 0.296 370 T C 0.276 174.905 174.700 -0.119 0.000 0.968 370 T CA 0.111 62.111 62.100 -0.167 0.000 1.107 370 T CB 1.347 70.116 68.868 -0.164 0.000 0.916 370 T HN 0.312 nan 8.240 nan 0.000 0.517 371 K N 2.477 122.830 120.400 -0.079 0.000 2.293 371 K HA 0.505 4.825 4.320 -0.000 0.000 0.267 371 K C -0.978 175.587 176.600 -0.059 0.000 1.010 371 K CA -0.680 55.566 56.287 -0.067 0.000 0.875 371 K CB 1.569 34.042 32.500 -0.045 0.000 1.106 371 K HN 0.301 nan 8.250 nan 0.000 0.450 372 V N 5.386 125.257 119.914 -0.071 0.000 2.250 372 V HA 0.155 4.274 4.120 -0.000 0.000 0.268 372 V C -1.921 174.120 176.094 -0.089 0.000 1.043 372 V CA -1.332 60.938 62.300 -0.050 0.000 0.814 372 V CB 0.693 32.492 31.823 -0.039 0.000 1.072 372 V HN 0.667 nan 8.190 nan 0.000 0.451 373 P HA 0.102 nan 4.420 nan 0.000 0.213 373 P C 0.115 177.169 177.300 -0.410 0.000 1.156 373 P CA 0.881 63.728 63.100 -0.421 0.000 0.884 373 P CB 0.534 31.784 31.700 -0.750 0.000 0.774 374 H N 0.274 119.402 119.070 0.096 0.000 2.505 374 H HA 0.350 4.906 4.556 -0.000 0.000 0.338 374 H C 0.357 175.789 175.328 0.173 0.000 1.057 374 H CA -1.059 55.074 56.048 0.141 0.000 1.202 374 H CB 1.039 30.877 29.762 0.126 0.000 1.466 374 H HN -0.069 nan 8.280 nan 0.000 0.499 375 L N 2.177 123.612 121.223 0.352 0.000 3.795 375 L HA -0.242 4.098 4.340 -0.000 0.000 0.489 375 L C -0.134 176.873 176.870 0.229 0.000 1.259 375 L CA 0.710 55.720 54.840 0.285 0.000 0.765 375 L CB -1.782 40.397 42.059 0.199 0.000 1.519 375 L HN 0.753 nan 8.230 nan 0.000 0.842 376 T N -2.805 111.892 114.554 0.237 0.000 2.907 376 T HA 0.646 4.995 4.350 -0.000 0.000 0.292 376 T C -0.919 173.965 174.700 0.306 0.000 1.043 376 T CA -0.872 61.375 62.100 0.244 0.000 1.003 376 T CB 2.543 71.532 68.868 0.202 0.000 1.084 376 T HN 0.148 nan 8.240 nan 0.000 0.483 377 Y N 1.397 121.814 120.300 0.196 0.000 2.329 377 Y HA 0.584 5.133 4.550 -0.000 0.000 0.328 377 Y C -1.580 174.469 175.900 0.248 0.000 0.992 377 Y CA -1.406 56.802 58.100 0.180 0.000 1.151 377 Y CB 1.383 39.940 38.460 0.162 0.000 1.150 377 Y HN 0.619 nan 8.280 nan 0.000 0.450 378 V N 6.380 126.035 119.914 -0.432 0.000 2.275 378 V HA 0.612 4.731 4.120 -0.000 0.000 0.272 378 V C 0.332 175.897 176.094 -0.881 0.000 1.028 378 V CA -0.294 61.625 62.300 -0.636 0.000 0.810 378 V CB 0.929 32.405 31.823 -0.577 0.000 1.043 378 V HN 0.989 nan 8.190 nan 0.000 0.453 379 G N 2.187 110.433 108.800 -0.924 0.000 2.422 379 G HA2 0.558 4.518 3.960 -0.000 0.000 0.317 379 G HA3 0.558 4.518 3.960 -0.000 0.000 0.317 379 G C -0.429 174.301 174.900 -0.283 0.000 1.210 379 G CA -0.394 44.355 45.100 -0.585 0.000 0.930 379 G HN 0.674 nan 8.290 nan 0.000 0.468 380 D N -0.374 119.889 120.400 -0.228 0.000 2.927 380 D HA -0.093 4.547 4.640 -0.000 0.000 0.236 380 D C 0.407 176.581 176.300 -0.211 0.000 1.163 380 D CA 1.641 55.546 54.000 -0.159 0.000 0.801 380 D CB -0.983 39.782 40.800 -0.060 0.000 0.975 380 D HN 0.959 nan 8.370 nan 0.000 0.413 381 A N 0.901 123.521 122.820 -0.333 0.000 2.587 381 A HA 0.645 4.964 4.320 -0.000 0.000 0.293 381 A C -1.256 176.128 177.584 -0.333 0.000 1.087 381 A CA -0.799 50.998 52.037 -0.401 0.000 0.692 381 A CB 1.945 20.423 19.000 -0.869 0.000 1.291 381 A HN 0.014 nan 8.150 nan 0.000 0.407 382 D N 1.505 121.751 120.400 -0.256 0.000 2.505 382 D HA 