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 2v4d_1_L DATA FIRST_RESID 13 DATA SEQUENCE PEVGIVTLEA QTVTLNTELP GRTNAFRIAE VRPQVNGIIL KRLFKEGSDV DATA SEQUENCE KAGQQLYQID PATYEADYQS AQANLASTQE QAQRYKLLVA DQAVSKQQYA DATA SEQUENCE DANAAYLQSK AAVEQARINL RYTKVLSPIS GRIGRSAVTE GALVTNGQAN DATA SEQUENCE AMATVQQLDP IYVDVTQPST ALLRLRRELA SGQLERAGDN AAKVSLKLED DATA SEQUENCE GSQYPLEGRL EFSEVSVDEG TGSVTIRAVF PNPNNELLPG MFVHAQLQEG DATA SEQUENCE VKQKAILAPQ QGVTRDLKGQ ATALVVNAQN KVELRVIKAD RVIGDKWLVT DATA SEQUENCE EGLNAGDKII TEGLQFVQPG VEVKTVP 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.300 177.300 0.000 0.000 1.155 13 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 13 P CB 0.000 31.700 31.700 -0.000 0.000 0.726 14 E N 0.025 120.225 120.200 0.000 0.000 2.367 14 E HA 0.884 5.234 4.350 -0.000 0.000 0.273 14 E C -1.040 175.560 176.600 0.000 0.000 0.903 14 E CA -0.179 56.221 56.400 0.000 0.000 0.764 14 E CB 2.255 31.955 29.700 0.000 0.000 1.252 14 E HN 1.007 nan 8.360 nan 0.000 0.446 15 V N -0.912 119.002 119.914 0.000 0.000 3.167 15 V HA 0.943 5.063 4.120 -0.000 0.000 0.310 15 V C 0.549 176.643 176.094 0.000 0.000 1.207 15 V CA -0.427 61.873 62.300 0.000 0.000 1.059 15 V CB 2.433 34.256 31.823 0.000 0.000 1.079 15 V HN 1.212 nan 8.190 nan 0.000 0.446 16 G N 0.420 109.220 108.800 0.000 0.000 3.428 16 G HA2 0.735 4.695 3.960 -0.000 0.000 0.344 16 G HA3 0.735 4.695 3.960 -0.000 0.000 0.344 16 G C -0.318 174.582 174.900 0.000 0.000 1.256 16 G CA 0.542 45.642 45.100 0.000 0.000 1.209 16 G HN 1.898 nan 8.290 nan 0.000 0.470 17 I N 0.163 120.733 120.570 0.000 0.000 2.764 17 I HA 0.848 5.018 4.170 -0.000 0.000 0.294 17 I C 0.381 176.498 176.117 0.000 0.000 1.045 17 I CA -0.926 60.374 61.300 0.000 0.000 1.340 17 I CB 0.855 38.855 38.000 0.000 0.000 1.436 17 I HN 0.871 nan 8.210 nan 0.000 0.567 18 V N 3.128 123.042 119.914 0.000 0.000 2.531 18 V HA 0.840 4.960 4.120 -0.000 0.000 0.301 18 V C 0.593 176.687 176.094 0.001 0.000 1.034 18 V CA -0.374 61.926 62.300 0.000 0.000 0.865 18 V CB 1.149 32.972 31.823 0.001 0.000 0.995 18 V HN 1.765 nan 8.190 nan 0.000 0.424 19 T N 3.263 117.817 114.554 0.001 0.000 2.751 19 T HA 0.715 5.065 4.350 -0.000 0.000 0.290 19 T C 0.104 174.805 174.700 0.001 0.000 0.919 19 T CA 0.561 62.661 62.100 0.001 0.000 1.136 19 T CB -0.385 68.483 68.868 0.001 0.000 0.875 19 T HN 2.315 nan 8.240 nan 0.000 0.532 20 L N 1.874 123.098 121.223 0.001 0.000 2.360 20 L HA 0.849 5.189 4.340 -0.000 0.000 0.276 20 L C 0.418 177.288 176.870 0.001 0.000 1.121 20 L CA -0.328 54.513 54.840 0.001 0.000 0.845 20 L CB -0.781 41.279 42.059 0.001 0.000 1.143 20 L HN 1.244 nan 8.230 nan 0.000 0.452 21 E N 2.656 122.857 120.200 0.001 0.000 2.314 21 E HA 0.803 5.153 4.350 -0.000 0.000 0.272 21 E C 0.007 176.608 176.600 0.001 0.000 0.884 21 E CA -0.510 55.891 56.400 0.001 0.000 0.753 21 E CB 1.529 31.229 29.700 0.001 0.000 1.213 21 E HN 2.518 nan 8.360 nan 0.000 0.432 22 A N 0.884 123.704 122.820 0.001 0.000 2.522 22 A HA 0.585 4.905 4.320 -0.000 0.000 0.256 22 A C 0.578 178.163 177.584 0.002 0.000 1.086 22 A CA 0.884 52.922 52.037 0.002 0.000 0.763 22 A CB -0.598 18.402 19.000 0.002 0.000 1.024 22 A HN 1.530 nan 8.150 nan 0.000 0.502 23 Q N 0.645 120.446 119.800 0.002 0.000 2.416 23 Q HA 0.758 5.098 4.340 -0.000 0.000 0.279 23 Q C -0.067 175.935 176.000 0.003 0.000 1.101 23 Q CA -0.203 55.601 55.803 0.003 0.000 0.830 23 Q CB 1.150 29.889 28.738 0.003 0.000 1.402 23 Q HN 1.893 nan 8.270 nan 0.000 0.445 24 T N 0.214 114.770 114.554 0.004 0.000 2.853 24 T HA 0.694 5.044 4.350 -0.000 0.000 0.317 24 T C -0.069 174.634 174.700 0.005 0.000 1.059 24 T CA 0.202 62.305 62.100 0.004 0.000 0.954 24 T CB -0.463 68.408 68.868 0.004 0.000 0.994 24 T HN 1.824 nan 8.240 nan 0.000 0.479 25 V N 1.956 121.874 119.914 0.006 0.000 2.513 25 V HA 1.016 5.136 4.120 -0.000 0.000 0.299 25 V C 0.523 176.622 176.094 0.008 0.000 1.035 25 V CA -0.600 61.704 62.300 0.007 0.000 0.889 25 V CB 1.189 33.016 31.823 0.006 0.000 0.988 25 V HN 1.131 nan 8.190 nan 0.000 0.440 26 T N 2.569 117.129 114.554 0.010 0.000 2.837 26 T HA 0.816 5.166 4.350 -0.000 0.000 0.285 26 T C -0.182 174.527 174.700 0.015 0.000 0.984 26 T CA 0.216 62.324 62.100 0.013 0.000 1.049 26 T CB 0.636 69.512 68.868 0.013 0.000 0.947 26 T HN 2.307 nan 8.240 nan 0.000 0.472 27 L N 1.662 122.896 121.223 0.018 0.000 2.270 27 L HA 0.826 5.166 4.340 -0.000 0.000 0.286 27 L C 0.294 177.181 176.870 0.028 0.000 1.059 27 L CA -0.467 54.385 54.840 0.021 0.000 0.839 27 L CB -0.858 41.212 42.059 0.019 0.000 1.221 27 L HN 1.278 nan 8.230 nan 0.000 0.431 28 N N 1.290 120.008 118.700 0.029 0.000 2.249 28 N HA 0.806 5.546 4.740 -0.000 0.000 0.296 28 N C -0.153 175.380 175.510 0.039 0.000 1.051 28 N CA 0.108 53.180 53.050 0.037 0.000 0.815 28 N CB 1.672 40.179 38.487 0.033 0.000 1.487 28 N HN 0.710 nan 8.380 nan 0.000 0.475 29 T N 0.706 115.291 114.554 0.052 0.000 2.863 29 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 29 T C -0.877 173.865 174.700 0.069 0.000 1.009 29 T CA -0.465 61.669 62.100 0.056 0.000 0.989 29 T CB 1.125 70.032 68.868 0.065 0.000 1.004 29 T HN 0.576 nan 8.240 nan 0.000 0.455 30 E N 2.381 122.621 120.200 0.067 0.000 2.129 30 E HA 0.352 4.702 4.350 -0.000 0.000 0.268 30 E C -0.819 175.851 176.600 0.117 0.000 0.900 30 E CA -0.497 55.958 56.400 0.091 0.000 0.755 30 E CB 1.559 31.292 29.700 0.055 0.000 1.117 30 E HN 0.430 nan 8.360 nan 0.000 0.410 31 L N 5.980 127.283 121.223 0.133 0.000 2.264 31 L HA 0.343 4.683 4.340 -0.000 0.000 0.287 31 L C -2.040 174.901 176.870 0.119 0.000 1.039 31 L CA -2.043 52.866 54.840 0.114 0.000 0.829 31 L CB 0.699 42.814 42.059 0.093 0.000 1.211 31 L HN 0.217 nan 8.230 nan 0.000 0.427 32 P HA 0.316 nan 4.420 nan 0.000 0.272 32 P C -0.201 177.087 177.300 -0.019 0.000 1.223 32 P CA 0.103 63.203 63.100 -0.001 0.000 0.784 32 P CB 1.922 33.632 31.700 0.018 0.000 0.923 33 G N 1.256 110.021 108.800 -0.058 0.000 2.451 33 G HA2 0.468 4.428 3.960 -0.000 0.000 0.292 33 G HA3 0.468 4.428 3.960 -0.000 0.000 0.292 33 G C -1.679 173.246 174.900 0.042 0.000 1.427 33 G CA -0.840 44.266 45.100 0.010 0.000 0.792 33 G HN 0.434 nan 8.290 nan 0.000 0.498 34 R N -0.327 120.215 120.500 0.069 0.000 2.711 34 R HA 0.676 5.016 4.340 -0.000 0.000 0.284 34 R C 0.218 176.535 176.300 0.029 0.000 0.968 34 R CA -0.563 55.574 56.100 0.061 0.000 0.924 34 R CB 1.851 32.206 30.300 0.093 0.000 1.162 34 R HN 0.755 nan 8.270 nan 0.000 0.465 35 T N 0.067 114.610 114.554 -0.018 0.000 2.899 35 T HA 0.383 4.733 4.350 -0.000 0.000 0.295 35 T C -0.020 174.699 174.700 0.031 0.000 1.033 35 T CA -0.737 61.365 62.100 0.003 0.000 1.084 35 T CB 0.690 69.520 68.868 -0.064 0.000 0.979 35 T HN 0.392 nan 8.240 nan 0.000 0.532 36 N N -0.123 118.635 118.700 0.096 0.000 2.331 36 N HA 0.495 5.235 4.740 -0.000 0.000 0.280 36 N C -0.747 174.844 175.510 0.135 0.000 1.155 36 N CA -0.650 52.466 53.050 0.111 0.000 0.822 36 N CB 2.162 40.737 38.487 0.146 0.000 1.619 36 N HN 1.002 nan 8.380 nan 0.000 0.476 37 A N 0.838 123.710 122.820 0.088 0.000 2.561 37 A HA 0.030 4.350 4.320 -0.000 0.000 0.234 37 A C 0.936 178.581 177.584 0.101 0.000 1.055 37 A CA 0.113 52.194 52.037 0.074 0.000 0.756 37 A CB -0.212 18.815 19.000 0.044 0.000 0.986 37 A HN 0.682 nan 8.150 nan 0.000 0.505 38 F N 1.290 121.134 119.950 -0.176 0.000 2.186 38 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 38 F C 1.281 176.994 175.800 -0.144 0.000 1.090 38 F CA 2.012 59.776 58.000 -0.394 0.000 1.307 38 F CB 0.053 38.813 39.000 -0.399 0.000 1.019 38 F HN 0.653 nan 8.300 nan 0.000 0.489 39 R N -0.105 120.379 120.500 -0.027 0.000 2.594 39 R HA 0.495 4.835 4.340 -0.000 0.000 0.265 39 R C -1.937 174.357 176.300 -0.009 0.000 1.070 39 R CA -0.544 55.518 56.100 -0.064 0.000 0.909 39 R CB 1.462 31.718 30.300 -0.073 0.000 1.243 39 R HN 0.024 nan 8.270 nan 0.000 0.455 40 I N 2.310 122.872 120.570 -0.015 0.000 2.608 40 I HA 0.709 4.879 4.170 -0.000 0.000 0.295 40 I C -0.619 175.490 176.117 -0.013 0.000 1.049 40 I CA -0.898 60.397 61.300 -0.008 0.000 1.063 40 I CB 2.218 40.217 38.000 -0.002 0.000 1.248 40 I HN 0.757 nan 8.210 nan 0.000 0.424 41 A N 4.532 127.344 122.820 -0.014 0.000 2.556 41 A HA 0.774 5.094 4.320 -0.000 0.000 0.294 41 A C -1.247 176.329 177.584 -0.014 0.000 1.091 41 A CA -0.591 51.437 52.037 -0.015 0.000 0.704 41 A CB 1.900 20.890 19.000 -0.018 0.000 1.300 41 A HN 0.720 nan 8.150 nan 0.000 0.406 42 E N -0.079 120.115 120.200 -0.010 0.000 2.207 42 E HA 0.565 4.915 4.350 -0.000 0.000 0.270 42 E C -1.253 175.347 176.600 -0.001 0.000 0.927 42 E CA -0.818 55.579 56.400 -0.005 0.000 0.799 42 E CB 2.297 31.995 29.700 -0.004 0.000 1.172 42 E HN 0.406 nan 8.360 nan 0.000 0.404 43 V N 2.933 122.853 119.914 0.011 0.000 2.398 43 V HA 0.530 4.650 4.120 -0.000 0.000 0.286 43 V C -0.099 176.002 176.094 0.012 0.000 1.026 43 V CA -0.611 61.708 62.300 0.031 0.000 0.868 43 V CB 1.014 32.887 31.823 0.084 0.000 0.982 43 V HN 0.609 nan 8.190 nan 0.000 0.443 44 R N 4.564 125.060 120.500 -0.006 0.000 2.740 44 R HA 0.576 4.916 4.340 -0.000 0.000 0.273 44 R C -2.898 173.364 176.300 -0.064 0.000 0.998 44 R CA -1.588 54.486 56.100 -0.045 0.000 0.900 44 R CB 2.932 33.205 30.300 -0.046 0.000 1.223 44 R HN 0.503 nan 8.270 nan 0.000 0.466 45 P HA 0.159 nan 4.420 nan 0.000 0.281 45 P C -0.941 176.257 177.300 -0.170 0.000 1.249 45 P CA -0.327 62.707 63.100 -0.110 0.000 0.810 45 P CB 1.218 32.853 31.700 -0.108 0.000 1.008 46 Q N 0.034 119.674 119.800 -0.266 0.000 2.118 46 Q HA 0.273 4.613 4.340 -0.000 0.000 0.219 46 Q C 0.070 175.809 176.000 -0.436 0.000 0.794 46 Q CA -0.205 55.305 55.803 -0.489 0.000 1.035 46 Q CB 1.068 29.164 28.738 -1.069 0.000 1.177 46 Q HN 0.401 nan 8.270 nan 0.000 0.478 47 V N -2.979 116.795 119.914 -0.234 0.000 3.147 47 V HA 0.575 4.695 4.120 -0.000 0.000 0.306 47 V C -1.116 174.976 176.094 -0.004 0.000 1.209 47 V CA -1.304 60.914 62.300 -0.137 0.000 1.023 47 V CB 2.075 33.734 31.823 -0.273 0.000 1.059 47 V HN -0.019 nan 8.190 nan 0.000 0.435 48 N N 1.067 119.841 118.700 0.123 0.000 2.524 48 N HA 0.860 5.600 4.740 -0.000 0.000 0.283 48 N C 0.207 175.829 175.510 0.187 0.000 1.142 48 N CA 0.754 53.872 53.050 0.113 0.000 0.984 48 N CB 1.751 40.290 38.487 0.088 0.000 1.155 48 N HN 1.461 nan 8.380 nan 0.000 0.467 49 G N 0.000 108.860 108.800 0.100 0.000 2.317 49 G HA2 0.225 4.185 3.960 -0.000 0.000 0.293 49 G HA3 0.225 4.185 3.960 -0.000 0.000 0.293 49 G C -1.796 173.134 174.900 0.049 0.000 1.287 49 G CA -0.618 44.541 45.100 0.100 0.000 0.850 49 G HN 0.310 nan 8.290 nan 0.000 0.515 50 I N 1.219 121.818 120.570 0.049 0.000 2.412 50 I HA 0.382 4.552 4.170 -0.000 0.000 0.296 50 I C 0.273 176.415 176.117 0.042 0.000 0.987 50 I CA -1.014 60.305 61.300 0.031 0.000 1.180 50 I CB 1.517 39.531 38.000 0.024 0.000 1.340 50 I HN 0.300 nan 8.210 nan 0.000 0.455 51 I N 6.770 127.359 120.570 0.032 0.000 2.581 51 I HA 0.005 4.175 4.170 -0.000 0.000 0.285 51 I C 1.300 177.459 176.117 0.070 0.000 1.129 51 I CA 0.391 61.726 61.300 0.057 0.000 1.397 51 I CB 0.555 38.590 38.000 0.057 0.000 1.399 51 I HN 0.528 nan 8.210 nan 0.000 0.537 52 L N 6.093 127.366 121.223 0.084 0.000 2.062 52 L HA 0.050 4.390 4.340 -0.000 0.000 0.202 52 L C 0.923 177.834 176.870 0.069 0.000 1.079 52 L CA 1.049 55.929 54.840 0.066 0.000 0.755 52 L CB 0.039 42.136 42.059 0.063 0.000 0.913 52 L HN 0.544 nan 8.230 nan 0.000 0.445 53 K N -0.377 120.077 120.400 0.090 0.000 2.385 53 K HA 0.358 4.678 4.320 -0.000 0.000 0.248 53 K C -0.585 176.078 176.600 0.106 0.000 0.955 53 K CA -0.675 55.653 56.287 0.069 