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 1t6j_1_A DATA FIRST_RESID 39 DATA SEQUENCE TTQVTQVDIV EKXLAAPTDS TLELDGYSLN LGDVVSAARK GRPVRVKDSD DATA SEQUENCE EIRSKIDKSV EFLRSQXXXX XXXXXXXXXX XXXXXTEDAI SLQKALLEHQ DATA SEQUENCE LCGVLPSSFD SFRLGRGLEN SLPLEVVRGA XTIRVNSLTR GHSAVRLVVL DATA SEQUENCE EALTNFLNHG ITPIVPLRGT ISXXXDLSPL SYIAAAISGH PDSKVHVVHE DATA SEQUENCE GKEKILYARE AXALFNLEPV VLGPKEGLGL VNGTAVSASX ATLALHDAHX DATA SEQUENCE LSLLSQSLTA XTVEAXVGHA GSFHPFLHDV TRPHPTQIEV AGNIRKLLEG DATA SEQUENCE SRFAVHHEEE XXXXXXXXXX RQDRYPLRTS PQWLGPLVSD LIHAHAVLTI DATA SEQUENCE EAGQSTTDNP LIDVENKTSH HGGNFQAAAV ANTXEKTRLG LAQIGKLNFT DATA SEQUENCE QLTEXLNAGX NRGLPSCLAA EDPSLSYHCK GLDIAAAAYT SELGHLANPV DATA SEQUENCE TTHVQPAEXA NQAVNSLALI SARRTTESND VLSLLLATHL YCVLQAIDLR DATA SEQUENCE AIEFEFKKQF GPAIVSLIDQ HFGSAXTGSN LRDELVEKVN KTLAKRLEQT DATA SEQUENCE NSYDLVPRWH DAFSFAAGTV VEVLSSTSLS LAAVNAWKVA AAESAISLTR DATA SEQUENCE QVRETFWSAA STSSPALSYL SPRTQILYAF VREELGVKAR RGDVFLGKQE DATA SEQUENCE VTIGSNVSKI YEAIKSGRIN NVLLKXLA 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 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.712 174.700 0.020 0.000 1.109 39 T CA 0.000 62.117 62.100 0.028 0.000 1.349 39 T CB 0.000 68.882 68.868 0.023 0.000 0.612 40 T N 0.199 114.763 114.554 0.016 0.000 3.609 40 T HA 0.211 4.561 4.350 0.000 0.000 0.245 40 T C 0.326 175.028 174.700 0.004 0.000 0.980 40 T CA -0.304 61.802 62.100 0.011 0.000 0.940 40 T CB -0.761 68.114 68.868 0.011 0.000 1.105 40 T HN 0.747 nan 8.240 nan 0.000 0.627 41 Q N -0.122 119.679 119.800 0.001 0.000 2.709 41 Q HA 0.565 4.905 4.340 0.000 0.000 0.232 41 Q C -1.188 174.805 176.000 -0.012 0.000 0.856 41 Q CA -1.131 54.669 55.803 -0.006 0.000 0.788 41 Q CB 1.414 30.151 28.738 -0.003 0.000 1.386 41 Q HN 0.134 nan 8.270 nan 0.000 0.453 42 V N 1.445 121.345 119.914 -0.023 0.000 2.958 42 V HA -0.106 4.015 4.120 0.000 0.000 0.430 42 V C -0.622 175.445 176.094 -0.045 0.000 0.682 42 V CA 0.725 63.000 62.300 -0.041 0.000 1.961 42 V CB 0.025 31.824 31.823 -0.040 0.000 2.456 42 V HN 1.102 nan 8.190 nan 0.000 0.486 43 T N 2.514 117.031 114.554 -0.062 0.000 2.937 43 T HA 0.557 4.907 4.350 0.000 0.000 0.283 43 T C 0.762 175.395 174.700 -0.111 0.000 1.012 43 T CA 0.333 62.395 62.100 -0.063 0.000 0.997 43 T CB 1.921 70.758 68.868 -0.052 0.000 1.136 43 T HN 0.862 nan 8.240 nan 0.000 0.551 44 Q N -0.257 119.480 119.800 -0.105 0.000 2.124 44 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 44 Q C 1.984 177.858 176.000 -0.210 0.000 0.977 44 Q CA 1.400 57.098 55.803 -0.175 0.000 0.850 44 Q CB -0.373 28.317 28.738 -0.081 0.000 0.901 44 Q HN 0.643 nan 8.270 nan 0.000 0.429 45 V N 1.418 121.251 119.914 -0.135 0.000 2.295 45 V HA -0.271 3.849 4.120 0.000 0.000 0.246 45 V C 1.741 177.753 176.094 -0.136 0.000 1.049 45 V CA 2.061 64.287 62.300 -0.124 0.000 1.024 45 V CB -0.590 31.182 31.823 -0.085 0.000 0.648 45 V HN 0.440 nan 8.190 nan 0.000 0.447 46 D N 0.169 120.494 120.400 -0.125 0.000 2.116 46 D HA -0.196 4.444 4.640 0.000 0.000 0.193 46 D C 2.055 178.260 176.300 -0.158 0.000 0.998 46 D CA 1.693 55.623 54.000 -0.116 0.000 0.836 46 D CB -0.262 40.479 40.800 -0.099 0.000 0.951 46 D HN 0.414 nan 8.370 nan 0.000 0.449 47 I N 0.542 120.966 120.570 -0.243 0.000 2.226 47 I HA -0.232 3.938 4.170 0.000 0.000 0.245 47 I C 2.501 178.435 176.117 -0.304 0.000 1.100 47 I CA 0.646 61.729 61.300 -0.363 0.000 1.374 47 I CB -0.178 37.435 38.000 -0.644 0.000 1.057 47 I HN -0.106 nan 8.210 nan 0.000 0.413 48 V N 0.705 120.444 119.914 -0.291 0.000 2.427 48 V HA -0.286 3.834 4.120 0.000 0.000 0.248 48 V C 2.481 178.504 176.094 -0.119 0.000 1.051 48 V CA 2.112 64.287 62.300 -0.207 0.000 1.048 48 V CB -0.632 31.078 31.823 -0.188 0.000 0.666 48 V HN 0.503 nan 8.190 nan 0.000 0.456 49 E N 0.251 120.386 120.200 -0.107 0.000 2.110 49 E HA -0.180 4.171 4.350 0.000 0.000 0.193 49 E C 1.618 178.189 176.600 -0.049 0.000 0.988 49 E CA 0.736 57.094 56.400 -0.069 0.000 0.804 49 E CB 0.072 29.733 29.700 -0.064 0.000 0.745 49 E HN 0.332 nan 8.360 nan 0.000 0.458 53 A N 1.065 123.892 122.820 0.012 0.000 2.123 53 A HA 0.465 4.786 4.320 0.000 0.000 0.214 53 A C 1.353 178.945 177.584 0.015 0.000 1.152 53 A CA 0.793 52.835 52.037 0.007 0.000 0.728 53 A CB -0.245 18.756 19.000 0.001 0.000 0.814 53 A HN 0.306 nan 8.150 nan 0.000 0.464 54 A N 1.384 124.219 122.820 0.025 0.000 2.573 54 A HA 0.383 4.703 4.320 0.000 0.000 0.250 54 A C -2.178 175.416 177.584 0.017 0.000 1.049 54 A CA -0.502 51.549 52.037 0.024 0.000 0.767 54 A CB -0.622 18.399 19.000 0.034 0.000 0.965 54 A HN 0.308 nan 8.150 nan 0.000 0.514 55 P HA 0.225 nan 4.420 nan 0.000 0.271 55 P C 0.906 178.210 177.300 0.006 0.000 1.218 55 P CA 0.191 63.296 63.100 0.008 0.000 0.780 55 P CB 0.842 32.546 31.700 0.007 0.000 0.901 56 T N -3.515 111.043 114.554 0.005 0.000 2.985 56 T HA 0.031 4.381 4.350 0.000 0.000 0.254 56 T C 0.855 175.557 174.700 0.003 0.000 1.021 56 T CA 0.119 62.221 62.100 0.003 0.000 0.957 56 T CB -0.211 68.659 68.868 0.005 0.000 1.047 56 T HN 0.381 nan 8.240 nan 0.000 0.511 57 D N 2.415 122.818 120.400 0.004 0.000 2.468 57 D HA 0.023 4.663 4.640 0.000 0.000 0.243 57 D C 1.227 177.528 176.300 0.002 0.000 0.994 57 D CA 0.508 54.511 54.000 0.003 0.000 0.932 57 D CB -0.809 39.994 40.800 0.005 0.000 1.078 57 D HN 0.480 nan 8.370 nan 0.000 0.473 58 S N 0.643 116.345 115.700 0.003 0.000 2.563 58 S HA 0.103 4.573 4.470 0.000 0.000 0.284 58 S C 0.357 174.957 174.600 0.000 0.000 1.331 58 S CA -0.357 57.844 58.200 0.002 0.000 1.047 58 S CB 0.258 63.460 63.200 0.003 0.000 0.859 58 S HN 0.198 nan 8.310 nan 0.000 0.514 59 T N 3.241 117.795 114.554 -0.001 0.000 2.901 59 T HA 0.266 4.616 4.350 0.000 0.000 0.301 59 T C 0.016 174.715 174.700 -0.001 0.000 1.012 59 T CA -0.352 61.746 62.100 -0.003 0.000 1.135 59 T CB 0.267 69.133 68.868 -0.003 0.000 0.936 59 T HN 0.618 nan 8.240 nan 0.000 0.539 60 L N 3.895 125.117 121.223 -0.002 0.000 2.290 60 L HA 0.368 4.708 4.340 0.000 0.000 0.284 60 L C -0.066 176.804 176.870 0.000 0.000 1.078 60 L CA 0.100 54.940 54.840 -0.000 0.000 0.815 60 L CB 0.430 42.488 42.059 -0.003 0.000 1.162 60 L HN 0.576 nan 8.230 nan 0.000 0.435 61 E N 5.408 125.610 120.200 0.004 0.000 2.113 61 E HA 0.324 4.674 4.350 0.000 0.000 0.273 61 E C -1.225 175.380 176.600 0.007 0.000 0.924 61 E CA -0.884 55.519 56.400 0.005 0.000 0.764 61 E CB 1.521 31.226 29.700 0.008 0.000 1.104 61 E HN 0.388 nan 8.360 nan 0.000 0.406 62 L N 3.896 125.120 121.223 0.003 0.000 2.278 62 L HA 0.140 4.481 4.340 0.000 0.000 0.287 62 L C 0.564 177.439 176.870 0.010 0.000 1.072 62 L CA 0.156 54.996 54.840 -0.000 0.000 0.819 62 L CB 0.506 42.558 42.059 -0.013 0.000 1.176 62 L HN 0.549 nan 8.230 nan 0.000 0.435 63 D N 0.010 120.427 120.400 0.028 0.000 2.469 63 D HA 0.240 4.880 4.640 0.000 0.000 0.215 63 D C 1.217 177.586 176.300 0.115 0.000 1.154 63 D CA 0.365 54.407 54.000 0.069 0.000 0.832 63 D CB 0.502 41.355 40.800 0.088 0.000 1.008 63 D HN 0.601 nan 8.370 nan 0.000 0.506 64 G N -0.238 108.552 108.800 -0.017 0.000 2.179 64 G HA2 -0.388 3.572 3.960 0.000 0.000 0.260 64 G HA3 -0.388 3.572 3.960 0.000 0.000 0.260 64 G C 0.423 174.981 174.900 -0.570 0.000 0.977 64 G CA 0.823 45.774 45.100 -0.248 0.000 0.641 64 G HN 0.421 nan 8.290 nan 0.000 0.533 65 Y N -0.559 119.726 120.300 -0.025 0.000 2.450 65 Y HA 0.258 4.809 4.550 0.000 0.000 0.279 65 Y C 2.312 178.204 175.900 -0.012 0.000 1.106 65 Y CA 0.734 58.824 58.100 -0.018 0.000 1.143 65 Y CB -0.020 38.430 38.460 -0.017 0.000 1.328 65 Y HN 0.518 nan 8.280 nan 0.000 0.553 66 S N 0.013 115.788 115.700 0.126 0.000 2.556 66 S HA 0.155 4.625 4.470 0.000 0.000 0.216 66 S C 0.349 174.971 174.600 0.037 0.000 0.970 66 S CA -0.261 57.984 58.200 0.074 0.000 0.912 66 S CB -0.282 62.956 63.200 0.064 0.000 0.790 66 S HN 0.157 nan 8.310 nan 0.000 0.504 67 L N 4.588 125.821 121.223 0.016 0.000 2.534 67 L HA 0.317 4.657 4.340 0.000 0.000 0.271 67 L C -0.177 176.693 176.870 0.001 0.000 1.178 67 L CA 0.068 54.908 54.840 0.000 0.000 0.907 67 L CB -0.410 41.636 42.059 -0.021 0.000 1.164 67 L HN 0.537 nan 8.230 nan 0.000 0.482 68 N N 3.477 122.185 118.700 0.012 0.000 2.518 68 N HA 0.325 5.065 4.740 0.000 0.000 0.284 68 N C 0.496 176.014 175.510 0.013 0.000 1.230 68 N CA -0.817 52.245 53.050 0.021 0.000 0.941 68 N CB 0.342 38.861 38.487 0.053 0.000 1.219 68 N HN 0.326 nan 8.380 nan 0.000 0.560 69 L N -0.132 121.100 121.223 0.015 0.000 2.046 69 L HA 0.114 4.454 4.340 0.000 0.000 0.208 69 L C 2.334 179.248 176.870 0.073 0.000 1.077 69 L CA 2.060 56.907 54.840 0.011 0.000 0.747 69 L CB -1.425 40.601 42.059 -0.056 0.000 0.896 69 L HN 0.951 nan 8.230 nan 0.000 0.432 70 G N -1.160 107.709 108.800 0.115 0.000 2.422 70 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 70 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 70 G C 1.301 176.228 174.900 0.046 0.000 1.146 70 G CA 0.762 45.928 45.100 0.109 0.000 0.769 70 G HN 0.337 nan 8.290 nan 0.000 0.547 71 D N 0.183 120.602 120.400 0.031 0.000 2.084 71 D HA -0.137 4.503 4.640 0.000 0.000 0.194 71 D C 2.850 179.145 176.300 -0.009 0.000 0.990 71 D CA 1.589 55.594 54.000 0.010 0.000 0.826 71 D CB -0.794 40.012 40.800 0.009 0.000 0.971 71 D HN 0.235 nan 8.370 nan 0.000 0.453 72 V N 0.520 120.425 119.914 -0.016 0.000 2.407 72 V HA -0.197 3.923 4.120 0.000 0.000 0.248 72 V C 2.226 178.289 176.094 -0.052 0.000 1.055 72 V CA 1.503 63.784 62.300 -0.031 0.000 1.049 72 V CB -0.523 31.279 31.823 -0.036 0.000 0.662 72 V HN 0.030 nan 8.190 nan 0.000 0.455 73 V N 1.935 121.807 119.914 -0.070 0.000 2.427 73 V HA -0.185 3.935 4.120 0.000 0.000 0.248 73 V C 3.010 179.038 176.094 -0.111 0.000 1.051 73 V CA 2.310 64.522 62.300 -0.146 0.000 1.048 73 V CB -0.801 30.844 31.823 -0.296 0.000 0.666 73 V HN 0.869 nan 8.190 nan 0.000 0.456 74 S N 1.004 116.669 115.700 -0.058 0.000 2.402 74 S HA -0.091 4.379 4.470 0.000 0.000 0.229 74 S C 2.040 176.622 174.600 -0.032 0.000 1.021 74 S CA 1.227 59.405 58.200 -0.036 0.000 0.974 74 S CB -0.382 62.811 63.200 -0.011 0.000 0.800 74 S HN 0.550 nan 8.310 nan 0.000 0.484 75 A N 1.714 124.516 122.820 -0.031 0.000 1.930 75 A HA 0.523 4.843 4.320 0.000 0.000 0.215 75 A C 2.463 180.030 177.584 -0.027 0.000 1.176 75 A CA 1.277 53.300 52.037 -0.024 0.000 0.632 75 A CB -1.230 17.758 19.000 -0.020 0.000 0.819 75 A HN 0.787 nan 8.150 nan 0.000 0.445 76 A N -0.438 122.357 122.820 -0.042 0.000 1.898 76 A HA -0.012 4.308 4.320 0.000 0.000 0.214 76 A C 2.255 179.812 177.584 -0.046 0.000 1.183 76 A CA 1.360 53.370 52.037 -0.044 0.000 0.622 76 A CB -0.236 18.729 19.000 -0.058 0.000 0.824 76 A HN 0.487 nan 8.150 nan 0.000 0.444 77 R N -1.382 119.083 120.500 -0.059 0.000 2.195 77 R HA 0.138 4.479 4.340 0.000 0.000 0.197 77 R C 0.687 176.968 176.300 -0.032 0.000 0.990 77 R CA 0.384 56.453 56.100 -0.052 0.000 1.048 77 R CB 0.179 30.431 30.300 -0.079 0.000 0.997 77 R HN 0.097 nan 8.270 nan 0.000 0.502 78 K N 0.175 120.558 120.400 -0.029 0.000 2.397 78 K HA 0.181 4.502 4.320 0.000 0.000 0.202 78 K C 0.460 177.056 176.600 -0.006 0.000 1.022 78 K CA 0.305 56.584 56.287 -0.013 0.000 1.141 78 K CB 0.963 33.456 32.500 -0.011 0.000 0.857 78 K HN 0.334 nan 8.250 nan 0.000 0.514 79 G N 2.722 111.518 108.800 -0.007 0.000 2.341 79 G HA2 -0.357 3.603 3.960 0.000 0.000 0.292 79 G HA3 -0.357 3.603 3.960 0.000 0.000 0.292 79 G C 0.131 175.028 174.900 -0.005 0.000 1.021 79 G CA 0.638 45.737 45.100 -0.002 0.000 0.905 79 G HN 0.428 nan 8.290 nan 0.000 0.508 80 R N 0.263 120.758 120.500 -0.009 0.000 2.590 80 R HA 0.357 4.698 4.340 0.000 0.000 0.274 80 R C -2.038 174.254 176.300 -0.012 0.000 1.061 80 R CA -1.203 54.892 56.100 -0.008 0.000 1.081 80 R CB 0.450 30.745 30.300 -0.008 0.000 0.984 80 R HN 0.099 nan 8.270 nan 0.000 0.448 81 P HA 0.029 nan 4.420 nan 0.000 0.271 81 P C -1.276 176.014 177.300 -0.016 0.000 1.216 81 P CA -0.168 62.919 63.100 -0.021 0.000 0.776 81 P CB 0.971 32.659 31.700 -0.021 0.000 0.881 82 V N 4.038 123.941 119.914 -0.019 0.000 2.709 82 V HA 0.692 4.812 4.120 0.000 0.000 0.308 82 V C -0.058 176.030 176.094 -0.010 0.000 1.062 82 V CA -0.581 61.712 62.300 -0.011 0.000 0.901 82 V CB 2.033 33.851 31.823 -0.008 0.000 1.003 82 V HN 0.639 nan 8.190 nan 0.000 0.425 83 R N 2.282 122.778 120.500 -0.006 0.000 2.629 83 R HA 0.717 5.057 4.340 0.000 0.000 0.266 83 R C -1.542 174.758 176.300 -0.001 0.000 1.051 83 R CA -0.766 55.332 56.100 -0.002 0.000 0.895 83 R CB 1.952 32.251 30.300 -0.002 0.000 1.246 83 R HN 0.502 nan 8.270 nan 0.000 0.459 84 V N 2.669 122.583 119.914 0.000 0.000 2.485 84 V HA 0.092 4.212 4.120 0.000 0.000 0.287 84 V C 0.383 176.480 176.094 0.005 0.000 1.022 84 V CA 0.014 62.314 62.300 0.000 0.000 1.067 84 V CB 0.456 32.279 31.823 -0.001 0.000 0.967 84 V HN 0.822 nan 8.190 nan 0.000 0.479 85 K N 4.831 125.235 120.400 0.007 0.000 2.511 85 K HA -0.113 4.207 4.320 0.000 0.000 0.277 85 K C 0.175 176.780 176.600 0.009 0.000 1.025 85 K CA 0.419 56.712 56.287 0.010 0.000 1.112 85 K CB 0.095 32.604 32.500 0.015 0.000 0.859 85 K HN 0.933 nan 8.250 nan 0.000 0.485 86 D N 3.382 123.786 120.400 0.008 0.000 2.441 86 D HA -0.008 4.632 4.640 0.000 0.000 0.243 86 D C 0.331 176.636 176.300 0.007 0.000 1.257 86 D CA 0.315 54.320 54.000 0.008 0.000 1.027 86 D CB 0.346 41.151 40.800 0.008 0.000 1.084 86 D HN 0.471 nan 8.370 nan 0.000 0.514 87 S N 2.755 118.459 115.700 0.007 0.000 2.942 87 S HA 0.116 4.586 4.470 0.000 0.000 0.220 87 S C 0.867 175.470 174.600 0.004 0.000 0.945 87 S CA 0.769 58.972 58.200 0.005 0.000 0.851 87 S CB 0.205 63.409 63.200 0.007 0.000 0.820 87 S HN 0.608 nan 8.310 nan 0.000 0.624 88 D N -0.664 119.739 120.400 0.005 0.000 1.693 88 D HA -0.165 4.475 4.640 0.000 0.000 0.249 88 D C 0.946 177.248 176.300 0.003 0.000 0.851 88 D CA 1.133 55.136 54.000 0.004 0.000 1.265 88 D CB -1.722 39.080 40.800 0.003 0.000 1.446 88 D HN 0.459 nan 8.370 nan 0.000 0.757 89 E N 0.802 121.001 120.200 -0.000 0.000 2.072 89 E HA -0.127 4.224 4.350 0.000 0.000 0.191 89 E C 2.386 178.987 176.600 0.001 0.000 0.985 89 E CA 1.104 57.502 56.400 -0.003 0.000 0.801 89 E CB -0.010 29.683 29.700 -0.011 0.000 0.750 89 E HN 0.371 nan 8.360 nan 0.000 0.452 90 I N 1.140 121.714 120.570 0.006 0.000 2.179 90 I HA -0.219 3.951 4.170 0.000 0.000 0.242 90 I C 2.564 178.684 176.117 0.005 0.000 1.088 90 I CA 1.259 62.565 61.300 0.009 0.000 1.357 90 I CB -1.108 36.900 38.000 0.014 0.000 1.051 90 I HN 0.160 nan 8.210 nan 0.000 0.409 91 R N 0.196 120.699 120.500 0.006 0.000 2.073 91 R HA -0.150 4.190 4.340 0.000 0.000 0.234 91 R C 2.602 178.907 176.300 0.010 0.000 1.134 91 R CA 1.752 57.857 56.100 0.008 0.000 0.952 91 R CB -0.387 29.918 30.300 0.009 0.000 0.850 91 R HN 0.253 nan 8.270 nan 0.000 0.433 92 S N 1.121 116.827 115.700 0.009 0.000 2.353 92 S HA -0.207 4.264 4.470 0.000 0.000 0.222 92 S C 1.870 176.477 174.600 0.012 0.000 1.035 92 S CA 1.993 60.200 58.200 0.011 0.000 1.025 92 S CB -0.090 63.115 63.200 0.008 0.000 0.902 92 S HN 0.425 nan 8.310 nan 0.000 0.440 93 K N 0.512 120.916 120.400 0.006 0.000 2.147 93 K HA -0.041 4.279 4.320 0.000 0.000 0.205 93 K C 2.067 178.671 176.600 0.008 0.000 1.049 93 K CA 1.665 57.955 56.287 0.004 0.000 0.936 93 K CB -0.487 32.009 32.500 -0.008 0.000 0.722 93 K HN 0.427 nan 8.250 nan 0.000 0.446 94 I N 1.976 122.549 120.570 0.005 0.000 2.133 94 I HA -0.235 3.935 4.170 0.000 0.000 0.238 94 I C 2.288 178.421 176.117 0.026 0.000 1.074 94 I CA 1.719 63.025 61.300 0.009 0.000 1.342 94 I CB -0.432 37.571 38.000 0.004 0.000 1.053 94 I HN 0.263 nan 8.210 nan 0.000 0.404 95 D N 1.043 121.458 120.400 0.025 0.000 2.149 95 D HA -0.198 4.442 4.640 0.000 0.000 0.198 95 D C 2.138 178.467 176.300 0.048 0.000 0.990 95 D CA 1.455 55.474 54.000 0.033 0.000 0.839 95 D CB 0.076 40.892 40.800 0.027 0.000 0.948 95 D HN 0.143 nan 8.370 nan 0.000 0.460 96 K N -0.350 120.079 120.400 0.048 0.000 2.097 96 K HA -0.064 4.257 4.320 0.000 0.000 0.205 96 K C 2.227 178.890 176.600 0.104 0.000 1.050 96 K CA 0.844 57.171 56.287 0.067 0.000 0.938 96 K CB -0.153 32.373 32.500 0.042 0.000 0.718 96 K HN -0.004 nan 8.250 nan 0.000 0.442 97 S N 0.566 116.318 115.700 0.087 0.000 2.356 97 S HA -0.104 4.367 4.470 0.000 0.000 0.223 97 S C 1.996 176.686 174.600 0.151 0.000 1.032 97 S CA 0.974 59.247 58.200 0.121 0.000 1.005 97 S CB -0.080 63.171 63.200 0.084 0.000 0.867 97 S HN 0.050 nan 8.310 nan 0.000 0.449 98 V N 1.669 121.642 119.914 0.099 0.000 2.295 98 V HA -0.130 3.990 4.120 0.000 0.000 0.246 98 V C 2.581 178.725 176.094 0.083 0.000 1.049 98 V CA 2.256 64.603 62.300 0.078 0.000 1.024 98 V CB -0.876 30.977 31.823 0.050 0.000 0.648 98 V HN 0.511 nan 8.190 nan 0.000 0.447 99 E N 0.475 120.730 120.200 0.092 0.000 2.058 99 E HA -0.281 4.069 4.350 0.000 0.000 0.194 99 E C 1.931 178.594 176.600 0.105 0.000 0.997 99 E CA 1.799 58.249 56.400 0.084 0.000 0.801 99 E CB -0.614 