0.516 5.156 4.640 -0.000 0.000 0.250 382 D C -0.849 175.342 176.300 -0.181 0.000 1.164 382 D CA 0.250 54.133 54.000 -0.195 0.000 0.870 382 D CB 1.431 42.156 40.800 -0.124 0.000 1.160 382 D HN 0.452 nan 8.370 nan 0.000 0.549 383 I N 0.922 121.374 120.570 -0.195 0.000 2.412 383 I HA 0.435 4.605 4.170 -0.000 0.000 0.296 383 I C 1.375 177.418 176.117 -0.124 0.000 0.987 383 I CA -0.806 60.398 61.300 -0.160 0.000 1.180 383 I CB 1.867 39.754 38.000 -0.188 0.000 1.340 383 I HN 0.194 nan 8.210 nan 0.000 0.455 384 G N 3.984 112.730 108.800 -0.090 0.000 2.553 384 G HA2 0.247 4.207 3.960 -0.000 0.000 0.278 384 G HA3 0.247 4.207 3.960 -0.000 0.000 0.278 384 G C -0.337 174.493 174.900 -0.115 0.000 1.349 384 G CA -0.511 44.543 45.100 -0.077 0.000 1.037 384 G HN 0.673 nan 8.290 nan 0.000 0.508 385 E N -0.964 119.172 120.200 -0.107 0.000 2.331 385 E HA 0.249 4.599 4.350 -0.000 0.000 0.272 385 E C -0.865 175.610 176.600 -0.207 0.000 1.036 385 E CA -0.254 56.043 56.400 -0.172 0.000 0.864 385 E CB 0.625 30.301 29.700 -0.041 0.000 1.035 385 E HN 0.414 nan 8.360 nan 0.000 0.408 386 Y N -0.223 119.913 120.300 -0.273 0.000 3.389 386 Y HA -0.289 4.261 4.550 -0.000 0.000 0.213 386 Y C 0.217 175.954 175.900 -0.271 0.000 1.272 386 Y CA 0.162 58.080 58.100 -0.302 0.000 1.444 386 Y CB -1.999 36.203 38.460 -0.430 0.000 1.445 386 Y HN 0.270 nan 8.280 nan 0.000 0.583 387 S N -0.506 115.131 115.700 -0.105 0.000 2.738 387 S HA 0.615 5.085 4.470 -0.000 0.000 0.284 387 S C -0.006 174.569 174.600 -0.043 0.000 1.146 387 S CA -0.805 57.356 58.200 -0.065 0.000 0.997 387 S CB 1.858 65.017 63.200 -0.067 0.000 1.081 387 S HN 0.421 nan 8.310 nan 0.000 0.553 388 N N -0.019 118.663 118.700 -0.031 0.000 2.336 388 N HA 0.422 5.162 4.740 -0.000 0.000 0.290 388 N C -1.803 173.719 175.510 0.020 0.000 1.058 388 N CA -0.383 52.661 53.050 -0.011 0.000 0.865 388 N CB 0.691 39.174 38.487 -0.006 0.000 1.581 388 N HN 0.309 nan 8.380 nan 0.000 0.480 389 I N 1.997 122.595 120.570 0.045 0.000 2.354 389 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 389 I C 1.324 177.509 176.117 0.113 0.000 0.989 389 I CA -0.573 60.792 61.300 0.108 0.000 1.188 389 I CB 0.622 38.702 38.000 0.132 0.000 1.342 389 I HN 0.586 nan 8.210 nan 0.000 0.457 390 G N 4.117 112.996 108.800 0.133 0.000 2.569 390 G HA2 0.436 4.396 3.960 -0.000 0.000 0.249 390 G HA3 0.436 4.396 3.960 -0.000 0.000 0.249 390 G C 0.074 175.061 174.900 0.146 0.000 1.216 390 G CA -0.343 44.830 45.100 0.123 0.000 0.845 390 G HN 0.811 nan 8.290 nan 0.000 0.568 391 A N 0.469 123.384 122.820 0.158 0.000 2.407 391 A HA 0.510 4.830 4.320 -0.000 0.000 0.248 391 A C 1.375 179.037 177.584 0.129 0.000 1.082 391 A CA 0.916 53.064 52.037 0.184 0.000 0.785 391 A CB 0.198 19.315 19.000 0.195 0.000 1.020 391 A HN 2.210 nan 8.150 nan 0.000 0.489 392 S N 0.386 116.170 115.700 0.141 0.000 3.635 392 S HA -0.146 4.324 4.470 -0.000 0.000 0.328 392 S C 0.246 174.903 174.600 0.095 0.000 1.135 392 S CA 0.803 59.066 58.200 0.104 0.000 0.942 392 S CB -1.752 61.483 63.200 0.060 0.000 0.930 392 S HN 1.332 nan 8.310 nan 0.000 0.512 393 S N 0.712 116.492 115.700 0.133 0.000 2.475 393 S HA 0.763 5.233 4.470 -0.000 0.000 0.298 393 S C 0.032 174.756 174.600 0.207 0.000 1.119 393 S CA -0.097 58.181 58.200 0.131 0.000 1.085 393 S CB 