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 3oe7_1_N DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.605 174.600 0.008 0.000 1.055 6 S CA 0.000 58.204 58.200 0.006 0.000 1.107 6 S CB 0.000 63.203 63.200 0.004 0.000 0.593 7 T N 4.984 119.543 114.554 0.009 0.000 3.155 7 T HA 0.536 4.886 4.350 -0.000 0.000 0.384 7 T C -3.061 171.650 174.700 0.018 0.000 1.351 7 T CA -1.000 61.108 62.100 0.013 0.000 1.198 7 T CB 1.186 70.060 68.868 0.010 0.000 1.106 7 T HN 0.253 nan 8.240 nan 0.000 0.564 8 P HA 0.266 nan 4.420 nan 0.000 0.267 8 P C -0.311 177.018 177.300 0.047 0.000 1.328 8 P CA -0.411 62.707 63.100 0.030 0.000 0.990 8 P CB -0.112 31.603 31.700 0.025 0.000 1.168 9 I N 2.354 122.959 120.570 0.059 0.000 2.574 9 I HA 0.022 4.192 4.170 -0.000 0.000 0.291 9 I C 1.082 177.310 176.117 0.185 0.000 1.131 9 I CA 0.813 62.173 61.300 0.099 0.000 1.352 9 I CB -0.383 37.651 38.000 0.057 0.000 1.431 9 I HN 0.181 nan 8.210 nan 0.000 0.543 10 T N 4.617 119.271 114.554 0.167 0.000 2.895 10 T HA 0.731 5.081 4.350 -0.000 0.000 0.283 10 T C 0.291 174.980 174.700 -0.018 0.000 1.014 10 T CA -0.529 61.630 62.100 0.099 0.000 1.037 10 T CB 1.619 70.502 68.868 0.024 0.000 1.006 10 T HN 0.779 nan 8.240 nan 0.000 0.468 11 G N 1.590 110.190 108.800 -0.334 0.000 2.818 11 G HA2 0.738 4.697 3.960 -0.000 0.000 0.286 11 G HA3 0.738 4.697 3.960 -0.000 0.000 0.286 11 G C -1.610 173.046 174.900 -0.407 0.000 1.364 11 G CA -0.750 43.861 45.100 -0.815 0.000 0.938 11 G HN 0.574 nan 8.290 nan 0.000 0.490 12 K N -0.279 119.917 120.400 -0.340 0.000 2.371 12 K HA 0.513 4.833 4.320 -0.000 0.000 0.251 12 K C -0.782 175.737 176.600 -0.134 0.000 0.934 12 K CA -0.757 55.434 56.287 -0.161 0.000 0.798 12 K CB 2.995 35.450 32.500 -0.075 0.000 1.204 12 K HN 0.236 nan 8.250 nan 0.000 0.427 13 V N 2.889 122.747 119.914 -0.092 0.000 2.485 13 V HA -0.058 4.062 4.120 -0.000 0.000 0.287 13 V C 1.413 177.478 176.094 -0.050 0.000 1.022 13 V CA 0.754 63.017 62.300 -0.062 0.000 1.067 13 V CB 0.665 32.462 31.823 -0.044 0.000 0.967 13 V HN 1.074 nan 8.190 nan 0.000 0.479 14 T N 1.624 116.154 114.554 -0.040 0.000 3.018 14 T HA 0.489 4.839 4.350 -0.000 0.000 0.246 14 T C 0.479 175.160 174.700 -0.031 0.000 1.026 14 T CA 0.504 62.579 62.100 -0.041 0.000 1.081 14 T CB 0.493 69.336 68.868 -0.043 0.000 0.970 14 T HN 0.917 nan 8.240 nan 0.000 0.475 15 A N 0.613 123.420 122.820 -0.021 0.000 2.455 15 A HA 0.718 5.038 4.320 -0.000 0.000 0.300 15 A C -1.406 176.172 177.584 -0.011 0.000 1.040 15 A CA -0.664 51.364 52.037 -0.015 0.000 0.697 15 A CB 2.117 21.111 19.000 -0.010 0.000 1.265 15 A HN 0.264 nan 8.150 nan 0.000 0.407 16 V N 3.186 123.093 119.914 -0.010 0.000 2.447 16 V HA 0.489 4.609 4.120 -0.000 0.000 0.292 16 V C -0.881 175.210 176.094 -0.006 0.000 1.021 16 V CA -0.018 62.278 62.300 -0.007 0.000 0.850 16 V CB 1.124 32.941 31.823 -0.009 0.000 1.005 16 V HN 0.716 nan 8.190 nan 0.000 0.426 17 I N 4.630 125.198 120.570 -0.004 0.000 2.517 17 I HA 0.627 4.797 4.170 -0.000 0.000 0.280 17 I C 0.972 177.087 176.117 -0.003 0.000 1.061 17 I CA 0.097 61.395 61.300 -0.004 0.000 1.091 17 I CB 1.535 39.533 38.000 -0.003 0.000 1.205 17 I HN 0.801 nan 8.210 nan 0.000 0.459 18 G N 4.854 113.652 108.800 -0.004 0.000 2.629 18 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.313 18 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.313 18 G C 0.736 175.636 174.900 -0.001 0.000 1.217 18 G CA 0.486 45.584 45.100 -0.003 0.000 0.994 18 G HN 0.925 nan 8.290 nan 0.000 0.549 19 A N -0.422 122.397 122.820 -0.001 0.000 2.462 19 A HA 0.624 4.944 4.320 -0.000 0.000 0.261 19 A C 0.542 178.129 177.584 0.005 0.000 1.323 19 A CA 0.243 52.281 52.037 0.002 0.000 0.913 19 A CB -0.051 18.950 19.000 0.001 0.000 1.028 19 A HN 0.555 nan 8.150 nan 0.000 0.511 20 I N 0.888 121.460 120.570 0.004 0.000 2.378 20 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 20 I C -0.799 175.321 176.117 0.006 0.000 0.992 20 I CA -0.589 60.715 61.300 0.006 0.000 1.154 20 I CB 1.500 39.503 38.000 0.005 0.000 1.315 20 I HN -0.134 nan 8.210 nan 0.000 0.448 21 V N 5.673 125.593 119.914 0.010 0.000 2.577 21 V HA 0.369 4.488 4.120 -0.000 0.000 0.303 21 V C -0.918 175.183 176.094 0.012 0.000 1.042 21 V CA -0.743 61.561 62.300 0.007 0.000 0.872 21 V CB 2.439 34.266 31.823 0.007 0.000 0.998 21 V HN 0.566 nan 8.190 nan 0.000 0.423 22 D N 3.508 123.912 120.400 0.006 0.000 2.303 22 D HA 0.573 5.213 4.640 -0.000 0.000 0.236 22 D C -0.502 175.800 176.300 0.003 0.000 1.068 22 D CA -0.013 53.994 54.000 0.012 0.000 0.830 22 D CB 2.057 42.864 40.800 0.012 0.000 1.109 22 D HN 0.240 nan 8.370 nan 0.000 0.496 23 V N 2.697 122.617 119.914 0.012 0.000 2.555 23 V HA 0.257 4.377 4.120 -0.000 0.000 0.302 23 V C -0.058 176.017 176.094 -0.032 0.000 1.038 23 V CA -0.866 61.405 62.300 -0.049 0.000 0.887 23 V CB 1.989 33.762 31.823 -0.083 0.000 0.991 23 V HN 0.574 nan 8.190 nan 0.000 0.434 24 H N 3.280 122.207 119.070 -0.239 0.000 2.479 24 H HA 0.624 5.179 4.556 -0.000 0.000 0.335 24 H C -1.574 173.511 175.328 -0.406 0.000 1.142 24 H CA -0.242 55.699 56.048 -0.179 0.000 1.234 24 H CB 1.534 31.223 29.762 -0.122 0.000 1.503 24 H HN 0.506 nan 8.280 nan 0.000 0.510 25 F N 0.624 120.200 119.950 -0.622 0.000 2.876 25 F HA 0.265 4.792 4.527 -0.000 0.000 0.358 25 F C -0.016 175.454 175.800 -0.550 0.000 1.209 25 F CA -0.903 56.836 58.000 -0.435 0.000 1.051 25 F CB 1.106 39.964 39.000 -0.237 0.000 1.474 25 F HN 0.430 nan 8.300 nan 0.000 0.521 26 E N 0.497 120.691 120.200 -0.010 0.000 2.191 26 E HA 0.237 4.587 4.350 -0.000 0.000 0.274 26 E C -1.197 175.398 176.600 -0.009 0.000 0.948 26 E CA -0.771 55.608 56.400 -0.035 0.000 0.802 26 E CB 1.370 31.078 29.700 0.013 0.000 1.137 26 E HN 0.428 nan 8.360 nan 0.000 0.397 27 Q N 1.064 120.862 119.800 -0.004 0.000 3.801 27 Q HA -0.207 4.133 4.340 -0.000 0.000 0.358 27 Q C 0.256 176.255 176.000 -0.002 0.000 1.307 27 Q CA 1.075 56.881 55.803 0.005 0.000 1.060 27 Q CB -0.787 27.960 28.738 0.014 0.000 1.163 27 Q HN 0.774 nan 8.270 nan 0.000 0.522 28 S N 0.817 116.514 115.700 -0.004 0.000 3.462 28 S HA -0.317 4.153 4.470 -0.000 0.000 0.370 28 S C 0.414 174.994 174.600 -0.034 0.000 1.028 28 S CA 1.564 59.758 58.200 -0.009 0.000 1.119 28 S CB -0.789 62.412 63.200 0.002 0.000 0.906 28 S HN 0.878 nan 8.310 nan 0.000 0.471 29 E N -0.148 120.017 120.200 -0.059 0.000 2.789 29 E HA 0.353 4.702 4.350 -0.000 0.000 0.208 29 E C -0.126 176.327 176.600 -0.245 0.000 0.988 29 E CA -0.550 55.796 56.400 -0.091 0.000 1.092 29 E CB 0.165 29.846 29.700 -0.032 0.000 1.066 29 E HN 0.780 nan 8.360 nan 0.000 0.465 30 L N 2.863 123.924 121.223 -0.269 0.000 2.371 30 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 30 L C -1.806 174.811 176.870 -0.422 0.000 1.124 30 L CA -1.799 52.735 54.840 -0.510 0.000 0.816 30 L CB 0.276 42.160 42.059 -0.291 0.000 1.129 30 L HN 0.100 nan 8.230 nan 0.000 0.448 31 P HA 0.133 nan 4.420 nan 0.000 0.272 31 P C -0.634 176.642 177.300 -0.039 0.000 1.223 31 P CA -0.447 62.481 63.100 -0.287 0.000 0.784 31 P CB 0.822 32.344 31.700 -0.297 0.000 0.923 32 A N 3.091 125.915 122.820 0.008 0.000 2.366 32 A HA 0.284 4.603 4.320 -0.000 0.000 0.250 32 A C 0.751 178.396 177.584 0.101 0.000 1.099 32 A CA -0.574 51.503 52.037 0.066 0.000 0.794 32 A CB -0.422 18.566 19.000 -0.019 0.000 1.056 32 A HN 0.530 nan 8.150 nan 0.000 0.499 33 I N 0.453 121.060 120.570 0.062 0.000 2.813 33 I HA 0.019 4.189 4.170 -0.000 0.000 0.287 33 I C 0.591 176.675 176.117 -0.054 0.000 1.196 33 I CA 0.450 61.767 61.300 0.027 0.000 1.421 33 I CB 0.151 38.141 38.000 -0.018 0.000 1.365 33 I HN 0.711 nan 8.210 nan 0.000 0.591 34 L N 1.518 122.692 121.223 -0.080 0.000 5.044 34 L HA -0.256 4.084 4.340 -0.000 0.000 0.412 34 L C 0.108 176.938 176.870 -0.067 0.000 0.971 34 L CA 0.197 54.932 54.840 -0.175 0.000 1.411 34 L CB -1.850 39.947 42.059 -0.437 0.000 1.884 34 L HN 0.715 nan 8.230 nan 0.000 0.631 35 N N 1.225 119.912 118.700 -0.022 0.000 2.513 35 N HA 0.497 5.236 4.740 -0.000 0.000 0.268 35 N C 0.326 175.852 175.510 0.027 0.000 1.180 35 N CA 0.880 53.932 53.050 0.003 0.000 0.948 35 N CB 1.015 39.494 38.487 -0.013 0.000 1.083 35 N HN 0.312 nan 8.380 nan 0.000 0.455 36 A N 2.738 125.583 122.820 0.041 0.000 2.354 36 A HA 0.574 4.894 4.320 -0.000 0.000 0.269 36 A C -0.332 177.283 177.584 0.052 0.000 1.109 36 A CA -0.307 51.761 52.037 0.051 0.000 0.800 36 A CB 0.116 19.147 19.000 0.053 0.000 1.045 36 A HN 0.641 nan 8.150 nan 0.000 0.489 37 L N 1.129 122.389 121.223 0.062 0.000 2.333 37 L HA 0.680 5.020 4.340 -0.000 0.000 0.263 37 L C -0.212 176.694 176.870 0.059 0.000 1.014 37 L CA -0.595 54.292 54.840 0.078 0.000 0.820 37 L CB 2.162 44.289 42.059 0.114 0.000 1.352 37 L HN 0.763 nan 8.230 nan 0.000 0.421 38 E N 1.517 121.751 120.200 0.056 0.000 2.308 38 E HA 0.613 4.963 4.350 -0.000 0.000 0.275 38 E C -1.510 175.107 176.600 0.028 0.000 0.890 38 E CA -0.529 55.893 56.400 0.037 0.000 0.754 38 E CB 3.386 33.106 29.700 0.033 0.000 1.207 38 E HN 0.378 nan 8.360 nan 0.000 0.426 39 I N 2.341 122.922 120.570 0.018 0.000 2.498 39 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 39 I C -0.424 175.698 176.117 0.008 0.000 1.032 39 I CA -0.881 60.424 61.300 0.009 0.000 1.073 39 I CB 1.808 39.810 38.000 0.003 0.000 1.251 39 I HN 0.213 nan 8.210 nan 0.000 0.426 40 K N 4.546 124.950 120.400 0.005 0.000 2.412 40 K HA 0.251 4.571 4.320 -0.000 0.000 0.284 40 K C -0.061 176.541 176.600 0.002 0.000 1.046 40 K CA -0.028 56.262 56.287 0.004 0.000 0.999 40 K CB 0.506 33.008 32.500 0.003 0.000 0.941 40 K HN 0.660 nan 8.250 nan 0.000 0.474 41 T N -0.048 114.508 114.554 0.004 0.000 2.924 41 T HA 0.302 4.651 4.350 -0.000 0.000 0.291 41 T C -1.939 172.762 174.700 0.003 0.000 1.045 41 T CA -2.134 59.968 62.100 0.003 0.000 1.015 41 T CB 1.627 70.497 68.868 0.004 0.000 1.103 41 T HN 0.166 nan 8.240 nan 0.000 0.496 42 P HA -0.126 nan 4.420 nan 0.000 0.217 42 P C 1.113 178.414 177.300 0.003 0.000 1.148 42 P CA 1.285 64.386 63.100 0.002 0.000 0.834 42 P CB 0.151 31.852 31.700 0.001 0.000 0.783 43 Q N -1.761 118.042 119.800 0.004 0.000 2.252 43 Q HA 0.290 4.630 4.340 -0.000 0.000 0.195 43 Q C 1.627 177.631 176.000 0.005 0.000 0.974 43 Q CA 1.383 57.189 55.803 0.005 0.000 0.846 43 Q CB -0.754 27.987 28.738 0.005 0.000 0.943 43 Q HN 0.227 nan 8.270 nan 0.000 0.516 44 G N 0.108 108.911 108.800 0.006 0.000 3.366 44 G HA2 0.459 4.418 3.960 -0.000 0.000 0.179 44 G HA3 0.459 4.418 3.960 -0.000 0.000 0.179 44 G C -1.246 173.659 174.900 0.007 0.000 1.143 44 G CA -0.562 44.542 45.100 0.006 0.000 0.810 44 G HN 0.129 nan 8.290 nan 0.000 0.697 45 K N -0.651 119.754 120.400 0.009 0.000 2.328 45 K HA 0.753 5.073 4.320 -0.000 0.000 0.246 45 K C -1.637 174.970 176.600 0.012 0.000 0.955 45 K CA -0.867 55.427 56.287 0.011 0.000 0.817 45 K CB 2.706 35.213 32.500 0.012 0.000 1.208 45 K HN 0.367 nan 8.250 nan 0.000 0.432 46 L N 2.552 123.783 121.223 0.013 0.000 2.264 46 L HA 0.290 4.630 4.340 -0.000 0.000 0.287 46 L C -1.242 175.640 176.870 0.020 0.000 1.039 46 L CA -0.452 54.397 54.840 0.015 0.000 0.829 46 L CB 1.368 43.434 42.059 0.011 0.000 1.211 46 L HN 0.551 nan 8.230 nan 0.000 0.427 47 V N 6.635 126.563 119.914 0.024 0.000 2.498 47 V HA 0.349 4.469 4.120 -0.000 0.000 0.279 47 V C 0.425 176.540 176.094 0.034 0.000 1.048 47 V CA -0.339 61.979 62.300 0.031 0.000 0.967 47 V CB 1.099 32.941 31.823 0.032 0.000 0.988 47 V HN 0.640 nan 8.190 nan 0.000 0.473 48 L N 3.902 125.149 121.223 0.041 0.000 2.322 48 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 48 L C 0.004 176.906 176.870 0.052 0.000 1.012 48 L CA -0.483 54.384 54.840 0.044 0.000 0.815 48 L CB 1.861 43.947 42.059 0.045 0.000 1.295 48 L HN 0.573 nan 8.230 nan 0.000 0.438 49 E N 1.057 121.288 120.200 0.052 0.000 2.255 49 E HA 0.282 4.632 4.350 -0.000 0.000 0.256 49 E C -1.320 175.307 176.600 0.045 0.000 0.887 49 E CA -0.640 55.792 56.400 0.054 0.000 0.782 49 E CB 2.190 31.931 29.700 0.069 0.000 1.214 49 E HN 0.299 nan 8.360 nan 0.000 0.417 50 V N 3.183 123.122 119.914 0.042 0.000 2.644 50 V HA -0.015 4.105 4.120 -0.000 0.000 0.305 50 V C 0.979 177.094 176.094 0.035 0.000 1.053 50 V CA 1.405 63.731 62.300 0.042 0.000 1.186 50 V CB 0.854 32.702 31.823 0.041 0.000 0.895 50 V HN 0.843 nan 8.190 nan 0.000 0.490 51 A N 3.987 126.835 122.820 0.046 0.000 2.263 51 A HA 0.365 4.685 4.320 -0.000 0.000 0.200 51 A C 0.548 178.169 177.584 0.061 0.000 1.428 51 A CA 0.002 52.061 52.037 0.037 0.000 1.050 51 A CB 0.519 19.535 19.000 0.026 0.000 1.226 51 A HN 0.723 nan 8.150 nan 0.000 0.501 52 Q N -0.195 119.660 119.800 0.092 0.000 2.345 52 Q HA 0.361 4.701 4.340 -0.000 0.000 0.275 52 Q C -1.684 174.427 176.000 0.185 0.000 1.063 52 Q CA -0.533 55.342 55.803 0.121 0.000 0.819 52 Q CB 1.984 30.764 28.738 0.070 0.000 1.356 52 Q HN 0.621 nan 8.270 nan 0.000 0.418 53 H N 3.601 122.676 119.070 0.008 0.000 2.597 53 H HA 0.237 4.793 4.556 -0.000 0.000 0.303 53 H C 0.502 175.843 175.328 0.021 0.000 1.057 53 H CA -0.137 55.920 56.048 0.015 0.000 1.261 53 H CB 1.076 30.839 29.762 0.001 0.000 1.397 53 H HN 0.502 nan 8.280 nan 0.000 0.461 54 L N 2.545 123.825 121.223 0.094 0.000 2.375 54 L HA 0.186 4.525 4.340 -0.000 0.000 0.215 54 L C 1.212 178.122 176.870 0.067 0.000 1.108 54 L CA 0.493 55.374 54.840 0.069 0.000 0.830 54 L CB 0.119 42.207 42.059 0.048 0.000 0.959 54 L HN 0.845 nan 8.230 nan 0.000 0.457 55 G N 0.236 109.081 108.800 0.075 0.000 2.603 55 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 55 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 55 G C -0.088 174.855 174.900 0.071 0.000 1.286 55 G CA -0.493 44.648 45.100 0.069 0.000 0.871 55 G HN 0.279 nan 8.290 nan 0.000 0.568 56 E N 0.213 120.455 120.200 0.071 0.000 2.238 56 E HA -0.267 4.083 4.350 -0.000 0.000 0.219 56 E C 0.761 177.448 176.600 0.145 0.000 1.275 56 E CA 0.699 57.152 56.400 0.089 0.000 0.714 56 E CB -1.060 28.681 29.700 0.068 0.000 1.154 56 E HN 0.920 nan 8.360 nan 0.000 0.363 57 N N -0.986 117.779 118.700 0.107 0.000 2.708 57 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 57 N C -0.718 174.859 175.510 0.112 0.000 1.097 57 N CA 1.889 54.982 53.050 0.071 0.000 0.710 57 N CB -1.002 37.483 38.487 -0.003 0.000 1.032 57 N HN 0.267 nan 8.380 nan 0.000 0.551 58 T N -0.296 114.329 114.554 0.119 0.000 2.856 58 T HA 0.638 4.987 4.350 -0.000 0.000 0.283 58 T C 0.510 175.229 174.700 0.030 0.000 1.008 58 T CA -0.732 61.436 62.100 0.113 0.000 0.997 58 T CB 2.773 71.709 68.868 0.113 0.000 0.992 58 T HN 0.125 nan 8.240 nan 0.000 0.454 59 V N 0.817 120.749 119.914 0.031 0.000 2.864 59 V HA 0.792 4.911 4.120 -0.000 0.000 0.314 59 V C -0.511 175.597 176.094 0.023 0.000 1.073 59 V CA -1.449 60.834 62.300 -0.028 0.000 0.956 59 V CB 1.931 33.695 31.823 -0.098 0.000 1.023 59 V HN 0.859 nan 8.190 nan 0.000 0.435 60 R N 1.818 122.333 120.500 0.024 0.000 2.387 60 R HA 0.749 5.088 4.340 -0.000 0.000 0.314 60 R C -0.318 176.004 176.300 0.036 0.000 0.958 60 R CA 0.224 56.343 56.100 0.032 0.000 0.846 60 R CB 1.631 31.950 30.300 0.032 0.000 1.147 60 R HN 1.166 nan 8.270 nan 0.000 0.447 61 T N 1.954 116.529 114.554 0.035 0.000 2.907 61 T HA 0.526 4.875 4.350 -0.000 0.000 0.292 61 T C 0.135 174.852 174.700 0.029 0.000 1.043 61 T CA -1.005 61.117 62.100 0.037 0.000 1.003 61 T CB 1.182 70.077 68.868 0.046 0.000 1.084 61 T HN 0.548 nan 8.240 nan 0.000 0.483 62 I N 0.519 121.107 120.570 0.030 0.000 2.330 62 I HA 0.744 4.914 4.170 -0.000 0.000 0.289 62 I C 0.552 176.685 176.117 0.027 0.000 1.001 62 I CA -1.341 59.973 61.300 0.024 0.000 1.193 62 I CB 0.806 38.819 38.000 0.023 0.000 1.345 62 I HN 0.870 nan 8.210 nan 0.000 0.461 63 A N 6.962 129.795 122.820 0.020 0.000 2.531 63 A HA 0.280 4.600 4.320 -0.000 0.000 0.236 63 A C 0.929 178.526 177.584 0.023 0.000 1.062 63 A CA 0.006 52.056 52.037 0.020 0.000 0.760 63 A CB 0.325 19.334 19.000 0.014 0.000 0.995 63 A HN 0.883 nan 8.150 nan 0.000 0.501 64 M N 0.513 120.128 119.600 0.026 0.000 2.428 64 M HA 0.183 4.663 4.480 -0.000 0.000 0.239 64 M C -0.061 176.252 176.300 0.022 0.000 1.121 64 M CA 0.605 55.922 55.300 0.027 0.000 1.019 64 M CB -0.696 31.924 32.600 0.033 0.000 1.485 64 M HN 0.816 nan 8.290 nan 0.000 0.484 65 D N -1.184 119.227 120.400 0.018 0.000 2.752 65 D HA 0.473 5.113 4.640 -0.000 0.000 0.313 65 D C -0.484 175.822 176.300 0.010 0.000 1.225 65 D CA -0.182 53.827 54.000 0.014 0.000 0.976 65 D CB 1.366 42.175 40.800 0.015 0.000 1.443 65 D HN 0.105 nan 8.370 nan 0.000 0.515 66 G N -0.995 107.810 108.800 0.008 0.000 2.484 66 G HA2 0.337 4.297 3.960 -0.000 0.000 0.235 66 G HA3 0.337 4.297 3.960 -0.000 0.000 0.235 66 G C 0.792 175.695 174.900 0.004 