29.138 29.700 0.086 0.000 0.746 99 E HN 0.489 nan 8.360 nan 0.000 0.450 100 F N 0.243 120.204 119.950 0.020 0.000 2.236 100 F HA -0.158 4.369 4.527 0.000 0.000 0.302 100 F C 1.711 177.522 175.800 0.019 0.000 1.073 100 F CA 1.104 59.116 58.000 0.021 0.000 1.336 100 F CB 0.019 39.036 39.000 0.027 0.000 1.040 100 F HN 0.121 nan 8.300 nan 0.000 0.507 101 L N -0.108 121.113 121.223 -0.002 0.000 2.127 101 L HA -0.060 4.281 4.340 0.000 0.000 0.203 101 L C 2.552 179.365 176.870 -0.096 0.000 1.080 101 L CA 1.166 55.958 54.840 -0.079 0.000 0.768 101 L CB -1.229 40.848 42.059 0.031 0.000 0.924 101 L HN 0.147 nan 8.230 nan 0.000 0.444 102 R N 0.534 121.007 120.500 -0.045 0.000 2.127 102 R HA -0.159 4.181 4.340 0.000 0.000 0.238 102 R C 1.993 178.251 176.300 -0.070 0.000 1.134 102 R CA 1.840 57.916 56.100 -0.039 0.000 0.975 102 R CB 0.072 30.365 30.300 -0.012 0.000 0.865 102 R HN 0.446 nan 8.270 nan 0.000 0.447 103 S N -0.001 115.632 115.700 -0.111 0.000 2.593 103 S HA 0.046 4.516 4.470 0.000 0.000 0.217 103 S C 0.071 174.559 174.600 -0.188 0.000 0.966 103 S CA -0.360 57.763 58.200 -0.127 0.000 0.914 103 S CB 0.025 63.155 63.200 -0.116 0.000 0.776 103 S HN 0.385 nan 8.310 nan 0.000 0.523 125 E N 1.661 121.858 120.200 -0.005 0.000 3.861 125 E HA 0.169 4.519 4.350 0.000 0.000 0.192 125 E C -0.061 176.537 176.600 -0.003 0.000 1.242 125 E CA -0.588 55.810 56.400 -0.004 0.000 1.010 125 E CB -0.002 29.695 29.700 -0.005 0.000 2.909 125 E HN 0.362 nan 8.360 nan 0.000 0.796 126 D N 1.679 122.077 120.400 -0.003 0.000 2.392 126 D HA 0.015 4.655 4.640 0.000 0.000 0.228 126 D C 1.386 177.687 176.300 0.001 0.000 1.003 126 D CA 0.726 54.725 54.000 -0.001 0.000 0.917 126 D CB 0.100 40.899 40.800 -0.002 0.000 0.890 126 D HN 0.240 nan 8.370 nan 0.000 0.532 127 A N 1.251 124.072 122.820 0.001 0.000 1.908 127 A HA -0.158 4.162 4.320 0.000 0.000 0.218 127 A C 2.191 179.779 177.584 0.006 0.000 1.181 127 A CA 0.763 52.802 52.037 0.004 0.000 0.627 127 A CB -0.502 18.499 19.000 0.001 0.000 0.818 127 A HN 0.323 nan 8.150 nan 0.000 0.445 128 I N -1.358 119.215 120.570 0.004 0.000 2.406 128 I HA -0.114 4.056 4.170 0.000 0.000 0.249 128 I C 2.551 178.672 176.117 0.007 0.000 1.122 128 I CA 1.450 62.753 61.300 0.005 0.000 1.431 128 I CB -0.105 37.896 38.000 0.001 0.000 1.087 128 I HN 0.363 nan 8.210 nan 0.000 0.424 129 S N 0.967 116.670 115.700 0.004 0.000 2.359 129 S HA -0.240 4.230 4.470 0.000 0.000 0.224 129 S C 2.092 176.699 174.600 0.012 0.000 1.035 129 S CA 1.907 60.110 58.200 0.005 0.000 1.018 129 S CB -0.545 62.656 63.200 0.002 0.000 0.876 129 S HN 0.486 nan 8.310 nan 0.000 0.448 130 L N 2.224 123.454 121.223 0.011 0.000 2.013 130 L HA -0.146 4.194 4.340 0.000 0.000 0.212 130 L C 2.546 179.433 176.870 0.029 0.000 1.073 130 L CA 2.025 56.875 54.840 0.016 0.000 0.753 130 L CB -0.965 41.102 42.059 0.014 0.000 0.890 130 L HN 0.328 nan 8.230 nan 0.000 0.432 131 Q N 0.134 119.950 119.800 0.026 0.000 2.077 131 Q HA -0.266 4.074 4.340 0.000 0.000 0.206 131 Q C 2.234 178.257 176.000 0.039 0.000 0.989 131 Q CA 2.086 57.907 55.803 0.030 0.000 0.853 131 Q CB -0.519 28.231 28.738 0.020 0.000 0.907 131 Q HN 0.600 nan 8.270 nan 0.000 0.418 132 K N 0.527 120.947 120.400 0.033 0.000 2.152 132 K HA -0.076 4.244 4.320 0.000 0.000 0.206 132 K C 2.002 178.639 176.600 0.062 0.000 1.048 132 K CA 1.219 57.531 56.287 0.041 0.000 0.933 132 K CB -0.145 32.369 32.500 0.023 0.000 0.721 132 K HN 0.182 nan 8.250 nan 0.000 0.447 133 A N 0.402 123.258 122.820 0.060 0.000 2.067 133 A HA -0.027 4.293 4.320 0.000 0.000 0.217 133 A C 1.803 179.490 177.584 0.172 0.000 1.156 133 A CA 0.852 52.936 52.037 0.078 0.000 0.683 133 A CB -0.046 18.972 19.000 0.030 0.000 0.808 133 A HN 0.079 nan 8.150 nan 0.000 0.455 134 L N -1.433 119.886 121.223 0.160 0.000 2.375 134 L HA 0.161 4.501 4.340 0.000 0.000 0.215 134 L C 1.971 178.898 176.870 0.096 0.000 1.108 134 L CA 0.868 55.861 54.840 0.254 0.000 0.830 134 L CB -0.331 41.811 42.059 0.140 0.000 0.959 134 L HN 0.325 nan 8.230 nan 0.000 0.457 135 L N -1.010 120.241 121.223 0.047 0.000 2.298 135 L HA 0.007 4.347 4.340 0.000 0.000 0.209 135 L C 2.383 179.212 176.870 -0.067 0.000 1.084 135 L CA 1.084 55.896 54.840 -0.047 0.000 0.816 135 L CB -0.314 41.741 42.059 -0.007 0.000 0.967 135 L HN 0.335 nan 8.230 nan 0.000 0.460 136 E N -0.634 119.594 120.200 0.047 0.000 2.023 136 E HA -0.298 4.052 4.350 0.000 0.000 0.196 136 E C 2.053 178.681 176.600 0.046 0.000 1.003 136 E CA 1.617 58.053 56.400 0.061 0.000 0.809 136 E CB -0.299 29.466 29.700 0.108 0.000 0.755 136 E HN 0.699 nan 8.360 nan 0.000 0.449 137 H N -0.512 118.551 119.070 -0.012 0.000 2.521 137 H HA -0.009 4.547 4.556 0.000 0.000 0.286 137 H C 1.592 176.916 175.328 -0.006 0.000 1.034 137 H CA 0.961 57.005 56.048 -0.006 0.000 1.278 137 H CB -0.003 29.758 29.762 -0.003 0.000 1.386 137 H HN 0.228 nan 8.280 nan 0.000 0.567 138 Q N 0.440 119.938 119.800 -0.503 0.000 2.331 138 Q HA 0.073 4.413 4.340 0.000 0.000 0.203 138 Q C 0.606 176.519 176.000 -0.146 0.000 0.944 138 Q CA 0.059 55.641 55.803 -0.368 0.000 0.892 138 Q CB 0.254 28.752 28.738 -0.400 0.000 0.983 138 Q HN 0.310 nan 8.270 nan 0.000 0.482 139 L N 1.662 122.747 121.223 -0.231 0.000 2.437 139 L HA 0.039 4.379 4.340 0.000 0.000 0.243 139 L C 0.826 177.685 176.870 -0.018 0.000 1.346 139 L CA 0.140 54.763 54.840 -0.362 0.000 1.233 139 L CB -0.864 40.838 42.059 -0.595 0.000 1.436 139 L HN 0.221 nan 8.230 nan 0.000 0.416 140 C N -2.726 116.653 119.300 0.131 0.000 3.115 140 C HA 0.708 5.168 4.460 0.000 0.000 0.277 140 C C 1.048 176.112 174.990 0.123 0.000 1.460 140 C CA -0.559 58.525 59.018 0.110 0.000 1.789 140 C CB -0.581 27.197 27.740 0.063 0.000 2.674 140 C HN 0.522 nan 8.230 nan 0.000 0.582 141 G N 0.783 109.697 108.800 0.189 0.000 2.502 141 G HA2 0.555 4.515 3.960 0.000 0.000 0.305 141 G HA3 0.555 4.515 3.960 0.000 0.000 0.305 141 G C -0.728 174.181 174.900 0.014 0.000 1.190 141 G CA -0.219 44.898 45.100 0.028 0.000 0.933 141 G HN 0.261 nan 8.290 nan 0.000 0.503 142 V N 0.610 120.504 119.914 -0.034 0.000 2.509 142 V HA 0.584 4.704 4.120 0.000 0.000 0.284 142 V C -0.267 175.797 176.094 -0.050 0.000 1.047 142 V CA -0.387 61.899 62.300 -0.023 0.000 0.952 142 V CB 1.182 32.991 31.823 -0.023 0.000 0.988 142 V HN 0.510 nan 8.190 nan 0.000 0.469 143 L N 6.089 127.303 121.223 -0.016 0.000 2.506 143 L HA 0.600 4.940 4.340 0.000 0.000 0.257 143 L C -2.464 174.416 176.870 0.017 0.000 0.964 143 L CA -1.482 53.348 54.840 -0.017 0.000 0.836 143 L CB 2.639 44.699 42.059 0.000 0.000 1.384 143 L HN 0.471 nan 8.230 nan 0.000 0.410 144 P HA 0.056 nan 4.420 nan 0.000 0.257 144 P C 0.604 177.966 177.300 0.103 0.000 1.189 144 P CA 0.231 63.367 63.100 0.060 0.000 0.780 144 P CB 0.504 32.256 31.700 0.087 0.000 0.772 145 S N 2.057 117.807 115.700 0.083 0.000 2.400 145 S HA -0.086 4.384 4.470 0.000 0.000 0.232 145 S C 1.018 175.683 174.600 0.109 0.000 1.025 145 S CA 0.954 59.208 58.200 0.088 0.000 0.993 145 S CB -0.281 62.963 63.200 0.073 0.000 0.808 145 S HN 0.619 nan 8.310 nan 0.000 0.478 146 S N -1.578 114.200 115.700 0.130 0.000 2.697 146 S HA 0.627 5.097 4.470 0.000 0.000 0.289 146 S C -0.315 174.405 174.600 0.199 0.000 1.149 146 S CA -0.761 57.529 58.200 0.150 0.000 0.850 146 S CB 0.957 64.233 63.200 0.127 0.000 1.151 146 S HN 0.184 nan 8.310 nan 0.000 0.491 147 F N 1.296 121.240 119.950 -0.009 0.000 2.743 147 F HA 0.214 4.742 4.527 0.000 0.000 0.297 147 F C 1.416 177.232 175.800 0.025 0.000 1.131 147 F CA 0.704 58.603 58.000 -0.167 0.000 1.426 147 F CB 0.101 38.910 39.000 -0.319 0.000 1.116 147 F HN 0.594 nan 8.300 nan 0.000 0.583 148 D N -0.412 120.127 120.400 0.232 0.000 2.178 148 D HA -0.173 4.467 4.640 0.000 0.000 0.201 148 D C 2.464 178.857 176.300 0.156 0.000 0.980 148 D CA 1.591 55.699 54.000 0.180 0.000 0.842 148 D CB -0.396 40.480 40.800 0.125 0.000 0.948 148 D HN 0.356 nan 8.370 nan 0.000 0.472 149 S N -0.443 115.357 115.700 0.166 0.000 2.453 149 S HA -0.075 4.395 4.470 0.000 0.000 0.231 149 S C 0.827 175.481 174.600 0.092 0.000 1.005 149 S CA -0.173 58.091 58.200 0.106 0.000 0.949 149 S CB -0.477 62.763 63.200 0.065 0.000 0.774 149 S HN -0.044 nan 8.310 nan 0.000 0.510 150 F N 2.832 122.667 119.950 -0.192 0.000 2.589 150 F HA 0.454 4.981 4.527 0.000 0.000 0.352 150 F C 1.472 177.201 175.800 -0.118 0.000 1.168 150 F CA -0.037 57.810 58.000 -0.255 0.000 1.353 150 F CB 0.340 38.987 39.000 -0.587 0.000 1.116 150 F HN 0.058 nan 8.300 nan 0.000 0.608 151 R N 0.831 121.359 120.500 0.048 0.000 2.795 151 R HA 0.369 4.709 4.340 0.000 0.000 0.268 151 R C -1.677 174.648 176.300 0.043 0.000 1.041 151 R CA -1.414 54.713 56.100 0.045 0.000 0.927 151 R CB 1.248 31.550 30.300 0.002 0.000 1.235 151 R HN 0.450 nan 8.270 nan 0.000 0.463 152 L N 1.664 122.915 121.223 0.045 0.000 2.584 152 L HA 0.172 4.512 4.340 0.000 0.000 0.272 152 L C 1.095 177.975 176.870 0.018 0.000 1.195 152 L CA 1.922 56.789 54.840 0.044 0.000 0.920 152 L CB -0.122 41.961 42.059 0.040 0.000 1.173 152 L HN 0.939 nan 8.230 nan 0.000 0.489 153 G N 3.632 112.444 108.800 0.021 0.000 2.179 153 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 153 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 153 G C 0.414 175.290 174.900 -0.040 0.000 1.010 153 G CA 0.606 45.707 45.100 0.000 0.000 0.736 153 G HN 0.684 nan 8.290 nan 0.000 0.513 154 R N -2.261 118.194 120.500 -0.074 0.000 2.795 154 R HA 0.741 5.082 4.340 0.000 0.000 0.268 154 R C 0.900 177.006 176.300 -0.324 0.000 1.041 154 R CA 0.036 56.043 56.100 -0.155 0.000 0.927 154 R CB 1.039 31.264 30.300 -0.125 0.000 1.235 154 R HN 1.172 nan 8.270 nan 0.000 0.463 155 G N -0.350 108.156 108.800 -0.489 0.000 2.699 155 G HA2 -0.182 3.778 3.960 0.000 0.000 0.198 155 G HA3 -0.182 3.778 3.960 0.000 0.000 0.198 155 G C 0.166 174.448 174.900 -1.031 0.000 1.033 155 G CA -0.238 44.217 45.100 -1.075 0.000 0.728 155 G HN 0.329 nan 8.290 nan 0.000 0.484 156 L N 1.418 122.281 121.223 -0.599 0.000 2.928 156 L HA 0.367 4.707 4.340 0.000 0.000 0.246 156 L C 1.697 178.437 176.870 -0.217 0.000 1.239 156 L CA -0.123 54.508 54.840 -0.348 0.000 1.035 156 L CB 0.676 42.620 42.059 -0.191 0.000 1.360 156 L HN 0.145 nan 8.230 nan 0.000 0.529 157 E N 0.194 120.265 120.200 -0.216 0.000 2.153 157 E HA -0.144 4.206 4.350 0.000 0.000 0.194 157 E C 1.126 177.652 176.600 -0.123 0.000 0.988 157 E CA 0.939 57.251 56.400 -0.146 0.000 0.811 157 E CB -0.032 29.589 29.700 -0.133 0.000 0.746 157 E HN 0.296 nan 8.360 nan 0.000 0.466 158 N N 0.591 119.211 118.700 -0.133 0.000 2.362 158 N HA 0.031 4.771 4.740 0.000 0.000 0.211 158 N C -0.713 174.727 175.510 -0.116 0.000 1.170 158 N CA 0.185 53.169 53.050 -0.111 0.000 0.828 158 N CB 0.312 38.739 38.487 -0.100 0.000 1.034 158 N HN 0.091 nan 8.380 nan 0.000 0.475 159 S N -0.680 114.950 115.700 -0.116 0.000 2.568 159 S HA 0.470 4.940 4.470 0.000 0.000 0.293 159 S C -0.388 174.150 174.600 -0.103 0.000 1.089 159 S CA -0.895 57.237 58.200 -0.113 0.000 0.945 159 S CB 2.112 65.258 63.200 -0.090 0.000 1.077 159 S HN -0.054 nan 8.310 nan 0.000 0.485 160 L N 2.336 123.497 121.223 -0.104 0.000 2.426 160 L HA 0.444 4.784 4.340 0.000 0.000 0.271 160 L C -2.287 174.535 176.870 -0.079 0.000 1.169 160 L CA -1.420 53.368 54.840 -0.086 0.000 0.836 160 L CB -0.393 41.615 42.059 -0.085 0.000 1.112 160 L HN 0.557 nan 8.230 nan 0.000 0.465 161 P HA 0.050 nan 4.420 nan 0.000 0.266 161 P C 0.924 178.179 177.300 -0.077 0.000 1.195 161 P CA -0.058 62.998 63.100 -0.073 0.000 0.768 161 P CB 0.491 32.155 31.700 -0.059 0.000 0.838 162 L N 2.454 123.616 121.223 -0.101 0.000 2.043 162 L HA -0.258 4.082 4.340 0.000 0.000 0.212 162 L C 2.268 179.100 176.870 -0.063 0.000 1.075 162 L CA 1.921 56.699 54.840 -0.103 0.000 0.752 162 L CB -0.845 41.112 42.059 -0.170 0.000 0.891 162 L HN 0.552 nan 8.230 nan 0.000 0.432 163 E N -0.231 119.933 120.200 -0.059 0.000 2.153 163 E HA -0.161 4.189 4.350 0.000 0.000 0.194 163 E C 2.066 178.639 176.600 -0.044 0.000 0.988 163 E CA 1.348 57.719 56.400 -0.049 0.000 0.811 163 E CB -0.383 29.283 29.700 -0.055 0.000 0.746 163 E HN 0.311 nan 8.360 nan 0.000 0.466 164 V N 1.441 121.328 119.914 -0.045 0.000 2.358 164 V HA -0.209 3.911 4.120 0.000 0.000 0.246 164 V C 2.451 178.528 176.094 -0.029 0.000 1.047 164 V CA 1.396 63.673 62.300 -0.039 0.000 1.035 164 V CB -0.101 31.697 31.823 -0.042 0.000 0.658 164 V HN 0.211 nan 8.190 nan 0.000 0.452 165 V N -0.070 119.828 119.914 -0.026 0.000 2.358 165 V HA -0.232 3.888 4.120 0.000 0.000 0.246 165 V C 2.554 178.651 176.094 0.006 0.000 1.047 165 V CA 1.946 64.243 62.300 -0.006 0.000 1.035 165 V CB -0.826 30.999 31.823 0.003 0.000 0.658 165 V HN 0.446 nan 8.190 nan 0.000 0.452 166 R N 0.257 120.757 120.500 0.000 0.000 2.092 166 R HA -0.080 4.260 4.340 0.000 0.000 0.231 166 R C 2.473 178.770 176.300 -0.006 0.000 1.119 166 R CA 1.422 57.526 56.100 0.007 0.000 0.970 166 R CB -0.744 29.556 30.300 -0.000 0.000 0.864 166 R HN 0.592 nan 8.270 nan 0.000 0.440 167 G N 0.902 109.690 108.800 -0.020 0.000 2.422 167 G HA2 -0.071 3.890 3.960 0.000 0.000 0.218 167 G HA3 -0.071 3.890 3.960 0.000 0.000 0.218 167 G C 0.663 175.550 174.900 -0.021 0.000 1.140 167 G CA 0.587 45.671 45.100 -0.027 0.000 0.775 167 G HN 0.415 nan 8.290 nan 0.000 0.545 171 I N 1.292 121.846 120.570 -0.026 0.000 2.394 171 I HA 0.028 4.199 4.170 0.000 0.000 0.251 171 I C 3.036 179.133 176.117 -0.033 0.000 1.136 171 I CA 0.833 62.113 61.300 -0.033 0.000 1.425 171 I CB -0.273 37.708 38.000 -0.032 0.000 1.079 171 I HN 0.146 nan 8.210 nan 0.000 0.425 172 R N 0.720 121.205 120.500 -0.026 0.000 2.073 172 R HA -0.122 4.219 4.340 0.000 0.000 0.234 172 R C 2.297 178.578 176.300 -0.031 0.000 1.134 172 R CA 1.335 57.420 56.100 -0.024 0.000 0.952 172 R CB -0.598 29.689 30.300 -0.022 0.000 0.850 172 R HN 0.222 nan 8.270 nan 0.000 0.433 173 V N 1.445 121.341 119.914 -0.031 0.000 2.270 173 V HA -0.260 3.860 4.120 0.000 0.000 0.245 173 V C 2.182 178.252 176.094 -0.041 0.000 1.043 173 V CA 2.052 64.333 62.300 -0.032 0.000 1.014 173 V CB -0.745 31.063 31.823 -0.025 0.000 0.645 173 V HN 0.386 nan 8.190 nan 0.000 0.447 174 N N 0.961 119.634 118.700 -0.045 0.000 2.091 174 N HA -0.225 4.515 4.740 0.000 0.000 0.193 174 N C 1.897 177.350 175.510 -0.096 0.000 1.021 174 N CA 2.220 55.232 53.050 -0.062 0.000 0.862 174 N CB -0.255 38.195 38.487 -0.062 0.000 1.018 174 N HN 0.599 nan 8.380 nan 0.000 0.429 175 S N -0.321 115.326 115.700 -0.088 0.000 2.406 175 S HA -0.013 4.457 4.470 0.000 0.000 0.228 175 S C 1.984 176.529 174.600 -0.091 0.000 1.020 175 S CA 0.568 58.706 58.200 -0.104 0.000 0.965 175 S CB -0.566 62.594 63.200 -0.067 0.000 0.798 175 S HN 0.342 nan 8.310 nan 0.000 0.488 176 L N 2.335 123.522 121.223 -0.060 0.000 2.456 176 L HA -0.013 4.327 4.340 0.000 0.000 0.224 176 L C 2.643 179.476 176.870 -0.060 0.000 1.148 176 L CA 1.338 56.150 54.840 -0.046 0.000 0.825 176 L CB -1.042 41.001 42.059 -0.028 0.000 0.937 176 L HN 0.599 nan 8.230 nan 0.000 0.450 177 T N -4.104 110.405 114.554 -0.075 0.000 3.148 177 T HA -0.028 4.322 4.350 0.000 0.000 0.253 177 T C 1.661 176.306 174.700 -0.092 0.000 1.134 177 T CA 0.049 62.112 62.100 -0.062 0.000 1.051 177 T CB -0.123 68.722 68.868 -0.038 0.000 0.959 177 T HN 0.264 nan 8.240 nan 0.000 0.525 178 R N 0.845 121.234 120.500 -0.185 0.000 2.313 178 R HA 0.320 4.660 4.340 0.000 0.000 0.199 178 R C 1.623 177.634 176.300 -0.482 0.000 0.958 178 R CA 0.331 56.230 56.100 -0.335 0.000 1.047 178 R CB -0.284 29.719 30.300 -0.494 0.000 0.955 178 R HN 0.506 nan 8.270 nan 0.000 0.481 179 G N 0.956 109.615 108.800 -0.236 0.000 2.323 179 G HA2 -0.309 3.651 3.960 0.000 0.000 0.292 179 G HA3 -0.309 3.651 3.960 0.000 0.000 0.292 179 G C 0.049 174.925 174.900 -0.039 0.000 1.040 179 G CA 0.771 45.798 45.100 -0.121 0.000 0.942 179 G HN 0.642 nan 8.290 nan 0.000 0.506 180 H N -1.714 117.361 119.070 0.008 0.000 3.205 180 H HA 0.181 4.737 4.556 0.000 0.000 0.252 180 H C 2.419 177.758 175.328 0.018 0.000 1.015 180 H CA 0.414 56.465 56.048 0.005 0.000 1.192 180 H CB 0.659 30.415 29.762 -0.010 0.000 1.474 180 H HN 0.400 nan 8.280 nan 0.000 0.484 181 S N 0.518 116.293 115.700 0.124 0.000 2.425 181 S HA 0.162 4.632 4.470 0.000 0.000 0.225 181 S C 1.373 176.017 174.600 0.073 0.000 1.024 181 S CA 0.612 58.862 58.200 0.082 0.000 0.951 181 S CB 0.360 63.589 63.200 0.048 0.000 0.796 181 S HN 0.570 nan 8.310 nan 0.000 0.498 182 A N 0.677 123.539 122.820 0.071 0.000 2.971 182 A HA -0.105 4.216 4.320 0.000 0.000 0.280 182 A C 0.107 177.720 177.584 0.048 0.000 1.430 182 A CA 0.515 52.596 52.037 0.072 0.000 0.749 182 A CB -2.115 16.944 19.000 0.098 0.000 1.038 182 A HN 0.924 nan 8.150 nan 0.000 0.510 183 V N 0.442 120.375 119.914 0.032 0.000 2.448 183 V HA 0.681 4.801 4.120 0.000 0.000 0.295 183 V C 0.693 176.796 176.094 0.014 0.000 1.025 183 V CA -0.837 61.475 62.300 0.019 0.000 0.859 