1.974 65.271 63.200 0.162 0.000 1.028 393 S HN 1.152 nan 8.310 nan 0.000 0.489 394 V N -0.137 119.889 119.914 0.186 0.000 2.914 394 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 394 V C -1.376 174.867 176.094 0.247 0.000 1.084 394 V CA -1.082 61.398 62.300 0.300 0.000 0.963 394 V CB 1.279 33.290 31.823 0.314 0.000 1.025 394 V HN 0.730 nan 8.190 nan 0.000 0.432 395 F N 2.293 122.382 119.950 0.232 0.000 2.313 395 F HA 0.609 5.135 4.527 -0.000 0.000 0.369 395 F C 0.315 176.227 175.800 0.188 0.000 1.109 395 F CA -0.621 57.466 58.000 0.145 0.000 1.132 395 F CB 1.640 40.553 39.000 -0.146 0.000 1.291 395 F HN 0.391 nan 8.300 nan 0.000 0.496 396 V N 4.106 124.197 119.914 0.295 0.000 2.583 396 V HA 0.224 4.344 4.120 -0.000 0.000 0.287 396 V C 0.227 176.440 176.094 0.198 0.000 1.051 396 V CA -0.782 61.658 62.300 0.233 0.000 1.010 396 V CB 0.622 32.533 31.823 0.147 0.000 0.988 396 V HN 0.608 nan 8.190 nan 0.000 0.478 406 T N 2.664 117.232 114.554 0.022 0.000 2.916 406 T HA 0.281 4.631 4.350 -0.000 0.000 0.303 406 T C -0.306 174.386 174.700 -0.013 0.000 1.025 406 T CA 0.167 62.298 62.100 0.051 0.000 1.142 406 T CB 0.999 69.957 68.868 0.150 0.000 0.947 406 T HN 0.462 nan 8.240 nan 0.000 0.544 407 T N 2.513 117.075 114.554 0.014 0.000 2.928 407 T HA 0.509 4.859 4.350 -0.000 0.000 0.296 407 T C -0.499 174.204 174.700 0.006 0.000 1.000 407 T CA -0.655 61.434 62.100 -0.017 0.000 0.989 407 T CB 1.274 70.137 68.868 -0.008 0.000 1.005 407 T HN 0.379 nan 8.240 nan 0.000 0.442 408 V N 2.408 122.304 119.914 -0.029 0.000 2.513 408 V HA 0.773 4.893 4.120 -0.000 0.000 0.299 408 V C 1.012 177.099 176.094 -0.011 0.000 1.035 408 V CA -0.709 61.589 62.300 -0.004 0.000 0.889 408 V CB 1.743 33.551 31.823 -0.025 0.000 0.988 408 V HN 1.028 nan 8.190 nan 0.000 0.440 409 G N 2.716 111.526 108.800 0.017 0.000 2.516 409 G HA2 0.400 4.359 3.960 -0.000 0.000 0.276 409 G HA3 0.400 4.359 3.960 -0.000 0.000 0.276 409 G C -0.001 174.909 174.900 0.017 0.000 1.390 409 G CA -0.372 44.741 45.100 0.023 0.000 1.050 409 G HN 0.662 nan 8.290 nan 0.000 0.519 410 S N -0.702 115.028 115.700 0.049 0.000 2.585 410 S HA 0.389 4.858 4.470 -0.000 0.000 0.277 410 S C -0.049 174.631 174.600 0.134 0.000 1.241 410 S CA -0.356 57.871 58.200 0.046 0.000 1.041 410 S CB 0.614 63.878 63.200 0.106 0.000 0.987 410 S HN 0.645 nan 8.310 nan 0.000 0.512 411 H N -1.270 117.835 119.070 0.058 0.000 2.791 411 H HA -0.122 4.434 4.556 -0.000 0.000 0.302 411 H C -0.790 174.528 175.328 -0.017 0.000 1.198 411 H CA 0.328 56.402 56.048 0.042 0.000 1.145 411 H CB -2.121 27.669 29.762 0.046 0.000 1.385 411 H HN 0.235 nan 8.280 nan 0.000 0.409 412 V N 1.447 121.373 119.914 0.019 0.000 2.364 412 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 412 V C 1.062 177.071 176.094 -0.142 0.000 1.036 412 V CA -0.269 61.998 62.300 -0.055 0.000 0.880 412 V CB 1.762 33.585 31.823 -0.000 0.000 0.991 412 V HN 0.198 nan 8.190 nan 0.000 0.460 413 R N 3.267 123.541 120.500 -0.377 0.000 2.369 413 R HA 0.325 4.665 4.340 -0.000 0.000 0.310 413 R C 0.239 176.377 176.300 -0.271 0.000 1.141 413 R CA -0.296 55.567 56.100 -0.395 0.000 1.116 413 R CB 0.936 30.837 30.300 -0.665 0.000 1.135 413 R HN 0.873 nan 8.270 nan 0.000 0.529 414 T N -0.605 113.918 114.554 -0.051 0.000 2.869 414 T HA 0.355 