0.000 1.282 66 G CA 0.642 45.745 45.100 0.005 0.000 0.857 66 G HN 0.398 nan 8.290 nan 0.000 0.571 67 T N -1.478 113.077 114.554 0.002 0.000 3.044 67 T HA 0.145 4.495 4.350 -0.000 0.000 0.260 67 T C 0.768 175.468 174.700 -0.001 0.000 1.019 67 T CA 0.088 62.188 62.100 0.001 0.000 0.921 67 T CB -0.044 68.824 68.868 0.001 0.000 1.053 67 T HN 0.673 nan 8.240 nan 0.000 0.533 68 E N 1.998 122.198 120.200 -0.001 0.000 2.694 68 E HA 0.197 4.546 4.350 -0.000 0.000 0.250 68 E C 1.021 177.619 176.600 -0.002 0.000 0.963 68 E CA 0.872 57.271 56.400 -0.002 0.000 0.949 68 E CB -0.366 29.333 29.700 -0.001 0.000 0.911 68 E HN 0.635 nan 8.360 nan 0.000 0.500 69 G N 3.257 112.055 108.800 -0.004 0.000 2.137 69 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 69 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 69 G C 0.075 174.972 174.900 -0.005 0.000 1.002 69 G CA 0.132 45.229 45.100 -0.004 0.000 0.702 69 G HN 0.510 nan 8.290 nan 0.000 0.515 70 L N -0.095 121.124 121.223 -0.006 0.000 2.436 70 L HA 0.608 4.948 4.340 -0.000 0.000 0.265 70 L C 0.521 177.384 176.870 -0.011 0.000 1.168 70 L CA -0.688 54.147 54.840 -0.008 0.000 0.815 70 L CB 1.455 43.509 42.059 -0.008 0.000 1.109 70 L HN -0.001 nan 8.230 nan 0.000 0.462 71 V N 2.617 122.522 119.914 -0.014 0.000 2.531 71 V HA 0.354 4.474 4.120 -0.000 0.000 0.301 71 V C -0.174 175.907 176.094 -0.022 0.000 1.034 71 V CA -0.909 61.381 62.300 -0.016 0.000 0.865 71 V CB 1.729 33.543 31.823 -0.015 0.000 0.995 71 V HN 0.659 nan 8.190 nan 0.000 0.424 72 R N 2.915 123.401 120.500 -0.023 0.000 2.480 72 R HA 0.397 4.737 4.340 -0.000 0.000 0.303 72 R C 1.276 177.556 176.300 -0.033 0.000 0.985 72 R CA 1.003 57.086 56.100 -0.030 0.000 1.051 72 R CB -0.005 30.277 30.300 -0.030 0.000 0.935 72 R HN 1.196 nan 8.270 nan 0.000 0.410 73 G N 2.002 110.778 108.800 -0.040 0.000 2.380 73 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.197 73 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.197 73 G C -0.006 174.868 174.900 -0.042 0.000 1.001 73 G CA -0.637 44.438 45.100 -0.041 0.000 0.668 73 G HN 0.570 nan 8.290 nan 0.000 0.483 74 E N 1.486 121.663 120.200 -0.038 0.000 2.529 74 E HA 0.131 4.481 4.350 -0.000 0.000 0.259 74 E C 0.533 177.104 176.600 -0.049 0.000 0.966 74 E CA 0.258 56.637 56.400 -0.036 0.000 0.937 74 E CB 0.562 30.245 29.700 -0.028 0.000 0.923 74 E HN 0.333 nan 8.360 nan 0.000 0.468 75 K N 1.890 122.265 120.400 -0.040 0.000 2.511 75 K HA 0.010 4.330 4.320 -0.000 0.000 0.280 75 K C -0.918 175.655 176.600 -0.046 0.000 1.008 75 K CA 0.060 56.320 56.287 -0.046 0.000 1.050 75 K CB 0.431 32.916 32.500 -0.024 0.000 0.889 75 K HN 0.165 nan 8.250 nan 0.000 0.484 76 V N 6.104 125.975 119.914 -0.072 0.000 2.531 76 V HA 0.309 4.428 4.120 -0.000 0.000 0.301 76 V C -0.661 175.444 176.094 0.018 0.000 1.034 76 V CA -0.983 61.292 62.300 -0.042 0.000 0.865 76 V CB 1.527 33.298 31.823 -0.087 0.000 0.995 76 V HN 0.630 nan 8.190 nan 0.000 0.424 77 L N 3.563 124.822 121.223 0.060 0.000 2.282 77 L HA 0.589 4.929 4.340 -0.000 0.000 0.288 77 L C -0.105 176.844 176.870 0.131 0.000 1.033 77 L CA -0.154 54.743 54.840 0.094 0.000 0.807 77 L CB 1.386 43.478 42.059 0.056 0.000 1.209 77 L HN 0.760 nan 8.230 nan 0.000 0.423 78 D N 1.994 122.498 120.400 0.174 0.000 2.343 78 D HA 0.044 4.684 4.640 -0.000 0.000 0.255 78 D C 1.211 177.540 176.300 0.049 0.000 1.187 78 D CA 0.390 54.452 54.000 0.104 0.000 0.875 78 D CB 1.391 42.202 40.800 0.019 0.000 1.136 78 D HN 0.675 nan 8.370 nan 0.000 0.469 79 T N 1.064 115.640 114.554 0.037 0.000 3.085 79 T HA 0.193 4.543 4.350 -0.000 0.000 0.263 79 T C 1.565 176.272 174.700 0.012 0.000 1.127 79 T CA 0.611 62.727 62.100 0.026 0.000 1.103 79 T CB -0.138 68.747 68.868 0.028 0.000 0.921 79 T HN 0.717 nan 8.240 nan 0.000 0.510 80 G N -0.295 108.505 108.800 -0.001 0.000 2.194 80 G HA2 0.171 4.131 3.960 -0.000 0.000 0.236 80 G HA3 0.171 4.131 3.960 -0.000 0.000 0.236 80 G C 0.430 175.326 174.900 -0.008 0.000 0.987 80 G CA -0.363 44.730 45.100 -0.012 0.000 0.635 80 G HN 1.410 nan 8.290 nan 0.000 0.520 81 G N -1.159 107.643 108.800 0.004 0.000 2.548 81 G HA2 0.715 4.675 3.960 -0.000 0.000 0.301 81 G HA3 0.715 4.675 3.960 -0.000 0.000 0.301 81 G C -3.246 171.672 174.900 0.031 0.000 1.349 81 G CA -0.095 45.013 45.100 0.013 0.000 0.792 81 G HN 0.219 nan 8.290 nan 0.000 0.481 82 P HA 0.272 nan 4.420 nan 0.000 0.271 82 P C 0.160 177.520 177.300 0.100 0.000 1.244 82 P CA -0.335 62.829 63.100 0.108 0.000 0.793 82 P CB 0.520 32.330 31.700 0.183 0.000 0.984 83 I N 0.449 121.095 120.570 0.126 0.000 2.741 83 I HA -0.030 4.140 4.170 -0.000 0.000 0.288 83 I C 0.963 177.109 176.117 0.049 0.000 1.192 83 I CA 0.875 62.221 61.300 0.076 0.000 1.426 83 I CB -0.217 37.828 38.000 0.074 0.000 1.367 83 I HN 0.330 nan 8.210 nan 0.000 0.563 84 S N 6.512 122.229 115.700 0.028 0.000 2.578 84 S HA 0.796 5.266 4.470 -0.000 0.000 0.301 84 S C -0.471 174.127 174.600 -0.003 0.000 1.091 84 S CA -0.840 57.367 58.200 0.012 0.000 1.032 84 S CB 2.028 65.234 63.200 0.010 0.000 1.064 84 S HN 0.477 nan 8.310 nan 0.000 0.508 85 V N -1.233 118.673 119.914 -0.014 0.000 2.667 85 V HA 0.775 4.894 4.120 -0.000 0.000 0.308 85 V C -2.855 173.212 176.094 -0.045 0.000 1.048 85 V CA -2.903 59.383 62.300 -0.024 0.000 0.928 85 V CB 1.152 32.964 31.823 -0.019 0.000 1.004 85 V HN 0.820 nan 8.190 nan 0.000 0.444 86 P HA 0.279 nan 4.420 nan 0.000 0.271 86 P C -0.179 177.054 177.300 -0.111 0.000 1.216 86 P CA 0.170 63.219 63.100 -0.086 0.000 0.771 86 P CB 1.323 32.982 31.700 -0.068 0.000 0.864 87 V N -0.313 119.470 119.914 -0.218 0.000 3.240 87 V HA 0.961 5.081 4.120 -0.000 0.000 0.306 87 V C 0.514 176.337 176.094 -0.452 0.000 1.227 87 V CA -0.144 61.960 62.300 -0.327 0.000 1.047 87 V CB 0.538 32.038 31.823 -0.538 0.000 1.203 87 V HN 0.956 nan 8.190 nan 0.000 0.471 88 G N 0.421 108.831 108.800 -0.651 0.000 2.681 88 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 88 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 88 G C 0.279 175.127 174.900 -0.086 0.000 1.353 88 G CA 0.339 45.098 45.100 -0.569 0.000 0.872 88 G HN 0.920 nan 8.290 nan 0.000 0.557 89 R N 0.397 120.891 120.500 -0.011 0.000 2.235 89 R HA -0.006 4.334 4.340 -0.000 0.000 0.213 89 R C 1.893 178.197 176.300 0.007 0.000 1.059 89 R CA 1.248 57.402 56.100 0.090 0.000 0.997 89 R CB -0.104 30.239 30.300 0.072 0.000 0.884 89 R HN 0.595 nan 8.270 nan 0.000 0.462 90 E N 0.149 120.336 120.200 -0.021 0.000 2.478 90 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 90 E C 1.568 178.149 176.600 -0.031 0.000 1.046 90 E CA 1.177 57.557 56.400 -0.034 0.000 0.870 90 E CB 0.146 29.818 29.700 -0.046 0.000 0.818 90 E HN 0.436 nan 8.360 nan 0.000 0.527 91 T N -1.502 113.046 114.554 -0.011 0.000 3.035 91 T HA 0.086 4.436 4.350 -0.000 0.000 0.259 91 T C 1.261 175.934 174.700 -0.046 0.000 1.078 91 T CA -0.153 61.938 62.100 -0.016 0.000 1.132 91 T CB -0.166 68.719 68.868 0.027 0.000 0.900 91 T HN -0.051 nan 8.240 nan 0.000 0.480 92 L N 2.037 123.212 121.223 -0.080 0.000 2.525 92 L HA 0.410 4.750 4.340 -0.000 0.000 0.278 92 L C 1.771 178.596 176.870 -0.075 0.000 1.218 92 L CA 0.933 55.694 54.840 -0.132 0.000 0.878 92 L CB -0.252 41.654 42.059 -0.256 0.000 1.127 92 L HN 0.525 nan 8.230 nan 0.000 0.492 93 G N 1.302 110.073 108.800 -0.048 0.000 2.184 93 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.264 93 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.264 93 G C 0.374 175.298 174.900 0.040 0.000 0.975 93 G CA -0.265 44.842 45.100 0.012 0.000 0.642 93 G HN 0.480 nan 8.290 nan 0.000 0.536 94 R N -0.133 120.350 120.500 -0.027 0.000 2.598 94 R HA 0.706 5.046 4.340 -0.000 0.000 0.279 94 R C 0.266 176.469 176.300 -0.161 0.000 0.984 94 R CA -0.923 55.137 56.100 -0.066 0.000 0.999 94 R CB 0.927 31.191 30.300 -0.061 0.000 1.114 94 R HN 0.299 nan 8.270 nan 0.000 0.493 95 I N 3.232 123.659 120.570 -0.239 0.000 2.339 95 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 95 I C 0.074 176.064 176.117 -0.213 0.000 0.994 95 I CA -0.425 60.669 61.300 -0.342 0.000 1.191 95 I CB 0.954 38.688 38.000 -0.442 0.000 1.343 95 I HN 0.265 nan 8.210 nan 0.000 0.458 96 I N 6.024 126.472 120.570 -0.203 0.000 2.465 96 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 96 I C -0.086 175.992 176.117 -0.064 0.000 1.014 96 I CA -0.815 60.421 61.300 -0.106 0.000 1.093 96 I CB 1.653 39.603 38.000 -0.084 0.000 1.267 96 I HN 0.620 nan 8.210 nan 0.000 0.431 97 N N 5.210 123.899 118.700 -0.018 0.000 2.366 97 N HA 0.079 4.819 4.740 -0.000 0.000 0.277 97 N C 0.785 176.305 175.510 0.016 0.000 1.275 97 N CA -0.611 52.452 53.050 0.021 0.000 0.964 97 N CB 0.476 38.982 38.487 0.032 0.000 1.167 97 N HN 0.393 nan 8.380 nan 0.000 0.568 98 V N -0.106 119.826 119.914 0.031 0.000 2.332 98 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 98 V C 1.750 177.853 176.094 0.015 0.000 1.055 98 V CA 1.944 64.259 62.300 0.025 0.000 1.038 98 V CB -0.835 31.010 31.823 0.035 0.000 0.651 98 V HN 0.667 nan 8.190 nan 0.000 0.450 99 I N -2.039 118.541 120.570 0.017 0.000 3.646 99 I HA 0.418 4.588 4.170 -0.000 0.000 0.301 99 I C 1.484 177.604 176.117 0.006 0.000 1.276 99 I CA 0.833 62.142 61.300 0.015 0.000 1.254 99 I CB -0.581 37.431 38.000 0.020 0.000 1.020 99 I HN 0.402 nan 8.210 nan 0.000 0.473 100 G N 1.162 109.960 108.800 -0.003 0.000 2.217 100 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.246 100 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.246 100 G C -0.021 174.869 174.900 -0.017 0.000 0.990 100 G CA 0.046 45.138 45.100 -0.013 0.000 0.627 100 G HN 0.628 nan 8.290 nan 0.000 0.522 101 E N 2.558 122.752 120.200 -0.011 0.000 2.392 101 E HA 0.384 4.734 4.350 -0.000 0.000 0.264 101 E C -2.131 174.455 176.600 -0.023 0.000 1.024 101 E CA -1.290 55.102 56.400 -0.013 0.000 0.903 101 E CB 0.920 30.617 29.700 -0.005 0.000 0.963 101 E HN 0.285 nan 8.360 nan 0.000 0.432 102 P HA 0.030 nan 4.420 nan 0.000 0.275 102 P C 0.057 177.336 177.300 -0.034 0.000 1.227 102 P CA 0.205 63.280 63.100 -0.042 0.000 0.781 102 P CB 0.501 32.177 31.700 -0.039 0.000 0.906 103 I N -0.954 119.587 120.570 -0.048 0.000 3.936 103 I HA 0.236 4.406 4.170 -0.000 0.000 0.330 103 I C 0.442 176.528 176.117 -0.051 0.000 1.509 103 I CA -0.193 61.089 61.300 -0.030 0.000 1.126 103 I CB -0.092 37.908 38.000 -0.001 0.000 1.115 103 I HN 0.058 nan 8.210 nan 0.000 0.424 104 D N 0.839 121.193 120.400 -0.076 0.000 2.340 104 D HA -0.028 4.612 4.640 -0.000 0.000 0.217 104 D C 0.432 176.724 176.300 -0.013 0.000 1.081 104 D CA -0.086 53.860 54.000 -0.090 0.000 0.842 104 D CB -0.191 40.508 40.800 -0.167 0.000 0.934 104 D HN 0.483 nan 8.370 nan 0.000 0.511 105 E N 0.001 120.197 120.200 -0.006 0.000 2.440 105 E HA -0.239 4.111 4.350 -0.000 0.000 0.246 105 E C -0.261 176.349 176.600 0.017 0.000 1.165 105 E CA 0.248 56.654 56.400 0.010 0.000 0.726 105 E CB -0.997 28.715 29.700 0.021 0.000 1.271 105 E HN 0.467 nan 8.360 nan 0.000 0.397 106 R N 0.002 120.508 120.500 0.011 0.000 2.767 106 R HA 0.308 4.648 4.340 -0.000 0.000 0.377 106 R C 0.796 177.098 176.300 0.004 0.000 1.151 106 R CA 0.187 56.296 56.100 0.014 0.000 1.046 106 R CB 1.026 31.341 30.300 0.025 0.000 1.404 106 R HN 0.321 nan 8.270 nan 0.000 0.580 107 G N 2.622 111.423 108.800 0.001 0.000 2.645 107 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 107 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 107 G C -2.387 172.508 174.900 -0.008 0.000 1.322 107 G CA -0.930 44.169 45.100 -0.003 0.000 0.898 107 G HN 0.229 nan 8.290 nan 0.000 0.573 108 P HA 0.471 nan 4.420 nan 0.000 0.278 108 P C 0.032 177.321 177.300 -0.019 0.000 1.238 108 P CA -0.378 62.713 63.100 -0.014 0.000 0.794 108 P CB 0.590 32.282 31.700 -0.013 0.000 0.955 109 I N 2.603 123.158 120.570 -0.025 0.000 2.311 109 I HA 0.114 4.284 4.170 -0.000 0.000 0.297 109 I C 1.052 177.149 176.117 -0.034 0.000 1.131 109 I CA -0.122 61.160 61.300 -0.031 0.000 1.289 109 I CB -0.285 37.693 38.000 -0.038 0.000 1.446 109 I HN 0.122 nan 8.210 nan 0.000 0.524 110 K N 4.642 125.024 120.400 -0.030 0.000 2.408 110 K HA 0.073 4.392 4.320 -0.000 0.000 0.231 110 K C 0.670 177.244 176.600 -0.043 0.000 1.261 110 K CA -0.148 56.120 56.287 -0.031 0.000 1.193 110 K CB 0.071 32.558 32.500 -0.023 0.000 1.431 110 K HN 0.605 nan 8.250 nan 0.000 0.243 111 S N 0.618 116.284 115.700 -0.057 0.000 2.617 111 S HA 0.086 4.556 4.470 -0.000 0.000 0.259 111 S C 1.138 175.690 174.600 -0.081 0.000 1.301 111 S CA -0.142 58.007 58.200 -0.085 0.000 0.984 111 S CB 1.290 64.425 63.200 -0.109 0.000 0.954 111 S HN 0.514 nan 8.310 nan 0.000 0.572 112 K N 0.226 120.562 120.400 -0.107 0.000 2.214 112 K HA 0.422 4.742 4.320 -0.000 0.000 0.201 112 K C -0.012 176.536 176.600 -0.086 0.000 1.049 112 K CA 0.208 56.446 56.287 -0.081 0.000 0.978 112 K CB 0.060 32.522 32.500 -0.065 0.000 0.842 112 K HN 0.625 nan 8.250 nan 0.000 0.474 113 L N 1.093 122.232 121.223 -0.140 0.000 2.342 113 L HA 0.444 4.784 4.340 -0.000 0.000 0.271 113 L C -0.782 176.010 176.870 -0.130 0.000 1.008 113 L CA -0.878 53.891 54.840 -0.120 0.000 0.818 113 L CB 1.921 43.910 42.059 -0.116 0.000 1.296 113 L HN -0.022 nan 8.230 nan 0.000 0.427 114 R N 2.717 123.172 120.500 -0.075 0.000 2.532 114 R HA 0.560 4.900 4.340 -0.000 0.000 0.295 114 R C -1.147 175.133 176.300 -0.034 0.000 0.968 114 R CA -1.005 55.060 56.100 -0.059 0.000 0.916 114 R CB 1.731 32.011 30.300 -0.034 0.000 1.124 114 R HN 0.335 nan 8.270 nan 0.000 0.463 115 K N 2.996 123.382 120.400 -0.025 0.000 2.378 115 K HA 0.384 4.704 4.320 -0.000 0.000 0.252 115 K C -2.592 174.017 176.600 0.015 0.000 0.931 115 K CA -2.156 54.136 56.287 0.008 0.000 0.794 115 K CB 2.385 34.903 32.500 0.029 0.000 1.181 115 K HN 0.375 nan 8.250 nan 0.000 0.425 116 P HA 0.041 nan 4.420 nan 0.000 0.266 116 P C 1.018 178.333 177.300 0.025 0.000 1.195 116 P CA -0.023 63.104 63.100 0.046 0.000 0.768 116 P CB 0.350 32.092 31.700 0.070 0.000 0.838 117 I N -0.073 120.491 120.570 -0.010 0.000 2.546 117 I HA -0.044 4.126 4.170 -0.000 0.000 0.255 117 I C 0.682 176.679 176.117 -0.201 0.000 1.163 117 I CA 0.847 62.076 61.300 -0.118 0.000 1.457 117 I CB -0.722 37.168 38.000 -0.183 0.000 1.092 117 I HN 0.247 nan 8.210 nan 0.000 0.434 118 H N 2.560 121.644 119.070 0.024 0.000 2.562 118 H HA 0.773 5.329 4.556 -0.000 0.000 0.314 118 H C -0.385 174.955 175.328 0.020 0.000 1.079 118 H CA -0.063 55.999 56.048 0.023 0.000 1.349 118 H CB 1.391 31.168 29.762 0.024 0.000 1.432 118 H HN 0.446 nan 8.280 nan 0.000 0.479 119 A N 3.479 126.369 122.820 0.117 0.000 2.606 119 A HA 0.257 4.577 4.320 -0.000 0.000 0.293 119 A C -0.882 176.739 177.584 0.061 0.000 1.082 119 A CA -0.961 51.121 52.037 0.075 0.000 0.685 119 A CB 1.517 20.546 19.000 0.049 0.000 1.284 119 A HN 0.561 nan 8.150 nan 0.000 0.408 120 D N 1.739 122.167 120.400 0.048 0.000 2.382 120 D HA 0.410 5.050 4.640 -0.000 0.000 0.245 120 D C -1.990 174.330 176.300 0.033 0.000 1.120 120 D CA -0.209 53.815 54.000 0.040 0.000 0.890 120 D CB 0.619 41.440 40.800 0.034 0.000 1.201 120 D HN 0.219 nan 8.370 nan 0.000 0.433 121 P HA 0.088 nan 4.420 nan 0.000 0.271 121 P C -2.480 174.836 177.300 0.027 0.000 1.233 121 P CA -0.707 62.409 63.100 0.027 0.000 0.795 121 P CB -0.412 31.309 31.700 0.036 0.000 0.936 122 P HA 0.013 nan 4.420 nan 0.000 0.264 122 P C 0.114 177.435 177.300 0.036 0.000 1.193 122 P CA 0.261 63.371 63.100 0.015 0.000 0.763 122 P CB 0.177 31.877 31.700 -0.000 0.000 0.810 123 S N 3.227 118.950 115.700 0.038 0.000 2.563 123 S HA -0.060 4.410 4.470 -0.000 0.000 0.269 123 S C 1.033 175.692 174.600 0.098 0.000 1.364 123 S CA -0.301 57.942 58.200 0.072 0.000 1.010 123 S CB -0.176 63.058 63.200 0.058 0.000 0.877 123 S HN 0.407 nan 8.310 nan 0.000 0.549 124 F N 3.111 123.061 119.950 -0.000 0.000 2.250 124 F HA 0.008 4.535 4.527 -0.000 0.000 0.301 124 F C 2.195 177.993 175.800 -0.004 0.000 1.077 124 F CA 1.664 59.663 58.000 -0.001 0.000 1.348 124 F CB -0.899 38.101 39.000 -0.000 0.000 1.040 124 F HN 0.702 nan 8.300 nan 0.000 0.509 125 A N -0.197 122.595 122.820 -0.047 0.000 2.015 125 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 125 A C 1.997 179.488 177.584 -0.154 0.000 1.163 125 A CA 1.627 53.590 52.037 -0.124 0.000 0.646 125 A CB -0.638 18.356 19.000 -0.010 0.000 0.806 125 A HN 0.566 nan 8.150 nan 0.000 0.448 126 E N -0.029 120.104 120.200 -0.113 0.000 2.479 126 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 126 E C -0.093 176.440 176.600 -0.112 0.000 1.049 126 E CA -0.256 56.090 56.400 -0.091 0.000 0.870 126 E CB 0.141 29.811 29.700 -0.050 0.000 0.944 126 E HN 0.551 nan 8.360 nan 0.000 0.492 127 Q N 1.100 120.799 119.800 -0.168 0.000 2.352 127 Q HA 