0.000 0.816 53 K CB 2.495 35.018 32.500 0.039 0.000 1.250 53 K HN -0.122 nan 8.250 nan 0.000 0.434 54 R N 3.178 123.687 120.500 0.015 0.000 2.664 54 R HA 0.141 4.481 4.340 -0.000 0.000 0.281 54 R C -0.593 175.556 176.300 -0.253 0.000 1.383 54 R CA -0.505 55.516 56.100 -0.132 0.000 1.563 54 R CB -0.117 30.072 30.300 -0.184 0.000 1.131 54 R HN 0.415 nan 8.270 nan 0.000 0.599 55 L N 3.708 124.863 121.223 -0.112 0.000 2.858 55 L HA 0.264 4.604 4.340 -0.000 0.000 0.243 55 L C -0.400 176.487 176.870 0.029 0.000 1.416 55 L CA 0.174 54.981 54.840 -0.055 0.000 1.182 55 L CB -1.564 40.496 42.059 0.002 0.000 1.564 55 L HN 0.312 nan 8.230 nan 0.000 0.436 56 F N -2.377 117.479 119.950 -0.156 0.000 2.665 56 F HA 0.588 5.115 4.527 -0.000 0.000 0.308 56 F C -0.434 175.307 175.800 -0.097 0.000 1.112 56 F CA -1.613 56.311 58.000 -0.128 0.000 0.972 56 F CB 1.323 40.225 39.000 -0.162 0.000 1.295 56 F HN -0.085 nan 8.300 nan 0.000 0.440 57 K N 2.854 123.304 120.400 0.084 0.000 2.276 57 K HA 0.200 4.520 4.320 -0.000 0.000 0.285 57 K C -0.425 176.240 176.600 0.108 0.000 1.062 57 K CA -0.262 56.021 56.287 -0.006 0.000 0.918 57 K CB 0.645 33.156 32.500 0.019 0.000 1.055 57 K HN 0.828 nan 8.250 nan 0.000 0.477 58 E N 2.347 122.541 120.200 -0.011 0.000 2.558 58 E HA -0.043 4.307 4.350 -0.000 0.000 0.255 58 E C 0.713 177.375 176.600 0.104 0.000 0.968 58 E CA 0.945 57.414 56.400 0.116 0.000 0.939 58 E CB 0.296 30.015 29.700 0.031 0.000 0.921 58 E HN 0.982 nan 8.360 nan 0.000 0.477 59 G N 2.665 111.542 108.800 0.129 0.000 2.175 59 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 59 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 59 G C 0.461 175.397 174.900 0.060 0.000 0.982 59 G CA 0.346 45.489 45.100 0.071 0.000 0.641 59 G HN 0.657 nan 8.290 nan 0.000 0.527 60 S N -0.587 115.166 115.700 0.088 0.000 2.607 60 S HA 0.662 5.132 4.470 -0.000 0.000 0.272 60 S C -0.436 174.181 174.600 0.028 0.000 1.166 60 S CA -0.279 57.956 58.200 0.059 0.000 1.021 60 S CB 1.636 64.883 63.200 0.080 0.000 1.113 60 S HN 0.116 nan 8.310 nan 0.000 0.531 61 D N 0.902 121.310 120.400 0.014 0.000 2.408 61 D HA 0.523 5.163 4.640 -0.000 0.000 0.243 61 D C -0.517 175.773 176.300 -0.017 0.000 1.075 61 D CA -0.288 53.707 54.000 -0.008 0.000 0.832 61 D CB 1.856 42.652 40.800 -0.007 0.000 1.162 61 D HN 0.567 nan 8.370 nan 0.000 0.515 62 V N -0.413 119.475 119.914 -0.044 0.000 2.815 62 V HA 0.603 4.723 4.120 -0.000 0.000 0.314 62 V C -0.130 175.936 176.094 -0.046 0.000 1.064 62 V CA -0.924 61.342 62.300 -0.057 0.000 0.952 62 V CB 2.260 34.011 31.823 -0.120 0.000 1.020 62 V HN 0.217 nan 8.190 nan 0.000 0.439 63 K N 2.114 122.492 120.400 -0.037 0.000 2.130 63 K HA 0.747 5.067 4.320 -0.000 0.000 0.268 63 K C 0.110 176.691 176.600 -0.031 0.000 0.983 63 K CA -0.282 55.989 56.287 -0.028 0.000 0.893 63 K CB 1.880 34.369 32.500 -0.019 0.000 1.066 63 K HN 1.090 nan 8.250 nan 0.000 0.450 64 A N 1.355 124.161 122.820 -0.024 0.000 2.548 64 A HA 0.359 4.679 4.320 -0.000 0.000 0.247 64 A C 1.169 178.740 177.584 -0.020 0.000 1.067 64 A CA 1.091 53.114 52.037 -0.023 0.000 0.757 64 A CB -0.725 18.266 19.000 -0.014 0.000 0.996 64 A HN 0.966 nan 8.150 nan 0.000 0.504 65 G N 0.862 109.650 108.800 -0.021 0.000 2.195 65 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 65 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 65 G C 0.359 175.248 174.900 -0.018 0.000 0.990 65 G CA 0.339 45.428 45.100 -0.019 0.000 0.639 65 G HN 1.054 nan 8.290 nan 0.000 0.514 66 Q N 0.841 120.627 119.800 -0.024 0.000 2.304 66 Q HA 0.394 4.734 4.340 -0.000 0.000 0.260 66 Q C 0.625 176.615 176.000 -0.016 0.000 0.965 66 Q CA -0.237 55.553 55.803 -0.021 0.000 0.898 66 Q CB 0.438 29.157 28.738 -0.032 0.000 1.196 66 Q HN 0.532 nan 8.270 nan 0.000 0.402 67 Q N 3.913 123.714 119.800 0.001 0.000 2.274 67 Q HA -0.010 4.330 4.340 -0.000 0.000 0.280 67 Q C -0.161 175.851 176.000 0.021 0.000 1.047 67 Q CA 0.225 56.041 55.803 0.022 0.000 0.907 67 Q CB 0.560 29.316 28.738 0.029 0.000 1.171 67 Q HN 0.820 nan 8.270 nan 0.000 0.381 68 L N 3.584 124.825 121.223 0.030 0.000 2.425 68 L HA 0.220 4.560 4.340 -0.000 0.000 0.215 68 L C -0.175 176.632 176.870 -0.104 0.000 1.065 68 L CA 0.134 54.952 54.840 -0.038 0.000 0.842 68 L CB 0.250 42.201 42.059 -0.179 0.000 1.033 68 L HN 0.664 nan 8.230 nan 0.000 0.474 69 Y N -0.932 119.456 120.300 0.147 0.000 2.638 69 Y HA 0.520 5.070 4.550 -0.000 0.000 0.339 69 Y C -0.495 175.452 175.900 0.079 0.000 1.084 69 Y CA -1.055 57.120 58.100 0.125 0.000 1.068 69 Y CB 1.637 40.168 38.460 0.118 0.000 1.294 69 Y HN -0.209 nan 8.280 nan 0.000 0.480 70 Q N 1.659 121.617 119.800 0.263 0.000 2.295 70 Q HA 0.510 4.850 4.340 -0.000 0.000 0.259 70 Q C -1.996 174.086 176.000 0.136 0.000 0.966 70 Q CA -0.103 55.792 55.803 0.154 0.000 0.763 70 Q CB 1.022 29.824 28.738 0.107 0.000 1.283 70 Q HN 0.642 nan 8.270 nan 0.000 0.445 71 I N 2.625 123.266 120.570 0.118 0.000 2.428 71 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 71 I C 0.231 176.421 176.117 0.123 0.000 1.019 71 I CA -0.670 60.696 61.300 0.110 0.000 1.351 71 I CB 0.973 39.038 38.000 0.108 0.000 1.412 71 I HN 0.691 nan 8.210 nan 0.000 0.513 72 D N 9.315 129.779 120.400 0.107 0.000 2.479 72 D HA -0.032 4.608 4.640 -0.000 0.000 0.257 72 D C -1.443 174.942 176.300 0.141 0.000 1.230 72 D CA -1.179 52.878 54.000 0.095 0.000 0.912 72 D CB 0.875 41.711 40.800 0.060 0.000 1.130 72 D HN 0.300 nan 8.370 nan 0.000 0.515 73 P HA 0.083 nan 4.420 nan 0.000 0.255 73 P C 0.945 178.324 177.300 0.131 0.000 1.248 73 P CA 0.018 63.232 63.100 0.190 0.000 0.807 73 P CB 0.379 32.160 31.700 0.134 0.000 1.150 74 A N 1.437 124.295 122.820 0.063 0.000 1.881 74 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 74 A C 2.218 179.806 177.584 0.005 0.000 1.215 74 A CA 3.020 55.074 52.037 0.028 0.000 0.648 74 A CB -1.878 17.124 19.000 0.004 0.000 0.832 74 A HN 0.290 nan 8.150 nan 0.000 0.455 75 T N -1.936 112.573 114.554 -0.074 0.000 2.896 75 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 75 T C 1.778 176.433 174.700 -0.074 0.000 1.050 75 T CA 1.383 63.411 62.100 -0.120 0.000 1.140 75 T CB -0.425 68.300 68.868 -0.238 0.000 0.877 75 T HN 0.458 nan 8.240 nan 0.000 0.457 76 Y N 1.897 122.224 120.300 0.044 0.000 2.145 76 Y HA -0.067 4.483 4.550 -0.000 0.000 0.286 76 Y C 2.708 178.658 175.900 0.083 0.000 1.145 76 Y CA 1.040 59.173 58.100 0.054 0.000 1.148 76 Y CB -0.701 37.782 38.460 0.037 0.000 0.981 76 Y HN 0.195 nan 8.280 nan 0.000 0.507 77 E N 0.475 120.814 120.200 0.232 0.000 2.160 77 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 77 E C 2.149 178.859 176.600 0.185 0.000 0.991 77 E CA 1.389 57.906 56.400 0.194 0.000 0.810 77 E CB -0.400 29.381 29.700 0.135 0.000 0.742 77 E HN 0.333 nan 8.360 nan 0.000 0.466 78 A N 0.766 123.658 122.820 0.119 0.000 1.872 78 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 78 A C 1.941 179.575 177.584 0.083 0.000 1.187 78 A CA 1.642 53.724 52.037 0.076 0.000 0.614 78 A CB -0.660 18.358 19.000 0.031 0.000 0.826 78 A HN 0.284 nan 8.150 nan 0.000 0.442 79 D N -1.434 119.027 120.400 0.101 0.000 2.144 79 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 79 D C 1.663 178.050 176.300 0.145 0.000 0.984 79 D CA 1.577 55.639 54.000 0.103 0.000 0.834 79 D CB -0.466 40.405 40.800 0.118 0.000 0.955 79 D HN 0.576 nan 8.370 nan 0.000 0.465 80 Y N 1.875 122.212 120.300 0.061 0.000 2.145 80 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 80 Y C 2.235 178.153 175.900 0.030 0.000 1.145 80 Y CA 1.546 59.674 58.100 0.047 0.000 1.148 80 Y CB -0.245 38.246 38.460 0.053 0.000 0.981 80 Y HN -0.143 nan 8.280 nan 0.000 0.507 81 Q N -0.340 119.431 119.800 -0.049 0.000 2.124 81 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 81 Q C 2.615 178.533 176.000 -0.136 0.000 0.977 81 Q CA 1.519 57.225 55.803 -0.163 0.000 0.850 81 Q CB -0.880 27.842 28.738 -0.027 0.000 0.901 81 Q HN 0.497 nan 8.270 nan 0.000 0.429 82 S N 0.484 116.149 115.700 -0.058 0.000 2.348 82 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 82 S C 1.992 176.553 174.600 -0.065 0.000 1.033 82 S CA 1.404 59.578 58.200 -0.043 0.000 1.010 82 S CB -0.203 62.992 63.200 -0.008 0.000 0.891 82 S HN 0.420 nan 8.310 nan 0.000 0.442 83 A N 1.172 123.955 122.820 -0.062 0.000 1.869 83 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 83 A C 2.155 179.671 177.584 -0.114 0.000 1.203 83 A CA 2.142 54.141 52.037 -0.062 0.000 0.638 83 A CB -1.246 17.743 19.000 -0.018 0.000 0.831 83 A HN 0.748 nan 8.150 nan 0.000 0.450 84 Q N -0.884 118.779 119.800 -0.227 0.000 2.152 84 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 84 Q C 2.425 178.350 176.000 -0.125 0.000 0.985 84 Q CA 1.488 57.157 55.803 -0.224 0.000 0.863 84 Q CB -0.462 28.044 28.738 -0.387 0.000 0.904 84 Q HN 0.729 nan 8.270 nan 0.000 0.422 85 A N 1.457 124.211 122.820 -0.109 0.000 1.858 85 A HA -0.291 4.029 4.320 -0.000 0.000 0.216 85 A C 1.826 179.383 177.584 -0.045 0.000 1.190 85 A CA 1.872 53.870 52.037 -0.065 0.000 0.617 85 A CB -0.909 18.059 19.000 -0.054 0.000 0.827 85 A HN 0.465 nan 8.150 nan 0.000 0.443 86 N N -0.204 118.470 118.700 -0.044 0.000 2.018 86 N HA -0.195 4.545 4.740 -0.000 0.000 0.196 86 N C 1.619 177.119 175.510 -0.016 0.000 1.043 86 N CA 1.964 54.997 53.050 -0.028 0.000 0.856 86 N CB -0.416 38.053 38.487 -0.029 0.000 1.042 86 N HN 0.325 nan 8.380 nan 0.000 0.423 87 L N 0.742 121.953 121.223 -0.021 0.000 1.971 87 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 87 L C 2.233 179.131 176.870 0.047 0.000 1.072 87 L CA 2.425 57.271 54.840 0.010 0.000 0.758 87 L CB -1.525 40.524 42.059 -0.016 0.000 0.889 87 L HN 0.295 nan 8.230 nan 0.000 0.433 88 A N -1.218 121.610 122.820 0.013 0.000 1.971 88 A HA -0.324 3.996 4.320 -0.000 0.000 0.222 88 A C 2.516 180.108 177.584 0.013 0.000 1.182 88 A CA 2.572 54.618 52.037 0.014 0.000 0.649 88 A CB -1.343 17.651 19.000 -0.011 0.000 0.818 88 A HN 0.689 nan 8.150 nan 0.000 0.458 89 S N -0.771 114.930 115.700 0.003 0.000 2.343 89 S HA -0.182 4.288 4.470 -0.000 0.000 0.212 89 S C 2.339 176.935 174.600 -0.007 0.000 1.033 89 S CA 2.820 61.014 58.200 -0.009 0.000 1.004 89 S CB -1.122 62.068 63.200 -0.016 0.000 0.977 89 S HN 0.889 nan 8.310 nan 0.000 0.427 90 T N 0.267 114.829 114.554 0.013 0.000 2.653 90 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 90 T C 2.017 176.750 174.700 0.055 0.000 1.035 90 T CA 2.038 64.154 62.100 0.027 0.000 1.154 90 T CB -1.140 67.770 68.868 0.070 0.000 0.862 90 T HN 0.650 nan 8.240 nan 0.000 0.441 91 Q N 0.875 120.766 119.800 0.150 0.000 2.014 91 Q HA -0.265 4.075 4.340 -0.000 0.000 0.207 91 Q C 2.539 178.465 176.000 -0.124 0.000 0.993 91 Q CA 2.128 57.944 55.803 0.022 0.000 0.850 91 Q CB -0.291 28.529 28.738 0.137 0.000 0.916 91 Q HN 0.631 nan 8.270 nan 0.000 0.417 92 E N 0.345 120.510 120.200 -0.058 0.000 2.033 92 E HA -0.308 4.042 4.350 -0.000 0.000 0.199 92 E C 1.975 178.524 176.600 -0.086 0.000 1.011 92 E CA 2.054 58.417 56.400 -0.062 0.000 0.815 92 E CB -0.333 29.345 29.700 -0.036 0.000 0.755 92 E HN 0.458 nan 8.360 nan 0.000 0.451 93 Q N 0.665 120.398 119.800 -0.111 0.000 2.118 93 Q HA -0.225 4.115 4.340 -0.000 0.000 0.211 93 Q C 1.927 177.779 176.000 -0.246 0.000 0.998 93 Q CA 2.962 58.639 55.803 -0.211 0.000 0.872 93 Q CB -0.755 27.838 28.738 -0.242 0.000 0.925 93 Q HN 0.311 nan 8.270 nan 0.000 0.414 94 A N 0.062 122.775 122.820 -0.179 0.000 1.835 94 A HA -0.269 4.051 4.320 -0.000 0.000 0.215 94 A C 2.058 179.662 177.584 0.033 0.000 1.199 94 A CA 1.801 53.777 52.037 -0.102 0.000 0.615 94 A CB -0.962 17.907 19.000 -0.218 0.000 0.838 94 A HN 0.619 nan 8.150 nan 0.000 0.444 95 Q N -1.015 118.742 119.800 -0.071 0.000 2.197 95 Q HA -0.294 4.046 4.340 -0.000 0.000 0.211 95 Q C 2.333 178.359 176.000 0.044 0.000 0.993 95 Q CA 2.164 57.952 55.803 -0.024 0.000 0.883 95 Q CB -0.256 28.438 28.738 -0.073 0.000 0.916 95 Q HN 0.675 nan 8.270 nan 0.000 0.418 96 R N -0.532 120.003 120.500 0.058 0.000 2.055 96 R HA -0.152 4.188 4.340 -0.000 0.000 0.228 96 R C 1.899 178.340 176.300 0.234 0.000 1.143 96 R CA 1.219 57.386 56.100 0.112 0.000 0.945 96 R CB -0.190 30.172 30.300 0.104 0.000 0.841 96 R HN 0.228 nan 8.270 nan 0.000 0.429 97 Y N 1.383 121.731 120.300 0.081 0.000 2.298 97 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 97 Y C 2.157 178.112 175.900 0.092 0.000 1.164 97 Y CA 1.173 59.358 58.100 0.142 0.000 1.229 97 Y CB -0.346 38.264 38.460 0.250 0.000 0.977 97 Y HN 0.124 nan 8.280 nan 0.000 0.538 98 K N -0.016 120.506 120.400 0.203 0.000 2.283 98 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 98 K C 1.446 177.921 176.600 -0.209 0.000 1.048 98 K CA 0.754 56.890 56.287 -0.252 0.000 0.948 98 K CB -0.138 32.322 32.500 -0.067 0.000 0.742 98 K HN 0.324 nan 8.250 nan 0.000 0.458 99 L N 0.405 121.589 121.223 -0.065 0.000 2.554 99 L HA 0.054 4.394 4.340 -0.000 0.000 0.225 99 L C 1.753 178.584 176.870 -0.064 0.000 1.104 99 L CA -0.003 54.798 54.840 -0.065 0.000 0.866 99 L CB 0.058 42.102 42.059 -0.025 0.000 1.047 99 L HN 0.133 nan 8.230 nan 0.000 0.468 100 L N -0.308 120.879 121.223 -0.060 0.000 2.162 100 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 100 L C 2.566 179.367 176.870 -0.116 0.000 1.086 100 L CA 0.668 55.458 54.840 -0.084 0.000 0.778 100 L CB -0.324 41.665 42.059 -0.117 0.000 0.928 100 L HN 0.184 nan 8.230 nan 0.000 0.446 101 V N -2.239 117.587 119.914 -0.147 0.000 2.427 101 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 101 V C 2.679 178.699 176.094 -0.124 0.000 1.051 101 V CA 1.331 63.548 62.300 -0.139 0.000 1.048 101 V CB -1.388 30.326 31.823 -0.182 0.000 0.666 101 V HN 0.300 nan 8.190 nan 0.000 0.456 102 A N 0.258 122.994 122.820 -0.140 0.000 2.084 102 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 102 A C 1.583 179.123 177.584 -0.073 0.000 1.161 102 A CA 2.101 54.075 52.037 -0.106 0.000 0.653 102 A CB -0.539 18.400 19.000 -0.102 0.000 0.802 102 A HN 0.653 nan 8.150 nan 0.000 0.457 103 D N -1.038 119.320 120.400 -0.070 0.000 2.623 103 D HA 0.173 4.813 4.640 -0.000 0.000 0.252 103 D C 0.060 176.329 176.300 -0.053 0.000 1.294 103 D CA 0.003 53.971 54.000 -0.053 0.000 0.824 103 D CB 0.422 41.196 40.800 -0.044 0.000 1.070 103 D HN 0.302 nan 8.370 nan 0.000 0.487 104 Q N -0.802 118.962 119.800 -0.059 0.000 2.264 104 Q HA -0.297 4.043 4.340 -0.000 0.000 0.207 104 Q C 1.423 177.385 176.000 -0.062 0.000 0.702 104 Q CA 1.172 56.942 55.803 -0.054 0.000 1.411 104 Q CB -2.114 26.600 28.738 -0.040 0.000 1.717 104 Q HN 0.458 nan 8.270 nan 0.000 0.683 105 A N 0.113 122.890 122.820 -0.071 0.000 2.131 105 A HA 0.153 4.473 4.320 -0.000 0.000 0.220 105 A C 1.108 178.623 177.584 -0.115 0.000 1.158 105 A CA 1.498 53.488 52.037 -0.079 0.000 0.665 105 A CB 0.302 19.258 19.000 -0.073 0.000 0.795 105 A HN 0.347 nan 8.150 nan 0.000 0.460 106 V N -0.369 119.463 119.914 -0.136 0.000 2.969 106 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 106 V C 0.022 176.048 176.094 -0.114 0.000 1.192 106 V CA -0.290 61.901 62.300 -0.183 0.000 0.962 106 V CB 2.130 33.725 31.823 -0.380 0.000 1.045 106 V HN 0.601 nan 8.190 nan 0.000 0.428 107 S N 4.888 120.539 115.700 -0.080 0.000 2.573 107 S HA 0.216 4.686 4.470 -0.000 0.000 0.277 107 S C 0.895 175.505 174.600 0.016 0.000 1.346 107 S CA 0.202 58.386 58.200 -0.027 0.000 1.034 107 S CB 0.763 63.956 63.200 -0.012 0.000 0.879 107 S HN 0.838 nan 8.310 nan 0.000 0.528 108 K N 0.479 120.903 120.400 0.039 0.000 2.147 108 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 108 K C 2.298 178.969 176.600 0.118 0.000 1.049 108 K CA 1.406 57.751 56.287 0.098 0.000 0.936 108 K CB -0.236 32.308 32.500 0.073 0.000 0.722 108 K HN 0.684 nan 8.250 nan 0.000 0.446 109 Q N 1.661 121.503 119.800 0.070 0.000 2.020 109 Q HA -0.203 4.138 4.340 -0.000 0.000 0.202 109 Q C 1.845 177.892 176.000 0.078 0.000 0.982 109 Q CA 1.819 57.658 55.803 0.060 0.000 0.838 109 Q CB -0.151 28.611 28.738 0.039 0.000 0.899 109 Q HN 0.307 nan 8.270 nan 0.000 0.423 110 Q N -1.265 118.585 119.800 0.082 0.000 2.030 110 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 110 Q C 1.963 178.109 176.000 0.244 0.000 0.986 110 Q CA 1.783 57.667 55.803 0.135 0.000 0.843 110 Q CB -0.488 28.266 28.738 0.028 0.000 0.904 110 Q HN 0.540 nan 8.270 nan 0.000 0.420 111 Y N 0.893 121.267 120.300 0.123 0.000 2.256 111 Y HA -0.252 4.298 4.550 0.000 0.000 0.288 111 Y C 1.987 177.974 175.900 0.145 0.000 1.155 111 Y CA 1.090 59.307 58.100 0.195 0.000 1.203 111 Y CB -0.397 38.115 38.460 0.088 0.000 0.980 111 Y HN 0.108 nan 8.280 nan 0.000 0.530 112 A N 0.332 123.121 122.820 -0.051 0.000 1.832 112 A HA -0.176 4.144 4.320 -0.000 0.000 0.214 112 A C 2.072 179.583 177.584 -0.122 0.000 1.200 112 A CA 1.781 53.742 52.037 -0.127 0.000 0.610 112 A CB -1.017 17.986 19.000 0.005 0.000 0.842 112 A HN 0.510 nan 8.150 nan 0.000 0.444 113 D N 0.346 120.731 120.400 -0.026 0.000 2.149 113 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 113 D C 2.167 178.442 176.300 -0.042 0.000 1.001 113 D CA 1.649 55.642 54.000 -0.011 0.000 0.849 113 D CB -0.445 40.375 40.800 0.034 0.000 0.939 113 D HN 0.448 nan 8.370 nan 0.000 0.449 114 A N 1.643 124.431 122.820 -0.053 0.000 1.828 114 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 114 A C 2.023 179.523 177.584 -0.139 0.000 1.203 114 A CA 1.634 53.603 52.037 -0.113 0.000 0.614 114 A CB -0.958 17.982 19.000 -0.101 0.000 0.844 114 A HN 0.193 nan 8.150 nan 0.000 0.445 115 N N 0.505 119.023 118.700 -0.304 0.000 2.334 115 N HA -0.174 4.566 4.740 -0.000 0.000 0.187 115 N C 1.753 177.248 175.510 -0.025 0.000 1.016 115 N CA 1.449 54.384 53.050 -0.191 0.000 0.879 115 N CB -0.255 37.971 38.487 -0.434 0.000 0.965 115 N HN 0.435 nan 8.380 nan 0.000 0.438 116 A N 0.870 123.649 122.820 -0.069 0.000 1.841 116 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 116 A C 2.461 180.036 177.584 -0.016 0.000 1.195 116 A CA 1.903 53.921 52.037 -0.033 0.000 0.611 116 A CB -1.135 17.844 19.000 -0.036 0.000 0.835 116 A HN 0.390 nan 8.150 nan 0.000 0.443 117 A N -1.410 121.402 122.820 -0.012 0.000 1.908 117 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 117 A C 2.148 179.736 177.584 0.008 0.000 1.181 117 A CA 1.866 53.898 52.037 -0.010 0.000 0.627 117 A CB -0.954 18.037 19.000 -0.014 0.000 0.818 117 A HN 0.850 nan 8.150 nan 0.000 0.445 118 Y N 0.668 120.924 120.300 -0.075 0.000 2.151 118 Y HA -0.225 4.325 4.550 0.000 0.000 0.284 118 Y C 1.865 177.742 175.900 -0.040 0.000 1.166 118 Y CA 1.938 60.003 58.100 -0.059 0.000 1.163 118 Y CB -0.403 38.019 38.460 -0.064 0.000 0.974 118 Y HN 0.231 nan 8.280 nan 0.000 0.511 119 L N -0.140 120.937 121.223 -0.243 0.000 2.056 119 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 119 L C 2.605 179.339 176.870 -0.226 0.000 1.078 119 L CA 1.608 56.262 54.840 -0.310 0.000 0.749 119 L CB -0.714 41.280 42.059 -0.108 0.000 0.901 119 L HN 0.272 nan 8.230 nan 0.000 0.433 120 Q N -0.362 119.359 119.800 -0.131 0.000 2.077 120 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 120 Q C 2.394 178.331 176.000 -0.104 0.000 0.989 120 Q CA 1.978 57.727 55.803 -0.090 0.000 0.853 120 Q CB -0.229 28.477 28.738 -0.054 0.000 0.907 120 Q HN 0.454 nan 8.270 nan 0.000 0.418 121 S N 1.119 116.744 115.700 -0.125 0.000 2.354 121 S HA -0.212 4.258 4.470 -0.000 0.000 0.219 121 S C 1.808 176.323 174.600 -0.141 0.000 1.035 121 S CA 1.406 59.540 58.200 -0.110 0.000 1.037 121 S CB -0.359 62.788 63.200 -0.090 0.000 0.956 121 S HN 0.293 nan 8.310 nan 0.000 0.428 122 K N 1.238 121.479 120.400 -0.264 0.000 2.144 122 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 122 K C 2.109 178.630 176.600 -0.132 0.000 1.047 122 K CA 1.366 57.507 56.287 -0.242 0.000 0.927 122 K CB -0.375 31.862 32.500 -0.439 0.000 0.716 122 K HN 0.341 nan 8.250 nan 0.000 0.454 123 A N 0.791 123.535 122.820 -0.126 0.000 1.845 123 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 123 A C 2.359 179.926 177.584 -0.029 0.000 1.195 123 A CA 1.963 53.960 52.037 -0.067 0.000 0.616 123 A CB -1.129 17.833 19.000 -0.062 0.000 0.832 123 A HN 0.470 nan 8.150 nan 0.000 0.443 124 A N -0.587 122.217 122.820 -0.027 0.000 1.917 124 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 124 A C 2.261 179.868 177.584 0.038 0.000 1.182 124 A CA 2.161 54.201 52.037 0.005 0.000 0.633 124 A CB -1.173 17.825 19.000 -0.004 0.000 0.819 124 A HN 0.470 nan 8.150 nan 0.000 0.448 125 V N 0.018 119.948 119.914 0.026 0.000 2.287 125 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 125 V C 2.642 178.820 176.094 0.142 0.000 1.053 125 V CA 2.510 64.860 62.300 0.083 0.000 1.027 125 V CB -0.783 31.058 31.823 0.030 0.000 0.646 125 V HN 0.735 nan 8.190 nan 0.000 0.447 126 E N 0.353 120.595 120.200 0.070 0.000 2.118 126 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 126 E C 2.124 178.753 176.600 0.049 0.000 0.992 126 E CA 1.829 58.262 56.400 0.054 0.000 0.804 126 E CB -0.362 29.349 29.700 0.017 0.000 0.741 126 E HN 0.604 nan 8.360 nan 0.000 0.458 127 Q N -0.278 119.553 119.800 0.052 0.000 2.123 127 Q HA 0.065 4.405 4.340 -0.000 0.000 0.199 127 Q C 1.911 177.955 176.000 0.072 0.000 0.966 127 Q CA 1.804 57.639 55.803 0.053 0.000 0.845 127 Q CB -0.536 28.231 28.738 0.048 0.000 0.907 127 Q HN 0.311 nan 8.270 nan 0.000 0.439 128 A N 0.593 123.485 122.820 0.119 0.000 1.873 128 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 128 A C 2.155 179.772 177.584 0.056 0.000 1.186 128 A CA 1.544 53.685 52.037 0.172 0.000 0.616 128 A CB -0.687 18.503 19.000 0.317 0.000 0.823 128 A HN 0.416 nan 8.150 nan 0.000 0.442 129 R N -0.152 120.354 120.500 0.010 0.000 2.096 129 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 129 R C 1.977 178.139 176.300 -0.230 0.000 1.139 129 R CA 2.073 57.993 56.100 -0.298 0.000 0.952 129 R CB -0.475 29.746 30.300 -0.132 0.000 0.854 129 R HN 0.581 nan 8.270 nan 0.000 0.436 130 I N 1.124 121.627 120.570 -0.113 0.000 2.179 130 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 130 I C 1.944 178.025 176.117 -0.060 0.000 1.088 130 I CA 1.201 62.431 61.300 -0.115 0.000 1.357 130 I CB -0.526 37.477 38.000 0.006 0.000 1.051 130 I HN 0.264 nan 8.210 nan 0.000 0.409 131 N N 0.866 119.557 118.700 -0.015 0.000 2.120 131 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 131 N C 1.845 177.170 175.510 -0.308 0.000 1.024 131 N CA 1.170 54.151 53.050 -0.114 0.000 0.852 131 N CB -0.476 37.919 38.487 -0.153 0.000 1.003 131 N HN 0.199 nan 8.380 nan 0.000 0.424 132 L N 1.978 123.063 121.223 -0.231 0.000 2.042 132 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 132 L C 2.328 179.077 176.870 -0.202 0.000 1.076 132 L CA 1.575 56.293 54.840 -0.203 0.000 0.749 132 L CB -0.720 41.207 42.059 -0.221 0.000 0.893 132 L HN 0.068 nan 8.230 nan 0.000 0.432 133 R N -1.869 118.480 120.500 -0.250 0.000 2.105 133 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 133 R C 2.076 178.235 176.300 -0.236 0.000 1.135 133 R CA 1.691 57.627 56.100 -0.272 0.000 0.967 133 R CB -0.368 29.702 30.300 -0.382 0.000 0.861 133 R HN 0.417 nan 8.270 nan 0.000 0.442 134 Y N 0.181 120.375 120.300 -0.176 0.000 2.616 134 Y HA -0.090 4.460 4.550 0.000 0.000 0.296 134 Y C 2.345 178.160 175.900 -0.140 0.000 1.154 134 Y CA 1.412 59.420 58.100 -0.152 0.000 1.325 134 Y CB -0.203 38.151 38.460 -0.177 0.000 1.007 134 Y HN 0.227 nan 8.280 nan 0.000 0.542 135 T N -2.575 111.963 114.554 -0.028 0.000 3.051 135 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 135 T C 0.743 175.473 174.700 0.051 0.000 1.127 135 T CA 0.489 62.592 62.100 0.004 0.000 1.107 135 T CB -0.226 68.659 68.868 0.028 0.000 0.898 135 T HN 0.087 nan 8.240 nan 0.000 0.517 136 K N 1.940 122.362 120.400 0.037 0.000 2.356 136 K HA 0.477 4.797 4.320 -0.000 0.000 0.243 136 K C -0.946 175.702 176.600 0.081 0.000 1.072 136 K CA -0.479 55.840 56.287 0.053 0.000 1.014 136 K CB 1.344 33.850 32.500 0.011 0.000 1.523 136 K HN 0.086 nan 8.250 nan 0.000 0.455 137 V N 5.072 125.067 119.914 0.135 0.000 2.540 137 V HA 0.024 4.144 4.120 -0.000 0.000 0.297 137 V C 0.293 176.465 176.094 0.130 0.000 1.024 137 V CA 0.163 62.558 62.300 0.158 0.000 1.105 137 V CB -0.065 31.899 31.823 0.235 0.000 0.938 137 V HN 0.538 nan 8.190 nan 0.000 0.482 138 L N 3.712 124.987 121.223 0.087 0.000 2.333 138 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 138 L C 0.418 177.300 176.870 0.021 0.000 1.010 138 L CA -0.456 54.408 54.840 0.040 0.000 0.818 138 L CB 1.898 43.965 42.059 0.014 0.000 1.306 138 L HN 0.574 nan 8.230 nan 0.000 0.430 139 S N 2.332 118.019 115.700 -0.020 0.000 2.510 139 S HA 0.191 4.661 4.470 -0.000 0.000 0.279 139 S C -1.255 173.329 174.600 -0.026 0.000 1.284 139 S CA -1.134 57.037 58.200 -0.048 0.000 1.059 139 S CB 0.714 63.860 63.200 -0.089 0.000 0.901 139 S HN 0.483 nan 8.310 nan 0.000 0.491 140 P HA 0.106 nan 4.420 nan 0.000 0.225 140 P C 0.332 177.623 177.300 -0.015 0.000 1.156 140 P CA 0.639 63.732 63.100 -0.011 0.000 0.787 140 P CB -0.204 31.493 31.700 -0.005 0.000 0.802 141 I N -4.469 116.088 120.570 -0.023 0.000 2.752 141 I HA 0.436 4.606 4.170 -0.000 0.000 0.295 141 I C -1.005 175.099 176.117 -0.023 0.000 1.219 141 I CA -1.152 60.138 61.300 -0.017 0.000 1.030 141 I CB 2.498 40.491 38.000 -0.011 0.000 1.259 141 I HN -0.405 nan 8.210 nan 0.000 0.423 142 S N 3.341 119.033 115.700 -0.014 0.000 2.549 142 S HA 0.670 5.140 4.470 -0.000 0.000 0.286 142 S C 0.317 174.909 174.600 -0.012 0.000 1.314 142 S CA 0.553 58.743 58.200 -0.017 0.000 1.062 142 S CB 0.734 63.929 63.200 -0.008 0.000 0.865 142 S HN 1.117 nan 8.310 nan 0.000 0.498 143 G N 1.798 110.583 108.800 -0.025 0.000 2.341 143 G HA2 0.435 4.395 3.960 -0.000 0.000 0.299 143 G HA3 0.435 4.395 3.960 -0.000 0.000 0.299 143 G C -1.540 173.341 174.900 -0.032 0.000 1.274 143 G CA -1.075 44.013 45.100 -0.019 0.000 0.853 143 G HN 0.667 nan 8.290 nan 0.000 0.493 144 R N -0.381 120.103 120.500 -0.026 0.000 2.368 144 R HA 0.746 5.086 4.340 -0.000 0.000 0.302 144 R C -0.678 175.600 176.300 -0.038 0.000 1.002 144 R CA -0.606 55.480 56.100 -0.024 0.000 0.929 144 R CB 1.098 31.392 30.300 -0.011 0.000 1.073 144 R HN 0.586 nan 8.270 nan 0.000 0.464 145 I N 3.585 124.127 120.570 -0.047 0.000 2.530 145 I HA 0.561 4.731 4.170 -0.000 0.000 0.297 145 I C 0.007 176.141 176.117 0.029 0.000 1.011 145 I CA -0.496 60.760 61.300 -0.074 0.000 1.107 145 I CB 1.979 39.816 38.000 -0.271 0.000 1.285 145 I HN 0.849 nan 8.210 nan 0.000 0.436 146 G N 5.824 114.661 108.800 0.062 0.000 3.134 146 G HA2 0.432 4.392 3.960 -0.000 0.000 0.158 146 G HA3 0.432 4.392 3.960 -0.000 0.000 0.158 146 G C -0.511 174.502 174.900 0.189 0.000 1.334 146 G CA -0.822 44.341 45.100 0.106 0.000 1.001 146 G HN 0.594 nan 8.290 nan 0.000 0.600 147 R N -0.142 120.437 120.500 0.132 0.000 2.694 147 R HA 0.395 4.735 4.340 -0.000 0.000 0.268 147 R C -0.033 176.387 176.300 0.201 0.000 1.061 147 R CA 0.024 56.202 56.100 0.130 0.000 1.133 147 R CB 0.836 31.182 30.300 0.077 0.000 1.020 147 R HN 0.318 nan 8.270 nan 0.000 0.475 148 S N 0.695 116.515 115.700 0.200 0.000 2.475 148 S HA 0.339 4.809 4.470 -0.000 0.000 0.281 148 S C 0.892 175.598 174.600 0.176 0.000 1.198 148 S CA -0.319 58.058 58.200 0.294 0.000 1.063 148 S CB 1.427 64.792 63.200 0.275 0.000 0.972 148 S HN 0.674 nan 8.310 nan 0.000 0.486 149 A N 5.461 128.378 122.820 0.161 0.000 1.898 149 A HA 0.221 4.541 4.320 -0.000 0.000 0.214 149 A C 0.966 178.590 177.584 0.066 0.000 1.183 149 A CA 0.662 52.751 52.037 0.087 0.000 0.622 149 A CB -0.497 18.540 19.000 0.062 0.000 0.824 149 A HN 0.652 nan 8.150 nan 0.000 0.444 150 V N 0.045 120.000 119.914 0.069 0.000 3.133 150 V HA 0.416 4.536 4.120 -0.000 0.000 0.305 150 V C 0.694 176.833 176.094 0.074 0.000 1.084 150 V CA 0.628 62.941 62.300 0.022 0.000 1.089 150 V CB 1.444 33.215 31.823 -0.087 0.000 1.073 150 V HN 0.555 nan 8.190 nan 0.000 0.477 151 T N 1.600 116.183 114.554 0.048 0.000 2.900 151 T HA 0.434 4.784 4.350 -0.000 0.000 0.295 151 T C -0.403 174.330 174.700 0.054 0.000 1.044 151 T CA -0.670 61.463 62.100 0.055 0.000 0.995 151 T CB 1.395 70.280 68.868 0.027 0.000 1.072 151 T HN 0.737 nan 8.240 nan 0.000 0.473 152 E N 1.107 121.341 120.200 0.058 0.000 2.696 152 E HA 0.274 4.624 4.350 -0.000 0.000 0.270 152 E C 1.516 178.137 176.600 0.035 0.000 0.958 152 E CA 2.065 58.497 56.400 0.054 0.000 0.964 152 E CB -0.144 29.572 29.700 0.027 0.000 0.948 152 E HN 1.136 nan 8.360 nan 0.000 0.472 153 G N 1.754 110.576 108.800 0.036 0.000 2.257 153 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.267 153 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.267 153 G C 0.512 175.421 174.900 0.015 0.000 0.984 153 G CA 0.316 45.430 45.100 0.023 0.000 0.626 153 G HN 0.866 nan 8.290 nan 0.000 0.540 154 A N -0.554 122.273 122.820 0.013 0.000 2.387 154 A HA 0.662 4.982 4.320 -0.000 0.000 0.251 154 A C 0.280 177.862 177.584 -0.005 0.000 1.113 154 A CA 0.819 52.856 52.037 0.001 0.000 0.794 154 A CB 0.468 19.465 19.000 -0.005 0.000 1.069 154 A HN 1.625 nan 8.150 nan 0.000 0.506 155 L N 0.695 121.912 121.223 -0.010 0.000 2.322 155 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 155 L C -0.425 176.431 176.870 -0.023 0.000 1.014 155 L CA -0.403 54.431 54.840 -0.010 0.000 0.815 155 L CB 1.646 43.701 42.059 -0.007 0.000 1.247 155 L HN 0.721 nan 8.230 nan 0.000 0.421 156 V N 1.454 121.353 119.914 -0.026 0.000 2.604 156 V HA 0.875 4.995 4.120 -0.000 0.000 0.305 156 V C -0.119 175.959 176.094 -0.026 0.000 1.043 156 V CA -0.020 62.254 62.300 -0.043 0.000 0.888 156 V CB 1.292 33.067 31.823 -0.080 0.000 0.995 156 V HN 0.928 nan 8.190 nan 0.000 0.429 157 T N 0.477 115.012 114.554 -0.032 0.000 2.856 157 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 157 T C -0.138 174.535 174.700 -0.045 0.000 1.008 157 T CA -0.554 61.531 62.100 -0.024 0.000 0.997 157 T CB 1.403 70.260 68.868 -0.019 0.000 0.992 157 T HN 1.008 nan 8.240 nan 0.000 0.454 158 N N 1.599 120.269 118.700 -0.050 0.000 2.440 158 N HA 0.349 5.089 4.740 -0.000 0.000 0.265 158 N C 1.449 176.915 175.510 -0.074 0.000 1.239 158 N CA 1.569 54.566 53.050 -0.087 0.000 0.909 158 N CB -0.290 38.132 38.487 -0.109 0.000 1.066 158 N HN 1.299 nan 8.380 nan 0.000 0.474 159 G N 2.311 111.063 108.800 -0.079 0.000 2.213 159 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.226 159 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.226 159 G C -0.067 174.805 174.900 -0.047 0.000 0.992 159 G CA 0.225 45.288 45.100 -0.061 0.000 0.632 159 G HN 0.961 nan 8.290 nan 0.000 0.511 160 Q N 0.550 120.322 119.800 -0.047 0.000 2.326 160 Q HA 0.518 4.858 4.340 -0.000 0.000 0.314 160 Q C 1.614 177.593 176.000 -0.034 0.000 1.091 160 Q CA 0.818 56.599 55.803 -0.037 0.000 0.974 160 Q CB 0.860 29.574 28.738 -0.039 0.000 1.220 160 Q HN 1.069 nan 8.270 nan 0.000 0.398 161 A N 4.512 127.317 122.820 -0.026 0.000 1.849 161 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 161 A C 0.531 178.103 177.584 -0.020 0.000 1.202 161 A CA 1.740 53.764 52.037 -0.021 0.000 0.629 161 A CB -0.934 18.056 19.000 -0.016 0.000 0.834 161 A HN 0.940 nan 8.150 nan 0.000 0.447 162 N N -0.301 118.388 118.700 -0.019 0.000 2.518 162 N HA 0.455 5.195 4.740 -0.000 0.000 0.266 162 N C -0.274 175.224 175.510 -0.019 0.000 1.196 162 N CA 0.006 53.047 53.050 -0.014 0.000 0.947 162 N CB 0.755 39.237 38.487 -0.009 0.000 1.098 162 N HN 0.549 nan 8.380 nan 0.000 0.450 163 A N 1.918 124.732 122.820 -0.010 0.000 2.302 163 A HA 0.238 4.558 4.320 -0.000 0.000 0.285 163 A C 1.130 178.715 177.584 0.001 0.000 1.105 163 A CA -0.467 51.564 52.037 -0.009 0.000 0.816 163 A CB 0.394 19.395 19.000 0.001 0.000 1.067 163 A HN 0.773 nan 8.150 nan 0.000 0.489 164 M N 0.734 120.329 119.600 -0.007 0.000 2.236 164 M HA 0.168 4.648 4.480 -0.000 0.000 0.266 164 M C 0.863 177.254 176.300 0.152 0.000 1.070 164 M CA 1.704 57.011 55.300 0.011 0.000 1.137 164 M CB -0.385 32.113 32.600 -0.169 0.000 1.378 164 M HN 0.811 nan 8.290 nan 0.000 0.426 165 A N -0.411 122.497 122.820 0.147 0.000 2.581 165 A HA 0.704 5.024 4.320 -0.000 0.000 0.290 165 A C -1.033 176.581 177.584 0.050 0.000 1.119 165 A CA -0.640 51.484 52.037 0.146 0.000 0.670 165 A CB 1.332 20.455 19.000 0.204 0.000 1.280 165 A HN 0.094 nan 8.150 nan 0.000 0.425 166 T N 0.799 115.365 114.554 0.020 0.000 2.937 166 T HA 0.527 4.877 4.350 -0.000 0.000 0.297 166 T C -1.018 173.661 174.700 -0.035 0.000 0.991 166 T CA -0.306 61.791 62.100 -0.006 0.000 0.990 166 T CB 1.249 70.121 68.868 0.007 0.000 0.991 166 T HN 0.671 nan 8.240 nan 0.000 0.440 167 V N 4.421 124.305 119.914 -0.050 0.000 2.407 167 V HA 0.406 4.526 4.120 -0.000 0.000 0.278 167 V C -0.054 176.023 176.094 -0.029 0.000 1.037 167 V CA -0.492 61.773 62.300 -0.059 0.000 0.900 167 V CB 1.334 33.112 31.823 -0.075 0.000 0.983 167 V HN 0.801 nan 8.190 nan 0.000 0.459 168 Q N 3.621 123.409 119.800 -0.020 0.000 2.309 168 Q HA 0.365 4.705 4.340 -0.000 0.000 0.270 168 Q C -0.684 175.319 176.000 0.005 0.000 1.023 168 Q CA -0.420 55.381 55.803 -0.003 0.000 0.758 168 Q CB 2.655 31.393 28.738 0.001 0.000 1.247 168 Q HN 0.719 nan 8.270 nan 0.000 0.455 169 Q N 3.176 122.991 119.800 0.025 0.000 2.297 169 Q HA 0.145 4.485 4.340 -0.000 0.000 0.267 169 Q C -0.095 175.931 176.000 0.043 0.000 1.006 169 Q CA 0.317 56.147 55.803 0.044 0.000 0.896 169 Q CB 0.585 29.389 28.738 0.110 0.000 1.186 169 Q HN 0.730 nan 8.270 nan 0.000 0.392 170 L N 2.678 123.902 121.223 0.001 0.000 2.920 170 L HA 0.317 4.657 4.340 -0.000 0.000 0.257 170 L C -0.306 176.523 176.870 -0.067 0.000 1.150 170 L CA -0.057 54.772 54.840 -0.019 0.000 0.959 170 L CB 0.799 42.846 42.059 -0.019 0.000 1.321 170 L HN 0.563 nan 8.230 nan 0.000 0.555 171 D N 1.753 122.096 120.400 -0.096 0.000 2.505 171 D HA 0.294 4.934 4.640 -0.000 0.000 0.250 171 D C -2.264 173.874 176.300 -0.271 0.000 1.164 171 D CA -1.691 52.221 54.000 -0.147 0.000 0.870 171 D CB 2.025 42.775 40.800 -0.083 0.000 1.160 171 D HN -0.135 nan 8.370 nan 0.000 0.549 172 P HA 0.296 nan 4.420 nan 0.000 0.277 172 P C -0.605 176.432 177.300 -0.438 0.000 1.276 172 P CA -0.631 62.168 63.100 -0.503 0.000 0.788 172 P CB 1.271 32.528 31.700 -0.738 0.000 1.114 173 I N -0.644 119.796 120.570 -0.217 0.000 2.647 173 I HA 0.326 4.496 4.170 -0.000 0.000 0.295 173 I C -0.859 175.309 176.117 0.085 0.000 1.078 173 I CA -1.198 60.061 61.300 -0.067 0.000 1.048 173 I CB 1.453 39.440 38.000 -0.022 0.000 1.239 173 I HN 0.124 nan 8.210 nan 0.000 0.421 174 Y N 5.252 125.673 120.300 0.201 0.000 2.300 174 Y HA 0.495 5.045 4.550 -0.000 0.000 0.328 174 Y C -0.006 175.971 175.900 0.129 0.000 1.270 174 Y CA -0.745 57.462 58.100 0.178 0.000 1.352 174 Y CB 1.425 39.974 38.460 0.149 0.000 1.286 174 Y HN 0.185 nan 8.280 nan 0.000 0.536 175 V N 2.938 123.052 119.914 0.333 0.000 2.445 175 V HA 0.182 4.302 4.120 -0.000 0.000 0.283 