4.705 4.350 -0.000 0.000 0.295 414 T C 0.970 175.702 174.700 0.053 0.000 0.987 414 T CA -0.792 61.341 62.100 0.054 0.000 1.109 414 T CB 1.813 70.818 68.868 0.228 0.000 0.932 414 T HN 0.480 nan 8.240 nan 0.000 0.518 415 G N 1.774 110.601 108.800 0.045 0.000 2.651 415 G HA2 0.432 4.392 3.960 -0.000 0.000 0.260 415 G HA3 0.432 4.392 3.960 -0.000 0.000 0.260 415 G C -0.076 174.846 174.900 0.037 0.000 1.216 415 G CA -0.896 44.233 45.100 0.047 0.000 0.913 415 G HN 0.818 nan 8.290 nan 0.000 0.535 416 S N -0.860 114.864 115.700 0.040 0.000 2.576 416 S HA 0.238 4.708 4.470 -0.000 0.000 0.276 416 S C 0.450 175.052 174.600 0.004 0.000 1.339 416 S CA 0.465 58.689 58.200 0.040 0.000 1.039 416 S CB 0.911 64.137 63.200 0.044 0.000 0.902 416 S HN 0.812 nan 8.310 nan 0.000 0.516 417 D N 0.813 121.218 120.400 0.008 0.000 2.699 417 D HA -0.149 4.490 4.640 -0.000 0.000 0.239 417 D C -0.777 175.470 176.300 -0.090 0.000 1.136 417 D CA 0.751 54.737 54.000 -0.023 0.000 0.668 417 D CB -1.204 39.583 40.800 -0.023 0.000 1.060 417 D HN 0.431 nan 8.370 nan 0.000 0.429 418 T N 2.220 116.692 114.554 -0.138 0.000 2.733 418 T HA 0.365 4.714 4.350 -0.000 0.000 0.294 418 T C 0.584 174.966 174.700 -0.530 0.000 0.956 418 T CA -0.743 61.140 62.100 -0.362 0.000 0.987 418 T CB 0.797 69.390 68.868 -0.458 0.000 0.920 418 T HN 0.067 nan 8.240 nan 0.000 0.470 419 M N 4.038 123.360 119.600 -0.463 0.000 2.120 419 M HA 0.365 4.844 4.480 -0.000 0.000 0.354 419 M C -0.796 175.186 176.300 -0.531 0.000 1.287 419 M CA -0.536 54.553 55.300 -0.351 0.000 1.103 419 M CB -0.184 32.313 32.600 -0.172 0.000 1.623 419 M HN 0.460 nan 8.290 nan 0.000 0.471 420 F N 2.586 122.386 119.950 -0.251 0.000 2.332 420 F HA 0.374 4.901 4.527 -0.000 0.000 0.368 420 F C 0.185 175.936 175.800 -0.082 0.000 1.110 420 F CA -0.780 57.071 58.000 -0.248 0.000 1.087 420 F CB 0.751 39.399 39.000 -0.587 0.000 1.235 420 F HN 0.173 nan 8.300 nan 0.000 0.470 421 V N 4.220 124.185 119.914 0.086 0.000 2.353 421 V HA 0.472 4.592 4.120 -0.000 0.000 0.264 421 V C 0.600 176.760 176.094 0.109 0.000 1.049 421 V CA -0.961 61.390 62.300 0.084 0.000 0.896 421 V CB 0.388 32.233 31.823 0.036 0.000 1.025 421 V HN 0.832 nan 8.190 nan 0.000 0.475 422 A N 8.247 131.143 122.820 0.127 0.000 2.498 422 A HA 0.568 4.888 4.320 -0.000 0.000 0.239 422 A C -1.768 175.863 177.584 0.078 0.000 1.068 422 A CA -0.615 51.491 52.037 0.115 0.000 0.766 422 A CB -0.222 18.845 19.000 0.113 0.000 1.003 422 A HN 0.708 nan 8.150 nan 0.000 0.497 423 P HA 0.576 nan 4.420 nan 0.000 0.292 423 P C -1.225 176.126 177.300 0.085 0.000 1.283 423 P CA -0.454 62.691 63.100 0.075 0.000 0.835 423 P CB 1.540 33.271 31.700 0.051 0.000 1.017 424 V N 2.397 122.377 119.914 0.110 0.000 2.577 424 V HA 0.346 4.466 4.120 -0.000 0.000 0.303 424 V C -0.187 175.971 176.094 0.106 0.000 1.042 424 V CA -0.329 62.044 62.300 0.121 0.000 0.872 424 V CB 2.156 34.093 31.823 0.191 0.000 0.998 424 V HN 0.568 nan 8.190 nan 0.000 0.423 425 T N 6.452 121.054 114.554 0.081 0.000 2.770 425 T HA 0.629 4.979 4.350 -0.000 0.000 0.297 425 T C -0.225 174.519 174.700 0.073 0.000 0.997 425 T CA -0.064 62.074 62.100 0.064 0.000 0.949 425 T CB 0.481 69.376 68.868 0.044 0.000 0.941 425 T HN 0.382 nan 8.240 nan 0.000 0.457 426 I N 2.660 123.277 120.570 0.079 0.000 2.336 