0.076 4.416 4.340 -0.000 0.000 0.260 127 Q C 0.019 175.929 176.000 -0.151 0.000 0.976 127 Q CA 0.067 55.777 55.803 -0.155 0.000 0.881 127 Q CB 1.429 30.049 28.738 -0.197 0.000 1.235 127 Q HN -0.014 nan 8.270 nan 0.000 0.419 128 S N 1.065 116.704 115.700 -0.102 0.000 2.533 128 S HA 0.049 4.519 4.470 -0.000 0.000 0.282 128 S C 0.919 175.465 174.600 -0.090 0.000 1.304 128 S CA -0.113 58.036 58.200 -0.086 0.000 1.063 128 S CB 0.295 63.458 63.200 -0.062 0.000 0.881 128 S HN 0.621 nan 8.310 nan 0.000 0.493 129 T N 1.740 116.241 114.554 -0.088 0.000 3.169 129 T HA 0.301 4.651 4.350 -0.000 0.000 0.250 129 T C 0.285 174.958 174.700 -0.046 0.000 1.111 129 T CA -0.378 61.676 62.100 -0.077 0.000 1.010 129 T CB -0.125 68.695 68.868 -0.080 0.000 0.984 129 T HN 0.319 nan 8.240 nan 0.000 0.537 130 S N 0.705 116.380 115.700 -0.042 0.000 2.541 130 S HA 0.738 5.208 4.470 -0.000 0.000 0.280 130 S C -0.521 174.062 174.600 -0.028 0.000 1.112 130 S CA -0.923 57.259 58.200 -0.030 0.000 0.925 130 S CB 1.735 64.919 63.200 -0.027 0.000 1.067 130 S HN 0.612 nan 8.310 nan 0.000 0.479 131 A N 2.924 125.731 122.820 -0.022 0.000 2.331 131 A HA 0.720 5.040 4.320 -0.000 0.000 0.283 131 A C 0.063 177.636 177.584 -0.018 0.000 1.142 131 A CA -0.388 51.637 52.037 -0.020 0.000 0.812 131 A CB 0.333 19.324 19.000 -0.015 0.000 1.074 131 A HN 0.741 nan 8.150 nan 0.000 0.497 132 E N 2.184 122.374 120.200 -0.017 0.000 2.446 132 E HA 0.481 4.831 4.350 -0.000 0.000 0.276 132 E C -1.329 175.269 176.600 -0.003 0.000 0.969 132 E CA -0.785 55.608 56.400 -0.011 0.000 0.800 132 E CB 0.709 30.401 29.700 -0.014 0.000 1.341 132 E HN 0.305 nan 8.360 nan 0.000 0.460 133 I N 1.372 121.948 120.570 0.011 0.000 2.472 133 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 133 I C 0.283 176.413 176.117 0.021 0.000 1.016 133 I CA -0.891 60.431 61.300 0.036 0.000 1.348 133 I CB 0.442 38.481 38.000 0.064 0.000 1.417 133 I HN 0.486 nan 8.210 nan 0.000 0.521 134 L N 6.018 127.264 121.223 0.039 0.000 2.255 134 L HA 0.267 4.607 4.340 -0.000 0.000 0.289 134 L C 0.511 177.427 176.870 0.076 0.000 1.046 134 L CA 0.017 54.855 54.840 -0.004 0.000 0.816 134 L CB 0.335 42.397 42.059 0.005 0.000 1.197 134 L HN 0.582 nan 8.230 nan 0.000 0.427 135 E N 2.505 122.794 120.200 0.148 0.000 2.220 135 E HA 0.010 4.360 4.350 -0.000 0.000 0.272 135 E C 0.506 177.227 176.600 0.203 0.000 1.099 135 E CA 0.466 56.992 56.400 0.210 0.000 0.907 135 E CB 0.791 30.647 29.700 0.260 0.000 1.022 135 E HN 0.839 nan 8.360 nan 0.000 0.428 136 T N 1.271 115.836 114.554 0.018 0.000 2.939 136 T HA 0.193 4.543 4.350 -0.000 0.000 0.254 136 T C 1.433 176.077 174.700 -0.094 0.000 1.041 136 T CA 0.568 62.624 62.100 -0.073 0.000 1.142 136 T CB 0.143 68.859 68.868 -0.254 0.000 0.874 136 T HN 0.666 nan 8.240 nan 0.000 0.452 137 G N 1.335 110.092 108.800 -0.073 0.000 2.179 137 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.220 137 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.220 137 G C -0.054 174.829 174.900 -0.029 0.000 0.990 137 G CA -0.098 44.964 45.100 -0.064 0.000 0.646 137 G HN 0.646 nan 8.290 nan 0.000 0.517 138 I N 1.164 121.712 120.570 -0.038 0.000 2.330 138 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 138 I C 1.508 177.639 176.117 0.023 0.000 1.001 138 I CA -0.852 60.482 61.300 0.058 0.000 1.193 138 I CB 1.460 39.504 38.000 0.073 0.000 1.345 138 I HN -0.042 nan 8.210 nan 0.000 0.461 139 K N 3.616 124.028 120.400 0.020 0.000 2.001 139 K HA -0.159 4.161 4.320 -0.000 0.000 0.214 139 K C 1.797 178.356 176.600 -0.068 0.000 1.050 139 K CA 1.578 57.845 56.287 -0.033 0.000 0.934 139 K CB -0.188 32.283 32.500 -0.050 0.000 0.718 139 K HN 0.555 nan 8.250 nan 0.000 0.443 140 V N 1.021 120.916 119.914 -0.031 0.000 2.282 140 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 140 V C 2.385 178.475 176.094 -0.008 0.000 1.057 140 V CA 1.725 64.003 62.300 -0.037 0.000 1.032 140 V CB -0.829 31.009 31.823 0.026 0.000 0.645 140 V HN 0.068 nan 8.190 nan 0.000 0.447 141 V N 0.461 120.396 119.914 0.034 0.000 2.261 141 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 141 V C 2.417 178.504 176.094 -0.011 0.000 1.047 141 V CA 2.386 64.691 62.300 0.009 0.000 1.015 141 V CB -0.786 30.970 31.823 -0.112 0.000 0.642 141 V HN 0.497 nan 8.190 nan 0.000 0.446 142 D N -0.371 120.011 120.400 -0.030 0.000 2.144 142 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 142 D C 1.854 178.201 176.300 0.079 0.000 0.984 142 D CA 1.197 55.206 54.000 0.016 0.000 0.834 142 D CB -0.094 40.699 40.800 -0.011 0.000 0.955 142 D HN 0.355 nan 8.370 nan 0.000 0.465 143 L N -0.371 120.842 121.223 -0.017 0.000 2.145 143 L HA 0.099 4.439 4.340 -0.000 0.000 0.201 143 L C 1.926 178.831 176.870 0.060 0.000 1.075 143 L CA 1.197 56.025 54.840 -0.020 0.000 0.773 143 L CB -0.142 41.746 42.059 -0.285 0.000 0.936 143 L HN -0.045 nan 8.230 nan 0.000 0.451 144 L N -0.847 120.361 121.223 -0.025 0.000 2.316 144 L HA 0.315 4.655 4.340 -0.000 0.000 0.207 144 L C 0.907 177.786 176.870 0.014 0.000 1.070 144 L CA 0.570 55.392 54.840 -0.031 0.000 0.820 144 L CB -0.228 41.787 42.059 -0.073 0.000 0.992 144 L HN 0.229 nan 8.230 nan 0.000 0.466 145 A N 0.937 123.789 122.820 0.054 0.000 3.258 145 A HA 0.445 4.765 4.320 -0.000 0.000 0.318 145 A C -2.536 175.154 177.584 0.176 0.000 0.990 145 A CA -1.151 50.947 52.037 0.102 0.000 0.885 145 A CB -0.322 18.748 19.000 0.117 0.000 1.090 145 A HN -0.115 nan 8.150 nan 0.000 0.479 146 P HA 0.046 nan 4.420 nan 0.000 0.268 146 P C -0.771 176.702 177.300 0.289 0.000 1.204 146 P CA 0.431 63.633 63.100 0.169 0.000 0.768 146 P CB 0.430 32.190 31.700 0.099 0.000 0.842 147 Y N 1.339 121.670 120.300 0.052 0.000 2.411 147 Y HA 0.297 4.847 4.550 -0.000 0.000 0.333 147 Y C 1.224 177.128 175.900 0.006 0.000 1.186 147 Y CA -1.068 57.052 58.100 0.033 0.000 1.381 147 Y CB 0.011 38.496 38.460 0.041 0.000 1.273 147 Y HN 0.398 nan 8.280 nan 0.000 0.546 148 A N 4.360 127.239 122.820 0.098 0.000 2.309 148 A HA 0.426 4.746 4.320 -0.000 0.000 0.298 148 A C 0.361 177.950 177.584 0.009 0.000 1.165 148 A CA -0.910 51.146 52.037 0.032 0.000 0.821 148 A CB 0.171 19.167 19.000 -0.006 0.000 1.102 148 A HN 0.808 nan 8.150 nan 0.000 0.500 149 R N 2.079 122.574 120.500 -0.008 0.000 2.413 149 R HA 0.338 4.678 4.340 -0.000 0.000 0.333 149 R C 1.013 177.285 176.300 -0.047 0.000 1.074 149 R CA 1.276 57.353 56.100 -0.040 0.000 0.982 149 R CB -0.620 29.644 30.300 -0.060 0.000 0.981 149 R HN 1.668 nan 8.270 nan 0.000 0.452 150 G N 2.484 111.251 108.800 -0.054 0.000 2.132 150 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.234 150 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.234 150 G C 0.242 175.108 174.900 -0.056 0.000 0.989 150 G CA -0.185 44.881 45.100 -0.057 0.000 0.676 150 G HN 0.877 nan 8.290 nan 0.000 0.522 151 G N -0.733 108.029 108.800 -0.063 0.000 2.641 151 G HA2 0.696 4.655 3.960 -0.000 0.000 0.239 151 G HA3 0.696 4.655 3.960 -0.000 0.000 0.239 151 G C -0.391 174.446 174.900 -0.105 0.000 1.402 151 G CA -0.484 44.575 45.100 -0.068 0.000 1.046 151 G HN 0.412 nan 8.290 nan 0.000 0.565 152 K N -0.996 119.333 120.400 -0.117 0.000 2.427 152 K HA 0.599 4.919 4.320 -0.000 0.000 0.252 152 K C -1.323 175.157 176.600 -0.200 0.000 0.931 152 K CA -0.263 55.932 56.287 -0.154 0.000 0.793 152 K CB 2.350 34.784 32.500 -0.110 0.000 1.211 152 K HN 0.234 nan 8.250 nan 0.000 0.426 153 I N 1.222 121.634 120.570 -0.264 0.000 2.433 153 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 153 I C 0.329 176.356 176.117 -0.150 0.000 1.001 153 I CA -0.390 60.735 61.300 -0.291 0.000 1.119 153 I CB 2.236 39.845 38.000 -0.652 0.000 1.289 153 I HN 0.648 nan 8.210 nan 0.000 0.438 154 G N 5.884 114.647 108.800 -0.061 0.000 2.320 154 G HA2 0.525 4.485 3.960 -0.000 0.000 0.300 154 G HA3 0.525 4.485 3.960 -0.000 0.000 0.300 154 G C -1.047 173.997 174.900 0.240 0.000 1.126 154 G CA -0.347 44.777 45.100 0.040 0.000 0.896 154 G HN 0.432 nan 8.290 nan 0.000 0.436 155 L N 3.171 124.461 121.223 0.112 0.000 2.257 155 L HA 0.649 4.988 4.340 -0.000 0.000 0.290 155 L C -1.064 175.873 176.870 0.113 0.000 1.044 155 L CA -0.623 54.328 54.840 0.185 0.000 0.810 155 L CB 0.386 42.541 42.059 0.161 0.000 1.193 155 L HN 0.342 nan 8.230 nan 0.000 0.425 156 F N 2.866 122.831 119.950 0.025 0.000 2.470 156 F HA 0.801 5.328 4.527 -0.000 0.000 0.329 156 F C 0.885 176.703 175.800 0.030 0.000 1.072 156 F CA -0.565 57.459 58.000 0.041 0.000 0.989 156 F CB 1.696 40.721 39.000 0.042 0.000 1.193 156 F HN 0.634 nan 8.300 nan 0.000 0.481 157 G N 0.790 109.709 108.800 0.199 0.000 2.999 157 G HA2 0.257 4.217 3.960 -0.000 0.000 0.686 157 G HA3 0.257 4.217 3.960 -0.000 0.000 0.686 157 G C 0.127 175.088 174.900 0.102 0.000 1.057 157 G CA -0.466 44.713 45.100 0.132 0.000 0.784 157 G HN 1.175 nan 8.290 nan 0.000 0.575 158 G N 1.301 110.157 108.800 0.094 0.000 2.606 158 G HA2 0.840 4.800 3.960 -0.000 0.000 0.213 158 G HA3 0.840 4.800 3.960 -0.000 0.000 0.213 158 G C 1.037 175.984 174.900 0.078 0.000 2.020 158 G CA 1.091 46.243 45.100 0.087 0.000 0.814 158 G HN 2.135 nan 8.290 nan 0.000 0.685 159 A N -1.517 121.343 122.820 0.066 0.000 2.259 159 A HA 0.544 4.864 4.320 -0.000 0.000 0.278 159 A C 1.529 179.146 177.584 0.056 0.000 1.107 159 A CA 0.850 52.920 52.037 0.055 0.000 0.828 159 A CB -0.208 18.817 19.000 0.042 0.000 1.111 159 A HN 2.225 nan 8.150 nan 0.000 0.498 160 G N -2.013 106.816 108.800 0.048 0.000 2.166 160 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.260 160 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.260 160 G C 0.548 175.494 174.900 0.076 0.000 0.986 160 G CA 1.257 46.388 45.100 0.051 0.000 0.683 160 G HN 2.162 nan 8.290 nan 0.000 0.527 161 V N -3.596 116.370 119.914 0.086 0.000 3.330 161 V HA 0.682 4.801 4.120 -0.000 0.000 0.309 161 V C 1.567 177.741 176.094 0.133 0.000 1.481 161 V CA 0.623 62.997 62.300 0.122 0.000 1.068 161 V CB 0.068 31.953 31.823 0.104 0.000 0.935 161 V HN 2.075 nan 8.190 nan 0.000 0.453 162 G N 2.133 110.985 108.800 0.086 0.000 2.338 162 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.296 162 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.296 162 G C 0.864 175.840 174.900 0.126 0.000 1.040 162 G CA 1.024 46.166 45.100 0.070 0.000 1.004 162 G HN 0.676 nan 8.290 nan 0.000 0.509 163 K N -0.274 120.196 120.400 0.118 0.000 2.113 163 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 163 K C 2.810 179.512 176.600 0.169 0.000 1.047 163 K CA 2.391 58.767 56.287 0.149 0.000 0.928 163 K CB -0.438 32.137 32.500 0.125 0.000 0.716 163 K HN 0.680 nan 8.250 nan 0.000 0.446 164 T N -1.370 113.242 114.554 0.097 0.000 2.788 164 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 164 T C 2.044 176.766 174.700 0.037 0.000 1.044 164 T CA 1.367 63.485 62.100 0.030 0.000 1.139 164 T CB -0.558 68.300 68.868 -0.018 0.000 0.867 164 T HN 0.010 nan 8.240 nan 0.000 0.454 165 V N 0.804 120.779 119.914 0.102 0.000 2.295 165 V HA -0.045 4.075 4.120 -0.000 0.000 0.246 165 V C 2.160 178.352 176.094 0.163 0.000 1.049 165 V CA 1.839 64.222 62.300 0.139 0.000 1.024 165 V CB -0.935 31.003 31.823 0.190 0.000 0.648 165 V HN 0.477 nan 8.190 nan 0.000 0.447 166 F N 0.407 120.436 119.950 0.132 0.000 2.126 166 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 166 F C 2.100 177.902 175.800 0.004 0.000 1.096 166 F CA 1.853 59.936 58.000 0.138 0.000 1.255 166 F CB -0.175 38.962 39.000 0.228 0.000 0.997 166 F HN 0.061 nan 8.300 nan 0.000 0.479 167 I N -0.056 120.598 120.570 0.140 0.000 2.179 167 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 167 I C 2.405 178.353 176.117 -0.282 0.000 1.088 167 I CA 1.536 62.745 61.300 -0.151 0.000 1.357 167 I CB -0.634 37.179 38.000 -0.312 0.000 1.051 167 I HN 0.208 nan 8.210 nan 0.000 0.409 168 Q N 0.171 119.844 119.800 -0.212 0.000 2.084 168 Q HA -0.282 4.058 4.340 -0.000 0.000 0.202 168 Q C 2.094 177.969 176.000 -0.208 0.000 0.978 168 Q CA 1.754 57.446 55.803 -0.185 0.000 0.844 168 Q CB -0.080 28.588 28.738 -0.117 0.000 0.898 168 Q HN 0.312 nan 8.270 nan 0.000 0.426 169 E N 0.422 120.421 120.200 -0.336 0.000 2.204 169 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 169 E C 1.572 177.901 176.600 -0.452 0.000 0.989 169 E CA 0.633 56.716 56.400 -0.528 0.000 0.824 169 E CB -0.041 28.954 29.700 -1.175 0.000 0.756 169 E HN 0.304 nan 8.360 nan 0.000 0.477 170 L N -0.153 120.858 121.223 -0.353 0.000 2.044 170 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 170 L C 2.277 179.172 176.870 0.041 0.000 1.075 170 L CA 0.947 55.715 54.840 -0.120 0.000 0.747 170 L CB -0.332 41.811 42.059 0.141 0.000 0.903 170 L HN 0.219 nan 8.230 nan 0.000 0.435 171 I N -0.020 120.594 120.570 0.072 0.000 2.163 171 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 171 I C 2.261 178.393 176.117 0.025 0.000 1.085 171 I CA 1.752 63.115 61.300 0.106 0.000 1.347 171 I CB -0.470 37.565 38.000 0.058 0.000 1.044 171 I HN 0.348 nan 8.210 nan 0.000 0.408 172 N N 1.157 119.828 118.700 -0.049 0.000 2.058 172 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 172 N C 1.608 177.072 175.510 -0.077 0.000 1.037 172 N CA 1.679 54.690 53.050 -0.065 0.000 0.848 172 N CB -0.074 38.349 38.487 -0.107 0.000 1.021 172 N HN 0.163 nan 8.380 nan 0.000 0.422 173 N N -0.110 118.519 118.700 -0.118 0.000 2.309 173 N HA -0.011 4.729 4.740 -0.000 0.000 0.182 173 N C 1.143 176.604 175.510 -0.082 0.000 1.018 173 N CA 0.532 53.508 53.050 -0.123 0.000 0.876 173 N CB -0.053 38.329 38.487 -0.175 0.000 0.972 173 N HN 0.338 nan 8.380 nan 0.000 0.434 174 I N 0.111 120.669 120.570 -0.019 0.000 2.716 174 I HA 0.045 4.215 4.170 -0.000 0.000 0.259 174 I C 1.884 178.005 176.117 0.007 0.000 1.172 174 I CA 0.422 61.756 61.300 0.057 0.000 1.478 174 I CB -1.104 36.949 38.000 0.087 0.000 1.104 174 I HN 0.007 nan 8.210 nan 0.000 0.439 175 A N 0.280 123.084 122.820 -0.027 0.000 2.016 175 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 175 A C 2.305 179.841 177.584 -0.080 0.000 1.162 175 A CA 0.896 52.891 52.037 -0.070 0.000 0.662 175 A CB -0.072 18.927 19.000 -0.001 0.000 0.812 175 A HN 0.145 nan 8.150 nan 0.000 0.450 176 K N -0.303 120.052 120.400 -0.075 0.000 2.020 176 K HA 0.139 4.459 4.320 -0.000 0.000 0.206 176 K C 2.181 178.707 176.600 -0.124 0.000 1.038 176 K CA 1.266 57.501 56.287 -0.086 0.000 0.947 176 K CB -0.573 31.878 32.500 -0.083 0.000 0.744 176 K HN 0.351 nan 8.250 nan 0.000 0.442 177 A N 0.776 123.477 122.820 -0.197 0.000 2.119 177 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 177 A C 1.216 178.528 177.584 -0.454 0.000 1.152 177 A CA 1.049 52.883 52.037 -0.338 0.000 0.708 177 A CB -0.222 18.507 19.000 -0.451 0.000 0.805 177 A HN 0.294 nan 8.150 nan 0.000 0.460 178 H N -1.906 117.125 119.070 -0.066 0.000 3.233 178 H HA 0.241 4.797 4.556 -0.000 0.000 0.263 178 H C 1.327 176.593 175.328 -0.103 0.000 1.168 178 H CA 0.193 56.199 56.048 -0.070 0.000 1.159 178 H CB 0.177 29.903 29.762 -0.061 0.000 1.593 178 H HN 0.527 nan 8.280 nan 0.000 0.580 179 G N 1.528 110.298 108.800 -0.050 0.000 2.323 179 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.292 179 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.292 179 G C 0.473 175.202 174.900 -0.285 0.000 1.040 179 G CA 0.492 45.499 45.100 -0.155 0.000 0.942 179 G HN 0.683 nan 8.290 nan 0.000 0.506 180 G N -0.947 107.694 108.800 -0.265 0.000 2.590 180 G HA2 0.713 4.673 3.960 -0.000 0.000 0.310 180 G HA3 0.713 4.673 3.960 -0.000 0.000 0.310 180 G C -0.261 174.463 174.900 -0.294 0.000 1.347 180 G CA -1.010 43.902 45.100 -0.312 0.000 0.963 180 G HN 0.206 nan 8.290 nan 0.000 0.494 181 F N 0.789 120.696 119.950 -0.072 0.000 2.399 181 F HA 0.611 5.137 4.527 -0.000 0.000 0.313 181 F C 1.123 176.841 175.800 -0.138 0.000 1.202 181 F CA -0.307 57.601 58.000 -0.152 0.000 1.192 181 F CB 1.256 40.045 39.000 -0.352 0.000 1.256 181 F HN 0.263 nan 8.300 nan 0.000 0.558 182 S N -0.230 115.555 115.700 0.141 0.000 2.568 182 S HA 0.780 5.250 4.470 -0.000 0.000 0.302 182 S C -1.162 173.493 174.600 0.092 0.000 1.082 182 S CA -0.743 57.545 58.200 0.148 0.000 1.009 182 S CB 2.051 65.454 63.200 0.338 0.000 1.069 182 S HN 0.285 nan 8.310 nan 0.000 0.500 183 V N 2.693 122.691 119.914 0.139 0.000 2.483 183 V HA 0.470 4.590 4.120 -0.000 0.000 0.297 183 V C -1.252 175.015 176.094 0.289 0.000 1.027 183 V CA -0.659 61.721 62.300 0.133 0.000 0.855 183 V CB 1.202 33.051 31.823 0.042 0.000 0.995 183 V HN 0.834 nan 8.190 nan 0.000 0.424 184 F N 3.704 123.739 119.950 0.141 0.000 2.361 184 F HA 0.623 5.150 4.527 -0.000 0.000 0.364 184 F C 0.413 176.273 175.800 0.100 0.000 1.117 184 F CA 0.014 58.125 58.000 0.185 0.000 1.071 184 F CB 1.309 40.368 