183 V CB 1.221 33.050 31.823 0.010 0.000 0.988 183 V HN 0.634 nan 8.190 nan 0.000 0.431 184 R N 3.770 124.278 120.500 0.013 0.000 2.619 184 R HA -0.029 4.311 4.340 0.000 0.000 0.268 184 R C 1.101 177.404 176.300 0.005 0.000 0.990 184 R CA 0.310 56.417 56.100 0.011 0.000 1.092 184 R CB 0.229 30.536 30.300 0.011 0.000 0.935 184 R HN 0.825 nan 8.270 nan 0.000 0.415 185 L N 4.767 125.994 121.223 0.007 0.000 2.191 185 L HA -0.127 4.213 4.340 0.000 0.000 0.212 185 L C 1.867 178.740 176.870 0.004 0.000 1.103 185 L CA 1.511 56.354 54.840 0.005 0.000 0.769 185 L CB -0.273 41.791 42.059 0.008 0.000 0.908 185 L HN 0.603 nan 8.230 nan 0.000 0.438 186 V N -1.517 118.401 119.914 0.007 0.000 2.759 186 V HA -0.161 3.959 4.120 0.000 0.000 0.256 186 V C 2.248 178.341 176.094 -0.002 0.000 1.080 186 V CA 1.581 63.886 62.300 0.009 0.000 1.101 186 V CB 0.037 31.868 31.823 0.013 0.000 0.698 186 V HN 0.328 nan 8.190 nan 0.000 0.477 187 V N -0.284 119.624 119.914 -0.011 0.000 2.488 187 V HA -0.103 4.018 4.120 0.000 0.000 0.246 187 V C 2.306 178.376 176.094 -0.040 0.000 1.046 187 V CA 1.591 63.873 62.300 -0.029 0.000 1.053 187 V CB -0.253 31.555 31.823 -0.026 0.000 0.679 187 V HN 0.473 nan 8.190 nan 0.000 0.458 188 L N -0.084 121.123 121.223 -0.026 0.000 2.093 188 L HA -0.135 4.206 4.340 0.000 0.000 0.208 188 L C 2.342 179.199 176.870 -0.021 0.000 1.085 188 L CA 1.727 56.550 54.840 -0.027 0.000 0.755 188 L CB -0.906 41.142 42.059 -0.017 0.000 0.904 188 L HN 0.365 nan 8.230 nan 0.000 0.435 189 E N -0.451 119.745 120.200 -0.007 0.000 2.150 189 E HA -0.174 4.176 4.350 0.000 0.000 0.193 189 E C 2.311 178.922 176.600 0.019 0.000 0.985 189 E CA 0.919 57.326 56.400 0.012 0.000 0.814 189 E CB -0.188 29.526 29.700 0.024 0.000 0.752 189 E HN 0.511 nan 8.360 nan 0.000 0.466 190 A N 1.280 124.090 122.820 -0.017 0.000 1.902 190 A HA -0.172 4.148 4.320 0.000 0.000 0.217 190 A C 2.173 179.685 177.584 -0.121 0.000 1.181 190 A CA 1.078 53.083 52.037 -0.054 0.000 0.623 190 A CB -0.565 18.357 19.000 -0.130 0.000 0.818 190 A HN 0.130 nan 8.150 nan 0.000 0.443 191 L N -0.237 120.909 121.223 -0.129 0.000 2.056 191 L HA -0.147 4.193 4.340 0.000 0.000 0.207 191 L C 2.982 179.864 176.870 0.020 0.000 1.078 191 L CA 1.812 56.585 54.840 -0.111 0.000 0.749 191 L CB -1.073 40.933 42.059 -0.088 0.000 0.901 191 L HN 0.624 nan 8.230 nan 0.000 0.433 192 T N -3.480 111.089 114.554 0.024 0.000 2.867 192 T HA -0.096 4.255 4.350 0.000 0.000 0.268 192 T C 1.702 176.441 174.700 0.065 0.000 1.057 192 T CA 1.027 63.148 62.100 0.035 0.000 1.136 192 T CB -0.361 68.515 68.868 0.014 0.000 0.874 192 T HN 0.218 nan 8.240 nan 0.000 0.466 193 N N 0.819 119.593 118.700 0.123 0.000 2.188 193 N HA 0.027 4.768 4.740 0.000 0.000 0.184 193 N C 1.430 177.110 175.510 0.283 0.000 1.018 193 N CA 0.842 54.007 53.050 0.191 0.000 0.858 193 N CB -0.542 38.122 38.487 0.295 0.000 0.989 193 N HN 0.315 nan 8.380 nan 0.000 0.426 194 F N 1.578 121.544 119.950 0.026 0.000 2.134 194 F HA -0.023 4.505 4.527 0.000 0.000 0.299 194 F C 2.284 178.063 175.800 -0.034 0.000 1.097 194 F CA 0.603 58.598 58.000 -0.008 0.000 1.264 194 F CB -0.772 38.225 39.000 -0.004 0.000 1.001 194 F HN -0.041 nan 8.300 nan 0.000 0.479 195 L N -0.357 120.965 121.223 0.165 0.000 2.017 195 L HA -0.251 4.089 4.340 0.000 0.000 0.208 195 L C 2.103 178.966 176.870 -0.012 0.000 1.073 195 L CA 1.295 56.171 54.840 0.060 0.000 0.745 195 L CB -0.708 41.376 42.059 0.041 0.000 0.894 195 L HN 0.098 nan 8.230 nan 0.000 0.432 196 N N -0.848 117.816 118.700 -0.061 0.000 2.459 196 N HA -0.136 4.604 4.740 0.000 0.000 0.181 196 N C 1.106 176.457 175.510 -0.265 0.000 1.046 196 N CA 1.069 54.020 53.050 -0.166 0.000 0.904 196 N CB -0.215 38.138 38.487 -0.224 0.000 0.964 196 N HN 0.525 nan 8.380 nan 0.000 0.444 197 H N -1.018 117.988 119.070 -0.107 0.000 2.505 197 H HA 0.280 4.837 4.556 0.000 0.000 0.289 197 H C 0.964 176.077 175.328 -0.358 0.000 1.052 197 H CA 0.118 56.004 56.048 -0.270 0.000 1.156 197 H CB 0.264 29.684 29.762 -0.570 0.000 1.507 197 H HN 0.165 nan 8.280 nan 0.000 0.548 198 G N 1.423 110.167 108.800 -0.094 0.000 2.203 198 G HA2 -0.309 3.652 3.960 0.000 0.000 0.263 198 G HA3 -0.309 3.652 3.960 0.000 0.000 0.263 198 G C 0.093 174.925 174.900 -0.114 0.000 1.012 198 G CA 0.212 45.278 45.100 -0.057 0.000 0.749 198 G HN 0.400 nan 8.290 nan 0.000 0.512 199 I N 1.497 121.928 120.570 -0.231 0.000 2.312 199 I HA 0.346 4.516 4.170 0.000 0.000 0.291 199 I C 0.146 176.221 176.117 -0.070 0.000 1.031 199 I CA -0.063 61.038 61.300 -0.332 0.000 1.293 199 I CB 1.306 38.757 38.000 -0.916 0.000 1.403 199 I HN 0.012 nan 8.210 nan 0.000 0.484 200 T N 7.130 121.714 114.554 0.049 0.000 2.840 200 T HA 0.347 4.697 4.350 0.000 0.000 0.287 200 T C -2.546 172.246 174.700 0.153 0.000 0.991 200 T CA -1.494 60.683 62.100 0.128 0.000 0.964 200 T CB 1.730 70.653 68.868 0.092 0.000 0.954 200 T HN 0.214 nan 8.240 nan 0.000 0.438 201 P HA 0.242 nan 4.420 nan 0.000 0.271 201 P C -0.367 177.002 177.300 0.115 0.000 1.216 201 P CA -0.368 62.839 63.100 0.179 0.000 0.771 201 P CB 0.383 32.205 31.700 0.203 0.000 0.864 202 I N 3.611 124.247 120.570 0.109 0.000 2.379 202 I HA 0.185 4.355 4.170 0.000 0.000 0.290 202 I C 0.519 176.644 176.117 0.013 0.000 1.063 202 I CA -0.300 61.034 61.300 0.057 0.000 1.351 202 I CB 0.501 38.546 38.000 0.075 0.000 1.410 202 I HN 0.125 nan 8.210 nan 0.000 0.505 203 V N 6.529 126.395 119.914 -0.080 0.000 2.735 203 V HA 0.648 4.769 4.120 0.000 0.000 0.310 203 V C -2.601 173.303 176.094 -0.317 0.000 1.061 203 V CA -2.390 59.756 62.300 -0.257 0.000 0.913 203 V CB 1.882 33.605 31.823 -0.165 0.000 1.005 203 V HN 0.460 nan 8.190 nan 0.000 0.428 204 P HA 0.031 nan 4.420 nan 0.000 0.265 204 P C 0.656 177.821 177.300 -0.226 0.000 1.193 204 P CA 0.005 62.904 63.100 -0.336 0.000 0.765 204 P CB 1.256 32.718 31.700 -0.397 0.000 0.823 205 L N 3.764 124.894 121.223 -0.154 0.000 2.046 205 L HA -0.075 4.266 4.340 0.000 0.000 0.208 205 L C 1.198 178.010 176.870 -0.097 0.000 1.077 205 L CA 1.883 56.656 54.840 -0.112 0.000 0.747 205 L CB -0.305 41.698 42.059 -0.093 0.000 0.896 205 L HN 0.359 nan 8.230 nan 0.000 0.432 206 R N -2.512 117.931 120.500 -0.096 0.000 2.873 206 R HA 0.594 4.934 4.340 0.000 0.000 0.264 206 R C 0.345 176.605 176.300 -0.068 0.000 1.026 206 R CA -0.032 56.026 56.100 -0.070 0.000 1.002 206 R CB 1.400 31.668 30.300 -0.054 0.000 1.174 206 R HN 0.114 nan 8.270 nan 0.000 0.488 207 G N -0.084 108.690 108.800 -0.043 0.000 2.624 207 G HA2 -0.203 3.758 3.960 0.000 0.000 0.190 207 G HA3 -0.203 3.758 3.960 0.000 0.000 0.190 207 G C 0.013 174.904 174.900 -0.016 0.000 1.008 207 G CA -0.109 44.975 45.100 -0.027 0.000 0.731 207 G HN 0.574 nan 8.290 nan 0.000 0.478 208 T N 1.078 115.619 114.554 -0.020 0.000 2.875 208 T HA 0.592 4.942 4.350 0.000 0.000 0.284 208 T C 1.669 176.368 174.700 -0.001 0.000 0.995 208 T CA -0.048 62.045 62.100 -0.010 0.000 1.060 208 T CB 0.805 69.665 68.868 -0.013 0.000 0.967 208 T HN 0.778 nan 8.240 nan 0.000 0.476 209 I N 1.033 121.607 120.570 0.008 0.000 4.018 209 I HA 0.383 4.553 4.170 0.000 0.000 0.337 209 I C 0.571 176.706 176.117 0.030 0.000 1.327 209 I CA -0.659 60.652 61.300 0.018 0.000 1.100 209 I CB -0.330 37.684 38.000 0.023 0.000 1.025 209 I HN 0.544 nan 8.210 nan 0.000 0.396 215 L N 0.663 121.874 121.223 -0.021 0.000 1.990 215 L HA -0.172 4.168 4.340 0.000 0.000 0.213 215 L C 2.368 179.225 176.870 -0.022 0.000 1.072 215 L CA 2.142 56.959 54.840 -0.038 0.000 0.755 215 L CB -0.652 41.366 42.059 -0.069 0.000 0.889 215 L HN 0.214 nan 8.230 nan 0.000 0.432 216 S N -0.595 115.102 115.700 -0.004 0.000 2.345 216 S HA -0.051 4.419 4.470 0.000 0.000 0.220 216 S C -0.440 174.257 174.600 0.163 0.000 1.031 216 S CA 1.444 59.682 58.200 0.064 0.000 0.996 216 S CB -1.122 62.114 63.200 0.060 0.000 0.882 216 S HN 0.367 nan 8.310 nan 0.000 0.445 217 P HA -0.073 nan 4.420 nan 0.000 0.216 217 P C 1.519 178.875 177.300 0.094 0.000 1.150 217 P CA 0.823 63.944 63.100 0.035 0.000 0.837 217 P CB -0.117 31.565 31.700 -0.031 0.000 0.786 218 L N 0.089 121.347 121.223 0.058 0.000 2.093 218 L HA -0.055 4.285 4.340 0.000 0.000 0.208 218 L C 2.579 179.474 176.870 0.042 0.000 1.085 218 L CA 1.736 56.599 54.840 0.038 0.000 0.755 218 L CB -1.514 40.553 42.059 0.013 0.000 0.904 218 L HN -0.095 nan 8.230 nan 0.000 0.435 219 S N -1.726 114.000 115.700 0.044 0.000 2.383 219 S HA -0.183 4.288 4.470 0.000 0.000 0.227 219 S C 1.854 176.422 174.600 -0.052 0.000 1.026 219 S CA 0.973 59.155 58.200 -0.029 0.000 0.981 219 S CB -0.424 62.717 63.200 -0.098 0.000 0.818 219 S HN 0.403 nan 8.310 nan 0.000 0.472 220 Y N 1.657 121.921 120.300 -0.060 0.000 2.274 220 Y HA -0.040 4.511 4.550 0.000 0.000 0.290 220 Y C 2.042 177.928 175.900 -0.023 0.000 1.145 220 Y CA 0.544 58.615 58.100 -0.049 0.000 1.203 220 Y CB -0.523 37.914 38.460 -0.039 0.000 0.984 220 Y HN 0.236 nan 8.280 nan 0.000 0.533 221 I N -0.904 119.736 120.570 0.116 0.000 2.202 221 I HA -0.306 3.864 4.170 0.000 0.000 0.242 221 I C 2.564 178.667 176.117 -0.023 0.000 1.091 221 I CA 1.121 62.450 61.300 0.048 0.000 1.368 221 I CB -0.638 37.377 38.000 0.024 0.000 1.058 221 I HN 0.170 nan 8.210 nan 0.000 0.410 222 A N 0.861 123.662 122.820 -0.031 0.000 1.902 222 A HA -0.160 4.161 4.320 0.000 0.000 0.217 222 A C 2.559 180.119 177.584 -0.039 0.000 1.181 222 A CA 1.840 53.846 52.037 -0.052 0.000 0.623 222 A CB -0.844 18.132 19.000 -0.041 0.000 0.818 222 A HN 0.426 nan 8.150 nan 0.000 0.443 223 A N -0.052 122.744 122.820 -0.041 0.000 1.908 223 A HA 0.105 4.426 4.320 0.000 0.000 0.218 223 A C 2.522 180.142 177.584 0.060 0.000 1.181 223 A CA 2.282 54.314 52.037 -0.008 0.000 0.627 223 A CB -1.084 17.818 19.000 -0.163 0.000 0.818 223 A HN 1.099 nan 8.150 nan 0.000 0.445 224 A N 0.673 123.530 122.820 0.062 0.000 1.883 224 A HA -0.135 4.186 4.320 0.000 0.000 0.217 224 A C 2.169 179.828 177.584 0.126 0.000 1.186 224 A CA 1.738 53.868 52.037 0.155 0.000 0.624 224 A CB -0.866 18.278 19.000 0.241 0.000 0.822 224 A HN 0.996 nan 8.150 nan 0.000 0.444 225 I N -1.705 118.799 120.570 -0.109 0.000 2.353 225 I HA -0.100 4.070 4.170 0.000 0.000 0.248 225 I C 1.981 178.075 176.117 -0.038 0.000 1.119 225 I CA 1.736 62.893 61.300 -0.238 0.000 1.417 225 I CB -0.535 37.215 38.000 -0.416 0.000 1.078 225 I HN 0.288 nan 8.210 nan 0.000 0.421 226 S N 1.212 116.907 115.700 -0.008 0.000 2.720 226 S HA 0.279 4.750 4.470 0.000 0.000 0.222 226 S C 1.456 176.093 174.600 0.061 0.000 0.958 226 S CA 0.088 58.302 58.200 0.022 0.000 0.943 226 S CB -1.024 62.188 63.200 0.019 0.000 0.779 226 S HN 0.882 nan 8.310 nan 0.000 0.526 227 G N 2.343 111.204 108.800 0.102 0.000 2.363 227 G HA2 -0.276 3.684 3.960 0.000 0.000 0.286 227 G HA3 -0.276 3.684 3.960 0.000 0.000 0.286 227 G C -0.167 174.806 174.900 0.121 0.000 0.975 227 G CA 0.235 45.410 45.100 0.125 0.000 1.309 227 G HN 0.781 nan 8.290 nan 0.000 0.491 228 H N 1.716 120.823 119.070 0.061 0.000 2.582 228 H HA 0.253 4.809 4.556 0.000 0.000 0.345 228 H C -0.996 174.383 175.328 0.085 0.000 1.104 228 H CA -1.415 54.660 56.048 0.045 0.000 1.390 228 H CB 1.353 31.122 29.762 0.012 0.000 1.461 228 H HN 0.118 nan 8.280 nan 0.000 0.551 229 P HA -0.146 nan 4.420 nan 0.000 0.216 229 P C 0.878 178.384 177.300 0.343 0.000 1.153 229 P CA 1.368 64.524 63.100 0.093 0.000 0.858 229 P CB 0.358 32.017 31.700 -0.070 0.000 0.789 230 D N -1.516 119.234 120.400 0.584 0.000 2.350 230 D HA 0.015 4.655 4.640 0.000 0.000 0.213 230 D C 0.258 176.736 176.300 0.297 0.000 1.031 230 D CA 0.186 54.453 54.000 0.446 0.000 0.861 230 D CB -0.284 40.685 40.800 0.281 0.000 0.926 230 D HN -0.058 nan 8.370 nan 0.000 0.520 231 S N 0.261 116.134 115.700 0.289 0.000 2.533 231 S HA 0.172 4.642 4.470 0.000 0.000 0.282 231 S C -0.023 174.648 174.600 0.118 0.000 1.304 231 S CA -0.092 58.194 58.200 0.142 0.000 1.063 231 S CB 0.372 63.665 63.200 0.155 0.000 0.881 231 S HN 0.009 nan 8.310 nan 0.000 0.493 232 K N 2.553 122.966 120.400 0.022 0.000 2.328 232 K HA 0.700 5.020 4.320 0.000 0.000 0.246 232 K C -0.736 175.887 176.600 0.038 0.000 0.955 232 K CA -0.949 55.287 56.287 -0.087 0.000 0.817 232 K CB 1.981 34.362 32.500 -0.198 0.000 1.208 232 K HN 0.551 nan 8.250 nan 0.000 0.432 233 V N -1.655 118.277 119.914 0.029 0.000 3.160 233 V HA 0.521 4.641 4.120 0.000 0.000 0.310 233 V C -1.234 174.908 176.094 0.080 0.000 1.181 233 V CA -0.916 61.431 62.300 0.078 0.000 1.047 233 V CB 1.789 33.648 31.823 0.060 0.000 1.068 233 V HN 0.951 nan 8.190 nan 0.000 0.441 234 H N 0.184 119.257 119.070 0.005 0.000 2.529 234 H HA 0.908 5.464 4.556 0.000 0.000 0.348 234 H C -1.027 174.289 175.328 -0.019 0.000 1.152 234 H CA -0.158 55.898 56.048 0.013 0.000 1.202 234 H CB 1.929 31.710 29.762 0.033 0.000 1.562 234 H HN 0.991 nan 8.280 nan 0.000 0.515 235 V N 4.551 124.135 119.914 -0.550 0.000 3.106 235 V HA 0.265 4.385 4.120 0.000 0.000 0.280 235 V C -1.677 174.270 176.094 -0.244 0.000 1.525 235 V CA -0.751 61.393 62.300 -0.260 0.000 0.999 235 V CB 2.016 33.765 31.823 -0.124 0.000 1.186 235 V HN 0.681 nan 8.190 nan 0.000 0.448 236 V N 5.263 125.153 119.914 -0.040 0.000 2.364 236 V HA 0.394 4.514 4.120 0.000 0.000 0.272 236 V C -0.228 175.961 176.094 0.159 0.000 1.036 236 V CA -0.338 61.985 62.300 0.038 0.000 0.880 236 V CB 1.022 32.887 31.823 0.071 0.000 0.991 236 V HN 0.925 nan 8.190 nan 0.000 0.460 237 H N 5.228 124.314 119.070 0.027 0.000 2.702 237 H HA 0.324 4.880 4.556 0.000 0.000 0.252 237 H C -0.092 175.238 175.328 0.005 0.000 1.493 237 H CA -0.307 55.759 56.048 0.030 0.000 1.273 237 H CB -0.294 29.465 29.762 -0.006 0.000 1.537 237 H HN 0.702 nan 8.280 nan 0.000 0.547 238 E N 2.922 123.025 120.200 -0.161 0.000 3.730 238 E HA -0.238 4.112 4.350 0.000 0.000 0.210 238 E C 1.143 177.699 176.600 -0.072 0.000 2.009 238 E CA 1.473 57.782 56.400 -0.152 0.000 0.925 238 E CB -1.356 28.176 29.700 -0.280 0.000 0.994 238 E HN 1.113 nan 8.360 nan 0.000 0.339 239 G N 2.523 111.310 108.800 -0.021 0.000 2.956 239 G HA2 -0.326 3.635 3.960 0.000 0.000 0.210 239 G HA3 -0.326 3.635 3.960 0.000 0.000 0.210 239 G C 0.136 175.050 174.900 0.023 0.000 1.316 239 G CA 0.595 45.695 45.100 0.000 0.000 0.819 239 G HN 0.697 nan 8.290 nan 0.000 0.544 240 K N 1.308 121.726 120.400 0.031 0.000 2.395 240 K HA 0.721 5.041 4.320 0.000 0.000 0.245 240 K C -0.494 176.133 176.600 0.044 0.000 1.017 240 K CA -0.669 55.645 56.287 0.044 0.000 0.852 240 K CB 1.953 34.478 32.500 0.041 0.000 1.311 240 K HN 0.562 nan 8.250 nan 0.000 0.452 241 E N 1.483 121.709 120.200 0.043 0.000 2.231 241 E HA 0.399 4.749 4.350 0.000 0.000 0.277 241 E C -1.058 175.517 176.600 -0.041 0.000 0.999 241 E CA -1.043 55.343 56.400 -0.023 0.000 0.827 241 E CB 1.598 31.337 29.700 0.066 0.000 1.101 241 E HN 0.490 nan 8.360 nan 0.000 0.393 242 K N 1.858 122.169 120.400 -0.148 0.000 2.466 242 K HA 0.553 4.873 4.320 0.000 0.000 0.260 242 K C -0.843 175.687 176.600 -0.117 0.000 1.011 242 K CA -0.847 55.386 56.287 -0.090 0.000 0.871 242 K CB 1.985 34.438 32.500 -0.078 0.000 1.404 242 K HN 0.434 nan 8.250 nan 0.000 0.450 243 I N 3.129 123.679 120.570 -0.033 0.000 2.466 243 I HA 0.288 4.459 4.170 0.000 0.000 0.279 243 I C -0.886 175.199 176.117 -0.054 0.000 1.033 243 I CA -0.502 60.796 61.300 -0.002 0.000 1.123 243 I CB 0.693 38.748 38.000 0.093 0.000 1.237 243 I HN 0.264 nan 8.210 nan 0.000 0.460 244 L N 4.673 125.862 121.223 -0.056 0.000 2.298 244 L HA 0.549 4.890 4.340 0.000 0.000 0.268 244 L C -0.555 176.293 176.870 -0.036 0.000 1.010 244 L CA -1.062 53.758 54.840 -0.032 0.000 0.812 244 L CB 1.020 43.075 42.059 -0.007 0.000 1.331 244 L HN 0.261 nan 8.230 nan 0.000 0.450 245 Y N -0.249 120.064 120.300 0.022 0.000 2.330 245 Y HA 0.138 4.688 4.550 0.000 0.000 0.341 245 Y C 1.270 177.204 175.900 0.057 0.000 1.278 245 Y CA 0.696 58.826 58.100 0.050 0.000 1.453 245 Y CB 1.047 39.534 38.460 0.045 0.000 1.342 245 Y HN 0.692 nan 8.280 nan 0.000 0.590 246 A N 2.313 125.291 122.820 0.263 0.000 1.849 246 A HA -0.229 4.091 4.320 0.000 0.000 0.217 246 A C 2.100 179.797 177.584 0.188 0.000 1.202 246 A CA 1.977 54.148 52.037 0.223 0.000 0.629 246 A CB -0.561 18.591 19.000 0.254 0.000 0.834 246 A HN 0.871 nan 8.150 nan 0.000 0.447 247 R N -0.561 120.044 120.500 0.174 0.000 2.285 247 R HA -0.093 4.248 4.340 0.000 0.000 0.213 247 R C 2.008 178.362 176.300 0.090 0.000 1.068 247 R CA 1.175 57.346 56.100 0.117 0.000 1.004 247 R CB -0.208 30.137 30.300 0.075 0.000 0.873 247 R HN 0.807 nan 8.270 nan 0.000 0.467 248 E N 0.943 121.210 120.200 0.112 0.000 2.170 248 E HA 0.022 4.372 4.350 0.000 0.000 0.191 248 E C 0.457 177.087 176.600 0.049 0.000 0.981 248 E CA 0.265 56.709 56.400 0.074 0.000 0.830 248 E CB 0.256 30.025 29.700 0.116 0.000 0.775 248 E HN 0.273 nan 8.360 nan 0.000 0.470 252 L N -0.129 121.089 121.223 -0.009 0.000 2.083 252 L HA 0.049 4.389 4.340 0.000 0.000 0.209 252 L C 1.529 