426 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 426 I C 1.217 177.372 176.117 0.064 0.000 0.991 426 I CA -0.745 60.606 61.300 0.084 0.000 1.227 426 I CB 1.327 39.396 38.000 0.114 0.000 1.366 426 I HN 0.652 nan 8.210 nan 0.000 0.466 427 G N 3.689 112.526 108.800 0.063 0.000 2.634 427 G HA2 0.171 4.131 3.960 -0.000 0.000 0.255 427 G HA3 0.171 4.131 3.960 -0.000 0.000 0.255 427 G C -0.650 174.290 174.900 0.065 0.000 1.205 427 G CA -0.471 44.663 45.100 0.057 0.000 0.884 427 G HN 0.567 nan 8.290 nan 0.000 0.549 428 D N -0.468 119.972 120.400 0.066 0.000 2.383 428 D HA 0.417 5.057 4.640 -0.000 0.000 0.252 428 D C 1.172 177.529 176.300 0.096 0.000 1.166 428 D CA 1.414 55.466 54.000 0.087 0.000 0.879 428 D CB 0.927 41.782 40.800 0.092 0.000 1.164 428 D HN 0.839 nan 8.370 nan 0.000 0.462 429 G N 1.063 109.934 108.800 0.119 0.000 2.137 429 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.237 429 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.237 429 G C 0.426 175.417 174.900 0.152 0.000 1.002 429 G CA 0.046 45.225 45.100 0.131 0.000 0.702 429 G HN 0.793 nan 8.290 nan 0.000 0.515 430 A N -0.938 121.950 122.820 0.114 0.000 2.271 430 A HA 0.854 5.174 4.320 -0.000 0.000 0.288 430 A C -0.331 177.325 177.584 0.120 0.000 1.094 430 A CA -0.301 51.823 52.037 0.146 0.000 0.828 430 A CB 0.875 19.939 19.000 0.107 0.000 1.091 430 A HN 0.731 nan 8.150 nan 0.000 0.493 431 Y N -1.059 119.275 120.300 0.056 0.000 2.602 431 Y HA 0.590 5.140 4.550 -0.000 0.000 0.342 431 Y C 0.274 176.198 175.900 0.042 0.000 1.029 431 Y CA -0.125 58.006 58.100 0.052 0.000 1.080 431 Y CB 2.921 41.404 38.460 0.039 0.000 1.284 431 Y HN 0.661 nan 8.280 nan 0.000 0.485 432 T N 0.774 115.436 114.554 0.179 0.000 2.933 432 T HA 0.486 4.836 4.350 -0.000 0.000 0.305 432 T C -0.111 174.645 174.700 0.093 0.000 1.092 432 T CA -0.863 61.292 62.100 0.092 0.000 1.008 432 T CB 1.528 70.409 68.868 0.021 0.000 1.102 432 T HN 0.892 nan 8.240 nan 0.000 0.469 433 G N 0.841 109.669 108.800 0.048 0.000 2.572 433 G HA2 0.531 4.491 3.960 -0.000 0.000 0.261 433 G HA3 0.531 4.491 3.960 -0.000 0.000 0.261 433 G C 0.007 174.912 174.900 0.008 0.000 1.197 433 G CA -0.672 44.449 45.100 0.035 0.000 0.870 433 G HN 1.025 nan 8.290 nan 0.000 0.548 434 A N -0.293 122.534 122.820 0.012 0.000 2.396 434 A HA 0.587 4.907 4.320 -0.000 0.000 0.279 434 A C 1.232 178.802 177.584 -0.022 0.000 1.165 434 A CA 0.664 52.701 52.037 0.000 0.000 0.824 434 A CB -0.456 18.550 19.000 0.010 0.000 1.100 434 A HN 2.539 nan 8.150 nan 0.000 0.516 435 G N 2.848 111.625 108.800 -0.039 0.000 2.452 435 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.275 435 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.275 435 G C -0.029 174.828 174.900 -0.072 0.000 1.131 435 G CA 0.133 45.201 45.100 -0.054 0.000 1.031 435 G HN 1.137 nan 8.290 nan 0.000 0.511 436 T N -0.003 114.487 114.554 -0.107 0.000 2.812 436 T HA 0.520 4.870 4.350 -0.000 0.000 0.282 436 T C 0.320 174.906 174.700 -0.190 0.000 0.990 436 T CA -0.535 61.489 62.100 -0.125 0.000 0.960 436 T CB 2.329 71.129 68.868 -0.113 0.000 0.948 436 T HN 0.579 nan 8.240 nan 0.000 0.438 437 V N 4.480 124.303 119.914 -0.152 0.000 2.339 437 V HA 0.238 4.358 4.120 -0.000 0.000 0.261 437 V C 0.230 176.225 176.094 -0.166 0.000 1.058 437 V CA -0.635 61.564 62.300 -0.169 0.000 0.897 437 V CB 0.624 32.384 31.823 -0.105 0.000 1.052 437 V HN 0.695 nan 8.190 nan 0.000 0.480 438 V N 6.954 126.718 119.914 -0.249 0.000 2.406 438 V HA 0.397 4.517 4.120 -0.000 0.000 0.272 438 V C 0.928 176.969 176.094 -0.090 0.000 1.043 438 V CA -0.214 61.980 62.300 -0.177 0.000 0.915 438 V CB 1.148 32.826 31.823 -0.242 0.000 0.988 438 V HN 0.837 nan 8.190 nan 0.000 0.466 439 R N 1.870 122.349 120.500 -0.035 0.000 2.383 439 R HA 0.298 4.638 4.340 -0.000 0.000 0.205 439 R C 0.350 176.664 176.300 0.022 0.000 0.875 439 R CA -0.037 56.063 56.100 -0.001 0.000 1.039 439 R CB 0.971 31.267 30.300 -0.007 0.000 1.267 439 R HN 0.692 nan 8.270 nan 0.000 0.635 440 E N 0.579 120.790 120.200 0.019 0.000 2.281 440 E HA 0.173 4.523 4.350 -0.000 0.000 0.257 440 E C -1.168 175.457 176.600 0.042 0.000 0.971 440 E CA -0.924 55.493 56.400 0.029 0.000 0.839 440 E CB 1.020 30.731 29.700 0.019 0.000 1.238 440 E HN -0.085 nan 8.360 nan 0.000 0.412 441 D N 0.504 120.929 120.400 0.043 0.000 2.414 441 D HA 0.155 4.795 4.640 -0.000 0.000 0.242 441 D C -0.882 175.447 176.300 0.049 0.000 1.129 441 D CA 0.076 54.107 54.000 0.051 0.000 0.885 441 D CB 0.918 41.743 40.800 0.043 0.000 1.198 441 D HN -0.063 nan 8.370 nan 0.000 0.437 442 V N 4.094 124.045 119.914 0.061 0.000 2.384 442 V HA 0.325 4.445 4.120 -0.000 0.000 0.287 442 V C -2.093 174.036 176.094 0.058 0.000 1.020 442 V CA -1.725 60.611 62.300 0.060 0.000 0.850 442 V CB 1.523 33.392 31.823 0.076 0.000 0.987 442 V HN 0.451 nan 8.190 nan 0.000 0.436 443 P HA 0.226 nan 4.420 nan 0.000 0.269 443 P C -2.709 174.625 177.300 0.056 0.000 1.215 443 P CA -1.434 61.694 63.100 0.046 0.000 0.780 443 P CB -0.176 31.547 31.700 0.039 0.000 0.898 444 P HA 0.119 nan 4.420 nan 0.000 0.266 444 P C 0.547 177.886 177.300 0.064 0.000 1.215 444 P CA 1.023 64.158 63.100 0.059 0.000 0.763 444 P CB -0.156 31.573 31.700 0.048 0.000 0.806 445 G N 2.394 111.246 108.800 0.087 0.000 2.326 445 G HA2 0.064 4.024 3.960 -0.000 0.000 0.286 445 G HA3 0.064 4.024 3.960 -0.000 0.000 0.286 445 G C -0.034 174.919 174.900 0.088 0.000 1.096 445 G CA -0.114 45.045 45.100 0.098 0.000 1.003 445 G HN 0.811 nan 8.290 nan 0.000 0.503 446 A N -0.403 122.479 122.820 0.104 0.000 2.449 446 A HA 0.849 5.168 4.320 -0.000 0.000 0.302 446 A C -0.393 177.257 177.584 0.110 0.000 1.048 446 A CA -0.612 51.475 52.037 0.083 0.000 0.708 446 A CB 1.797 20.833 19.000 0.060 0.000 1.274 446 A HN 1.607 nan 8.150 nan 0.000 0.410 447 L N 2.148 123.421 121.223 0.084 0.000 2.305 447 L HA 0.693 5.033 4.340 -0.000 0.000 0.281 447 L C 0.354 177.261 176.870 0.061 0.000 1.085 447 L CA 0.280 55.176 54.840 0.093 0.000 0.813 447 L CB 1.172 43.261 42.059 0.049 0.000 1.157 447 L HN 0.890 nan 8.230 nan 0.000 0.436 448 A N 6.011 128.868 122.820 0.061 0.000 2.258 448 A HA 0.695 5.015 4.320 -0.000 0.000 0.316 448 A C -1.030 176.557 177.584 0.004 0.000 1.279 448 A CA -0.359 51.692 52.037 0.023 0.000 0.876 448 A CB 0.705 19.712 19.000 0.012 0.000 1.170 448 A HN 0.860 nan 8.150 nan 0.000 0.520 449 V N 1.060 120.970 119.914 -0.006 0.000 2.709 449 V HA 0.858 4.978 4.120 -0.000 0.000 0.308 449 V C 0.218 176.296 176.094 -0.026 0.000 1.062 449 V CA 0.153 62.444 62.300 -0.015 0.000 0.901 449 V CB 1.354 33.173 31.823 -0.006 0.000 