39.000 0.100 0.000 1.188 184 F HN 0.498 nan 8.300 nan 0.000 0.464 185 T N 4.820 119.244 114.554 -0.217 0.000 2.756 185 T HA 0.412 4.762 4.350 -0.000 0.000 0.290 185 T C 0.352 174.931 174.700 -0.201 0.000 0.985 185 T CA -0.578 61.448 62.100 -0.123 0.000 0.955 185 T CB 1.172 69.987 68.868 -0.089 0.000 0.930 185 T HN 0.821 nan 8.240 nan 0.000 0.451 186 G N 2.510 111.394 108.800 0.140 0.000 2.663 186 G HA2 0.446 4.406 3.960 -0.000 0.000 0.320 186 G HA3 0.446 4.406 3.960 -0.000 0.000 0.320 186 G C -0.074 174.905 174.900 0.132 0.000 0.937 186 G CA -0.426 44.801 45.100 0.212 0.000 1.332 186 G HN 0.678 nan 8.290 nan 0.000 0.461 187 V N 2.605 122.547 119.914 0.046 0.000 2.387 187 V HA 0.485 4.604 4.120 -0.000 0.000 0.260 187 V C 1.335 177.461 176.094 0.053 0.000 1.054 187 V CA 0.623 62.959 62.300 0.060 0.000 0.967 187 V CB 0.389 32.252 31.823 0.067 0.000 1.036 187 V HN 1.210 nan 8.190 nan 0.000 0.481 188 G N 3.890 112.717 108.800 0.045 0.000 2.298 188 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.287 188 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.287 188 G C -0.055 174.849 174.900 0.006 0.000 1.075 188 G CA 0.285 45.397 45.100 0.020 0.000 0.960 188 G HN 0.856 nan 8.290 nan 0.000 0.502 189 E N 0.129 120.325 120.200 -0.007 0.000 2.324 189 E HA 0.408 4.758 4.350 -0.000 0.000 0.271 189 E C 1.117 177.658 176.600 -0.097 0.000 1.028 189 E CA -0.415 55.946 56.400 -0.066 0.000 0.890 189 E CB 0.315 29.902 29.700 -0.188 0.000 1.004 189 E HN 0.477 nan 8.360 nan 0.000 0.431 190 R N 3.444 123.898 120.500 -0.078 0.000 2.449 190 R HA 0.045 4.385 4.340 -0.000 0.000 0.296 190 R C 1.071 177.296 176.300 -0.126 0.000 1.047 190 R CA 0.373 56.428 56.100 -0.075 0.000 1.018 190 R CB 0.381 30.653 30.300 -0.046 0.000 0.962 190 R HN 0.699 nan 8.270 nan 0.000 0.428 191 T N 2.462 116.950 114.554 -0.110 0.000 2.635 191 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 191 T C 1.787 176.422 174.700 -0.108 0.000 1.040 191 T CA 1.484 63.508 62.100 -0.126 0.000 1.156 191 T CB -0.188 68.640 68.868 -0.067 0.000 0.863 191 T HN 0.596 nan 8.240 nan 0.000 0.430 192 R N 1.084 121.546 120.500 -0.063 0.000 2.133 192 R HA -0.225 4.115 4.340 -0.000 0.000 0.245 192 R C 2.316 178.589 176.300 -0.045 0.000 1.137 192 R CA 2.239 58.316 56.100 -0.039 0.000 0.947 192 R CB -0.274 30.010 30.300 -0.025 0.000 0.865 192 R HN 0.532 nan 8.270 nan 0.000 0.437 193 E N -1.442 118.722 120.200 -0.061 0.000 2.204 193 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 193 E C 1.808 178.357 176.600 -0.085 0.000 0.989 193 E CA 0.910 57.279 56.400 -0.052 0.000 0.824 193 E CB -0.085 29.594 29.700 -0.034 0.000 0.756 193 E HN 0.627 nan 8.360 nan 0.000 0.477 194 G N 1.263 109.938 108.800 -0.208 0.000 2.403 194 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 194 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 194 G C 1.391 176.246 174.900 -0.075 0.000 1.154 194 G CA 0.505 45.363 45.100 -0.403 0.000 0.784 194 G HN 0.205 nan 8.290 nan 0.000 0.538 195 N N 0.903 119.585 118.700 -0.031 0.000 2.120 195 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 195 N C 1.531 177.104 175.510 0.104 0.000 1.024 195 N CA 1.516 54.618 53.050 0.087 0.000 0.852 195 N CB -0.209 38.306 38.487 0.047 0.000 1.003 195 N HN 0.084 nan 8.380 nan 0.000 0.424 196 D N 0.899 121.325 120.400 0.043 0.000 2.117 196 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 196 D C 1.988 178.314 176.300 0.045 0.000 0.987 196 D CA 0.527 54.546 54.000 0.032 0.000 0.829 196 D CB -0.291 40.511 40.800 0.003 0.000 0.961 196 D HN 0.269 nan 8.370 nan 0.000 0.460 197 L N -0.343 120.913 121.223 0.055 0.000 2.093 197 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 197 L C 2.189 179.127 176.870 0.114 0.000 1.085 197 L CA 1.289 56.152 54.840 0.039 0.000 0.755 197 L CB -0.453 41.607 42.059 0.001 0.000 0.904 197 L HN 0.002 nan 8.230 nan 0.000 0.435 198 Y N 0.346 120.684 120.300 0.065 0.000 2.133 198 Y HA -0.215 4.335 4.550 -0.000 0.000 0.287 198 Y C 2.854 178.770 175.900 0.028 0.000 1.134 198 Y CA 1.935 60.074 58.100 0.064 0.000 1.133 198 Y CB -0.371 38.164 38.460 0.125 0.000 0.987 198 Y HN 0.130 nan 8.280 nan 0.000 0.502 199 R N 0.324 120.806 120.500 -0.029 0.000 2.096 199 R HA -0.206 4.133 4.340 -0.000 0.000 0.235 199 R C 2.291 178.551 176.300 -0.066 0.000 1.127 199 R CA 1.849 57.883 56.100 -0.110 0.000 0.968 199 R CB -0.283 30.010 30.300 -0.013 0.000 0.861 199 R HN 0.540 nan 8.270 nan 0.000 0.440 200 E N -0.235 119.961 120.200 -0.007 0.000 2.158 200 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 200 E C 1.914 178.520 176.600 0.009 0.000 0.982 200 E CA 0.756 57.179 56.400 0.038 0.000 0.823 200 E CB 0.109 29.834 29.700 0.042 0.000 0.766 200 E HN 0.333 nan 8.360 nan 0.000 0.468 201 M N 0.109 119.685 119.600 -0.040 0.000 2.254 201 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 201 M C 1.985 178.233 176.300 -0.086 0.000 1.066 201 M CA 1.102 56.367 55.300 -0.059 0.000 1.123 201 M CB 0.131 32.699 32.600 -0.054 0.000 1.388 201 M HN -0.046 nan 8.290 nan 0.000 0.425 202 K N 0.084 120.398 120.400 -0.144 0.000 2.155 202 K HA -0.102 4.217 4.320 -0.000 0.000 0.203 202 K C 1.696 178.226 176.600 -0.117 0.000 1.052 202 K CA 0.999 57.189 56.287 -0.163 0.000 0.948 202 K CB -0.027 32.312 32.500 -0.269 0.000 0.728 202 K HN 0.415 nan 8.250 nan 0.000 0.448 203 E N 0.087 120.232 120.200 -0.092 0.000 2.072 203 E HA -0.143 4.206 4.350 -0.000 0.000 0.191 203 E C 1.982 178.505 176.600 -0.127 0.000 0.985 203 E CA 1.216 57.561 56.400 -0.092 0.000 0.801 203 E CB 0.023 29.708 29.700 -0.024 0.000 0.750 203 E HN 0.135 nan 8.360 nan 0.000 0.452 204 T N -1.764 112.743 114.554 -0.079 0.000 2.942 204 T HA 0.009 4.359 4.350 -0.000 0.000 0.265 204 T C 1.307 175.958 174.700 -0.082 0.000 1.062 204 T CA 1.410 63.462 62.100 -0.081 0.000 1.139 204 T CB -0.029 68.832 68.868 -0.011 0.000 0.883 204 T HN 0.451 nan 8.240 nan 0.000 0.468 205 G N -0.218 108.538 108.800 -0.073 0.000 2.201 205 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.212 205 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.212 205 G C 1.205 176.077 174.900 -0.046 0.000 0.994 205 G CA 0.607 45.669 45.100 -0.063 0.000 0.644 205 G HN 1.016 nan 8.290 nan 0.000 0.508 206 V N -0.933 118.954 119.914 -0.046 0.000 2.759 206 V HA 0.366 4.486 4.120 -0.000 0.000 0.256 206 V C 1.331 177.408 176.094 -0.028 0.000 1.080 206 V CA 1.402 63.682 62.300 -0.032 0.000 1.101 206 V CB -0.313 31.485 31.823 -0.043 0.000 0.698 206 V HN 0.462 nan 8.190 nan 0.000 0.477 207 I N 1.879 122.425 120.570 -0.040 0.000 2.354 207 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 207 I C -0.255 175.834 176.117 -0.048 0.000 0.989 207 I CA -0.154 61.126 61.300 -0.034 0.000 1.188 207 I CB 1.372 39.358 38.000 -0.024 0.000 1.342 207 I HN 0.086 nan 8.210 nan 0.000 0.457 208 N N 6.839 125.518 118.700 -0.034 0.000 2.727 208 N HA 0.303 5.043 4.740 -0.000 0.000 0.252 208 N C 0.774 176.268 175.510 -0.027 0.000 1.283 208 N CA -0.220 52.809 53.050 -0.035 0.000 0.782 208 N CB 1.080 39.552 38.487 -0.025 0.000 1.199 208 N HN 0.601 nan 8.380 nan 0.000 0.520 209 L N 0.663 121.867 121.223 -0.031 0.000 2.054 209 L HA -0.271 4.069 4.340 -0.000 0.000 0.220 209 L C 1.762 178.625 176.870 -0.011 0.000 1.081 209 L CA 1.840 56.671 54.840 -0.015 0.000 0.780 209 L CB 0.017 42.064 42.059 -0.020 0.000 0.893 209 L HN 0.471 nan 8.230 nan 0.000 0.438 210 E N -0.902 119.289 120.200 -0.016 0.000 2.086 210 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 210 E C 1.536 178.130 176.600 -0.010 0.000 0.975 210 E CA 0.545 56.938 56.400 -0.012 0.000 0.813 210 E CB -0.044 29.648 29.700 -0.013 0.000 0.768 210 E HN 0.497 nan 8.360 nan 0.000 0.457 211 G N 0.497 109.289 108.800 -0.012 0.000 2.803 211 G HA2 0.092 4.052 3.960 -0.000 0.000 0.177 211 G HA3 0.092 4.052 3.960 -0.000 0.000 0.177 211 G C -0.476 174.421 174.900 -0.005 0.000 1.629 211 G CA -0.363 44.733 45.100 -0.007 0.000 1.077 211 G HN 0.028 nan 8.290 nan 0.000 0.556 212 E N -0.606 119.594 120.200 0.001 0.000 2.199 212 E HA 0.487 4.837 4.350 -0.000 0.000 0.265 212 E C -0.778 175.820 176.600 -0.005 0.000 0.882 212 E CA -0.314 56.086 56.400 0.000 0.000 0.759 212 E CB 2.017 31.735 29.700 0.030 0.000 1.148 212 E HN 0.249 nan 8.360 nan 0.000 0.412 213 S N 1.957 117.632 115.700 -0.042 0.000 2.646 213 S HA 0.211 4.681 4.470 -0.000 0.000 0.276 213 S C 0.681 175.240 174.600 -0.069 0.000 1.222 213 S CA -0.700 57.472 58.200 -0.047 0.000 1.014 213 S CB 1.140 64.305 63.200 -0.059 0.000 0.991 213 S HN 0.439 nan 8.310 nan 0.000 0.533 214 K N 0.228 120.635 120.400 0.011 0.000 2.348 214 K HA 0.260 4.579 4.320 -0.000 0.000 0.194 214 K C 0.136 176.766 176.600 0.051 0.000 1.052 214 K CA 0.182 56.557 56.287 0.147 0.000 1.004 214 K CB 0.419 33.040 32.500 0.201 0.000 0.873 214 K HN 0.315 nan 8.250 nan 0.000 0.523 215 V N 0.879 120.785 119.914 -0.013 0.000 2.715 215 V HA 0.679 4.799 4.120 -0.000 0.000 0.310 215 V C -1.523 174.538 176.094 -0.055 0.000 1.054 215 V CA -0.874 61.424 62.300 -0.004 0.000 0.928 215 V CB 1.674 33.521 31.823 0.039 0.000 1.007 215 V HN 0.194 nan 8.190 nan 0.000 0.437 216 A N 6.381 129.174 122.820 -0.045 0.000 2.330 216 A HA 0.826 5.146 4.320 -0.000 0.000 0.327 216 A C -1.062 176.503 177.584 -0.031 0.000 1.155 216 A CA -0.632 51.372 52.037 -0.054 0.000 0.803 216 A CB 0.938 19.903 19.000 -0.057 0.000 1.208 216 A HN 0.823 nan 8.150 nan 0.000 0.477 217 L N 2.994 124.144 121.223 -0.120 0.000 2.305 217 L HA 0.506 4.845 4.340 -0.000 0.000 0.284 217 L C -1.002 175.639 176.870 -0.382 0.000 1.013 217 L CA -0.771 53.913 54.840 -0.259 0.000 0.819 217 L CB 1.712 43.501 42.059 -0.450 0.000 1.227 217 L HN 0.449 nan 8.230 nan 0.000 0.417 218 V N 3.369 123.112 119.914 -0.284 0.000 2.378 218 V HA 0.430 4.550 4.120 -0.000 0.000 0.288 218 V C -0.605 175.453 176.094 -0.059 0.000 1.016 218 V CA -0.486 61.702 62.300 -0.186 0.000 0.840 218 V CB 1.366 33.158 31.823 -0.052 0.000 0.994 218 V HN 0.337 nan 8.190 nan 0.000 0.431 219 F N 2.503 122.475 119.950 0.036 0.000 2.426 219 F HA 0.720 5.247 4.527 -0.000 0.000 0.348 219 F C 0.904 176.717 175.800 0.021 0.000 1.124 219 F CA -1.540 56.483 58.000 0.038 0.000 1.008 219 F CB 2.034 41.051 39.000 0.029 0.000 1.139 219 F HN 0.533 nan 8.300 nan 0.000 0.452 220 G N 3.800 112.740 108.800 0.234 0.000 4.662 220 G HA2 0.282 4.242 3.960 -0.000 0.000 0.328 220 G HA3 0.282 4.242 3.960 -0.000 0.000 0.328 220 G C -0.206 174.741 174.900 0.078 0.000 1.451 220 G CA -0.476 44.697 45.100 0.122 0.000 1.154 220 G HN 0.567 nan 8.290 nan 0.000 0.547 221 Q N 0.405 120.241 119.800 0.060 0.000 2.450 221 Q HA 0.053 4.393 4.340 -0.000 0.000 0.294 221 Q C 1.497 177.498 176.000 0.003 0.000 1.129 221 Q CA 0.281 56.086 55.803 0.003 0.000 0.970 221 Q CB 0.977 29.711 28.738 -0.007 0.000 1.294 221 Q HN 0.458 nan 8.270 nan 0.000 0.453 222 M N 1.604 121.196 119.600 -0.013 0.000 2.117 222 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 222 M C 1.371 177.667 176.300 -0.008 0.000 1.065 222 M CA 1.190 56.484 55.300 -0.011 0.000 1.114 222 M CB -0.209 32.381 32.600 -0.017 0.000 1.361 222 M HN 0.645 nan 8.290 nan 0.000 0.408 223 N N 0.720 119.416 118.700 -0.008 0.000 2.485 223 N HA -0.033 4.707 4.740 -0.000 0.000 0.199 223 N C -0.559 174.951 175.510 0.001 0.000 1.236 223 N CA 0.358 53.406 53.050 -0.005 0.000 0.852 223 N CB -0.400 38.084 38.487 -0.005 0.000 1.018 223 N HN 0.384 nan 8.380 nan 0.000 0.457 224 E N 1.376 121.579 120.200 0.005 0.000 2.277 224 E HA 0.301 4.651 4.350 -0.000 0.000 0.274 224 E C -2.184 174.419 176.600 0.005 0.000 1.022 224 E CA -2.255 54.151 56.400 0.010 0.000 0.853 224 E CB 1.089 30.801 29.700 0.020 0.000 1.086 224 E HN 0.230 nan 8.360 nan 0.000 0.397 225 P HA -0.072 nan 4.420 nan 0.000 0.269 225 P C -2.146 175.153 177.300 -0.001 0.000 1.211 225 P CA -0.912 62.189 63.100 0.002 0.000 0.781 225 P CB 0.006 31.710 31.700 0.006 0.000 0.877 226 P HA -0.216 nan 4.420 nan 0.000 0.217 226 P C 1.660 178.952 177.300 -0.013 0.000 1.151 226 P CA 2.170 65.257 63.100 -0.021 0.000 0.849 226 P CB -0.703 30.981 31.700 -0.027 0.000 0.787 227 G N 0.463 109.264 108.800 0.001 0.000 2.446 227 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 227 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 227 G C 1.834 176.751 174.900 0.028 0.000 1.168 227 G CA 1.348 46.458 45.100 0.016 0.000 0.771 227 G HN 0.380 nan 8.290 nan 0.000 0.551 228 A N 0.704 123.540 122.820 0.027 0.000 1.877 228 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 228 A C 2.431 180.040 177.584 0.042 0.000 1.186 228 A CA 1.786 53.844 52.037 0.036 0.000 0.620 228 A CB -0.426 18.593 19.000 0.032 0.000 0.822 228 A HN 0.337 nan 8.150 nan 0.000 0.443 229 R N -0.716 119.802 120.500 0.031 0.000 2.189 229 R HA 0.005 4.344 4.340 -0.000 0.000 0.223 229 R C 2.148 178.483 176.300 0.059 0.000 1.092 229 R CA 0.985 57.107 56.100 0.038 0.000 0.989 229 R CB -0.280 30.027 30.300 0.011 0.000 0.876 229 R HN 0.534 nan 8.270 nan 0.000 0.457 230 A N 0.178 123.020 122.820 0.036 0.000 2.030 230 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 230 A C 1.695 179.378 177.584 0.164 0.000 1.164 230 A CA 0.596 52.654 52.037 0.033 0.000 0.697 230 A CB 0.150 19.114 19.000 -0.061 0.000 0.827 230 A HN 0.024 nan 8.150 nan 0.000 0.457 231 R N -0.091 120.476 120.500 0.112 0.000 2.223 231 R HA 0.014 4.354 4.340 -0.000 0.000 0.198 231 R C 2.038 178.369 176.300 0.052 0.000 0.984 231 R CA 1.295 57.447 56.100 0.087 0.000 1.018 231 R CB -1.198 29.139 30.300 0.062 0.000 0.945 231 R HN 0.545 nan 8.270 nan 0.000 0.479 232 V N -0.864 119.090 119.914 0.067 0.000 2.392 232 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 232 V C 2.346 178.441 176.094 0.003 0.000 1.059 232 V CA 1.770 64.092 62.300 0.038 0.000 1.051 232 V CB -1.284 30.575 31.823 0.059 0.000 0.658 232 V HN 0.134 nan 8.190 nan 0.000 0.455 233 A N 1.014 123.838 122.820 0.006 0.000 1.978 233 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 233 A C 2.240 179.737 177.584 -0.145 0.000 1.170 233 A CA 2.284 54.248 52.037 -0.122 0.000 0.636 233 A CB -0.648 18.161 19.000 -0.320 0.000 0.810 233 A HN 0.630 nan 8.150 nan 0.000 0.448 234 L N -1.251 119.909 121.223 -0.105 0.000 2.109 234 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 234 L C 2.713 179.526 176.870 -0.096 0.000 1.086 234 L CA 1.452 56.216 54.840 -0.125 0.000 0.760 234 L CB -1.221 40.728 42.059 -0.184 0.000 0.910 234 L HN 0.287 nan 8.230 nan 0.000 0.437 235 T N 0.391 114.903 114.554 -0.071 0.000 2.607 235 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 235 T C 1.877 176.561 174.700 -0.027 0.000 1.049 235 T CA 1.771 63.845 62.100 -0.043 0.000 1.162 235 T CB -0.738 68.116 68.868 -0.024 0.000 0.863 235 T HN 0.553 nan 8.240 nan 0.000 0.424 236 G N 0.932 109.714 108.800 -0.029 0.000 2.448 236 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.219 236 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.219 236 G C 1.529 176.422 174.900 -0.013 0.000 1.127 236 G CA 0.667 45.757 45.100 -0.017 0.000 0.766 236 G HN 0.413 nan 8.290 nan 0.000 0.552 237 L N 0.942 122.140 121.223 -0.042 0.000 2.093 237 L HA 0.050 4.389 4.340 -0.000 0.000 0.208 237 L C 2.793 179.669 176.870 0.010 0.000 1.085 237 L CA 2.395 57.211 54.840 -0.040 0.000 0.755 237 L CB -0.822 41.185 42.059 -0.086 0.000 0.904 237 L HN 0.137 nan 8.230 nan 0.000 0.435 238 T N -0.114 114.447 114.554 0.011 0.000 2.821 238 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 238 T C 1.977 176.743 174.700 0.111 0.000 1.046 238 T CA 1.801 63.928 62.100 0.045 0.000 1.139 238 T CB -0.334 68.543 68.868 0.016 0.000 0.871 238 T HN 0.310 nan 8.240 nan 0.000 0.454 239 I N 1.637 122.276 120.570 0.114 0.000 2.127 239 I HA -0.214 3.956 4.170 -0.000 0.000 0.241 239 I C 2.979 179.335 176.117 0.399 0.000 1.075 239 I CA 1.325 62.756 61.300 0.217 0.000 1.334 239 I CB -0.534 37.559 38.000 0.156 0.000 1.040 239 I HN 0.196 nan 8.210 nan 0.000 0.405 240 A N 0.076 123.043 122.820 0.245 0.000 1.978 240 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 240 A C 2.234 179.981 177.584 0.272 0.000 1.170 240 A CA 1.686 53.866 52.037 0.238 0.000 0.636 240 A CB -0.584 18.462 19.000 0.076 0.000 0.810 240 A HN 0.466 nan 8.150 nan 0.000 0.448 241 E N -1.786 118.527 120.200 0.189 0.000 2.106 241 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 241 E C 1.800 178.482 176.600 0.137 0.000 0.984 241 E CA 1.264 57.740 56.400 0.127 0.000 0.806 241 E CB -0.265 29.481 29.700 0.077 0.000 0.750 241 E HN 0.806 nan 8.360 nan 0.000 0.458 242 Y N 0.178 120.508 120.300 0.050 0.000 2.224 242 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 242 Y C 1.670 177.504 175.900 -0.109 0.000 1.146 242 