175 V C -1.179 174.986 176.094 0.118 0.000 1.014 175 V CA -1.152 61.270 62.300 0.204 0.000 0.852 175 V CB 1.309 33.294 31.823 0.271 0.000 1.021 175 V HN 0.603 nan 8.190 nan 0.000 0.435 176 D N 3.533 123.975 120.400 0.069 0.000 2.339 176 D HA 0.402 5.042 4.640 -0.000 0.000 0.256 176 D C -0.187 176.124 176.300 0.019 0.000 1.214 176 D CA 0.380 54.387 54.000 0.010 0.000 0.877 176 D CB 1.718 42.519 40.800 0.002 0.000 1.111 176 D HN 0.258 nan 8.370 nan 0.000 0.478 177 V N 2.641 122.557 119.914 0.003 0.000 2.513 177 V HA 0.451 4.571 4.120 -0.000 0.000 0.299 177 V C 0.412 176.510 176.094 0.007 0.000 1.035 177 V CA -0.553 61.755 62.300 0.013 0.000 0.889 177 V CB 2.234 34.069 31.823 0.020 0.000 0.988 177 V HN 0.454 nan 8.190 nan 0.000 0.440 178 T N 4.708 119.271 114.554 0.015 0.000 2.786 178 T HA 0.531 4.881 4.350 -0.000 0.000 0.283 178 T C -0.708 174.006 174.700 0.024 0.000 0.992 178 T CA -0.456 61.652 62.100 0.014 0.000 0.954 178 T CB 1.100 69.973 68.868 0.009 0.000 0.934 178 T HN 0.572 nan 8.240 nan 0.000 0.440 179 Q N 2.989 122.806 119.800 0.029 0.000 2.451 179 Q HA 0.479 4.819 4.340 -0.000 0.000 0.281 179 Q C -2.652 173.366 176.000 0.030 0.000 1.099 179 Q CA -2.432 53.393 55.803 0.036 0.000 0.806 179 Q CB 2.309 31.080 28.738 0.055 0.000 1.419 179 Q HN 0.360 nan 8.270 nan 0.000 0.427 180 P HA 0.036 nan 4.420 nan 0.000 0.276 180 P C 0.598 177.911 177.300 0.023 0.000 1.235 180 P CA 0.241 63.353 63.100 0.020 0.000 0.772 180 P CB 1.110 32.820 31.700 0.017 0.000 0.871 181 S N 2.811 118.522 115.700 0.018 0.000 2.414 181 S HA -0.239 4.231 4.470 -0.000 0.000 0.241 181 S C 1.888 176.498 174.600 0.017 0.000 1.079 181 S CA 2.683 60.894 58.200 0.018 0.000 1.087 181 S CB -0.981 62.226 63.200 0.011 0.000 0.927 181 S HN 0.780 nan 8.310 nan 0.000 0.456 182 T N -0.076 114.485 114.554 0.013 0.000 2.643 182 T HA -0.001 4.349 4.350 -0.000 0.000 0.264 182 T C 1.943 176.650 174.700 0.012 0.000 1.045 182 T CA 1.675 63.781 62.100 0.009 0.000 1.155 182 T CB -1.132 67.740 68.868 0.007 0.000 0.863 182 T HN 0.453 nan 8.240 nan 0.000 0.420 183 A N 1.562 124.395 122.820 0.020 0.000 1.948 183 A HA 0.001 4.321 4.320 -0.000 0.000 0.220 183 A C 2.387 179.995 177.584 0.040 0.000 1.177 183 A CA 1.892 53.946 52.037 0.029 0.000 0.636 183 A CB -1.062 17.961 19.000 0.038 0.000 0.815 183 A HN 0.518 nan 8.150 nan 0.000 0.449 184 L N -1.196 120.057 121.223 0.050 0.000 2.093 184 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 184 L C 2.190 179.070 176.870 0.016 0.000 1.085 184 L CA 1.703 56.589 54.840 0.078 0.000 0.755 184 L CB -0.564 41.549 42.059 0.089 0.000 0.904 184 L HN 0.320 nan 8.230 nan 0.000 0.435 185 L N -0.160 121.061 121.223 -0.004 0.000 2.046 185 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 185 L C 2.775 179.608 176.870 -0.063 0.000 1.077 185 L CA 1.902 56.720 54.840 -0.035 0.000 0.747 185 L CB -0.814 41.232 42.059 -0.021 0.000 0.896 185 L HN 0.372 nan 8.230 nan 0.000 0.432 186 R N -0.549 119.927 120.500 -0.039 0.000 2.097 186 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 186 R C 2.294 178.544 176.300 -0.084 0.000 1.135 186 R CA 2.370 58.444 56.100 -0.044 0.000 0.934 186 R CB -0.592 29.699 30.300 -0.015 0.000 0.846 186 R HN 0.416 nan 8.270 nan 0.000 0.431 187 L N 0.270 121.443 121.223 -0.085 0.000 2.079 187 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 187 L C 2.812 179.409 176.870 -0.454 0.000 1.081 187 L CA 1.438 56.180 54.840 -0.163 0.000 0.752 187 L CB -0.477 41.588 42.059 0.010 0.000 0.896 187 L HN 0.260 nan 8.230 nan 0.000 0.433 188 R N -0.335 119.894 120.500 -0.452 0.000 2.120 188 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 188 R C 2.454 178.570 176.300 -0.308 0.000 1.123 188 R CA 1.088 56.881 56.100 -0.512 0.000 0.975 188 R CB -0.207 29.926 30.300 -0.279 0.000 0.866 188 R HN 0.391 nan 8.270 nan 0.000 0.446 189 R N 0.753 121.135 120.500 -0.198 0.000 2.055 189 R HA -0.080 4.260 4.340 -0.000 0.000 0.228 189 R C 2.040 178.268 176.300 -0.121 0.000 1.143 189 R CA 1.213 57.237 56.100 -0.126 0.000 0.945 189 R CB -0.141 30.110 30.300 -0.082 0.000 0.841 189 R HN 0.272 nan 8.270 nan 0.000 0.429 190 E N 0.666 120.796 120.200 -0.117 0.000 2.233 190 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 190 E C 1.811 178.358 176.600 -0.089 0.000 1.004 190 E CA 1.140 57.491 56.400 -0.082 0.000 0.819 190 E CB -0.100 29.565 29.700 -0.059 0.000 0.738 190 E HN 0.123 nan 8.360 nan 0.000 0.478 191 L N 0.429 121.556 121.223 -0.160 0.000 2.049 191 L HA 0.041 4.381 4.340 -0.000 0.000 0.203 191 L C 2.214 179.034 176.870 -0.082 0.000 1.074 191 L CA 1.838 56.601 54.840 -0.128 0.000 0.749 191 L CB -0.724 41.190 42.059 -0.243 0.000 0.907 191 L HN 0.011 nan 8.230 nan 0.000 0.439 192 A N -0.485 122.275 122.820 -0.101 0.000 1.917 192 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 192 A C 2.357 179.917 177.584 -0.041 0.000 1.182 192 A CA 2.572 54.571 52.037 -0.063 0.000 0.633 192 A CB -1.210 17.749 19.000 -0.067 0.000 0.819 192 A HN 0.694 nan 8.150 nan 0.000 0.448 193 S N -1.822 113.852 115.700 -0.043 0.000 2.341 193 S HA 0.354 4.824 4.470 -0.000 0.000 0.204 193 S C 1.563 176.152 174.600 -0.019 0.000 1.038 193 S CA 1.423 59.606 58.200 -0.028 0.000 1.013 193 S CB -0.726 62.458 63.200 -0.027 0.000 0.994 193 S HN 1.449 nan 8.310 nan 0.000 0.430 194 G N -0.363 108.427 108.800 -0.016 0.000 4.474 194 G HA2 0.029 3.989 3.960 -0.000 0.000 0.202 194 G HA3 0.029 3.989 3.960 -0.000 0.000 0.202 194 G C 0.765 175.666 174.900 0.000 0.000 0.708 194 G CA 0.400 45.497 45.100 -0.005 0.000 0.806 194 G HN 0.465 nan 8.290 nan 0.000 0.508 195 Q N -0.354 119.443 119.800 -0.004 0.000 2.449 195 Q HA 0.031 4.371 4.340 -0.000 0.000 0.214 195 Q C 0.135 176.145 176.000 0.016 0.000 0.986 195 Q CA 0.862 56.667 55.803 0.003 0.000 0.893 195 Q CB -0.104 28.632 28.738 -0.003 0.000 0.940 195 Q HN 0.341 nan 8.270 nan 0.000 0.477 196 L N 0.677 121.911 121.223 0.018 0.000 2.354 196 L HA 0.277 4.617 4.340 -0.000 0.000 0.269 196 L C -0.594 176.305 176.870 0.049 0.000 1.005 196 L CA -0.376 54.491 54.840 0.044 0.000 0.819 196 L CB 2.082 44.179 42.059 0.063 0.000 1.311 196 L HN -0.040 nan 8.230 nan 0.000 0.423 197 E N 3.082 123.317 120.200 0.058 0.000 1.881 197 E HA 0.015 4.365 4.350 -0.000 0.000 0.264 197 E C -0.049 176.586 176.600 0.059 0.000 1.243 197 E CA -0.152 56.278 56.400 0.049 0.000 0.965 197 E CB 0.074 29.801 29.700 0.045 0.000 1.055 197 E HN 0.284 nan 8.360 nan 0.000 0.412 198 R N 2.099 122.631 120.500 0.052 0.000 2.501 198 R HA -0.093 4.247 4.340 -0.000 0.000 0.319 198 R C 0.642 176.971 176.300 0.048 0.000 0.913 198 R CA 0.265 56.401 56.100 0.059 0.000 1.104 198 R CB 0.373 30.698 30.300 0.041 0.000 0.901 198 R HN 0.512 nan 8.270 nan 0.000 0.407 199 A N 3.753 126.605 122.820 0.054 0.000 1.997 199 A HA 0.262 4.582 4.320 -0.000 0.000 0.212 199 A C 0.788 178.385 177.584 0.022 0.000 1.178 199 A CA 1.076 53.127 52.037 0.024 0.000 0.698 199 A CB 0.417 19.417 19.000 -0.000 0.000 0.842 199 A HN 0.787 nan 8.150 nan 0.000 0.458 200 G N -1.825 106.999 108.800 0.040 0.000 2.645 200 G HA2 0.401 4.361 3.960 -0.000 0.000 0.292 200 G HA3 0.401 4.361 3.960 -0.000 0.000 0.292 200 G C -0.731 174.200 174.900 0.050 0.000 1.415 200 G CA 0.135 45.256 45.100 0.036 0.000 0.785 200 G HN -0.110 nan 8.290 nan 0.000 0.483 201 D N -0.475 119.951 120.400 0.042 0.000 2.254 201 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 201 D C 1.253 177.589 176.300 0.061 0.000 0.998 201 D CA 1.578 55.604 54.000 0.042 0.000 0.885 201 D CB 0.386 41.206 40.800 0.034 0.000 0.915 201 D HN 0.231 nan 8.370 nan 0.000 0.460 202 N N -1.443 117.310 118.700 0.089 0.000 2.193 202 N HA 0.294 5.034 4.740 -0.000 0.000 0.236 202 N C -1.346 174.325 175.510 0.268 0.000 1.347 202 N CA 0.080 53.218 53.050 0.147 0.000 0.812 202 N CB 1.090 39.649 38.487 0.121 0.000 1.297 202 N HN 0.055 nan 8.380 nan 0.000 0.499 203 A N -0.028 122.904 122.820 0.187 0.000 2.423 203 A HA 0.911 5.231 4.320 -0.000 0.000 0.304 203 A C -0.787 176.895 177.584 0.165 0.000 1.104 203 A CA -0.495 51.621 52.037 0.133 0.000 0.757 203 A CB 1.494 20.477 19.000 -0.028 0.000 1.313 203 A HN 0.081 nan 8.150 nan 0.000 0.423 204 A N 0.930 123.836 122.820 0.144 0.000 2.320 204 A HA 0.684 5.004 4.320 -0.000 0.000 0.334 204 A C -0.097 177.498 177.584 0.018 0.000 1.147 204 A CA -0.656 51.472 52.037 0.152 0.000 0.820 204 A CB 0.552 19.734 19.000 0.303 0.000 1.218 204 A HN 0.764 nan 8.150 nan 0.000 0.482 205 K N 0.195 120.611 120.400 0.027 0.000 2.295 205 K HA 0.493 4.813 4.320 -0.000 0.000 0.270 205 K C -0.858 175.746 176.600 0.007 0.000 1.011 205 K CA 0.065 56.350 56.287 -0.003 0.000 0.953 205 K CB 0.851 33.362 32.500 0.018 0.000 0.956 205 K HN 0.419 nan 8.250 nan 0.000 0.477 206 V N 0.680 120.587 119.914 -0.013 0.000 3.120 206 V HA 0.286 4.406 4.120 -0.000 0.000 0.303 206 V C -0.688 175.528 176.094 0.204 0.000 1.238 206 V CA -1.087 61.251 62.300 0.063 0.000 1.008 206 V CB 2.076 33.912 31.823 0.022 0.000 1.064 206 V HN 0.951 nan 8.190 nan 0.000 0.434 207 S N 2.484 118.351 115.700 0.279 0.000 2.621 207 S HA 0.901 5.371 4.470 -0.000 0.000 0.302 207 S C -1.175 173.643 174.600 0.363 0.000 1.093 207 S CA -0.680 57.728 58.200 0.348 0.000 1.017 207 S CB 2.020 65.332 63.200 0.188 0.000 1.077 207 S HN 0.754 nan 8.310 nan 0.000 0.517 208 L N 1.324 122.662 121.223 0.192 0.000 2.346 208 L HA 0.626 4.966 4.340 -0.000 0.000 0.276 208 L C -0.551 176.324 176.870 0.010 0.000 1.006 208 L CA -0.429 54.370 54.840 -0.070 0.000 0.817 208 L CB 1.667 43.241 42.059 -0.808 0.000 1.272 208 L HN 0.933 nan 8.230 nan 0.000 0.421 209 K N 5.523 125.953 120.400 0.050 0.000 2.449 209 K HA 0.472 4.792 4.320 -0.000 0.000 0.257 209 K C -0.727 175.938 176.600 0.107 0.000 0.989 209 K CA -0.596 55.742 56.287 0.085 0.000 0.916 209 K CB 0.667 33.224 32.500 0.094 0.000 1.136 209 K HN 0.673 nan 8.250 nan 0.000 0.439 210 L N 2.448 123.701 121.223 0.050 0.000 2.472 210 L HA -0.036 4.304 4.340 -0.000 0.000 0.273 210 L C 1.873 178.804 176.870 0.101 0.000 1.254 210 L CA 0.311 55.169 54.840 0.030 0.000 0.823 210 L CB 0.271 42.334 42.059 0.006 0.000 1.096 210 L HN 0.799 nan 8.230 nan 0.000 0.521 211 E N 0.594 120.843 120.200 0.081 0.000 2.110 211 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 211 E C 1.445 178.108 176.600 0.106 0.000 0.988 211 E CA 1.553 58.031 56.400 0.129 0.000 0.804 211 E CB 0.098 29.864 29.700 0.110 0.000 0.745 211 E HN 0.857 nan 8.360 nan 0.000 0.458 212 D N -1.191 119.248 120.400 0.065 0.000 2.219 212 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 212 D C 1.465 177.792 176.300 0.045 0.000 0.970 212 D CA 1.542 55.571 54.000 0.049 0.000 0.851 212 D CB -0.048 40.772 40.800 0.033 0.000 0.943 212 D HN 0.393 nan 8.370 nan 0.000 0.488 213 G N -0.354 108.477 108.800 0.051 0.000 2.421 213 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.188 213 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.188 213 G C 0.324 175.244 174.900 0.032 0.000 1.001 213 G CA 0.261 45.382 45.100 0.035 0.000 0.693 213 G HN 0.753 nan 8.290 nan 0.000 0.479 214 S N 0.237 115.959 115.700 0.037 0.000 2.573 214 S HA 0.520 4.990 4.470 -0.000 0.000 0.277 214 S C 0.078 174.709 174.600 0.051 0.000 1.346 214 S CA 0.220 58.442 58.200 0.038 0.000 1.034 214 S CB 1.841 65.064 63.200 0.039 0.000 0.879 214 S HN 0.543 nan 8.310 nan 0.000 0.528 215 Q N 1.118 120.946 119.800 0.047 0.000 2.296 215 Q HA 0.297 4.637 4.340 -0.000 0.000 0.257 215 Q C -1.316 174.736 176.000 0.087 0.000 0.942 215 Q CA -0.509 55.330 55.803 0.060 0.000 0.939 215 Q CB 0.439 29.200 28.738 0.037 0.000 1.198 215 Q HN 0.691 nan 8.270 nan 