1.003 449 V HN 1.245 nan 8.190 nan 0.000 0.425 450 S N 1.375 117.054 115.700 -0.036 0.000 2.820 450 S HA 0.539 5.009 4.470 -0.000 0.000 0.265 450 S C 0.626 175.204 174.600 -0.037 0.000 1.043 450 S CA 0.346 58.524 58.200 -0.037 0.000 1.245 450 S CB 0.336 63.507 63.200 -0.048 0.000 1.187 450 S HN 1.888 nan 8.310 nan 0.000 0.673 451 A N 1.474 124.273 122.820 -0.035 0.000 2.440 451 A HA 0.682 5.002 4.320 -0.000 0.000 0.251 451 A C 0.808 178.375 177.584 -0.029 0.000 1.089 451 A CA 0.140 52.157 52.037 -0.033 0.000 0.779 451 A CB -0.226 18.756 19.000 -0.030 0.000 1.022 451 A HN 0.725 nan 8.150 nan 0.000 0.492 452 G N 2.336 111.117 108.800 -0.031 0.000 2.432 452 G HA2 0.502 4.462 3.960 -0.000 0.000 0.257 452 G HA3 0.502 4.462 3.960 -0.000 0.000 0.257 452 G C -2.210 172.673 174.900 -0.029 0.000 1.238 452 G CA -0.707 44.376 45.100 -0.029 0.000 0.838 452 G HN 0.657 nan 8.290 nan 0.000 0.547 453 P HA 0.175 nan 4.420 nan 0.000 0.275 453 P C -0.108 177.174 177.300 -0.031 0.000 1.228 453 P CA -0.501 62.584 63.100 -0.025 0.000 0.786 453 P CB 0.783 32.470 31.700 -0.021 0.000 0.927 454 Q N 2.127 121.909 119.800 -0.030 0.000 2.311 454 Q HA 0.083 4.422 4.340 -0.000 0.000 0.272 454 Q C -0.209 175.768 176.000 -0.037 0.000 1.012 454 Q CA 0.017 55.798 55.803 -0.037 0.000 0.891 454 Q CB 0.491 29.209 28.738 -0.033 0.000 1.201 454 Q HN 0.327 nan 8.270 nan 0.000 0.391 455 R N 3.817 124.288 120.500 -0.049 0.000 2.439 455 R HA 0.346 4.686 4.340 -0.000 0.000 0.310 455 R C -1.410 174.854 176.300 -0.060 0.000 0.955 455 R CA -0.656 55.415 56.100 -0.048 0.000 0.853 455 R CB 0.861 31.132 30.300 -0.049 0.000 1.171 455 R HN 0.590 nan 8.270 nan 0.000 0.449 456 N N 4.709 123.383 118.700 -0.044 0.000 2.419 456 N HA 0.360 5.100 4.740 -0.000 0.000 0.277 456 N C -0.867 174.626 175.510 -0.028 0.000 1.006 456 N CA -0.374 52.650 53.050 -0.043 0.000 0.923 456 N CB 1.624 40.096 38.487 -0.024 0.000 1.140 456 N HN 0.502 nan 8.380 nan 0.000 0.488 457 I N 1.271 121.820 120.570 -0.035 0.000 2.359 457 I HA 0.190 4.359 4.170 -0.000 0.000 0.284 457 I C 0.387 176.551 176.117 0.077 0.000 1.018 457 I CA -0.552 60.759 61.300 0.019 0.000 1.173 457 I CB 0.866 38.871 38.000 0.008 0.000 1.326 457 I HN 0.215 nan 8.210 nan 0.000 0.462 458 E N 5.897 126.139 120.200 0.070 0.000 2.373 458 E HA 0.119 4.469 4.350 -0.000 0.000 0.267 458 E C -0.086 176.578 176.600 0.106 0.000 1.032 458 E CA -0.187 56.258 56.400 0.076 0.000 0.889 458 E CB 0.359 30.087 29.700 0.047 0.000 0.984 458 E HN 0.468 nan 8.360 nan 0.000 0.425 459 N N 1.620 120.383 118.700 0.106 0.000 2.740 459 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 459 N C -0.256 175.331 175.510 0.128 0.000 1.062 459 N CA 0.685 53.790 53.050 0.093 0.000 0.704 459 N CB -1.266 37.250 38.487 0.048 0.000 0.968 459 N HN 0.705 nan 8.380 nan 0.000 0.547 460 W N 0.333 121.631 121.300 -0.004 0.000 2.494 460 W HA 0.112 4.772 4.660 -0.000 0.000 0.286 460 W C 1.645 178.162 176.519 -0.004 0.000 1.218 460 W CA 1.019 58.361 57.345 -0.004 0.000 1.313 460 W CB -0.010 29.447 29.460 -0.004 0.000 1.105 460 W HN 0.037 nan 8.180 nan 0.000 0.561 461 V N 1.098 121.106 119.914 0.156 0.000 2.515 461 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 461 V C 2.615 178.634 176.094 -0.124 0.000 1.058 461 V CA 2.553 64.852 62.300 -0.002 0.000 