Y CA 1.518 59.573 58.100 -0.075 0.000 1.182 242 Y CB -0.190 38.154 38.460 -0.192 0.000 0.983 242 Y HN -0.031 nan 8.280 nan 0.000 0.524 243 F N -0.345 119.697 119.950 0.154 0.000 2.604 243 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 243 F C 2.533 178.336 175.800 0.006 0.000 1.131 243 F CA 1.248 59.316 58.000 0.114 0.000 1.457 243 F CB -0.208 38.912 39.000 0.201 0.000 1.095 243 F HN -0.009 nan 8.300 nan 0.000 0.574 244 R N 0.166 120.733 120.500 0.111 0.000 2.103 244 R HA -0.034 4.306 4.340 -0.000 0.000 0.212 244 R C 1.565 177.834 176.300 -0.053 0.000 1.107 244 R CA 0.946 57.063 56.100 0.028 0.000 1.025 244 R CB -0.147 30.169 30.300 0.026 0.000 0.929 244 R HN 0.064 nan 8.270 nan 0.000 0.456 245 D N 0.825 121.165 120.400 -0.100 0.000 2.097 245 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 245 D C 1.566 177.731 176.300 -0.225 0.000 0.984 245 D CA 1.244 55.157 54.000 -0.145 0.000 0.826 245 D CB 0.150 40.865 40.800 -0.142 0.000 0.973 245 D HN 0.318 nan 8.370 nan 0.000 0.460 246 E N 0.339 120.293 120.200 -0.410 0.000 2.244 246 E HA 0.044 4.393 4.350 -0.000 0.000 0.196 246 E C 1.231 177.639 176.600 -0.320 0.000 0.939 246 E CA 0.292 56.388 56.400 -0.506 0.000 0.884 246 E CB 0.198 29.216 29.700 -1.136 0.000 0.850 246 E HN 0.389 nan 8.360 nan 0.000 0.481 247 E N 0.395 120.443 120.200 -0.253 0.000 2.501 247 E HA 0.175 4.525 4.350 -0.000 0.000 0.200 247 E C 0.289 176.883 176.600 -0.010 0.000 1.016 247 E CA 0.051 56.409 56.400 -0.070 0.000 0.921 247 E CB 0.731 30.453 29.700 0.038 0.000 1.034 247 E HN 0.213 nan 8.360 nan 0.000 0.468 248 G N 2.661 111.436 108.800 -0.041 0.000 2.395 248 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.300 248 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.300 248 G C -0.037 174.859 174.900 -0.007 0.000 0.998 248 G CA 0.693 45.776 45.100 -0.027 0.000 1.046 248 G HN 0.255 nan 8.290 nan 0.000 0.513 249 Q N -0.624 119.189 119.800 0.022 0.000 2.241 249 Q HA 0.404 4.743 4.340 -0.000 0.000 0.262 249 Q C -0.716 175.279 176.000 -0.008 0.000 1.014 249 Q CA -0.970 54.839 55.803 0.011 0.000 0.885 249 Q CB 1.309 30.077 28.738 0.051 0.000 1.311 249 Q HN 0.254 nan 8.270 nan 0.000 0.461 250 D N 1.685 122.060 120.400 -0.041 0.000 2.411 250 D HA 0.213 4.853 4.640 -0.000 0.000 0.225 250 D C -0.750 175.523 176.300 -0.044 0.000 1.156 250 D CA 0.076 54.039 54.000 -0.061 0.000 0.874 250 D CB 0.970 41.697 40.800 -0.123 0.000 1.034 250 D HN 0.106 nan 8.370 nan 0.000 0.502 251 V N 2.575 122.475 119.914 -0.023 0.000 2.834 251 V HA 0.443 4.563 4.120 -0.000 0.000 0.313 251 V C 0.485 176.545 176.094 -0.057 0.000 1.060 251 V CA -0.867 61.423 62.300 -0.016 0.000 0.989 251 V CB 2.097 33.943 31.823 0.037 0.000 1.041 251 V HN 0.326 nan 8.190 nan 0.000 0.459 252 L N 3.386 124.567 121.223 -0.070 0.000 2.341 252 L HA 0.551 4.891 4.340 -0.000 0.000 0.278 252 L C -1.014 175.730 176.870 -0.210 0.000 1.005 252 L CA -0.604 54.123 54.840 -0.189 0.000 0.818 252 L CB 1.776 43.704 42.059 -0.218 0.000 1.259 252 L HN 0.450 nan 8.230 nan 0.000 0.418 253 L N 3.738 124.780 121.223 -0.302 0.000 2.305 253 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 253 L C -1.179 175.469 176.870 -0.371 0.000 1.013 253 L CA 0.185 54.890 54.840 -0.225 0.000 0.819 253 L CB 1.016 42.985 42.059 -0.151 0.000 1.227 253 L HN 0.216 nan 8.230 nan 0.000 0.417 254 F N 6.110 126.031 119.950 -0.049 0.000 2.388 254 F HA 0.498 5.025 4.527 -0.000 0.000 0.358 254 F C 0.118 175.731 175.800 -0.311 0.000 1.122 254 F CA -0.389 57.544 58.000 -0.112 0.000 1.056 254 F CB 0.958 39.974 39.000 0.027 0.000 1.155 254 F HN 0.241 nan 8.300 nan 0.000 0.461 255 I N 3.298 123.809 120.570 -0.099 0.000 2.321 255 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 255 I C -0.856 175.182 176.117 -0.131 0.000 0.998 255 I CA -0.278 60.923 61.300 -0.163 0.000 1.227 255 I CB 1.396 39.305 38.000 -0.151 0.000 1.368 255 I HN 0.450 nan 8.210 nan 0.000 0.466 256 D N 6.327 126.613 120.400 -0.189 0.000 2.336 256 D HA 0.210 4.850 4.640 -0.000 0.000 0.248 256 D C -1.233 175.061 176.300 -0.011 0.000 1.326 256 D CA -0.310 53.643 54.000 -0.079 0.000 0.973 256 D CB 0.864 41.603 40.800 -0.102 0.000 1.255 256 D HN 0.384 nan 8.370 nan 0.000 0.558 257 N N 3.608 122.333 118.700 0.041 0.000 2.269 257 N HA 0.268 5.008 4.740 -0.000 0.000 0.304 257 N C 0.591 176.165 175.510 0.107 0.000 1.072 257 N CA -0.515 52.581 53.050 0.076 0.000 0.802 257 N CB 1.923 40.483 38.487 0.120 0.000 1.348 257 N HN 0.429 nan 8.380 nan 0.000 0.484 258 I N 2.484 123.120 120.570 0.109 0.000 2.830 258 I HA -0.102 4.068 4.170 -0.000 0.000 0.263 258 I C 1.395 177.667 176.117 0.258 0.000 1.230 258 I CA 0.578 61.961 61.300 0.138 0.000 1.480 258 I CB -0.049 37.980 38.000 0.048 0.000 1.095 258 I HN 0.518 nan 8.210 nan 0.000 0.455 259 F N 1.604 121.634 119.950 0.133 0.000 2.325 259 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 259 F C 2.308 178.192 175.800 0.140 0.000 1.090 259 F CA 1.247 59.344 58.000 0.163 0.000 1.392 259 F CB -0.239 38.896 39.000 0.226 0.000 1.053 259 F HN -0.105 nan 8.300 nan 0.000 0.521 260 R N -0.994 119.525 120.500 0.032 0.000 2.193 260 R HA -0.094 4.246 4.340 -0.000 0.000 0.213 260 R C 2.085 178.356 176.300 -0.049 0.000 1.055 260 R CA 1.105 57.155 56.100 -0.084 0.000 0.995 260 R CB -0.639 29.673 30.300 0.020 0.000 0.893 260 R HN 0.422 nan 8.270 nan 0.000 0.459 261 F N 1.396 121.292 119.950 -0.091 0.000 2.206 261 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 261 F C 1.935 177.680 175.800 -0.091 0.000 1.090 261 F CA 1.394 59.351 58.000 -0.073 0.000 1.323 261 F CB -0.245 38.725 39.000 -0.050 0.000 1.028 261 F HN -0.203 nan 8.300 nan 0.000 0.492 262 T N 0.362 114.779 114.554 -0.227 0.000 2.737 262 T HA -0.160 4.189 4.350 -0.000 0.000 0.265 262 T C 1.832 176.347 174.700 -0.309 0.000 1.038 262 T CA 1.421 63.337 62.100 -0.308 0.000 1.144 262 T CB -0.237 68.562 68.868 -0.116 0.000 0.866 262 T HN 0.270 nan 8.240 nan 0.000 0.434 263 Q N 0.416 119.971 119.800 -0.408 0.000 2.297 263 Q HA 0.134 4.473 4.340 -0.000 0.000 0.204 263 Q C 2.544 178.411 176.000 -0.222 0.000 0.962 263 Q CA 0.942 56.546 55.803 -0.331 0.000 0.879 263 Q CB -0.352 28.090 28.738 -0.494 0.000 0.947 263 Q HN 0.559 nan 8.270 nan 0.000 0.462 264 A N 0.377 123.059 122.820 -0.231 0.000 1.929 264 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 264 A C 2.288 179.759 177.584 -0.188 0.000 1.176 264 A CA 1.479 53.412 52.037 -0.172 0.000 0.628 264 A CB -0.783 18.137 19.000 -0.134 0.000 0.816 264 A HN 0.418 nan 8.150 nan 0.000 0.444 265 G N -1.038 107.588 108.800 -0.291 0.000 2.408 265 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 265 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 265 G C 1.865 176.685 174.900 -0.133 0.000 1.150 265 G CA 1.319 46.271 45.100 -0.246 0.000 0.776 265 G HN 0.487 nan 8.290 nan 0.000 0.542 266 S N 0.097 115.731 115.700 -0.110 0.000 2.356 266 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 266 S C 2.263 176.821 174.600 -0.070 0.000 1.032 266 S CA 1.753 59.919 58.200 -0.056 0.000 1.005 266 S CB -0.242 62.930 63.200 -0.047 0.000 0.867 266 S HN 0.580 nan 8.310 nan 0.000 0.449 267 E N -0.040 120.109 120.200 -0.085 0.000 2.051 267 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 267 E C 2.125 178.694 176.600 -0.052 0.000 0.991 267 E CA 1.478 57.837 56.400 -0.067 0.000 0.799 267 E CB -0.179 29.480 29.700 -0.069 0.000 0.748 267 E HN 0.338 nan 8.360 nan 0.000 0.449 268 V N 0.593 120.473 119.914 -0.057 0.000 2.261 268 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 268 V C 2.381 178.458 176.094 -0.029 0.000 1.047 268 V CA 1.889 64.165 62.300 -0.039 0.000 1.015 268 V CB -0.619 31.178 31.823 -0.042 0.000 0.642 268 V HN 0.232 nan 8.190 nan 0.000 0.446 269 S N -0.427 115.252 115.700 -0.034 0.000 2.365 269 S HA -0.275 4.195 4.470 -0.000 0.000 0.225 269 S C 2.148 176.738 174.600 -0.017 0.000 1.039 269 S CA 1.798 59.986 58.200 -0.020 0.000 1.033 269 S CB -0.474 62.715 63.200 -0.017 0.000 0.887 269 S HN 0.654 nan 8.310 nan 0.000 0.447 270 A N 0.690 123.495 122.820 -0.024 0.000 1.933 270 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 270 A C 2.131 179.705 177.584 -0.017 0.000 1.175 270 A CA 1.297 53.321 52.037 -0.022 0.000 0.628 270 A CB -0.623 18.357 19.000 -0.032 0.000 0.814 270 A HN 0.548 nan 8.150 nan 0.000 0.444 271 L N -0.800 120.413 121.223 -0.017 0.000 2.156 271 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 271 L C 2.249 179.116 176.870 -0.005 0.000 1.095 271 L CA 0.704 55.537 54.840 -0.012 0.000 0.770 271 L CB -0.303 41.749 42.059 -0.012 0.000 0.914 271 L HN 0.352 nan 8.230 nan 0.000 0.439 272 L N -0.565 120.656 121.223 -0.004 0.000 2.376 272 L HA 0.031 4.371 4.340 -0.000 0.000 0.219 272 L C 1.392 178.264 176.870 0.003 0.000 1.133 272 L CA 0.744 55.585 54.840 0.002 0.000 0.816 272 L CB -0.481 41.581 42.059 0.005 0.000 0.933 272 L HN 0.524 nan 8.230 nan 0.000 0.449 273 G N 0.504 109.303 108.800 -0.001 0.000 2.130 273 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 273 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 273 G C 0.129 175.030 174.900 0.001 0.000 0.999 273 G CA -0.435 44.665 45.100 -0.000 0.000 0.686 273 G HN 0.321 nan 8.290 nan 0.000 0.515 274 R N -0.647 119.854 120.500 0.001 0.000 2.490 274 R HA 0.541 4.881 4.340 -0.000 0.000 0.278 274 R C 0.356 176.658 176.300 0.002 0.000 1.069 274 R CA -0.743 55.359 56.100 0.003 0.000 1.080 274 R CB 0.741 31.044 30.300 0.004 0.000 1.030 274 R HN 0.141 nan 8.270 nan 0.000 0.491 275 I N 4.412 124.985 120.570 0.005 0.000 2.505 275 I HA 0.042 4.211 4.170 -0.000 0.000 0.287 275 I C -1.814 174.308 176.117 0.008 0.000 1.104 275 I CA -1.704 59.599 61.300 0.005 0.000 1.387 275 I CB 0.104 38.108 38.000 0.007 0.000 1.404 275 I HN 0.365 nan 8.210 nan 0.000 0.528 276 P HA 0.022 nan 4.420 nan 0.000 0.265 276 P C 0.042 177.355 177.300 0.021 0.000 1.187 276 P CA 0.128 63.232 63.100 0.006 0.000 0.766 276 P CB 0.623 32.316 31.700 -0.011 0.000 0.820 277 S N 1.948 117.674 115.700 0.044 0.000 2.481 277 S HA 0.583 5.053 4.470 -0.000 0.000 0.267 277 S C -0.008 174.632 174.600 0.066 0.000 1.174 277 S CA -0.227 58.008 58.200 0.058 0.000 1.027 277 S CB -0.094 63.153 63.200 0.079 0.000 1.117 277 S HN 0.520 nan 8.310 nan 0.000 0.495 278 A N 0.248 123.119 122.820 0.085 0.000 2.546 278 A HA 0.407 4.727 4.320 -0.000 0.000 0.243 278 A C 0.994 178.660 177.584 0.137 0.000 1.063 278 A CA 0.375 52.467 52.037 0.092 0.000 0.757 278 A CB -0.808 18.247 19.000 0.091 0.000 0.991 278 A HN 1.596 nan 8.150 nan 0.000 0.503 279 V N 1.416 121.381 119.914 0.085 0.000 2.886 279 V HA -0.322 3.798 4.120 -0.000 0.000 0.162 279 V C 1.839 177.873 176.094 -0.099 0.000 0.448 279 V CA 1.750 64.083 62.300 0.056 0.000 1.186 279 V CB -2.364 29.567 31.823 0.181 0.000 1.373 279 V HN 2.921 nan 8.190 nan 0.000 1.100 280 G N -2.761 105.992 108.800 -0.077 0.000 2.217 280 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.246 280 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.246 280 G C -0.081 174.707 174.900 -0.186 0.000 0.990 280 G CA 0.230 45.237 45.100 -0.156 0.000 0.627 280 G HN 0.863 nan 8.290 nan 0.000 0.522 281 Y N 2.455 122.766 120.300 0.017 0.000 2.385 281 Y HA 0.374 4.924 4.550 -0.000 0.000 0.346 281 Y C 1.508 177.403 175.900 -0.008 0.000 1.270 281 Y CA 0.159 58.261 58.100 0.004 0.000 1.472 281 Y CB 0.396 38.870 38.460 0.023 0.000 1.354 281 Y HN 0.447 nan 8.280 nan 0.000 0.611 282 Q N 3.509 123.403 119.800 0.155 0.000 2.432 282 Q HA 0.035 4.375 4.340 -0.000 0.000 0.264 282 Q C -2.208 173.836 176.000 0.073 0.000 1.035 282 Q CA -1.461 54.383 55.803 0.070 0.000 0.908 282 Q CB 0.555 29.309 28.738 0.027 0.000 1.280 282 Q HN 0.393 nan 8.270 nan 0.000 0.455 283 P HA -0.106 nan 4.420 nan 0.000 0.220 283 P C 0.907 178.230 177.300 0.038 0.000 1.148 283 P CA 1.514 64.639 63.100 0.042 0.000 0.803 283 P CB -0.085 31.632 31.700 0.029 0.000 0.782 284 T N -3.550 111.022 114.554 0.031 0.000 3.188 284 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 284 T C 1.518 176.237 174.700 0.031 0.000 1.077 284 T CA -0.298 61.819 62.100 0.028 0.000 0.967 284 T CB -0.857 68.023 68.868 0.019 0.000 1.006 284 T HN -0.160 nan 8.240 nan 0.000 0.552 285 L N 1.879 123.123 121.223 0.034 0.000 1.997 285 L HA -0.073 4.266 4.340 -0.000 0.000 0.216 285 L C 2.693 179.590 176.870 0.045 0.000 1.074 285 L CA 2.339 57.193 54.840 0.024 0.000 0.763 285 L CB -1.005 41.062 42.059 0.014 0.000 0.890 285 L HN 0.403 nan 8.230 nan 0.000 0.434 286 A N -2.160 120.696 122.820 0.059 0.000 2.016 286 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 286 A C 2.231 179.880 177.584 0.109 0.000 1.162 286 A CA 1.562 53.655 52.037 0.094 0.000 0.662 286 A CB -0.957 18.091 19.000 0.080 0.000 0.812 286 A HN 0.617 nan 8.150 nan 0.000 0.450 287 T N -2.212 112.390 114.554 0.079 0.000 2.851 287 T HA -0.087 4.263 4.350 -0.000 0.000 0.262 287 T C 1.334 176.085 174.700 0.084 0.000 1.043 287 T CA 1.202 63.349 62.100 0.077 0.000 1.140 287 T CB -0.438 68.465 68.868 0.057 0.000 0.872 287 T HN 0.266 nan 8.240 nan 0.000 0.446 288 D N 1.148 121.596 120.400 0.080 0.000 2.133 288 D HA -0.077 4.563 4.640 -0.000 0.000 0.195 288 D C 1.903 178.324 176.300 0.203 0.000 0.997 288 D CA 1.137 55.203 54.000 0.110 0.000 0.840 288 D CB -0.416 40.400 40.800 0.027 0.000 0.947 288 D HN 0.305 nan 8.370 nan 0.000 0.452 289 M N 0.423 120.121 119.600 0.163 0.000 2.175 289 M HA 0.047 4.527 4.480 -0.000 0.000 0.264 289 M C 1.933 178.178 176.300 -0.091 0.000 1.063 289 M CA 1.593 56.961 55.300 0.113 0.000 1.119 289 M CB -0.609 32.046 32.600 0.092 0.000 1.377 289 M HN -0.009 nan 8.290 nan 0.000 0.415 290 G N -0.082 108.725 108.800 0.011 0.000 2.422 290 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 290 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 290 G C 1.471 176.374 174.900 0.004 0.000 1.146 290 G CA 0.830 45.946 45.100 0.025 0.000 0.769 290 G HN 0.495 nan 8.290 nan 0.000 0.547 291 L N -0.464 120.782 121.223 0.039 0.000 2.376 291 L HA 0.114 4.454 4.340 -0.000 0.000 0.219 291 L C 2.467 179.338 176.870 0.002 0.000 1.133 291 L CA 0.058 54.926 54.840 0.046 0.000 0.816 291 L CB -0.057 42.058 42.059 0.093 0.000 0.933 291 L HN 0.232 nan 8.230 nan 0.000 0.449 292 L N -1.225 119.963 121.223 -0.059 0.000 2.189 292 L HA -0.018 4.321 4.340 -0.000 0.000 0.199 292 L C 2.461 179.217 176.870 -0.189 0.000 1.074 292 L CA 1.320 56.055 54.840 -0.174 0.000 0.783 292 L CB -0.372 41.453 42.059 -0.391 0.000 0.955 292 L HN 0.055 nan 8.230 nan 0.000 0.460 293 Q N 0.160 119.815 119.800 -0.242 0.000 2.119 293 Q HA -0.132 4.208 4.340 -0.000 0.000 0.201 293 Q C 1.960 177.903 176.000 -0.094 0.000 0.972 293 Q CA 1.193 56.852 55.803 -0.241 0.000 0.847 293 Q CB -0.332 28.083 28.738 -0.538 0.000 0.903 293 Q HN 0.535 nan 8.270 nan 0.000 0.433 294 E N 0.374 120.548 120.200 -0.044 0.000 2.418 294 E HA -0.064 4.286 4.350 -0.000 0.000 0.197 294 E C 1.642 178.241 176.600 -0.000 0.000 1.026 294 E CA 0.270 56.680 56.400 0.017 0.000 0.862 294 E CB 0.057 29.786 29.700 0.050 0.000 0.799 294 E HN 0.339 nan 8.360 nan 0.000 0.518 295 R N 0.042 120.526 120.500 -0.027 0.000 2.240 295 R HA 0.167 4.507 4.340 -0.000 0.000 0.203 295 R C 0.713 176.991 176.300 -0.036 0.000 1.011 295 R CA 0.194 56.279 56.100 -0.026 0.000 1.007 295 R CB 0.247 30.527 30.300 -0.032 0.000 0.911 295 R HN 0.035 nan 8.270 nan 0.000 0.468 296 I N 1.330 121.868 120.570 -0.053 0.000 2.282 296 I HA 0.119 4.289 4.170 -0.000 0.000 0.290 296 I C 0.060 176.152 176.117 -0.042 0.000 1.090 296 I CA 0.081 61.345 61.300 -0.061 0.000 1.231 296 I CB 1.253 39.197 38.000 -0.094 0.000 1.434 296 I HN -0.081 nan 8.210 nan 0.000 0.487 297 T N 2.606 117.139 114.554 -0.036 0.000 2.693 297 T HA 0.278 4.627 4.350 -0.000 0.000 0.304 297 T C -0.715 173.963 174.700 -0.036 0.000 1.471 297 T CA -0.470 61.611 62.100 -0.031 0.000 0.993 297 T CB 1.575 70.433 68.868 -0.017 0.000 1.554 297 T HN 0.290 nan 8.240 nan 0.000 0.496 298 T N 3.079 117.609 114.554 -0.039 0.000 2.727 298 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 298 T C 0.936 175.608 174.700 -0.046 0.000 0.915 298 T CA -0.213 61.861 62.100 -0.044 0.000 1.066 298 T CB 0.321 69.161 68.868 -0.047 0.000 0.891 298 T HN 0.804 nan 8.240 nan 0.000 0.516 299 T N 1.293 115.821 114.554 -0.043 0.000 2.900 299 T HA 0.307 4.657 4.350 -0.000 0.000 0.326 299 T C 0.903 175.571 174.700 -0.052 0.000 1.145 299 T CA -0.550 61.521 62.100 -0.047 0.000 0.963 299 T CB 0.610 69.454 68.868 -0.041 0.000 1.512 299 T HN 0.429 nan 8.240 nan 0.000 0.552 300 K N 0.008 120.376 120.400 -0.053 0.000 2.437 300 K HA 0.247 4.567 4.320 -0.000 0.000 0.205 300 K C 1.451 178.024 176.600 -0.046 0.000 