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 3oeh_1_X DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAFGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.711 174.700 0.019 0.000 1.109 7 T CA 0.000 62.108 62.100 0.013 0.000 1.349 7 T CB 0.000 68.875 68.868 0.012 0.000 0.612 8 P HA 0.353 nan 4.420 nan 0.000 0.268 8 P C 0.047 177.375 177.300 0.046 0.000 1.204 8 P CA -0.673 62.446 63.100 0.032 0.000 0.768 8 P CB 0.787 32.504 31.700 0.028 0.000 0.842 9 I N 2.581 123.194 120.570 0.071 0.000 2.533 9 I HA 0.137 4.307 4.170 -0.000 0.000 0.284 9 I C -0.142 176.065 176.117 0.151 0.000 1.109 9 I CA 0.065 61.437 61.300 0.120 0.000 1.412 9 I CB 0.466 38.552 38.000 0.144 0.000 1.396 9 I HN 0.534 nan 8.210 nan 0.000 0.543 10 T N 3.462 118.065 114.554 0.081 0.000 2.887 10 T HA 0.858 5.208 4.350 -0.000 0.000 0.288 10 T C -0.149 174.375 174.700 -0.294 0.000 1.021 10 T CA -0.648 61.417 62.100 -0.058 0.000 1.000 10 T CB 1.782 70.613 68.868 -0.060 0.000 1.034 10 T HN 0.827 nan 8.240 nan 0.000 0.467 11 G N 0.948 109.369 108.800 -0.632 0.000 2.694 11 G HA2 0.649 4.609 3.960 -0.000 0.000 0.290 11 G HA3 0.649 4.609 3.960 -0.000 0.000 0.290 11 G C -1.425 173.172 174.900 -0.504 0.000 1.386 11 G CA -1.174 43.357 45.100 -0.948 0.000 0.872 11 G HN 0.763 nan 8.290 nan 0.000 0.475 12 K N -0.243 119.956 120.400 -0.335 0.000 2.110 12 K HA 0.525 4.845 4.320 -0.000 0.000 0.263 12 K C -0.463 176.072 176.600 -0.108 0.000 0.975 12 K CA -0.650 55.552 56.287 -0.142 0.000 0.895 12 K CB 2.453 34.939 32.500 -0.023 0.000 1.060 12 K HN 0.166 nan 8.250 nan 0.000 0.448 13 V N 2.933 122.805 119.914 -0.070 0.000 2.455 13 V HA -0.017 4.103 4.120 -0.000 0.000 0.273 13 V C 1.143 177.226 176.094 -0.019 0.000 1.045 13 V CA 0.222 62.499 62.300 -0.038 0.000 0.976 13 V CB 0.853 32.657 31.823 -0.032 0.000 0.993 13 V HN 1.022 nan 8.190 nan 0.000 0.475 14 T N 1.638 116.190 114.554 -0.003 0.000 3.040 14 T HA 0.526 4.876 4.350 -0.000 0.000 0.252 14 T C 0.485 175.180 174.700 -0.010 0.000 1.064 14 T CA 0.538 62.635 62.100 -0.006 0.000 1.110 14 T CB 0.482 69.353 68.868 0.006 0.000 0.921 14 T HN 0.907 nan 8.240 nan 0.000 0.480 15 A N 0.454 123.271 122.820 -0.005 0.000 2.604 15 A HA 0.674 4.994 4.320 -0.000 0.000 0.295 15 A C -1.719 175.862 177.584 -0.004 0.000 1.067 15 A CA -0.761 51.273 52.037 -0.005 0.000 0.683 15 A CB 1.703 20.701 19.000 -0.003 0.000 1.281 15 A HN 0.248 nan 8.150 nan 0.000 0.407 16 V N 2.407 122.318 119.914 -0.005 0.000 2.445 16 V HA 0.429 4.549 4.120 -0.000 0.000 0.283 16 V C -0.828 175.264 176.094 -0.004 0.000 1.014 16 V CA 0.012 62.310 62.300 -0.004 0.000 0.852 16 V CB 0.798 32.618 31.823 -0.005 0.000 1.021 16 V HN 0.671 nan 8.190 nan 0.000 0.435 17 I N 3.849 124.417 120.570 -0.003 0.000 2.410 17 I HA 0.669 4.839 4.170 -0.000 0.000 0.286 17 I C 1.286 177.401 176.117 -0.004 0.000 1.009 17 I CA -0.025 61.273 61.300 -0.004 0.000 1.111 17 I CB 1.497 39.495 38.000 -0.003 0.000 1.262 17 I HN 0.738 nan 8.210 nan 0.000 0.443 18 G N 5.428 114.225 108.800 -0.004 0.000 3.434 18 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.343 18 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.343 18 G C 0.734 175.632 174.900 -0.003 0.000 1.240 18 G CA 0.908 46.005 45.100 -0.005 0.000 0.996 18 G HN 0.942 nan 8.290 nan 0.000 0.650 19 A N -1.104 121.714 122.820 -0.003 0.000 2.600 19 A HA 0.647 4.967 4.320 -0.000 0.000 0.252 19 A C 0.474 178.059 177.584 0.002 0.000 1.200 19 A CA 0.217 52.254 52.037 -0.001 0.000 0.981 19 A CB 0.549 19.548 19.000 -0.002 0.000 1.207 19 A HN 0.572 nan 8.150 nan 0.000 0.577 20 I N 2.455 123.026 120.570 0.001 0.000 2.301 20 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 20 I C -0.595 175.524 176.117 0.004 0.000 1.046 20 I CA -0.172 61.130 61.300 0.003 0.000 1.282 20 I CB 0.838 38.839 38.000 0.002 0.000 1.409 20 I HN -0.048 nan 8.210 nan 0.000 0.484 21 V N 5.816 125.735 119.914 0.008 0.000 2.398 21 V HA 0.341 4.461 4.120 -0.000 0.000 0.286 21 V C -0.283 175.818 176.094 0.012 0.000 1.026 21 V CA -0.913 61.391 62.300 0.007 0.000 0.868 21 V CB 1.768 33.595 31.823 0.007 0.000 0.982 21 V HN 0.531 nan 8.190 nan 0.000 0.443 22 D N 3.210 123.616 120.400 0.011 0.000 2.256 22 D HA 0.568 5.208 4.640 -0.000 0.000 0.250 22 D C -0.476 175.839 176.300 0.026 0.000 1.093 22 D CA 0.022 54.033 54.000 0.019 0.000 0.882 22 D CB 1.881 42.691 40.800 0.016 0.000 1.185 22 D HN 0.362 nan 8.370 nan 0.000 0.437 23 V N 1.927 121.871 119.914 0.050 0.000 2.525 23 V HA 0.268 4.388 4.120 -0.000 0.000 0.299 23 V C -0.622 175.543 176.094 0.119 0.000 1.034 23 V CA -0.931 61.400 62.300 0.050 0.000 0.863 23 V CB 1.438 33.309 31.823 0.080 0.000 0.999 23 V HN 0.569 nan 8.190 nan 0.000 0.423 24 H N 4.129 123.176 119.070 -0.039 0.000 2.467 24 H HA 0.692 5.248 4.556 -0.000 0.000 0.331 24 H C -1.544 173.733 175.328 -0.085 0.000 1.120 24 H CA -0.532 55.522 56.048 0.008 0.000 1.270 24 H CB 1.115 30.867 29.762 -0.017 0.000 1.466 24 H HN 0.456 nan 8.280 nan 0.000 0.504 25 F N 2.774 122.296 119.950 -0.713 0.000 2.480 25 F HA 0.213 4.740 4.527 -0.000 0.000 0.329 25 F C 1.255 176.726 175.800 -0.548 0.000 1.091 25 F CA -0.589 57.128 58.000 -0.472 0.000 0.972 25 F CB 1.971 40.825 39.000 -0.244 0.000 1.150 25 F HN 0.664 nan 8.300 nan 0.000 0.467 26 E N 1.026 121.150 120.200 -0.127 0.000 2.152 26 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 26 E C 0.259 176.867 176.600 0.013 0.000 0.983 26 E CA 0.658 57.030 56.400 -0.046 0.000 0.818 26 E CB -0.099 29.593 29.700 -0.015 0.000 0.758 26 E HN 0.663 nan 8.360 nan 0.000 0.467 27 Q N -0.115 119.719 119.800 0.055 0.000 2.241 27 Q HA 0.407 4.747 4.340 -0.000 0.000 0.262 27 Q C 0.868 176.887 176.000 0.032 0.000 1.014 27 Q CA -0.393 55.438 55.803 0.048 0.000 0.885 27 Q CB 1.646 30.418 28.738 0.057 0.000 1.311 27 Q HN -0.230 nan 8.270 nan 0.000 0.461 28 S N 0.361 116.074 115.700 0.020 0.000 2.359 28 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 28 S C 0.253 174.850 174.600 -0.005 0.000 1.035 28 S CA 1.866 60.073 58.200 0.011 0.000 1.018 28 S CB -0.242 62.964 63.200 0.010 0.000 0.876 28 S HN 0.690 nan 8.310 nan 0.000 0.448 29 E N 0.489 120.679 120.200 -0.016 0.000 2.313 29 E HA 0.528 4.878 4.350 -0.000 0.000 0.276 29 E C -0.884 175.655 176.600 -0.102 0.000 1.031 29 E CA -0.500 55.873 56.400 -0.045 0.000 0.857 29 E CB 0.763 30.439 29.700 -0.039 0.000 1.040 29 E HN 0.201 nan 8.360 nan 0.000 0.408 30 L N 2.679 123.810 121.223 -0.153 0.000 2.279 30 L HA 0.504 4.844 4.340 -0.000 0.000 0.262 30 L C -2.229 174.453 176.870 -0.314 0.000 1.019 30 L CA -2.291 52.327 54.840 -0.370 0.000 0.823 30 L CB 1.512 43.397 42.059 -0.291 0.000 1.358 30 L HN 0.631 nan 8.230 nan 0.000 0.432 31 P HA 0.246 nan 4.420 nan 0.000 0.276 31 P C -0.846 176.438 177.300 -0.026 0.000 1.243 31 P CA -0.302 62.656 63.100 -0.238 0.000 0.768 31 P CB 0.990 32.530 31.700 -0.268 0.000 0.856 32 A N 4.671 127.486 122.820 -0.009 0.000 2.386 32 A HA 0.257 4.577 4.320 -0.000 0.000 0.246 32 A C 0.698 178.310 177.584 0.047 0.000 1.089 32 A CA -0.582 51.462 52.037 0.011 0.000 0.790 32 A CB -0.258 18.695 19.000 -0.080 0.000 1.042 32 A HN 0.567 nan 8.150 nan 0.000 0.497 33 I N 0.110 120.698 120.570 0.030 0.000 2.872 33 I HA -0.033 4.137 4.170 -0.000 0.000 0.291 33 I C 0.620 176.699 176.117 -0.063 0.000 1.216 33 I CA 0.874 62.183 61.300 0.014 0.000 1.424 33 I CB 0.099 38.098 38.000 -0.002 0.000 1.351 33 I HN 0.703 nan 8.210 nan 0.000 0.592 34 L N 1.429 122.600 121.223 -0.087 0.000 4.126 34 L HA -0.216 4.124 4.340 -0.000 0.000 0.410 34 L C -0.061 176.779 176.870 -0.049 0.000 0.804 34 L CA -0.026 54.712 54.840 -0.170 0.000 2.157 34 L CB -1.679 40.161 42.059 -0.366 0.000 1.460 34 L HN 0.678 nan 8.230 nan 0.000 0.573 35 N N 1.127 119.819 118.700 -0.015 0.000 2.503 35 N HA 0.578 5.318 4.740 -0.000 0.000 0.267 35 N C 0.251 175.781 175.510 0.034 0.000 1.214 35 N CA 0.712 53.769 53.050 0.011 0.000 0.959 35 N CB 0.965 39.453 38.487 0.001 0.000 1.142 35 N HN 0.296 nan 8.380 nan 0.000 0.455 36 A N 1.624 124.468 122.820 0.040 0.000 2.309 36 A HA 0.699 5.019 4.320 -0.000 0.000 0.298 36 A C -0.692 176.921 177.584 0.048 0.000 1.165 36 A CA -0.453 51.611 52.037 0.045 0.000 0.821 36 A CB 0.099 19.124 19.000 0.041 0.000 1.102 36 A HN 0.601 nan 8.150 nan 0.000 0.500 37 L N 1.710 122.963 121.223 0.051 0.000 2.408 37 L HA 0.529 4.869 4.340 -0.000 0.000 0.268 37 L C -0.329 176.565 176.870 0.039 0.000 0.986 37 L CA -0.409 54.466 54.840 0.059 0.000 0.820 37 L CB 2.261 44.371 42.059 0.085 0.000 1.303 37 L HN 0.767 nan 8.230 nan 0.000 0.411 38 E N 2.787 123.006 120.200 0.032 0.000 2.207 38 E HA 0.666 5.016 4.350 -0.000 0.000 0.270 38 E C -1.155 175.451 176.600 0.011 0.000 0.927 38 E CA -0.632 55.780 56.400 0.019 0.000 0.799 38 E CB 3.005 32.714 29.700 0.017 0.000 1.172 38 E HN 0.389 nan 8.360 nan 0.000 0.404 39 I N 2.544 123.117 120.570 0.005 0.000 2.439 39 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 39 I C -0.253 175.863 176.117 -0.002 0.000 1.021 39 I CA -0.915 60.384 61.300 -0.002 0.000 1.091 39 I CB 1.320 39.317 38.000 -0.005 0.000 1.242 39 I HN 0.191 nan 8.210 nan 0.000 0.439 40 K N 5.755 126.152 120.400 -0.004 0.000 2.081 40 K HA 0.106 4.426 4.320 -0.000 0.000 0.230 40 K C 0.403 177.000 176.600 -0.005 0.000 1.199 40 K CA -0.094 56.190 56.287 -0.004 0.000 1.130 40 K CB -0.593 31.904 32.500 -0.004 0.000 1.386 40 K HN 0.663 nan 8.250 nan 0.000 0.280 41 T N -1.052 113.499 114.554 -0.004 0.000 2.802 41 T HA 0.166 4.516 4.350 -0.000 0.000 0.305 41 T C -1.794 172.904 174.700 -0.004 0.000 1.053 41 T CA -1.365 60.733 62.100 -0.004 0.000 1.058 41 T CB 0.427 69.293 68.868 -0.003 0.000 0.988 41 T HN 0.111 nan 8.240 nan 0.000 0.539 42 P HA 0.205 nan 4.420 nan 0.000 0.271 42 P C 0.132 177.429 177.300 -0.004 0.000 1.535 42 P CA 0.359 63.456 63.100 -0.004 0.000 0.820 42 P CB 0.076 31.773 31.700 -0.005 0.000 1.606 43 Q N -1.879 117.918 119.800 -0.004 0.000 2.237 43 Q HA 0.251 4.591 4.340 -0.000 0.000 0.164 43 Q C 1.098 177.096 176.000 -0.003 0.000 0.658 43 Q CA 1.188 56.989 55.803 -0.003 0.000 0.895 43 Q CB -0.153 28.583 28.738 -0.003 0.000 1.175 43 Q HN 0.144 nan 8.270 nan 0.000 0.355 44 G N 0.313 109.112 108.800 -0.002 0.000 2.825 44 G HA2 0.440 4.400 3.960 -0.000 0.000 0.191 44 G HA3 0.440 4.400 3.960 -0.000 0.000 0.191 44 G C -0.815 174.084 174.900 -0.001 0.000 1.708 44 G CA 0.317 45.416 45.100 -0.002 0.000 0.813 44 G HN 0.220 nan 8.290 nan 0.000 0.799 45 K N -1.613 118.788 120.400 0.001 0.000 2.305 45 K HA 0.833 5.153 4.320 -0.000 0.000 0.268 45 K C -2.148 174.454 176.600 0.003 0.000 1.034 45 K CA -0.872 55.417 56.287 0.002 0.000 0.879 45 K CB 1.797 34.299 32.500 0.004 0.000 1.506 45 K HN 0.403 nan 8.250 nan 0.000 0.425 46 L N 0.873 122.099 121.223 0.005 0.000 2.543 46 L HA 0.376 4.716 4.340 -0.000 0.000 0.265 46 L C -1.812 175.065 176.870 0.012 0.000 0.945 46 L CA -0.505 54.340 54.840 0.007 0.000 0.869 46 L CB 2.542 44.603 42.059 0.005 0.000 1.294 46 L HN 0.560 nan 8.230 nan 0.000 0.405 47 V N 5.515 125.438 119.914 0.015 0.000 2.370 47 V HA 0.500 4.620 4.120 -0.000 0.000 0.279 47 V C -0.052 176.057 176.094 0.025 0.000 1.029 47 V CA -0.438 61.874 62.300 0.021 0.000 0.870 47 V CB 1.361 33.198 31.823 0.022 0.000 0.984 47 V HN 0.521 nan 8.190 nan 0.000 0.451 48 L N 4.152 125.393 121.223 0.030 0.000 2.334 48 L HA 0.690 5.030 4.340 -0.000 0.000 0.273 48 L C -0.066 176.830 176.870 0.042 0.000 1.013 48 L CA -0.509 54.351 54.840 0.033 0.000 0.816 48 L CB 1.936 44.015 42.059 0.033 0.000 1.278 48 L HN 0.588 nan 8.230 nan 0.000 0.431 49 E N 1.428 121.654 120.200 0.043 0.000 2.185 49 E HA 0.326 4.676 4.350 -0.000 0.000 0.261 49 E C -1.271 175.351 176.600 0.037 0.000 0.879 49 E CA -0.750 55.679 56.400 0.048 0.000 0.756 49 E CB 2.220 31.960 29.700 0.066 0.000 1.152 49 E HN 0.341 nan 8.360 nan 0.000 0.416 50 V N 4.011 123.942 119.914 0.030 0.000 2.493 50 V HA 0.025 4.145 4.120 -0.000 0.000 0.292 50 V C 0.913 177.015 176.094 0.013 0.000 1.016 50 V CA 1.135 63.445 62.300 0.016 0.000 1.097 50 V CB 0.634 32.461 31.823 0.007 0.000 0.947 50 V HN 0.863 nan 8.190 nan 0.000 0.479 51 A N 4.290 127.120 122.820 0.017 0.000 1.999 51 A HA 0.308 4.628 4.320 -0.000 0.000 0.200 51 A C 0.780 178.388 177.584 0.041 0.000 1.363 51 A CA 0.195 52.244 52.037 0.020 0.000 0.844 51 A CB 0.413 19.425 19.000 0.019 0.000 0.954 51 A HN 0.711 nan 8.150 nan 0.000 0.481 52 Q N -0.805 119.022 119.800 0.045 0.000 2.495 52 Q HA 0.427 4.767 4.340 -0.000 0.000 0.287 52 Q C -1.668 174.380 176.000 0.081 0.000 1.078 52 Q CA -0.653 55.196 55.803 0.076 0.000 0.793 52 Q CB 2.025 30.789 28.738 0.042 0.000 1.459 52 Q HN 0.604 nan 8.270 nan 0.000 0.422 53 H N 1.590 120.656 119.070 -0.006 0.000 2.547 53 H HA 0.315 4.871 4.556 -0.000 0.000 0.342 53 H C 0.217 175.550 175.328 0.008 0.000 1.048 53 H CA -0.140 55.906 56.048 -0.003 0.000 1.204 53 H CB 1.398 31.148 29.762 -0.020 0.000 1.493 53 H HN 0.489 nan 8.280 nan 0.000 0.511 54 L N 1.946 123.214 121.223 0.074 0.000 2.425 54 L HA 0.332 4.672 4.340 -0.000 0.000 0.215 54 L C 1.211 178.120 176.870 0.065 0.000 1.065 54 L CA 0.471 55.347 54.840 0.059 0.000 0.842 54 L CB 0.410 42.492 42.059 0.037 0.000 1.033 54 L HN 0.831 nan 8.230 nan 0.000 0.474 55 G N 0.172 109.019 108.800 0.078 0.000 2.362 55 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.517 55 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.517 55 G C -0.142 174.811 174.900 0.089 0.000 1.256 55 G CA -0.379 44.766 45.100 0.076 0.000 1.027 55 G HN 0.203 nan 8.290 nan 0.000 0.491 56 E N -0.348 119.906 120.200 0.091 0.000 2.551 56 E HA -0.303 4.047 4.350 -0.000 0.000 0.251 56 E C 0.728 177.475 176.600 0.245 0.000 1.210 56 E CA 0.869 57.344 56.400 0.126 0.000 0.725 56 E CB -0.918 28.828 29.700 0.077 0.000 1.290 56 E HN 1.025 nan 8.360 nan 0.000 0.413 57 N N -0.944 117.860 118.700 0.174 0.000 2.708 57 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 57 N C -1.229 174.368 175.510 0.146 0.000 1.097 57 N CA 1.904 55.026 53.050 0.120 0.000 0.710 57 N CB -0.951 37.535 38.487 -0.002 0.000 1.032 57 N HN 0.238 nan 8.380 nan 0.000 0.551 58 T N -0.351 114.284 114.554 0.135 0.000 2.758 58 T HA 0.578 4.928 4.350 -0.000 0.000 0.285 58 T C 0.532 175.214 174.700 -0.031 0.000 0.981 58 T CA -0.700 61.464 62.100 0.107 0.000 0.965 58 T CB 1.575 70.508 68.868 0.109 0.000 0.927 58 T HN 0.171 nan 8.240 nan 0.000 0.448 59 V N 1.819 121.701 119.914 -0.054 0.000 2.732 59 V HA 0.718 4.838 4.120 -0.000 0.000 0.310 59 V C -0.100 175.967 176.094 -0.045 0.000 1.053 59 V CA -1.377 60.814 62.300 -0.181 0.000 0.957 59 V CB 1.618 33.251 31.823 -0.316 0.000 1.018 59 V HN 0.807 nan 8.190 nan 0.000 0.452 60 R N 1.976 122.449 120.500 -0.046 0.000 2.338 60 R HA 0.676 5.016 4.340 -0.000 0.000 0.317 60 R C -0.206 176.098 176.300 0.005 0.000 0.968 60 R CA 0.098 56.195 56.100 -0.005 0.000 0.849 60 R CB 1.509 31.810 30.300 0.002 0.000 1.128 60 R HN 1.140 nan 8.270 nan 0.000 0.448 61 T N 1.638 116.202 114.554 0.017 0.000 2.912 61 T HA 0.542 4.892 4.350 -0.000 0.000 0.288 61 T C 0.074 174.786 174.700 0.020 0.000 1.030 61 T CA -0.845 61.269 62.100 0.023 0.000 1.020 61 T CB 1.209 70.098 68.868 0.034 0.000 1.056 61 T HN 0.413 nan 8.240 nan 0.000 0.480 62 I N 2.089 122.673 120.570 0.024 0.000 2.354 62 I HA 0.580 4.750 4.170 -0.000 0.000 0.292 62 I C 0.767 176.898 176.117 0.023 0.000 0.989 62 I CA -1.163 60.149 61.300 0.021 0.000 1.188 62 I CB 1.390 39.404 38.000 0.023 0.000 1.342 62 I HN 0.917 nan 8.210 nan 0.000 0.457 63 A N 7.279 130.109 122.820 0.017 0.000 2.351 63 A HA 0.521 4.841 4.320 -0.000 0.000 0.257 63 A C 0.472 178.066 177.584 0.017 0.000 1.087 63 A CA -0.261 51.785 52.037 0.016 0.000 0.798 63 A CB 0.412 19.418 19.000 0.010 0.000 1.033 63 A HN 0.743 nan 8.150 nan 0.000 0.488 64 M N 1.471 121.082 119.600 0.018 0.000 2.866 64 M HA 0.289 4.769 4.480 -0.000 0.000 0.319 64 M C -0.466 175.843 176.300 0.015 0.000 1.244 64 M CA 0.291 55.602 55.300 0.019 0.000 0.974 64 M CB -1.280 31.334 32.600 0.022 0.000 1.291 64 M HN 0.927 nan 8.290 nan 0.000 0.513 65 D N -1.434 118.973 120.400 0.011 0.000 2.871 65 D HA 0.360 5.000 4.640 -0.000 0.000 0.330 65 D C -0.488 175.816 176.300 0.005 0.000 1.364 65 D CA -0.335 53.670 54.000 0.008 0.000 0.759 65 D CB 0.518 41.322 40.800 0.008 0.000 1.325 65 D HN 0.201 nan 8.370 nan 0.000 0.452 66 G N -0.763 108.039 108.800 0.004 0.000 2.378 66 G HA2 0.406 4.366 3.960 -0.000 0.000 0.255 66 G HA3 0.406 4.366 3.960 -0.000 0.000 0.255 66 G C 0.909 175.809 174.900 0.001 0.000 1.270 66 G CA 0.407 45.508 45.100 0.002 0.000 0.876 66 G HN 0.471 nan 8.290 nan 0.000 0.521 67 T N -0.355 114.199 114.554 -0.000 0.000 3.169 67 T HA 