178.228 176.870 -0.285 0.000 1.083 252 L CA 2.051 56.802 54.840 -0.148 0.000 0.752 252 L CB -0.808 41.124 42.059 -0.212 0.000 0.899 252 L HN 0.495 nan 8.230 nan 0.000 0.433 253 F N -0.657 119.205 119.950 -0.147 0.000 2.639 253 F HA 0.234 4.761 4.527 0.000 0.000 0.300 253 F C 0.876 176.554 175.800 -0.203 0.000 1.109 253 F CA -0.495 57.349 58.000 -0.260 0.000 1.335 253 F CB -0.546 38.125 39.000 -0.549 0.000 1.014 253 F HN 0.077 nan 8.300 nan 0.000 0.537 254 N N 1.182 119.893 118.700 0.019 0.000 2.747 254 N HA -0.198 4.542 4.740 0.000 0.000 0.249 254 N C -0.675 174.872 175.510 0.061 0.000 1.107 254 N CA 0.520 53.588 53.050 0.029 0.000 0.707 254 N CB -1.419 37.080 38.487 0.021 0.000 1.054 254 N HN 0.308 nan 8.380 nan 0.000 0.555 255 L N 0.651 121.924 121.223 0.082 0.000 2.309 255 L HA 0.365 4.705 4.340 0.000 0.000 0.282 255 L C 0.799 177.738 176.870 0.115 0.000 1.036 255 L CA -0.420 54.491 54.840 0.119 0.000 0.806 255 L CB 1.744 43.901 42.059 0.163 0.000 1.220 255 L HN 0.064 nan 8.230 nan 0.000 0.429 256 E N 4.022 124.285 120.200 0.105 0.000 2.175 256 E HA 0.383 4.733 4.350 0.000 0.000 0.278 256 E C -2.317 174.336 176.600 0.089 0.000 0.969 256 E CA -1.836 54.614 56.400 0.084 0.000 0.796 256 E CB 1.417 31.153 29.700 0.059 0.000 1.104 256 E HN 0.322 nan 8.360 nan 0.000 0.395 257 P HA -0.041 nan 4.420 nan 0.000 0.265 257 P C -0.738 176.586 177.300 0.040 0.000 1.193 257 P CA -0.243 62.901 63.100 0.072 0.000 0.765 257 P CB 0.538 32.278 31.700 0.067 0.000 0.823 258 V N 1.348 121.274 119.914 0.019 0.000 3.036 258 V HA 0.506 4.626 4.120 0.000 0.000 0.308 258 V C -0.267 175.829 176.094 0.005 0.000 1.070 258 V CA -0.542 61.761 62.300 0.005 0.000 1.056 258 V CB 1.583 33.397 31.823 -0.016 0.000 1.084 258 V HN 0.203 nan 8.190 nan 0.000 0.471 259 V N 3.826 123.742 119.914 0.003 0.000 2.380 259 V HA 0.372 4.493 4.120 0.000 0.000 0.286 259 V C 0.022 176.116 176.094 0.001 0.000 1.015 259 V CA -0.492 61.810 62.300 0.003 0.000 0.834 259 V CB 1.049 32.874 31.823 0.003 0.000 1.009 259 V HN 0.816 nan 8.190 nan 0.000 0.428 260 L N 4.547 125.770 121.223 0.000 0.000 2.499 260 L HA 0.415 4.755 4.340 0.000 0.000 0.273 260 L C 1.169 178.042 176.870 0.005 0.000 1.195 260 L CA 0.611 55.452 54.840 0.001 0.000 0.882 260 L CB 0.183 42.243 42.059 0.002 0.000 1.133 260 L HN 0.770 nan 8.230 nan 0.000 0.483 261 G N 3.215 112.019 108.800 0.006 0.000 2.795 261 G HA2 0.509 4.470 3.960 0.000 0.000 0.267 261 G HA3 0.509 4.470 3.960 0.000 0.000 0.267 261 G C -2.704 172.202 174.900 0.010 0.000 1.362 261 G CA -1.545 43.560 45.100 0.007 0.000 1.048 261 G HN 0.366 nan 8.290 nan 0.000 0.547 262 P HA -0.070 nan 4.420 nan 0.000 0.257 262 P C 0.545 177.856 177.300 0.018 0.000 1.153 262 P CA 0.634 63.740 63.100 0.011 0.000 0.762 262 P CB 0.495 32.198 31.700 0.005 0.000 0.743 263 K N 3.146 123.560 120.400 0.022 0.000 3.377 263 K HA -0.315 4.005 4.320 0.000 0.000 0.314 263 K C 0.992 177.610 176.600 0.029 0.000 1.246 263 K CA 1.862 58.167 56.287 0.030 0.000 0.961 263 K CB -1.044 31.477 32.500 0.036 0.000 1.233 263 K HN 0.584 nan 8.250 nan 0.000 0.428 264 E N -0.992 119.222 120.200 0.022 0.000 2.409 264 E HA -0.062 4.288 4.350 0.000 0.000 0.198 264 E C 1.656 178.264 176.600 0.013 0.000 1.024 264 E CA 0.894 57.305 56.400 0.018 0.000 0.861 264 E CB -0.117 29.591 29.700 0.012 0.000 0.788 264 E HN 0.554 nan 8.360 nan 0.000 0.521 265 G N 0.436 109.245 108.800 0.015 0.000 2.411 265 G HA2 -0.143 3.818 3.960 0.000 0.000 0.213 265 G HA3 -0.143 3.818 3.960 0.000 0.000 0.213 265 G C 1.450 176.358 174.900 0.013 0.000 1.166 265 G CA -0.077 45.030 45.100 0.011 0.000 0.802 265 G HN 0.153 nan 8.290 nan 0.000 0.533 266 L N 0.895 122.132 121.223 0.023 0.000 2.141 266 L HA 0.050 4.390 4.340 0.000 0.000 0.209 266 L C 3.006 179.894 176.870 0.029 0.000 1.094 266 L CA 0.822 55.677 54.840 0.026 0.000 0.763 266 L CB -0.360 41.721 42.059 0.038 0.000 0.908 266 L HN 0.339 nan 8.230 nan 0.000 0.437 267 G N -0.538 108.280 108.800 0.031 0.000 2.509 267 G HA2 -0.153 3.807 3.960 0.000 0.000 0.218 267 G HA3 -0.153 3.807 3.960 0.000 0.000 0.218 267 G C 1.552 176.464 174.900 0.020 0.000 1.124 267 G CA 0.373 45.493 45.100 0.033 0.000 0.776 267 G HN 0.241 nan 8.290 nan 0.000 0.547 268 L N 0.004 121.233 121.223 0.010 0.000 2.347 268 L HA 0.086 4.426 4.340 0.000 0.000 0.196 268 L C 2.870 179.739 176.870 -0.001 0.000 1.072 268 L CA 0.535 55.374 54.840 -0.002 0.000 0.817 268 L CB -0.060 41.991 42.059 -0.014 0.000 1.029 268 L HN 0.161 nan 8.230 nan 0.000 0.478 269 V N -2.928 116.983 119.914 -0.004 0.000 2.970 269 V HA 0.041 4.161 4.120 0.000 0.000 0.260 269 V C 0.978 177.068 176.094 -0.006 0.000 1.100 269 V CA 0.459 62.752 62.300 -0.011 0.000 1.122 269 V CB -0.803 31.003 31.823 -0.028 0.000 0.721 269 V HN 0.293 nan 8.190 nan 0.000 0.483 270 N N 1.458 120.164 118.700 0.009 0.000 2.513 270 N HA 0.580 5.321 4.740 0.000 0.000 0.274 270 N C 0.299 175.844 175.510 0.059 0.000 1.189 270 N CA 1.361 54.428 53.050 0.029 0.000 0.975 270 N CB 1.327 39.852 38.487 0.063 0.000 1.157 270 N HN 0.765 nan 8.380 nan 0.000 0.465 271 G N -0.896 107.965 108.800 0.102 0.000 2.381 271 G HA2 -0.114 3.846 3.960 0.000 0.000 0.672 271 G HA3 -0.114 3.846 3.960 0.000 0.000 0.672 271 G C -0.054 174.892 174.900 0.077 0.000 1.324 271 G CA -0.038 45.117 45.100 0.091 0.000 0.975 271 G HN 0.575 nan 8.290 nan 0.000 0.593 272 T N -2.417 112.170 114.554 0.055 0.000 3.182 272 T HA 0.613 4.964 4.350 0.000 0.000 0.277 272 T C 2.067 176.775 174.700 0.013 0.000 1.013 272 T CA 1.241 63.364 62.100 0.038 0.000 0.900 272 T CB 0.674 69.564 68.868 0.035 0.000 1.098 272 T HN 2.042 nan 8.240 nan 0.000 0.543 273 A N 1.344 124.168 122.820 0.007 0.000 1.948 273 A HA 0.004 4.324 4.320 0.000 0.000 0.220 273 A C 2.306 179.884 177.584 -0.009 0.000 1.177 273 A CA 1.913 53.947 52.037 -0.006 0.000 0.636 273 A CB -1.011 17.984 19.000 -0.008 0.000 0.815 273 A HN 0.481 nan 8.150 nan 0.000 0.449 274 V N -0.640 119.271 119.914 -0.005 0.000 2.453 274 V HA -0.165 3.956 4.120 0.000 0.000 0.247 274 V C 2.719 178.804 176.094 -0.015 0.000 1.048 274 V CA 2.157 64.450 62.300 -0.011 0.000 1.049 274 V CB -0.665 31.152 31.823 -0.011 0.000 0.672 274 V HN 0.549 nan 8.190 nan 0.000 0.457 275 S N 0.433 116.128 115.700 -0.008 0.000 2.357 275 S HA -0.082 4.388 4.470 0.000 0.000 0.221 275 S C 2.273 176.864 174.600 -0.015 0.000 1.031 275 S CA 1.308 59.502 58.200 -0.009 0.000 0.982 275 S CB -0.489 62.711 63.200 0.001 0.000 0.853 275 S HN 0.617 nan 8.310 nan 0.000 0.458 276 A N 1.213 124.024 122.820 -0.016 0.000 1.940 276 A HA -0.030 4.290 4.320 0.000 0.000 0.219 276 A C 1.611 179.177 177.584 -0.031 0.000 1.176 276 A CA 1.316 53.338 52.037 -0.025 0.000 0.631 276 A CB -0.733 18.251 19.000 -0.027 0.000 0.814 276 A HN 0.449 nan 8.150 nan 0.000 0.446 280 T N 1.395 115.931 114.554 -0.030 0.000 2.821 280 T HA -0.042 4.308 4.350 0.000 0.000 0.267 280 T C 1.769 176.472 174.700 0.006 0.000 1.046 280 T CA 1.640 63.725 62.100 -0.026 0.000 1.139 280 T CB -0.226 68.617 68.868 -0.041 0.000 0.871 280 T HN 0.180 nan 8.240 nan 0.000 0.454 281 L N 1.172 122.384 121.223 -0.019 0.000 2.046 281 L HA 0.067 4.407 4.340 0.000 0.000 0.208 281 L C 2.873 179.767 176.870 0.040 0.000 1.077 281 L CA 1.637 56.463 54.840 -0.023 0.000 0.747 281 L CB -1.760 40.270 42.059 -0.048 0.000 0.896 281 L HN 0.248 nan 8.230 nan 0.000 0.432 282 A N -0.589 122.241 122.820 0.016 0.000 1.898 282 A HA -0.189 4.131 4.320 0.000 0.000 0.216 282 A C 2.282 179.867 177.584 0.002 0.000 1.181 282 A CA 1.459 53.503 52.037 0.012 0.000 0.620 282 A CB -0.713 18.282 19.000 -0.008 0.000 0.819 282 A HN 0.335 nan 8.150 nan 0.000 0.442 283 L N -0.531 120.681 121.223 -0.018 0.000 2.083 283 L HA -0.184 4.156 4.340 0.000 0.000 0.209 283 L C 2.422 179.235 176.870 -0.095 0.000 1.083 283 L CA 2.616 57.389 54.840 -0.110 0.000 0.752 283 L CB -0.759 41.240 42.059 -0.100 0.000 0.899 283 L HN 0.662 nan 8.230 nan 0.000 0.433 284 H N -0.543 118.525 119.070 -0.003 0.000 2.319 284 H HA -0.170 4.386 4.556 0.000 0.000 0.299 284 H C 1.504 176.876 175.328 0.073 0.000 1.092 284 H CA 2.136 58.251 56.048 0.112 0.000 1.302 284 H CB -0.011 29.800 29.762 0.081 0.000 1.373 284 H HN 0.387 nan 8.280 nan 0.000 0.497 285 D N 0.634 121.155 120.400 0.201 0.000 2.144 285 D HA -0.044 4.596 4.640 0.000 0.000 0.200 285 D C 2.321 178.626 176.300 0.007 0.000 0.978 285 D CA 1.304 55.368 54.000 0.108 0.000 0.833 285 D CB -0.535 40.332 40.800 0.111 0.000 0.961 285 D HN 0.497 nan 8.370 nan 0.000 0.470 286 A N 1.142 123.946 122.820 -0.028 0.000 1.972 286 A HA -0.145 4.175 4.320 0.000 0.000 0.219 286 A C 1.212 178.776 177.584 -0.035 0.000 1.169 286 A CA 0.969 52.975 52.037 -0.052 0.000 0.635 286 A CB -0.579 18.361 19.000 -0.100 0.000 0.810 286 A HN 0.234 nan 8.150 nan 0.000 0.446 290 S N -0.027 115.702 115.700 0.048 0.000 2.356 290 S HA -0.066 4.404 4.470 0.000 0.000 0.223 290 S C 1.895 176.521 174.600 0.044 0.000 1.032 290 S CA 1.685 59.921 58.200 0.060 0.000 1.005 290 S CB -0.071 63.175 63.200 0.078 0.000 0.867 290 S HN 0.340 nan 8.310 nan 0.000 0.449 291 L N 0.841 122.078 121.223 0.023 0.000 2.217 291 L HA -0.017 4.323 4.340 0.000 0.000 0.211 291 L C 2.412 179.277 176.870 -0.009 0.000 1.107 291 L CA 0.610 55.449 54.840 -0.003 0.000 0.783 291 L CB -0.447 41.596 42.059 -0.026 0.000 0.919 291 L HN 0.373 nan 8.230 nan 0.000 0.442 292 L N -0.792 120.431 121.223 -0.000 0.000 2.109 292 L HA -0.144 4.197 4.340 0.000 0.000 0.207 292 L C 2.656 179.525 176.870 -0.001 0.000 1.086 292 L CA 1.825 56.663 54.840 -0.004 0.000 0.760 292 L CB -0.637 41.428 42.059 0.010 0.000 0.910 292 L HN 0.111 nan 8.230 nan 0.000 0.437 293 S N -0.967 114.751 115.700 0.030 0.000 2.370 293 S HA -0.264 4.206 4.470 0.000 0.000 0.226 293 S C 1.959 176.579 174.600 0.033 0.000 1.033 293 S CA 1.741 59.973 58.200 0.054 0.000 1.011 293 S CB -0.222 63.037 63.200 0.100 0.000 0.852 293 S HN 0.706 nan 8.310 nan 0.000 0.457 294 Q N 0.174 119.987 119.800 0.021 0.000 2.119 294 Q HA -0.018 4.323 4.340 0.000 0.000 0.201 294 Q C 2.517 178.488 176.000 -0.048 0.000 0.972 294 Q CA 1.652 57.452 55.803 -0.004 0.000 0.847 294 Q CB -0.215 28.516 28.738 -0.013 0.000 0.903 294 Q HN 0.516 nan 8.270 nan 0.000 0.433 295 S N 0.965 116.636 115.700 -0.049 0.000 2.368 295 S HA -0.073 4.397 4.470 0.000 0.000 0.224 295 S C 1.922 176.473 174.600 -0.082 0.000 1.029 295 S CA 0.839 59.002 58.200 -0.061 0.000 0.988 295 S CB -0.161 63.012 63.200 -0.044 0.000 0.838 295 S HN 0.273 nan 8.310 nan 0.000 0.462 296 L N 1.040 122.196 121.223 -0.111 0.000 2.131 296 L HA -0.115 4.225 4.340 0.000 0.000 0.210 296 L C 2.574 179.353 176.870 -0.152 0.000 1.092 296 L CA 1.018 55.714 54.840 -0.241 0.000 0.759 296 L CB -0.957 40.850 42.059 -0.420 0.000 0.903 296 L HN 0.315 nan 8.230 nan 0.000 0.435 297 T N -0.144 114.382 114.554 -0.046 0.000 2.701 297 T HA -0.006 4.344 4.350 0.000 0.000 0.263 297 T C 1.208 175.902 174.700 -0.011 0.000 1.040 297 T CA 0.766 62.883 62.100 0.028 0.000 1.147 297 T CB -0.170 68.735 68.868 0.062 0.000 0.865 297 T HN 0.407 nan 8.240 nan 0.000 0.426 301 V N 2.143 122.082 119.914 0.042 0.000 2.427 301 V HA -0.124 3.996 4.120 0.000 0.000 0.248 301 V C 2.378 178.488 176.094 0.027 0.000 1.051 301 V CA 2.153 64.500 62.300 0.079 0.000 1.048 301 V CB -0.365 31.547 31.823 0.149 0.000 0.666 301 V HN 0.513 nan 8.190 nan 0.000 0.456 302 E N 0.324 120.512 120.200 -0.019 0.000 2.017 302 E HA -0.051 4.299 4.350 0.000 0.000 0.193 302 E C 1.424 177.836 176.600 -0.313 0.000 0.997 302 E CA 0.922 57.279 56.400 -0.072 0.000 0.804 302 E CB -0.262 29.409 29.700 -0.049 0.000 0.757 302 E HN 0.623 nan 8.360 nan 0.000 0.448 306 G N -0.636 108.240 108.800 0.128 0.000 2.510 306 G HA2 0.511 4.472 3.960 0.000 0.000 0.280 306 G HA3 0.511 4.472 3.960 0.000 0.000 0.280 306 G C -0.456 174.619 174.900 0.292 0.000 1.386 306 G CA -0.482 44.762 45.100 0.239 0.000 1.047 306 G HN 0.558 nan 8.290 nan 0.000 0.527 307 H N -0.445 118.646 119.070 0.036 0.000 2.467 307 H HA 0.404 4.960 4.556 0.000 0.000 0.326 307 H C 0.816 176.196 175.328 0.085 0.000 1.094 307 H CA -0.298 55.760 56.048 0.017 0.000 1.253 307 H CB 1.973 31.736 29.762 0.001 0.000 1.439 307 H HN 0.507 nan 8.280 nan 0.000 0.479 308 A N 3.124 126.034 122.820 0.151 0.000 2.119 308 A HA -0.019 4.301 4.320 0.000 0.000 0.216 308 A C 2.388 180.172 177.584 0.334 0.000 1.152 308 A CA 0.984 53.204 52.037 0.304 0.000 0.708 308 A CB -0.558 18.497 19.000 0.092 0.000 0.805 308 A HN 0.883 nan 8.150 nan 0.000 0.460 309 G N 0.475 109.388 108.800 0.188 0.000 2.479 309 G HA2 -0.190 3.770 3.960 0.000 0.000 0.220 309 G HA3 -0.190 3.770 3.960 0.000 0.000 0.220 309 G C 1.750 176.710 174.900 0.101 0.000 1.115 309 G CA 1.446 46.653 45.100 0.178 0.000 0.757 309 G HN 0.820 nan 8.290 nan 0.000 0.560 310 S N 0.053 115.681 115.700 -0.120 0.000 2.474 310 S HA 0.079 4.549 4.470 0.000 0.000 0.235 310 S C 1.284 175.680 174.600 -0.341 0.000 0.997 310 S CA 0.278 58.265 58.200 -0.356 0.000 0.949 310 S CB -0.400 62.410 63.200 -0.650 0.000 0.766 310 S HN 0.259 nan 8.310 nan 0.000 0.517 311 F N 1.546 121.654 119.950 0.263 0.000 2.750 311 F HA 0.392 4.919 4.527 0.000 0.000 0.297 311 F C 0.904 176.866 175.800 0.271 0.000 1.138 311 F CA -0.915 57.231 58.000 0.243 0.000 1.346 311 F CB -0.165 38.889 39.000 0.089 0.000 0.965 311 F HN 0.257 nan 8.300 nan 0.000 0.514 312 H N 2.818 122.091 119.070 0.338 0.000 2.646 312 H HA 0.164 4.720 4.556 0.000 0.000 0.325 312 H C -1.841 173.693 175.328 0.345 0.000 1.075 312 H CA -2.301 53.919 56.048 0.286 0.000 1.421 312 H CB 1.744 31.637 29.762 0.218 0.000 1.461 312 H HN -0.030 nan 8.280 nan 0.000 0.525 313 P HA -0.238 nan 4.420 nan 0.000 0.219 313 P C 1.364 178.915 177.300 0.419 0.000 1.151 313 P CA 1.383 64.663 63.100 0.300 0.000 0.850 313 P CB -0.201 31.559 31.700 0.099 0.000 0.784 314 F N -0.486 119.798 119.950 0.556 0.000 2.234 314 F HA -0.073 4.454 4.527 0.000 0.000 0.299 314 F C 1.679 177.517 175.800 0.064 0.000 1.087 314 F CA 1.167 59.296 58.000 0.215 0.000 1.340 314 F CB -0.451 38.560 39.000 0.020 0.000 1.031 314 F HN -0.222 nan 8.300 nan 0.000 0.500 315 L N -0.699 120.603 121.223 0.130 0.000 2.627 315 L HA 0.002 4.342 4.340 0.000 0.000 0.233 315 L C 0.618 177.093 176.870 -0.658 0.000 1.144 315 L CA 0.440 55.126 54.840 -0.257 0.000 0.892 315 L CB -0.502 41.390 42.059 -0.279 0.000 1.039 315 L HN 0.295 nan 8.230 nan 0.000 0.442 316 H N -3.373 115.698 119.070 0.001 0.000 2.587 316 H HA 0.035 4.591 4.556 0.000 0.000 0.133 316 H C 1.211 176.519 175.328 -0.033 0.000 1.140 316 H CA -0.165 55.885 56.048 0.004 0.000 1.119 316 H CB -0.149 29.652 29.762 0.065 0.000 0.844 316 H HN -0.108 nan 8.280 nan 0.000 0.265 317 D N 1.037 121.527 120.400 0.150 0.000 2.158 317 D HA -0.143 4.497 4.640 0.000 0.000 0.197 317 D C 1.778 178.063 176.300 -0.025 0.000 0.995 317 D CA 1.697 55.733 54.000 0.060 0.000 0.846 317 D CB 0.050 40.897 40.800 0.079 0.000 0.941 317 D HN 0.130 nan 8.370 nan 0.000 0.456 318 V N 0.243 120.094 119.914 -0.104 0.000 2.339 318 V HA -0.131 3.989 4.120 0.000 0.000 0.234 318 V C 2.631 178.546 176.094 -0.298 0.000 1.053 318 V CA 1.888 64.051 62.300 -0.229 0.000 1.042 318 V CB -1.062 30.502 31.823 -0.432 0.000 0.678 318 V HN 0.331 nan 8.190 nan 0.000 0.475 319 T N -1.172 113.109 114.554 -0.454 0.000 2.915 319 T HA -0.142 4.208 4.350 0.000 0.000 0.269 319 T C 1.261 175.832 174.700 -0.215 0.000 1.071 319 T CA 1.139 63.023 62.100 -0.359 0.000 1.132 319 T CB -0.030 68.575 68.868 -0.439 0.000 0.878 319 T HN 0.356 nan 8.240 nan 0.000 0.479 320 R N 1.620 122.016 120.500 -0.174 0.000 2.754 320 R HA 0.234 4.574 4.340 0.000 0.000 0.255 320 R C -2.765 173.464 176.300 -0.118 0.000 1.723 320 R CA -1.480 54.536 56.100 -0.140 0.000 1.596 320 R CB 1.150 31.412 30.300 -0.064 0.000 1.424 320 R HN 0.111 nan 8.270 nan 0.000 0.662 321 P HA -0.073 nan 4.420 nan 0.000 0.271 321 P C -0.832 176.406 177.300 -0.103 0.000 1.601 321 P CA 0.266 63.306 63.100 -0.099 0.000 0.856 321 P CB -0.584 31.058 31.700 -0.096 0.000 1.820 322 H N 0.967 120.053 119.070 0.027 0.000 2.878 322 H HA 0.096 4.652 4.556 0.000 0.000 0.290 322 H C -1.138 174.208 175.328 0.029 0.000 1.065 322 H CA -1.435 54.627 56.048 0.023 0.000 1.477 322 H CB 0.567 30.344 29.762 0.026 0.000 1.484 322 H HN 0.094 nan 8.280 nan 0.000 0.504 323 P HA -0.249 nan 4.420 nan 0.000 0.218 323 P C 1.431 178.776 177.300 0.074 0.000 1.154 323 P CA 2.059 65.206 63.100 0.079 0.000 0.872 323 P CB 0.193 31.929 31.700 0.061 0.000 0.790 324 T N -4.501 110.102 114.554 0.082 0.000 3.088 324 T HA -0.037 4.314 4.350 0.000 0.000 0.259 324 T C 1.875 176.612 174.700 0.061 0.000 1.122 324 T CA 0.396 62.528 62.100 0.053 0.000 1.095 324 T CB -0.546 68.343 68.868 0.034 0.000 0.930 324 T HN 0.156 nan 8.240 nan 0.000 0.508 325 Q N 0.519 120.385 119.800 0.109 0.000 2.137 325 Q HA 0.079 4.420 4.340 0.000 0.000 0.198 325 Q C 2.146 178.174 176.000 0.046 0.000 0.960 325 