1.026 300 K CA -0.249 56.007 56.287 -0.051 0.000 1.153 300 K CB 0.277 32.745 32.500 -0.053 0.000 0.863 300 K HN 0.304 nan 8.250 nan 0.000 0.502 301 K N -0.404 119.968 120.400 -0.046 0.000 2.367 301 K HA 0.193 4.512 4.320 -0.000 0.000 0.198 301 K C 0.905 177.480 176.600 -0.042 0.000 1.132 301 K CA 0.520 56.779 56.287 -0.047 0.000 0.941 301 K CB 1.557 34.023 32.500 -0.056 0.000 1.052 301 K HN 0.242 nan 8.250 nan 0.000 0.507 302 G N 0.519 109.295 108.800 -0.040 0.000 2.450 302 G HA2 0.255 4.215 3.960 -0.000 0.000 0.273 302 G HA3 0.255 4.215 3.960 -0.000 0.000 0.273 302 G C -1.566 173.311 174.900 -0.039 0.000 1.221 302 G CA -0.072 45.006 45.100 -0.037 0.000 0.900 302 G HN 0.062 nan 8.290 nan 0.000 0.483 303 S N -1.261 114.417 115.700 -0.037 0.000 2.543 303 S HA 0.625 5.095 4.470 -0.000 0.000 0.271 303 S C -1.337 173.241 174.600 -0.037 0.000 1.148 303 S CA -0.573 57.601 58.200 -0.043 0.000 0.914 303 S CB 1.730 64.895 63.200 -0.059 0.000 1.096 303 S HN 1.209 nan 8.310 nan 0.000 0.471 304 V N 3.349 123.240 119.914 -0.038 0.000 2.347 304 V HA 0.528 4.648 4.120 -0.000 0.000 0.280 304 V C 0.077 176.126 176.094 -0.075 0.000 1.021 304 V CA -0.281 61.990 62.300 -0.047 0.000 0.847 304 V CB 1.084 32.887 31.823 -0.034 0.000 0.990 304 V HN 1.018 nan 8.190 nan 0.000 0.444 305 T N 3.405 117.901 114.554 -0.097 0.000 2.859 305 T HA 0.502 4.852 4.350 -0.000 0.000 0.281 305 T C -0.118 174.468 174.700 -0.190 0.000 1.005 305 T CA -0.417 61.610 62.100 -0.121 0.000 1.025 305 T CB 1.598 70.411 68.868 -0.091 0.000 0.977 305 T HN 0.590 nan 8.240 nan 0.000 0.458 306 S N 1.869 117.441 115.700 -0.213 0.000 2.647 306 S HA 0.572 5.042 4.470 -0.000 0.000 0.300 306 S C -0.758 173.675 174.600 -0.278 0.000 1.129 306 S CA -0.639 57.399 58.200 -0.269 0.000 1.029 306 S CB 0.642 63.716 63.200 -0.210 0.000 1.007 306 S HN 0.479 nan 8.310 nan 0.000 0.484 307 V N 5.758 125.466 119.914 -0.343 0.000 2.370 307 V HA 0.503 4.623 4.120 -0.000 0.000 0.279 307 V C -0.348 175.734 176.094 -0.019 0.000 1.029 307 V CA -0.471 61.736 62.300 -0.154 0.000 0.870 307 V CB 1.242 33.085 31.823 0.033 0.000 0.984 307 V HN 0.859 nan 8.190 nan 0.000 0.451 308 Q N 2.923 122.712 119.800 -0.018 0.000 2.321 308 Q HA 0.707 5.047 4.340 -0.000 0.000 0.270 308 Q C -0.377 175.621 176.000 -0.004 0.000 1.032 308 Q CA -0.585 55.207 55.803 -0.019 0.000 0.784 308 Q CB 2.389 31.078 28.738 -0.081 0.000 1.264 308 Q HN 0.890 nan 8.270 nan 0.000 0.448 309 A N 2.494 125.329 122.820 0.026 0.000 2.444 309 A HA 0.418 4.738 4.320 -0.000 0.000 0.273 309 A C -0.248 177.311 177.584 -0.042 0.000 1.136 309 A CA -0.241 51.800 52.037 0.006 0.000 0.799 309 A CB 0.197 19.235 19.000 0.064 0.000 1.081 309 A HN 0.502 nan 8.150 nan 0.000 0.509 310 V N 3.603 123.396 119.914 -0.202 0.000 2.427 310 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 310 V C -0.531 175.462 176.094 -0.167 0.000 1.034 310 V CA -0.370 61.792 62.300 -0.231 0.000 0.893 310 V CB 1.197 32.704 31.823 -0.527 0.000 0.982 310 V HN 0.784 nan 8.190 nan 0.000 0.452 311 Y N 4.111 124.332 120.300 -0.133 0.000 2.377 311 Y HA 0.656 5.206 4.550 -0.000 0.000 0.339 311 Y C -0.408 175.300 175.900 -0.320 0.000 1.011 311 Y CA -0.766 57.193 58.100 -0.235 0.000 1.093 311 Y CB 1.939 40.238 38.460 -0.269 0.000 1.201 311 Y HN 0.360 nan 8.280 nan 0.000 0.455 312 V N 8.830 128.122 119.914 -1.038 0.000 2.293 312 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 312 V C -2.246 173.274 176.094 -0.957 0.000 1.021 312 V CA -2.170 59.697 62.300 -0.722 0.000 0.815 312 V CB 0.756 32.367 31.823 -0.353 0.000 1.025 312 V HN 0.731 nan 8.190 nan 0.000 0.448 313 P HA 0.015 nan 4.420 nan 0.000 0.261 313 P C 0.781 177.985 177.300 -0.159 0.000 1.173 313 P CA 1.095 64.049 63.100 -0.244 0.000 0.760 313 P CB 0.549 32.270 31.700 0.034 0.000 0.783 314 A N 4.027 126.811 122.820 -0.060 0.000 2.799 314 A HA -0.272 4.048 4.320 -0.000 0.000 0.274 314 A C 0.695 178.236 177.584 -0.071 0.000 1.393 314 A CA 1.260 53.281 52.037 -0.027 0.000 0.909 314 A CB -2.494 16.510 19.000 0.007 0.000 1.012 314 A HN 0.634 nan 8.150 nan 0.000 0.653 315 D N -1.129 119.179 120.400 -0.152 0.000 2.689 315 D HA -0.155 4.485 4.640 -0.000 0.000 0.237 315 D C -0.336 175.901 176.300 -0.105 0.000 1.148 315 D CA 2.051 55.966 54.000 -0.141 0.000 0.656 315 D CB -1.005 39.744 40.800 -0.085 0.000 1.050 315 D HN 0.925 nan 8.370 nan 0.000 0.426 316 D N 0.028 120.358 120.400 -0.116 0.000 2.462 316 D HA 0.272 4.912 4.640 -0.000 0.000 0.245 316 D C 1.210 177.439 176.300 -0.119 0.000 1.122 316 D CA -0.634 53.313 54.000 -0.088 0.000 0.864 316 D CB 0.606 41.378 40.800 -0.047 0.000 1.098 316 D HN 0.038 nan 8.370 nan 0.000 0.541 317 L N 2.292 123.428 121.223 -0.146 0.000 2.201 317 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 317 L C 2.192 178.945 176.870 -0.195 0.000 1.105 317 L CA 1.515 56.218 54.840 -0.227 0.000 0.775 317 L CB -0.268 41.625 42.059 -0.278 0.000 0.913 317 L HN 0.531 nan 8.230 nan 0.000 0.440 318 T N -4.040 110.444 114.554 -0.117 0.000 3.194 318 T HA -0.052 4.298 4.350 -0.000 0.000 0.251 318 T C 0.659 175.338 174.700 -0.034 0.000 1.132 318 T CA -0.410 61.646 62.100 -0.074 0.000 1.028 318 T CB -0.463 68.376 68.868 -0.048 0.000 0.976 318 T HN 0.172 nan 8.240 nan 0.000 0.535 319 D N 2.148 122.531 120.400 -0.030 0.000 2.424 319 D HA 0.081 4.721 4.640 -0.000 0.000 0.244 319 D C -1.474 174.823 176.300 -0.005 0.000 1.134 319 D CA -1.771 52.248 54.000 0.031 0.000 0.881 319 D CB 1.751 42.589 40.800 0.064 0.000 1.191 319 D HN 0.002 nan 8.370 nan 0.000 0.445 320 P HA -0.211 nan 4.420 nan 0.000 0.216 320 P C 0.985 178.137 177.300 -0.247 0.000 1.157 320 P CA 2.069 65.097 63.100 -0.120 0.000 0.880 320 P CB 0.066 31.696 31.700 -0.117 0.000 0.791 321 A N 0.098 122.653 122.820 -0.441 0.000 1.849 321 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 321 A C 0.067 177.678 177.584 0.044 0.000 1.202 321 A CA 2.819 54.709 52.037 -0.245 0.000 0.629 321 A CB -2.366 16.682 19.000 0.080 0.000 0.834 321 A HN 0.240 nan 8.150 nan 0.000 0.447 322 P HA -0.097 nan 4.420 nan 0.000 0.215 322 P C 1.693 179.114 177.300 0.202 0.000 1.157 322 P CA 1.992 65.206 63.100 0.190 0.000 0.859 322 P CB -0.321 31.388 31.700 0.015 0.000 0.786 323 A N -0.007 122.834 122.820 0.035 0.000 1.927 323 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 323 A C 2.369 180.022 177.584 0.115 0.000 1.185 323 A CA 2.925 54.985 52.037 0.038 0.000 0.639 323 A CB -2.051 16.943 19.000 -0.010 0.000 0.820 323 A HN 0.231 nan 8.150 nan 0.000 0.451 324 T N -0.333 114.281 114.554 0.100 0.000 2.701 324 T HA -0.109 4.241 4.350 -0.000 0.000 0.263 324 T C 2.065 176.910 174.700 0.242 0.000 1.040 324 T CA 1.952 64.131 62.100 0.131 0.000 1.147 324 T CB -0.652 68.266 68.868 0.082 0.000 0.865 324 T HN 0.633 nan 8.240 nan 0.000 0.426 325 T N 1.802 116.510 114.554 0.257 0.000 2.708 325 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 325 T C 1.585 176.429 174.700 0.241 0.000 1.037 325 T CA 1.013 63.269 62.100 0.260 0.000 1.146 325 T CB -0.663 68.331 68.868 0.209 0.000 0.865 325 T HN 0.242 nan 8.240 nan 0.000 0.435 326 F N 1.666 121.676 119.950 0.099 0.000 2.449 326 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 326 F C 2.430 178.249 175.800 0.032 0.000 1.092 326 F CA 0.294 58.339 58.000 0.076 0.000 1.446 326 F CB -0.498 38.542 39.000 0.066 0.000 1.084 326 F HN 0.164 nan 8.300 nan 0.000 0.567 327 A N -1.555 121.349 122.820 0.139 0.000 2.119 327 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 327 A C 1.744 179.206 177.584 -0.203 0.000 1.152 327 A CA 1.024 53.031 52.037 -0.051 0.000 0.708 327 A CB -0.675 18.246 19.000 -0.132 0.000 0.805 327 A HN 0.427 nan 8.150 nan 0.000 0.460 328 H N -1.001 118.078 119.070 0.014 0.000 2.592 328 H HA 0.290 4.846 4.556 -0.000 0.000 0.265 328 H C 0.018 175.307 175.328 -0.064 0.000 0.955 328 H CA -0.052 55.983 56.048 -0.022 0.000 1.175 328 H CB 0.186 29.933 29.762 -0.025 0.000 1.433 328 H HN 0.316 nan 8.280 nan 0.000 0.537 329 L N 1.143 122.360 121.223 -0.010 0.000 2.371 329 L HA 0.074 4.414 4.340 -0.000 0.000 0.272 329 L C 0.570 177.399 176.870 -0.068 0.000 1.124 329 L CA 0.060 54.840 54.840 -0.099 0.000 0.816 329 L CB 1.074 42.975 42.059 -0.264 0.000 1.129 329 L HN 0.010 nan 8.230 nan 0.000 0.448 330 D N 0.581 120.935 120.400 -0.077 0.000 2.463 330 D HA 0.260 4.899 4.640 -0.000 0.000 0.237 330 D C 0.196 176.468 176.300 -0.046 0.000 1.013 330 D CA 0.351 54.321 54.000 -0.051 0.000 0.910 330 D CB 0.592 41.362 40.800 -0.050 0.000 1.080 330 D HN 0.584 nan 8.370 nan 0.000 0.498 331 A N -0.188 122.584 122.820 -0.080 0.000 2.532 331 A HA 0.737 5.057 4.320 -0.000 0.000 0.290 331 A C -0.849 176.697 177.584 -0.064 0.000 1.143 331 A CA -0.606 51.402 52.037 -0.049 0.000 0.728 331 A CB 1.374 20.367 19.000 -0.012 0.000 1.317 331 A HN 0.026 nan 8.150 nan 0.000 0.414 332 T N -1.674 112.870 114.554 -0.017 0.000 2.893 332 T HA 0.727 5.077 4.350 -0.000 0.000 0.293 332 T C -0.772 173.958 174.700 0.049 0.000 1.027 332 T CA -0.524 61.575 62.100 -0.002 0.000 0.988 332 T CB 1.653 70.436 68.868 -0.141 0.000 1.043 332 T HN 0.555 nan 8.240 nan 0.000 0.461 333 T N 2.417 117.041 114.554 0.116 0.000 2.892 333 T HA 0.469 4.818 4.350 -0.000 0.000 0.311 333 T C -0.369 174.371 174.700 0.066 0.000 1.033 333 T CA -0.519 61.647 62.100 0.110 0.000 0.991 333 T CB 0.880 69.868 68.868 0.200 0.000 0.981 333 T HN 0.648 nan 8.240 nan 0.000 0.457 334 V N 5.859 125.765 119.914 -0.014 0.000 2.334 334 V HA 0.346 4.465 4.120 -0.000 0.000 0.267 334 V C 0.157 176.248 176.094 -0.005 0.000 1.040 334 V CA -0.665 61.631 62.300 -0.007 0.000 0.866 334 V CB 0.501 32.262 31.823 -0.104 0.000 1.019 334 V HN 0.737 nan 8.190 nan 0.000 0.468 335 L N 4.676 125.911 121.223 0.020 0.000 2.281 335 L HA 0.535 4.875 4.340 -0.000 0.000 0.285 335 L C 0.405 177.297 176.870 0.037 0.000 1.074 335 L CA 0.311 55.150 54.840 -0.002 0.000 0.817 335 L CB 1.468 43.517 42.059 -0.017 0.000 1.168 335 L HN 0.688 nan 8.230 nan 0.000 0.434 336 S N 3.235 118.949 115.700 0.023 0.000 2.557 336 S HA 0.337 4.806 4.470 -0.000 0.000 0.291 336 S C 0.625 175.240 174.600 0.025 0.000 1.116 336 S CA -0.811 57.406 58.200 0.028 0.000 0.992 336 S CB 1.836 65.044 63.200 0.014 0.000 1.028 336 S HN 0.732 nan 8.310 nan 0.000 0.484 337 R N 2.855 123.376 120.500 0.035 0.000 2.285 337 R HA 0.013 4.352 4.340 -0.000 0.000 0.213 337 R C 1.894 178.205 176.300 0.017 0.000 1.068 337 R CA 1.376 57.497 56.100 0.035 0.000 1.004 337 R CB -0.710 29.617 30.300 0.044 0.000 0.873 337 R HN 0.847 nan 8.270 nan 0.000 0.467 338 G N 0.643 109.450 108.800 0.012 0.000 2.443 338 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 338 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 338 G C 1.214 176.110 174.900 -0.007 0.000 1.131 338 G CA 0.259 45.362 45.100 0.005 0.000 0.775 338 G HN 0.164 nan 8.290 nan 0.000 0.547 339 I N 1.830 122.388 120.570 -0.020 0.000 2.494 339 I HA -0.039 4.131 4.170 -0.000 0.000 0.250 339 I C 2.942 178.986 176.117 -0.121 0.000 1.112 339 I CA 1.486 62.756 61.300 -0.050 0.000 1.438 339 I CB -1.091 36.882 38.000 -0.046 0.000 1.111 339 I HN 0.301 nan 8.210 nan 0.000 0.431 340 S N 0.480 116.105 115.700 -0.124 0.000 2.453 340 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 340 S C 1.626 176.149 174.600 -0.129 0.000 1.005 340 S CA 0.676 58.731 58.200 -0.241 0.000 0.949 340 S CB -0.413 62.781 63.200 -0.011 0.000 0.774 340 S HN 0.462 nan 8.310 nan 0.000 0.510 341 E N 0.610 120.787 120.200 -0.037 0.000 2.435 341 E HA 0.229 4.579 4.350 -0.000 0.000 0.195 341 E C 1.377 177.974 176.600 -0.004 0.000 1.029 341 E CA 0.203 56.605 56.400 0.004 0.000 0.865 341 E CB -0.135 29.576 29.700 0.018 0.000 0.833 341 E HN 0.522 nan 8.360 nan 0.000 0.510 342 L N -0.804 120.402 121.223 -0.029 0.000 2.558 342 L HA 0.157 4.497 4.340 -0.000 0.000 0.225 342 L C 1.253 178.117 176.870 -0.011 0.000 1.128 342 L CA 0.388 55.223 54.840 -0.008 0.000 0.868 342 L CB 0.269 42.332 42.059 0.006 0.000 1.006 342 L HN 0.268 nan 8.230 nan 0.000 0.454 343 G N 0.578 109.324 108.800 -0.090 0.000 2.132 343 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.228 343 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.228 343 G C 0.095 174.878 174.900 -0.195 0.000 1.000 343 G CA -0.457 44.596 45.100 -0.078 0.000 0.693 343 G HN 0.122 nan 8.290 nan 0.000 0.515 344 I N 0.722 121.056 120.570 -0.394 0.000 2.315 344 I HA 0.505 4.675 4.170 -0.000 0.000 0.291 344 I C -0.271 175.471 176.117 -0.626 0.000 1.006 344 I CA -1.006 60.096 61.300 -0.330 0.000 1.265 344 I CB 0.449 38.368 38.000 -0.135 0.000 1.387 344 I HN 0.061 nan 8.210 nan 0.000 0.475 345 Y N 6.774 127.015 120.300 -0.097 0.000 2.373 345 Y HA 0.425 4.975 4.550 -0.000 0.000 0.336 345 Y C -2.173 173.537 175.900 -0.317 0.000 0.979 345 Y CA -2.725 55.284 58.100 -0.152 0.000 1.080 345 Y CB 1.747 40.121 38.460 -0.143 0.000 1.190 345 Y HN 0.414 nan 8.280 nan 0.000 0.446 346 P HA 0.119 nan 4.420 nan 0.000 0.272 346 P C -0.149 177.198 177.300 0.079 0.000 1.230 346 P CA -0.248 62.918 63.100 0.110 0.000 0.788 346 P CB 1.165 33.082 31.700 0.363 0.000 0.949 347 A N 2.455 125.340 122.820 0.108 0.000 2.543 347 A HA 0.206 4.526 4.320 -0.000 0.000 0.258 347 A C 0.560 178.141 177.584 -0.004 0.000 1.391 347 A CA -0.241 51.801 52.037 0.008 0.000 1.066 347 A CB -1.146 17.880 19.000 0.043 0.000 0.972 347 A HN 0.358 nan 8.150 nan 0.000 0.560 348 V N 1.154 121.072 119.914 0.007 0.000 2.637 348 V HA 0.036 4.156 4.120 -0.000 0.000 0.296 348 V C 0.365 176.455 176.094 -0.005 0.000 1.046 348 V CA -0.394 61.903 62.300 -0.006 0.000 1.066 348 V CB 1.119 32.969 31.823 0.045 0.000 0.968 348 V HN 0.528 nan 8.190 nan 0.000 0.483 349 D N 7.516 127.908 120.400 -0.012 0.000 2.336 349 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 349 D C -1.364 174.929 176.300 -0.011 0.000 1.213 349 D CA -1.892 52.100 54.000 -0.012 0.000 0.870 349 D CB 1.932 42.719 40.800 -0.021 0.000 1.076 349 D HN 0.285 nan 8.370 nan 0.000 0.483 350 P HA -0.044 nan 4.420 nan 0.000 0.230 350 P C 1.331 178.619 177.300 -0.019 0.000 1.158 350 P CA 0.523 63.614 63.100 -0.016 0.000 0.769 350 P CB 0.601 32.293 31.700 -0.014 0.000 0.807 351 L N -1.223 119.991 121.223 -0.015 0.000 2.470 351 L HA 0.127 4.467 4.340 -0.000 0.000 0.219 351 L C 1.589 178.440 176.870 -0.033 0.000 1.071 351 L CA 0.715 55.544 54.840 -0.019 0.000 0.850 351 L CB -0.241 41.813 42.059 -0.008 0.000 1.040 351 L HN -0.164 nan 8.230 nan 0.000 0.475 352 D N -0.480 119.894 120.400 -0.043 0.000 2.262 352 D HA 0.003 4.643 4.640 -0.000 0.000 0.212 352 D C 0.744 176.988 176.300 -0.092 0.000 0.964 352 D CA 0.385 54.340 54.000 -0.075 0.000 0.875 352 D CB 0.233 40.978 40.800 -0.091 0.000 0.996 352 D HN -0.031 nan 8.370 nan 0.000 0.497 353 S N 1.114 116.776 115.700 -0.063 0.000 2.498 353 S HA 0.237 4.707 4.470 -0.000 0.000 0.281 353 S C 0.195 174.784 174.600 -0.019 0.000 1.265 353 S CA 0.077 58.254 58.200 -0.038 0.000 1.071 353 S CB 0.750 63.957 63.200 0.012 0.000 0.894 353 S HN 0.047 nan 8.310 nan 0.000 0.491 354 K N 1.316 121.706 120.400 -0.016 0.000 2.469 354 K HA 0.587 4.907 4.320 -0.000 0.000 0.254 354 K C -0.790 175.822 176.600 0.020 0.000 0.939 354 K CA -0.528 55.758 56.287 -0.001 0.000 0.812 354 K CB 2.163 34.656 32.500 -0.012 0.000 1.301 354 K HN 0.494 nan 8.250 nan 0.000 0.433 355 S N 0.625 116.342 115.700 0.029 0.000 2.526 355 S HA 0.337 4.807 4.470 -0.000 0.000 0.293 355 S C 0.517 175.133 174.600 0.027 0.000 1.092 355 S CA -0.688 57.533 58.200 0.035 0.000 0.980 355 S CB 1.255 64.492 63.200 0.062 0.000 1.048 355 S HN 0.640 nan 8.310 nan 0.000 0.483 356 R N 2.329 122.840 120.500 0.019 0.000 2.092 356 R HA 0.118 4.458 4.340 -0.000 0.000 0.231 356 R C 1.076 177.388 176.300 0.020 0.000 1.119 356 R CA 0.950 57.061 56.100 0.019 0.000 0.970 356 R CB -0.280 30.025 30.300 0.010 0.000 0.864 356 R HN 0.610 nan 8.270 nan 0.000 0.440 357 L N 1.630 122.862 121.223 0.014 0.000 2.660 357 L HA 0.039 4.378 4.340 -0.000 0.000 0.238 357 L C 0.518 177.383 176.870 -0.007 0.000 1.161 357 L CA -0.086 54.755 54.840 0.003 0.000 0.937 357 L CB -0.190 41.869 42.059 -0.000 0.000 1.122 357 L HN 0.080 nan 8.230 nan 0.000 0.435 358 L N 0.891 122.127 121.223 0.022 0.000 2.536 358 L HA 0.308 4.648 4.340 -0.000 0.000 0.242 358 L C -0.517 176.472 176.870 0.198 0.000 1.280 358 L CA 0.274 55.144 54.840 0.049 0.000 1.221 358 L CB -0.250 41.827 42.059 0.030 0.000 1.449 358 L HN -0.005 nan 8.230 nan 0.000 0.405 359 D N 0.522 120.990 120.400 0.114 0.000 2.601 359 D HA 0.503 5.143 4.640 -0.000 0.000 0.230 359 D C 0.904 177.129 176.300 -0.125 0.000 1.106 359 D CA 0.140 54.147 54.000 0.012 0.000 0.873 359 D CB 2.292 43.075 40.800 -0.029 0.000 1.515 