0.000 0.429 216 Y N 7.600 127.869 120.300 -0.050 0.000 2.605 216 Y HA 0.141 4.691 4.550 -0.000 0.000 0.336 216 Y C -1.485 174.396 175.900 -0.032 0.000 1.111 216 Y CA -1.983 56.073 58.100 -0.072 0.000 1.422 216 Y CB 0.720 39.078 38.460 -0.170 0.000 1.193 216 Y HN 0.693 nan 8.280 nan 0.000 0.526 217 P HA -0.234 nan 4.420 nan 0.000 0.218 217 P C -0.067 176.990 177.300 -0.405 0.000 1.150 217 P CA 1.547 64.414 63.100 -0.388 0.000 0.841 217 P CB 0.385 31.871 31.700 -0.356 0.000 0.784 218 L N -1.079 119.716 121.223 -0.713 0.000 2.365 218 L HA 0.447 4.787 4.340 -0.000 0.000 0.267 218 L C 0.629 177.569 176.870 0.117 0.000 1.033 218 L CA -0.981 53.714 54.840 -0.243 0.000 0.802 218 L CB 1.146 43.102 42.059 -0.172 0.000 1.267 218 L HN -0.120 nan 8.230 nan 0.000 0.457 219 E N -0.573 119.738 120.200 0.185 0.000 2.238 219 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 219 E C -0.990 175.711 176.600 0.168 0.000 0.887 219 E CA -0.535 56.021 56.400 0.261 0.000 0.769 219 E CB 2.263 32.035 29.700 0.120 0.000 1.187 219 E HN 0.700 nan 8.360 nan 0.000 0.416 220 G N 2.425 111.177 108.800 -0.081 0.000 2.714 220 G HA2 0.470 4.430 3.960 -0.000 0.000 0.292 220 G HA3 0.470 4.430 3.960 -0.000 0.000 0.292 220 G C -1.051 173.566 174.900 -0.471 0.000 1.308 220 G CA -0.881 43.910 45.100 -0.515 0.000 0.964 220 G HN 0.474 nan 8.290 nan 0.000 0.484 221 R N -0.426 119.850 120.500 -0.373 0.000 2.349 221 R HA 0.373 4.713 4.340 -0.000 0.000 0.299 221 R C -1.012 175.113 176.300 -0.291 0.000 1.027 221 R CA -0.730 55.223 56.100 -0.244 0.000 0.958 221 R CB 1.772 31.991 30.300 -0.134 0.000 1.047 221 R HN 0.267 nan 8.270 nan 0.000 0.468 222 L N 3.395 124.449 121.223 -0.282 0.000 2.321 222 L HA 0.247 4.587 4.340 -0.000 0.000 0.272 222 L C -0.405 176.155 176.870 -0.516 0.000 1.050 222 L CA -0.387 54.229 54.840 -0.374 0.000 0.893 222 L CB 0.642 42.459 42.059 -0.403 0.000 1.272 222 L HN 0.428 nan 8.230 nan 0.000 0.435 223 E N 3.408 123.414 120.200 -0.323 0.000 2.415 223 E HA -0.017 4.333 4.350 -0.000 0.000 0.263 223 E C 0.233 176.619 176.600 -0.356 0.000 0.995 223 E CA 0.365 56.623 56.400 -0.236 0.000 0.915 223 E CB 0.523 30.168 29.700 -0.093 0.000 0.951 223 E HN 0.558 nan 8.360 nan 0.000 0.449 224 F N 0.396 120.339 119.950 -0.011 0.000 2.776 224 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 224 F C 1.664 177.454 175.800 -0.016 0.000 1.116 224 F CA 0.047 58.040 58.000 -0.011 0.000 1.375 224 F CB 0.241 39.237 39.000 -0.006 0.000 1.109 224 F HN 0.170 nan 8.300 nan 0.000 0.585 225 S N 1.782 117.542 115.700 0.101 0.000 2.544 225 S HA 0.027 4.497 4.470 -0.000 0.000 0.290 225 S C 0.157 174.767 174.600 0.018 0.000 1.276 225 S CA -0.785 57.448 58.200 0.055 0.000 1.075 225 S CB -0.170 63.044 63.200 0.023 0.000 0.849 225 S HN 0.379 nan 8.310 nan 0.000 0.494 226 E N 3.695 123.909 120.200 0.024 0.000 2.392 226 E HA 0.229 4.579 4.350 -0.000 0.000 0.264 226 E C 0.443 177.028 176.600 -0.025 0.000 1.024 226 E CA -0.535 55.867 56.400 0.003 0.000 0.903 226 E CB 0.651 30.358 29.700 0.012 0.000 0.963 226 E HN 0.266 nan 8.360 nan 0.000 0.432 227 V N 0.963 120.850 119.914 -0.045 0.000 3.455 227 V HA 0.222 4.342 4.120 -0.000 0.000 0.250 227 V C 0.511 176.576 176.094 -0.048 0.000 1.230 227 V CA 0.432 62.693 62.300 -0.065 0.000 1.105 227 V CB 0.336 32.090 31.823 -0.114 0.000 0.850 227 V HN 0.716 nan 8.190 nan 0.000 0.461 228 S N -0.354 115.324 115.700 -0.035 0.000 2.558 228 S HA 0.663 5.133 4.470 -0.000 0.000 0.277 228 S C -1.630 172.962 174.600 -0.015 0.000 1.143 228 S CA -0.373 57.812 58.200 -0.025 0.000 0.865 228 S CB 2.038 65.221 63.200 -0.029 0.000 1.102 228 S HN 0.014 nan 8.310 nan 0.000 0.454 229 V N 3.115 123.023 119.914 -0.010 0.000 2.735 229 V HA 0.542 4.662 4.120 -0.000 0.000 0.310 229 V C -0.789 175.303 176.094 -0.004 0.000 1.061 229 V CA -0.810 61.488 62.300 -0.004 0.000 0.913 229 V CB 1.974 33.796 31.823 -0.002 0.000 1.005 229 V HN 0.924 nan 8.190 nan 0.000 0.428 230 D N 2.415 122.813 120.400 -0.002 0.000 2.500 230 D HA 0.216 4.856 4.640 -0.000 0.000 0.219 230 D C 1.042 177.341 176.300 -0.001 0.000 1.137 230 D CA -0.228 53.771 54.000 -0.002 0.000 0.946 230 D CB 1.115 41.915 40.800 -0.001 0.000 1.022 230 D HN 0.626 nan 8.370 nan 0.000 0.518 231 E N 1.242 121.442 120.200 -0.001 0.000 2.253 231 E HA -0.202 4.148 4.350 -0.000 0.000 0.202 231 E C 1.831 178.431 176.600 -0.000 0.000 1.014 231 E CA 1.536 57.936 56.400 -0.001 0.000 0.823 231 E CB 0.138 29.837 29.700 -0.002 0.000 0.736 231 E HN 0.638 nan 8.360 nan 0.000 0.478 232 G N 0.087 108.887 108.800 -0.001 0.000 2.616 232 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.215 232 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.215 232 G C 1.673 176.573 174.900 0.000 0.000 1.284 232 G CA 1.465 46.565 45.100 -0.000 0.000 0.823 232 G HN 0.427 nan 8.290 nan 0.000 0.569 233 T N -1.681 112.873 114.554 0.000 0.000 3.051 233 T HA 0.283 4.633 4.350 -0.000 0.000 0.269 233 T C 2.030 176.731 174.700 0.002 0.000 1.127 233 T CA 1.117 63.218 62.100 0.001 0.000 1.107 233 T CB -0.258 68.611 68.868 0.001 0.000 0.898 233 T HN 1.627 nan 8.240 nan 0.000 0.517 234 G N 0.713 109.514 108.800 0.002 0.000 2.189 234 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 234 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 234 G C 0.294 175.197 174.900 0.005 0.000 0.975 234 G CA 0.299 45.401 45.100 0.003 0.000 0.644 234 G HN 0.744 nan 8.290 nan 0.000 0.537 235 S N -0.877 114.825 115.700 0.005 0.000 2.593 235 S HA 0.575 5.045 4.470 -0.000 0.000 0.269 235 S C 0.558 175.163 174.600 0.007 0.000 1.334 235 S CA 0.020 58.225 58.200 0.007 0.000 1.015 235 S CB 1.970 65.174 63.200 0.006 0.000 0.912 235 S HN 0.740 nan 8.310 nan 0.000 0.541 236 V N 1.614 121.535 119.914 0.012 0.000 2.815 236 V HA 0.571 4.691 4.120 -0.000 0.000 0.314 236 V C -0.085 176.013 176.094 0.007 0.000 1.064 236 V CA -0.743 61.563 62.300 0.010 0.000 0.952 236 V CB 2.189 34.024 31.823 0.020 0.000 1.020 236 V HN 0.866 nan 8.190 nan 0.000 0.439 237 T N 4.821 119.372 114.554 -0.005 0.000 2.809 237 T HA 0.688 5.038 4.350 -0.000 0.000 0.284 237 T C -0.389 174.289 174.700 -0.037 0.000 0.992 237 T CA -0.165 61.924 62.100 -0.018 0.000 0.957 237 T CB 0.802 69.654 68.868 -0.025 0.000 0.942 237 T HN 0.624 nan 8.240 nan 0.000 0.439 238 I N 0.233 120.776 120.570 -0.044 0.000 3.023 238 I HA 0.778 4.948 4.170 -0.000 0.000 0.312 238 I C -0.466 175.582 176.117 -0.116 0.000 1.056 238 I CA -1.546 59.706 61.300 -0.080 0.000 1.033 238 I CB 1.950 39.905 38.000 -0.075 0.000 1.233 238 I HN 0.266 nan 8.210 nan 0.000 0.462 239 R N 1.881 122.280 120.500 -0.168 0.000 2.562 239 R HA 0.789 5.129 4.340 -0.000 0.000 0.298 239 R C -0.968 175.265 176.300 -0.112 0.000 0.961 239 R CA -0.802 55.190 56.100 -0.180 0.000 0.881 239 R CB 2.200 32.240 30.300 -0.433 0.000 1.159 239 R HN 0.876 nan 8.270 nan 0.000 0.450 240 A N 2.253 125.067 122.820 -0.011 0.000 2.325 240 A HA 0.604 4.924 4.320 -0.000 0.000 0.333 240 A C -0.657 176.975 177.584 0.081 0.000 1.155 240 A CA -0.618 51.388 52.037 -0.052 0.000 0.814 240 A CB 1.372 20.368 19.000 -0.007 0.000 1.206 240 A HN 0.434 nan 8.150 nan 0.000 0.482 241 V N 2.770 122.630 119.914 -0.091 0.000 2.349 241 V HA 0.402 4.522 4.120 -0.000 0.000 0.284 241 V C -1.072 174.900 176.094 -0.203 0.000 1.014 241 V CA -0.090 62.218 62.300 0.012 0.000 0.826 241 V CB 0.107 31.972 31.823 0.070 0.000 1.009 241 V HN 0.713 nan 8.190 nan 0.000 0.431 242 F N 5.439 125.396 119.950 0.012 0.000 2.470 242 F HA 0.639 5.166 4.527 0.000 0.000 0.329 242 F C -2.200 173.591 175.800 -0.015 0.000 1.072 242 F CA -2.626 55.391 58.000 0.027 0.000 0.989 242 F CB 1.800 40.827 39.000 0.045 0.000 1.193 242 F HN 0.276 nan 8.300 nan 0.000 0.481 243 P HA 0.205 nan 4.420 nan 0.000 0.284 243 P C -0.878 176.533 177.300 0.185 0.000 1.253 243 P CA -0.248 62.923 63.100 0.117 0.000 0.800 243 P CB 0.657 32.411 31.700 0.091 0.000 0.961 244 N N 2.755 121.499 118.700 0.074 0.000 2.672 244 N HA 0.180 4.920 4.740 -0.000 0.000 0.295 244 N C -1.885 173.647 175.510 0.038 0.000 1.924 244 N CA -1.869 51.230 53.050 0.083 0.000 0.851 244 N CB 0.334 38.825 38.487 0.006 0.000 1.281 244 N HN 0.172 nan 8.380 nan 0.000 0.494 245 P HA 0.013 nan 4.420 nan 0.000 0.226 245 P C -0.271 177.038 177.300 0.014 0.000 1.153 245 P CA 0.930 64.037 63.100 0.011 0.000 0.777 245 P CB 0.436 32.138 31.700 0.004 0.000 0.794 246 N N -0.340 118.379 118.700 0.032 0.000 2.235 246 N HA 0.025 4.765 4.740 -0.000 0.000 0.231 246 N C 0.312 175.837 175.510 0.025 0.000 1.177 246 N CA -0.335 52.730 53.050 0.025 0.000 0.874 246 N CB -0.516 37.988 38.487 0.027 0.000 1.097 246 N HN 0.013 nan 8.380 nan 0.000 0.518 247 N N 1.445 120.157 118.700 0.021 0.000 2.681 247 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 247 N C 0.485 175.998 175.510 0.005 0.000 1.133 247 N CA 0.635 53.689 53.050 0.005 0.000 0.732 247 N CB -0.460 38.026 38.487 -0.002 0.000 1.107 247 N HN 0.521 nan 8.380 nan 0.000 0.559 248 E N -0.265 119.955 120.200 0.034 0.000 2.204 248 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 248 E C 0.468 177.045 176.600 -0.038 0.000 0.990 248 E CA 0.702 57.122 56.400 0.033 0.000 0.821 248 E CB 0.156 29.934 29.700 0.131 0.000 0.750 248 E HN 0.428 nan 8.360 nan 0.000 0.477 249 L N 1.737 122.908 121.223 -0.087 0.000 2.295 249 L HA 0.399 4.739 4.340 -0.000 0.000 0.285 249 L C -0.373 176.434 176.870 -0.106 0.000 1.035 249 L CA -0.423 54.318 54.840 -0.165 0.000 0.806 249 L CB 1.031 42.914 42.059 -0.293 0.000 1.214 249 L HN -0.042 nan 8.230 nan 0.000 0.426 250 L N 3.727 124.886 121.223 -0.106 0.000 2.354 250 L HA 0.576 4.916 4.340 -0.000 0.000 0.264 250 L C -2.395 174.421 176.870 -0.090 0.000 1.008 250 L CA -2.195 52.597 54.840 -0.080 0.000 0.819 250 L CB 2.258 44.275 42.059 -0.069 0.000 1.339 250 L HN 0.291 nan 8.230 nan 0.000 0.420 251 P HA 0.069 nan 4.420 nan 0.000 0.265 251 P C 0.694 177.927 177.300 -0.111 0.000 1.187 251 P CA 0.948 64.010 63.100 -0.063 0.000 0.766 251 P CB 0.650 32.329 31.700 -0.034 0.000 0.820 252 G N 1.401 110.119 108.800 -0.138 0.000 2.234 252 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 252 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 252 G C 0.245 174.882 174.900 -0.437 0.000 0.997 252 G CA -0.201 44.749 45.100 -0.250 0.000 0.623 252 G HN 0.464 nan 8.290 nan 0.000 0.514 253 M N 0.935 120.349 119.600 -0.309 0.000 2.251 253 M HA 0.386 4.866 4.480 -0.000 0.000 0.343 253 M C -0.241 175.888 176.300 -0.285 0.000 1.245 253 M CA 0.387 55.497 55.300 -0.317 0.000 1.061 253 M CB 0.092 32.577 32.600 -0.191 0.000 1.723 253 M HN 0.066 nan 8.290 nan 0.000 0.449 254 F N 3.379 123.276 119.950 -0.088 0.000 2.404 254 F HA 0.476 5.003 4.527 -0.000 0.000 0.358 254 F C 0.366 176.045 175.800 -0.202 0.000 1.120 254 F CA -0.853 57.068 58.000 -0.132 0.000 1.144 254 F CB 0.247 39.184 39.000 -0.104 0.000 1.133 254 F HN 0.320 nan 8.300 nan 0.000 0.495 255 V N 0.497 120.349 119.914 -0.102 0.000 3.119 255 V HA 0.726 4.846 4.120 -0.000 0.000 0.311 255 V C -1.411 174.407 176.094 -0.461 0.000 1.259 255 V CA -1.035 61.134 62.300 -0.218 0.000 1.067 255 V CB 2.372 34.120 31.823 -0.124 0.000 1.123 255 V HN 0.621 nan 8.190 nan 0.000 0.463 256 H N 0.041 119.127 119.070 0.026 0.000 2.782 256 H HA 0.852 5.408 4.556 -0.000 0.000 0.347 256 H C -0.085 175.280 175.328 0.061 0.000 1.038 256 H CA 0.298 56.373 56.048 0.045 0.000 1.255 256 H CB 1.629 31.414 29.762 0.038 0.000 1.623 256 H HN 1.158 nan 8.280 nan 0.000 0.525 257 A N 2.961 125.900 122.820 0.198 0.000 2.331 257 A HA 0.419 4.739 4.320 -0.000 0.000 0.283 257 A C -0.383 177.311 177.584 0.184 0.000 