Q CA 0.899 56.778 55.803 0.128 0.000 0.847 325 Q CB -0.239 28.649 28.738 0.250 0.000 0.915 325 Q HN 0.605 nan 8.270 nan 0.000 0.448 326 I N 0.743 121.355 120.570 0.070 0.000 2.179 326 I HA -0.277 3.894 4.170 0.000 0.000 0.242 326 I C 2.487 178.595 176.117 -0.015 0.000 1.088 326 I CA 1.506 62.824 61.300 0.030 0.000 1.357 326 I CB -0.370 37.664 38.000 0.056 0.000 1.051 326 I HN 0.378 nan 8.210 nan 0.000 0.409 327 E N 1.007 121.210 120.200 0.004 0.000 2.058 327 E HA -0.221 4.130 4.350 0.000 0.000 0.194 327 E C 2.270 178.858 176.600 -0.021 0.000 0.997 327 E CA 1.945 58.340 56.400 -0.008 0.000 0.801 327 E CB 0.073 29.773 29.700 0.001 0.000 0.746 327 E HN 0.264 nan 8.360 nan 0.000 0.450 328 V N 1.185 121.093 119.914 -0.012 0.000 2.307 328 V HA -0.230 3.890 4.120 0.000 0.000 0.245 328 V C 2.504 178.580 176.094 -0.029 0.000 1.045 328 V CA 1.782 64.080 62.300 -0.004 0.000 1.024 328 V CB -0.783 31.065 31.823 0.041 0.000 0.651 328 V HN 0.480 nan 8.190 nan 0.000 0.449 329 A N 0.543 123.306 122.820 -0.094 0.000 1.933 329 A HA -0.081 4.239 4.320 0.000 0.000 0.218 329 A C 2.405 179.956 177.584 -0.054 0.000 1.175 329 A CA 1.898 53.866 52.037 -0.115 0.000 0.628 329 A CB -1.172 17.418 19.000 -0.684 0.000 0.814 329 A HN 0.529 nan 8.150 nan 0.000 0.444 330 G N 0.013 108.775 108.800 -0.063 0.000 2.418 330 G HA2 -0.265 3.696 3.960 0.000 0.000 0.217 330 G HA3 -0.265 3.696 3.960 0.000 0.000 0.217 330 G C 1.429 176.296 174.900 -0.055 0.000 1.158 330 G CA 1.043 46.120 45.100 -0.038 0.000 0.771 330 G HN 0.529 nan 8.290 nan 0.000 0.545 331 N N 0.763 119.424 118.700 -0.066 0.000 2.084 331 N HA -0.046 4.694 4.740 0.000 0.000 0.190 331 N C 2.264 177.697 175.510 -0.128 0.000 1.030 331 N CA 0.932 53.935 53.050 -0.079 0.000 0.849 331 N CB -0.281 38.167 38.487 -0.065 0.000 1.012 331 N HN 0.353 nan 8.380 nan 0.000 0.423 332 I N 0.866 121.313 120.570 -0.205 0.000 2.252 332 I HA -0.180 3.990 4.170 0.000 0.000 0.245 332 I C 2.652 178.531 176.117 -0.396 0.000 1.102 332 I CA 0.662 61.717 61.300 -0.409 0.000 1.385 332 I CB -0.215 37.307 38.000 -0.797 0.000 1.064 332 I HN 0.099 nan 8.210 nan 0.000 0.414 333 R N 1.580 121.933 120.500 -0.245 0.000 2.094 333 R HA -0.269 4.072 4.340 0.000 0.000 0.239 333 R C 2.349 178.618 176.300 -0.051 0.000 1.137 333 R CA 2.097 58.158 56.100 -0.065 0.000 0.943 333 R CB -0.228 30.093 30.300 0.036 0.000 0.850 333 R HN 0.242 nan 8.270 nan 0.000 0.433 334 K N 0.408 120.772 120.400 -0.060 0.000 2.032 334 K HA -0.151 4.169 4.320 0.000 0.000 0.209 334 K C 2.232 178.807 176.600 -0.041 0.000 1.048 334 K CA 1.624 57.886 56.287 -0.042 0.000 0.927 334 K CB -0.161 32.312 32.500 -0.045 0.000 0.712 334 K HN 0.209 nan 8.250 nan 0.000 0.441 335 L N 0.527 121.707 121.223 -0.072 0.000 2.083 335 L HA -0.194 4.146 4.340 0.000 0.000 0.209 335 L C 2.115 178.969 176.870 -0.026 0.000 1.083 335 L CA 0.514 55.320 54.840 -0.057 0.000 0.752 335 L CB -0.263 41.742 42.059 -0.090 0.000 0.899 335 L HN 0.218 nan 8.230 nan 0.000 0.433 336 L N -0.215 120.986 121.223 -0.036 0.000 2.395 336 L HA 0.016 4.356 4.340 0.000 0.000 0.218 336 L C 1.312 178.275 176.870 0.155 0.000 1.130 336 L CA 0.729 55.597 54.840 0.047 0.000 0.826 336 L CB -0.817 41.251 42.059 0.013 0.000 0.941 336 L HN 0.235 nan 8.230 nan 0.000 0.451 337 E N -0.093 120.159 120.200 0.086 0.000 2.480 337 E HA 0.205 4.555 4.350 0.000 0.000 0.258 337 E C 1.100 177.720 176.600 0.033 0.000 0.984 337 E CA 0.744 57.177 56.400 0.054 0.000 0.930 337 E CB 0.104 29.807 29.700 0.005 0.000 0.936 337 E HN 0.400 nan 8.360 nan 0.000 0.466 338 G N 3.274 112.059 108.800 -0.024 0.000 2.159 338 G HA2 -0.307 3.653 3.960 0.000 0.000 0.256 338 G HA3 -0.307 3.653 3.960 0.000 0.000 0.256 338 G C 0.218 175.157 174.900 0.064 0.000 0.977 338 G CA 0.384 45.474 45.100 -0.017 0.000 0.652 338 G HN 0.654 nan 8.290 nan 0.000 0.531 339 S N -0.437 115.375 115.700 0.187 0.000 2.528 339 S HA 0.526 4.997 4.470 0.000 0.000 0.277 339 S C 1.543 176.306 174.600 0.271 0.000 1.297 339 S CA -0.055 58.279 58.200 0.224 0.000 1.052 339 S CB 0.654 64.001 63.200 0.246 0.000 0.917 339 S HN 0.413 nan 8.310 nan 0.000 0.492 340 R N 2.956 123.544 120.500 0.147 0.000 2.312 340 R HA 0.137 4.477 4.340 0.000 0.000 0.205 340 R C 0.605 177.015 176.300 0.183 0.000 0.904 340 R CA 0.360 56.556 56.100 0.162 0.000 1.052 340 R CB 0.017 30.412 30.300 0.159 0.000 1.014 340 R HN 0.588 nan 8.270 nan 0.000 0.503 341 F N 1.297 121.356 119.950 0.181 0.000 2.123 341 F HA 0.191 4.718 4.527 0.000 0.000 0.289 341 F C 1.593 177.427 175.800 0.057 0.000 1.099 341 F CA -0.001 58.039 58.000 0.065 0.000 1.234 341 F CB -0.670 38.294 39.000 -0.061 0.000 1.034 341 F HN -0.111 nan 8.300 nan 0.000 0.479 342 A N 0.551 123.498 122.820 0.212 0.000 2.406 342 A HA 0.417 4.737 4.320 0.000 0.000 0.243 342 A C -0.302 177.184 177.584 -0.164 0.000 1.082 342 A CA -0.321 51.717 52.037 0.003 0.000 0.786 342 A CB 0.008 18.959 19.000 -0.082 0.000 1.029 342 A HN -0.014 nan 8.150 nan 0.000 0.495 343 V N 1.821 121.601 119.914 -0.223 0.000 2.439 343 V HA 0.250 4.370 4.120 0.000 0.000 0.282 343 V C 0.402 176.245 176.094 -0.418 0.000 1.039 343 V CA 0.061 62.197 62.300 -0.273 0.000 0.913 343 V CB 0.820 32.421 31.823 -0.369 0.000 0.983 343 V HN 1.024 nan 8.190 nan 0.000 0.460 344 H N 1.903 120.909 119.070 -0.107 0.000 2.750 344 H HA 0.360 4.917 4.556 0.000 0.000 0.263 344 H C 0.161 175.176 175.328 -0.521 0.000 0.964 344 H CA 0.240 56.138 56.048 -0.250 0.000 1.205 344 H CB 0.423 30.047 29.762 -0.230 0.000 1.454 344 H HN 0.627 nan 8.280 nan 0.000 0.503 345 H N -0.451 118.668 119.070 0.081 0.000 3.037 345 H HA 0.385 4.941 4.556 0.000 0.000 0.355 345 H C -0.852 174.473 175.328 -0.004 0.000 1.263 345 H CA -0.760 55.317 56.048 0.048 0.000 1.129 345 H CB 1.921 31.722 29.762 0.065 0.000 1.861 345 H HN 0.162 nan 8.280 nan 0.000 0.546 346 E N 0.762 121.058 120.200 0.159 0.000 2.314 346 E HA 0.393 4.743 4.350 0.000 0.000 0.272 346 E C -1.040 175.595 176.600 0.059 0.000 0.884 346 E CA -0.675 55.770 56.400 0.075 0.000 0.753 346 E CB 2.719 32.457 29.700 0.064 0.000 1.213 346 E HN 0.362 nan 8.360 nan 0.000 0.432 347 E N 2.190 122.411 120.200 0.035 0.000 2.279 347 E HA 0.440 4.790 4.350 0.000 0.000 0.252 347 E C -0.725 175.883 176.600 0.014 0.000 0.894 347 E CA -0.573 55.838 56.400 0.018 0.000 0.785 347 E CB 1.605 31.309 29.700 0.008 0.000 1.237 347 E HN 0.271 nan 8.360 nan 0.000 0.418 360 Q N -0.018 119.715 119.800 -0.112 0.000 1.730 360 Q HA 0.165 4.505 4.340 0.000 0.000 0.146 360 Q C -1.345 174.548 176.000 -0.179 0.000 0.511 360 Q CA -0.481 55.257 55.803 -0.108 0.000 0.816 360 Q CB 0.598 29.301 28.738 -0.057 0.000 0.925 360 Q HN 0.544 nan 8.270 nan 0.000 0.232 361 D N 1.236 121.539 120.400 -0.161 0.000 5.148 361 D HA -0.115 4.525 4.640 0.000 0.000 0.234 361 D C -1.021 175.253 176.300 -0.043 0.000 1.348 361 D CA 0.361 54.275 54.000 -0.143 0.000 1.228 361 D CB 0.281 40.907 40.800 -0.289 0.000 0.664 361 D HN 0.178 nan 8.370 nan 0.000 0.328 362 R N 2.159 122.650 120.500 -0.014 0.000 2.679 362 R HA 0.107 4.447 4.340 0.000 0.000 0.269 362 R C 1.336 177.728 176.300 0.154 0.000 1.076 362 R CA -0.533 55.591 56.100 0.040 0.000 1.160 362 R CB 0.257 30.523 30.300 -0.056 0.000 1.054 362 R HN 0.392 nan 8.270 nan 0.000 0.507 363 Y N 1.092 121.342 120.300 -0.084 0.000 2.181 363 Y HA -0.178 4.372 4.550 0.000 0.000 0.284 363 Y C -0.732 175.104 175.900 -0.108 0.000 1.179 363 Y CA 1.225 59.273 58.100 -0.085 0.000 1.179 363 Y CB -1.857 36.550 38.460 -0.089 0.000 0.973 363 Y HN 0.586 nan 8.280 nan 0.000 0.519 364 P HA -0.190 nan 4.420 nan 0.000 0.216 364 P C 1.738 179.045 177.300 0.011 0.000 1.153 364 P CA 1.778 64.845 63.100 -0.055 0.000 0.858 364 P CB -0.070 31.581 31.700 -0.081 0.000 0.789 365 L N -1.959 119.292 121.223 0.047 0.000 2.130 365 L HA 0.078 4.418 4.340 0.000 0.000 0.200 365 L C 2.718 179.625 176.870 0.063 0.000 1.075 365 L CA 0.762 55.667 54.840 0.108 0.000 0.768 365 L CB -0.603 41.522 42.059 0.110 0.000 0.933 365 L HN -0.253 nan 8.230 nan 0.000 0.451 366 R N 0.178 120.664 120.500 -0.023 0.000 2.127 366 R HA -0.152 4.189 4.340 0.000 0.000 0.238 366 R C 1.740 177.966 176.300 -0.124 0.000 1.134 366 R CA 1.901 57.919 56.100 -0.136 0.000 0.975 366 R CB -0.076 30.163 30.300 -0.102 0.000 0.865 366 R HN 0.460 nan 8.270 nan 0.000 0.447 367 T N -2.420 112.101 114.554 -0.055 0.000 3.145 367 T HA 0.086 4.437 4.350 0.000 0.000 0.255 367 T C 1.433 176.213 174.700 0.134 0.000 1.039 367 T CA 0.258 62.350 62.100 -0.013 0.000 0.928 367 T CB 0.496 69.314 68.868 -0.083 0.000 1.029 367 T HN 0.217 nan 8.240 nan 0.000 0.554 368 S N 2.376 118.170 115.700 0.157 0.000 2.383 368 S HA -0.041 4.429 4.470 0.000 0.000 0.229 368 S C -0.768 174.008 174.600 0.294 0.000 1.030 368 S CA 0.865 59.215 58.200 0.250 0.000 1.002 368 S CB -1.671 61.702 63.200 0.288 0.000 0.829 368 S HN 0.436 nan 8.310 nan 0.000 0.467 369 P HA -0.048 nan 4.420 nan 0.000 0.218 369 P C 1.622 179.049 177.300 0.211 0.000 1.152 369 P CA 1.034 64.269 63.100 0.224 0.000 0.826 369 P CB -0.173 31.635 31.700 0.180 0.000 0.790 370 Q N -1.497 118.440 119.800 0.228 0.000 2.436 370 Q HA -0.133 4.207 4.340 0.000 0.000 0.209 370 Q C 1.851 177.958 176.000 0.180 0.000 0.965 370 Q CA 0.984 56.892 55.803 0.174 0.000 0.910 370 Q CB -1.188 27.632 28.738 0.138 0.000 0.980 370 Q HN 0.494 nan 8.270 nan 0.000 0.491 371 W N 1.335 122.663 121.300 0.047 0.000 2.539 371 W HA 0.099 4.759 4.660 0.001 0.000 0.299 371 W C 1.529 178.071 176.519 0.039 0.000 1.165 371 W CA 0.350 57.720 57.345 0.042 0.000 1.400 371 W CB 0.108 29.606 29.460 0.062 0.000 1.123 371 W HN 0.071 nan 8.180 nan 0.000 0.533 372 L N 0.575 121.951 121.223 0.255 0.000 2.179 372 L HA 0.019 4.359 4.340 0.000 0.000 0.208 372 L C 2.759 179.652 176.870 0.039 0.000 1.096 372 L CA 1.074 55.997 54.840 0.139 0.000 0.779 372 L CB -1.422 40.752 42.059 0.192 0.000 0.922 372 L HN -0.004 nan 8.230 nan 0.000 0.443 373 G N 1.363 110.189 108.800 0.045 0.000 2.529 373 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 373 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 373 G C -0.694 174.176 174.900 -0.050 0.000 1.177 373 G CA 0.932 46.039 45.100 0.011 0.000 0.773 373 G HN 0.306 nan 8.290 nan 0.000 0.573 374 P HA -0.047 nan 4.420 nan 0.000 0.216 374 P C 1.863 179.093 177.300 -0.117 0.000 1.150 374 P CA 0.631 63.636 63.100 -0.159 0.000 0.837 374 P CB -0.051 31.514 31.700 -0.225 0.000 0.786 375 L N -1.327 119.829 121.223 -0.112 0.000 2.056 375 L HA -0.122 4.218 4.340 0.000 0.000 0.207 375 L C 2.442 179.302 176.870 -0.016 0.000 1.078 375 L CA 1.637 56.433 54.840 -0.072 0.000 0.749 375 L CB -1.712 40.310 42.059 -0.062 0.000 0.901 375 L HN -0.134 nan 8.230 nan 0.000 0.433 376 V N -0.325 119.591 119.914 0.004 0.000 2.343 376 V HA -0.257 3.864 4.120 0.000 0.000 0.247 376 V C 2.586 178.708 176.094 0.047 0.000 1.051 376 V CA 1.752 64.075 62.300 0.039 0.000 1.036 376 V CB -0.875 30.971 31.823 0.039 0.000 0.654 376 V HN 0.665 nan 8.190 nan 0.000 0.451 377 S N -0.365 115.349 115.700 0.023 0.000 2.402 377 S HA -0.222 4.248 4.470 0.000 0.000 0.229 377 S C 1.641 176.280 174.600 0.065 0.000 1.021 377 S CA 1.455 59.679 58.200 0.041 0.000 0.974 377 S CB -0.465 62.743 63.200 0.013 0.000 0.800 377 S HN 0.551 nan 8.310 nan 0.000 0.484 378 D N 1.891 122.305 120.400 0.023 0.000 2.144 378 D HA 0.053 4.694 4.640 0.000 0.000 0.200 378 D C 1.920 178.277 176.300 0.094 0.000 0.978 378 D CA 0.858 54.875 54.000 0.028 0.000 0.833 378 D CB -0.348 40.434 40.800 -0.030 0.000 0.961 378 D HN 0.385 nan 8.370 nan 0.000 0.470 379 L N 0.217 121.489 121.223 0.081 0.000 2.141 379 L HA -0.058 4.282 4.340 0.000 0.000 0.209 379 L C 2.385 179.391 176.870 0.227 0.000 1.094 379 L CA 0.534 55.431 54.840 0.096 0.000 0.763 379 L CB -0.176 41.928 42.059 0.075 0.000 0.908 379 L HN 0.023 nan 8.230 nan 0.000 0.437 380 I N -1.148 119.547 120.570 0.207 0.000 2.353 380 I HA -0.282 3.888 4.170 0.000 0.000 0.248 380 I C 2.690 178.923 176.117 0.193 0.000 1.119 380 I CA 0.916 62.329 61.300 0.190 0.000 1.417 380 I CB -0.480 37.579 38.000 0.099 0.000 1.078 380 I HN 0.340 nan 8.210 nan 0.000 0.421 381 H N 1.629 120.751 119.070 0.086 0.000 2.321 381 H HA -0.133 4.424 4.556 0.000 0.000 0.300 381 H C 2.199 177.571 175.328 0.073 0.000 1.087 381 H CA 1.820 57.907 56.048 0.064 0.000 1.319 381 H CB 0.213 29.994 29.762 0.032 0.000 1.379 381 H HN 0.308 nan 8.280 nan 0.000 0.501 382 A N 0.842 123.780 122.820 0.197 0.000 1.978 382 A HA -0.219 4.102 4.320 0.000 0.000 0.220 382 A C 2.375 179.995 177.584 0.060 0.000 1.170 382 A CA 1.636 53.739 52.037 0.110 0.000 0.636 382 A CB -0.990 18.057 19.000 0.079 0.000 0.810 382 A HN 0.608 nan 8.150 nan 0.000 0.448 383 H N -0.245 118.859 119.070 0.056 0.000 2.389 383 H HA -0.006 4.550 4.556 0.000 0.000 0.299 383 H C 2.369 177.700 175.328 0.006 0.000 1.081 383 H CA 1.496 57.591 56.048 0.078 0.000 1.345 383 H CB -0.111 29.752 29.762 0.168 0.000 1.393 383 H HN 0.449 nan 8.280 nan 0.000 0.520 384 A N 0.350 123.214 122.820 0.073 0.000 1.877 384 A HA -0.110 4.210 4.320 0.000 0.000 0.216 384 A C 2.856 180.387 177.584 -0.089 0.000 1.186 384 A CA 1.619 53.644 52.037 -0.021 0.000 0.620 384 A CB -0.937 17.997 19.000 -0.110 0.000 0.822 384 A HN 0.261 nan 8.150 nan 0.000 0.443 385 V N 0.210 120.037 119.914 -0.146 0.000 2.255 385 V HA -0.269 3.851 4.120 0.000 0.000 0.247 385 V C 2.562 178.606 176.094 -0.083 0.000 1.051 385 V CA 2.055 64.286 62.300 -0.116 0.000 1.018 385 V CB -0.779 30.988 31.823 -0.094 0.000 0.641 385 V HN 0.562 nan 8.190 nan 0.000 0.445 386 L N 0.442 121.609 121.223 -0.094 0.000 2.141 386 L HA -0.134 4.206 4.340 0.000 0.000 0.209 386 L C 2.794 179.589 176.870 -0.125 0.000 1.094 386 L CA 1.883 56.658 54.840 -0.107 0.000 0.763 386 L CB -0.963 41.020 42.059 -0.126 0.000 0.908 386 L HN 0.630 nan 8.230 nan 0.000 0.437 387 T N -2.261 112.205 114.554 -0.146 0.000 2.821 387 T HA -0.127 4.223 4.350 0.000 0.000 0.267 387 T C 1.808 176.471 174.700 -0.062 0.000 1.046 387 T CA 0.841 62.877 62.100 -0.107 0.000 1.139 387 T CB -0.355 68.475 68.868 -0.063 0.000 0.871 387 T HN 0.193 nan 8.240 nan 0.000 0.454 388 I N 1.215 121.753 120.570 -0.054 0.000 2.252 388 I HA -0.090 4.080 4.170 0.000 0.000 0.245 388 I C 2.909 178.995 176.117 -0.052 0.000 1.102 388 I CA 1.762 63.037 61.300 -0.042 0.000 1.385 388 I CB -0.348 37.629 38.000 -0.038 0.000 1.064 388 I HN 0.319 nan 8.210 nan 0.000 0.414 389 E N 1.495 121.661 120.200 -0.056 0.000 2.031 389 E HA -0.191 4.159 4.350 0.000 0.000 0.193 389 E C 2.015 178.582 176.600 -0.055 0.000 0.994 389 E CA 1.889 58.258 56.400 -0.051 0.000 0.800 389 E CB -0.153 29.520 29.700 -0.046 0.000 0.752 389 E HN 0.397 nan 8.360 nan 0.000 0.447 390 A N -0.885 121.899 122.820 -0.061 0.000 2.123 390 A HA 0.225 4.546 4.320 0.000 0.000 0.214 390 A C 1.994 179.539 177.584 -0.065 0.000 1.152 390 A CA 1.118 53.120 52.037 -0.059 0.000 0.728 390 A CB -0.152 18.811 19.000 -0.061 0.000 0.814 390 A HN 0.358 nan 8.150 nan 0.000 0.464 391 G N -1.917 106.842 108.800 -0.069 0.000 3.342 391 G HA2 0.337 4.297 3.960 0.000 0.000 0.252 391 G HA3 0.337 4.297 3.960 0.000 0.000 0.252 391 G C 0.602 175.431 174.900 -0.118 0.000 1.011 391 G CA 0.139 45.194 45.100 -0.076 0.000 0.869 391 G HN 0.442 nan 8.290 nan 0.000 0.514 392 Q N 0.245 119.972 119.800 -0.123 0.000 2.055 392 Q HA 0.338 4.678 4.340 0.000 0.000 0.226 392 Q C -0.691 175.217 176.000 -0.154 0.000 0.805 392 Q CA -0.040 55.659 55.803 -0.174 0.000 1.072 392 Q CB 1.656 30.365 28.738 -0.050 0.000 1.219 392 Q HN 0.164 nan 8.270 nan 0.000 0.451 393 S N 0.455 116.077 115.700 -0.130 0.000 2.541 393 S HA 0.461 4.931 4.470 0.000 0.000 0.280 393 S C -0.675 173.888 174.600 -0.062 0.000 1.112 393 S CA -0.665 57.488 58.200 -0.079 0.000 0.925 393 S CB 2.052 65.219 63.200 -0.054 0.000 1.067 393 S HN 0.184 nan 8.310 nan 0.000 0.479 394 T N 0.617 115.163 114.554 -0.013 0.000 2.756 394 T HA 0.434 4.785 4.350 0.000 0.000 0.290 394 T C 0.690 175.400 174.700 0.017 0.000 0.985 394 T CA -0.490 61.624 62.100 0.022 0.000 0.955 394 T CB 0.301 69.247 68.868 0.130 0.000 0.930 394 T HN 0.625 nan 8.240 nan 0.000 0.451 395 T N 1.091 115.659 114.554 0.022 0.000 3.223 395 T HA 0.304 4.654 4.350 0.000 0.000 0.259 395 T C -0.002 174.762 174.700 0.106 0.000 1.015 395 T CA -0.577 61.548 62.100 0.041 0.000 0.908 395 T CB -0.323 68.570 68.868 0.041 0.000 1.054 395 T HN 0.598 nan 8.240 nan 0.000 0.567 396 D N 1.718 122.176 120.400 0.096 0.000 2.478 396 D HA 0.620 5.260 4.640 0.000 0.000 0.274 396 D C -0.113 176.291 176.300 0.174 0.000 1.234 396 D CA -0.350 53.728 54.000 0.129 0.000 1.069 396 D CB 0.433 41.285 40.800 0.087 0.000 1.113 396 D HN 0.339 nan 8.370 nan 0.000 0.571 397 N N -0.875 117.927 118.700 0.171 0.000 3.126 397 N HA 0.203 4.943 4.740 0.000 0.000 0.233 397 N C -2.990 172.594 175.510 0.123 0.000 1.069 397 N CA -1.049 52.109 53.050 0.179 0.000 1.071 397 N CB 1.452 40.172 38.487 0.388 0.000 