0.106 4.456 4.350 -0.000 0.000 0.250 67 T C 0.444 175.142 174.700 -0.002 0.000 1.111 67 T CA -0.189 61.911 62.100 -0.001 0.000 1.010 67 T CB -0.124 68.743 68.868 -0.001 0.000 0.984 67 T HN 0.496 nan 8.240 nan 0.000 0.537 68 E N 1.518 121.717 120.200 -0.002 0.000 2.498 68 E HA 0.431 4.781 4.350 -0.000 0.000 0.252 68 E C 1.335 177.933 176.600 -0.003 0.000 1.025 68 E CA 0.876 57.275 56.400 -0.003 0.000 0.938 68 E CB -0.312 29.387 29.700 -0.002 0.000 0.947 68 E HN 0.450 nan 8.360 nan 0.000 0.478 69 G N 2.674 111.471 108.800 -0.004 0.000 2.211 69 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.201 69 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.201 69 G C 0.084 174.980 174.900 -0.006 0.000 0.997 69 G CA -0.636 44.461 45.100 -0.005 0.000 0.652 69 G HN 0.409 nan 8.290 nan 0.000 0.500 70 L N 1.483 122.703 121.223 -0.006 0.000 2.397 70 L HA 0.562 4.902 4.340 -0.000 0.000 0.271 70 L C 0.495 177.359 176.870 -0.009 0.000 1.148 70 L CA -0.563 54.272 54.840 -0.008 0.000 0.825 70 L CB 1.430 43.485 42.059 -0.007 0.000 1.117 70 L HN -0.001 nan 8.230 nan 0.000 0.456 71 V N 3.586 123.493 119.914 -0.012 0.000 2.628 71 V HA 0.402 4.522 4.120 -0.000 0.000 0.306 71 V C 0.229 176.313 176.094 -0.016 0.000 1.045 71 V CA -0.979 61.313 62.300 -0.013 0.000 0.905 71 V CB 1.819 33.634 31.823 -0.013 0.000 0.997 71 V HN 0.678 nan 8.190 nan 0.000 0.436 72 R N 1.972 122.463 120.500 -0.016 0.000 2.623 72 R HA 0.377 4.717 4.340 -0.000 0.000 0.271 72 R C 1.200 177.487 176.300 -0.022 0.000 1.043 72 R CA 1.060 57.148 56.100 -0.019 0.000 1.083 72 R CB 0.180 30.470 30.300 -0.018 0.000 0.974 72 R HN 1.247 nan 8.270 nan 0.000 0.436 73 G N 1.654 110.438 108.800 -0.027 0.000 2.160 73 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.244 73 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.244 73 G C -0.089 174.790 174.900 -0.035 0.000 1.022 73 G CA 0.146 45.228 45.100 -0.031 0.000 0.741 73 G HN 0.629 nan 8.290 nan 0.000 0.508 74 E N -0.203 119.974 120.200 -0.037 0.000 2.242 74 E HA 0.518 4.867 4.350 -0.000 0.000 0.275 74 E C 0.594 177.162 176.600 -0.054 0.000 1.002 74 E CA -0.901 55.476 56.400 -0.037 0.000 0.841 74 E CB 0.653 30.336 29.700 -0.028 0.000 1.109 74 E HN 0.237 nan 8.360 nan 0.000 0.394 75 K N 1.747 122.117 120.400 -0.051 0.000 2.448 75 K HA 0.129 4.449 4.320 -0.000 0.000 0.278 75 K C -1.309 175.250 176.600 -0.068 0.000 1.009 75 K CA -0.083 56.163 56.287 -0.067 0.000 0.995 75 K CB 0.542 33.013 32.500 -0.049 0.000 0.917 75 K HN 0.171 nan 8.250 nan 0.000 0.481 76 V N 6.264 126.116 119.914 -0.104 0.000 2.443 76 V HA 0.297 4.417 4.120 -0.000 0.000 0.293 76 V C -0.809 175.254 176.094 -0.052 0.000 1.021 76 V CA -0.951 61.301 62.300 -0.080 0.000 0.848 76 V CB 1.341 33.100 31.823 -0.107 0.000 0.998 76 V HN 0.650 nan 8.190 nan 0.000 0.424 77 L N 3.854 125.080 121.223 0.005 0.000 2.309 77 L HA 0.631 4.971 4.340 -0.000 0.000 0.282 77 L C -0.154 176.766 176.870 0.083 0.000 1.036 77 L CA 0.115 54.978 54.840 0.040 0.000 0.806 77 L CB 1.606 43.679 42.059 0.023 0.000 1.220 77 L HN 0.719 nan 8.230 nan 0.000 0.429 78 D N 0.992 121.463 120.400 0.118 0.000 2.255 78 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 78 D C 0.921 177.256 176.300 0.059 0.000 1.078 78 D CA 0.293 54.357 54.000 0.107 0.000 0.896 78 D CB 1.579 42.452 40.800 0.121 0.000 1.194 78 D HN 0.712 nan 8.370 nan 0.000 0.429 79 T N 0.362 114.942 114.554 0.043 0.000 2.814 79 T HA 0.319 4.669 4.350 -0.000 0.000 0.254 79 T C 1.376 176.088 174.700 0.020 0.000 1.037 79 T CA 0.956 63.073 62.100 0.028 0.000 1.143 79 T CB 0.074 68.956 68.868 0.025 0.000 0.866 79 T HN 0.592 nan 8.240 nan 0.000 0.431 80 G N 0.256 109.065 108.800 0.016 0.000 4.172 80 G HA2 0.342 4.302 3.960 -0.000 0.000 0.204 80 G HA3 0.342 4.302 3.960 -0.000 0.000 0.204 80 G C 0.315 175.216 174.900 0.002 0.000 1.256 80 G CA 0.061 45.165 45.100 0.007 0.000 0.886 80 G HN 0.973 nan 8.290 nan 0.000 0.344 81 G N 0.023 108.827 108.800 0.007 0.000 3.086 81 G HA2 0.725 4.685 3.960 -0.000 0.000 0.282 81 G HA3 0.725 4.685 3.960 -0.000 0.000 0.282 81 G C -3.113 171.798 174.900 0.019 0.000 1.343 81 G CA -0.924 44.181 45.100 0.007 0.000 0.895 81 G HN 0.244 nan 8.290 nan 0.000 0.557 82 P HA 0.144 nan 4.420 nan 0.000 0.270 82 P C 0.177 177.512 177.300 0.060 0.000 1.221 82 P CA -0.089 63.050 63.100 0.066 0.000 0.788 82 P CB 0.433 32.200 31.700 0.112 0.000 0.904 83 I N 0.267 120.881 120.570 0.075 0.000 2.826 83 I HA -0.045 4.125 4.170 -0.000 0.000 0.295 83 I C 1.054 177.186 176.117 0.024 0.000 1.213 83 I CA 1.098 62.425 61.300 0.045 0.000 1.436 83 I CB -0.107 37.919 38.000 0.045 0.000 1.348 83 I HN 0.241 nan 8.210 nan 0.000 0.570 84 S N 5.102 120.805 115.700 0.005 0.000 2.532 84 S HA 0.733 5.203 4.470 -0.000 0.000 0.301 84 S C -0.611 173.972 174.600 -0.028 0.000 1.083 84 S CA -0.711 57.482 58.200 -0.012 0.000 1.025 84 S CB 1.624 64.816 63.200 -0.013 0.000 1.056 84 S HN 0.428 nan 8.310 nan 0.000 0.494 85 V N 1.885 121.771 119.914 -0.047 0.000 2.680 85 V HA 0.726 4.846 4.120 -0.000 0.000 0.309 85 V C -2.970 173.072 176.094 -0.087 0.000 1.052 85 V CA -2.945 59.319 62.300 -0.060 0.000 0.908 85 V CB 1.124 32.907 31.823 -0.066 0.000 1.001 85 V HN 0.630 nan 8.190 nan 0.000 0.431 86 P HA 0.306 nan 4.420 nan 0.000 0.271 86 P C -0.258 176.945 177.300 -0.161 0.000 1.233 86 P CA 0.155 63.190 63.100 -0.108 0.000 0.764 86 P CB 0.911 32.569 31.700 -0.070 0.000 0.825 87 V N 0.997 120.753 119.914 -0.263 0.000 2.919 87 V HA 1.007 5.127 4.120 -0.000 0.000 0.316 87 V C 0.344 176.131 176.094 -0.513 0.000 1.077 87 V CA -0.034 62.008 62.300 -0.430 0.000 0.977 87 V CB 1.130 32.607 31.823 -0.576 0.000 1.039 87 V HN 0.916 nan 8.190 nan 0.000 0.441 88 G N 2.525 110.972 108.800 -0.588 0.000 2.466 88 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.316 88 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.316 88 G C 0.136 175.106 174.900 0.116 0.000 1.270 88 G CA 0.129 45.053 45.100 -0.294 0.000 0.982 88 G HN 0.911 nan 8.290 nan 0.000 0.506 89 R N 0.137 120.744 120.500 0.178 0.000 2.081 89 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 89 R C 1.954 178.270 176.300 0.026 0.000 1.131 89 R CA 1.579 57.740 56.100 0.102 0.000 0.960 89 R CB -0.217 30.145 30.300 0.104 0.000 0.856 89 R HN 0.564 nan 8.270 nan 0.000 0.436 90 E N 0.233 120.445 120.200 0.020 0.000 2.533 90 E HA -0.098 4.252 4.350 -0.000 0.000 0.201 90 E C 1.515 178.119 176.600 0.006 0.000 1.097 90 E CA 1.210 57.615 56.400 0.008 0.000 0.887 90 E CB 0.117 29.817 29.700 -0.001 0.000 0.855 90 E HN 0.497 nan 8.360 nan 0.000 0.540 91 T N -2.374 112.190 114.554 0.016 0.000 3.031 91 T HA 0.072 4.422 4.350 -0.000 0.000 0.254 91 T C 1.157 175.876 174.700 0.032 0.000 1.060 91 T CA -0.199 61.917 62.100 0.027 0.000 1.135 91 T CB -0.113 68.779 68.868 0.041 0.000 0.896 91 T HN -0.036 nan 8.240 nan 0.000 0.472 92 L N 2.366 123.586 121.223 -0.004 0.000 2.534 92 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 92 L C 1.628 178.501 176.870 0.005 0.000 1.178 92 L CA 0.988 55.801 54.840 -0.045 0.000 0.907 92 L CB 0.151 42.086 42.059 -0.206 0.000 1.164 92 L HN 0.616 nan 8.230 nan 0.000 0.482 93 G N 2.006 110.832 108.800 0.043 0.000 2.253 93 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.209 93 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.209 93 G C 0.271 175.241 174.900 0.117 0.000 0.997 93 G CA -0.676 44.467 45.100 0.072 0.000 0.640 93 G HN 0.434 nan 8.290 nan 0.000 0.496 94 R N 0.159 120.718 120.500 0.098 0.000 2.720 94 R HA 0.759 5.099 4.340 -0.000 0.000 0.272 94 R C -0.129 176.236 176.300 0.109 0.000 0.991 94 R CA -0.772 55.385 56.100 0.095 0.000 1.010 94 R CB 1.199 31.533 30.300 0.057 0.000 1.141 94 R HN 0.311 nan 8.270 nan 0.000 0.494 95 I N 2.371 122.991 120.570 0.083 0.000 2.392 95 I HA 0.461 4.630 4.170 -0.000 0.000 0.295 95 I C 0.233 176.398 176.117 0.080 0.000 0.985 95 I CA -0.545 60.820 61.300 0.110 0.000 1.221 95 I CB 1.140 39.175 38.000 0.058 0.000 1.366 95 I HN 0.289 nan 8.210 nan 0.000 0.467 96 I N 4.112 124.747 120.570 0.108 0.000 2.892 96 I HA 0.414 4.584 4.170 -0.000 0.000 0.306 96 I C -0.056 176.107 176.117 0.077 0.000 1.078 96 I CA -0.962 60.378 61.300 0.067 0.000 1.032 96 I CB 1.614 39.640 38.000 0.043 0.000 1.229 96 I HN 0.515 nan 8.210 nan 0.000 0.435 97 N N 1.078 119.806 118.700 0.046 0.000 2.364 97 N HA 0.116 4.856 4.740 -0.000 0.000 0.264 97 N C 0.861 176.390 175.510 0.031 0.000 1.263 97 N CA -0.245 52.831 53.050 0.044 0.000 0.959 97 N CB 1.354 39.857 38.487 0.026 0.000 1.204 97 N HN 0.510 nan 8.380 nan 0.000 0.550 98 V N 0.936 120.867 119.914 0.029 0.000 2.515 98 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 98 V C 1.722 177.819 176.094 0.004 0.000 1.058 98 V CA 1.650 63.958 62.300 0.013 0.000 1.064 98 V CB -0.400 31.435 31.823 0.019 0.000 0.675 98 V HN 0.619 nan 8.190 nan 0.000 0.461 99 I N -2.667 117.908 120.570 0.009 0.000 3.860 99 I HA 0.552 4.722 4.170 -0.000 0.000 0.319 99 I C 1.552 177.668 176.117 -0.000 0.000 1.279 99 I CA 0.792 62.095 61.300 0.006 0.000 1.220 99 I CB 0.270 38.277 38.000 0.011 0.000 1.027 99 I HN 0.315 nan 8.210 nan 0.000 0.428 100 G N 1.039 109.839 108.800 -0.001 0.000 2.229 100 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.189 100 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.189 100 G C -0.113 174.785 174.900 -0.003 0.000 1.000 100 G CA -0.465 44.630 45.100 -0.007 0.000 0.663 100 G HN 0.469 nan 8.290 nan 0.000 0.493 101 E N 2.404 122.605 120.200 0.002 0.000 2.249 101 E HA 0.396 4.746 4.350 -0.000 0.000 0.280 101 E C -2.326 174.277 176.600 0.006 0.000 1.016 101 E CA -1.850 54.551 56.400 0.002 0.000 0.830 101 E CB 1.709 31.410 29.700 0.001 0.000 1.081 101 E HN 0.163 nan 8.360 nan 0.000 0.395 102 P HA -0.005 nan 4.420 nan 0.000 0.268 102 P C 0.122 177.417 177.300 -0.007 0.000 1.205 102 P CA 0.493 63.594 63.100 0.002 0.000 0.771 102 P CB 0.346 32.046 31.700 -0.000 0.000 0.858 103 I N -0.653 119.907 120.570 -0.015 0.000 3.707 103 I HA 0.240 4.410 4.170 -0.000 0.000 0.330 103 I C 0.468 176.530 176.117 -0.091 0.000 1.572 103 I CA -0.236 61.039 61.300 -0.041 0.000 1.104 103 I CB -0.016 37.966 38.000 -0.030 0.000 1.240 103 I HN 0.126 nan 8.210 nan 0.000 0.475 104 D N 0.704 121.054 120.400 -0.084 0.000 2.433 104 D HA -0.026 4.614 4.640 -0.000 0.000 0.211 104 D C 0.449 176.710 176.300 -0.064 0.000 1.114 104 D CA -0.074 53.854 54.000 -0.120 0.000 0.837 104 D CB 0.024 40.754 40.800 -0.117 0.000 0.984 104 D HN 0.424 nan 8.370 nan 0.000 0.505 105 E N 0.300 120.475 120.200 -0.042 0.000 2.805 105 E HA -0.260 4.090 4.350 -0.000 0.000 0.266 105 E C 0.601 177.194 176.600 -0.012 0.000 1.092 105 E CA 0.356 56.741 56.400 -0.025 0.000 0.781 105 E CB -1.216 28.467 29.700 -0.029 0.000 1.379 105 E HN 0.414 nan 8.360 nan 0.000 0.433 106 R N -0.074 120.423 120.500 -0.005 0.000 2.334 106 R HA 0.205 4.545 4.340 -0.000 0.000 0.220 106 R C 0.917 177.221 176.300 0.007 0.000 0.917 106 R CA 0.593 56.697 56.100 0.008 0.000 1.073 106 R CB 0.799 31.112 30.300 0.022 0.000 1.056 106 R HN 0.330 nan 8.270 nan 0.000 0.506 107 G N 0.674 109.476 108.800 0.003 0.000 2.343 107 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.465 107 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.465 107 G C -2.882 172.019 174.900 0.001 0.000 1.282 107 G CA -1.312 43.790 45.100 0.002 0.000 0.996 107 G HN -0.069 nan 8.290 nan 0.000 0.521 108 P HA 0.616 nan 4.420 nan 0.000 0.275 108 P C -0.231 177.069 177.300 -0.001 0.000 1.266 108 P CA -0.530 62.569 63.100 -0.001 0.000 0.793 108 P CB 0.548 32.246 31.700 -0.003 0.000 1.074 109 I N 0.710 121.278 120.570 -0.005 0.000 2.330 109 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 109 I C 0.395 176.503 176.117 -0.015 0.000 1.025 109 I CA -0.429 60.867 61.300 -0.007 0.000 1.197 109 I CB 0.735 38.729 38.000 -0.009 0.000 1.358 109 I HN 0.070 nan 8.210 nan 0.000 0.467 110 K N 5.356 125.749 120.400 -0.012 0.000 2.231 110 K HA 0.264 4.584 4.320 -0.000 0.000 0.255 110 K C -0.162 176.424 176.600 -0.024 0.000 1.108 110 K CA -0.261 56.017 56.287 -0.015 0.000 0.997 110 K CB 0.618 33.114 32.500 -0.007 0.000 1.549 110 K HN 0.683 nan 8.250 nan 0.000 0.419 111 S N 0.778 116.454 115.700 -0.041 0.000 2.638 111 S HA 0.350 4.820 4.470 -0.000 0.000 0.298 111 S C 0.620 175.179 174.600 -0.068 0.000 1.111 111 S CA -0.969 57.191 58.200 -0.067 0.000 1.027 111 S CB 2.083 65.220 63.200 -0.104 0.000 1.064 111 S HN 0.398 nan 8.310 nan 0.000 0.525 112 K N 0.036 120.388 120.400 -0.080 0.000 2.361 112 K HA 0.346 4.666 4.320 -0.000 0.000 0.196 112 K C -0.254 176.302 176.600 -0.073 0.000 1.039 112 K CA 0.575 56.828 56.287 -0.057 0.000 1.001 112 K CB -0.162 32.321 32.500 -0.029 0.000 0.795 112 K HN 0.530 nan 8.250 nan 0.000 0.495 113 L N -0.136 121.006 121.223 -0.135 0.000 2.376 113 L HA 0.477 4.817 4.340 -0.000 0.000 0.258 113 L C -0.793 175.981 176.870 -0.160 0.000 1.013 113 L CA -1.031 53.729 54.840 -0.134 0.000 0.822 113 L CB 2.387 44.358 42.059 -0.146 0.000 1.388 113 L HN -0.199 nan 8.230 nan 0.000 0.413 114 R N 1.586 122.021 120.500 -0.108 0.000 2.468 114 R HA 0.369 4.709 4.340 -0.000 0.000 0.302 114 R C -1.176 175.082 176.300 -0.070 0.000 1.041 114 R CA -0.722 55.319 56.100 -0.098 0.000 0.899 114 R CB 1.884 32.145 30.300 -0.065 0.000 1.167 114 R HN 0.439 nan 8.270 nan 0.000 0.483 115 K N 4.122 124.473 120.400 -0.081 0.000 2.172 115 K HA 0.303 4.623 4.320 -0.000 0.000 0.276 115 K C -2.249 174.333 176.600 -0.030 0.000 1.013 115 K CA -1.838 54.425 56.287 -0.041 0.000 0.913 115 K CB 1.400 33.882 32.500 -0.029 0.000 1.055 115 K HN 0.269 nan 8.250 nan 0.000 0.461 116 P HA -0.008 nan 4.420 nan 0.000 0.268 116 P C 0.894 178.197 177.300 0.004 0.000 1.205 116 P CA 0.012 63.119 63.100 0.013 0.000 0.771 116 P CB 0.348 32.070 31.700 0.036 0.000 0.858 117 I N 0.293 120.856 120.570 -0.011 0.000 2.264 117 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 117 I C 0.946 176.963 176.117 -0.167 0.000 1.111 117 I CA 1.141 62.380 61.300 -0.102 0.000 1.382 117 I CB -1.035 36.874 38.000 -0.152 0.000 1.060 117 I HN 0.289 nan 8.210 nan 0.000 0.418 118 H N 2.374 121.437 119.070 -0.012 0.000 2.646 118 H HA 0.713 5.269 4.556 -0.000 0.000 0.325 118 H C -0.382 174.940 175.328 -0.011 0.000 1.075 118 H CA 0.082 56.124 56.048 -0.009 0.000 1.421 118 H CB 1.286 31.048 29.762 -0.000 0.000 1.461 118 H HN 0.469 nan 8.280 nan 0.000 0.525 119 A N 3.943 126.813 122.820 0.084 0.000 2.547 119 A HA 0.233 4.553 4.320 -0.000 0.000 0.297 119 A C -0.609 176.998 177.584 0.037 0.000 1.056 119 A CA -1.029 51.035 52.037 0.045 0.000 0.688 119 A CB 1.358 20.365 19.000 0.012 0.000 1.282 119 A HN 0.630 nan 8.150 nan 0.000 0.400 120 D N 2.455 122.874 120.400 0.031 0.000 2.370 120 D HA 0.283 4.923 4.640 -0.000 0.000 0.235 120 D C -2.016 174.294 176.300 0.017 0.000 1.228 120 D CA 0.166 54.181 54.000 0.025 0.000 0.884 120 D CB 0.225 41.037 40.800 0.020 0.000 1.201 120 D HN 0.391 nan 8.370 nan 0.000 0.456 121 P HA 0.317 nan 4.420 nan 0.000 0.280 121 P C -2.691 174.617 177.300 0.014 0.000 1.272 121 P CA -1.561 61.548 63.100 0.015 0.000 0.819 121 P CB -0.404 31.311 31.700 0.025 0.000 1.122 122 P HA 0.040 nan 4.420 nan 0.000 0.267 122 P C 0.538 177.852 177.300 0.022 0.000 1.209 122 P CA 0.348 63.451 63.100 0.005 0.000 0.763 122 P CB 0.059 31.754 31.700 -0.007 0.000 0.816 123 S N 3.038 118.755 115.700 0.028 0.000 2.617 123 S HA 0.049 4.519 4.470 -0.000 0.000 0.255 123 S C 0.989 175.643 174.600 0.089 0.000 1.318 123 S CA -0.256 57.984 58.200 0.065 0.000 0.978 123 S CB -0.090 63.147 63.200 0.062 0.000 0.961 123 S HN 0.374 nan 8.310 nan 0.000 0.582 124 F N 0.994 120.941 119.950 -0.004 0.000 2.234 124 F HA 0.159 4.686 4.527 -0.000 0.000 0.299 124 F C 2.345 178.142 175.800 -0.005 0.000 1.087 124 F CA 1.156 59.153 58.000 -0.005 0.000 1.340 124 F CB -0.887 38.111 39.000 -0.004 0.000 1.031 124 F HN 0.677 nan 8.300 nan 0.000 0.500 125 A N -0.388 122.426 122.820 -0.010 0.000 2.119 125 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 125 A C 1.913 179.423 177.584 -0.123 0.000 1.153 125 A CA 1.308 53.291 52.037 -0.089 0.000 0.692 125 A CB -0.633 18.376 19.000 0.016 0.000 0.799 125 A HN 0.516 nan 8.150 nan 0.000 0.458 126 E N -0.025 120.118 120.200 -0.095 0.000 2.489 126 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 126 E C 0.039 176.575 176.600 -0.105 0.000 1.057 126 E CA -0.208 56.145 56.400 -0.078 0.000 0.866 126 E CB 0.156 29.833 29.700 -0.039 0.000 0.916 126 E HN 0.508 nan 8.360 nan 0.000 0.500 127 Q N 0.428 120.123 119.800 -0.175 0.000 2.364 127 Q HA 0.174 4.514 4.340 -0.000 0.000 0.267 127 Q C -0.406 175.505 176.000 -0.148 0.000 0.999 127 Q CA 0.331 56.032 