1.142 257 A CA -0.700 51.471 52.037 0.223 0.000 0.812 257 A CB 0.414 19.541 19.000 0.212 0.000 1.074 257 A HN 0.778 nan 8.150 nan 0.000 0.497 258 Q N 1.491 121.400 119.800 0.181 0.000 2.333 258 Q HA 0.538 4.878 4.340 -0.000 0.000 0.265 258 Q C -1.206 174.865 176.000 0.119 0.000 0.989 258 Q CA -0.176 55.705 55.803 0.131 0.000 0.842 258 Q CB 2.299 31.104 28.738 0.111 0.000 1.262 258 Q HN 0.703 nan 8.270 nan 0.000 0.451 259 L N 2.229 123.513 121.223 0.100 0.000 2.296 259 L HA 0.432 4.772 4.340 -0.000 0.000 0.286 259 L C -0.244 176.673 176.870 0.079 0.000 1.023 259 L CA -0.445 54.453 54.840 0.096 0.000 0.812 259 L CB 1.490 43.616 42.059 0.111 0.000 1.223 259 L HN 0.734 nan 8.230 nan 0.000 0.421 260 Q N 2.199 122.043 119.800 0.073 0.000 2.377 260 Q HA 0.454 4.794 4.340 -0.000 0.000 0.249 260 Q C 0.251 176.284 176.000 0.055 0.000 1.005 260 Q CA 0.074 55.912 55.803 0.057 0.000 0.912 260 Q CB 0.786 29.555 28.738 0.051 0.000 1.223 260 Q HN 0.821 nan 8.270 nan 0.000 0.459 261 E N 1.111 121.339 120.200 0.047 0.000 2.370 261 E HA 0.508 4.858 4.350 -0.000 0.000 0.194 261 E C 1.032 177.649 176.600 0.027 0.000 1.057 261 E CA 0.413 56.836 56.400 0.039 0.000 1.011 261 E CB -0.513 29.209 29.700 0.036 0.000 1.132 261 E HN 2.363 nan 8.360 nan 0.000 0.450 262 G N -1.835 106.981 108.800 0.027 0.000 2.829 262 G HA2 0.285 4.245 3.960 -0.000 0.000 0.628 262 G HA3 0.285 4.245 3.960 -0.000 0.000 0.628 262 G C 0.234 175.144 174.900 0.017 0.000 1.412 262 G CA -0.153 44.960 45.100 0.020 0.000 0.864 262 G HN 1.529 nan 8.290 nan 0.000 0.544 263 V N -0.588 119.334 119.914 0.014 0.000 2.459 263 V HA 1.015 5.135 4.120 -0.000 0.000 0.295 263 V C 0.591 176.691 176.094 0.009 0.000 1.029 263 V CA 0.297 62.605 62.300 0.012 0.000 0.874 263 V CB 1.127 32.957 31.823 0.011 0.000 0.985 263 V HN 2.086 nan 8.190 nan 0.000 0.438 264 K N 3.181 123.586 120.400 0.008 0.000 2.276 264 K HA 0.633 4.953 4.320 -0.000 0.000 0.285 264 K C 0.969 177.572 176.600 0.005 0.000 1.062 264 K CA 0.442 56.733 56.287 0.006 0.000 0.918 264 K CB 0.388 32.892 32.500 0.006 0.000 1.055 264 K HN 1.852 nan 8.250 nan 0.000 0.477 265 Q N 0.993 120.795 119.800 0.005 0.000 1.943 265 Q HA 0.116 4.456 4.340 -0.000 0.000 0.213 265 Q C 1.318 177.321 176.000 0.004 0.000 1.017 265 Q CA 2.926 58.731 55.803 0.004 0.000 0.874 265 Q CB -0.983 27.757 28.738 0.003 0.000 0.960 265 Q HN 1.849 nan 8.270 nan 0.000 0.417 266 K N -1.302 119.100 120.400 0.003 0.000 2.616 266 K HA 0.777 5.097 4.320 -0.000 0.000 0.255 266 K C -0.671 175.930 176.600 0.002 0.000 0.995 266 K CA 0.110 56.398 56.287 0.003 0.000 0.860 266 K CB 0.918 33.419 32.500 0.002 0.000 1.264 266 K HN 1.567 nan 8.250 nan 0.000 0.451 267 A N 0.478 123.299 122.820 0.003 0.000 2.486 267 A HA 0.983 5.303 4.320 -0.000 0.000 0.289 267 A C -0.118 177.467 177.584 0.002 0.000 1.176 267 A CA -0.055 51.983 52.037 0.002 0.000 0.757 267 A CB 0.811 19.812 19.000 0.002 0.000 1.337 267 A HN 2.246 nan 8.150 nan 0.000 0.423 268 I N -0.733 119.839 120.570 0.002 0.000 2.331 268 I HA 0.713 4.883 4.170 -0.000 0.000 0.292 268 I C 0.207 176.325 176.117 0.002 0.000 0.998 268 I CA -0.240 61.061 61.300 0.002 0.000 1.267 268 I CB 0.312 38.313 38.000 0.001 0.000 1.386 268 I HN 1.664 nan 8.210 nan 0.000 0.476 269 L N 5.246 126.470 121.223 0.002 0.000 2.426 269 L HA 0.916 5.256 4.340 -0.000 0.000 0.255 269 L C 0.724 177.595 176.870 0.002 0.000 1.080 269 L CA -0.453 54.389 54.840 0.002 0.000 0.960 269 L CB -0.098 41.962 42.059 0.002 0.000 1.326 269 L HN 1.881 nan 8.230 nan 0.000 0.441 270 A N 3.361 126.182 122.820 0.002 0.000 2.396 270 A HA 0.658 4.978 4.320 -0.000 0.000 0.279 270 A C -2.109 175.476 177.584 0.001 0.000 1.165 270 A CA -1.166 50.872 52.037 0.001 0.000 0.824 270 A CB -0.504 18.497 19.000 0.001 0.000 1.100 270 A HN 0.661 nan 8.150 nan 0.000 0.516 271 P HA 0.247 nan 4.420 nan 0.000 0.266 271 P C 1.152 178.453 177.300 0.001 0.000 1.195 271 P CA 0.694 63.795 63.100 0.001 0.000 0.768 271 P CB 0.585 32.286 31.700 0.001 0.000 0.838 272 Q N 1.929 121.730 119.800 0.001 0.000 2.364 272 Q HA -0.135 4.205 4.340 -0.000 0.000 0.209 272 Q C 2.178 178.178 176.000 0.001 0.000 0.977 272 Q CA 2.203 58.007 55.803 0.001 0.000 0.885 272 Q CB -1.689 27.050 28.738 0.001 0.000 0.941 272 Q HN 0.641 nan 8.270 nan 0.000 0.464 273 Q N -0.097 119.703 119.800 0.001 0.000 2.541 273 Q HA 0.353 4.693 4.340 -0.000 0.000 0.215 273 Q C 1.610 177.610 176.000 0.000 0.000 0.977 273 Q CA 1.022 56.825 55.803 0.001 0.000 0.934 273 Q CB -0.302 28.437 28.738 0.000 0.000 0.988 273 Q HN 0.971 nan 8.270 nan 0.000 0.521 274 G N -2.001 106.799 108.800 0.001 0.000 4.658 274 G HA2 0.535 4.495 3.960 -0.000 0.000 0.279 274 G HA3 0.535 4.495 3.960 -0.000 0.000 0.279 274 G C -0.115 174.786 174.900 0.000 0.000 0.997 274 G CA 0.702 45.803 45.100 0.000 0.000 0.765 274 G HN 1.126 nan 8.290 nan 0.000 0.442 275 V N -1.114 118.800 119.914 0.000 0.000 3.049 275 V HA 1.046 5.167 4.120 -0.000 0.000 0.309 275 V C -0.165 175.930 176.094 0.000 0.000 1.148 275 V CA -0.325 61.975 62.300 0.000 0.000 0.990 275 V CB 1.805 33.628 31.823 0.001 0.000 1.039 275 V HN 0.565 nan 8.190 nan 0.000 0.430 276 T N 1.088 115.642 114.554 0.000 0.000 2.896 276 T HA 1.023 5.373 4.350 -0.000 0.000 0.297 276 T C -0.190 174.510 174.700 0.000 0.000 1.108 276 T CA -0.179 61.921 62.100 0.000 0.000 1.004 276 T CB 1.327 70.195 68.868 0.000 0.000 1.159 276 T HN 2.088 nan 8.240 nan 0.000 0.499 277 R N 1.129 121.629 120.500 0.000 0.000 2.363 277 R HA 0.737 5.077 4.340 -0.000 0.000 0.297 277 R C -0.181 176.119 176.300 -0.000 0.000 1.208 277 R CA 0.132 56.233 56.100 0.000 0.000 1.121 277 R CB -1.049 29.251 30.300 0.000 0.000 1.124 277 R HN 1.258 nan 8.270 nan 0.000 0.561 278 D N -0.144 120.256 120.400 -0.000 0.000 2.341 278 D HA 0.690 5.330 4.640 -0.000 0.000 0.245 278 D C 1.601 177.901 176.300 -0.000 0.000 1.106 278 D CA 0.465 54.465 54.000 -0.000 0.000 0.905 278 D CB 1.082 41.882 40.800 -0.000 0.000 1.202 278 D HN 2.185 nan 8.370 nan 0.000 0.426 279 L N -1.773 119.450 121.223 -0.000 0.000 4.696 279 L HA 0.222 4.562 4.340 -0.000 0.000 0.425 279 L C 2.093 178.963 176.870 -0.000 0.000 1.115 279 L CA 2.295 57.135 54.840 -0.001 0.000 0.996 279 L CB -3.045 39.014 42.059 -0.001 0.000 2.077 279 L HN 2.830 nan 8.230 nan 0.000 0.792 280 K N -2.612 117.788 120.400 -0.000 0.000 3.244 280 K HA 0.385 4.705 4.320 -0.000 0.000 0.270 280 K C 1.511 178.111 176.600 -0.000 0.000 1.016 280 K CA 2.557 58.844 56.287 0.000 0.000 0.754 280 K CB -2.326 30.174 32.500 0.000 0.000 1.326 280 K HN 3.192 nan 8.250 nan 0.000 0.465 281 G N -2.392 106.408 108.800 -0.000 0.000 4.371 281 G HA2 0.548 4.508 3.960 -0.000 0.000 0.160 281 G HA3 0.548 4.508 3.960 -0.000 0.000 0.160 281 G C 0.770 175.669 174.900 -0.001 0.000 1.271 281 G CA 0.847 45.946 45.100 -0.000 0.000 0.982 281 G HN 1.997 nan 8.290 nan 0.000 0.318 282 Q N 0.454 120.254 119.800 -0.001 0.000 2.269 282 Q HA 0.619 4.959 4.340 -0.000 0.000 0.300 282 Q C 0.233 176.233 176.000 -0.001 0.000 1.070 282 Q CA 0.707 56.509 55.803 -0.001 0.000 0.957 282 Q CB 0.031 28.769 28.738 -0.001 0.000 1.131 282 Q HN 2.009 nan 8.270 nan 0.000 0.377 283 A N 2.524 125.344 122.820 -0.001 0.000 2.260 283 A HA 0.823 5.143 4.320 -0.000 0.000 0.308 283 A C 0.524 178.108 177.584 -0.000 0.000 1.254 283 A CA 0.402 52.439 52.037 -0.000 0.000 0.874 283 A CB 0.405 19.405 19.000 -0.000 0.000 1.153 283 A HN 1.651 nan 8.150 nan 0.000 0.527 284 T N 0.461 115.015 114.554 -0.000 0.000 2.861 284 T HA 0.803 5.153 4.350 -0.000 0.000 0.287 284 T C -0.237 174.463 174.700 -0.000 0.000 1.003 284 T CA -0.037 62.063 62.100 -0.000 0.000 0.977 284 T CB 1.260 70.128 68.868 -0.000 0.000 0.996 284 T HN 1.822 nan 8.240 nan 0.000 0.448 285 A N 0.717 123.537 122.820 -0.000 0.000 2.435 285 A HA 1.043 5.363 4.320 -0.000 0.000 0.296 285 A C -0.539 177.045 177.584 -0.000 0.000 1.147 285 A CA -0.235 51.802 52.037 0.000 0.000 0.775 285 A CB 0.807 19.807 19.000 0.000 0.000 1.340 285 A HN 2.226 nan 8.150 nan 0.000 0.427 286 L N 0.163 121.386 121.223 0.000 0.000 2.372 286 L HA 0.901 5.241 4.340 -0.000 0.000 0.273 286 L C -0.197 176.673 176.870 0.000 0.000 0.989 286 L CA -0.273 54.567 54.840 -0.000 0.000 0.841 286 L CB 0.176 42.235 42.059 -0.000 0.000 1.225 286 L HN 1.940 nan 8.230 nan 0.000 0.414 287 V N 1.713 121.627 119.914 0.000 0.000 3.074 287 V HA 0.979 5.099 4.120 -0.000 0.000 0.314 287 V C 0.273 176.367 176.094 0.000 0.000 1.117 287 V CA -0.529 61.771 62.300 0.000 0.000 1.014 287 V CB 1.907 33.730 31.823 0.000 0.000 1.057 287 V HN 2.129 nan 8.190 nan 0.000 0.438 288 V N 2.097 122.012 119.914 0.000 0.000 2.370 288 V HA 0.742 4.862 4.120 -0.000 0.000 0.283 288 V C 0.332 176.426 176.094 0.000 0.000 1.023 288 V CA -0.243 62.057 62.300 0.000 0.000 0.857 288 V CB 0.502 32.325 31.823 0.000 0.000 0.985 288 V HN 1.578 nan 8.190 nan 0.000 0.443 289 N N 2.979 121.679 118.700 -0.000 0.000 2.285 289 N HA 0.533 5.273 4.740 -0.000 0.000 0.262 289 N C 1.596 177.106 175.510 0.000 0.000 1.299 289 N CA 0.499 53.549 53.050 -0.000 0.000 0.930 289 N CB 0.576 39.063 38.487 -0.000 0.000 1.157 289 N HN 1.850 nan 8.380 nan 0.000 0.532 290 A N -1.607 121.213 122.820 0.000 0.000 2.019 290 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 290 A C 2.323 179.907 177.584 0.000 0.000 1.164 290 A CA 2.398 54.435 52.037 0.000 0.000 0.644 290 A CB -1.101 17.899 19.000 0.000 0.000 0.805 290 A HN 1.317 nan 8.150 nan 0.000 0.449 291 Q N -1.117 118.683 119.800 -0.000 0.000 2.265 291 Q HA 0.342 4.682 4.340 -0.000 0.000 0.217 291 Q C 0.862 176.861 176.000 -0.000 0.000 0.916 291 Q CA 1.620 57.423 55.803 -0.000 0.000 0.948 291 Q CB -2.222 26.516 28.738 -0.000 0.000 1.020 291 Q HN 1.919 nan 8.270 nan 0.000 0.462 292 N N -2.345 116.355 118.700 0.000 0.000 2.650 292 N HA -0.121 4.619 4.740 -0.000 0.000 0.249 292 N C 0.476 175.986 175.510 -0.000 0.000 1.155 292 N CA 2.129 55.179 53.050 0.000 0.000 0.747 292 N CB -2.500 35.987 38.487 0.000 0.000 1.132 292 N HN 1.612 nan 8.380 nan 0.000 0.564 293 K N -0.642 119.758 120.400 -0.000 0.000 2.164 293 K HA 1.018 5.338 4.320 -0.000 0.000 0.258 293 K C 0.457 177.057 176.600 -0.000 0.000 0.951 293 K CA 0.136 56.423 56.287 -0.000 0.000 0.844 293 K CB 0.980 33.480 32.500 -0.000 0.000 1.099 293 K HN 1.865 nan 8.250 nan 0.000 0.435 294 V N 0.415 120.329 119.914 -0.000 0.000 2.649 294 V HA 0.754 4.874 4.120 -0.000 0.000 0.292 294 V C 0.425 176.519 176.094 -0.000 0.000 1.055 294 V CA 0.257 62.557 62.300 -0.000 0.000 1.023 294 V CB 0.497 32.320 31.823 -0.000 0.000 0.992 294 V HN 1.242 nan 8.190 nan 0.000 0.480 295 E N 2.138 122.338 120.200 -0.000 0.000 2.404 295 E HA 0.981 5.331 4.350 -0.000 0.000 0.264 295 E C -0.659 175.941 176.600 -0.000 0.000 0.946 295 E CA -0.169 56.231 56.400 -0.000 0.000 0.806 295 E CB 1.706 31.406 29.700 -0.000 0.000 1.334 295 E HN 2.515 nan 8.360 nan 0.000 0.429 296 L N 0.218 121.441 121.223 -0.000 0.000 2.401 296 L HA 0.950 5.290 4.340 -0.000 0.000 0.263 296 L C 0.324 177.193 176.870 -0.000 0.000 1.004 296 L CA -0.224 54.616 54.840 -0.000 0.000 0.881 296 L CB 0.021 42.080 42.059 -0.000 0.000 1.219 296 L HN 1.314 nan 8.230 nan 0.000 0.441 297 R N 2.148 122.648 120.500 -0.000 0.000 2.460 297 R HA 0.954 5.294 4.340 -0.000 0.000 0.303 297 R C -0.104 176.196 176.300 -0.000 0.000 0.968 297 R CA 0.106 56.206 56.100 -0.000 0.000 0.889 297 R CB 0.983 31.283 30.300 -0.000 0.000 1.123 297 R HN 2.344 nan 8.270 nan 0.000 0.455 298 V N 1.450 121.364 119.914 -0.001 0.000 2.408 298 V HA 0.723 4.843 4.120 -0.000 0.000 0.267 298 V C 0.877 176.971 176.094 -0.001 0.000 1.047 298 V CA -0.103 