1.683 397 N HN 0.026 nan 8.380 nan 0.000 0.586 398 P HA 0.329 nan 4.420 nan 0.000 0.276 398 P C -0.906 176.379 177.300 -0.025 0.000 1.252 398 P CA -0.397 62.659 63.100 -0.073 0.000 0.802 398 P CB 1.209 32.661 31.700 -0.413 0.000 1.035 399 L N 1.113 122.318 121.223 -0.030 0.000 2.334 399 L HA 0.445 4.785 4.340 0.000 0.000 0.276 399 L C 0.221 177.112 176.870 0.034 0.000 1.014 399 L CA -1.159 53.684 54.840 0.004 0.000 0.815 399 L CB 1.176 43.203 42.059 -0.053 0.000 1.268 399 L HN 0.211 nan 8.230 nan 0.000 0.428 400 I N 1.548 122.155 120.570 0.062 0.000 2.385 400 I HA 0.130 4.300 4.170 0.000 0.000 0.294 400 I C 0.964 177.087 176.117 0.009 0.000 0.988 400 I CA 0.195 61.541 61.300 0.077 0.000 1.265 400 I CB 1.102 39.176 38.000 0.124 0.000 1.388 400 I HN 0.573 nan 8.210 nan 0.000 0.480 401 D N 4.715 125.105 120.400 -0.016 0.000 2.354 401 D HA -0.046 4.594 4.640 0.000 0.000 0.209 401 D C 1.740 177.949 176.300 -0.150 0.000 1.015 401 D CA 1.158 55.121 54.000 -0.061 0.000 0.867 401 D CB 0.586 41.416 40.800 0.051 0.000 0.933 401 D HN 0.496 nan 8.370 nan 0.000 0.520 402 V N -0.189 119.509 119.914 -0.361 0.000 0.638 402 V HA -0.484 3.637 4.120 0.000 0.000 0.092 402 V C 1.729 177.607 176.094 -0.360 0.000 1.438 402 V CA 2.721 64.706 62.300 -0.524 0.000 3.263 402 V CB -1.625 30.062 31.823 -0.227 0.000 0.519 402 V HN 0.262 nan 8.190 nan 0.000 0.523 403 E N 1.140 121.240 120.200 -0.167 0.000 2.273 403 E HA -0.203 4.147 4.350 0.000 0.000 0.198 403 E C 1.548 178.093 176.600 -0.091 0.000 1.002 403 E CA 1.675 58.016 56.400 -0.099 0.000 0.828 403 E CB -0.331 29.340 29.700 -0.049 0.000 0.747 403 E HN 0.918 nan 8.360 nan 0.000 0.491 404 N N -0.009 118.627 118.700 -0.108 0.000 2.203 404 N HA 0.064 4.805 4.740 0.000 0.000 0.207 404 N C -0.960 174.505 175.510 -0.074 0.000 1.130 404 N CA 0.003 53.019 53.050 -0.056 0.000 0.861 404 N CB 0.523 39.006 38.487 -0.005 0.000 1.005 404 N HN -0.051 nan 8.380 nan 0.000 0.507 405 K N 0.291 120.560 120.400 -0.219 0.000 3.689 405 K HA -0.193 4.127 4.320 0.000 0.000 0.276 405 K C -0.628 176.002 176.600 0.050 0.000 0.932 405 K CA 0.636 56.800 56.287 -0.205 0.000 0.758 405 K CB -1.755 30.813 32.500 0.113 0.000 1.500 405 K HN 0.216 nan 8.250 nan 0.000 0.448 406 T N -1.431 113.097 114.554 -0.043 0.000 2.957 406 T HA 0.374 4.724 4.350 0.000 0.000 0.336 406 T C -1.580 173.138 174.700 0.029 0.000 1.462 406 T CA -0.328 61.801 62.100 0.049 0.000 1.073 406 T CB 1.973 70.799 68.868 -0.069 0.000 1.319 406 T HN 0.183 nan 8.240 nan 0.000 0.485 407 S N 1.911 117.612 115.700 0.002 0.000 2.451 407 S HA 0.666 5.136 4.470 0.000 0.000 0.301 407 S C -1.228 173.239 174.600 -0.221 0.000 1.116 407 S CA -0.439 57.751 58.200 -0.017 0.000 1.093 407 S CB 0.214 63.428 63.200 0.023 0.000 1.017 407 S HN 0.725 nan 8.310 nan 0.000 0.482 408 H N 2.564 121.557 119.070 -0.128 0.000 2.492 408 H HA 0.440 4.997 4.556 0.000 0.000 0.345 408 H C -0.485 174.707 175.328 -0.226 0.000 1.136 408 H CA -0.576 55.407 56.048 -0.107 0.000 1.202 408 H CB 0.869 30.588 29.762 -0.072 0.000 1.524 408 H HN 0.574 nan 8.280 nan 0.000 0.506 409 H N 2.302 121.447 119.070 0.125 0.000 2.638 409 H HA 0.400 4.956 4.556 0.000 0.000 0.303 409 H C 0.255 175.634 175.328 0.085 0.000 1.034 409 H CA -0.304 55.805 56.048 0.102 0.000 1.225 409 H CB 1.206 31.013 29.762 0.076 0.000 1.394 409 H HN 0.898 nan 8.280 nan 0.000 0.477 410 G N 0.850 109.729 108.800 0.132 0.000 3.247 410 G HA2 0.447 4.407 3.960 0.000 0.000 0.226 410 G HA3 0.447 4.407 3.960 0.000 0.000 0.226 410 G C -0.006 174.839 174.900 -0.092 0.000 1.220 410 G CA -0.429 44.687 45.100 0.026 0.000 0.875 410 G HN 0.500 nan 8.290 nan 0.000 0.606 411 G N -0.587 108.003 108.800 -0.350 0.000 4.803 411 G HA2 0.209 4.169 3.960 0.000 0.000 0.266 411 G HA3 0.209 4.169 3.960 0.000 0.000 0.266 411 G C 0.252 174.540 174.900 -1.021 0.000 1.111 411 G CA -0.274 44.212 45.100 -1.023 0.000 0.874 411 G HN 0.481 nan 8.290 nan 0.000 0.555 412 N N 0.408 118.759 118.700 -0.582 0.000 2.609 412 N HA -0.026 4.715 4.740 0.000 0.000 0.190 412 N C 1.309 176.687 175.510 -0.219 0.000 1.157 412 N CA 0.527 53.392 53.050 -0.309 0.000 0.918 412 N CB -0.069 38.333 38.487 -0.142 0.000 0.978 412 N HN 0.591 nan 8.380 nan 0.000 0.448 413 F N -0.375 119.580 119.950 0.008 0.000 2.776 413 F HA 0.276 4.804 4.527 0.000 0.000 0.300 413 F C 0.847 176.652 175.800 0.007 0.000 1.116 413 F CA -0.565 57.440 58.000 0.008 0.000 1.375 413 F CB -0.508 38.502 39.000 0.016 0.000 1.109 413 F HN -0.192 nan 8.300 nan 0.000 0.585 414 Q N 2.482 122.253 119.800 -0.049 0.000 2.431 414 Q HA 0.420 4.761 4.340 0.000 0.000 0.234 414 Q C 0.508 176.522 176.000 0.023 0.000 1.203 414 Q CA -0.025 55.809 55.803 0.051 0.000 0.902 414 Q CB 0.538 29.236 28.738 -0.066 0.000 1.455 414 Q HN 0.378 nan 8.270 nan 0.000 0.515 415 A N 3.666 126.523 122.820 0.062 0.000 2.478 415 A HA 0.288 4.608 4.320 0.000 0.000 0.239 415 A C 1.423 179.019 177.584 0.019 0.000 1.480 415 A CA 0.621 52.677 52.037 0.031 0.000 1.308 415 A CB -0.724 18.299 19.000 0.037 0.000 0.899 415 A HN 0.827 nan 8.150 nan 0.000 0.600 416 A N -0.152 122.675 122.820 0.012 0.000 2.067 416 A HA 0.185 4.505 4.320 0.000 0.000 0.219 416 A C 2.311 179.900 177.584 0.008 0.000 1.158 416 A CA 1.595 53.639 52.037 0.010 0.000 0.661 416 A CB -0.408 18.595 19.000 0.005 0.000 0.801 416 A HN 1.049 nan 8.150 nan 0.000 0.452 417 A N -0.270 122.551 122.820 0.002 0.000 1.873 417 A HA 0.016 4.337 4.320 0.000 0.000 0.215 417 A C 2.325 179.912 177.584 0.005 0.000 1.186 417 A CA 1.816 53.856 52.037 0.004 0.000 0.616 417 A CB -1.060 17.935 19.000 -0.009 0.000 0.823 417 A HN 1.150 nan 8.150 nan 0.000 0.442 418 V N -1.455 118.459 119.914 -0.000 0.000 2.719 418 V HA 0.093 4.213 4.120 0.000 0.000 0.252 418 V C 2.352 178.447 176.094 0.002 0.000 1.065 418 V CA 1.849 64.147 62.300 -0.004 0.000 1.086 418 V CB -0.688 31.130 31.823 -0.009 0.000 0.700 418 V HN 0.527 nan 8.190 nan 0.000 0.467 419 A N 1.007 123.831 122.820 0.007 0.000 1.873 419 A HA -0.217 4.103 4.320 0.000 0.000 0.215 419 A C 2.288 179.877 177.584 0.008 0.000 1.186 419 A CA 1.848 53.890 52.037 0.008 0.000 0.616 419 A CB -1.097 17.911 19.000 0.013 0.000 0.823 419 A HN 0.686 nan 8.150 nan 0.000 0.442 420 N N 0.395 119.103 118.700 0.013 0.000 2.094 420 N HA -0.130 4.610 4.740 0.000 0.000 0.191 420 N C 1.124 176.647 175.510 0.021 0.000 1.023 420 N CA 1.876 54.936 53.050 0.017 0.000 0.857 420 N CB -0.465 38.038 38.487 0.027 0.000 1.013 420 N HN 0.595 nan 8.380 nan 0.000 0.426 424 K N 1.097 121.488 120.400 -0.016 0.000 2.057 424 K HA 0.023 4.343 4.320 0.000 0.000 0.206 424 K C 2.015 178.601 176.600 -0.025 0.000 1.050 424 K CA 1.899 58.170 56.287 -0.026 0.000 0.935 424 K CB -0.114 32.372 32.500 -0.024 0.000 0.715 424 K HN -0.013 nan 8.250 nan 0.000 0.439 425 T N 0.838 115.381 114.554 -0.019 0.000 2.746 425 T HA -0.143 4.207 4.350 0.000 0.000 0.267 425 T C 1.841 176.530 174.700 -0.017 0.000 1.039 425 T CA 1.194 63.280 62.100 -0.023 0.000 1.142 425 T CB -0.119 68.730 68.868 -0.033 0.000 0.866 425 T HN 0.230 nan 8.240 nan 0.000 0.444 426 R N 0.264 120.756 120.500 -0.014 0.000 2.096 426 R HA -0.028 4.313 4.340 0.000 0.000 0.235 426 R C 2.312 178.609 176.300 -0.004 0.000 1.127 426 R CA 0.944 57.039 56.100 -0.008 0.000 0.968 426 R CB -0.373 29.919 30.300 -0.013 0.000 0.861 426 R HN 0.263 nan 8.270 nan 0.000 0.440 427 L N -0.034 121.181 121.223 -0.014 0.000 2.093 427 L HA 0.076 4.416 4.340 0.000 0.000 0.208 427 L C 2.049 178.912 176.870 -0.012 0.000 1.085 427 L CA 2.204 57.035 54.840 -0.015 0.000 0.755 427 L CB -0.910 41.129 42.059 -0.032 0.000 0.904 427 L HN 0.224 nan 8.230 nan 0.000 0.435 428 G N -0.399 108.389 108.800 -0.020 0.000 2.422 428 G HA2 -0.214 3.747 3.960 0.000 0.000 0.218 428 G HA3 -0.214 3.747 3.960 0.000 0.000 0.218 428 G C 1.589 176.504 174.900 0.026 0.000 1.146 428 G CA 1.000 46.090 45.100 -0.016 0.000 0.769 428 G HN 0.438 nan 8.290 nan 0.000 0.547 429 L N 0.513 121.753 121.223 0.028 0.000 2.141 429 L HA -0.007 4.333 4.340 0.000 0.000 0.209 429 L C 3.282 180.199 176.870 0.079 0.000 1.094 429 L CA 0.873 55.743 54.840 0.050 0.000 0.763 429 L CB -0.262 41.817 42.059 0.033 0.000 0.908 429 L HN 0.310 nan 8.230 nan 0.000 0.437 430 A N -0.850 122.012 122.820 0.071 0.000 2.016 430 A HA -0.126 4.194 4.320 0.000 0.000 0.217 430 A C 2.220 179.898 177.584 0.156 0.000 1.162 430 A CA 0.812 52.906 52.037 0.095 0.000 0.662 430 A CB -0.137 18.904 19.000 0.068 0.000 0.812 430 A HN 0.408 nan 8.150 nan 0.000 0.450 431 Q N -0.457 119.438 119.800 0.159 0.000 2.212 431 Q HA 0.060 4.400 4.340 0.000 0.000 0.199 431 Q C 1.984 178.258 176.000 0.457 0.000 0.950 431 Q CA 0.891 56.870 55.803 0.292 0.000 0.863 431 Q CB -0.179 28.578 28.738 0.033 0.000 0.944 431 Q HN 0.736 nan 8.270 nan 0.000 0.465 432 I N 0.578 121.315 120.570 0.278 0.000 2.353 432 I HA -0.139 4.031 4.170 0.000 0.000 0.248 432 I C 2.299 178.566 176.117 0.249 0.000 1.119 432 I CA 1.137 62.600 61.300 0.271 0.000 1.417 432 I CB -0.500 37.604 38.000 0.172 0.000 1.078 432 I HN 0.196 nan 8.210 nan 0.000 0.421 433 G N 0.926 109.853 108.800 0.212 0.000 2.408 433 G HA2 -0.284 3.676 3.960 0.000 0.000 0.217 433 G HA3 -0.284 3.676 3.960 0.000 0.000 0.217 433 G C 1.663 176.701 174.900 0.231 0.000 1.150 433 G CA 0.798 46.019 45.100 0.202 0.000 0.776 433 G HN 0.202 nan 8.290 nan 0.000 0.542 434 K N 0.143 120.687 120.400 0.239 0.000 2.057 434 K HA 0.023 4.344 4.320 0.000 0.000 0.206 434 K C 2.263 178.953 176.600 0.150 0.000 1.050 434 K CA 0.909 57.333 56.287 0.228 0.000 0.935 434 K CB -0.644 32.014 32.500 0.263 0.000 0.715 434 K HN 0.225 nan 8.250 nan 0.000 0.439 435 L N 1.324 122.605 121.223 0.097 0.000 1.976 435 L HA -0.156 4.185 4.340 0.000 0.000 0.209 435 L C 1.445 178.322 176.870 0.011 0.000 1.071 435 L CA 2.157 56.923 54.840 -0.122 0.000 0.746 435 L CB -0.952 41.067 42.059 -0.067 0.000 0.890 435 L HN 0.353 nan 8.230 nan 0.000 0.432 436 N N -1.605 117.178 118.700 0.138 0.000 2.223 436 N HA -0.241 4.499 4.740 0.000 0.000 0.185 436 N C 1.719 177.262 175.510 0.054 0.000 1.016 436 N CA 1.394 54.556 53.050 0.187 0.000 0.863 436 N CB -0.328 38.352 38.487 0.321 0.000 0.983 436 N HN 0.400 nan 8.380 nan 0.000 0.429 437 F N 1.940 121.882 119.950 -0.013 0.000 2.113 437 F HA -0.175 4.352 4.527 0.000 0.000 0.297 437 F C 2.576 178.313 175.800 -0.105 0.000 1.103 437 F CA 1.633 59.597 58.000 -0.059 0.000 1.248 437 F CB -0.972 38.021 39.000 -0.011 0.000 0.999 437 F HN 0.025 nan 8.300 nan 0.000 0.475 438 T N -1.434 112.977 114.554 -0.237 0.000 2.788 438 T HA -0.240 4.110 4.350 0.000 0.000 0.268 438 T C 1.765 176.265 174.700 -0.334 0.000 1.044 438 T CA 1.647 63.540 62.100 -0.344 0.000 1.139 438 T CB -0.766 67.997 68.868 -0.175 0.000 0.867 438 T HN 0.527 nan 8.240 nan 0.000 0.454 439 Q N 0.552 120.213 119.800 -0.233 0.000 2.046 439 Q HA 0.058 4.398 4.340 0.000 0.000 0.200 439 Q C 2.416 178.243 176.000 -0.287 0.000 0.975 439 Q CA 1.324 57.027 55.803 -0.168 0.000 0.836 439 Q CB -0.416 28.321 28.738 -0.002 0.000 0.896 439 Q HN 0.439 nan 8.270 nan 0.000 0.428 440 L N 0.505 121.423 121.223 -0.509 0.000 2.017 440 L HA -0.142 4.198 4.340 0.000 0.000 0.208 440 L C 2.333 178.949 176.870 -0.423 0.000 1.073 440 L CA 2.170 56.660 54.840 -0.584 0.000 0.745 440 L CB -1.008 40.607 42.059 -0.739 0.000 0.894 440 L HN 0.120 nan 8.230 nan 0.000 0.432 441 T N -0.858 113.342 114.554 -0.590 0.000 2.867 441 T HA -0.151 4.199 4.350 0.000 0.000 0.268 441 T C 1.056 175.561 174.700 -0.325 0.000 1.057 441 T CA 0.815 62.599 62.100 -0.527 0.000 1.136 441 T CB -0.238 68.084 68.868 -0.910 0.000 0.874 441 T HN 0.602 nan 8.240 nan 0.000 0.466 445 N N 1.606 120.255 118.700 -0.085 0.000 2.462 445 N HA 0.363 5.104 4.740 0.000 0.000 0.242 445 N C 0.985 176.463 175.510 -0.053 0.000 1.010 445 N CA 0.732 53.742 53.050 -0.067 0.000 0.939 445 N CB 1.975 40.413 38.487 -0.082 0.000 1.127 445 N HN 0.224 nan 8.380 nan 0.000 0.509 446 A N 3.255 126.053 122.820 -0.036 0.000 1.958 446 A HA -0.068 4.252 4.320 0.000 0.000 0.221 446 A C 1.188 178.750 177.584 -0.037 0.000 1.178 446 A CA 1.769 53.786 52.037 -0.032 0.000 0.642 446 A CB -0.877 18.116 19.000 -0.013 0.000 0.816 446 A HN 0.621 nan 8.150 nan 0.000 0.453 450 R N 1.036 121.512 120.500 -0.040 0.000 3.188 450 R HA -0.108 4.232 4.340 0.000 0.000 0.247 450 R C 1.119 177.400 176.300 -0.033 0.000 0.918 450 R CA 1.716 57.800 56.100 -0.027 0.000 0.629 450 R CB -1.698 28.599 30.300 -0.004 0.000 1.087 450 R HN 1.167 nan 8.270 nan 0.000 0.462 451 G N -0.915 107.853 108.800 -0.053 0.000 2.279 451 G HA2 -0.316 3.644 3.960 0.000 0.000 0.223 451 G HA3 -0.316 3.644 3.960 0.000 0.000 0.223 451 G C 0.300 175.155 174.900 -0.075 0.000 1.015 451 G CA -0.079 44.981 45.100 -0.067 0.000 0.621 451 G HN 0.354 nan 8.290 nan 0.000 0.506 452 L N 2.444 123.625 121.223 -0.070 0.000 2.529 452 L HA 0.264 4.604 4.340 0.000 0.000 0.287 452 L C -1.582 175.249 176.870 -0.066 0.000 1.241 452 L CA -1.246 53.549 54.840 -0.076 0.000 0.857 452 L CB 0.168 42.178 42.059 -0.080 0.000 1.113 452 L HN 0.020 nan 8.230 nan 0.000 0.504 453 P HA -0.044 nan 4.420 nan 0.000 0.266 453 P C 0.579 177.866 177.300 -0.022 0.000 1.195 453 P CA 0.225 63.299 63.100 -0.043 0.000 0.768 453 P CB 0.967 32.646 31.700 -0.035 0.000 0.838 454 S N 2.390 118.082 115.700 -0.013 0.000 2.444 454 S HA -0.305 4.165 4.470 0.000 0.000 0.274 454 S C 1.062 175.674 174.600 0.021 0.000 1.130 454 S CA 2.219 60.424 58.200 0.008 0.000 1.243 454 S CB -0.778 62.435 63.200 0.022 0.000 1.166 454 S HN 0.620 nan 8.310 nan 0.000 0.439 455 C N 0.736 120.060 119.300 0.040 0.000 2.849 455 C HA 0.598 5.058 4.460 0.000 0.000 0.271 455 C C 0.084 175.115 174.990 0.067 0.000 1.519 455 C CA -0.439 58.614 59.018 0.059 0.000 1.783 455 C CB -0.683 27.127 27.740 0.117 0.000 2.869 455 C HN 0.691 nan 8.230 nan 0.000 0.527 456 L N 0.326 121.581 121.223 0.054 0.000 3.938 456 L HA -0.182 4.158 4.340 0.000 0.000 0.405 456 L C 0.884 177.886 176.870 0.220 0.000 1.202 456 L CA 0.966 55.860 54.840 0.089 0.000 0.920 456 L CB -2.046 40.040 42.059 0.045 0.000 2.054 456 L HN 0.559 nan 8.230 nan 0.000 0.815 457 A N -0.711 122.185 122.820 0.127 0.000 2.401 457 A HA 0.726 5.047 4.320 0.000 0.000 0.259 457 A C 1.496 179.092 177.584 0.021 0.000 1.103 457 A CA 0.352 52.433 52.037 0.073 0.000 0.789 457 A CB 0.801 19.792 19.000 -0.015 0.000 1.035 457 A HN 0.712 nan 8.150 nan 0.000 0.491 458 A N 1.811 124.630 122.820 -0.001 0.000 1.897 458 A HA 0.083 4.404 4.320 0.000 0.000 0.215 458 A C 1.225 178.763 177.584 -0.077 0.000 1.181 458 A CA 1.167 53.228 52.037 0.040 0.000 0.620 458 A CB -0.236 18.848 19.000 0.141 0.000 0.821 458 A HN 0.793 nan 8.150 nan 0.000 0.443 459 E N 0.283 120.377 120.200 -0.176 0.000 2.819 459 E HA 0.213 4.564 4.350 0.000 0.000 0.241 459 E C -0.931 175.600 176.600 -0.115 0.000 0.987 459 E CA -0.943 55.328 56.400 -0.214 0.000 1.024 459 E CB -0.374 29.112 29.700 -0.356 0.000 1.448 459 E HN 0.201 nan 8.360 nan 0.000 0.484 460 D N 2.112 122.466 120.400 -0.077 0.000 2.581 460 D HA -0.028 4.613 4.640 0.000 0.000 0.238 460 D C -1.576 174.666 176.300 -0.098 0.000 1.145 460 D CA -0.642 53.327 54.000 -0.052 0.000 0.866 460 D CB 0.484 41.276 40.800 -0.013 0.000 1.151 460 D HN 0.038 nan 8.370 nan 0.000 0.500 461 P HA -0.140 nan 4.420 nan 0.000 0.220 461 P C 1.400 178.577 177.300 -0.204 0.000 1.148 461 P CA 0.940 63.956 63.100 -0.140 0.000 0.803 461 P CB 0.151 31.817 31.700 -0.057 0.000 0.782 462 S N -1.006 114.628 115.700 -0.110 0.000 2.440 462 S HA -0.116 4.354 4.470 0.000 0.000 0.238 462 S C 1.227 175.761 174.600 -0.110 0.000 1.010 462 S CA 1.141 59.302 58.200 -0.064 0.000 0.972 462 S CB -1.085 62.101 63.200 -0.023 0.000 0.774 462 S HN 0.151 nan 8.310 nan 0.000 0.501 463 L N 0.782 121.872 121.223 -0.222 0.000 3.393 463 L HA 0.461 4.801 4.340 0.000 0.000 0.319 463 L C -0.106 176.530 176.870 -0.391 0.000 1.309 463 L CA -0.230 54.478 54.840 -0.220 0.000 0.962 463 L CB 1.096 43.122 42.059 -0.055 0.000 1.391 463 L HN 0.221 nan 8.230 nan 0.000 0.607 464 S N -0.415 114.818 115.700 -0.779 0.000 2.652 464 S HA 0.465 4.935 4.470 0.000 0.000 0.273 464 S C -1.047 173.102 174.600 -0.751 0.000 1.172 464 S CA -0.267 57.582 58.200 -0.585 0.000 1.009 464 S CB 0.643 63.692 63.200 -0.252 0.000 1.094 464 S HN 0.261 nan 8.310 nan 0.000 0.471 465 Y N 4.230 124.574 120.300 0.074 0.000 2.672 465 Y HA 0.361 4.911 4.550 0.000 0.000 0.272 465 Y C 1.501 177.480 175.900 0.131 0.000 1.055 465 Y CA -0.562 57.584 58.100 0.076 0.000 1.151 465 Y CB -0.713 37.773 38.460 0.043 0.000 1.190 465 Y HN 0.932 nan 8.280 nan 0.000 0.574 466 H N 0.104 119.227 119.070 0.088 0.000 2.121 466 H HA -0.380 4.177 4.556 0.000 0.000 0.237 466 H C 0.728 176.140 175.328 0.141 0.000 1.154 466 H CA 2.387 58.502 56.048 0.111 0.000 1.387 466 H CB -0.123 29.696 29.762 0.094 0.000 1.669 466 H HN 0.497 nan 8.280 nan 0.000 0.672 467 C N 1.229 120.530 119.300 0.001 0.000 2.855 