359 D HN 0.196 nan 8.370 nan 0.000 0.468 360 A N 2.409 124.981 122.820 -0.413 0.000 1.917 360 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 360 A C 1.789 179.285 177.584 -0.148 0.000 1.182 360 A CA 2.238 54.067 52.037 -0.348 0.000 0.633 360 A CB -0.762 17.980 19.000 -0.429 0.000 0.819 360 A HN 0.593 nan 8.150 nan 0.000 0.448 361 A N -1.292 121.456 122.820 -0.121 0.000 2.259 361 A HA 0.414 4.734 4.320 -0.000 0.000 0.208 361 A C 1.519 179.075 177.584 -0.047 0.000 1.201 361 A CA 1.042 53.038 52.037 -0.069 0.000 0.824 361 A CB -0.141 18.822 19.000 -0.061 0.000 0.838 361 A HN 0.385 nan 8.150 nan 0.000 0.485 362 V N -1.287 118.598 119.914 -0.049 0.000 3.219 362 V HA -0.013 4.106 4.120 -0.000 0.000 0.240 362 V C 1.811 177.882 176.094 -0.039 0.000 1.222 362 V CA 1.248 63.525 62.300 -0.037 0.000 1.181 362 V CB 0.669 32.470 31.823 -0.037 0.000 0.941 362 V HN 0.468 nan 8.190 nan 0.000 0.471 363 V N -1.863 118.018 119.914 -0.055 0.000 3.528 363 V HA 0.796 4.916 4.120 -0.000 0.000 0.294 363 V C 0.814 176.937 176.094 0.048 0.000 1.404 363 V CA 0.129 62.389 62.300 -0.066 0.000 1.065 363 V CB -0.428 31.171 31.823 -0.374 0.000 0.904 363 V HN 0.809 nan 8.190 nan 0.000 0.435 364 G N 0.913 109.732 108.800 0.031 0.000 2.781 364 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.683 364 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.683 364 G C 0.007 174.956 174.900 0.083 0.000 1.390 364 G CA 0.428 45.560 45.100 0.052 0.000 0.850 364 G HN 0.466 nan 8.290 nan 0.000 0.557 365 Q N -0.412 119.431 119.800 0.070 0.000 2.172 365 Q HA 0.058 4.398 4.340 -0.000 0.000 0.200 365 Q C 2.482 178.578 176.000 0.159 0.000 0.964 365 Q CA 2.520 58.378 55.803 0.091 0.000 0.855 365 Q CB -0.147 28.623 28.738 0.054 0.000 0.918 365 Q HN 0.730 nan 8.270 nan 0.000 0.444 366 E N -0.793 119.493 120.200 0.143 0.000 2.006 366 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 366 E C 1.893 178.611 176.600 0.197 0.000 0.993 366 E CA 1.140 57.627 56.400 0.145 0.000 0.808 366 E CB -0.378 29.388 29.700 0.111 0.000 0.764 366 E HN 0.470 nan 8.360 nan 0.000 0.449 367 H N 0.225 119.354 119.070 0.098 0.000 2.357 367 H HA -0.219 4.337 4.556 -0.000 0.000 0.296 367 H C 1.938 177.325 175.328 0.097 0.000 1.108 367 H CA 1.984 58.084 56.048 0.086 0.000 1.273 367 H CB -0.524 29.287 29.762 0.081 0.000 1.367 367 H HN 0.249 nan 8.280 nan 0.000 0.498 368 Y N 1.359 121.767 120.300 0.180 0.000 2.089 368 Y HA -0.181 4.368 4.550 -0.000 0.000 0.282 368 Y C 2.351 178.301 175.900 0.083 0.000 1.139 368 Y CA 2.105 60.254 58.100 0.081 0.000 1.123 368 Y CB -0.359 38.115 38.460 0.024 0.000 0.980 368 Y HN 0.147 nan 8.280 nan 0.000 0.493 369 D N -0.540 119.990 120.400 0.217 0.000 2.144 369 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 369 D C 2.363 178.680 176.300 0.030 0.000 0.984 369 D CA 1.498 55.561 54.000 0.106 0.000 0.834 369 D CB -0.292 40.603 40.800 0.159 0.000 0.955 369 D HN 0.313 nan 8.370 nan 0.000 0.465 370 V N 1.266 121.216 119.914 0.061 0.000 2.295 370 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 370 V C 2.545 178.630 176.094 -0.016 0.000 1.049 370 V CA 1.800 64.128 62.300 0.048 0.000 1.024 370 V CB -0.831 31.033 31.823 0.070 0.000 0.648 370 V HN 0.177 nan 8.190 nan 0.000 0.447 371 A N -0.240 122.556 122.820 -0.039 0.000 1.877 371 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 371 A C 2.493 179.981 177.584 -0.159 0.000 1.186 371 A CA 2.286 54.261 52.037 -0.104 0.000 0.620 371 A CB -0.799 18.166 19.000 -0.059 0.000 0.822 371 A HN 0.501 nan 8.150 nan 0.000 0.443 372 S N -0.373 115.177 115.700 -0.249 0.000 2.370 372 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 372 S C 2.006 176.535 174.600 -0.118 0.000 1.033 372 S CA 1.687 59.726 58.200 -0.269 0.000 1.011 372 S CB -0.225 62.743 63.200 -0.388 0.000 0.852 372 S HN 0.598 nan 8.310 nan 0.000 0.457 373 K N 0.560 120.921 120.400 -0.065 0.000 2.031 373 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 373 K C 2.109 178.702 176.600 -0.012 0.000 1.049 373 K CA 0.986 57.262 56.287 -0.018 0.000 0.939 373 K CB -0.394 32.115 32.500 0.014 0.000 0.717 373 K HN 0.148 nan 8.250 nan 0.000 0.438 374 V N 1.932 121.835 119.914 -0.020 0.000 2.282 374 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 374 V C 2.290 178.367 176.094 -0.028 0.000 1.057 374 V CA 1.834 64.124 62.300 -0.017 0.000 1.032 374 V CB -0.500 31.275 31.823 -0.080 0.000 0.645 374 V HN 0.393 nan 8.190 nan 0.000 0.447 375 Q N -0.575 119.193 119.800 -0.053 0.000 2.020 375 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 375 Q C 2.388 178.379 176.000 -0.016 0.000 0.982 375 Q CA 1.981 57.759 55.803 -0.042 0.000 0.838 375 Q CB -0.221 28.478 28.738 -0.065 0.000 0.899 375 Q HN 0.678 nan 8.270 nan 0.000 0.423 376 E N -0.448 119.741 120.200 -0.018 0.000 2.268 376 E HA -0.138 4.211 4.350 -0.000 0.000 0.195 376 E C 1.508 178.120 176.600 0.019 0.000 0.995 376 E CA 1.265 57.665 56.400 -0.001 0.000 0.836 376 E CB 0.260 29.958 29.700 -0.004 0.000 0.763 376 E HN 0.357 nan 8.360 nan 0.000 0.491 377 T N 0.813 115.380 114.554 0.021 0.000 2.732 377 T HA -0.098 4.252 4.350 -0.000 0.000 0.261 377 T C 1.893 176.634 174.700 0.068 0.000 1.040 377 T CA 0.693 62.815 62.100 0.036 0.000 1.145 377 T CB -0.218 68.663 68.868 0.021 0.000 0.866 377 T HN 0.117 nan 8.240 nan 0.000 0.427 378 L N 0.886 122.145 121.223 0.061 0.000 2.131 378 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 378 L C 2.872 179.821 176.870 0.132 0.000 1.092 378 L CA 1.079 55.987 54.840 0.112 0.000 0.759 378 L CB -0.430 41.671 42.059 0.069 0.000 0.903 378 L HN 0.185 nan 8.230 nan 0.000 0.435 379 Q N -0.193 119.649 119.800 0.071 0.000 2.079 379 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 379 Q C 2.148 178.176 176.000 0.047 0.000 0.974 379 Q CA 2.237 58.067 55.803 0.045 0.000 0.840 379 Q CB -0.275 28.476 28.738 0.021 0.000 0.898 379 Q HN 0.548 nan 8.270 nan 0.000 0.430 380 T N -1.722 112.869 114.554 0.062 0.000 3.085 380 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 380 T C 1.420 176.177 174.700 0.094 0.000 1.127 380 T CA 0.768 62.903 62.100 0.057 0.000 1.103 380 T CB -0.413 68.484 68.868 0.049 0.000 0.921 380 T HN 0.339 nan 8.240 nan 0.000 0.510 381 Y N 2.355 122.653 120.300 -0.004 0.000 2.206 381 Y HA 0.174 4.724 4.550 -0.000 0.000 0.292 381 Y C 2.413 178.310 175.900 -0.005 0.000 1.123 381 Y CA 0.968 59.065 58.100 -0.004 0.000 1.142 381 Y CB -0.186 38.272 38.460 -0.003 0.000 1.006 381 Y HN -0.066 nan 8.280 nan 0.000 0.518 382 K N 0.483 120.834 120.400 -0.082 0.000 2.097 382 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 382 K C 2.039 178.554 176.600 -0.142 0.000 1.049 382 K CA 1.794 57.987 56.287 -0.158 0.000 0.933 382 K CB -0.523 31.956 32.500 -0.035 0.000 0.717 382 K HN 0.518 nan 8.250 nan 0.000 0.442 383 S N 0.094 115.746 115.700 -0.079 0.000 2.481 383 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 383 S C 1.953 176.510 174.600 -0.072 0.000 0.996 383 S CA 0.426 58.590 58.200 -0.059 0.000 0.942 383 S CB -0.149 63.035 63.200 -0.027 0.000 0.768 383 S HN 0.325 nan 8.310 nan 0.000 0.520 384 L N 0.380 121.542 121.223 -0.102 0.000 2.556 384 L HA 0.198 4.538 4.340 -0.000 0.000 0.226 384 L C 2.538 179.326 176.870 -0.137 0.000 1.089 384 L CA 0.027 54.812 54.840 -0.093 0.000 0.864 384 L CB -0.319 41.706 42.059 -0.057 0.000 1.067 384 L HN 0.199 nan 8.230 nan 0.000 0.477 385 Q N 0.607 120.272 119.800 -0.225 0.000 2.268 385 Q HA -0.242 4.098 4.340 -0.000 0.000 0.210 385 Q C 1.176 177.100 176.000 -0.128 0.000 0.988 385 Q CA 1.530 57.192 55.803 -0.235 0.000 0.883 385 Q CB -0.181 28.388 28.738 -0.283 0.000 0.911 385 Q HN 0.565 nan 8.270 nan 0.000 0.430 386 D N 0.474 120.816 120.400 -0.097 0.000 2.123 386 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 386 D C 2.058 178.329 176.300 -0.048 0.000 0.976 386 D CA 1.004 54.967 54.000 -0.063 0.000 0.831 386 D CB -0.259 40.511 40.800 -0.051 0.000 0.974 386 D HN 0.477 nan 8.370 nan 0.000 0.469 387 I N -1.623 118.919 120.570 -0.047 0.000 2.617 387 I HA -0.079 4.091 4.170 -0.000 0.000 0.256 387 I C 1.777 177.876 176.117 -0.030 0.000 1.167 387 I CA 0.433 61.713 61.300 -0.033 0.000 1.469 387 I CB -0.198 37.787 38.000 -0.025 0.000 1.098 387 I HN -0.192 nan 8.210 nan 0.000 0.436 388 I N 2.612 123.156 120.570 -0.042 0.000 2.361 388 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 388 I C 2.955 179.056 176.117 -0.026 0.000 1.133 388 I CA 1.571 62.851 61.300 -0.033 0.000 1.413 388 I CB -1.631 36.339 38.000 -0.050 0.000 1.073 388 I HN 0.359 nan 8.210 nan 0.000 0.424 389 A N 0.645 123.445 122.820 -0.033 0.000 1.972 389 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 389 A C 2.029 179.603 177.584 -0.017 0.000 1.169 389 A CA 1.442 53.464 52.037 -0.025 0.000 0.635 389 A CB -0.366 18.617 19.000 -0.029 0.000 0.810 389 A HN 0.513 nan 8.150 nan 0.000 0.446 390 I N -2.888 117.672 120.570 -0.016 0.000 4.310 390 I HA 0.229 4.399 4.170 -0.000 0.000 0.328 390 I C 1.112 177.224 176.117 -0.010 0.000 1.406 390 I CA 0.042 61.335 61.300 -0.012 0.000 1.174 390 I CB 0.376 38.369 38.000 -0.012 0.000 1.279 390 I HN 0.117 nan 8.210 nan 0.000 0.471 391 L N 0.558 121.775 121.223 -0.010 0.000 2.588 391 L HA 0.610 4.950 4.340 -0.000 0.000 0.194 391 L C 0.979 177.846 176.870 -0.004 0.000 1.070 391 L CA 0.614 55.450 54.840 -0.007 0.000 0.852 391 L CB 0.515 42.570 42.059 -0.008 0.000 1.199 391 L HN 0.357 nan 8.230 nan 0.000 0.486 392 G N -0.647 108.151 108.800 -0.003 0.000 2.497 392 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 392 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 392 G C -0.127 174.776 174.900 0.005 0.000 1.288 392 G CA -0.306 44.795 45.100 0.002 0.000 0.899 392 G HN -0.040 nan 8.290 nan 0.000 0.608 393 M N 0.036 119.643 119.600 0.011 0.000 2.686 393 M HA 0.026 4.506 4.480 -0.000 0.000 0.246 393 M C 1.575 177.882 176.300 0.012 0.000 1.096 393 M CA 1.351 56.660 55.300 0.016 0.000 1.076 393 M CB -0.317 32.297 32.600 0.022 0.000 1.504 393 M HN 0.581 nan 8.290 nan 0.000 0.524 394 D N 0.537 120.942 120.400 0.008 0.000 2.269 394 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 394 D C 0.619 176.922 176.300 0.005 0.000 0.963 394 D CA 0.861 54.865 54.000 0.006 0.000 0.864 394 D CB 0.127 40.929 40.800 0.004 0.000 0.936 394 D HN 0.202 nan 8.370 nan 0.000 0.505 395 E N 0.632 120.835 120.200 0.005 0.000 2.434 395 E HA 0.254 4.604 4.350 -0.000 0.000 0.243 395 E C -0.370 176.233 176.600 0.005 0.000 1.250 395 E CA -0.096 56.306 56.400 0.003 0.000 1.568 395 E CB 0.224 29.924 29.700 -0.000 0.000 1.435 395 E HN 0.313 nan 8.360 nan 0.000 0.432 396 L N 0.988 122.216 121.223 0.008 0.000 2.441 396 L HA 0.246 4.586 4.340 -0.000 0.000 0.270 396 L C 0.430 177.307 176.870 0.012 0.000 0.973 396 L CA -0.810 54.037 54.840 0.012 0.000 0.842 396 L CB 1.882 43.952 42.059 0.019 0.000 1.239 396 L HN 0.023 nan 8.230 nan 0.000 0.406 397 S N 0.863 116.569 115.700 0.011 0.000 2.606 397 S HA 0.158 4.628 4.470 -0.000 0.000 0.257 397 S C 0.986 175.593 174.600 0.011 0.000 1.327 397 S CA -0.660 57.546 58.200 0.010 0.000 0.984 397 S CB 1.034 64.239 63.200 0.008 0.000 0.941 397 S HN 0.605 nan 8.310 nan 0.000 0.576 398 E N 0.565 120.770 120.200 0.009 0.000 2.097 398 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 398 E C 1.950 178.556 176.600 0.010 0.000 1.000 398 E CA 1.692 58.097 56.400 0.009 0.000 0.804 398 E CB -0.366 29.338 29.700 0.007 0.000 0.740 398 E HN 0.848 nan 8.360 nan 0.000 0.454 399 Q N 0.022 119.829 119.800 0.011 0.000 2.269 399 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 399 Q C 1.561 177.571 176.000 0.017 0.000 0.946 399 Q CA 0.570 56.380 55.803 0.013 0.000 0.877 399 Q CB 0.330 29.076 28.738 0.012 0.000 0.963 399 Q HN 0.176 nan 8.270 nan 0.000 0.472 400 D N 0.960 121.371 120.400 0.019 0.000 2.123 400 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 400 D C 1.582 177.901 176.300 0.033 0.000 0.976 400 D CA 1.350 55.365 54.000 0.025 0.000 0.831 400 D CB 0.129 40.941 40.800 0.021 0.000 0.974 400 D HN 0.394 nan 8.370 nan 0.000 0.469 401 K N 0.497 120.913 120.400 0.027 0.000 2.366 401 K HA -0.029 4.291 4.320 -0.000 0.000 0.198 401 K C 2.045 178.660 176.600 0.025 0.000 1.044 401 K CA 0.306 56.611 56.287 0.030 0.000 0.973 401 K CB 0.021 32.534 32.500 0.023 0.000 0.767 401 K HN 0.009 nan 8.250 nan 0.000 0.475 402 L N 2.474 123.708 121.223 0.018 0.000 2.068 402 L HA -0.052 4.288 4.340 -0.000 0.000 0.204 402 L C 2.162 179.034 176.870 0.003 0.000 1.076 402 L CA 2.180 57.025 54.840 0.009 0.000 0.753 402 L CB -0.711 41.352 42.059 0.007 0.000 0.910 402 L HN 0.407 nan 8.230 nan 0.000 0.439 403 T N -3.998 110.563 114.554 0.012 0.000 2.995 403 T HA -0.064 4.285 4.350 -0.000 0.000 0.269 403 T C 1.871 176.574 174.700 0.005 0.000 1.091 403 T CA 1.062 63.166 62.100 0.008 0.000 1.128 403 T CB -0.828 68.054 68.868 0.022 0.000 0.891 403 T HN 0.132 nan 8.240 nan 0.000 0.492 404 V N 1.660 121.598 119.914 0.040 0.000 2.358 404 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 404 V C 2.807 178.879 176.094 -0.038 0.000 1.047 404 V CA 1.959 64.307 62.300 0.079 0.000 1.035 404 V CB -0.555 31.367 31.823 0.164 0.000 0.658 404 V HN 0.587 nan 8.190 nan 0.000 0.452 405 E N 0.230 120.414 120.200 -0.027 0.000 2.058 405 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 405 E C 2.471 178.998 176.600 -0.121 0.000 0.997 405 E CA 1.424 57.790 56.400 -0.056 0.000 0.801 405 E CB -0.062 29.622 29.700 -0.026 0.000 0.746 405 E HN 0.485 nan 8.360 nan 0.000 0.450 406 R N -0.116 120.316 120.500 -0.114 0.000 2.092 406 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 406 R C 2.408 178.579 176.300 -0.215 0.000 1.119 406 R CA 0.894 56.901 56.100 -0.156 0.000 0.970 406 R CB -0.247 30.001 30.300 -0.086 0.000 0.864 406 R HN 0.179 nan 8.270 nan 0.000 0.440 407 A N 1.272 123.956 122.820 -0.226 0.000 1.851 407 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 407 A C 2.080 179.400 177.584 -0.440 0.000 1.195 407 A CA 1.194 53.032 52.037 -0.331 0.000 0.622 407 A CB -0.514 18.215 19.000 -0.453 0.000 0.831 407 A HN 0.176 nan 8.150 nan 0.000 0.444 408 R N -0.248 119.933 120.500 -0.531 0.000 2.139 408 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 408 R C 2.148 178.301 176.300 -0.245 0.000 1.145 408 R CA 1.961 57.836 56.100 -0.375 0.000 0.976 408 R CB -0.281 29.880 30.300 -0.232 0.000 0.866 408 R HN 0.614 nan 8.270 nan 0.000 0.449 409 K N -0.074 120.123 120.400 -0.339 0.000 2.007 409 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 409 K C 2.165 178.484 176.600 -0.467 0.000 1.047 409 K CA 1.158 57.089 56.287 -0.593 0.000 0.937 409 K CB -0.168 31.705 32.500 -1.045 0.000 0.718 409 K HN 0.075 nan 8.250 nan 0.000 0.438 410 I N 1.725 122.118 120.570 -0.295 0.000 2.118 410 I HA -0.369 3.801 4.170 -0.000 0.000 0.241 410 I C 2.928 179.137 176.117 0.153 0.000 1.070 410 I CA 1.458 62.780 61.300 0.037 0.000 1.327 410 I CB -0.366 37.700 38.000 0.109 0.000 1.034 410 I HN 0.310 nan 8.210 nan 0.000 0.405 411 Q N 1.247 121.055 119.800 0.013 0.000 2.077 411 Q HA -0.279 4.060 4.340 -0.000 0.000 0.206 411 Q C 2.381 178.435 176.000 0.089 0.000 0.989 411 Q CA 1.929 57.750 55.803 0.031 0.000 0.853 411 Q CB -0.086 28.622 28.738 -0.050 0.000 0.907 411 Q HN 0.459 nan 8.270 nan 0.000 0.418 412 R N -0.812 119.747 120.500 0.098 0.000 2.115 412 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 412 R C 2.138 178.600 176.300 0.270 0.000 1.111 412 R CA 1.071 57.292 56.100 0.201 0.000 0.976 412 R CB -0.271 30.171 30.300 0.237 0.000 0.870 412 R HN 0.271 nan 8.270 nan 0.000 0.445 413 F N 1.297 121.302 119.950 0.092 0.000 2.365 413 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 413 F C 1.555 177.459 175.800 0.175 0.000 1.090 413 F CA 0.837 58.906 58.000 0.116 0.000 1.408 413 F CB -0.072 38.931 39.000 0.005 0.000 1.060 413 F HN -0.085 nan 8.300 nan 0.000 0.534 414 L N -0.283 121.052 121.223 0.188 0.000 2.275 414 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 414 L C 1.449 178.299 176.870 -0.033 0.000 1.119 414 L CA 0.539 55.429 54.840 0.084 0.000 0.790 414 L CB -0.937 41.168 42.059 0.076 0.000 0.919 414 L HN 0.111 nan 8.230 nan 0.000 0.443 415 S N -0.129 115.539 115.700 -0.052 0.000 2.576 415 S HA 0.258 4.728 4.470 -0.000 0.000 0.276 415 S C -0.279 174.202 174.600 -0.197 0.000 1.339 415 S CA -0.500 57.610 58.200 -0.149 0.000 1.039 415 S CB 1.644 64.712 63.200 -0.218 0.000 0.902 415 S HN 0.286 nan 8.310 nan 0.000 0.516 416 Q N 1.435 121.075 119.800 -0.266 0.000 2.280 416 Q HA 0.356 4.696 4.340 -0.000 0.000 0.259 416 Q C -3.023 172.779 176.000 -0.329 0.000 0.964 416 Q CA -2.034 53.623 55.803 -0.244 0.000 0.844 416 Q CB 2.212 30.854 28.738 -0.159 0.000 