62.196 62.300 -0.001 0.000 0.937 298 V CB 0.477 32.300 31.823 -0.001 0.000 0.999 298 V HN 1.334 nan 8.190 nan 0.000 0.472 299 I N 3.645 124.215 120.570 -0.001 0.000 2.783 299 I HA 0.922 5.092 4.170 -0.000 0.000 0.312 299 I C 0.615 176.732 176.117 -0.001 0.000 0.988 299 I CA -0.561 60.738 61.300 -0.001 0.000 1.182 299 I CB 1.030 39.030 38.000 -0.000 0.000 1.368 299 I HN 1.029 nan 8.210 nan 0.000 0.511 300 K N 3.458 123.857 120.400 -0.001 0.000 2.961 300 K HA 0.837 5.157 4.320 -0.000 0.000 0.187 300 K C -0.105 176.494 176.600 -0.001 0.000 1.110 300 K CA 0.144 56.430 56.287 -0.001 0.000 0.968 300 K CB 0.412 32.911 32.500 -0.002 0.000 1.287 300 K HN 2.397 nan 8.250 nan 0.000 0.578 301 A N 0.422 123.242 122.820 -0.000 0.000 2.276 301 A HA 0.603 4.923 4.320 -0.000 0.000 0.300 301 A C 0.941 178.525 177.584 0.001 0.000 1.235 301 A CA 0.436 52.474 52.037 0.001 0.000 0.867 301 A CB -0.098 18.902 19.000 0.001 0.000 1.137 301 A HN 0.744 nan 8.150 nan 0.000 0.527 302 D N 1.782 122.182 120.400 0.001 0.000 2.856 302 D HA 0.400 5.040 4.640 -0.000 0.000 0.283 302 D C 1.389 177.692 176.300 0.004 0.000 1.051 302 D CA 1.124 55.125 54.000 0.002 0.000 0.965 302 D CB -0.370 40.431 40.800 0.000 0.000 1.201 302 D HN 1.043 nan 8.370 nan 0.000 0.474 303 R N -0.924 119.579 120.500 0.005 0.000 2.747 303 R HA 0.814 5.154 4.340 -0.000 0.000 0.278 303 R C 0.305 176.609 176.300 0.006 0.000 1.153 303 R CA 0.445 56.549 56.100 0.007 0.000 1.206 303 R CB -0.655 29.650 30.300 0.008 0.000 1.161 303 R HN 1.548 nan 8.270 nan 0.000 0.589 304 V N -1.042 118.876 119.914 0.008 0.000 2.559 304 V HA 0.659 4.779 4.120 -0.000 0.000 0.289 304 V C -0.142 175.956 176.094 0.007 0.000 1.036 304 V CA -0.202 62.102 62.300 0.007 0.000 0.887 304 V CB 1.171 32.998 31.823 0.006 0.000 1.022 304 V HN 1.560 nan 8.190 nan 0.000 0.442 305 I N 3.767 124.340 120.570 0.006 0.000 2.328 305 I HA 0.882 5.052 4.170 -0.000 0.000 0.287 305 I C 1.285 177.404 176.117 0.004 0.000 1.012 305 I CA 0.405 61.709 61.300 0.005 0.000 1.195 305 I CB 0.473 38.477 38.000 0.005 0.000 1.350 305 I HN 2.512 nan 8.210 nan 0.000 0.464 306 G N 3.301 112.102 108.800 0.003 0.000 3.729 306 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.327 306 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.327 306 G C 0.688 175.588 174.900 0.001 0.000 1.293 306 G CA 1.544 46.645 45.100 0.001 0.000 1.011 306 G HN 2.188 nan 8.290 nan 0.000 0.673 307 D N -0.241 120.160 120.400 0.001 0.000 2.525 307 D HA 0.706 5.346 4.640 -0.000 0.000 0.231 307 D C 0.898 177.199 176.300 0.002 0.000 1.216 307 D CA 1.649 55.650 54.000 0.001 0.000 0.813 307 D CB -0.129 40.671 40.800 0.001 0.000 1.108 307 D HN 1.313 nan 8.370 nan 0.000 0.524 308 K N -1.177 119.224 120.400 0.002 0.000 2.185 308 K HA 0.790 5.110 4.320 -0.000 0.000 0.240 308 K C -0.392 176.210 176.600 0.003 0.000 0.983 308 K CA -0.121 56.167 56.287 0.002 0.000 0.873 308 K CB 0.402 32.903 32.500 0.002 0.000 1.118 308 K HN 1.158 nan 8.250 nan 0.000 0.441 309 W N -0.197 121.105 121.300 0.002 0.000 2.532 309 W HA 0.626 5.286 4.660 -0.000 0.000 0.321 309 W C 0.039 176.559 176.519 0.003 0.000 1.037 309 W CA -0.797 56.550 57.345 0.003 0.000 1.220 309 W CB -0.331 29.130 29.460 0.002 0.000 1.361 309 W HN 1.328 nan 8.180 nan 0.000 0.468 310 L N 3.012 124.237 121.223 0.003 0.000 2.454 310 L HA 0.625 4.965 4.340 -0.000 0.000 0.284 310 L C 0.448 177.320 176.870 0.002 0.000 1.139 310 L CA -0.116 54.726 54.840 0.003 0.000 0.911 310 L CB -0.584 41.477 42.059 0.004 0.000 1.262 310 L HN 1.848 nan 8.230 nan 0.000 0.453 311 V N 3.332 123.247 119.914 0.002 0.000 2.415 311 V HA 0.541 4.661 4.120 -0.000 0.000 0.267 311 V C 1.391 177.485 176.094 0.001 0.000 1.042 311 V CA 0.643 62.943 62.300 0.001 0.000 1.000 311 V CB -0.235 31.589 31.823 0.001 0.000 1.015 311 V HN 1.141 nan 8.190 nan 0.000 0.478 312 T N 2.967 117.521 114.554 0.000 0.000 2.896 312 T HA 0.468 4.818 4.350 -0.000 0.000 0.263 312 T C 0.831 175.530 174.700 -0.001 0.000 1.050 312 T CA 2.011 64.111 62.100 -0.000 0.000 1.140 312 T CB -0.025 68.842 68.868 -0.001 0.000 0.877 312 T HN 1.775 nan 8.240 nan 0.000 0.457 313 E N -0.762 119.438 120.200 -0.001 0.000 2.454 313 E HA 0.544 4.894 4.350 -0.000 0.000 0.315 313 E C 0.199 176.799 176.600 -0.001 0.000 0.907 313 E CA 0.025 56.425 56.400 -0.001 0.000 0.797 313 E CB 0.438 30.137 29.700 -0.002 0.000 1.396 313 E HN 0.988 nan 8.360 nan 0.000 0.389 314 G N -0.998 107.801 108.800 -0.001 0.000 3.897 314 G HA2 0.530 4.490 3.960 -0.000 0.000 0.207 314 G HA3 0.530 4.490 3.960 -0.000 0.000 0.207 314 G C 0.283 175.183 174.900 -0.000 0.000 0.872 314 G CA 0.749 45.849 45.100 -0.000 0.000 0.872 314 G HN 1.929 nan 8.290 nan 0.000 0.442 315 L N 0.302 121.525 121.223 -0.000 0.000 2.476 315 L HA 0.935 5.275 4.340 -0.000 0.000 0.269 315 L C -0.037 176.833 176.870 0.000 0.000 0.965 315 L CA 0.278 55.118 54.840 0.000 0.000 0.845 315 L CB 0.196 42.255 42.059 0.000 0.000 1.259 315 L HN 0.981 nan 8.230 nan 0.000 0.403 316 N N 1.420 120.120 118.700 0.000 0.000 2.405 316 N HA 0.925 5.665 4.740 -0.000 0.000 0.269 316 N C 0.693 176.203 175.510 0.000 0.000 1.249 316 N CA -0.151 52.899 53.050 0.000 0.000 0.974 316 N CB 0.912 39.399 38.487 0.000 0.000 1.204 316 N HN 2.374 nan 8.380 nan 0.000 0.565 317 A N -1.392 121.428 122.820 0.001 0.000 2.451 317 A HA 0.573 4.893 4.320 -0.000 0.000 0.266 317 A C 1.619 179.204 177.584 0.001 0.000 1.119 317 A CA 0.879 52.916 52.037 0.001 0.000 0.786 317 A CB -0.921 18.079 19.000 0.001 0.000 1.061 317 A HN 2.396 nan 8.150 nan 0.000 0.503 318 G N 0.839 109.640 108.800 0.001 0.000 2.491 318 G HA2 0.144 4.104 3.960 -0.000 0.000 0.203 318 G HA3 0.144 4.104 3.960 -0.000 0.000 0.203 318 G C 0.539 175.439 174.900 0.000 0.000 1.052 318 G CA 0.524 45.625 45.100 0.001 0.000 0.675 318 G HN 1.663 nan 8.290 nan 0.000 0.504 319 D N 0.920 121.321 120.400 0.000 0.000 2.567 319 D HA 0.555 5.195 4.640 -0.000 0.000 0.228 319 D C 0.406 176.706 176.300 0.000 0.000 1.185 319 D CA 1.909 55.910 54.000 0.000 0.000 0.874 319 D CB -0.174 40.626 40.800 0.000 0.000 1.219 319 D HN 1.737 nan 8.370 nan 0.000 0.494 320 K N -0.590 119.810 120.400 0.000 0.000 2.293 320 K HA 0.734 5.054 4.320 -0.000 0.000 0.267 320 K C 0.057 176.657 176.600 0.000 0.000 1.010 320 K CA 0.128 56.415 56.287 0.000 0.000 0.875 320 K CB 0.583 33.083 32.500 0.000 0.000 1.106 320 K HN 1.804 nan 8.250 nan 0.000 0.450 321 I N 1.114 121.684 120.570 0.000 0.000 2.315 321 I HA 0.735 4.905 4.170 -0.000 0.000 0.291 321 I C 0.785 176.902 176.117 0.000 0.000 1.006 321 I CA -0.928 60.372 61.300 0.000 0.000 1.265 321 I CB 0.181 38.181 38.000 0.000 0.000 1.387 321 I HN 1.106 nan 8.210 nan 0.000 0.475 322 I N 4.607 125.177 120.570 0.000 0.000 2.421 322 I HA 0.686 4.856 4.170 -0.000 0.000 0.291 322 I C 1.050 177.168 176.117 0.000 0.000 1.089 322 I CA 0.441 61.741 61.300 0.000 0.000 1.354 322 I CB -0.379 37.621 38.000 0.000 0.000 1.413 322 I HN 1.209 nan 8.210 nan 0.000 0.513 323 T N 3.096 117.650 114.554 0.000 0.000 3.082 323 T HA 0.533 4.883 4.350 -0.000 0.000 0.235 323 T C 1.243 175.943 174.700 0.000 0.000 0.991 323 T CA 0.984 63.084 62.100 0.000 0.000 1.220 323 T CB -0.187 68.682 68.868 0.000 0.000 0.909 323 T HN 1.398 nan 8.240 nan 0.000 0.424 324 E N 0.930 121.130 120.200 0.000 0.000 1.986 324 E HA 0.544 4.894 4.350 -0.000 0.000 0.264 324 E C 0.696 177.296 176.600 0.000 0.000 1.023 324 E CA -0.288 56.112 56.400 0.000 0.000 0.834 324 E CB -0.483 29.217 29.700 0.000 0.000 1.111 324 E HN 1.219 nan 8.360 nan 0.000 0.417 325 G N -0.812 107.988 108.800 0.000 0.000 3.987 325 G HA2 0.186 4.146 3.960 -0.000 0.000 0.220 325 G HA3 0.186 4.146 3.960 -0.000 0.000 0.220 325 G C 1.424 176.324 174.900 0.000 0.000 0.871 325 G CA 0.424 45.524 45.100 0.000 0.000 0.881 325 G HN 1.505 nan 8.290 nan 0.000 0.674 326 L N 0.426 121.649 121.223 0.000 0.000 2.610 326 L HA 0.672 5.011 4.340 -0.000 0.000 0.232 326 L C 2.584 179.454 176.870 -0.000 0.000 1.149 326 L CA 2.695 57.535 54.840 0.000 0.000 0.872 326 L CB -1.918 40.141 42.059 0.000 0.000 0.992 326 L HN 0.807 nan 8.230 nan 0.000 0.447 327 Q N -1.067 118.733 119.800 -0.000 0.000 2.364 327 Q HA 0.310 4.650 4.340 -0.000 0.000 0.209 327 Q C 1.064 177.064 176.000 -0.000 0.000 0.977 327 Q CA 2.132 57.935 55.803 -0.000 0.000 0.885 327 Q CB -1.137 27.601 28.738 -0.000 0.000 0.941 327 Q HN 2.122 nan 8.270 nan 0.000 0.464 328 F N -2.952 116.998 119.950 -0.000 0.000 3.482 328 F HA 0.664 5.191 4.527 -0.000 0.000 0.383 328 F C -0.365 175.435 175.800 -0.000 0.000 1.242 328 F CA -0.656 57.343 58.000 -0.000 0.000 1.339 328 F CB 0.059 39.059 39.000 -0.000 0.000 1.855 328 F HN 0.794 nan 8.300 nan 0.000 0.731 329 V N -0.627 119.287 119.914 -0.000 0.000 3.130 329 V HA 1.125 5.245 4.120 -0.000 0.000 0.308 329 V C -0.594 175.500 176.094 -0.000 0.000 1.572 329 V CA -0.265 62.035 62.300 -0.000 0.000 1.012 329 V CB 0.979 32.802 31.823 -0.000 0.000 1.052 329 V HN 2.616 nan 8.190 nan 0.000 0.478 330 Q N 0.448 120.248 119.800 -0.000 0.000 2.617 330 Q HA 0.687 5.027 4.340 -0.000 0.000 0.270 330 Q C -3.226 172.774 176.000 -0.000 0.000 0.967 330 Q CA -0.541 55.262 55.803 -0.000 0.000 0.887 330 Q CB 0.798 29.536 28.738 -0.000 0.000 1.516 330 Q HN 1.400 nan 8.270 nan 0.000 0.395 331 P HA 0.576 nan 4.420 nan 0.000 0.280 331 P C 0.814 178.114 177.300 -0.000 0.000 1.244 331 P CA 1.115 64.215 63.100 -0.000 0.000 0.784 331 P CB 1.060 32.760 31.700 -0.000 0.000 0.913 332 G N 0.002 108.802 108.800 -0.000 0.000 2.168 332 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.197 332 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.197 332 G C -0.119 174.781 174.900 -0.000 0.000 0.997 332 G CA -0.168 44.932 45.100 -0.000 0.000 0.658 332 G HN 0.822 nan 8.290 nan 0.000 0.513 333 V N -1.228 118.686 119.914 -0.000 0.000 2.919 333 V HA 1.030 5.150 4.120 -0.000 0.000 0.316 333 V C 0.102 176.196 176.094 -0.000 0.000 1.077 333 V CA 0.212 62.511 62.300 -0.000 0.000 0.977 333 V CB 1.452 33.275 31.823 -0.000 0.000 1.039 333 V HN 1.270 nan 8.190 nan 0.000 0.441 334 E N 0.648 120.848 120.200 -0.000 0.000 2.250 334 E HA 0.996 5.346 4.350 -0.000 0.000 0.265 334 E C -0.333 176.267 176.600 -0.000 0.000 1.033 334 E CA 0.055 56.455 56.400 -0.000 0.000 0.888 334 E CB 1.537 31.237 29.700 -0.000 0.000 1.151 334 E HN 2.661 nan 8.360 nan 0.000 0.412 335 V N -2.332 117.582 119.914 -0.000 0.000 3.187 335 V HA 0.933 5.053 4.120 -0.000 0.000 0.303 335 V C -0.012 176.083 176.094 0.000 0.000 1.529 335 V CA -0.451 61.849 62.300 0.000 0.000 1.042 335 V CB 0.937 32.760 31.823 0.000 0.000 1.089 335 V HN 1.168 nan 8.190 nan 0.000 0.471 336 K N 0.276 120.676 120.400 0.000 0.000 2.123 336 K HA 0.938 5.258 4.320 -0.000 0.000 0.259 336 K C 0.101 176.701 176.600 0.000 0.000 0.960 336 K CA -0.006 56.281 56.287 0.000 0.000 0.872 336 K CB 1.028 33.528 32.500 0.000 0.000 1.079 336 K HN 2.638 nan 8.250 nan 0.000 0.440 337 T N 0.443 114.997 114.554 0.000 0.000 2.832 337 T HA 0.592 4.942 4.350 -0.000 0.000 0.313 337 T C -0.071 174.629 174.700 0.000 0.000 1.035 337 T CA 0.003 62.103 62.100 0.000 0.000 0.950 337 T CB -0.424 68.444 68.868 0.000 0.000 0.984 337 T HN 1.564 nan 8.240 nan 0.000 0.486 338 V N 4.302 124.216 119.914 0.000 0.000 2.326 338 V HA 0.674 4.794 4.120 -0.000 0.000 0.281 338 V C -2.106 173.988 176.094 0.000 0.000 1.015 338 V CA -2.231 60.069 62.300 0.000 0.000 0.823 338 V CB 0.710 32.533 31.823 0.000 0.000 1.009 338 V HN 0.642 nan 8.190 nan 0.000 0.436 339 P HA 0.000 nan 4.420 nan 0.000 0.216 339 P CA 0.000 63.100 63.100 0.000 0.000 0.800 339 P CB 0.000 31.700 31.700 0.000 0.000 0.726