55.803 -0.171 0.000 0.886 127 Q CB 1.698 30.278 28.738 -0.264 0.000 1.243 127 Q HN -0.061 nan 8.270 nan 0.000 0.415 128 S N 1.027 116.668 115.700 -0.098 0.000 2.720 128 S HA 0.478 4.948 4.470 -0.000 0.000 0.278 128 S C -0.823 173.746 174.600 -0.052 0.000 1.172 128 S CA -0.502 57.652 58.200 -0.075 0.000 1.019 128 S CB 0.731 63.896 63.200 -0.057 0.000 1.049 128 S HN 0.624 nan 8.310 nan 0.000 0.483 129 T N 1.002 115.527 114.554 -0.048 0.000 2.940 129 T HA 0.946 5.296 4.350 -0.000 0.000 0.288 129 T C -0.496 174.193 174.700 -0.019 0.000 1.045 129 T CA -0.690 61.393 62.100 -0.028 0.000 1.018 129 T CB 1.546 70.401 68.868 -0.022 0.000 1.151 129 T HN 1.198 nan 8.240 nan 0.000 0.529 130 S N -0.946 114.750 115.700 -0.007 0.000 2.580 130 S HA 0.614 5.083 4.470 -0.000 0.000 0.281 130 S C -0.920 173.684 174.600 0.007 0.000 1.129 130 S CA -0.899 57.300 58.200 -0.002 0.000 0.862 130 S CB 0.722 63.920 63.200 -0.003 0.000 1.090 130 S HN 1.507 nan 8.310 nan 0.000 0.451 131 A N 1.228 124.053 122.820 0.009 0.000 2.880 131 A HA 0.663 4.983 4.320 -0.000 0.000 0.328 131 A C -0.019 177.576 177.584 0.018 0.000 1.440 131 A CA -0.324 51.722 52.037 0.016 0.000 1.068 131 A CB -0.355 18.653 19.000 0.013 0.000 1.163 131 A HN 0.742 nan 8.150 nan 0.000 0.510 132 E N 2.335 122.550 120.200 0.025 0.000 2.165 132 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 132 E C -1.038 175.589 176.600 0.045 0.000 0.889 132 E CA -0.763 55.655 56.400 0.029 0.000 0.756 132 E CB 0.870 30.585 29.700 0.025 0.000 1.131 132 E HN 0.509 nan 8.360 nan 0.000 0.411 133 I N 4.459 125.054 120.570 0.043 0.000 2.668 133 I HA -0.079 4.091 4.170 -0.000 0.000 0.285 133 I C 0.073 176.232 176.117 0.071 0.000 1.168 133 I CA 0.310 61.643 61.300 0.055 0.000 1.424 133 I CB 0.410 38.434 38.000 0.039 0.000 1.377 133 I HN 0.507 nan 8.210 nan 0.000 0.560 134 L N 7.927 129.212 121.223 0.104 0.000 2.358 134 L HA 0.269 4.609 4.340 -0.000 0.000 0.274 134 L C 0.484 177.412 176.870 0.097 0.000 1.136 134 L CA -0.056 54.855 54.840 0.119 0.000 0.970 134 L CB -0.122 42.038 42.059 0.169 0.000 1.314 134 L HN 0.554 nan 8.230 nan 0.000 0.427 135 E N 1.641 121.878 120.200 0.063 0.000 2.694 135 E HA -0.122 4.228 4.350 -0.000 0.000 0.250 135 E C 0.675 177.291 176.600 0.027 0.000 0.963 135 E CA 0.799 57.220 56.400 0.035 0.000 0.949 135 E CB 0.733 30.452 29.700 0.032 0.000 0.911 135 E HN 0.799 nan 8.360 nan 0.000 0.500 136 T N 1.241 115.786 114.554 -0.015 0.000 3.040 136 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 136 T C 1.462 176.126 174.700 -0.060 0.000 1.064 136 T CA 0.537 62.620 62.100 -0.029 0.000 1.110 136 T CB 0.342 69.147 68.868 -0.106 0.000 0.921 136 T HN 0.729 nan 8.240 nan 0.000 0.480 137 G N 1.750 110.519 108.800 -0.052 0.000 2.299 137 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.237 137 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.237 137 G C 0.079 174.950 174.900 -0.048 0.000 1.027 137 G CA -0.066 45.001 45.100 -0.055 0.000 0.619 137 G HN 0.654 nan 8.290 nan 0.000 0.513 138 I N 2.209 122.742 120.570 -0.063 0.000 2.505 138 I HA 0.175 4.345 4.170 -0.000 0.000 0.287 138 I C 1.747 177.871 176.117 0.012 0.000 1.104 138 I CA -0.131 61.176 61.300 0.013 0.000 1.387 138 I CB 1.081 39.081 38.000 0.001 0.000 1.404 138 I HN 0.110 nan 8.210 nan 0.000 0.528 139 K N 4.114 124.531 120.400 0.028 0.000 2.020 139 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 139 K C 1.852 178.413 176.600 -0.066 0.000 1.050 139 K CA 1.464 57.737 56.287 -0.022 0.000 0.929 139 K CB -0.172 32.322 32.500 -0.010 0.000 0.714 139 K HN 0.592 nan 8.250 nan 0.000 0.443 140 V N 0.935 120.841 119.914 -0.013 0.000 2.594 140 V HA -0.180 3.940 4.120 -0.000 0.000 0.253 140 V C 1.891 177.976 176.094 -0.016 0.000 1.069 140 V CA 1.458 63.742 62.300 -0.026 0.000 1.082 140 V CB 0.069 31.927 31.823 0.058 0.000 0.680 140 V HN 0.125 nan 8.190 nan 0.000 0.469 141 V N -0.168 119.748 119.914 0.004 0.000 2.331 141 V HA -0.088 4.032 4.120 -0.000 0.000 0.242 141 V C 2.309 178.332 176.094 -0.119 0.000 1.034 141 V CA 2.020 64.270 62.300 -0.083 0.000 1.027 141 V CB -0.620 31.075 31.823 -0.214 0.000 0.667 141 V HN 0.501 nan 8.190 nan 0.000 0.457 142 D N 0.051 120.395 120.400 -0.093 0.000 2.149 142 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 142 D C 1.876 178.219 176.300 0.071 0.000 0.990 142 D CA 1.222 55.206 54.000 -0.028 0.000 0.839 142 D CB -0.106 40.683 40.800 -0.019 0.000 0.948 142 D HN 0.339 nan 8.370 nan 0.000 0.460 143 L N -0.409 120.803 121.223 -0.018 0.000 2.068 143 L HA 0.035 4.375 4.340 -0.000 0.000 0.204 143 L C 1.862 178.776 176.870 0.073 0.000 1.076 143 L CA 1.373 56.207 54.840 -0.010 0.000 0.753 143 L CB -0.019 41.845 42.059 -0.325 0.000 0.910 143 L HN -0.036 nan 8.230 nan 0.000 0.439 144 L N -0.967 120.226 121.223 -0.051 0.000 2.609 144 L HA 0.421 4.760 4.340 -0.000 0.000 0.230 144 L C 0.434 177.276 176.870 -0.048 0.000 1.087 144 L CA 0.367 55.163 54.840 -0.074 0.000 0.874 144 L CB 0.137 42.132 42.059 -0.107 0.000 1.114 144 L HN 0.231 nan 8.230 nan 0.000 0.488 145 A N 0.322 123.128 122.820 -0.025 0.000 3.200 145 A HA 0.485 4.805 4.320 -0.000 0.000 0.274 145 A C -2.785 174.804 177.584 0.008 0.000 1.220 145 A CA -0.684 51.361 52.037 0.013 0.000 0.904 145 A CB -0.119 18.916 19.000 0.059 0.000 1.415 145 A HN -0.178 nan 8.150 nan 0.000 0.630 146 P HA 0.353 nan 4.420 nan 0.000 0.275 146 P C -0.502 176.872 177.300 0.123 0.000 1.227 146 P CA 0.190 63.271 63.100 -0.032 0.000 0.781 146 P CB 0.324 32.012 31.700 -0.020 0.000 0.906 147 Y N 0.845 121.189 120.300 0.073 0.000 2.281 147 Y HA 0.494 5.044 4.550 -0.000 0.000 0.337 147 Y C 1.079 177.008 175.900 0.049 0.000 1.304 147 Y CA -1.412 56.729 58.100 0.069 0.000 1.465 147 Y CB -0.162 38.351 38.460 0.089 0.000 1.350 147 Y HN 0.351 nan 8.280 nan 0.000 0.575 148 A N 1.857 124.806 122.820 0.214 0.000 2.350 148 A HA 0.632 4.952 4.320 -0.000 0.000 0.324 148 A C -0.260 177.378 177.584 0.089 0.000 1.118 148 A CA -1.062 51.044 52.037 0.116 0.000 0.783 148 A CB 0.813 19.857 19.000 0.074 0.000 1.236 148 A HN 0.761 nan 8.150 nan 0.000 0.457 149 R N 0.742 121.289 120.500 0.078 0.000 2.442 149 R HA 0.381 4.721 4.340 -0.000 0.000 0.291 149 R C 1.096 177.421 176.300 0.043 0.000 1.069 149 R CA 1.002 57.145 56.100 0.072 0.000 1.022 149 R CB 0.511 30.856 30.300 0.076 0.000 0.976 149 R HN 1.588 nan 8.270 nan 0.000 0.443 150 G N 1.877 110.695 108.800 0.031 0.000 2.225 150 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 150 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 150 G C 0.329 175.223 174.900 -0.009 0.000 1.024 150 G CA 0.328 45.431 45.100 0.006 0.000 0.784 150 G HN 0.861 nan 8.290 nan 0.000 0.507 151 G N -1.134 107.659 108.800 -0.013 0.000 2.537 151 G HA2 0.653 4.613 3.960 -0.000 0.000 0.323 151 G HA3 0.653 4.613 3.960 -0.000 0.000 0.323 151 G C -0.393 174.473 174.900 -0.057 0.000 1.207 151 G CA -0.965 44.124 45.100 -0.017 0.000 0.976 151 G HN 0.314 nan 8.290 nan 0.000 0.487 152 K N 0.428 120.798 120.400 -0.051 0.000 2.281 152 K HA 0.423 4.743 4.320 -0.000 0.000 0.272 152 K C -0.860 175.677 176.600 -0.105 0.000 1.048 152 K CA -0.150 56.090 56.287 -0.079 0.000 0.898 152 K CB 1.683 34.159 32.500 -0.039 0.000 1.128 152 K HN 0.255 nan 8.250 nan 0.000 0.460 153 I N 1.826 122.279 120.570 -0.196 0.000 2.362 153 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 153 I C 0.303 176.274 176.117 -0.243 0.000 0.994 153 I CA -0.565 60.548 61.300 -0.312 0.000 1.158 153 I CB 2.042 39.675 38.000 -0.613 0.000 1.315 153 I HN 0.603 nan 8.210 nan 0.000 0.451 154 G N 6.907 115.613 108.800 -0.157 0.000 2.566 154 G HA2 0.754 4.714 3.960 -0.000 0.000 0.311 154 G HA3 0.754 4.714 3.960 -0.000 0.000 0.311 154 G C -1.087 173.742 174.900 -0.118 0.000 1.322 154 G CA -0.564 44.429 45.100 -0.178 0.000 0.969 154 G HN 0.457 nan 8.290 nan 0.000 0.490 155 L N 1.556 122.636 121.223 -0.238 0.000 2.316 155 L HA 0.512 4.852 4.340 -0.000 0.000 0.280 155 L C -0.965 175.764 176.870 -0.235 0.000 1.006 155 L CA -0.696 54.051 54.840 -0.155 0.000 0.836 155 L CB 1.255 43.201 42.059 -0.189 0.000 1.221 155 L HN 0.289 nan 8.230 nan 0.000 0.418 156 F N 1.263 121.146 119.950 -0.112 0.000 2.394 156 F HA 0.796 5.323 4.527 -0.000 0.000 0.340 156 F C 0.966 176.709 175.800 -0.096 0.000 1.105 156 F CA -0.434 57.500 58.000 -0.111 0.000 1.124 156 F CB 1.964 40.915 39.000 -0.082 0.000 1.145 156 F HN 0.486 nan 8.300 nan 0.000 0.505 157 G N 0.680 109.489 108.800 0.015 0.000 2.732 157 G HA2 0.498 4.458 3.960 -0.000 0.000 0.296 157 G HA3 0.498 4.458 3.960 -0.000 0.000 0.296 157 G C -0.459 174.330 174.900 -0.185 0.000 1.448 157 G CA -0.403 44.672 45.100 -0.042 0.000 0.911 157 G HN 0.927 nan 8.290 nan 0.000 0.528 158 G N -0.399 108.300 108.800 -0.168 0.000 2.527 158 G HA2 0.590 4.550 3.960 -0.000 0.000 0.279 158 G HA3 0.590 4.550 3.960 -0.000 0.000 0.279 158 G C 0.602 175.365 174.900 -0.228 0.000 1.374 158 G CA 0.449 45.392 45.100 -0.261 0.000 1.053 158 G HN 1.600 nan 8.290 nan 0.000 0.539 159 A N -1.468 121.263 122.820 -0.148 0.000 2.302 159 A HA 0.601 4.921 4.320 -0.000 0.000 0.295 159 A C 1.105 178.724 177.584 0.058 0.000 1.235 159 A CA 0.698 52.766 52.037 0.052 0.000 0.876 159 A CB -0.150 18.960 19.000 0.184 0.000 1.133 159 A HN 2.483 nan 8.150 nan 0.000 0.533 160 G N 1.142 109.988 108.800 0.076 0.000 2.130 160 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 160 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 160 G C 0.650 175.587 174.900 0.062 0.000 0.999 160 G CA 0.663 45.798 45.100 0.058 0.000 0.686 160 G HN 1.963 nan 8.290 nan 0.000 0.515 161 V N -3.615 116.343 119.914 0.074 0.000 2.795 161 V HA 0.683 4.803 4.120 -0.000 0.000 0.243 161 V C 1.784 177.975 176.094 0.161 0.000 1.069 161 V CA 1.658 64.028 62.300 0.116 0.000 1.089 161 V CB 0.439 32.304 31.823 0.070 0.000 0.756 161 V HN 2.046 nan 8.190 nan 0.000 0.471 162 G N -0.053 108.820 108.800 0.123 0.000 2.731 162 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 162 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 162 G C 0.556 175.581 174.900 0.208 0.000 0.989 162 G CA 0.148 45.339 45.100 0.152 0.000 0.871 162 G HN 0.380 nan 8.290 nan 0.000 0.591 163 K N 0.138 120.629 120.400 0.152 0.000 2.034 163 K HA -0.134 4.186 4.320 -0.000 0.000 0.214 163 K C 2.439 179.171 176.600 0.219 0.000 1.051 163 K CA 2.140 58.516 56.287 0.147 0.000 0.931 163 K CB -0.330 32.229 32.500 0.099 0.000 0.715 163 K HN 0.292 nan 8.250 nan 0.000 0.446 164 T N 0.990 115.664 114.554 0.200 0.000 2.812 164 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 164 T C 2.119 176.955 174.700 0.227 0.000 1.042 164 T CA 0.919 63.148 62.100 0.215 0.000 1.140 164 T CB -0.164 68.815 68.868 0.185 0.000 0.870 164 T HN -0.052 nan 8.240 nan 0.000 0.445 165 V N 1.097 121.145 119.914 0.224 0.000 2.261 165 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 165 V C 2.020 178.309 176.094 0.325 0.000 1.047 165 V CA 1.623 64.069 62.300 0.242 0.000 1.015 165 V CB -0.721 31.228 31.823 0.210 0.000 0.642 165 V HN 0.389 nan 8.190 nan 0.000 0.446 166 F N 0.029 120.142 119.950 0.271 0.000 2.115 166 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 166 F C 2.140 178.070 175.800 0.216 0.000 1.092 166 F CA 1.882 60.081 58.000 0.331 0.000 1.245 166 F CB -0.193 38.990 39.000 0.305 0.000 0.995 166 F HN 0.048 nan 8.300 nan 0.000 0.481 167 I N -0.403 120.433 120.570 0.443 0.000 2.252 167 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 167 I C 2.400 178.598 176.117 0.136 0.000 1.102 167 I CA 1.273 62.771 61.300 0.330 0.000 1.385 167 I CB -0.419 37.781 38.000 0.333 0.000 1.064 167 I HN 0.229 nan 8.210 nan 0.000 0.414 168 Q N -0.026 119.833 119.800 0.097 0.000 2.135 168 Q HA -0.300 4.040 4.340 -0.000 0.000 0.204 168 Q C 2.028 177.973 176.000 -0.091 0.000 0.981 168 Q CA 1.775 57.569 55.803 -0.015 0.000 0.856 168 Q CB -0.087 28.663 28.738 0.020 0.000 0.902 168 Q HN 0.367 nan 8.270 nan 0.000 0.425 169 E N 0.748 120.867 120.200 -0.135 0.000 2.072 169 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 169 E C 1.821 178.259 176.600 -0.269 0.000 0.985 169 E CA 0.869 57.063 56.400 -0.344 0.000 0.801 169 E CB -0.164 29.052 29.700 -0.806 0.000 0.750 169 E HN 0.272 nan 8.360 nan 0.000 0.452 170 L N -0.054 121.083 121.223 -0.142 0.000 2.046 170 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 170 L C 2.453 179.334 176.870 0.019 0.000 1.077 170 L CA 1.016 55.865 54.840 0.015 0.000 0.747 170 L CB -0.388 41.817 42.059 0.243 0.000 0.896 170 L HN 0.201 nan 8.230 nan 0.000 0.432 171 I N 0.039 120.548 120.570 -0.102 0.000 2.163 171 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 171 I C 2.259 178.301 176.117 -0.124 0.000 1.085 171 I CA 1.858 63.017 61.300 -0.235 0.000 1.347 171 I CB -0.344 37.405 38.000 -0.419 0.000 1.044 171 I HN 0.349 nan 8.210 nan 0.000 0.408 172 N N 0.610 119.233 118.700 -0.127 0.000 2.331 172 N HA -0.133 4.607 4.740 -0.000 0.000 0.180 172 N C 1.276 176.732 175.510 -0.089 0.000 1.019 172 N CA 1.044 54.028 53.050 -0.109 0.000 0.881 172 N CB 0.121 38.532 38.487 -0.128 0.000 0.972 172 N HN 0.222 nan 8.380 nan 0.000 0.435 173 N N -0.779 117.865 118.700 -0.092 0.000 2.236 173 N HA 0.206 4.946 4.740 -0.000 0.000 0.196 173 N C 0.589 176.094 175.510 -0.008 0.000 1.114 173 N CA 0.291 53.297 53.050 -0.073 0.000 0.859 173 N CB 0.768 39.178 38.487 -0.128 0.000 0.982 173 N HN 0.384 nan 8.380 nan 0.000 0.493 174 I N -0.633 119.956 120.570 0.031 0.000 3.650 174 I HA 0.174 4.344 4.170 -0.000 0.000 0.261 174 I C 2.003 178.188 176.117 0.112 0.000 1.154 174 I CA 0.198 61.555 61.300 0.095 0.000 1.418 174 I CB -0.288 37.807 38.000 0.157 0.000 1.539 174 I HN -0.111 nan 8.210 nan 0.000 0.449 175 A N 1.724 124.603 122.820 0.099 0.000 1.903 175 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 175 A C 2.162 179.805 177.584 0.099 0.000 1.191 175 A CA 2.359 54.460 52.037 0.107 0.000 0.638 175 A CB -0.609 18.424 19.000 0.055 0.000 0.823 175 A HN 0.360 nan 8.150 nan 0.000 0.451 176 K N -0.482 119.950 120.400 0.054 0.000 2.155 176 K HA 0.142 4.462 4.320 -0.000 0.000 0.203 176 K C 2.213 178.839 176.600 0.043 0.000 1.052 176 K CA 0.980 57.289 56.287 0.037 0.000 0.948 176 K CB -0.282 32.223 32.500 0.008 0.000 0.728 176 K HN 0.439 nan 8.250 nan 0.000 0.448 177 A N 0.661 123.513 122.820 0.053 0.000 1.969 177 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 177 A C 1.918 179.535 177.584 0.056 0.000 1.169 177 A CA 1.564 53.627 52.037 0.043 0.000 0.635 177 A CB -0.661 18.364 19.000 0.042 0.000 0.810 177 A HN 0.366 nan 8.150 nan 0.000 0.445 178 H N -0.993 118.083 119.070 0.009 0.000 2.290 178 H HA 0.067 4.623 4.556 -0.000 0.000 0.298 178 H C 1.741 177.051 175.328 -0.030 0.000 1.087 178 H CA 2.733 58.784 56.048 0.004 0.000 1.291 178 H CB -0.203 29.578 29.762 0.031 0.000 1.369 178 H HN 0.608 nan 8.280 nan 0.000 0.492 179 G N -1.743 107.093 108.800 0.059 0.000 2.225 179 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 179 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 179 G C 1.012 175.850 174.900 -0.102 0.000 0.988 179 G CA 0.766 45.835 45.100 -0.052 0.000 0.625 179 G HN 0.886 nan 8.290 nan 0.000 0.527 180 G N -0.503 108.334 108.800 0.062 0.000 3.022 180 G HA2 0.532 4.492 3.960 -0.000 0.000 0.157 180 G HA3 0.532 4.492 3.960 -0.000 0.000 0.157 180 G C -0.376 174.393 174.900 -0.218 0.000 1.691 180 G CA -0.207 44.850 45.100 -0.071 0.000 1.079 180 G HN 0.371 nan 8.290 nan 0.000 0.549 181 F N -0.186 119.772 119.950 0.014 0.000 2.529 181 F HA 0.609 5.136 4.527 -0.000 0.000 0.320 181 F C 0.332 176.071 175.800 -0.102 0.000 1.118 181 F CA -1.119 56.798 58.000 -0.138 0.000 0.915 181 F CB 2.186 40.933 39.000 -0.421 0.000 1.161 181 F HN 0.124 nan 8.300 nan 0.000 0.445 182 S N 1.789 117.598 115.700 0.182 0.000 2.565 182 S HA 0.837 5.307 4.470 -0.000 0.000 0.290 182 S C -0.878 173.819 174.600 0.162 0.000 1.150 182 S CA -0.598 57.712 58.200 0.184 0.000 1.058 182 S CB 1.762 65.117 63.200 0.258 0.000 1.032 182 S HN 0.292 nan 8.310 nan 0.000 0.510 183 V N 3.291 123.337 119.914 0.219 0.000 2.686 183 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 183 V C -1.075 175.195 176.094 0.292 0.000 1.065 183 V CA -0.741 61.680 62.300 0.203 0.000 0.894 183 V CB 1.477 33.387 31.823 0.146 0.000 1.004 183 V HN 0.834 nan 8.190 nan 0.000 0.424 184 F N 2.540 122.547 119.950 0.095 0.000 2.480 184 F HA 0.760 5.286 4.527 -0.000 0.000 0.329 184 F C 0.252 175.960 175.800 -0.154 0.000 1.091 184 F CA 0.038 58.058 58.000 0.034 0.000 0.972 184 F CB 2.203 41.204 39.000 0.001 0.000 1.150 184 F HN 0.470 nan 8.300 nan 0.000 0.467 185 T N 3.899 118.105 114.554 -0.580 0.000 2.985 185 T HA 0.372 