467 C HA 0.144 4.604 4.460 0.000 0.000 0.279 467 C C 2.311 177.305 174.990 0.006 0.000 1.270 467 C CA -0.352 58.616 59.018 -0.083 0.000 1.702 467 C CB -0.514 27.132 27.740 -0.157 0.000 1.949 467 C HN 0.534 nan 8.230 nan 0.000 0.618 468 K N 1.929 122.367 120.400 0.064 0.000 2.044 468 K HA -0.171 4.149 4.320 0.000 0.000 0.210 468 K C 2.126 178.734 176.600 0.013 0.000 1.049 468 K CA 2.064 58.380 56.287 0.047 0.000 0.927 468 K CB -0.488 32.059 32.500 0.077 0.000 0.713 468 K HN 0.547 nan 8.250 nan 0.000 0.443 469 G N 1.193 110.002 108.800 0.015 0.000 2.422 469 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 469 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 469 G C 1.520 176.399 174.900 -0.036 0.000 1.146 469 G CA 0.629 45.720 45.100 -0.016 0.000 0.769 469 G HN 0.229 nan 8.290 nan 0.000 0.547 470 L N 0.150 121.360 121.223 -0.022 0.000 2.141 470 L HA -0.025 4.315 4.340 0.000 0.000 0.209 470 L C 2.495 179.363 176.870 -0.002 0.000 1.094 470 L CA 1.231 56.061 54.840 -0.017 0.000 0.763 470 L CB -0.307 41.753 42.059 0.001 0.000 0.908 470 L HN 0.180 nan 8.230 nan 0.000 0.437 471 D N 0.570 120.970 120.400 0.001 0.000 2.144 471 D HA -0.175 4.465 4.640 0.000 0.000 0.199 471 D C 2.144 178.476 176.300 0.052 0.000 0.984 471 D CA 1.235 55.250 54.000 0.025 0.000 0.834 471 D CB 0.094 40.893 40.800 -0.002 0.000 0.955 471 D HN 0.255 nan 8.370 nan 0.000 0.465 472 I N 0.189 120.751 120.570 -0.015 0.000 2.233 472 I HA -0.159 4.011 4.170 0.000 0.000 0.243 472 I C 2.474 178.494 176.117 -0.163 0.000 1.093 472 I CA 0.918 62.183 61.300 -0.058 0.000 1.380 472 I CB -0.370 37.588 38.000 -0.071 0.000 1.067 472 I HN 0.012 nan 8.210 nan 0.000 0.413 473 A N 0.946 123.626 122.820 -0.233 0.000 1.933 473 A HA -0.154 4.166 4.320 0.000 0.000 0.218 473 A C 2.541 179.635 177.584 -0.816 0.000 1.175 473 A CA 1.823 53.530 52.037 -0.550 0.000 0.628 473 A CB -0.741 18.003 19.000 -0.426 0.000 0.814 473 A HN 0.435 nan 8.150 nan 0.000 0.444 474 A N -0.169 122.496 122.820 -0.259 0.000 1.933 474 A HA 0.163 4.483 4.320 0.000 0.000 0.218 474 A C 2.476 179.972 177.584 -0.145 0.000 1.175 474 A CA 2.015 54.078 52.037 0.045 0.000 0.628 474 A CB -0.907 18.302 19.000 0.349 0.000 0.814 474 A HN 1.025 nan 8.150 nan 0.000 0.444 475 A N -0.190 122.482 122.820 -0.247 0.000 1.898 475 A HA 0.216 4.537 4.320 0.000 0.000 0.216 475 A C 2.490 179.819 177.584 -0.425 0.000 1.181 475 A CA 1.876 53.536 52.037 -0.628 0.000 0.620 475 A CB -0.960 17.861 19.000 -0.298 0.000 0.819 475 A HN 1.023 nan 8.150 nan 0.000 0.442 476 A N -0.989 121.615 122.820 -0.360 0.000 1.902 476 A HA -0.120 4.200 4.320 0.000 0.000 0.217 476 A C 2.106 179.599 177.584 -0.152 0.000 1.181 476 A CA 1.511 53.376 52.037 -0.286 0.000 0.623 476 A CB -0.881 17.910 19.000 -0.349 0.000 0.818 476 A HN 0.686 nan 8.150 nan 0.000 0.443 477 Y N 0.009 120.251 120.300 -0.097 0.000 2.200 477 Y HA -0.167 4.384 4.550 0.000 0.000 0.290 477 Y C 2.997 178.850 175.900 -0.078 0.000 1.137 477 Y CA 1.080 59.143 58.100 -0.061 0.000 1.163 477 Y CB -0.645 37.803 38.460 -0.020 0.000 0.988 477 Y HN 0.262 nan 8.280 nan 0.000 0.518 478 T N -0.709 113.838 114.554 -0.012 0.000 2.746 478 T HA -0.184 4.166 4.350 0.000 0.000 0.267 478 T C 2.065 176.714 174.700 -0.086 0.000 1.039 478 T CA 1.573 63.614 62.100 -0.099 0.000 1.142 478 T CB -0.383 68.253 68.868 -0.387 0.000 0.866 478 T HN 0.248 nan 8.240 nan 0.000 0.444 479 S N 0.789 116.410 115.700 -0.130 0.000 2.368 479 S HA -0.124 4.346 4.470 0.000 0.000 0.225 479 S C 2.080 176.679 174.600 -0.002 0.000 1.030 479 S CA 1.149 59.303 58.200 -0.076 0.000 0.999 479 S CB -0.264 62.874 63.200 -0.103 0.000 0.844 479 S HN 0.603 nan 8.310 nan 0.000 0.459 480 E N 0.790 121.000 120.200 0.017 0.000 2.106 480 E HA -0.085 4.265 4.350 0.000 0.000 0.192 480 E C 1.894 178.548 176.600 0.090 0.000 0.984 480 E CA 0.699 57.135 56.400 0.060 0.000 0.806 480 E CB -0.116 29.625 29.700 0.068 0.000 0.750 480 E HN 0.423 nan 8.360 nan 0.000 0.458 481 L N -0.074 121.192 121.223 0.071 0.000 2.131 481 L HA -0.091 4.249 4.340 0.000 0.000 0.210 481 L C 2.485 179.393 176.870 0.062 0.000 1.092 481 L CA 1.006 55.886 54.840 0.067 0.000 0.759 481 L CB -0.501 41.600 42.059 0.069 0.000 0.903 481 L HN 0.287 nan 8.230 nan 0.000 0.435 482 G N -0.898 107.940 108.800 0.064 0.000 2.453 482 G HA2 -0.357 3.603 3.960 0.000 0.000 0.215 482 G HA3 -0.357 3.603 3.960 0.000 0.000 0.215 482 G C 1.356 176.299 174.900 0.072 0.000 1.201 482 G CA 1.105 46.243 45.100 0.063 0.000 0.784 482 G HN 0.445 nan 8.290 nan 0.000 0.545 483 H N 0.491 119.563 119.070 0.003 0.000 2.352 483 H HA 0.068 4.625 4.556 0.000 0.000 0.299 483 H C 2.484 177.812 175.328 0.000 0.000 1.097 483 H CA 1.478 57.526 56.048 -0.000 0.000 1.311 483 H CB -0.319 29.439 29.762 -0.008 0.000 1.377 483 H HN 0.261 nan 8.280 nan 0.000 0.504 484 L N -0.072 121.149 121.223 -0.003 0.000 2.187 484 L HA -0.151 4.189 4.340 0.000 0.000 0.213 484 L C 2.719 179.537 176.870 -0.087 0.000 1.100 484 L CA 0.968 55.771 54.840 -0.062 0.000 0.765 484 L CB -0.518 41.556 42.059 0.024 0.000 0.904 484 L HN 0.487 nan 8.230 nan 0.000 0.437 485 A N -0.780 122.009 122.820 -0.052 0.000 2.067 485 A HA -0.079 4.241 4.320 0.000 0.000 0.219 485 A C 0.984 178.537 177.584 -0.052 0.000 1.158 485 A CA 0.452 52.468 52.037 -0.036 0.000 0.661 485 A CB -0.566 18.432 19.000 -0.004 0.000 0.801 485 A HN 0.396 nan 8.150 nan 0.000 0.452 486 N N 1.325 119.971 118.700 -0.091 0.000 2.395 486 N HA 0.126 4.866 4.740 0.000 0.000 0.246 486 N C -2.557 172.929 175.510 -0.040 0.000 1.246 486 N CA -0.650 52.361 53.050 -0.066 0.000 0.879 486 N CB 0.024 38.453 38.487 -0.098 0.000 1.098 486 N HN 0.291 nan 8.380 nan 0.000 0.444 487 P HA 0.035 nan 4.420 nan 0.000 0.271 487 P C 0.422 177.770 177.300 0.079 0.000 1.218 487 P CA -0.188 62.927 63.100 0.025 0.000 0.780 487 P CB 1.068 32.781 31.700 0.021 0.000 0.901 488 V N 2.141 122.091 119.914 0.061 0.000 2.795 488 V HA -0.094 4.027 4.120 0.000 0.000 0.243 488 V C 2.500 178.677 176.094 0.139 0.000 1.069 488 V CA 2.116 64.468 62.300 0.086 0.000 1.089 488 V CB -1.245 30.587 31.823 0.013 0.000 0.756 488 V HN 0.672 nan 8.190 nan 0.000 0.471 489 T N -1.178 113.421 114.554 0.075 0.000 3.077 489 T HA -0.162 4.189 4.350 0.000 0.000 0.269 489 T C 1.449 176.166 174.700 0.029 0.000 1.146 489 T CA 1.571 63.700 62.100 0.049 0.000 1.091 489 T CB -0.700 68.181 68.868 0.022 0.000 0.892 489 T HN 0.598 nan 8.240 nan 0.000 0.533 490 T N -1.838 112.725 114.554 0.015 0.000 3.144 490 T HA 0.167 4.517 4.350 0.000 0.000 0.249 490 T C 0.657 175.188 174.700 -0.282 0.000 1.089 490 T CA -0.105 61.919 62.100 -0.127 0.000 0.989 490 T CB -0.487 68.267 68.868 -0.189 0.000 0.992 490 T HN 0.568 nan 8.240 nan 0.000 0.540 491 H N 0.217 119.283 119.070 -0.007 0.000 2.486 491 H HA 0.494 5.050 4.556 0.000 0.000 0.284 491 H C 0.061 175.389 175.328 -0.000 0.000 1.103 491 H CA -0.505 55.540 56.048 -0.005 0.000 1.089 491 H CB 0.130 29.887 29.762 -0.008 0.000 1.603 491 H HN 0.171 nan 8.280 nan 0.000 0.557 492 V N 2.237 122.186 119.914 0.057 0.000 2.599 492 V HA -0.041 4.079 4.120 0.000 0.000 0.300 492 V C 0.350 176.465 176.094 0.035 0.000 1.034 492 V CA 0.207 62.534 62.300 0.044 0.000 1.115 492 V CB 0.756 32.594 31.823 0.026 0.000 0.934 492 V HN 0.420 nan 8.190 nan 0.000 0.485 493 Q N 6.302 126.125 119.800 0.038 0.000 2.241 493 Q HA 0.417 4.757 4.340 0.000 0.000 0.262 493 Q C -2.318 173.697 176.000 0.026 0.000 1.014 493 Q CA -2.273 53.548 55.803 0.031 0.000 0.885 493 Q CB 1.359 30.117 28.738 0.033 0.000 1.311 493 Q HN 0.458 nan 8.270 nan 0.000 0.461 494 P HA 0.174 nan 4.420 nan 0.000 0.244 494 P C -0.766 176.546 177.300 0.021 0.000 1.769 494 P CA 0.091 63.203 63.100 0.020 0.000 1.102 494 P CB -0.273 31.437 31.700 0.016 0.000 1.937 495 A N 1.949 124.783 122.820 0.024 0.000 2.346 495 A HA 0.232 4.553 4.320 0.000 0.000 0.252 495 A C 0.691 178.287 177.584 0.020 0.000 1.089 495 A CA -0.112 51.938 52.037 0.022 0.000 0.797 495 A CB -0.141 18.873 19.000 0.024 0.000 1.047 495 A HN 0.581 nan 8.150 nan 0.000 0.494 499 N N 0.754 119.465 118.700 0.019 0.000 2.309 499 N HA -0.050 4.690 4.740 0.000 0.000 0.182 499 N C 1.008 176.542 175.510 0.040 0.000 1.018 499 N CA 1.236 54.302 53.050 0.026 0.000 0.876 499 N CB -0.081 38.416 38.487 0.017 0.000 0.972 499 N HN 0.648 nan 8.380 nan 0.000 0.434 500 Q N -0.305 119.516 119.800 0.035 0.000 2.465 500 Q HA 0.393 4.734 4.340 0.000 0.000 0.361 500 Q C 0.724 176.752 176.000 0.046 0.000 0.957 500 Q CA -0.404 55.428 55.803 0.049 0.000 1.065 500 Q CB 0.715 29.472 28.738 0.032 0.000 1.274 500 Q HN 0.283 nan 8.270 nan 0.000 0.421 501 A N 0.567 123.412 122.820 0.041 0.000 2.032 501 A HA -0.096 4.225 4.320 0.000 0.000 0.221 501 A C 1.137 178.742 177.584 0.036 0.000 1.165 501 A CA 1.270 53.327 52.037 0.033 0.000 0.645 501 A CB -0.135 18.882 19.000 0.028 0.000 0.807 501 A HN 0.334 nan 8.150 nan 0.000 0.453 502 V N -1.046 118.897 119.914 0.047 0.000 2.487 502 V HA 0.648 4.768 4.120 0.000 0.000 0.298 502 V C -1.224 174.909 176.094 0.065 0.000 1.028 502 V CA -1.031 61.297 62.300 0.046 0.000 0.860 502 V CB 1.457 33.304 31.823 0.040 0.000 0.991 502 V HN 0.485 nan 8.190 nan 0.000 0.427 503 N N 2.576 121.310 118.700 0.057 0.000 2.284 503 N HA 0.297 5.037 4.740 0.000 0.000 0.289 503 N C 0.689 176.232 175.510 0.054 0.000 1.179 503 N CA -0.059 53.031 53.050 0.068 0.000 0.774 503 N CB 2.175 40.697 38.487 0.059 0.000 1.548 503 N HN 0.693 nan 8.380 nan 0.000 0.473 504 S N 0.609 116.343 115.700 0.058 0.000 2.428 504 S HA -0.015 4.455 4.470 0.000 0.000 0.230 504 S C 1.172 175.792 174.600 0.034 0.000 1.014 504 S CA 0.165 58.391 58.200 0.043 0.000 0.957 504 S CB -0.676 62.550 63.200 0.042 0.000 0.784 504 S HN 0.643 nan 8.310 nan 0.000 0.499 505 L N -0.409 120.835 121.223 0.034 0.000 4.232 505 L HA -0.303 4.038 4.340 0.000 0.000 0.415 505 L C 1.844 178.723 176.870 0.016 0.000 1.168 505 L CA 0.136 54.991 54.840 0.025 0.000 0.966 505 L CB -2.451 39.627 42.059 0.031 0.000 2.052 505 L HN 0.484 nan 8.230 nan 0.000 0.887 506 A N 0.107 122.938 122.820 0.018 0.000 1.892 506 A HA -0.209 4.112 4.320 0.000 0.000 0.218 506 A C 1.937 179.522 177.584 0.000 0.000 1.188 506 A CA 2.211 54.254 52.037 0.010 0.000 0.631 506 A CB -0.196 18.813 19.000 0.014 0.000 0.822 506 A HN 0.439 nan 8.150 nan 0.000 0.447 507 L N -0.225 120.996 121.223 -0.002 0.000 2.141 507 L HA -0.029 4.311 4.340 0.000 0.000 0.209 507 L C 2.188 179.049 176.870 -0.017 0.000 1.094 507 L CA 1.465 56.298 54.840 -0.012 0.000 0.763 507 L CB -0.328 41.721 42.059 -0.016 0.000 0.908 507 L HN 0.452 nan 8.230 nan 0.000 0.437 508 I N -1.715 118.847 120.570 -0.014 0.000 2.252 508 I HA -0.262 3.908 4.170 0.000 0.000 0.245 508 I C 2.616 178.722 176.117 -0.019 0.000 1.102 508 I CA 1.345 62.633 61.300 -0.020 0.000 1.385 508 I CB -0.565 37.424 38.000 -0.018 0.000 1.064 508 I HN 0.250 nan 8.210 nan 0.000 0.414 509 S N 0.614 116.306 115.700 -0.012 0.000 2.368 509 S HA -0.169 4.301 4.470 0.000 0.000 0.225 509 S C 2.252 176.843 174.600 -0.015 0.000 1.030 509 S CA 1.419 59.611 58.200 -0.012 0.000 0.999 509 S CB -0.232 62.966 63.200 -0.004 0.000 0.844 509 S HN 0.472 nan 8.310 nan 0.000 0.459 510 A N 1.529 124.340 122.820 -0.014 0.000 1.908 510 A HA -0.122 4.198 4.320 0.000 0.000 0.218 510 A C 2.222 179.796 177.584 -0.018 0.000 1.181 510 A CA 1.589 53.617 52.037 -0.016 0.000 0.627 510 A CB -0.597 18.392 19.000 -0.017 0.000 0.818 510 A HN 0.598 nan 8.150 nan 0.000 0.445 511 R N -1.205 119.283 120.500 -0.021 0.000 2.075 511 R HA -0.058 4.282 4.340 0.000 0.000 0.232 511 R C 2.393 178.682 176.300 -0.018 0.000 1.126 511 R CA 1.182 57.268 56.100 -0.022 0.000 0.963 511 R CB -0.218 30.066 30.300 -0.027 0.000 0.858 511 R HN 0.311 nan 8.270 nan 0.000 0.435 512 R N -0.074 120.414 120.500 -0.019 0.000 2.075 512 R HA -0.032 4.308 4.340 0.000 0.000 0.232 512 R C 2.159 178.452 176.300 -0.011 0.000 1.126 512 R CA 1.515 57.605 56.100 -0.017 0.000 0.963 512 R CB -1.039 29.244 30.300 -0.029 0.000 0.858 512 R HN 0.234 nan 8.270 nan 0.000 0.435 513 T N 0.696 115.242 114.554 -0.012 0.000 2.788 513 T HA -0.090 4.260 4.350 0.000 0.000 0.268 513 T C 1.709 176.407 174.700 -0.003 0.000 1.044 513 T CA 1.825 63.920 62.100 -0.009 0.000 1.139 513 T CB -0.220 68.641 68.868 -0.013 0.000 0.867 513 T HN 0.299 nan 8.240 nan 0.000 0.454 514 T N 1.420 115.971 114.554 -0.005 0.000 2.867 514 T HA -0.063 4.287 4.350 0.000 0.000 0.268 514 T C 1.891 176.594 174.700 0.006 0.000 1.057 514 T CA 1.071 63.170 62.100 -0.001 0.000 1.136 514 T CB -0.115 68.748 68.868 -0.008 0.000 0.874 514 T HN 0.534 nan 8.240 nan 0.000 0.466 515 E N 0.604 120.807 120.200 0.005 0.000 2.107 515 E HA -0.066 4.284 4.350 0.000 0.000 0.191 515 E C 2.275 178.886 176.600 0.019 0.000 0.982 515 E CA 0.743 57.151 56.400 0.012 0.000 0.809 515 E CB 0.010 29.717 29.700 0.011 0.000 0.756 515 E HN 0.285 nan 8.360 nan 0.000 0.459 516 S N 0.931 116.641 115.700 0.017 0.000 2.382 516 S HA -0.116 4.354 4.470 0.000 0.000 0.228 516 S C 1.640 176.255 174.600 0.025 0.000 1.027 516 S CA 0.849 59.062 58.200 0.023 0.000 0.991 516 S CB -0.265 62.947 63.200 0.019 0.000 0.823 516 S HN 0.323 nan 8.310 nan 0.000 0.469 517 N N 1.461 120.174 118.700 0.021 0.000 2.120 517 N HA -0.116 4.625 4.740 0.000 0.000 0.188 517 N C 1.467 176.998 175.510 0.036 0.000 1.024 517 N CA 1.193 54.258 53.050 0.025 0.000 0.852 517 N CB -0.617 37.882 38.487 0.020 0.000 1.003 517 N HN 0.330 nan 8.380 nan 0.000 0.424 518 D N 0.514 120.939 120.400 0.042 0.000 2.097 518 D HA -0.076 4.564 4.640 0.000 0.000 0.195 518 D C 1.949 178.282 176.300 0.056 0.000 0.989 518 D CA 0.589 54.638 54.000 0.081 0.000 0.827 518 D CB -0.044 40.802 40.800 0.077 0.000 0.966 518 D HN -0.053 nan 8.370 nan 0.000 0.456 519 V N 0.790 120.704 119.914 -0.000 0.000 2.427 519 V HA -0.162 3.958 4.120 0.000 0.000 0.248 519 V C 2.616 178.661 176.094 -0.082 0.000 1.051 519 V CA 0.974 63.230 62.300 -0.072 0.000 1.048 519 V CB -0.366 31.454 31.823 -0.004 0.000 0.666 519 V HN 0.335 nan 8.190 nan 0.000 0.456 520 L N -0.374 120.851 121.223 0.003 0.000 2.141 520 L HA -0.132 4.209 4.340 0.000 0.000 0.209 520 L C 2.513 179.405 176.870 0.037 0.000 1.094 520 L CA 1.512 56.374 54.840 0.038 0.000 0.763 520 L CB -0.186 41.908 42.059 0.060 0.000 0.908 520 L HN 0.391 nan 8.230 nan 0.000 0.437 521 S N 0.090 115.818 115.700 0.047 0.000 2.383 521 S HA -0.144 4.326 4.470 0.000 0.000 0.227 521 S C 1.865 176.538 174.600 0.120 0.000 1.026 521 S CA 1.033 59.293 58.200 0.100 0.000 0.981 521 S CB -0.172 63.101 63.200 0.122 0.000 0.818 521 S HN 0.359 nan 8.310 nan 0.000 0.472 522 L N 0.587 121.782 121.223 -0.046 0.000 2.093 522 L HA -0.070 4.270 4.340 0.000 0.000 0.208 522 L C 2.344 179.036 176.870 -0.298 0.000 1.085 522 L CA 0.634 55.275 54.840 -0.333 0.000 0.755 522 L CB -0.422 41.086 42.059 -0.918 0.000 0.904 522 L HN 0.281 nan 8.230 nan 0.000 0.435 523 L N -0.093 121.009 121.223 -0.202 0.000 2.005 523 L HA -0.168 4.172 4.340 0.000 0.000 0.207 523 L C 2.266 179.257 176.870 0.202 0.000 1.072 523 L CA 1.746 56.673 54.840 0.146 0.000 0.744 523 L CB -0.433 41.752 42.059 0.210 0.000 0.895 523 L HN 0.084 nan 8.230 nan 0.000 0.433 524 L N -0.507 120.812 121.223 0.161 0.000 2.191 524 L HA -0.131 4.209 4.340 0.000 0.000 0.212 524 L C 2.555 179.531 176.870 0.178 0.000 1.103 524 L CA 0.956 55.905 54.840 0.182 0.000 0.769 524 L CB -0.995 41.140 42.059 0.126 0.000 0.908 524 L HN 0.401 nan 8.230 nan 0.000 0.438 525 A N -0.517 122.402 122.820 0.165 0.000 2.014 525 A HA -0.113 4.208 4.320 0.000 0.000 0.218 525 A C 2.336 180.043 177.584 0.206 0.000 1.163 525 A CA 1.767 53.912 52.037 0.180 0.000 0.652 525 A CB -0.526 18.593 19.000 0.198 0.000 0.808 525 A HN 0.316 nan 8.150 nan 0.000 0.449 526 T N -1.773 112.908 114.554 0.212 0.000 2.896 526 T HA -0.071 4.279 4.350 0.000 0.000 0.263 526 T C 1.787 176.666 174.700 0.300 0.000 1.050 526 T CA 1.401 63.642 62.100 0.234 0.000 1.140 526 T CB -0.357 68.675 68.868 0.273 0.000 0.877 526 T HN 0.776 nan 8.240 nan 0.000 0.457 527 H N 0.055 119.224 119.070 0.164 0.000 2.363 527 H HA 0.009 4.565 4.556 0.000 0.000 0.301 527 H C 2.306 177.703 175.328 0.116 0.000 1.074 527 H CA 0.749 56.873 56.048 0.126 0.000 1.354 527 H CB -0.041 29.786 29.762 0.108 0.000 1.397 527 H HN 0.127 nan 8.280 nan 0.000 0.516 528 L N 0.538 121.880 121.223 0.198 0.000 1.989 528 L HA -0.229 4.111 4.340 0.000 0.000 0.211 528 L C 2.274 179.232 176.870 0.147 0.000 1.071 528 L CA 1.955 56.856 54.840 0.101 0.000 0.749 528 L CB -1.251 40.871 42.059 0.105 0.000 0.890 528 L HN 0.367 nan 8.230 nan 0.000 0.431 529 Y N -0.403 119.947 120.300 0.085 0.000 2.114 529 Y HA -0.370 4.180 4.550 0.000 0.000 0.282 529 Y C 2.621 178.559 175.900 0.063 0.000 1.165 529 Y CA 2.244 60.385 58.100 0.069 0.000 1.148 529 Y CB -0.796 37.708 38.460 0.074 0.000 0.972 529 Y HN 0.352 nan 8.280 nan 0.000 0.504 530 C N -0.620 118.807 119.300 0.211 0.000 2.453 