1.064 461 V CB -1.850 30.047 31.823 0.124 0.000 0.675 461 V HN 0.420 nan 8.190 nan 0.000 0.461 462 Q N 0.109 119.864 119.800 -0.075 0.000 2.224 462 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 462 Q C 2.255 178.178 176.000 -0.129 0.000 0.970 462 Q CA 1.721 57.477 55.803 -0.078 0.000 0.865 462 Q CB -0.512 28.205 28.738 -0.035 0.000 0.922 462 Q HN 0.722 nan 8.270 nan 0.000 0.445 463 R N -0.895 119.484 120.500 -0.203 0.000 2.103 463 R HA 0.091 4.431 4.340 -0.000 0.000 0.212 463 R C 2.981 179.087 176.300 -0.323 0.000 1.107 463 R CA 1.103 57.067 56.100 -0.227 0.000 1.025 463 R CB 0.012 30.189 30.300 -0.206 0.000 0.929 463 R HN 0.467 nan 8.270 nan 0.000 0.456 464 K N 1.346 121.403 120.400 -0.571 0.000 2.044 464 K HA 0.044 4.364 4.320 -0.000 0.000 0.204 464 K C 1.476 177.840 176.600 -0.393 0.000 1.049 464 K CA 1.449 57.351 56.287 -0.642 0.000 0.945 464 K CB -0.881 30.796 32.500 -1.371 0.000 0.724 464 K HN 0.327 nan 8.250 nan 0.000 0.440 465 R N 2.193 122.485 120.500 -0.345 0.000 2.254 465 R HA 0.406 4.745 4.340 -0.000 0.000 0.318 465 R C -1.656 174.569 176.300 -0.126 0.000 1.031 465 R CA -0.946 55.046 56.100 -0.180 0.000 0.905 465 R CB 0.127 30.356 30.300 -0.117 0.000 1.050 465 R HN 0.421 nan 8.270 nan 0.000 0.456 466 P HA 0.035 nan 4.420 nan 0.000 0.222 466 P C 0.626 177.897 177.300 -0.048 0.000 1.153 466 P CA 1.696 64.756 63.100 -0.067 0.000 0.798 466 P CB 0.635 32.303 31.700 -0.054 0.000 0.796 467 G N -2.727 106.049 108.800 -0.041 0.000 2.894 467 G HA2 0.461 4.421 3.960 -0.000 0.000 0.164 467 G HA3 0.461 4.421 3.960 -0.000 0.000 0.164 467 G C 0.546 175.436 174.900 -0.017 0.000 1.180 467 G CA 0.893 45.977 45.100 -0.026 0.000 0.997 467 G HN 0.295 nan 8.290 nan 0.000 0.572 468 S N 0.278 115.972 115.700 -0.010 0.000 4.157 468 S HA -0.225 4.245 4.470 -0.000 0.000 0.542 468 S C -0.033 174.569 174.600 0.004 0.000 1.864 468 S CA 2.816 61.015 58.200 -0.002 0.000 4.245 468 S CB -2.623 60.577 63.200 0.001 0.000 0.266 468 S HN 0.888 nan 8.310 nan 0.000 0.457 469 P HA 0.511 nan 4.420 nan 0.000 0.245 469 P C 1.224 178.536 177.300 0.019 0.000 1.212 469 P CA 1.308 64.420 63.100 0.020 0.000 0.774 469 P CB -0.043 31.677 31.700 0.035 0.000 0.999 470 A N 0.275 123.100 122.820 0.007 0.000 1.930 470 A HA 0.230 4.549 4.320 -0.000 0.000 0.217 470 A C 1.437 179.023 177.584 0.002 0.000 1.175 470 A CA 1.141 53.178 52.037 0.001 0.000 0.627 470 A CB -0.917 18.070 19.000 -0.021 0.000 0.815 470 A HN 0.276 nan 8.150 nan 0.000 0.443 471 A N -0.819 122.001 122.820 -0.000 0.000 2.258 471 A HA 0.647 4.967 4.320 -0.000 0.000 0.316 471 A C -0.035 177.552 177.584 0.004 0.000 1.279 471 A CA 0.371 52.408 52.037 0.000 0.000 0.876 471 A CB 0.245 19.243 19.000 -0.004 0.000 1.170 471 A HN 0.904 nan 8.150 nan 0.000 0.520 472 Q N 0.539 120.342 119.800 0.006 0.000 2.301 472 Q HA 0.842 5.182 4.340 -0.000 0.000 0.267 472 Q C -0.204 175.802 176.000 0.010 0.000 1.035 472 Q CA -0.373 55.433 55.803 0.006 0.000 0.856 472 Q CB 1.791 30.532 28.738 0.004 0.000 1.337 472 Q HN 2.348 nan 8.270 nan 0.000 0.450 473 A N 0.000 122.827 122.820 0.011 0.000 2.254 473 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 473 A CA 0.000 52.047 52.037 0.016 0.000 0.836 473 A CB 0.000 19.014 19.000 0.023 0.000 0.831 473 A HN 0.000 nan 8.150 nan 0.000 0.486