4.722 4.350 -0.000 0.000 0.315 185 T C -0.171 174.159 174.700 -0.616 0.000 1.001 185 T CA -0.674 61.126 62.100 -0.500 0.000 1.016 185 T CB 1.005 69.682 68.868 -0.318 0.000 0.993 185 T HN 0.878 nan 8.240 nan 0.000 0.454 186 G N 2.159 110.543 108.800 -0.693 0.000 2.365 186 G HA2 0.507 4.467 3.960 -0.000 0.000 0.293 186 G HA3 0.507 4.467 3.960 -0.000 0.000 0.293 186 G C -0.343 174.526 174.900 -0.053 0.000 1.128 186 G CA -0.279 44.682 45.100 -0.231 0.000 0.971 186 G HN 0.644 nan 8.290 nan 0.000 0.422 187 V N 2.793 122.691 119.914 -0.027 0.000 2.384 187 V HA 0.631 4.751 4.120 -0.000 0.000 0.287 187 V C 1.282 177.407 176.094 0.052 0.000 1.020 187 V CA 0.383 62.687 62.300 0.008 0.000 0.850 187 V CB 0.895 32.701 31.823 -0.029 0.000 0.987 187 V HN 1.302 nan 8.190 nan 0.000 0.436 188 G N 3.284 112.122 108.800 0.062 0.000 2.205 188 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.269 188 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.269 188 G C 0.333 175.268 174.900 0.059 0.000 0.977 188 G CA 0.731 45.858 45.100 0.046 0.000 0.652 188 G HN 0.616 nan 8.290 nan 0.000 0.539 189 E N -0.273 119.989 120.200 0.104 0.000 2.790 189 E HA 0.414 4.764 4.350 -0.000 0.000 0.256 189 E C 0.871 177.546 176.600 0.125 0.000 1.246 189 E CA -0.896 55.573 56.400 0.116 0.000 1.041 189 E CB 0.475 30.269 29.700 0.157 0.000 1.272 189 E HN 0.384 nan 8.360 nan 0.000 0.603 190 R N 0.143 120.712 120.500 0.116 0.000 2.489 190 R HA 0.072 4.412 4.340 -0.000 0.000 0.287 190 R C 1.269 177.617 176.300 0.080 0.000 1.053 190 R CA 0.124 56.275 56.100 0.084 0.000 1.036 190 R CB 0.261 30.604 30.300 0.070 0.000 0.966 190 R HN 0.415 nan 8.270 nan 0.000 0.432 191 T N 1.898 116.471 114.554 0.031 0.000 2.821 191 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 191 T C 1.722 176.372 174.700 -0.085 0.000 1.046 191 T CA 1.027 63.102 62.100 -0.041 0.000 1.139 191 T CB -0.076 68.765 68.868 -0.045 0.000 0.871 191 T HN 0.481 nan 8.240 nan 0.000 0.454 192 R N 0.926 121.405 120.500 -0.035 0.000 2.193 192 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 192 R C 1.970 178.256 176.300 -0.022 0.000 1.110 192 R CA 1.227 57.308 56.100 -0.031 0.000 0.988 192 R CB -0.035 30.263 30.300 -0.004 0.000 0.871 192 R HN 0.498 nan 8.270 nan 0.000 0.458 193 E N -1.358 118.845 120.200 0.006 0.000 2.216 193 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 193 E C 1.726 178.322 176.600 -0.006 0.000 0.988 193 E CA 0.756 57.177 56.400 0.035 0.000 0.834 193 E CB 0.066 29.831 29.700 0.107 0.000 0.772 193 E HN 0.513 nan 8.360 nan 0.000 0.479 194 G N 1.431 110.166 108.800 -0.109 0.000 2.394 194 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.215 194 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.215 194 G C 1.472 176.153 174.900 -0.364 0.000 1.165 194 G CA 0.424 45.245 45.100 -0.465 0.000 0.784 194 G HN 0.164 nan 8.290 nan 0.000 0.535 195 N N 1.115 119.667 118.700 -0.246 0.000 2.104 195 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 195 N C 1.674 177.170 175.510 -0.023 0.000 1.024 195 N CA 1.520 54.504 53.050 -0.110 0.000 0.853 195 N CB -0.275 38.158 38.487 -0.090 0.000 1.008 195 N HN 0.096 nan 8.380 nan 0.000 0.424 196 D N 0.769 121.145 120.400 -0.040 0.000 2.116 196 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 196 D C 2.002 178.275 176.300 -0.045 0.000 0.998 196 D CA 0.597 54.581 54.000 -0.027 0.000 0.836 196 D CB -0.343 40.448 40.800 -0.014 0.000 0.951 196 D HN 0.245 nan 8.370 nan 0.000 0.449 197 L N -0.471 120.710 121.223 -0.070 0.000 2.027 197 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 197 L C 2.243 179.079 176.870 -0.056 0.000 1.074 197 L CA 1.378 56.147 54.840 -0.119 0.000 0.745 197 L CB -0.676 41.247 42.059 -0.228 0.000 0.898 197 L HN 0.049 nan 8.230 nan 0.000 0.433 198 Y N 0.487 120.712 120.300 -0.126 0.000 2.081 198 Y HA -0.350 4.200 4.550 -0.000 0.000 0.280 198 Y C 2.899 178.755 175.900 -0.073 0.000 1.163 198 Y CA 2.405 60.452 58.100 -0.088 0.000 1.135 198 Y CB -0.348 38.051 38.460 -0.101 0.000 0.970 198 Y HN 0.175 nan 8.280 nan 0.000 0.498 199 R N 0.096 120.540 120.500 -0.094 0.000 2.081 199 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 199 R C 2.234 178.435 176.300 -0.166 0.000 1.131 199 R CA 1.949 57.953 56.100 -0.160 0.000 0.960 199 R CB -0.364 29.905 30.300 -0.051 0.000 0.856 199 R HN 0.430 nan 8.270 nan 0.000 0.436 200 E N -0.083 120.043 120.200 -0.124 0.000 2.204 200 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 200 E C 1.812 178.332 176.600 -0.134 0.000 0.989 200 E CA 1.210 57.540 56.400 -0.116 0.000 0.824 200 E CB 0.105 29.744 29.700 -0.103 0.000 0.756 200 E HN 0.294 nan 8.360 nan 0.000 0.477 201 M N -0.160 119.344 119.600 -0.160 0.000 2.419 201 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 201 M C 2.114 178.307 176.300 -0.179 0.000 1.082 201 M CA 1.078 56.287 55.300 -0.152 0.000 1.119 201 M CB -0.185 32.338 32.600 -0.128 0.000 1.398 201 M HN 0.043 nan 8.290 nan 0.000 0.453 202 K N 0.774 121.024 120.400 -0.250 0.000 2.202 202 K HA -0.027 4.293 4.320 -0.000 0.000 0.201 202 K C 1.613 178.119 176.600 -0.157 0.000 1.051 202 K CA 0.540 56.677 56.287 -0.250 0.000 0.977 202 K CB 0.330 32.591 32.500 -0.398 0.000 0.792 202 K HN 0.210 nan 8.250 nan 0.000 0.469 203 E N 0.205 120.322 120.200 -0.138 0.000 2.038 203 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 203 E C 1.541 178.093 176.600 -0.080 0.000 1.000 203 E CA 2.052 58.394 56.400 -0.096 0.000 0.803 203 E CB -0.135 29.514 29.700 -0.086 0.000 0.750 203 E HN 0.457 nan 8.360 nan 0.000 0.448 204 T N -2.397 112.108 114.554 -0.082 0.000 3.194 204 T HA 0.237 4.587 4.350 -0.000 0.000 0.251 204 T C 1.326 175.991 174.700 -0.059 0.000 1.132 204 T CA 0.331 62.391 62.100 -0.066 0.000 1.028 204 T CB 0.276 69.104 68.868 -0.067 0.000 0.976 204 T HN 0.342 nan 8.240 nan 0.000 0.535 205 G N 0.562 109.322 108.800 -0.067 0.000 2.179 205 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 205 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 205 G C 0.732 175.607 174.900 -0.041 0.000 1.010 205 G CA 0.236 45.304 45.100 -0.053 0.000 0.736 205 G HN 0.565 nan 8.290 nan 0.000 0.513 206 V N -0.298 119.586 119.914 -0.050 0.000 2.407 206 V HA 0.195 4.315 4.120 -0.000 0.000 0.245 206 V C 1.748 177.829 176.094 -0.022 0.000 1.041 206 V CA 1.531 63.814 62.300 -0.028 0.000 1.040 206 V CB -0.095 31.708 31.823 -0.035 0.000 0.671 206 V HN 0.484 nan 8.190 nan 0.000 0.455 207 I N 1.162 121.698 120.570 -0.057 0.000 2.331 207 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 207 I C -0.259 175.821 176.117 -0.061 0.000 0.998 207 I CA 0.124 61.393 61.300 -0.052 0.000 1.267 207 I CB 1.095 39.041 38.000 -0.090 0.000 1.386 207 I HN 0.208 nan 8.210 nan 0.000 0.476 208 N N 4.955 123.641 118.700 -0.024 0.000 2.399 208 N HA 0.387 5.127 4.740 -0.000 0.000 0.284 208 N C 0.621 176.131 175.510 -0.001 0.000 1.025 208 N CA -0.556 52.483 53.050 -0.019 0.000 0.885 208 N CB 1.629 40.112 38.487 -0.007 0.000 1.339 208 N HN 0.497 nan 8.380 nan 0.000 0.487 209 L N 1.769 122.989 121.223 -0.004 0.000 1.961 209 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 209 L C 0.429 177.308 176.870 0.015 0.000 1.072 209 L CA 1.338 56.186 54.840 0.014 0.000 0.749 209 L CB -0.099 41.967 42.059 0.012 0.000 0.889 209 L HN 0.572 nan 8.230 nan 0.000 0.432 210 E N -0.245 119.960 120.200 0.009 0.000 3.012 210 E HA 0.303 4.653 4.350 -0.000 0.000 0.228 210 E C 0.196 176.801 176.600 0.009 0.000 1.184 210 E CA 0.032 56.438 56.400 0.010 0.000 1.407 210 E CB 0.689 30.393 29.700 0.008 0.000 1.438 210 E HN 0.338 nan 8.360 nan 0.000 0.435 211 G N -0.328 108.479 108.800 0.012 0.000 3.321 211 G HA2 0.369 4.329 3.960 -0.000 0.000 0.169 211 G HA3 0.369 4.329 3.960 -0.000 0.000 0.169 211 G C -0.700 174.214 174.900 0.023 0.000 1.153 211 G CA -0.460 44.648 45.100 0.013 0.000 1.007 211 G HN 0.059 nan 8.290 nan 0.000 0.668 212 E N -0.562 119.655 120.200 0.027 0.000 2.433 212 E HA 0.723 5.073 4.350 -0.000 0.000 0.273 212 E C -1.392 175.237 176.600 0.047 0.000 0.950 212 E CA -0.716 55.710 56.400 0.044 0.000 0.796 212 E CB 1.979 31.712 29.700 0.055 0.000 1.330 212 E HN 0.256 nan 8.360 nan 0.000 0.455 213 S N 0.062 115.802 115.700 0.067 0.000 2.540 213 S HA 0.320 4.789 4.470 -0.000 0.000 0.275 213 S C 0.277 174.950 174.600 0.121 0.000 1.123 213 S CA -0.730 57.509 58.200 0.064 0.000 0.907 213 S CB 1.878 65.097 63.200 0.033 0.000 1.081 213 S HN 0.359 nan 8.310 nan 0.000 0.476 214 K N 0.493 120.974 120.400 0.135 0.000 2.308 214 K HA 0.307 4.627 4.320 -0.000 0.000 0.197 214 K C 0.287 176.985 176.600 0.163 0.000 1.049 214 K CA 0.268 56.710 56.287 0.259 0.000 0.991 214 K CB 0.490 33.101 32.500 0.185 0.000 0.836 214 K HN 0.313 nan 8.250 nan 0.000 0.500 215 V N 0.512 120.466 119.914 0.067 0.000 2.864 215 V HA 0.743 4.863 4.120 -0.000 0.000 0.314 215 V C -1.635 174.484 176.094 0.042 0.000 1.073 215 V CA -0.841 61.494 62.300 0.059 0.000 0.956 215 V CB 1.782 33.657 31.823 0.086 0.000 1.023 215 V HN 0.193 nan 8.190 nan 0.000 0.435 216 A N 5.804 128.668 122.820 0.072 0.000 2.380 216 A HA 0.920 5.240 4.320 -0.000 0.000 0.315 216 A C -1.448 176.230 177.584 0.157 0.000 1.101 216 A CA -0.736 51.362 52.037 0.102 0.000 0.771 216 A CB 1.540 20.596 19.000 0.093 0.000 1.287 216 A HN 0.825 nan 8.150 nan 0.000 0.436 217 L N 1.575 122.906 121.223 0.180 0.000 2.356 217 L HA 0.635 4.975 4.340 -0.000 0.000 0.277 217 L C -1.101 175.872 176.870 0.171 0.000 0.996 217 L CA -0.903 54.080 54.840 0.239 0.000 0.822 217 L CB 1.804 44.128 42.059 0.442 0.000 1.256 217 L HN 0.393 nan 8.230 nan 0.000 0.413 218 V N 3.423 123.321 119.914 -0.027 0.000 2.487 218 V HA 0.506 4.626 4.120 -0.000 0.000 0.298 218 V C -0.966 174.956 176.094 -0.287 0.000 1.028 218 V CA -0.361 61.905 62.300 -0.057 0.000 0.860 218 V CB 1.926 33.708 31.823 -0.069 0.000 0.991 218 V HN 0.419 nan 8.190 nan 0.000 0.427 219 F N 2.436 122.423 119.950 0.063 0.000 2.539 219 F HA 0.717 5.244 4.527 -0.000 0.000 0.328 219 F C 0.576 176.397 175.800 0.034 0.000 1.148 219 F CA -0.507 57.532 58.000 0.064 0.000 0.940 219 F CB 2.406 41.444 39.000 0.064 0.000 1.194 219 F HN 0.537 nan 8.300 nan 0.000 0.438 220 G N 4.349 113.252 108.800 0.172 0.000 3.164 220 G HA2 0.449 4.409 3.960 -0.000 0.000 0.312 220 G HA3 0.449 4.409 3.960 -0.000 0.000 0.312 220 G C -0.738 174.235 174.900 0.122 0.000 1.530 220 G CA -0.423 44.747 45.100 0.118 0.000 1.079 220 G HN 0.329 nan 8.290 nan 0.000 0.527 221 Q N 1.318 121.205 119.800 0.144 0.000 2.173 221 Q HA 0.284 4.624 4.340 -0.000 0.000 0.186 221 Q C 2.099 178.142 176.000 0.071 0.000 1.018 221 Q CA -0.766 55.115 55.803 0.131 0.000 1.064 221 Q CB 0.694 29.523 28.738 0.150 0.000 1.130 221 Q HN 0.697 nan 8.270 nan 0.000 0.553 222 M N -0.074 119.561 119.600 0.058 0.000 2.358 222 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 222 M C 1.119 177.432 176.300 0.022 0.000 1.064 222 M CA 1.639 56.957 55.300 0.031 0.000 1.093 222 M CB -0.587 32.028 32.600 0.024 0.000 1.401 222 M HN 0.387 nan 8.290 nan 0.000 0.440 223 N N 0.599 119.314 118.700 0.025 0.000 2.457 223 N HA -0.039 4.701 4.740 -0.000 0.000 0.180 223 N C 0.095 175.614 175.510 0.015 0.000 1.050 223 N CA 0.690 53.750 53.050 0.016 0.000 0.906 223 N CB -0.435 38.060 38.487 0.013 0.000 0.968 223 N HN 0.431 nan 8.380 nan 0.000 0.445 224 E N 1.612 121.825 120.200 0.022 0.000 2.373 224 E HA 0.286 4.636 4.350 -0.000 0.000 0.263 224 E C -2.154 174.453 176.600 0.011 0.000 1.073 224 E CA -1.842 54.570 56.400 0.020 0.000 0.894 224 E CB 0.283 30.001 29.700 0.031 0.000 1.008 224 E HN 0.205 nan 8.360 nan 0.000 0.420 225 P HA 0.009 nan 4.420 nan 0.000 0.269 225 P C -1.792 175.507 177.300 -0.002 0.000 1.215 225 P CA -0.881 62.220 63.100 0.002 0.000 0.780 225 P CB 0.051 31.753 31.700 0.003 0.000 0.898 226 P HA -0.262 nan 4.420 nan 0.000 0.218 226 P C 1.521 178.809 177.300 -0.020 0.000 1.154 226 P CA 2.265 65.350 63.100 -0.026 0.000 0.872 226 P CB -0.648 31.032 31.700 -0.033 0.000 0.790 227 G N 0.267 109.063 108.800 -0.007 0.000 2.440 227 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 227 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 227 G C 1.820 176.729 174.900 0.016 0.000 1.154 227 G CA 1.359 46.462 45.100 0.006 0.000 0.767 227 G HN 0.400 nan 8.290 nan 0.000 0.552 228 A N 0.719 123.547 122.820 0.015 0.000 1.902 228 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 228 A C 2.445 180.044 177.584 0.025 0.000 1.181 228 A CA 1.658 53.708 52.037 0.021 0.000 0.623 228 A CB -0.378 18.636 19.000 0.023 0.000 0.818 228 A HN 0.368 nan 8.150 nan 0.000 0.443 229 R N -0.742 119.769 120.500 0.018 0.000 2.189 229 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 229 R C 2.311 178.638 176.300 0.046 0.000 1.074 229 R CA 0.851 56.963 56.100 0.021 0.000 0.991 229 R CB -0.301 29.997 30.300 -0.002 0.000 0.883 229 R HN 0.525 nan 8.270 nan 0.000 0.457 230 A N 0.866 123.707 122.820 0.036 0.000 1.929 230 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 230 A C 1.896 179.602 177.584 0.204 0.000 1.176 230 A CA 0.904 52.990 52.037 0.081 0.000 0.628 230 A CB 0.059 19.051 19.000 -0.014 0.000 0.816 230 A HN 0.057 nan 8.150 nan 0.000 0.444 231 R N -1.220 119.337 120.500 0.094 0.000 2.282 231 R HA 0.136 4.476 4.340 -0.000 0.000 0.195 231 R C 1.745 178.037 176.300 -0.014 0.000 0.909 231 R CA 0.732 56.857 56.100 0.042 0.000 1.039 231 R CB -0.868 29.448 30.300 0.026 0.000 1.015 231 R HN 0.359 nan 8.270 nan 0.000 0.513 232 V N 1.651 121.566 119.914 0.001 0.000 2.688 232 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 232 V C 2.112 178.163 176.094 -0.072 0.000 1.084 232 V CA 1.923 64.207 62.300 -0.026 0.000 1.103 232 V CB -0.332 31.488 31.823 -0.004 0.000 0.688 232 V HN 0.296 nan 8.190 nan 0.000 0.480 233 A N -0.262 122.505 122.820 -0.088 0.000 1.872 233 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 233 A C 2.041 179.515 177.584 -0.184 0.000 1.187 233 A CA 1.740 53.678 52.037 -0.164 0.000 0.614 233 A CB -0.502 18.353 19.000 -0.241 0.000 0.826 233 A HN 0.549 nan 8.150 nan 0.000 0.442 234 L N -0.419 120.690 121.223 -0.191 0.000 2.191 234 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 234 L C 2.609 179.388 176.870 -0.151 0.000 1.103 234 L CA 1.474 56.196 54.840 -0.198 0.000 0.769 234 L CB -0.921 40.980 42.059 -0.263 0.000 0.908 234 L HN 0.314 nan 8.230 nan 0.000 0.438 235 T N -0.200 114.281 114.554 -0.122 0.000 2.737 235 T HA -0.103 4.246 4.350 -0.000 0.000 0.265 235 T C 1.853 176.505 174.700 -0.080 0.000 1.038 235 T CA 1.482 63.529 62.100 -0.089 0.000 1.144 235 T CB -0.454 68.377 68.868 -0.062 0.000 0.866 235 T HN 0.548 nan 8.240 nan 0.000 0.434 236 G N 0.700 109.447 108.800 -0.088 0.000 2.534 236 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.217 236 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.217 236 G C 1.482 176.340 174.900 -0.069 0.000 1.128 236 G CA 0.269 45.325 45.100 -0.075 0.000 0.784 236 G HN 0.379 nan 8.290 nan 0.000 0.542 237 L N 0.855 122.019 121.223 -0.098 0.000 2.095 237 L HA 0.105 4.445 4.340 -0.000 0.000 0.204 237 L C 2.724 179.552 176.870 -0.071 0.000 1.080 237 L CA 2.145 56.928 54.840 -0.094 0.000 0.759 237 L CB -0.728 41.251 42.059 -0.133 0.000 0.914 237 L HN 0.104 nan 8.230 nan 0.000 0.439 238 T N -0.255 114.250 114.554 -0.082 0.000 3.007 238 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 238 T C 1.990 176.635 174.700 -0.093 0.000 1.107 238 T CA 1.440 63.495 62.100 -0.075 0.000 1.118 238 T CB -0.308 68.513 68.868 -0.078 0.000 0.889 238 T HN 0.281 nan 8.240 nan 0.000 0.506 239 I N 1.315 121.830 120.570 -0.092 0.000 2.202 239 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 239 I C 2.854 178.884 176.117 -0.145 0.000 1.091 239 I CA 1.160 62.379 61.300 -0.136 0.000 1.368 239 I CB -0.336 37.661 38.000 -0.005 0.000 1.058 239 I HN 0.218 nan 8.210 nan 0.000 0.410 240 A N -0.202 122.644 122.820 0.044 0.000 2.014 240 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 240 A C 2.123 179.761 177.584 0.089 0.000 1.163 240 A CA 1.074 53.217 52.037 0.177 0.000 0.652 240 A CB -0.422 18.646 19.000 0.114 0.000 0.808 240 A HN 0.403 nan 8.150 nan 0.000 0.449 241 E N -1.839 118.362 120.200 0.003 0.000 2.274 241 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 241 E C 1.543 178.137 176.600 -0.011 0.000 0.996 241 E CA 0.840 57.238 56.400 -0.003 0.000 0.840 241 E CB -0.151 29.538 29.700 -0.018 0.000 0.772 241 E HN 0.819 nan 8.360 nan 0.000 0.491 242 Y N 0.076 120.249 120.300 -0.212 0.000 2.206 242 Y HA -0.184 4.366 4.550 -0.000 0.000 0.292 242 Y C 1.744 177.549 175.900 -0.160 0.000 1.123 242 Y CA 1.339 59.285 58.100 -0.256 0.000 1.142 242 Y CB -0.124 38.076 38.460 -0.433 0.000 1.006 242 Y HN -0.068 nan 8.280 nan 0.000 0.518 243 F N 0.247 120.301 119.950 0.173 0.000 2.202 243 F HA -0.159 4.368 4.527 -0.000 0.000 0.301 243 F C 2.602 178.440 175.800 0.065 0.000 1.082 243 F CA 1.625 59.714 58.000 0.148 0.000 1.313 243 F CB -0.869 38.256 39.000 0.208 0.000 1.024 243 F HN 0.004 nan 8.300 nan 0.000 0.495 244 R N 0.586 121.195 120.500 0.181 0.000 2.064 244 R HA -0.131 4.209 4.340 -0.000 0.000 0.228 244 R C 1.745 178.052 176.300 0.011 0.000 1.144 244 R CA 2.071 58.224 56.100 0.089 0.000 0.932 244 R CB -0.397 29.935 30.300 0.053 0.000 0.833 244 R HN 0.103 nan 8.270 nan 0.000 0.429 245 D N -0.056 120.310 120.400 -0.056 0.000 2.162 245 D HA -0.083 4.557 4.640 -0.000 0.000 0.203 245 D C 1.842 178.053 176.300 -0.148 0.000 0.967 245 D CA 0.957 54.901 54.000 -0.094 0.000 0.840 245 D CB 0.075 40.813 40.800 -0.103 0.000 0.972 245 D HN 0.278 nan 8.370 nan 0.000 0.482 246 E N 0.572 120.605 120.200 -0.278 0.000 2.127 246 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 246 E C 1.530 178.031 176.600 -0.164 0.000 0.964 246 E CA 0.420 56.606 56.400 -0.356 0.000 0.832 246 E CB 0.071 29.228 29.700 -0.904 0.000 0.790 246 E HN 0.410 nan 8.360 nan 0.000 0.465 247 E N 0.392 120.560 120.200 -0.054 0.000 2.479 247 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 247 E C 0.529 177.182 176.600 0.089 0.000 1.049 247 E CA 0.306 56.772 56.400 0.111 0.000 0.870 247 E CB 0.359 30.265 29.700 0.343 0.000 0.944 247 E HN 0.216 nan 8.360 nan 0.000 0.492 248 G N 2.734 111.558 108.800 0.041 0.000 2.395 248 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.300 248 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.300 248 G C 0.208 175.130 174.900 0.037 0.000 0.998 248 G CA 0.598 45.713 45.100 0.025 0.000 1.046 248 G HN 0.122 nan 8.290 nan 0.000 0.513 249 Q N -0.835 119.010 119.800 0.075 0.000 2.207 249 Q HA 0.427 4.767 4.340 -0.000 0.000 0.237 249 Q C -0.491 175.553 176.000 0.072 0.000 0.998 249 Q CA -0.663 55.178 55.803 0.063 0.000 0.951 249 Q CB 1.122 29.927 28.738 0.112 0.000 1.213 249 Q HN 0.381 nan 8.270 nan 0.000 0.499 250 D N 0.127 120.577 120.400 0.084 0.000 2.317 250 D HA 0.346 4.986 4.640 -0.000 0.000 0.234 250 D C -1.174 175.300 176.300 0.291 0.000 1.112 250 D CA -0.145 53.965 54.000 0.184 0.000 0.840 250 D CB 0.950 41.836 40.800 0.143 0.000 1.078 250 D HN 0.024 nan 8.370 nan 0.000 0.486 251 V N 4.219 124.219 119.914 0.143 0.000 2.547 251 V HA 0.442 4.562 4.120 -0.000 0.000 0.299 251 V C -0.032 175.992 176.094 -0.117 0.000 1.040 251 V CA -0.894 61.439 62.300 0.054 0.000 0.913 251 V CB 1.604 33.490 31.823 0.105 0.000 0.992 251 V HN 0.412 nan 8.190 nan 0.000 0.449 252 L N 5.152 126.261 121.223 -0.190 0.000 2.298 252 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 252 L C -0.752 175.945 176.870 -0.288 0.000 1.013 252 L CA -0.435 54.213 54.840 -0.321 0.000 0.824 252 L CB 1.551 43.450 42.059 -0.268 0.000 1.221 252 L HN 0.469 nan 8.230 nan 0.000 0.418 253 L N 3.619 124.559 121.223 -0.471 0.000 2.334 253 L HA 0.684 5.024 4.340 -0.000 0.000 0.276 253 L C -1.343 175.114 176.870 -0.689 0.000 1.014 253 L CA 0.110 54.732 54.840 -0.363 0.000 0.815 253 L CB 1.500 43.429 42.059 -0.215 0.000 1.268 253 L HN 0.235 nan 8.230 nan 0.000 0.428 254 F N 5.445 125.296 119.950 -0.166 0.000 2.529 254 F HA 0.642 5.169 4.527 -0.000 0.000 0.320 254 F C -0.372 175.082 175.800 -0.576 0.000 1.118 254 F CA -0.477 57.350 58.000 -0.289 0.000 0.915 254 F CB 1.635 40.547 39.000 -0.146 0.000 1.161 254 F HN 0.195 nan 8.300 nan 0.000 0.445 255 I N 2.574 122.948 120.570 -0.327 0.000 2.533 255 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 255 I C -1.484 174.462 176.117 -0.286 0.000 1.056 255 I CA -0.519 60.552 61.300 -0.382 0.000 1.057 255 I CB 2.255 40.093 38.000 -0.271 0.000 1.240 255 I HN 0.443 nan 8.210 nan 0.000 0.423 256 D N 5.337 125.571 120.400 -0.277 0.000 2.354 256 D HA 0.191 4.831 4.640 -0.000 0.000 0.230 256 D C -1.593 174.709 176.300 0.004 0.000 1.361 256 D CA -0.311 53.644 54.000 -0.076 0.000 0.992 256 D CB 1.129 41.950 40.800 0.034 0.000 1.409 256 D HN 0.413 nan 8.370 nan 0.000 0.573 257 N N 3.679 122.400 118.700 0.034 0.000 2.321 257 N HA 0.299 5.039 4.740 -0.000 0.000 0.299 257 N C 0.457 175.989 175.510 0.037 0.000 1.048 257 N CA -0.463 52.617 53.050 0.050 0.000 0.836 257 N CB 1.877 40.445 38.487 0.134 0.000 1.269 257 N HN 0.476 nan 8.380 nan 0.000 0.486 258 I N 3.201 123.773 120.570 0.002 0.000 3.251 258 I HA -0.023 4.147 4.170 -0.000 0.000 0.277 258 I C 1.591 177.761 176.117 0.089 0.000 1.268 258 I CA 0.251 61.545 61.300 -0.009 0.000 1.449 258 I CB -0.112 37.817 38.000 -0.117 0.000 1.083 258 I HN 0.560 nan 8.210 nan 0.000 0.464 259 F N 1.563 121.511 119.950 -0.004 0.000 2.171 259 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 259 F C 2.249 178.085 175.800 0.060 0.000 1.090 259 F CA 1.373 59.398 58.000 0.042 0.000 1.293 259 F CB -0.307 38.754 39.000 0.101 0.000 1.013 259 F HN -0.084 nan 8.300 nan 0.000 0.486 260 R N 0.063 120.524 120.500 -0.064 0.000 2.355 260 R HA -0.193 4.147 4.340 -0.000 0.000 0.219 260 R C 1.991 178.199 176.300 -0.153 0.000 1.107 260 R CA 1.184 57.181 56.100 -0.172 0.000 1.021 260 R CB -1.458 28.838 30.300 -0.007 0.000 0.852 260 R HN 0.511 nan 8.270 nan 0.000 0.475 261 F N 1.140 120.949 119.950 -0.235 0.000 2.118 261 F HA -0.080 4.447 4.527 -0.000 0.000 0.293 261 F C 1.976 177.650 175.800 -0.211 0.000 1.102 261 F CA 1.347 59.236 58.000 -0.186 0.000 1.247 261 F CB -0.468 38.441 39.000 -0.151 0.000 1.017 261 F HN -0.169 nan 8.300 nan 0.000 0.475 262 T N 0.548 114.790 114.554 -0.520 0.000 2.746 262 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 262 T C 1.929 176.360 174.700 -0.448 0.000 1.039 262 T CA 1.663 63.416 62.100 -0.578 0.000 1.142 262 T CB -0.505 68.158 68.868 -0.342 0.000 0.866 262 T HN 0.416 nan 8.240 nan 0.000 0.444 263 Q N 0.628 120.089 119.800 -0.565 0.000 2.096 263 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 263 Q C 2.580 178.436 176.000 -0.239 0.000 0.982 263 Q CA 1.579 57.156 55.803 -0.376 0.000 0.850 263 Q CB -0.325 28.070 28.738 -0.572 0.000 0.901 263 Q HN 0.569 nan 8.270 nan 0.000 0.422 264 A N 0.309 122.963 122.820 -0.275 0.000 1.908 264 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 264 A C 2.213 179.684 177.584 -0.189 0.000 1.181 264 A CA 1.735 53.657 52.037 -0.191 0.000 0.627 264 A CB -1.183 17.720 19.000 -0.162 0.000 0.818 264 A HN 0.588 nan 8.150 nan 0.000 0.445 265 G N -0.555 108.072 108.800 -0.288 0.000 2.471 265 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.219 265 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.219 265 G C 1.528 176.359 174.900 -0.115 0.000 1.125 265 G CA 1.366 46.330 45.100 -0.226 0.000 0.775 265 G HN 0.939 nan 8.290 nan 0.000 0.548 266 S N -0.748 114.901 115.700 -0.084 0.000 2.660 266 S HA 0.258 4.728 4.470 -0.000 0.000 0.227 266 S C 1.198 175.769 174.600 -0.048 0.000 0.948 266 S CA 0.094 58.281 58.200 -0.022 0.000 0.948 266 S CB 0.238 63.471 63.200 0.055 0.000 0.779 266 S HN 0.483 nan 8.310 nan 0.000 0.487 267 E N 0.342 120.507 120.200 -0.057 0.000 2.465 267 E HA 0.098 4.448 4.350 -0.000 0.000 0.209 267 E C 1.522 178.101 176.600 -0.035 0.000 0.951 267 E CA 0.572 56.946 56.400 -0.044 0.000 0.997 267 E CB 0.964 30.637 29.700 -0.045 0.000 1.025 267 E HN 0.572 nan 8.360 nan 0.000 0.500 268 V N -2.897 116.995 119.914 -0.037 0.000 3.570 268 V HA 0.139 4.259 4.120 -0.000 0.000 0.257 268 V C 2.074 178.156 176.094 -0.019 0.000 1.272 268 V CA 0.591 62.875 62.300 -0.026 0.000 1.079 268 V CB 0.674 32.481 31.823 -0.027 0.000 0.829 268 V HN 0.051 nan 8.190 nan 0.000 0.454 269 S N 1.522 117.209 115.700 -0.022 0.000 2.380 269 S HA -0.233 4.237 4.470 -0.000 0.000 0.229 269 S C 2.170 176.768 174.600 -0.003 0.000 1.043 269 S CA 2.424 60.619 58.200 -0.010 0.000 1.038 269 S CB -0.525 62.674 63.200 -0.001 0.000 0.872 269 S HN 1.025 nan 8.310 nan 0.000 0.456 270 A N 1.100 123.916 122.820 -0.007 0.000 1.902 270 A HA 0.047 4.366 4.320 -0.000 0.000 0.217 270 A C 2.070 179.652 177.584 -0.004 0.000 1.181 270 A CA 1.480 53.514 52.037 -0.005 0.000 0.623 270 A CB -0.696 18.298 19.000 -0.010 0.000 0.818 270 A HN 0.595 nan 8.150 nan 0.000 0.443 271 L N -0.893 120.327 121.223 -0.006 0.000 2.552 271 L HA 0.058 4.398 4.340 -0.000 0.000 0.227 271 L C 1.919 178.789 176.870 -0.000 0.000 1.146 271 L CA 0.128 54.966 54.840 -0.004 0.000 0.858 271 L CB -0.298 41.758 42.059 -0.005 0.000 0.969 271 L HN 0.295 nan 8.230 nan 0.000 0.451 272 L N -0.008 121.215 121.223 0.000 0.000 2.418 272 L HA 0.150 4.490 4.340 -0.000 0.000 0.218 272 L C 1.264 178.138 176.870 0.007 0.000 1.125 272 L CA 0.519 55.362 54.840 0.004 0.000 0.835 272 L CB -0.178 41.884 42.059 0.004 0.000 0.953 272 L HN 0.429 nan 8.230 nan 0.000 0.454 273 G N 1.068 109.871 108.800 0.006 0.000 2.248 273 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 273 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 273 G C -0.223 174.683 174.900 0.009 0.000 1.082 273 G CA -0.208 44.896 45.100 0.007 0.000 0.863 273 G HN 0.362 nan 8.290 nan 0.000 0.495 274 R N -0.751 119.756 120.500 0.010 0.000 2.637 274 R HA 0.693 5.033 4.340 -0.000 0.000 0.291 274 R C 0.717 177.025 176.300 0.015 0.000 0.963 274 R CA -1.139 54.969 56.100 0.014 0.000 0.901 274 R CB 1.382 31.692 30.300 0.017 0.000 1.160 274 R HN 0.230 nan 8.270 nan 0.000 0.457 275 I N 3.503 124.082 120.570 0.016 0.000 2.742 275 I HA 0.025 4.195 4.170 -0.000 0.000 0.287 275 I C -1.733 174.398 176.117 0.023 0.000 1.186 275 I CA -1.297 60.012 61.300 0.016 0.000 1.417 275 I CB -0.088 37.921 38.000 0.015 0.000 1.377 275 I HN 0.271 nan 8.210 nan 0.000 0.556 276 P HA 0.063 nan 4.420 nan 0.000 0.268 276 P C -0.331 176.999 177.300 0.049 0.000 1.205 276 P CA -0.013 63.107 63.100 0.033 0.000 0.771 276 P CB 0.812 32.521 31.700 0.015 0.000 0.858 277 S N 1.471 117.223 115.700 0.086 0.000 2.745 277 S HA 0.656 5.126 4.470 -0.000 0.000 0.292 277 S C -0.332 174.365 174.600 0.162 0.000 1.133 277 S CA -0.594 57.674 58.200 0.113 0.000 0.998 277 S CB 0.333 63.611 63.200 0.129 0.000 1.087 277 S HN 0.550 nan 8.310 nan 0.000 0.551 278 A N 0.906 123.843 122.820 0.194 0.000 2.600 278 A HA 0.222 4.542 4.320 -0.000 0.000 0.244 278 A C 0.178 178.043 177.584 0.468 0.000 1.016 278 A CA 0.716 52.911 52.037 0.263 0.000 0.778 278 A CB -1.322 17.909 19.000 0.385 0.000 0.920 278 A HN 1.245 nan 8.150 nan 0.000 0.513 279 F N 0.405 120.393 119.950 0.062 0.000 3.043 279 F HA -0.226 4.301 4.527 -0.000 0.000 0.290 279 F C 1.642 177.304 175.800 -0.229 0.000 0.844 279 F CA 1.294 59.271 58.000 -0.037 0.000 1.184 279 F CB -1.568 37.456 39.000 0.039 0.000 1.246 279 F HN 1.920 nan 8.300 nan 0.000 0.536 280 G N -2.100 106.690 108.800 -0.017 0.000 2.189 280 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.267 280 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.267 280 G C 0.124 174.988 174.900 -0.060 0.000 0.975 280 G CA 0.217 45.271 45.100 -0.076 0.000 0.644 280 G HN 0.502 nan 8.290 nan 0.000 0.537 281 Y N 2.248 122.609 120.300 0.102 0.000 2.411 281 Y HA 0.368 4.918 4.550 -0.000 0.000 0.333 281 Y C 1.420 177.339 175.900 0.031 0.000 1.186 281 Y CA -0.436 57.700 58.100 0.060 0.000 1.381 281 Y CB 0.570 39.081 38.460 0.085 0.000 1.273 281 Y HN 0.451 nan 8.280 nan 0.000 0.546 282 Q N 4.316 124.228 119.800 0.188 0.000 2.333 282 Q HA -0.018 4.322 4.340 -0.000 0.000 0.299 282 Q C -2.275 173.775 176.000 0.082 0.000 1.067 282 Q CA -1.180 54.676 55.803 0.087 0.000 0.943 282 Q CB 0.431 29.189 28.738 0.032 0.000 1.233 282 Q HN 0.410 nan 8.270 nan 0.000 0.401 283 P HA -0.088 nan 4.420 nan 0.000 0.220 283 P C 0.483 177.810 177.300 0.045 0.000 1.148 283 P CA 1.619 64.752 63.100 0.055 0.000 0.803 283 P CB -0.034 31.691 31.700 0.042 0.000 0.782 284 T N -2.940 111.634 114.554 0.034 0.000 3.783 284 T HA 0.270 4.619 4.350 -0.000 0.000 0.262 284 T C 0.913 175.624 174.700 0.017 0.000 1.381 284 T CA -0.385 61.732 62.100 0.029 0.000 1.155 284 T CB -0.928 67.956 68.868 0.026 0.000 1.256 284 T HN -0.072 nan 8.240 nan 0.000 0.807 285 L N 1.465 122.698 121.223 0.017 0.000 2.145 285 L HA 0.340 4.680 4.340 -0.000 0.000 0.201 285 L C 2.676 179.555 176.870 0.014 0.000 1.075 285 L CA 1.178 56.010 54.840 -0.013 0.000 0.773 285 L CB -0.568 41.468 42.059 -0.039 0.000 0.936 285 L HN 0.511 nan 8.230 nan 0.000 0.451 286 A N -0.443 122.400 122.820 0.038 0.000 1.855 286 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 286 A C 2.329 179.961 177.584 0.079 0.000 1.191 286 A CA 2.283 54.360 52.037 0.067 0.000 0.613 286 A CB -1.298 17.746 19.000 0.075 0.000 0.829 286 A HN 0.578 nan 8.150 nan 0.000 0.442 287 T N -3.273 111.322 114.554 0.069 0.000 3.043 287 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 287 T C 1.082 175.832 174.700 0.083 0.000 1.094 287 T CA 1.336 63.480 62.100 0.073 0.000 1.127 287 T CB -0.247 68.656 68.868 0.058 0.000 0.905 287 T HN 0.266 nan 8.240 nan 0.000 0.490 288 D N 0.566 121.021 120.400 0.092 0.000 2.234 288 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 288 D C 1.798 178.245 176.300 0.246 0.000 0.962 288 D CA 0.608 54.699 54.000 0.153 0.000 0.855 288 D CB -0.208 40.656 40.800 0.106 0.000 0.951 288 D HN 0.419 nan 8.370 nan 0.000 0.500 289 M N -0.285 119.411 119.600 0.160 0.000 2.287 289 M HA 0.059 4.539 4.480 -0.000 0.000 0.266 289 M C 1.926 178.187 176.300 -0.064 0.000 1.079 289 M CA 1.308 56.647 55.300 0.065 0.000 1.146 289 M CB 0.138 32.710 32.600 -0.046 0.000 1.374 289 M HN -0.003 nan 8.290 nan 0.000 0.435 290 G N 0.524 109.339 108.800 0.025 0.000 2.432 290 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 290 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 290 G C 1.274 176.203 174.900 0.049 0.000 1.135 290 G CA 0.569 45.724 45.100 0.093 0.000 0.767 290 G HN 0.448 nan 8.290 nan 0.000 0.550 291 L N -0.336 120.910 121.223 0.038 0.000 2.599 291 L HA 0.235 4.575 4.340 -0.000 0.000 0.230 291 L C 2.112 178.961 176.870 -0.035 0.000 1.141 291 L CA -0.081 54.776 54.840 0.028 0.000 0.877 291 L CB 0.221 42.322 42.059 0.069 0.000 1.009 291 L HN 0.241 nan 8.230 nan 0.000 0.447 292 L N -1.821 119.335 121.223 -0.112 0.000 2.600 292 L HA 0.128 4.468 4.340 -0.000 0.000 0.213 292 L C 2.031 178.783 176.870 -0.196 0.000 1.045 292 L CA 1.147 55.845 54.840 -0.236 0.000 0.863 292 L CB -0.176 41.568 42.059 -0.526 0.000 1.189 292 L HN 0.013 nan 8.230 nan 0.000 0.484 293 Q N 0.231 119.932 119.800 -0.164 0.000 2.432 293 Q HA 0.031 4.371 4.340 -0.000 0.000 0.205 293 Q C 1.085 177.091 176.000 0.011 0.000 0.945 293 Q CA 0.539 56.282 55.803 -0.100 0.000 0.924 293 Q CB 0.281 28.929 28.738 -0.150 0.000 1.016 293 Q HN 0.575 nan 8.270 nan 0.000 0.503 294 E N 0.024 120.235 120.200 0.019 0.000 2.479 294 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 294 E C 1.309 177.910 176.600 0.001 0.000 1.049 294 E CA 0.040 56.462 56.400 0.036 0.000 0.870 294 E CB 0.404 30.139 29.700 0.057 0.000 0.944 294 E HN 0.272 nan 8.360 nan 0.000 0.492 295 R N 0.106 120.588 120.500 -0.030 0.000 2.206 295 R HA 0.229 4.569 4.340 -0.000 0.000 0.198 295 R C 0.896 177.165 176.300 -0.051 0.000 0.986 295 R CA 0.143 56.218 56.100 -0.041 0.000 1.029 295 R CB 0.358 30.623 30.300 -0.058 0.000 0.966 295 R HN 0.015 nan 8.270 nan 0.000 0.487 296 I N 1.931 122.461 120.570 -0.068 0.000 2.278 296 I HA 0.066 4.236 4.170 -0.000 0.000 0.300 296 I C 0.062 176.147 176.117 -0.053 0.000 1.174 296 I CA 0.240 61.495 61.300 -0.076 0.000 1.347 296 I CB 0.403 38.337 38.000 -0.110 0.000 1.473 296 I HN -0.077 nan 8.210 nan 0.000 0.595 297 T N 2.511 117.041 114.554 -0.040 0.000 2.889 297 T HA 0.317 4.667 4.350 -0.000 0.000 0.315 297 T C -0.426 174.259 174.700 -0.025 0.000 1.291 297 T CA -0.418 61.665 62.100 -0.028 0.000 1.028 297 T CB 1.798 70.656 68.868 -0.016 0.000 1.235 297 T HN 0.259 nan 8.240 nan 0.000 0.491 298 T N 3.829 118.369 114.554 -0.023 0.000 2.780 298 T HA 0.552 4.902 4.350 -0.000 0.000 0.294 298 T C 0.648 175.332 174.700 -0.027 0.000 0.949 298 T CA -0.276 61.812 62.100 -0.020 0.000 1.074 298 T CB 0.674 69.532 68.868 -0.016 0.000 0.910 298 T HN 0.856 nan 8.240 nan 0.000 0.501 299 T N 1.584 116.123 114.554 -0.026 0.000 2.893 299 T HA 0.449 4.799 4.350 -0.000 0.000 0.281 299 T C 1.218 175.896 174.700 -0.036 0.000 1.027 299 T CA -0.859 61.219 62.100 -0.036 0.000 0.953 299 T CB 1.027 69.875 68.868 -0.032 0.000 1.434 299 T HN 0.348 nan 8.240 nan 0.000 0.597 300 K N -0.079 120.297 120.400 -0.041 0.000 2.305 300 K HA 0.155 4.475 4.320 -0.000 0.000 0.199 300 K C 2.149 178.732 176.600 -0.028 0.000 1.047 300 K CA 0.418 56.683 56.287 -0.037 0.000 0.976 300 K CB 0.093 32.567 32.500 -0.042 