1.334 416 Q HN 0.543 nan 8.270 nan 0.000 0.423 417 P HA 0.121 nan 4.420 nan 0.000 0.276 417 P C -0.856 176.470 177.300 0.045 0.000 1.264 417 P CA -0.017 63.017 63.100 -0.110 0.000 0.769 417 P CB 0.101 31.766 31.700 -0.059 0.000 0.840 418 F N 2.205 122.149 119.950 -0.009 0.000 2.418 418 F HA 0.277 4.804 4.527 -0.000 0.000 0.341 418 F C 1.859 177.647 175.800 -0.020 0.000 1.120 418 F CA -0.956 57.034 58.000 -0.017 0.000 1.232 418 F CB 0.140 39.137 39.000 -0.004 0.000 1.175 418 F HN 0.386 nan 8.300 nan 0.000 0.569 419 A N 2.380 125.297 122.820 0.161 0.000 1.929 419 A HA -0.043 4.276 4.320 -0.000 0.000 0.216 419 A C 2.062 179.660 177.584 0.023 0.000 1.176 419 A CA 1.643 53.710 52.037 0.050 0.000 0.628 419 A CB -1.041 17.958 19.000 -0.002 0.000 0.816 419 A HN 0.650 nan 8.150 nan 0.000 0.444 420 V N -2.847 117.076 119.914 0.015 0.000 2.626 420 V HA 0.088 4.208 4.120 -0.000 0.000 0.252 420 V C 2.043 178.169 176.094 0.055 0.000 1.067 420 V CA 1.489 63.792 62.300 0.005 0.000 1.081 420 V CB -1.198 30.611 31.823 -0.023 0.000 0.686 420 V HN 0.504 nan 8.190 nan 0.000 0.468 421 A N -0.197 122.702 122.820 0.131 0.000 2.411 421 A HA 0.258 4.578 4.320 -0.000 0.000 0.251 421 A C 1.890 179.529 177.584 0.091 0.000 1.317 421 A CA 0.514 52.660 52.037 0.183 0.000 0.904 421 A CB -0.561 18.568 19.000 0.215 0.000 0.993 421 A HN 0.642 nan 8.150 nan 0.000 0.504 422 E N -0.229 119.977 120.200 0.010 0.000 2.158 422 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 422 E C 1.725 178.275 176.600 -0.083 0.000 0.982 422 E CA 1.389 57.776 56.400 -0.022 0.000 0.823 422 E CB 0.001 29.683 29.700 -0.030 0.000 0.766 422 E HN 0.522 nan 8.360 nan 0.000 0.468 423 V N -1.330 118.459 119.914 -0.208 0.000 2.970 423 V HA -0.074 4.046 4.120 -0.000 0.000 0.260 423 V C 1.463 177.317 176.094 -0.400 0.000 1.100 423 V CA 1.091 63.171 62.300 -0.367 0.000 1.122 423 V CB -0.573 30.905 31.823 -0.575 0.000 0.721 423 V HN 0.138 nan 8.190 nan 0.000 0.483 424 F N 1.524 121.464 119.950 -0.017 0.000 2.653 424 F HA 0.186 4.713 4.527 -0.000 0.000 0.288 424 F C 2.469 178.254 175.800 -0.024 0.000 1.121 424 F CA 1.001 58.987 58.000 -0.023 0.000 1.384 424 F CB -0.405 38.576 39.000 -0.032 0.000 1.115 424 F HN 0.287 nan 8.300 nan 0.000 0.599 425 T N -4.476 110.161 114.554 0.138 0.000 3.018 425 T HA 0.442 4.792 4.350 -0.000 0.000 0.246 425 T C 1.890 176.619 174.700 0.049 0.000 1.026 425 T CA 0.756 62.902 62.100 0.077 0.000 1.081 425 T CB 0.294 69.191 68.868 0.049 0.000 0.970 425 T HN 0.334 nan 8.240 nan 0.000 0.475 426 G N 1.671 110.488 108.800 0.028 0.000 2.195 426 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.246 426 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.246 426 G C 0.008 174.915 174.900 0.011 0.000 0.984 426 G CA -0.000 45.107 45.100 0.012 0.000 0.633 426 G HN 0.667 nan 8.290 nan 0.000 0.525 427 I N 3.129 123.710 120.570 0.017 0.000 2.342 427 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 427 I C -1.728 174.393 176.117 0.008 0.000 1.010 427 I CA -2.355 58.953 61.300 0.012 0.000 1.308 427 I CB 1.197 39.203 38.000 0.011 0.000 1.400 427 I HN -0.138 nan 8.210 nan 0.000 0.488 428 P HA -0.030 nan 4.420 nan 0.000 0.260 428 P C 0.098 177.404 177.300 0.009 0.000 1.172 428 P CA 0.066 63.166 63.100 0.001 0.000 0.760 428 P CB 0.220 31.918 31.700 -0.005 0.000 0.773 429 G N 3.896 112.707 108.800 0.019 0.000 2.390 429 G HA2 0.285 4.245 3.960 -0.000 0.000 0.270 429 G HA3 0.285 4.245 3.960 -0.000 0.000 0.270 429 G C -0.169 174.754 174.900 0.038 0.000 1.211 429 G CA -0.469 44.659 45.100 0.048 0.000 0.842 429 G HN 0.253 nan 8.290 nan 0.000 0.519 430 K N 1.140 121.574 120.400 0.055 0.000 2.118 430 K HA 0.493 4.813 4.320 -0.000 0.000 0.254 430 K C -0.765 175.861 176.600 0.043 0.000 0.961 430 K CA -0.830 55.476 56.287 0.033 0.000 0.876 430 K CB 2.551 35.060 32.500 0.014 0.000 1.077 430 K HN 0.382 nan 8.250 nan 0.000 0.440 431 L N 1.654 122.881 121.223 0.006 0.000 2.529 431 L HA 0.242 4.582 4.340 -0.000 0.000 0.260 431 L C -1.370 175.485 176.870 -0.024 0.000 0.997 431 L CA -0.715 54.116 54.840 -0.015 0.000 0.885 431 L CB 1.363 43.395 42.059 -0.045 0.000 1.185 431 L HN 0.211 nan 8.230 nan 0.000 0.442 432 V N 4.030 123.934 119.914 -0.016 0.000 2.498 432 V HA 0.429 4.549 4.120 -0.000 0.000 0.279 432 V C 0.528 176.608 176.094 -0.024 0.000 1.048 432 V CA -0.552 61.738 62.300 -0.017 0.000 0.967 432 V CB 1.268 33.082 31.823 -0.016 0.000 0.988 432 V HN 0.641 nan 8.190 nan 0.000 0.473 433 R N 2.480 122.967 120.500 -0.022 0.000 2.357 433 R HA 0.241 4.581 4.340 -0.000 0.000 0.296 433 R C 1.098 177.393 176.300 -0.007 0.000 1.052 433 R CA -0.667 55.420 56.100 -0.021 0.000 0.988 433 R CB 1.122 31.407 30.300 -0.024 0.000 1.025 433 R HN 0.661 nan 8.270 nan 0.000 0.469 434 L N 3.725 124.947 121.223 -0.002 0.000 2.085 434 L HA -0.335 4.004 4.340 -0.000 0.000 0.218 434 L C 1.807 178.659 176.870 -0.031 0.000 1.080 434 L CA 2.023 56.854 54.840 -0.015 0.000 0.776 434 L CB -0.101 41.974 42.059 0.026 0.000 0.891 434 L HN 0.526 nan 8.230 nan 0.000 0.437 435 K N -0.698 119.701 120.400 -0.001 0.000 2.097 435 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 435 K C 1.933 178.544 176.600 0.018 0.000 1.050 435 K CA 1.482 57.774 56.287 0.008 0.000 0.938 435 K CB -0.679 31.833 32.500 0.020 0.000 0.718 435 K HN 0.499 nan 8.250 nan 0.000 0.442 436 D N 0.552 120.965 120.400 0.021 0.000 2.097 436 D HA -0.082 4.557 4.640 -0.000 0.000 0.197 436 D C 1.659 178.002 176.300 0.071 0.000 0.984 436 D CA 1.400 55.424 54.000 0.040 0.000 0.826 436 D CB 0.082 40.900 40.800 0.029 0.000 0.973 436 D HN 0.210 nan 8.370 nan 0.000 0.460 437 T N 0.617 115.204 114.554 0.055 0.000 2.821 437 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 437 T C 2.294 177.090 174.700 0.160 0.000 1.046 437 T CA 0.594 62.760 62.100 0.111 0.000 1.139 437 T CB -0.291 68.592 68.868 0.025 0.000 0.871 437 T HN -0.029 nan 8.240 nan 0.000 0.454 438 V N 1.834 121.759 119.914 0.018 0.000 2.270 438 V HA -0.103 4.017 4.120 -0.000 0.000 0.245 438 V C 2.980 179.143 176.094 0.115 0.000 1.043 438 V CA 1.650 63.951 62.300 0.002 0.000 1.014 438 V CB -1.246 30.512 31.823 -0.109 0.000 0.645 438 V HN 0.536 nan 8.190 nan 0.000 0.447 439 A N -0.350 122.530 122.820 0.100 0.000 2.019 439 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 439 A C 2.439 180.114 177.584 0.152 0.000 1.164 439 A CA 2.042 54.145 52.037 0.112 0.000 0.644 439 A CB -0.517 18.532 19.000 0.081 0.000 0.805 439 A HN 0.524 nan 8.150 nan 0.000 0.449 440 S N -0.668 115.142 115.700 0.184 0.000 2.338 440 S HA -0.060 4.409 4.470 -0.000 0.000 0.218 440 S C 1.580 176.295 174.600 0.191 0.000 1.032 440 S CA 1.375 59.684 58.200 0.181 0.000 0.999 440 S CB -0.571 62.772 63.200 0.239 0.000 0.905 440 S HN 0.552 nan 8.310 nan 0.000 0.439 441 F N 1.938 122.026 119.950 0.230 0.000 2.234 441 F HA 0.020 4.547 4.527 -0.000 0.000 0.299 441 F C 2.327 178.209 175.800 0.137 0.000 1.087 441 F CA 0.946 59.070 58.000 0.206 0.000 1.340 441 F CB -0.207 38.878 39.000 0.142 0.000 1.031 441 F HN 0.099 nan 8.300 nan 0.000 0.500 442 K N 0.432 120.998 120.400 0.277 0.000 2.057 442 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 442 K C 2.252 178.941 176.600 0.150 0.000 1.049 442 K CA 1.222 57.617 56.287 0.179 0.000 0.931 442 K CB -0.266 32.316 32.500 0.136 0.000 0.714 442 K HN 0.213 nan 8.250 nan 0.000 0.440 443 A N 0.462 123.386 122.820 0.172 0.000 1.969 443 A HA -0.071 4.248 4.320 -0.000 0.000 0.218 443 A C 2.145 179.832 177.584 0.172 0.000 1.169 443 A CA 1.339 53.475 52.037 0.166 0.000 0.635 443 A CB -0.395 18.771 19.000 0.276 0.000 0.810 443 A HN 0.165 nan 8.150 nan 0.000 0.445 444 V N 0.101 120.155 119.914 0.232 0.000 2.343 444 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 444 V C 2.499 178.652 176.094 0.099 0.000 1.051 444 V CA 1.833 64.253 62.300 0.199 0.000 1.036 444 V CB -0.913 30.964 31.823 0.091 0.000 0.654 444 V HN 0.554 nan 8.190 nan 0.000 0.451 445 L N -0.170 121.116 121.223 0.105 0.000 2.079 445 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 445 L C 2.566 179.461 176.870 0.042 0.000 1.081 445 L CA 1.711 56.595 54.840 0.074 0.000 0.752 445 L CB -0.564 41.551 42.059 0.093 0.000 0.896 445 L HN 0.383 nan 8.230 nan 0.000 0.433 446 E N -0.335 119.886 120.200 0.034 0.000 2.208 446 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 446 E C 0.999 177.589 176.600 -0.017 0.000 0.988 446 E CA 0.604 57.008 56.400 0.007 0.000 0.828 446 E CB 0.090 29.789 29.700 -0.001 0.000 0.763 446 E HN 0.516 nan 8.360 nan 0.000 0.478 447 G N 1.270 110.054 108.800 -0.028 0.000 2.427 447 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 447 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 447 G C 0.340 175.167 174.900 -0.121 0.000 1.086 447 G CA -0.014 45.058 45.100 -0.047 0.000 0.818 447 G HN 0.097 nan 8.290 nan 0.000 0.490 448 K N -0.947 119.316 120.400 -0.229 0.000 2.334 448 K HA 0.221 4.540 4.320 -0.000 0.000 0.195 448 K C 0.017 176.167 176.600 -0.751 0.000 1.045 448 K CA 0.665 56.624 56.287 -0.547 0.000 1.004 448 K CB 0.507 32.534 32.500 -0.788 0.000 0.837 448 K HN 0.526 nan 8.250 nan 0.000 0.510 449 Y N 0.086 120.391 120.300 0.009 0.000 2.490 449 Y HA 0.214 4.764 4.550 -0.000 0.000 0.346 449 Y C -0.355 175.580 175.900 0.059 0.000 1.023 449 Y CA -0.759 57.361 58.100 0.033 0.000 1.142 449 Y CB 0.607 39.095 38.460 0.048 0.000 1.126 449 Y HN -0.093 nan 8.280 nan 0.000 0.647 450 D N -0.296 120.163 120.400 0.099 0.000 2.389 450 D HA -0.058 4.582 4.640 -0.000 0.000 0.206 450 D C 1.614 177.953 176.300 0.065 0.000 1.055 450 D CA 0.585 54.624 54.000 0.065 0.000 0.856 450 D CB 0.243 41.053 40.800 0.017 0.000 0.957 450 D HN 0.446 nan 8.370 nan 0.000 0.509 451 N N 0.738 119.479 118.700 0.067 0.000 2.446 451 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 451 N C 0.383 175.937 175.510 0.074 0.000 1.054 451 N CA 0.236 53.319 53.050 0.055 0.000 0.905 451 N CB 0.448 38.956 38.487 0.034 0.000 0.973 451 N HN 0.072 nan 8.380 nan 0.000 0.448 452 I N 3.216 123.858 120.570 0.120 0.000 2.529 452 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 452 I C -1.833 174.382 176.117 0.162 0.000 1.082 452 I CA -2.370 59.000 61.300 0.117 0.000 1.406 452 I CB 0.097 38.154 38.000 0.096 0.000 1.405 452 I HN -0.048 nan 8.210 nan 0.000 0.548 453 P HA 0.159 nan 4.420 nan 0.000 0.272 453 P C 0.326 177.770 177.300 0.240 0.000 1.240 453 P CA -0.262 62.919 63.100 0.134 0.000 0.791 453 P CB 1.023 32.778 31.700 0.091 0.000 0.978 454 E N -0.167 120.161 120.200 0.213 0.000 2.150 454 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 454 E C 1.661 178.459 176.600 0.330 0.000 0.985 454 E CA 1.080 57.637 56.400 0.262 0.000 0.814 454 E CB -0.449 29.323 29.700 0.120 0.000 0.752 454 E HN 0.585 nan 8.360 nan 0.000 0.466 455 H N 0.152 119.299 119.070 0.129 0.000 2.545 455 H HA 0.075 4.631 4.556 -0.000 0.000 0.282 455 H C 1.657 177.045 175.328 0.101 0.000 1.020 455 H CA 0.958 57.064 56.048 0.096 0.000 1.243 455 H CB 0.089 29.866 29.762 0.025 0.000 1.377 455 H HN 0.163 nan 8.280 nan 0.000 0.581 456 A N -0.767 122.064 122.820 0.017 0.000 2.066 456 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 456 A C 1.465 178.851 177.584 -0.331 0.000 1.157 456 A CA 0.672 52.579 52.037 -0.217 0.000 0.670 456 A CB -0.601 18.183 19.000 -0.360 0.000 0.804 456 A HN 0.411 nan 8.150 nan 0.000 0.453 457 F N -2.501 117.405 119.950 -0.073 0.000 2.743 457 F HA 0.180 4.707 4.527 -0.000 0.000 0.297 457 F C 0.719 176.597 175.800 0.131 0.000 1.131 457 F CA -0.138 57.845 58.000 -0.027 0.000 1.426 457 F CB -0.132 38.827 39.000 -0.068 0.000 1.116 457 F HN 0.273 nan 8.300 nan 0.000 0.583 458 Y N 1.865 122.201 120.300 0.060 0.000 2.393 458 Y HA 0.270 4.820 4.550 -0.000 0.000 0.338 458 Y C 0.610 176.486 175.900 -0.039 0.000 1.029 458 Y CA -1.243 56.855 58.100 -0.003 0.000 1.239 458 Y CB 0.162 38.554 38.460 -0.112 0.000 1.170 458 Y HN 0.038 nan 8.280 nan 0.000 0.515 459 M N 5.622 124.993 119.600 -0.381 0.000 2.298 459 M HA -0.159 4.321 4.480 -0.000 0.000 0.196 459 M C -1.347 174.882 176.300 -0.118 0.000 0.531 459 M CA 0.752 55.863 55.300 -0.315 0.000 0.459 459 M CB -2.649 29.726 32.600 -0.376 0.000 1.279 459 M HN 0.382 nan 8.290 nan 0.000 0.915 460 V N -3.134 116.755 119.914 -0.041 0.000 2.962 460 V HA 1.040 5.160 4.120 -0.000 0.000 0.313 460 V C 0.787 176.889 176.094 0.013 0.000 1.099 460 V CA -0.164 62.141 62.300 0.008 0.000 0.971 460 V CB 1.680 33.526 31.823 0.039 0.000 1.028 460 V HN 0.423 nan 8.190 nan 0.000 0.430 461 G N 1.804 110.607 108.800 0.006 0.000 2.832 461 G HA2 0.487 4.447 3.960 -0.000 0.000 0.187 461 G HA3 0.487 4.447 3.960 -0.000 0.000 0.187 461 G C 0.657 175.563 174.900 0.010 0.000 1.817 461 G CA 0.134 45.227 45.100 -0.012 0.000 0.896 461 G HN 1.325 nan 8.290 nan 0.000 0.453 462 G N -0.724 108.090 108.800 0.023 0.000 2.529 462 G HA2 0.279 4.239 3.960 -0.000 0.000 0.277 462 G HA3 0.279 4.239 3.960 -0.000 0.000 0.277 462 G C 0.944 175.902 174.900 0.097 0.000 1.383 462 G CA 0.192 45.319 45.100 0.045 0.000 1.050 462 G HN 0.407 nan 8.290 nan 0.000 0.526 463 I N -0.882 119.726 120.570 0.064 0.000 2.439 463 I HA -0.004 4.166 4.170 -0.000 0.000 0.251 463 I C 2.395 178.455 176.117 -0.096 0.000 1.139 463 I CA 1.466 62.763 61.300 -0.006 0.000 1.438 463 I CB -0.238 37.762 38.000 -0.000 0.000 1.085 463 I HN 0.659 nan 8.210 nan 0.000 0.427 464 E N 0.102 120.271 120.200 -0.052 0.000 2.285 464 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 464 E C 1.374 177.925 176.600 -0.082 0.000 0.997 464 E CA 1.051 57.411 56.400 -0.066 0.000 0.845 464 E CB -0.028 29.651 29.700 -0.034 0.000 0.782 464 E HN 0.524 nan 8.360 nan 0.000 0.491 465 D N -0.319 120.043 120.400 -0.065 0.000 2.269 465 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 465 D C 1.793 178.019 176.300 -0.124 0.000 0.963 465 D CA 0.545 54.506 54.000 -0.066 0.000 0.864 465 D CB 0.101 40.886 40.800 -0.025 0.000 0.936 465 D HN 0.045 nan 8.370 nan 0.000 0.505 466 V N 0.105 119.897 119.914 -0.203 0.000 2.379 466 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 466 V C 2.473 178.350 176.094 -0.362 0.000 1.044 466 V CA 0.827 62.893 62.300 -0.390 0.000 1.036 466 V CB -0.610 30.789 31.823 -0.707 0.000 0.664 466 V HN 0.080 nan 8.190 nan 0.000 0.453 467 V N 0.518 120.260 119.914 -0.287 0.000 2.427 467 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 467 V C 2.776 178.790 176.094 -0.134 0.000 1.051 467 V CA 1.951 64.132 62.300 -0.198 0.000 1.048 467 V CB -0.876 30.863 31.823 -0.139 0.000 0.666 467 V HN 0.549 nan 8.190 nan 0.000 0.456 468 A N -0.549 122.202 122.820 -0.115 0.000 1.902 468 A HA -0.262 4.057 4.320 -0.000 0.000 0.217 468 A C 2.330 179.868 177.584 -0.078 0.000 1.181 468 A CA 2.200 54.190 52.037 -0.079 0.000 0.623 468 A CB -0.406 18.556 19.000 -0.063 0.000 0.818 468 A HN 0.508 nan 8.150 nan 0.000 0.443 469 K N -0.637 119.702 120.400 -0.103 0.000 2.116 469 K HA 0.092 4.412 4.320 -0.000 0.000 0.203 469 K C 2.077 178.623 176.600 -0.089 0.000 1.052 469 K CA 0.855 57.089 56.287 -0.089 0.000 0.952 469 K CB -0.238 32.198 32.500 -0.106 0.000 0.729 469 K HN 0.360 nan 8.250 nan 0.000 0.446 470 A N 1.139 123.879 122.820 -0.134 0.000 2.070 470 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 470 A C 1.446 178.990 177.584 -0.065 0.000 1.159 470 A CA 1.420 53.387 52.037 -0.117 0.000 0.656 470 A CB -0.263 18.635 19.000 -0.171 0.000 0.800 470 A HN 0.410 nan 8.150 nan 0.000 0.453 471 E N -0.925 119.240 120.200 -0.059 0.000 2.474 471 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 471 E C 1.245 177.830 176.600 -0.025 0.000 1.041 471 E CA 0.107 56.485 56.400 -0.036 0.000 0.874 471 E CB 0.201 29.880 29.700 -0.035 0.000 0.914 471 E HN 0.369 nan 8.360 nan 0.000 0.498 472 K N 0.161 120.546 120.400 -0.025 0.000 2.276 472 K HA 0.135 4.455 4.320 -0.000 0.000 0.198 472 K C 1.854 178.454 176.600 0.001 0.000 1.052 472 K CA 0.210 56.490 56.287 -0.011 0.000 0.984 472 K CB 0.353 32.846 32.500 -0.011 0.000 0.836 472 K HN 0.144 nan 8.250 nan 0.000 0.490 473 L N 0.736 121.961 121.223 0.003 0.000 2.478 473 L HA 0.021 4.361 4.340 -0.000 0.000 0.223 473 L C 2.138 179.014 176.870 0.011 0.000 1.140 473 L CA 0.441 55.294 54.840 0.021 0.000 0.842 473 L CB -0.183 41.903 42.059 0.044 0.000 0.953 473 L HN 0.051 nan 8.230 nan 0.000 0.452 474 A N -0.336 122.484 122.820 -0.001 0.000 1.956 474 A HA 0.449 4.769 4.320 -0.000 0.000 0.212 474 A C 1.237 178.820 177.584 -0.002 0.000 1.188 474 A CA 0.788 52.824 52.037 -0.002 0.000 0.675 474 A CB -0.036 18.960 19.000 -0.006 0.000 0.845 474 A HN 0.276 nan 8.150 nan 0.000 0.455 475 A N 0.000 122.818 122.820 -0.003 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486