0.000 0.765 300 K HN 0.396 nan 8.250 nan 0.000 0.474 301 K N 0.027 120.410 120.400 -0.029 0.000 2.365 301 K HA 0.070 4.390 4.320 -0.000 0.000 0.197 301 K C 0.805 177.394 176.600 -0.019 0.000 1.042 301 K CA 0.571 56.842 56.287 -0.028 0.000 0.987 301 K CB 0.685 33.164 32.500 -0.036 0.000 0.779 301 K HN 0.157 nan 8.250 nan 0.000 0.484 302 G N 0.144 108.938 108.800 -0.011 0.000 2.506 302 G HA2 0.246 4.206 3.960 -0.000 0.000 0.292 302 G HA3 0.246 4.206 3.960 -0.000 0.000 0.292 302 G C -1.732 173.174 174.900 0.010 0.000 1.425 302 G CA -0.521 44.583 45.100 0.008 0.000 0.788 302 G HN -0.073 nan 8.290 nan 0.000 0.490 303 S N -1.289 114.427 115.700 0.027 0.000 2.521 303 S HA 0.714 5.184 4.470 -0.000 0.000 0.295 303 S C -1.004 173.613 174.600 0.029 0.000 1.098 303 S CA -0.547 57.667 58.200 0.024 0.000 0.999 303 S CB 1.721 64.939 63.200 0.031 0.000 1.034 303 S HN 1.162 nan 8.310 nan 0.000 0.483 304 V N 4.443 124.358 119.914 0.002 0.000 2.398 304 V HA 0.360 4.480 4.120 -0.000 0.000 0.282 304 V C 0.021 176.075 176.094 -0.066 0.000 1.014 304 V CA -0.742 61.542 62.300 -0.027 0.000 0.838 304 V CB 1.084 32.886 31.823 -0.035 0.000 1.018 304 V HN 0.932 nan 8.190 nan 0.000 0.432 305 T N 3.909 118.409 114.554 -0.089 0.000 2.870 305 T HA 0.418 4.768 4.350 -0.000 0.000 0.300 305 T C 0.310 174.849 174.700 -0.267 0.000 0.989 305 T CA -0.015 61.999 62.100 -0.144 0.000 1.139 305 T CB 0.692 69.485 68.868 -0.126 0.000 0.920 305 T HN 0.891 nan 8.240 nan 0.000 0.537 306 S N 1.656 117.190 115.700 -0.277 0.000 2.750 306 S HA 0.485 4.955 4.470 -0.000 0.000 0.276 306 S C -0.834 173.561 174.600 -0.341 0.000 1.165 306 S CA -0.935 57.055 58.200 -0.350 0.000 1.047 306 S CB 0.783 63.838 63.200 -0.241 0.000 1.056 306 S HN 0.384 nan 8.310 nan 0.000 0.481 307 V N 3.725 123.381 119.914 -0.429 0.000 2.311 307 V HA 0.427 4.547 4.120 -0.000 0.000 0.275 307 V C -0.196 175.808 176.094 -0.151 0.000 1.022 307 V CA -0.380 61.778 62.300 -0.237 0.000 0.830 307 V CB 0.769 32.569 31.823 -0.039 0.000 1.012 307 V HN 0.916 nan 8.190 nan 0.000 0.452 308 Q N 3.107 122.804 119.800 -0.173 0.000 2.307 308 Q HA 0.702 5.042 4.340 -0.000 0.000 0.262 308 Q C -0.016 175.883 176.000 -0.168 0.000 0.961 308 Q CA -0.517 55.182 55.803 -0.173 0.000 0.882 308 Q CB 2.248 30.858 28.738 -0.213 0.000 1.264 308 Q HN 0.874 nan 8.270 nan 0.000 0.446 309 A N 2.757 125.514 122.820 -0.106 0.000 2.404 309 A HA 0.398 4.718 4.320 -0.000 0.000 0.273 309 A C -0.316 177.179 177.584 -0.148 0.000 1.144 309 A CA -0.370 51.613 52.037 -0.091 0.000 0.806 309 A CB 0.321 19.333 19.000 0.020 0.000 1.080 309 A HN 0.525 nan 8.150 nan 0.000 0.509 310 V N 4.454 124.188 119.914 -0.300 0.000 2.334 310 V HA 0.167 4.287 4.120 -0.000 0.000 0.281 310 V C -0.357 175.617 176.094 -0.201 0.000 1.016 310 V CA -0.461 61.620 62.300 -0.365 0.000 0.832 310 V CB 0.566 31.793 31.823 -0.993 0.000 0.999 310 V HN 0.807 nan 8.190 nan 0.000 0.439 311 Y N 5.234 125.441 120.300 -0.154 0.000 2.346 311 Y HA 0.469 5.019 4.550 -0.000 0.000 0.330 311 Y C 0.035 175.650 175.900 -0.473 0.000 1.178 311 Y CA -0.084 57.858 58.100 -0.264 0.000 1.331 311 Y CB 1.297 39.617 38.460 -0.234 0.000 1.253 311 Y HN 0.394 nan 8.280 nan 0.000 0.529 312 V N 8.821 128.160 119.914 -0.958 0.000 2.293 312 V HA 0.270 4.390 4.120 -0.000 0.000 0.275 312 V C -2.242 173.316 176.094 -0.893 0.000 1.021 312 V CA -2.053 59.833 62.300 -0.690 0.000 0.815 312 V CB 0.747 32.381 31.823 -0.316 0.000 1.025 312 V HN 0.698 nan 8.190 nan 0.000 0.448 313 P HA 0.120 nan 4.420 nan 0.000 0.266 313 P C 0.507 177.731 177.300 -0.127 0.000 1.215 313 P CA 0.808 63.809 63.100 -0.165 0.000 0.763 313 P CB 0.908 32.644 31.700 0.059 0.000 0.806 314 A N 4.103 126.873 122.820 -0.084 0.000 2.791 314 A HA -0.230 4.090 4.320 -0.000 0.000 0.292 314 A C 0.987 178.524 177.584 -0.080 0.000 1.487 314 A CA 1.115 53.125 52.037 -0.044 0.000 0.760 314 A CB -2.623 16.387 19.000 0.017 0.000 1.031 314 A HN 0.566 nan 8.150 nan 0.000 0.503 315 D N -1.802 118.510 120.400 -0.146 0.000 2.921 315 D HA -0.208 4.431 4.640 -0.000 0.000 0.202 315 D C -0.035 176.212 176.300 -0.087 0.000 1.082 315 D CA 2.346 56.275 54.000 -0.118 0.000 1.014 315 D CB -1.036 39.723 40.800 -0.069 0.000 1.120 315 D HN 1.013 nan 8.370 nan 0.000 0.416 316 D N 0.230 120.579 120.400 -0.084 0.000 2.374 316 D HA 0.166 4.806 4.640 -0.000 0.000 0.240 316 D C 1.417 177.686 176.300 -0.052 0.000 1.229 316 D CA -0.129 53.835 54.000 -0.060 0.000 0.895 316 D CB 0.195 40.957 40.800 -0.063 0.000 1.046 316 D HN 0.167 nan 8.370 nan 0.000 0.498 317 L N 2.761 123.973 121.223 -0.019 0.000 2.456 317 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 317 L C 2.172 179.076 176.870 0.058 0.000 1.148 317 L CA 1.222 56.087 54.840 0.043 0.000 0.825 317 L CB -0.262 41.826 42.059 0.047 0.000 0.937 317 L HN 0.525 nan 8.230 nan 0.000 0.450 318 T N -4.923 109.632 114.554 0.001 0.000 3.081 318 T HA -0.068 4.282 4.350 -0.000 0.000 0.255 318 T C 0.826 175.502 174.700 -0.040 0.000 1.113 318 T CA -0.391 61.709 62.100 -0.001 0.000 1.082 318 T CB -0.236 68.629 68.868 -0.005 0.000 0.939 318 T HN 0.185 nan 8.240 nan 0.000 0.506 319 D N 2.995 123.336 120.400 -0.098 0.000 2.533 319 D HA 0.005 4.645 4.640 -0.000 0.000 0.236 319 D C -1.303 174.945 176.300 -0.087 0.000 1.137 319 D CA -1.275 52.615 54.000 -0.184 0.000 0.867 319 D CB 1.364 42.084 40.800 -0.134 0.000 1.170 319 D HN 0.007 nan 8.370 nan 0.000 0.474 320 P HA -0.281 nan 4.420 nan 0.000 0.222 320 P C 0.968 178.178 177.300 -0.151 0.000 1.159 320 P CA 2.491 65.528 63.100 -0.105 0.000 0.920 320 P CB -0.014 31.600 31.700 -0.142 0.000 0.793 321 A N -0.003 122.657 122.820 -0.267 0.000 1.837 321 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 321 A C 0.082 177.695 177.584 0.047 0.000 1.210 321 A CA 3.032 54.992 52.037 -0.129 0.000 0.632 321 A CB -2.326 16.720 19.000 0.076 0.000 0.843 321 A HN 0.232 nan 8.150 nan 0.000 0.448 322 P HA -0.132 nan 4.420 nan 0.000 0.216 322 P C 1.636 179.014 177.300 0.131 0.000 1.153 322 P CA 2.058 65.244 63.100 0.144 0.000 0.848 322 P CB -0.294 31.508 31.700 0.171 0.000 0.787 323 A N 0.139 123.053 122.820 0.156 0.000 1.927 323 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 323 A C 2.329 180.065 177.584 0.254 0.000 1.185 323 A CA 2.817 55.005 52.037 0.252 0.000 0.639 323 A CB -2.030 17.051 19.000 0.135 0.000 0.820 323 A HN 0.245 nan 8.150 nan 0.000 0.451 324 T N -0.346 114.296 114.554 0.148 0.000 2.867 324 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 324 T C 1.825 176.673 174.700 0.246 0.000 1.057 324 T CA 1.712 63.911 62.100 0.164 0.000 1.136 324 T CB -0.459 68.460 68.868 0.085 0.000 0.874 324 T HN 0.598 nan 8.240 nan 0.000 0.466 325 T N 1.655 116.298 114.554 0.148 0.000 2.995 325 T HA 0.041 4.391 4.350 -0.000 0.000 0.269 325 T C 1.430 176.279 174.700 0.248 0.000 1.091 325 T CA 0.529 62.706 62.100 0.129 0.000 1.128 325 T CB -0.449 68.413 68.868 -0.010 0.000 0.891 325 T HN 0.284 nan 8.240 nan 0.000 0.492 326 F N 1.987 122.098 119.950 0.268 0.000 2.161 326 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 326 F C 2.521 178.381 175.800 0.100 0.000 1.089 326 F CA 0.723 58.799 58.000 0.127 0.000 1.282 326 F CB -0.594 38.367 39.000 -0.064 0.000 1.010 326 F HN 0.166 nan 8.300 nan 0.000 0.485 327 A N -1.954 121.024 122.820 0.265 0.000 2.238 327 A HA -0.038 4.282 4.320 -0.000 0.000 0.208 327 A C 1.353 178.904 177.584 -0.054 0.000 1.177 327 A CA 0.495 52.575 52.037 0.072 0.000 0.804 327 A CB -0.922 18.072 19.000 -0.009 0.000 0.823 327 A HN 0.451 nan 8.150 nan 0.000 0.482 328 H N -0.943 118.180 119.070 0.088 0.000 2.517 328 H HA 0.403 4.959 4.556 -0.000 0.000 0.282 328 H C -0.771 174.578 175.328 0.034 0.000 1.023 328 H CA 0.293 56.368 56.048 0.046 0.000 1.169 328 H CB 0.175 29.949 29.762 0.021 0.000 1.454 328 H HN 0.305 nan 8.280 nan 0.000 0.556 329 L N 0.160 121.469 121.223 0.143 0.000 2.445 329 L HA 0.195 4.535 4.340 -0.000 0.000 0.262 329 L C 0.505 177.429 176.870 0.090 0.000 0.974 329 L CA -0.676 54.227 54.840 0.105 0.000 0.822 329 L CB 2.683 44.822 42.059 0.133 0.000 1.339 329 L HN -0.119 nan 8.230 nan 0.000 0.409 330 D N 1.480 121.914 120.400 0.057 0.000 2.137 330 D HA 0.045 4.685 4.640 -0.000 0.000 0.202 330 D C 0.522 176.876 176.300 0.089 0.000 0.970 330 D CA 1.029 55.066 54.000 0.060 0.000 0.837 330 D CB 0.474 41.299 40.800 0.042 0.000 0.981 330 D HN 0.507 nan 8.370 nan 0.000 0.475 331 A N 0.689 123.563 122.820 0.090 0.000 2.335 331 A HA 0.529 4.849 4.320 -0.000 0.000 0.304 331 A C -0.403 177.271 177.584 0.151 0.000 1.118 331 A CA -0.593 51.535 52.037 0.152 0.000 0.757 331 A CB 1.157 20.304 19.000 0.246 0.000 1.188 331 A HN 0.016 nan 8.150 nan 0.000 0.460 332 T N -0.023 114.662 114.554 0.219 0.000 2.934 332 T HA 0.560 4.910 4.350 -0.000 0.000 0.328 332 T C -0.209 174.652 174.700 0.269 0.000 1.068 332 T CA -0.316 61.960 62.100 0.294 0.000 1.018 332 T CB 0.331 69.429 68.868 0.382 0.000 1.009 332 T HN 0.848 nan 8.240 nan 0.000 0.471 333 T N 0.770 115.476 114.554 0.255 0.000 2.738 333 T HA 0.546 4.896 4.350 -0.000 0.000 0.298 333 T C 0.108 174.882 174.700 0.124 0.000 0.962 333 T CA -0.748 61.451 62.100 0.165 0.000 0.972 333 T CB 0.694 69.649 68.868 0.144 0.000 0.928 333 T HN 0.505 nan 8.240 nan 0.000 0.474 334 V N 5.701 125.686 119.914 0.118 0.000 2.364 334 V HA 0.309 4.429 4.120 -0.000 0.000 0.272 334 V C 0.555 176.677 176.094 0.046 0.000 1.036 334 V CA -0.833 61.540 62.300 0.122 0.000 0.880 334 V CB 0.315 32.188 31.823 0.084 0.000 0.991 334 V HN 0.827 nan 8.190 nan 0.000 0.460 335 L N 3.667 124.909 121.223 0.031 0.000 2.475 335 L HA 0.618 4.958 4.340 -0.000 0.000 0.253 335 L C 0.533 177.414 176.870 0.020 0.000 1.198 335 L CA 0.228 55.080 54.840 0.021 0.000 0.814 335 L CB 1.282 43.356 42.059 0.025 0.000 1.134 335 L HN 0.765 nan 8.230 nan 0.000 0.478 336 S N -0.486 115.220 115.700 0.011 0.000 2.566 336 S HA 0.306 4.776 4.470 -0.000 0.000 0.273 336 S C 0.212 174.803 174.600 -0.015 0.000 1.157 336 S CA -0.849 57.346 58.200 -0.008 0.000 0.938 336 S CB 1.716 64.907 63.200 -0.015 0.000 1.087 336 S HN 0.670 nan 8.310 nan 0.000 0.474 337 R N 2.812 123.301 120.500 -0.018 0.000 2.115 337 R HA 0.028 4.368 4.340 -0.000 0.000 0.230 337 R C 2.051 178.333 176.300 -0.030 0.000 1.111 337 R CA 1.853 57.943 56.100 -0.017 0.000 0.976 337 R CB -0.940 29.352 30.300 -0.014 0.000 0.870 337 R HN 0.847 nan 8.270 nan 0.000 0.445 338 G N 1.069 109.850 108.800 -0.032 0.000 2.442 338 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 338 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 338 G C 1.397 176.269 174.900 -0.046 0.000 1.141 338 G CA 0.741 45.820 45.100 -0.035 0.000 0.763 338 G HN 0.245 nan 8.290 nan 0.000 0.554 339 I N 1.476 122.013 120.570 -0.055 0.000 2.339 339 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 339 I C 3.159 179.174 176.117 -0.169 0.000 1.096 339 I CA 1.368 62.621 61.300 -0.079 0.000 1.408 339 I CB -0.659 37.307 38.000 -0.056 0.000 1.092 339 I HN 0.342 nan 8.210 nan 0.000 0.423 340 S N 0.846 116.426 115.700 -0.199 0.000 2.400 340 S HA -0.230 4.240 4.470 -0.000 0.000 0.232 340 S C 1.694 176.137 174.600 -0.262 0.000 1.025 340 S CA 1.410 59.382 58.200 -0.380 0.000 0.993 340 S CB -0.550 62.593 63.200 -0.095 0.000 0.808 340 S HN 0.489 nan 8.310 nan 0.000 0.478 341 E N 0.720 120.852 120.200 -0.114 0.000 2.358 341 E HA 0.158 4.508 4.350 -0.000 0.000 0.195 341 E C 1.296 177.863 176.600 -0.055 0.000 1.010 341 E CA 0.517 56.885 56.400 -0.053 0.000 0.856 341 E CB -0.175 29.510 29.700 -0.025 0.000 0.795 341 E HN 0.579 nan 8.360 nan 0.000 0.504 342 L N -0.409 120.766 121.223 -0.079 0.000 2.627 342 L HA 0.192 4.532 4.340 -0.000 0.000 0.232 342 L C 1.320 178.152 176.870 -0.064 0.000 1.150 342 L CA 0.279 55.086 54.840 -0.056 0.000 0.917 342 L CB -0.119 41.920 42.059 -0.033 0.000 1.104 342 L HN 0.250 nan 8.230 nan 0.000 0.445 343 G N 0.404 109.143 108.800 -0.101 0.000 2.184 343 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 343 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 343 G C 0.345 175.232 174.900 -0.021 0.000 0.975 343 G CA -0.201 44.886 45.100 -0.023 0.000 0.642 343 G HN 0.209 nan 8.290 nan 0.000 0.536 344 I N 0.590 121.061 120.570 -0.165 0.000 2.471 344 I HA 0.524 4.694 4.170 -0.000 0.000 0.286 344 I C 0.047 175.932 176.117 -0.388 0.000 1.079 344 I CA -0.649 60.596 61.300 -0.092 0.000 1.398 344 I CB -0.127 37.856 38.000 -0.027 0.000 1.403 344 I HN 0.054 nan 8.210 nan 0.000 0.530 345 Y N 6.032 126.330 120.300 -0.002 0.000 2.504 345 Y HA 0.395 4.945 4.550 -0.000 0.000 0.344 345 Y C -2.251 173.500 175.900 -0.248 0.000 1.023 345 Y CA -2.527 55.507 58.100 -0.109 0.000 1.020 345 Y CB 2.086 40.465 38.460 -0.134 0.000 1.282 345 Y HN 0.415 nan 8.280 nan 0.000 0.454 346 P HA 0.073 nan 4.420 nan 0.000 0.268 346 P C -0.248 177.141 177.300 0.149 0.000 1.205 346 P CA -0.002 63.150 63.100 0.087 0.000 0.771 346 P CB 0.891 32.730 31.700 0.232 0.000 0.858 347 A N 3.787 126.720 122.820 0.188 0.000 2.711 347 A HA 0.177 4.497 4.320 -0.000 0.000 0.242 347 A C 0.551 178.161 177.584 0.044 0.000 1.607 347 A CA -0.192 51.861 52.037 0.026 0.000 1.370 347 A CB -1.273 17.729 19.000 0.003 0.000 0.934 347 A HN 0.378 nan 8.150 nan 0.000 0.628 348 V N 0.888 120.844 119.914 0.070 0.000 2.583 348 V HA 0.070 4.190 4.120 -0.000 0.000 0.287 348 V C 0.385 176.498 176.094 0.032 0.000 1.051 348 V CA -0.607 61.730 62.300 0.060 0.000 1.010 348 V CB 1.237 33.124 31.823 0.107 0.000 0.988 348 V HN 0.542 nan 8.190 nan 0.000 0.478 349 D N 6.556 126.967 120.400 0.018 0.000 2.338 349 D HA 0.207 4.847 4.640 -0.000 0.000 0.255 349 D C -1.604 174.698 176.300 0.002 0.000 1.237 349 D CA -1.878 52.124 54.000 0.003 0.000 0.883 349 D CB 1.951 42.745 40.800 -0.010 0.000 1.087 349 D HN 0.248 nan 8.370 nan 0.000 0.485 350 P HA -0.048 nan 4.420 nan 0.000 0.219 350 P C 1.484 178.768 177.300 -0.027 0.000 1.150 350 P CA 0.745 63.837 63.100 -0.013 0.000 0.814 350 P CB 0.409 32.103 31.700 -0.011 0.000 0.787 351 L N -0.860 120.347 121.223 -0.027 0.000 2.049 351 L HA -0.047 4.293 4.340 -0.000 0.000 0.203 351 L C 2.245 179.083 176.870 -0.054 0.000 1.074 351 L CA 1.401 56.217 54.840 -0.041 0.000 0.749 351 L CB -1.078 40.957 42.059 -0.039 0.000 0.907 351 L HN -0.121 nan 8.230 nan 0.000 0.439 352 D N -0.083 120.283 120.400 -0.057 0.000 2.269 352 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 352 D C 0.597 176.855 176.300 -0.070 0.000 0.963 352 D CA 0.365 54.314 54.000 -0.086 0.000 0.864 352 D CB 0.164 40.910 40.800 -0.091 0.000 0.936 352 D HN 0.102 nan 8.370 nan 0.000 0.505 353 S N 0.572 116.260 115.700 -0.021 0.000 2.528 353 S HA 0.302 4.772 4.470 -0.000 0.000 0.277 353 S C 0.269 174.882 174.600 0.021 0.000 1.297 353 S CA -0.229 57.986 58.200 0.025 0.000 1.052 353 S CB 1.810 65.041 63.200 0.052 0.000 0.917 353 S HN 0.035 nan 8.310 nan 0.000 0.492 354 K N 0.908 121.340 120.400 0.054 0.000 2.495 354 K HA 0.672 4.992 4.320 -0.000 0.000 0.268 354 K C -0.859 175.801 176.600 0.099 0.000 1.008 354 K CA -0.718 55.597 56.287 0.046 0.000 0.882 354 K CB 2.177 34.681 32.500 0.006 0.000 1.443 354 K HN 0.741 nan 8.250 nan 0.000 0.447 355 S N -0.496 115.252 115.700 0.080 0.000 2.596 355 S HA 0.394 4.864 4.470 -0.000 0.000 0.270 355 S C 0.330 174.972 174.600 0.070 0.000 1.155 355 S CA -0.886 57.375 58.200 0.102 0.000 0.827 355 S CB 2.190 65.472 63.200 0.137 0.000 1.130 355 S HN 0.647 nan 8.310 nan 0.000 0.467 356 R N -0.059 120.483 120.500 0.070 0.000 2.090 356 R HA 0.141 4.481 4.340 -0.000 0.000 0.228 356 R C 1.647 177.978 176.300 0.052 0.000 1.110 356 R CA 1.090 57.222 56.100 0.055 0.000 0.973 356 R CB -0.739 29.590 30.300 0.048 0.000 0.869 356 R HN 0.730 nan 8.270 nan 0.000 0.440 357 L N 1.019 122.273 121.223 0.052 0.000 2.450 357 L HA -0.110 4.230 4.340 -0.000 0.000 0.224 357 L C 0.817 177.695 176.870 0.012 0.000 1.149 357 L CA 0.128 54.987 54.840 0.033 0.000 0.816 357 L CB -0.300 41.781 42.059 0.036 0.000 0.932 357 L HN 0.086 nan 8.230 nan 0.000 0.449 358 L N 1.412 122.649 121.223 0.024 0.000 2.505 358 L HA 0.142 4.482 4.340 -0.000 0.000 0.279 358 L C -0.546 176.448 176.870 0.206 0.000 1.211 358 L CA 0.670 55.527 54.840 0.027 0.000 1.059 358 L CB -0.489 41.549 42.059 -0.035 0.000 1.340 358 L HN -0.006 nan 8.230 nan 0.000 0.447 359 D N 1.907 122.429 120.400 0.203 0.000 2.859 359 D HA 0.436 5.076 4.640 -0.000 0.000 0.223 359 D C 0.628 176.956 176.300 0.045 0.000 1.218 359 D CA 0.099 54.189 54.000 0.150 0.000 0.850 359 D CB 2.043 42.866 40.800 0.039 0.000 1.656 359 D HN 0.277 nan 8.370 nan 0.000 0.484 360 A N 2.513 125.205 122.820 -0.212 0.000 1.978 360 A HA 0.077 4.397 4.320 -0.000 0.000 0.220 360 A C 1.716 179.255 177.584 -0.075 0.000 1.170 360 A CA 1.959 53.882 52.037 -0.190 0.000 0.636 360 A CB -0.460 18.322 19.000 -0.363 0.000 0.810 360 A HN 0.591 nan 8.150 nan 0.000 0.448 361 A N -1.267 121.511 122.820 -0.070 0.000 2.337 361 A HA 0.469 4.789 4.320 -0.000 0.000 0.227 361 A C 1.302 178.876 177.584 -0.017 0.000 1.259 361 A CA 0.859 52.874 52.037 -0.037 0.000 0.870 361 A CB -0.003 18.974 19.000 -0.040 0.000 0.927 361 A HN 0.373 nan 8.150 nan 0.000 0.497 362 V N -1.426 118.481 119.914 -0.011 0.000 3.431 362 V HA -0.003 4.117 4.120 -0.000 0.000 0.255 362 V C 1.714 177.797 176.094 -0.017 0.000 1.403 362 V CA 1.149 63.445 62.300 -0.008 0.000 1.101 362 V CB 0.931 32.751 31.823 -0.005 0.000 0.891 362 V HN 0.481 nan 8.190 nan 0.000 0.446 363 V N -2.520 117.380 119.914 -0.023 0.000 3.562 363 V HA 0.820 4.940 4.120 -0.000 0.000 0.270 363 V C 0.774 176.908 176.094 0.067 0.000 1.418 363 V CA 0.321 62.590 62.300 -0.052 0.000 1.033 363 V CB 0.075 31.678 31.823 -0.367 0.000 0.820 363 V HN 0.897 nan 8.190 nan 0.000 0.441 364 G N 0.815 109.654 108.800 0.066 0.000 2.785 364 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 364 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 364 G C -0.040 174.934 174.900 0.124 0.000 1.155 364 G CA 0.108 45.259 45.100 0.084 0.000 0.760 364 G HN 0.173 nan 8.290 nan 0.000 0.624 365 Q N 0.283 120.135 119.800 0.087 0.000 2.173 365 Q HA -0.161 4.179 4.340 -0.000 0.000 0.208 365 Q C 2.293 178.386 176.000 0.155 0.000 0.989 365 Q CA 2.177 58.042 55.803 0.104 0.000 0.872 365 Q CB -0.053 28.719 28.738 0.057 0.000 0.909 365 Q HN 0.881 nan 8.270 nan 0.000 0.420 366 E N -0.674 119.607 120.200 0.135 0.000 2.150 366 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 366 E C 1.833 178.534 176.600 0.167 0.000 0.985 366 E CA 0.626 57.104 56.400 0.129 0.000 0.814 366 E CB 0.011 29.769 29.700 0.096 0.000 0.752 366 E HN 0.520 nan 8.360 nan 0.000 0.466 367 H N -1.627 117.495 119.070 0.087 0.000 2.403 367 H HA -0.107 4.449 4.556 -0.000 0.000 0.298 367 H C 1.905 177.275 175.328 0.070 0.000 1.059 367 H CA 1.104 57.192 56.048 0.066 0.000 1.363 367 H CB 0.145 29.942 29.762 0.059 0.000 1.410 367 H HN 0.166 nan 8.280 nan 0.000 0.528 368 Y N 1.235 121.636 120.300 0.169 0.000 2.163 368 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 368 Y C 1.709 177.654 175.900 0.074 0.000 1.136 368 Y CA 1.804 59.953 58.100 0.082 0.000 1.147 368 Y CB 0.018 38.495 38.460 0.029 0.000 0.987 368 Y HN 0.290 nan 8.280 nan 0.000 0.509 369 D N -0.837 119.730 120.400 0.278 0.000 2.264 369 D HA -0.149 4.491 4.640 -0.000 0.000 0.208 369 D C 2.255 178.610 176.300 0.091 0.000 0.966 369 D CA 0.940 55.047 54.000 0.180 0.000 0.864 369 D CB -0.260 40.634 40.800 0.156 0.000 0.933 369 D HN 0.261 nan 8.370 nan 0.000 0.499 370 V N 0.850 120.815 119.914 0.085 0.000 2.323 370 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 370 V C 2.392 178.485 176.094 -0.002 0.000 1.041 370 V CA 1.733 64.064 62.300 0.052 0.000 1.025 370 V CB -0.580 31.270 31.823 0.045 0.000 0.656 370 V HN 0.211 nan 8.190 nan 0.000 0.451 371 A N -0.946 121.852 122.820 -0.036 0.000 1.902 371 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 371 A C 2.477 179.975 177.584 -0.144 0.000 1.181 371 A CA 2.260 54.228 52.037 -0.114 0.000 0.623 371 A CB -0.706 18.212 19.000 -0.136 0.000 0.818 371 A HN 0.483 nan 8.150 nan 0.000 0.443 372 S N -0.682 114.915 115.700 -0.173 0.000 2.402 372 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 372 S C 1.924 176.502 174.600 -0.037 0.000 1.021 372 S CA 1.602 59.725 58.200 -0.128 0.000 0.974 372 S CB -0.158 62.997 63.200 -0.076 0.000 0.800 372 S HN 0.621 nan 8.310 nan 0.000 0.484 373 K N 0.355 120.751 120.400 -0.006 0.000 2.243 373 K HA 0.108 4.428 4.320 -0.000 0.000 0.201 373 K C 1.859 178.469 176.600 0.016 0.000 1.051 373 K CA 0.415 56.713 56.287 0.018 0.000 0.970 373 K CB -0.020 32.504 32.500 0.040 0.000 0.755 373 K HN 0.115 nan 8.250 nan 0.000 0.465 374 V N 1.817 121.731 119.914 0.000 0.000 2.358 374 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 374 V C 2.166 178.255 176.094 -0.008 0.000 1.047 374 V CA 1.691 63.992 62.300 0.003 0.000 1.035 374 V CB -0.344 31.448 31.823 -0.051 0.000 0.658 374 V HN 0.357 nan 8.190 nan 0.000 0.452 375 Q N -0.463 119.316 119.800 -0.035 0.000 2.016 375 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 375 Q C 2.308 178.305 176.000 -0.005 0.000 0.978 375 Q CA 1.670 57.455 55.803 -0.030 0.000 0.833 375 Q CB -0.258 28.446 28.738 -0.057 0.000 0.895 375 Q HN 0.662 nan 8.270 nan 0.000 0.427 376 E N 0.010 120.208 120.200 -0.002 0.000 2.108 376 E HA -0.223 4.127 4.350 -0.000 0.000 0.203 376 E C 2.024 178.640 176.600 0.027 0.000 1.022 376 E CA 1.808 58.216 56.400 0.012 0.000 0.823 376 E CB -0.019 29.691 29.700 0.016 0.000 0.744 376 E HN 0.346 nan 8.360 nan 0.000 0.456 377 T N 1.154 115.727 114.554 0.032 0.000 2.701 377 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 377 T C 1.964 176.710 174.700 0.077 0.000 1.040 377 T CA 0.785 62.912 62.100 0.046 0.000 1.147 377 T CB -0.207 68.683 68.868 0.038 0.000 0.865 377 T HN 0.096 nan 8.240 nan 0.000 0.426 378 L N 0.849 122.115 121.223 0.073 0.000 2.131 378 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 378 L C 2.813 179.744 176.870 0.103 0.000 1.092 378 L CA 1.084 55.992 54.840 0.114 0.000 0.759 378 L CB -0.363 41.742 42.059 0.076 0.000 0.903 378 L HN 0.261 nan 8.230 nan 0.000 0.435 379 Q N -0.268 119.563 119.800 0.052 0.000 2.049 379 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 379 Q C 2.028 178.044 176.000 0.027 0.000 0.971 379 Q CA 2.259 58.074 55.803 0.020 0.000 0.833 379 Q CB -0.307 28.433 28.738 0.002 0.000 0.896 379 Q HN 0.294 nan 8.270 nan 0.000 0.434 380 T N 0.285 114.870 114.554 0.051 0.000 2.720 380 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 380 T C 1.293 176.050 174.700 0.095 0.000 1.037 380 T CA 1.526 63.660 62.100 0.057 0.000 1.144 380 T CB -0.638 68.265 68.868 0.057 0.000 0.864 380 T HN 0.431 nan 8.240 nan 0.000 0.444 381 Y N 2.034 122.329 120.300 -0.008 0.000 2.181 381 Y HA -0.027 4.523 4.550 -0.000 0.000 0.288 381 Y C 2.352 178.246 175.900 -0.010 0.000 1.146 381 Y CA 1.131 59.226 58.100 -0.008 0.000 1.164 381 Y CB -0.336 38.119 38.460 -0.008 0.000 0.982 381 Y HN 0.027 nan 8.280 nan 0.000 0.515 382 K N -0.682 119.610 120.400 -0.180 0.000 2.209 382 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 382 K C 2.168 178.661 176.600 -0.178 0.000 1.048 382 K CA 1.291 57.424 56.287 -0.257 0.000 0.940 382 K CB -0.159 32.264 32.500 -0.129 0.000 0.729 382 K HN 0.247 nan 8.250 nan 0.000 0.451 383 S N 0.681 116.323 115.700 -0.097 0.000 2.453 383 S HA 0.049 4.519 4.470 -0.000 0.000 0.231 383 S C 1.490 176.052 174.600 -0.063 0.000 1.005 383 S CA 0.535 58.697 58.200 -0.064 0.000 0.949 383 S CB 0.092 63.275 63.200 -0.028 0.000 0.774 383 S HN 0.259 nan 8.310 nan 0.000 0.510 384 L N 0.814 121.994 121.223 -0.073 0.000 2.529 384 L HA 0.082 4.422 4.340 -0.000 0.000 0.223 384 L C 2.303 179.123 176.870 -0.083 0.000 1.113 384 L CA 0.073 54.888 54.840 -0.042 0.000 0.861 384 L CB -0.317 41.761 42.059 0.032 0.000 1.012 384 L HN 0.140 nan 8.230 nan 0.000 0.461 385 Q N 0.892 120.583 119.800 -0.182 0.000 2.028 385 Q HA -0.314 4.026 4.340 -0.000 0.000 0.215 385 Q C 1.629 177.573 176.000 -0.094 0.000 1.041 385 Q CA 2.430 58.119 55.803 -0.191 0.000 0.897 385 Q CB -0.486 28.128 28.738 -0.206 0.000 1.017 385 Q HN 0.512 nan 8.270 nan 0.000 0.418 386 D N -0.143 120.214 120.400 -0.072 0.000 2.097 386 D HA -0.080 4.560 4.640 -0.000 0.000 0.195 386 D C 2.160 178.443 176.300 -0.028 0.000 0.989 386 D CA 0.788 54.761 54.000 -0.044 0.000 0.827 386 D CB -0.417 40.360 40.800 -0.039 0.000 0.966 386 D HN 0.277 nan 8.370 nan 0.000 0.456 387 I N 1.022 121.578 120.570 -0.024 0.000 2.194 387 I HA -0.259 3.911 4.170 -0.000 0.000 0.246 387 I C 2.174 178.291 176.117 -0.001 0.000 1.093 387 I CA 0.589 61.884 61.300 -0.009 0.000 1.355 387 I CB -0.182 37.815 38.000 -0.005 0.000 1.046 387 I HN -0.005 nan 8.210 nan 0.000 0.413 388 I N 1.165 121.736 120.570 0.002 0.000 2.127 388 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 388 I C 2.837 178.962 176.117 0.013 0.000 1.075 388 I CA 1.968 63.281 61.300 0.021 0.000 1.334 388 I CB -1.778 36.248 38.000 0.043 0.000 1.040 388 I HN 0.207 nan 8.210 nan 0.000 0.405 389 A N 0.747 123.567 122.820 -0.001 0.000 1.972 389 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 389 A C 2.184 179.768 177.584 -0.001 0.000 1.169 389 A CA 1.089 53.125 52.037 -0.002 0.000 0.635 389 A CB -0.393 18.600 19.000 -0.012 0.000 0.810 389 A HN 0.265 nan 8.150 nan 0.000 0.446 390 I N -0.232 120.336 120.570 -0.003 0.000 2.186 390 I HA -0.119 4.051 4.170 -0.000 0.000 0.228 390 I C 2.373 178.492 176.117 0.002 0.000 1.062 390 I CA 1.156 62.455 61.300 -0.002 0.000 1.347 390 I CB -1.612 36.386 38.000 -0.004 0.000 1.122 390 I HN 0.244 nan 8.210 nan 0.000 0.402 391 L N 0.012 121.237 121.223 0.004 0.000 2.313 391 L HA 0.227 4.567 4.340 -0.000 0.000 0.214 391 L C 1.149 178.024 176.870 0.009 0.000 1.119 391 L CA 0.512 55.355 54.840 0.006 0.000 0.809 391 L CB -0.852 41.211 42.059 0.006 0.000 0.933 391 L HN 0.608 nan 8.230 nan 0.000 0.449 392 G N -0.655 108.152 108.800 0.012 0.000 2.757 392 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.638 392 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.638 392 G C 0.235 175.148 174.900 0.021 0.000 1.344 392 G CA -0.243 44.867 45.100 0.017 0.000 0.855 392 G HN -0.122 nan 8.290 nan 0.000 0.537 393 M N 0.227 119.842 119.600 0.024 0.000 2.374 393 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 393 M C 2.011 178.321 176.300 0.017 0.000 1.067 393 M CA 1.794 57.109 55.300 0.025 0.000 1.103 393 M CB -1.189 31.425 32.600 0.023 0.000 1.402 393 M HN 0.628 nan 8.290 nan 0.000 0.444 394 D N 0.951 121.359 120.400 0.013 0.000 2.133 394 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 394 D C 1.176 177.482 176.300 0.009 0.000 0.997 394 D CA 1.215 55.221 54.000 0.010 0.000 0.840 394 D CB -0.083 40.722 40.800 0.008 0.000 0.947 394 D HN 0.378 nan 8.370 nan 0.000 0.452 395 E N 0.175 120.381 120.200 0.011 0.000 2.368 395 E HA 0.152 4.502 4.350 -0.000 0.000 0.188 395 E C 0.521 177.128 176.600 0.012 0.000 1.061 395 E CA -0.167 56.239 56.400 0.010 0.000 0.933 395 E CB 0.249 29.954 29.700 0.008 0.000 1.091 395 E HN 0.352 nan 8.360 nan 0.000 0.458 396 L N 1.464 122.695 121.223 0.014 0.000 2.379 396 L HA 0.175 4.515 4.340 -0.000 0.000 0.269 396 L C 0.938 177.816 176.870 0.013 0.000 1.084 396 L CA -0.543 54.307 54.840 0.017 0.000 0.802 396 L CB 1.057 43.130 42.059 0.024 0.000 1.175 396 L HN 0.015 nan 8.230 nan 0.000 0.448 397 S N 0.542 116.250 115.700 0.013 0.000 2.600 397 S HA 0.092 4.562 4.470 -0.000 0.000 0.265 397 S C 0.834 175.440 174.600 0.010 0.000 1.325 397 S CA -0.737 57.469 58.200 0.011 0.000 1.002 397 S CB 1.165 64.371 63.200 0.011 0.000 0.921 397 S HN 0.561 nan 8.310 nan 0.000 0.554 398 E N 0.789 120.994 120.200 0.008 0.000 2.058 398 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 398 E C 2.055 178.659 176.600 0.006 0.000 0.997 398 E CA 1.512 57.915 56.400 0.006 0.000 0.801 398 E CB -0.534 29.169 29.700 0.004 0.000 0.746 398 E HN 0.882 nan 8.360 nan 0.000 0.450 399 Q N 0.432 120.237 119.800 0.008 0.000 2.135 399 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 399 Q C 1.283 177.289 176.000 0.011 0.000 0.981 399 Q CA 1.630 57.438 55.803 0.009 0.000 0.856 399 Q CB 0.098 28.843 28.738 0.011 0.000 0.902 399 Q HN 0.105 nan 8.270 nan 0.000 0.425 400 D N -0.211 120.198 120.400 0.015 0.000 2.194 400 D HA -0.064 4.576 4.640 -0.000 0.000 0.204 400 D C 1.543 177.855 176.300 0.020 0.000 0.964 400 D CA 0.752 54.766 54.000 0.023 0.000 0.846 400 D CB 0.048 40.866 40.800 0.030 0.000 0.962 400 D HN 0.141 nan 8.370 nan 0.000 0.490 401 K N 0.051 120.458 120.400 0.012 0.000 2.097 401 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 401 K C 1.956 178.550 176.600 -0.011 0.000 1.049 401 K CA 0.576 56.865 56.287 0.004 0.000 0.933 401 K CB -0.075 32.427 32.500 0.003 0.000 0.717 401 K HN 0.008 nan 8.250 nan 0.000 0.442 402 L N 0.602 121.820 121.223 -0.009 0.000 1.988 402 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 402 L C 1.965 178.818 176.870 -0.028 0.000 1.071 402 L CA 2.032 56.862 54.840 -0.017 0.000 0.744 402 L CB -0.854 41.201 42.059 -0.007 0.000 0.893 402 L HN 0.173 nan 8.230 nan 0.000 0.433 403 T N -1.086 113.461 114.554 -0.012 0.000 2.699 403 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 403 T C 1.953 176.626 174.700 -0.045 0.000 1.036 403 T CA 1.737 63.830 62.100 -0.011 0.000 1.147 403 T CB -0.661 68.219 68.868 0.019 0.000 0.862 403 T HN 0.206 nan 8.240 nan 0.000 0.446 404 V N 1.498 121.387 119.914 -0.042 0.000 2.261 404 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 404 V C 2.564 178.492 176.094 -0.278 0.000 1.047 404 V CA 1.813 64.030 62.300 -0.138 0.000 1.015 404 V CB -0.632 31.184 31.823 -0.012 0.000 0.642 404 V HN 0.525 nan 8.190 nan 0.000 0.446 405 E N -0.530 119.573 120.200 -0.162 0.000 2.160 405 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 405 E C 2.430 178.921 176.600 -0.182 0.000 0.991 405 E CA 1.215 57.522 56.400 -0.156 0.000 0.810 405 E CB -0.146 29.504 29.700 -0.084 0.000 0.742 405 E HN 0.411 nan 8.360 nan 0.000 0.466 406 R N 0.158 120.564 120.500 -0.156 0.000 2.073 406 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 406 R C 2.221 178.408 176.300 -0.189 0.000 1.120 406 R CA 1.041 57.048 56.100 -0.155 0.000 0.967 406 R CB -0.070 30.181 30.300 -0.082 0.000 0.862 406 R HN 0.118 nan 8.270 nan 0.000 0.436 407 A N 1.028 123.728 122.820 -0.200 0.000 1.873 407 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 407 A C 2.050 179.463 177.584 -0.284 0.000 1.186 407 A CA 1.205 53.123 52.037 -0.198 0.000 0.616 407 A CB -0.406 18.481 19.000 -0.189 0.000 0.823 407 A HN 0.296 nan 8.150 nan 0.000 0.442 408 R N -0.307 119.913 120.500 -0.467 0.000 2.159 408 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 408 R C 2.041 178.211 176.300 -0.216 0.000 1.131 408 R CA 1.613 57.492 56.100 -0.367 0.000 0.982 408 R CB -0.213 29.865 30.300 -0.370 0.000 0.868 408 R HN 0.537 nan 8.270 nan 0.000 0.453 409 K N 0.487 120.707 120.400 -0.301 0.000 2.005 409 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 409 K C 2.066 178.453 176.600 -0.355 0.000 1.044 409 K CA 0.928 56.905 56.287 -0.516 0.000 0.942 409 K CB -0.093 31.848 32.500 -0.931 0.000 0.727 409 K HN 0.017 nan 8.250 nan 0.000 0.439 410 I N 1.676 122.134 120.570 -0.187 0.000 2.113 410 I HA -0.420 3.750 4.170 -0.000 0.000 0.242 410 I C 2.821 179.074 176.117 0.227 0.000 1.064 410 I CA 1.538 62.925 61.300 0.145 0.000 1.320 410 I CB -0.337 37.764 38.000 0.168 0.000 1.028 410 I HN 0.353 nan 8.210 nan 0.000 0.406 411 Q N 0.615 120.477 119.800 0.103 0.000 2.045 411 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 411 Q C 2.425 178.526 176.000 0.167 0.000 0.991 411 Q CA 1.914 57.791 55.803 0.124 0.000 0.851 411 Q CB -0.045 28.750 28.738 0.095 0.000 0.911 411 Q HN 0.386 nan 8.270 nan 0.000 0.418 412 R N -0.778 119.819 120.500 0.162 0.000 2.075 412 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 412 R C 2.173 178.686 176.300 0.356 0.000 1.126 412 R CA 1.238 57.494 56.100 0.261 0.000 0.963 412 R CB -0.264 30.188 30.300 0.252 0.000 0.858 412 R HN 0.253 nan 8.270 nan 0.000 0.435 413 F N 1.180 121.218 119.950 0.147 0.000 2.216 413 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 413 F C 1.588 177.558 175.800 0.283 0.000 1.085 413 F CA 1.203 59.300 58.000 0.162 0.000 1.326 413 F CB -0.290 38.678 39.000 -0.053 0.000 1.027 413 F HN -0.022 nan 8.300 nan 0.000 0.497 414 L N -0.230 121.232 121.223 0.398 0.000 2.456 414 L HA -0.086 4.254 4.340 -0.000 0.000 0.224 414 L C 1.500 178.444 176.870 0.122 0.000 1.148 414 L CA 0.513 55.491 54.840 0.229 0.000 0.825 414 L CB -0.845 41.297 42.059 0.139 0.000 0.937 414 L HN 0.124 nan 8.230 nan 0.000 0.450 415 S N -0.426 115.350 115.700 0.128 0.000 2.600 415 S HA 0.324 4.794 4.470 -0.000 0.000 0.265 415 S C -0.293 174.304 174.600 -0.005 0.000 1.325 415 S CA -0.439 57.786 58.200 0.042 0.000 1.002 415 S CB 1.806 65.024 63.200 0.030 0.000 0.921 415 S HN 0.287 nan 8.310 nan 0.000 0.554 416 Q N 0.341 120.095 119.800 -0.077 0.000 2.438 416 Q HA 0.395 4.735 4.340 -0.000 0.000 0.272 416 Q C -3.147 172.812 176.000 -0.067 0.000 0.994 416 Q CA -1.809 53.972 55.803 -0.037 0.000 0.887 416 Q CB 2.113 30.896 28.738 0.076 0.000 1.432 416 Q HN 0.481 nan 8.270 nan 0.000 0.392 417 P HA 0.238 nan 4.420 nan 0.000 0.271 417 P C -1.260 176.243 177.300 0.339 0.000 1.216 417 P CA 0.024 63.175 63.100 0.084 0.000 0.776 417 P CB 0.311 32.039 31.700 0.048 0.000 0.881 418 F N 0.903 120.847 119.950 -0.010 0.000 2.507 418 F HA 0.456 4.983 4.527 -0.000 0.000 0.325 418 F C 1.358 177.146 175.800 -0.021 0.000 1.116 418 F CA -1.514 56.473 58.000 -0.022 0.000 0.930 418 F CB 1.106 40.098 39.000 -0.014 0.000 1.146 418 F HN 0.342 nan 8.300 nan 0.000 0.447 419 A N 2.773 125.618 122.820 0.041 0.000 1.927 419 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 419 A C 1.604 179.189 177.584 0.001 0.000 1.185 419 A CA 2.444 54.473 52.037 -0.013 0.000 0.639 419 A CB -0.764 18.188 19.000 -0.080 0.000 0.820 419 A HN 0.506 nan 8.150 nan 0.000 0.451 420 V N -1.686 118.243 119.914 0.025 0.000 3.647 420 V HA 0.297 4.417 4.120 -0.000 0.000 0.279 420 V C 1.863 178.013 176.094 0.094 0.000 1.314 420 V CA 0.889 63.208 62.300 0.032 0.000 1.125 420 V CB -0.336 31.502 31.823 0.025 0.000 0.907 420 V HN 0.575 nan 8.190 nan 0.000 0.434 421 A N 0.592 123.506 122.820 0.157 0.000 2.390 421 A HA 0.188 4.508 4.320 -0.000 0.000 0.232 421 A C 1.883 179.496 177.584 0.048 0.000 1.233 421 A CA 0.470 52.648 52.037 0.236 0.000 0.907 421 A CB -0.073 19.122 19.000 0.325 0.000 0.967 421 A HN 0.637 nan 8.150 nan 0.000 0.512 422 E N 0.287 120.476 120.200 -0.017 0.000 2.197 422 E HA -0.268 4.082 4.350 -0.000 0.000 0.205 422 E C 1.251 177.775 176.600 -0.127 0.000 1.029 422 E CA 2.092 58.462 56.400 -0.051 0.000 0.828 422 E CB -0.925 28.740 29.700 -0.058 0.000 0.737 422 E HN 0.314 nan 8.360 nan 0.000 0.464 423 V N -0.195 119.528 119.914 -0.319 0.000 2.667 423 V HA -0.156 3.964 4.120 -0.000 0.000 0.252 423 V C 1.801 177.668 176.094 -0.378 0.000 1.065 423 V CA 1.586 63.626 62.300 -0.433 0.000 1.083 423 V CB -0.746 30.669 31.823 -0.679 0.000 0.692 423 V HN 0.192 nan 8.190 nan 0.000 0.468 424 F N 1.348 121.294 119.950 -0.006 0.000 2.274 424 F HA 0.000 4.527 4.527 -0.000 0.000 0.288 424 F C 2.803 178.609 175.800 0.011 0.000 1.069 424 F CA 1.272 59.266 58.000 -0.012 0.000 1.343 424 F CB -1.586 37.375 39.000 -0.066 0.000 1.089 424 F HN 0.195 nan 8.300 nan 0.000 0.517 425 T N -2.645 112.015 114.554 0.178 0.000 2.915 425 T HA 0.217 4.566 4.350 -0.000 0.000 0.269 425 T C 1.951 176.704 174.700 0.088 0.000 1.071 425 T CA 1.048 63.220 62.100 0.119 0.000 1.132 425 T CB -0.616 68.291 68.868 0.066 0.000 0.878 425 T HN 0.557 nan 8.240 nan 0.000 0.479 426 G N 1.389 110.222 108.800 0.055 0.000 2.176 426 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.253 426 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.253 426 G C -0.017 174.897 174.900 0.024 0.000 0.979 426 G CA 0.160 45.283 45.100 0.038 0.000 0.641 426 G HN 0.847 nan 8.290 nan 0.000 0.530 427 I N -1.479 119.102 120.570 0.019 0.000 2.969 427 I HA 0.601 4.771 4.170 -0.000 0.000 0.307 427 I C -2.337 173.783 176.117 0.006 0.000 1.149 427 I CA -3.159 58.148 61.300 0.011 0.000 1.008 427 I CB 1.666 39.673 38.000 0.012 0.000 1.232 427 I HN -0.226 nan 8.210 nan 0.000 0.435 428 P HA 0.031 nan 4.420 nan 0.000 0.263 428 P C 0.106 177.414 177.300 0.013 0.000 1.175 428 P CA 0.240 63.340 63.100 0.001 0.000 0.761 428 P CB 0.106 31.805 31.700 -0.003 0.000 0.794 429 G N 2.874 111.685 108.800 0.019 0.000 2.606 429 G HA2 0.368 4.328 3.960 -0.000 0.000 0.252 429 G HA3 0.368 4.328 3.960 -0.000 0.000 0.252 429 G C -0.593 174.322 174.900 0.026 0.000 1.206 429 G CA -0.476 44.651 45.100 0.044 0.000 0.861 429 G HN 0.391 nan 8.290 nan 0.000 0.561 430 K N 0.406 120.832 120.400 0.044 0.000 2.535 430 K HA 0.271 4.591 4.320 -0.000 0.000 0.250 430 K C -1.214 175.393 176.600 0.012 0.000 0.948 430 K CA -0.660 55.640 56.287 0.022 0.000 0.796 430 K CB 2.689 35.205 32.500 0.027 0.000 1.216 430 K HN 0.384 nan 8.250 nan 0.000 0.432 431 L N 3.061 124.274 121.223 -0.017 0.000 2.326 431 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 431 L C -0.995 175.867 176.870 -0.013 0.000 1.092 431 L CA -0.608 54.213 54.840 -0.032 0.000 0.810 431 L CB 1.109 43.140 42.059 -0.046 0.000 1.153 431 L HN 0.300 nan 8.230 nan 0.000 0.439 432 V N 5.156 125.063 119.914 -0.012 0.000 2.531 432 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 432 V C -0.044 176.044 176.094 -0.009 0.000 1.034 432 V CA -0.826 61.470 62.300 -0.007 0.000 0.865 432 V CB 1.590 33.409 31.823 -0.007 0.000 0.995 432 V HN 0.751 nan 8.190 nan 0.000 0.424 433 R N 2.469 122.966 120.500 -0.004 0.000 2.594 433 R HA 0.253 4.593 4.340 -0.000 0.000 0.272 433 R C 1.280 177.580 176.300 0.001 0.000 1.074 433 R CA -0.401 55.700 56.100 0.000 0.000 1.105 433 R CB 1.019 31.322 30.300 0.005 0.000 1.008 433 R HN 0.710 nan 8.270 nan 0.000 0.472 434 L N 2.822 124.050 121.223 0.009 0.000 2.042 434 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 434 L C 2.111 178.975 176.870 -0.011 0.000 1.076 434 L CA 1.870 56.717 54.840 0.013 0.000 0.749 434 L CB -0.098 41.998 42.059 0.062 0.000 0.893 434 L HN 0.573 nan 8.230 nan 0.000 0.432 435 K N -0.703 119.702 120.400 0.009 0.000 2.148 435 K HA -0.203 4.117 4.320 -0.000 0.000 0.204 435 K C 1.805 178.408 176.600 0.005 0.000 1.050 435 K CA 1.298 57.589 56.287 0.006 0.000 0.942 435 K CB -0.198 32.316 32.500 0.022 0.000 0.724 435 K HN 0.424 nan 8.250 nan 0.000 0.446 436 D N 0.314 120.719 120.400 0.009 0.000 2.097 436 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 436 D C 1.449 177.767 176.300 0.030 0.000 0.984 436 D CA 1.491 55.502 54.000 0.019 0.000 0.826 436 D CB 0.038 40.847 40.800 0.014 0.000 0.973 436 D HN 0.065 nan 8.370 nan 0.000 0.460 437 T N 0.219 114.783 114.554 0.016 0.000 2.708 437 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 437 T C 2.238 176.995 174.700 0.095 0.000 1.037 437 T CA 1.336 63.471 62.100 0.058 0.000 1.146 437 T CB -0.516 68.348 68.868 -0.008 0.000 0.865 437 T HN -0.004 nan 8.240 nan 0.000 0.435 438 V N 1.898 121.774 119.914 -0.063 0.000 2.332 438 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 438 V C 2.931 179.049 176.094 0.040 0.000 1.055 438 V CA 1.835 64.065 62.300 -0.117 0.000 1.038 438 V CB -1.262 30.412 31.823 -0.248 0.000 0.651 438 V HN 0.572 nan 8.190 nan 0.000 0.450 439 A N -0.728 122.125 122.820 0.056 0.000 1.897 439 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 439 A C 2.481 180.142 177.584 0.129 0.000 1.181 439 A CA 1.893 53.981 52.037 0.085 0.000 0.620 439 A CB -0.658 18.381 19.000 0.065 0.000 0.821 439 A HN 0.483 nan 8.150 nan 0.000 0.443 440 S N -0.620 115.162 115.700 0.136 0.000 2.359 440 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 440 S C 1.607 176.316 174.600 0.182 0.000 1.035 440 S CA 1.733 60.021 58.200 0.147 0.000 1.018 440 S CB -0.526 62.759 63.200 0.142 0.000 0.876 440 S HN 0.550 nan 8.310 nan 0.000 0.448 441 F N 1.501 121.560 119.950 0.183 0.000 2.206 441 F HA 0.069 4.596 4.527 -0.000 0.000 0.298 441 F C 2.264 178.141 175.800 0.129 0.000 1.090 441 F CA 0.908 59.016 58.000 0.180 0.000 1.323 441 F CB -0.277 38.761 39.000 0.063 0.000 1.028 441 F HN 0.072 nan 8.300 nan 0.000 0.492 442 K N 0.689 121.242 120.400 0.256 0.000 2.113 442 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 442 K C 2.160 178.861 176.600 0.167 0.000 1.047 442 K CA 1.384 57.774 56.287 0.172 0.000 0.928 442 K CB -0.260 32.314 32.500 0.124 0.000 0.716 442 K HN 0.208 nan 8.250 nan 0.000 0.446 443 A N 0.285 123.223 122.820 0.197 0.000 1.872 443 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 443 A C 2.205 179.945 177.584 0.260 0.000 1.187 443 A CA 1.540 53.723 52.037 0.244 0.000 0.614 443 A CB -0.592 18.639 19.000 0.386 0.000 0.826 443 A HN 0.152 nan 8.150 nan 0.000 0.442 444 V N 0.318 120.376 119.914 0.242 0.000 2.392 444 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 444 V C 2.496 178.664 176.094 0.123 0.000 1.059 444 V CA 1.943 64.351 62.300 0.179 0.000 1.051 444 V CB -0.897 30.966 31.823 0.066 0.000 0.658 444 V HN 0.545 nan 8.190 nan 0.000 0.455 445 L N -0.405 120.898 121.223 0.134 0.000 2.156 445 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 445 L C 2.340 179.255 176.870 0.076 0.000 1.095 445 L CA 1.265 56.164 54.840 0.099 0.000 0.770 445 L CB -0.486 41.639 42.059 0.109 0.000 0.914 445 L HN 0.368 nan 8.230 nan 0.000 0.439 446 E N 0.266 120.517 120.200 0.085 0.000 2.511 446 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 446 E C 0.961 177.583 176.600 0.036 0.000 1.066 446 E CA 0.376 56.811 56.400 0.058 0.000 0.871 446 E CB -0.024 29.711 29.700 0.059 0.000 0.863 446 E HN 0.516 nan 8.360 nan 0.000 0.520 447 G N 2.190 111.018 108.800 0.048 0.000 2.314 447 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.292 447 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.292 447 G C 0.427 175.317 174.900 -0.016 0.000 1.059 447 G CA 0.510 45.625 45.100 0.025 0.000 0.982 447 G HN 0.270 nan 8.290 nan 0.000 0.505 448 K N -1.073 119.305 120.400 -0.038 0.000 2.387 448 K HA 0.335 4.654 4.320 -0.000 0.000 0.203 448 K C 0.223 176.495 176.600 -0.548 0.000 1.030 448 K CA 0.001 56.130 56.287 -0.264 0.000 1.099 448 K CB 0.607 32.910 32.500 -0.328 0.000 0.863 448 K HN 0.483 nan 8.250 nan 0.000 0.529 449 Y N -0.401 119.920 120.300 0.035 0.000 2.742 449 Y HA 0.147 4.697 4.550 -0.000 0.000 0.248 449 Y C 0.636 176.595 175.900 0.098 0.000 1.132 449 Y CA -0.637 57.500 58.100 0.061 0.000 1.142 449 Y CB 0.614 39.133 38.460 0.100 0.000 1.222 449 Y HN -0.016 nan 8.280 nan 0.000 0.575 450 D N 0.600 121.071 120.400 0.119 0.000 2.183 450 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 450 D C 1.239 177.582 176.300 0.070 0.000 0.969 450 D CA 1.186 55.233 54.000 0.078 0.000 0.842 450 D CB -0.049 40.766 40.800 0.024 0.000 0.957 450 D HN 0.494 nan 8.370 nan 0.000 0.484 451 N N 0.513 119.242 118.700 0.049 0.000 2.567 451 N HA -0.039 4.701 4.740 -0.000 0.000 0.195 451 N C 0.112 175.653 175.510 0.053 0.000 1.242 451 N CA 0.172 53.243 53.050 0.034 0.000 0.884 451 N CB -0.274 38.215 38.487 0.004 0.000 1.007 451 N HN 0.182 nan 8.380 nan 0.000 0.450 452 I N 0.440 121.072 120.570 0.102 0.000 2.404 452 I HA 0.353 4.523 4.170 -0.000 0.000 0.293 452 I C -2.136 174.061 176.117 0.133 0.000 0.992 452 I CA -2.609 58.746 61.300 0.092 0.000 1.149 452 I CB 1.935 39.974 38.000 0.064 0.000 1.315 452 I HN -0.150 nan 8.210 nan 0.000 0.446 453 P HA 0.064 nan 4.420 nan 0.000 0.270 453 P C 0.172 177.585 177.300 0.188 0.000 1.227 453 P CA -0.191 62.972 63.100 0.104 0.000 0.788 453 P CB 0.535 32.277 31.700 0.071 0.000 0.926 454 E N 0.246 120.553 120.200 0.179 0.000 2.028 454 E HA -0.250 4.100 4.350 -0.000 0.000 0.191 454 E C 1.774 178.526 176.600 0.253 0.000 0.988 454 E CA 1.011 57.547 56.400 0.226 0.000 0.799 454 E CB -0.683 29.080 29.700 0.104 0.000 0.755 454 E HN 0.604 nan 8.360 nan 0.000 0.447 455 H N 1.127 120.256 119.070 0.098 0.000 2.492 455 H HA -0.084 4.472 4.556 -0.000 0.000 0.296 455 H C 1.894 177.295 175.328 0.121 0.000 1.095 455 H CA 1.340 57.447 56.048 0.098 0.000 1.281 455 H CB 0.135 29.922 29.762 0.042 0.000 1.374 455 H HN 0.186 nan 8.280 nan 0.000 0.545 456 A N 0.310 123.167 122.820 0.063 0.000 1.933 456 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 456 A C 2.042 179.479 177.584 -0.246 0.000 1.175 456 A CA 1.159 53.118 52.037 -0.130 0.000 0.628 456 A CB -1.021 17.827 19.000 -0.254 0.000 0.814 456 A HN 0.363 nan 8.150 nan 0.000 0.444 457 F N -2.198 117.687 119.950 -0.109 0.000 2.661 457 F HA 0.100 4.627 4.527 -0.000 0.000 0.298 457 F C 0.833 176.665 175.800 0.053 0.000 1.137 457 F CA 0.183 58.095 58.000 -0.146 0.000 1.454 457 F CB -0.288 38.602 39.000 -0.184 0.000 1.103 457 F HN 0.302 nan 8.300 nan 0.000 0.577 458 Y N 0.842 121.153 120.300 0.018 0.000 2.335 458 Y HA 0.315 4.865 4.550 -0.000 0.000 0.331 458 Y C 0.755 176.632 175.900 -0.039 0.000 1.094 458 Y CA -1.687 56.397 58.100 -0.027 0.000 1.253 458 Y CB 0.491 38.840 38.460 -0.185 0.000 1.203 458 Y HN 0.122 nan 8.280 nan 0.000 0.508 459 M N 4.707 123.958 119.600 -0.580 0.000 2.253 459 M HA -0.163 4.317 4.480 -0.000 0.000 0.195 459 M C -1.638 174.540 176.300 -0.203 0.000 0.512 459 M CA 1.274 56.245 55.300 -0.548 0.000 0.442 459 M CB -1.426 30.628 32.600 -0.910 0.000 1.189 459 M HN 0.469 nan 8.290 nan 0.000 0.923 460 V N -3.049 116.828 119.914 -0.062 0.000 3.156 460 V HA 1.090 5.210 4.120 -0.000 0.000 0.310 460 V C 0.912 177.038 176.094 0.053 0.000 1.234 460 V CA -0.383 61.919 62.300 0.003 0.000 1.065 460 V CB 1.236 33.066 31.823 0.012 0.000 1.088 460 V HN 0.437 nan 8.190 nan 0.000 0.451 461 G N -0.058 108.772 108.800 0.050 0.000 3.048 461 G HA2 0.526 4.486 3.960 -0.000 0.000 0.151 461 G HA3 0.526 4.486 3.960 -0.000 0.000 0.151 461 G C 0.472 175.412 174.900 0.066 0.000 1.803 461 G CA -0.033 45.092 45.100 0.041 0.000 1.047 461 G HN 1.454 nan 8.290 nan 0.000 0.513 462 G N -1.492 107.341 108.800 0.055 0.000 2.535 462 G HA2 0.380 4.340 3.960 -0.000 0.000 0.303 462 G HA3 0.380 4.340 3.960 -0.000 0.000 0.303 462 G C 0.909 175.928 174.900 0.197 0.000 1.237 462 G CA -0.190 44.969 45.100 0.099 0.000 0.986 462 G HN 0.401 nan 8.290 nan 0.000 0.494 463 I N -0.328 120.388 120.570 0.242 0.000 2.229 463 I HA -0.263 3.907 4.170 -0.000 0.000 0.250 463 I C 2.502 178.500 176.117 -0.198 0.000 1.096 463 I CA 2.060 63.306 61.300 -0.090 0.000 1.358 463 I CB -0.178 37.678 38.000 -0.241 0.000 1.047 463 I HN 0.838 nan 8.210 nan 0.000 0.422 464 E N 0.054 120.205 120.200 -0.081 0.000 2.108 464 E HA -0.316 4.034 4.350 -0.000 0.000 0.203 464 E C 1.625 178.171 176.600 -0.090 0.000 1.022 464 E CA 2.033 58.392 56.400 -0.069 0.000 0.823 464 E CB -0.133 29.552 29.700 -0.025 0.000 0.744 464 E HN 0.580 nan 8.360 nan 0.000 0.456 465 D N -0.451 119.903 120.400 -0.076 0.000 2.224 465 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 465 D C 2.035 178.238 176.300 -0.162 0.000 0.965 465 D CA 0.474 54.425 54.000 -0.082 0.000 0.852 465 D CB -0.086 40.692 40.800 -0.036 0.000 0.947 465 D HN 0.105 nan 8.370 nan 0.000 0.494 466 V N 0.984 120.728 119.914 -0.282 0.000 2.261 466 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 466 V C 2.689 178.537 176.094 -0.409 0.000 1.047 466 V CA 1.225 63.212 62.300 -0.522 0.000 1.015 466 V CB -0.577 30.644 31.823 -1.004 0.000 0.642 466 V HN 0.068 nan 8.190 nan 0.000 0.446 467 V N 0.534 120.257 119.914 -0.319 0.000 2.332 467 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 467 V C 2.671 178.699 176.094 -0.111 0.000 1.055 467 V CA 2.113 64.313 62.300 -0.165 0.000 1.038 467 V CB -1.406 30.372 31.823 -0.076 0.000 0.651 467 V HN 0.549 nan 8.190 nan 0.000 0.450 468 A N -0.410 122.349 122.820 -0.102 0.000 1.897 468 A HA -0.189 4.130 4.320 -0.000 0.000 0.215 468 A C 2.385 179.933 177.584 -0.059 0.000 1.181 468 A CA 1.912 53.911 52.037 -0.063 0.000 0.620 468 A CB -0.429 18.542 19.000 -0.049 0.000 0.821 468 A HN 0.494 nan 8.150 nan 0.000 0.443 469 K N -0.355 119.996 120.400 -0.082 0.000 2.103 469 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 469 K C 2.204 178.774 176.600 -0.050 0.000 1.052 469 K CA 0.965 57.218 56.287 -0.055 0.000 0.945 469 K CB -0.281 32.179 32.500 -0.067 0.000 0.722 469 K HN 0.366 nan 8.250 nan 0.000 0.443 470 A N 1.720 124.479 122.820 -0.101 0.000 1.865 470 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 470 A C 1.856 179.417 177.584 -0.039 0.000 1.191 470 A CA 1.806 53.794 52.037 -0.081 0.000 0.623 470 A CB -0.589 18.335 19.000 -0.128 0.000 0.826 470 A HN 0.428 nan 8.150 nan 0.000 0.444 471 E N -0.750 119.426 120.200 -0.039 0.000 2.160 471 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 471 E C 2.074 178.666 176.600 -0.012 0.000 0.991 471 E CA 1.534 57.922 56.400 -0.021 0.000 0.810 471 E CB -0.110 29.578 29.700 -0.020 0.000 0.742 471 E HN 0.576 nan 8.360 nan 0.000 0.466 472 K N 1.357 121.750 120.400 -0.011 0.000 2.057 472 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 472 K C 1.866 178.470 176.600 0.007 0.000 1.050 472 K CA 0.955 57.242 56.287 0.000 0.000 0.935 472 K CB -0.221 32.282 32.500 0.006 0.000 0.715 472 K HN 0.060 nan 8.250 nan 0.000 0.439 473 L N 0.410 121.641 121.223 0.012 0.000 2.456 473 L HA 0.023 4.363 4.340 -0.000 0.000 0.224 473 L C 2.026 178.898 176.870 0.003 0.000 1.148 473 L CA 0.641 55.490 54.840 0.015 0.000 0.825 473 L CB -0.493 41.585 42.059 0.032 0.000 0.937 473 L HN 0.224 nan 8.230 nan 0.000 0.450 474 A N -0.020 122.800 122.820 0.000 0.000 2.239 474 A HA 0.345 4.665 4.320 -0.000 0.000 0.209 474 A C 1.181 178.764 177.584 -0.003 0.000 1.171 474 A CA 0.992 53.028 52.037 -0.002 0.000 0.768 474 A CB -0.352 18.645 19.000 -0.004 0.000 0.790 474 A HN 0.360 nan 8.150 nan 0.000 0.478 475 A N 0.000 122.819 122.820 -0.002 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 475 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486