530 C HA -0.159 4.301 4.460 0.000 0.000 0.277 530 C C 2.845 177.840 174.990 0.008 0.000 1.262 530 C CA 1.201 60.264 59.018 0.076 0.000 1.718 530 C CB -1.435 26.386 27.740 0.135 0.000 2.031 530 C HN 0.648 nan 8.230 nan 0.000 0.480 531 V N -0.356 119.606 119.914 0.080 0.000 2.343 531 V HA -0.171 3.950 4.120 0.000 0.000 0.247 531 V C 2.287 178.364 176.094 -0.029 0.000 1.051 531 V CA 1.663 63.977 62.300 0.024 0.000 1.036 531 V CB -1.163 30.674 31.823 0.023 0.000 0.654 531 V HN 0.331 nan 8.190 nan 0.000 0.451 532 L N 0.124 121.328 121.223 -0.031 0.000 1.990 532 L HA -0.192 4.148 4.340 0.000 0.000 0.213 532 L C 2.822 179.673 176.870 -0.030 0.000 1.072 532 L CA 2.121 56.950 54.840 -0.019 0.000 0.755 532 L CB -1.555 40.428 42.059 -0.127 0.000 0.889 532 L HN 0.418 nan 8.230 nan 0.000 0.432 533 Q N -1.101 118.627 119.800 -0.121 0.000 2.124 533 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 533 Q C 2.177 178.142 176.000 -0.058 0.000 0.977 533 Q CA 1.741 57.503 55.803 -0.070 0.000 0.850 533 Q CB -0.054 28.642 28.738 -0.070 0.000 0.901 533 Q HN 0.555 nan 8.270 nan 0.000 0.429 534 A N 0.937 123.708 122.820 -0.081 0.000 1.969 534 A HA -0.151 4.170 4.320 0.000 0.000 0.218 534 A C 1.981 179.441 177.584 -0.206 0.000 1.169 534 A CA 1.387 53.352 52.037 -0.119 0.000 0.635 534 A CB -0.690 18.245 19.000 -0.109 0.000 0.810 534 A HN 0.535 nan 8.150 nan 0.000 0.445 535 I N -3.523 116.918 120.570 -0.215 0.000 2.617 535 I HA -0.046 4.124 4.170 0.000 0.000 0.256 535 I C 1.410 177.402 176.117 -0.207 0.000 1.167 535 I CA 1.536 62.610 61.300 -0.377 0.000 1.469 535 I CB -0.296 37.495 38.000 -0.349 0.000 1.098 535 I HN -0.041 nan 8.210 nan 0.000 0.436 536 D N 1.526 121.868 120.400 -0.096 0.000 2.097 536 D HA -0.098 4.543 4.640 0.000 0.000 0.197 536 D C 2.172 178.266 176.300 -0.343 0.000 0.984 536 D CA 1.300 55.204 54.000 -0.160 0.000 0.826 536 D CB -0.126 40.596 40.800 -0.129 0.000 0.973 536 D HN 0.265 nan 8.370 nan 0.000 0.460 537 L N 0.680 121.739 121.223 -0.273 0.000 2.042 537 L HA -0.140 4.201 4.340 0.000 0.000 0.210 537 L C 2.355 179.098 176.870 -0.213 0.000 1.076 537 L CA 1.288 55.983 54.840 -0.241 0.000 0.749 537 L CB -0.705 41.267 42.059 -0.145 0.000 0.893 537 L HN -0.081 nan 8.230 nan 0.000 0.432 538 R N -0.255 120.094 120.500 -0.250 0.000 2.115 538 R HA -0.042 4.299 4.340 0.000 0.000 0.230 538 R C 2.128 178.261 176.300 -0.278 0.000 1.111 538 R CA 1.342 57.256 56.100 -0.309 0.000 0.976 538 R CB -0.507 29.467 30.300 -0.543 0.000 0.870 538 R HN 0.331 nan 8.270 nan 0.000 0.445 539 A N 0.178 122.921 122.820 -0.129 0.000 1.930 539 A HA -0.036 4.284 4.320 0.000 0.000 0.217 539 A C 2.161 179.755 177.584 0.017 0.000 1.175 539 A CA 1.289 53.333 52.037 0.011 0.000 0.627 539 A CB -0.442 18.664 19.000 0.177 0.000 0.815 539 A HN 0.342 nan 8.150 nan 0.000 0.443 540 I N -0.630 119.880 120.570 -0.100 0.000 2.252 540 I HA -0.225 3.945 4.170 0.000 0.000 0.245 540 I C 2.549 178.715 176.117 0.082 0.000 1.102 540 I CA 1.665 62.927 61.300 -0.063 0.000 1.385 540 I CB -0.341 37.532 38.000 -0.212 0.000 1.064 540 I HN 0.542 nan 8.210 nan 0.000 0.414 541 E N 1.138 121.380 120.200 0.070 0.000 2.077 541 E HA -0.234 4.116 4.350 0.000 0.000 0.193 541 E C 2.214 179.054 176.600 0.400 0.000 0.989 541 E CA 1.468 57.981 56.400 0.188 0.000 0.800 541 E CB -0.012 29.778 29.700 0.151 0.000 0.746 541 E HN 0.289 nan 8.360 nan 0.000 0.452 542 F N 1.350 121.301 119.950 0.001 0.000 2.146 542 F HA -0.071 4.456 4.527 0.000 0.000 0.298 542 F C 2.426 178.263 175.800 0.062 0.000 1.096 542 F CA 1.205 59.164 58.000 -0.068 0.000 1.275 542 F CB -0.777 37.931 39.000 -0.487 0.000 1.008 542 F HN 0.065 nan 8.300 nan 0.000 0.480 543 E N -0.144 120.242 120.200 0.311 0.000 2.058 543 E HA -0.238 4.113 4.350 0.000 0.000 0.194 543 E C 2.104 178.832 176.600 0.214 0.000 0.997 543 E CA 1.280 57.833 56.400 0.256 0.000 0.801 543 E CB -0.732 29.103 29.700 0.225 0.000 0.746 543 E HN 0.319 nan 8.360 nan 0.000 0.450 544 F N 1.411 121.422 119.950 0.101 0.000 2.046 544 F HA -0.205 4.323 4.527 0.000 0.000 0.297 544 F C 1.861 177.725 175.800 0.107 0.000 1.123 544 F CA 1.816 59.860 58.000 0.073 0.000 1.199 544 F CB -0.186 38.837 39.000 0.038 0.000 0.972 544 F HN -0.103 nan 8.300 nan 0.000 0.474 545 K N 0.392 120.970 120.400 0.296 0.000 2.113 545 K HA -0.266 4.054 4.320 0.000 0.000 0.208 545 K C 2.233 178.826 176.600 -0.012 0.000 1.047 545 K CA 1.840 58.214 56.287 0.145 0.000 0.928 545 K CB -0.375 32.214 32.500 0.147 0.000 0.716 545 K HN 0.299 nan 8.250 nan 0.000 0.446 546 K N 1.268 121.669 120.400 0.003 0.000 2.074 546 K HA -0.241 4.079 4.320 0.000 0.000 0.209 546 K C 1.938 178.515 176.600 -0.040 0.000 1.048 546 K CA 1.765 58.047 56.287 -0.009 0.000 0.926 546 K CB 0.100 32.629 32.500 0.048 0.000 0.713 546 K HN 0.249 nan 8.250 nan 0.000 0.444 547 Q N -1.331 118.426 119.800 -0.072 0.000 2.297 547 Q HA -0.021 4.319 4.340 0.000 0.000 0.203 547 Q C 1.721 177.646 176.000 -0.126 0.000 0.931 547 Q CA 0.448 56.199 55.803 -0.087 0.000 0.885 547 Q CB 0.090 28.787 28.738 -0.070 0.000 0.991 547 Q HN 0.209 nan 8.270 nan 0.000 0.498 548 F N 1.122 120.795 119.950 -0.462 0.000 2.407 548 F HA 0.076 4.603 4.527 0.000 0.000 0.299 548 F C 1.916 177.580 175.800 -0.226 0.000 1.097 548 F CA 1.040 58.748 58.000 -0.487 0.000 1.422 548 F CB -0.334 38.069 39.000 -0.996 0.000 1.067 548 F HN 0.023 nan 8.300 nan 0.000 0.539 549 G N 1.423 110.149 108.800 -0.124 0.000 2.446 549 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 549 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 549 G C -0.528 174.282 174.900 -0.150 0.000 1.168 549 G CA 1.005 46.040 45.100 -0.108 0.000 0.771 549 G HN 0.327 nan 8.290 nan 0.000 0.551 550 P HA 0.057 nan 4.420 nan 0.000 0.217 550 P C 2.140 179.347 177.300 -0.155 0.000 1.154 550 P CA 1.696 64.728 63.100 -0.113 0.000 0.841 550 P CB -0.143 31.510 31.700 -0.079 0.000 0.790 551 A N 0.334 123.022 122.820 -0.221 0.000 1.927 551 A HA -0.226 4.094 4.320 0.000 0.000 0.220 551 A C 2.262 179.646 177.584 -0.333 0.000 1.185 551 A CA 1.947 53.827 52.037 -0.261 0.000 0.639 551 A CB -1.762 17.058 19.000 -0.301 0.000 0.820 551 A HN 0.178 nan 8.150 nan 0.000 0.451 552 I N -0.217 120.056 120.570 -0.495 0.000 2.163 552 I HA -0.192 3.978 4.170 0.000 0.000 0.243 552 I C 2.304 178.376 176.117 -0.076 0.000 1.085 552 I CA 1.660 62.754 61.300 -0.344 0.000 1.347 552 I CB -0.320 37.508 38.000 -0.286 0.000 1.044 552 I HN 0.129 nan 8.210 nan 0.000 0.408 553 V N 0.142 120.011 119.914 -0.074 0.000 2.332 553 V HA -0.308 3.812 4.120 0.000 0.000 0.248 553 V C 2.564 178.667 176.094 0.015 0.000 1.055 553 V CA 2.148 64.439 62.300 -0.014 0.000 1.038 553 V CB -1.149 30.655 31.823 -0.032 0.000 0.651 553 V HN 0.461 nan 8.190 nan 0.000 0.450 554 S N 0.099 115.791 115.700 -0.013 0.000 2.344 554 S HA -0.184 4.286 4.470 0.000 0.000 0.217 554 S C 1.882 176.530 174.600 0.080 0.000 1.033 554 S CA 1.675 59.883 58.200 0.013 0.000 1.017 554 S CB -0.564 62.624 63.200 -0.019 0.000 0.941 554 S HN 0.408 nan 8.310 nan 0.000 0.430 555 L N 1.654 122.931 121.223 0.089 0.000 2.263 555 L HA -0.033 4.307 4.340 0.000 0.000 0.216 555 L C 1.733 178.894 176.870 0.486 0.000 1.111 555 L CA 1.196 56.175 54.840 0.232 0.000 0.773 555 L CB -0.613 41.495 42.059 0.082 0.000 0.906 555 L HN 0.332 nan 8.230 nan 0.000 0.439 556 I N -1.037 119.763 120.570 0.384 0.000 2.110 556 I HA -0.268 3.902 4.170 0.000 0.000 0.236 556 I C 2.064 178.351 176.117 0.284 0.000 1.068 556 I CA 1.426 62.936 61.300 0.349 0.000 1.333 556 I CB -0.478 37.599 38.000 0.129 0.000 1.054 556 I HN 0.222 nan 8.210 nan 0.000 0.402 557 D N 0.433 120.930 120.400 0.162 0.000 2.133 557 D HA -0.289 4.351 4.640 0.000 0.000 0.195 557 D C 2.004 178.361 176.300 0.095 0.000 0.997 557 D CA 1.362 55.428 54.000 0.110 0.000 0.840 557 D CB -0.465 40.367 40.800 0.054 0.000 0.947 557 D HN 0.439 nan 8.370 nan 0.000 0.452 558 Q N -0.359 119.496 119.800 0.092 0.000 2.368 558 Q HA -0.182 4.158 4.340 0.000 0.000 0.210 558 Q C 1.233 177.146 176.000 -0.146 0.000 0.982 558 Q CA 1.232 57.021 55.803 -0.023 0.000 0.884 558 Q CB 0.155 28.879 28.738 -0.024 0.000 0.933 558 Q HN 0.464 nan 8.270 nan 0.000 0.460 559 H N -2.715 116.415 119.070 0.101 0.000 3.058 559 H HA 0.108 4.664 4.556 0.000 0.000 0.258 559 H C 0.183 175.271 175.328 -0.401 0.000 1.015 559 H CA 0.330 56.344 56.048 -0.058 0.000 1.210 559 H CB 0.774 30.640 29.762 0.173 0.000 1.481 559 H HN 0.242 nan 8.280 nan 0.000 0.492 560 F N -1.177 118.759 119.950 -0.024 0.000 2.880 560 F HA 0.248 4.776 4.527 0.001 0.000 0.346 560 F C 2.304 178.063 175.800 -0.069 0.000 1.054 560 F CA 0.265 58.210 58.000 -0.092 0.000 1.151 560 F CB 0.099 38.972 39.000 -0.210 0.000 1.066 560 F HN 0.027 nan 8.300 nan 0.000 0.566 561 G N -0.148 108.714 108.800 0.103 0.000 2.459 561 G HA2 -0.315 3.646 3.960 0.000 0.000 0.217 561 G HA3 -0.315 3.646 3.960 0.000 0.000 0.217 561 G C 1.950 176.861 174.900 0.017 0.000 1.183 561 G CA 1.541 46.669 45.100 0.048 0.000 0.776 561 G HN 0.343 nan 8.290 nan 0.000 0.552 562 S N 0.658 116.353 115.700 -0.009 0.000 2.368 562 S HA 0.275 4.746 4.470 0.000 0.000 0.224 562 S C 1.840 176.424 174.600 -0.026 0.000 1.029 562 S CA 1.019 59.204 58.200 -0.025 0.000 0.988 562 S CB -0.626 62.548 63.200 -0.045 0.000 0.838 562 S HN 0.736 nan 8.310 nan 0.000 0.462 566 G N 1.799 110.597 108.800 -0.002 0.000 2.272 566 G HA2 0.050 4.010 3.960 0.000 0.000 0.280 566 G HA3 0.050 4.010 3.960 0.000 0.000 0.280 566 G C 0.098 174.996 174.900 -0.003 0.000 1.067 566 G CA 1.028 46.126 45.100 -0.003 0.000 0.902 566 G HN 1.945 nan 8.290 nan 0.000 0.500 567 S N -2.159 113.539 115.700 -0.003 0.000 2.705 567 S HA 0.648 5.118 4.470 0.000 0.000 0.280 567 S C 0.143 174.739 174.600 -0.008 0.000 1.174 567 S CA -0.416 57.782 58.200 -0.005 0.000 0.823 567 S CB 1.275 64.473 63.200 -0.003 0.000 1.162 567 S HN 0.091 nan 8.310 nan 0.000 0.487 568 N N 0.258 118.952 118.700 -0.010 0.000 2.251 568 N HA 0.288 5.029 4.740 0.000 0.000 0.217 568 N C -0.372 175.126 175.510 -0.020 0.000 1.124 568 N CA -0.065 52.977 53.050 -0.014 0.000 0.843 568 N CB 0.022 38.501 38.487 -0.013 0.000 1.024 568 N HN 0.394 nan 8.380 nan 0.000 0.501 569 L N 0.942 122.153 121.223 -0.021 0.000 2.672 569 L HA 0.254 4.595 4.340 0.000 0.000 0.238 569 L C 1.223 178.066 176.870 -0.044 0.000 1.392 569 L CA 0.704 55.524 54.840 -0.034 0.000 1.238 569 L CB -1.166 40.878 42.059 -0.026 0.000 1.548 569 L HN 0.341 nan 8.230 nan 0.000 0.423 570 R N -0.446 120.030 120.500 -0.040 0.000 5.072 570 R HA 0.057 4.397 4.340 0.000 0.000 0.116 570 R C 0.860 177.137 176.300 -0.039 0.000 1.152 570 R CA -0.296 55.780 56.100 -0.040 0.000 0.887 570 R CB 0.310 30.597 30.300 -0.022 0.000 1.367 570 R HN 0.159 nan 8.270 nan 0.000 0.403 571 D N 1.326 121.709 120.400 -0.028 0.000 2.228 571 D HA -0.202 4.439 4.640 0.000 0.000 0.203 571 D C 1.329 177.612 176.300 -0.028 0.000 0.988 571 D CA 1.404 55.389 54.000 -0.024 0.000 0.864 571 D CB 0.150 40.938 40.800 -0.019 0.000 0.928 571 D HN 0.457 nan 8.370 nan 0.000 0.469 572 E N 0.489 120.668 120.200 -0.034 0.000 2.057 572 E HA -0.042 4.309 4.350 0.000 0.000 0.190 572 E C 2.334 178.905 176.600 -0.049 0.000 0.969 572 E CA -0.113 56.266 56.400 -0.036 0.000 0.812 572 E CB -0.034 29.645 29.700 -0.034 0.000 0.777 572 E HN 0.128 nan 8.360 nan 0.000 0.455 573 L N 0.919 122.099 121.223 -0.072 0.000 2.079 573 L HA -0.162 4.178 4.340 0.000 0.000 0.210 573 L C 2.240 179.066 176.870 -0.073 0.000 1.081 573 L CA 0.987 55.762 54.840 -0.108 0.000 0.752 573 L CB -0.069 41.873 42.059 -0.196 0.000 0.896 573 L HN 0.091 nan 8.230 nan 0.000 0.433 574 V N -0.063 119.820 119.914 -0.051 0.000 2.358 574 V HA -0.288 3.832 4.120 0.000 0.000 0.246 574 V C 2.438 178.528 176.094 -0.007 0.000 1.047 574 V CA 2.166 64.456 62.300 -0.017 0.000 1.035 574 V CB -0.538 31.274 31.823 -0.017 0.000 0.658 574 V HN 0.565 nan 8.190 nan 0.000 0.452 575 E N -0.073 120.116 120.200 -0.019 0.000 2.152 575 E HA -0.173 4.177 4.350 0.000 0.000 0.192 575 E C 2.183 178.770 176.600 -0.021 0.000 0.983 575 E CA 0.891 57.281 56.400 -0.017 0.000 0.818 575 E CB 0.101 29.789 29.700 -0.020 0.000 0.758 575 E HN 0.566 nan 8.360 nan 0.000 0.467 576 K N -0.130 120.254 120.400 -0.027 0.000 2.166 576 K HA 0.008 4.328 4.320 0.000 0.000 0.201 576 K C 2.136 178.715 176.600 -0.035 0.000 1.052 576 K CA 0.630 56.896 56.287 -0.035 0.000 0.969 576 K CB 0.271 32.749 32.500 -0.037 0.000 0.761 576 K HN 0.001 nan 8.250 nan 0.000 0.459 577 V N 2.189 122.102 119.914 -0.001 0.000 2.261 577 V HA -0.260 3.861 4.120 0.000 0.000 0.246 577 V C 1.855 177.965 176.094 0.027 0.000 1.047 577 V CA 1.894 64.228 62.300 0.057 0.000 1.015 577 V CB -0.582 31.352 31.823 0.185 0.000 0.642 577 V HN 0.310 nan 8.190 nan 0.000 0.446 578 N N -0.137 118.584 118.700 0.035 0.000 2.223 578 N HA -0.178 4.562 4.740 0.000 0.000 0.185 578 N C 1.800 177.300 175.510 -0.017 0.000 1.016 578 N CA 1.246 54.312 53.050 0.027 0.000 0.863 578 N CB -0.219 38.284 38.487 0.027 0.000 0.983 578 N HN 0.438 nan 8.380 nan 0.000 0.429 579 K N -0.768 119.608 120.400 -0.040 0.000 2.296 579 K HA 0.027 4.347 4.320 0.000 0.000 0.200 579 K C 1.018 177.547 176.600 -0.118 0.000 1.048 579 K CA 1.027 57.277 56.287 -0.061 0.000 0.966 579 K CB 0.151 32.620 32.500 -0.052 0.000 0.754 579 K HN 0.132 nan 8.250 nan 0.000 0.466 580 T N 1.272 115.726 114.554 -0.167 0.000 2.976 580 T HA 0.048 4.399 4.350 0.000 0.000 0.257 580 T C 1.738 176.230 174.700 -0.347 0.000 1.051 580 T CA 0.383 62.283 62.100 -0.332 0.000 1.141 580 T CB 0.061 68.676 68.868 -0.422 0.000 0.881 580 T HN 0.098 nan 8.240 nan 0.000 0.461 581 L N 0.989 122.077 121.223 -0.224 0.000 2.017 581 L HA -0.113 4.227 4.340 0.000 0.000 0.208 581 L C 3.027 179.797 176.870 -0.166 0.000 1.073 581 L CA 1.377 56.089 54.840 -0.213 0.000 0.745 581 L CB -0.624 41.355 42.059 -0.134 0.000 0.894 581 L HN 0.249 nan 8.230 nan 0.000 0.432 582 A N 0.090 122.849 122.820 -0.100 0.000 1.858 582 A HA -0.288 4.032 4.320 0.000 0.000 0.216 582 A C 2.361 179.881 177.584 -0.106 0.000 1.190 582 A CA 2.120 54.113 52.037 -0.072 0.000 0.617 582 A CB -0.600 18.380 19.000 -0.034 0.000 0.827 582 A HN 0.357 nan 8.150 nan 0.000 0.443 583 K N -0.810 119.518 120.400 -0.121 0.000 2.059 583 K HA -0.292 4.029 4.320 0.000 0.000 0.212 583 K C 2.260 178.797 176.600 -0.105 0.000 1.050 583 K CA 2.154 58.376 56.287 -0.109 0.000 0.927 583 K CB -0.148 32.272 32.500 -0.134 0.000 0.714 583 K HN 0.313 nan 8.250 nan 0.000 0.447 584 R N 0.827 121.239 120.500 -0.146 0.000 2.080 584 R HA 0.076 4.417 4.340 0.000 0.000 0.222 584 R C 2.162 178.341 176.300 -0.202 0.000 1.107 584 R CA 1.108 57.146 56.100 -0.103 0.000 0.980 584 R CB -0.469 29.813 30.300 -0.031 0.000 0.879 584 R HN 0.275 nan 8.270 nan 0.000 0.439 585 L N 0.540 121.609 121.223 -0.255 0.000 2.265 585 L HA -0.081 4.259 4.340 0.000 0.000 0.215 585 L C 2.296 179.014 176.870 -0.252 0.000 1.117 585 L CA 1.453 56.090 54.840 -0.339 0.000 0.782 585 L CB -0.398 41.447 42.059 -0.356 0.000 0.914 585 L HN 0.389 nan 8.230 nan 0.000 0.441 586 E N 0.612 120.713 120.200 -0.165 0.000 2.274 586 E HA -0.199 4.152 4.350 0.000 0.000 0.194 586 E C 1.207 177.738 176.600 -0.115 0.000 0.996 586 E CA 0.691 57.021 56.400 -0.118 0.000 0.840 586 E CB 0.283 29.939 29.700 -0.074 0.000 0.772 586 E HN 0.636 nan 8.360 nan 0.000 0.491 587 Q N -0.964 118.757 119.800 -0.131 0.000 2.206 587 Q HA 0.166 4.506 4.340 0.000 0.000 0.265 587 Q C 0.465 176.366 176.000 -0.165 0.000 0.866 587 Q CA -0.040 55.699 55.803 -0.106 0.000 1.073 587 Q CB 0.924 29.623 28.738 -0.065 0.000 1.165 587 Q HN -0.127 nan 8.270 nan 0.000 0.465 588 T N 0.552 114.948 114.554 -0.264 0.000 3.403 588 T HA 0.043 4.393 4.350 0.000 0.000 0.308 588 T C 0.465 174.983 174.700 -0.305 0.000 0.952 588 T CA 0.019 61.827 62.100 -0.486 0.000 0.970 588 T CB -0.006 68.357 68.868 -0.842 0.000 1.189 588 T HN 0.526 nan 8.240 nan 0.000 0.528 589 N N 0.300 118.899 118.700 -0.168 0.000 2.609 589 N HA 0.030 4.770 4.740 0.000 0.000 0.190 589 N C 1.107 176.602 175.510 -0.025 0.000 1.157 589 N CA 0.326 53.305 53.050 -0.119 0.000 0.918 589 N CB -0.042 38.382 38.487 -0.105 0.000 0.978 589 N HN 0.176 nan 8.380 nan 0.000 0.448 590 S N -0.684 115.061 115.700 0.075 0.000 2.511 590 S HA 0.144 4.614 4.470 0.000 0.000 0.214 590 S C -0.185 174.506 174.600 0.152 0.000 0.997 590 S CA -0.486 57.777 58.200 0.105 0.000 0.908 590 S CB -0.043 63.223 63.200 0.109 0.000 0.803 590 S HN 0.213 nan 8.310 nan 0.000 0.504 591 Y N 3.213 123.460 120.300 -0.090 0.000 2.397 591 Y HA 0.210 4.761 4.550 0.000 0.000 0.335 591 Y C 0.909 176.760 175.900 -0.082 0.000 1.213 591 Y CA -1.328 56.722 58.100 -0.084 0.000 1.391 591 Y CB 0.120 38.510 38.460 -0.116 0.000 1.293 591 Y HN 0.068 nan 8.280 nan 0.000 0.557 592 D N 1.448 121.887 120.400 0.065 0.000 2.360 592 D HA -0.033 4.607 4.640 0.000 0.000 0.242 592 D C 1.278 177.619 176.300 0.067 0.000 1.184 592 D CA -0.256 53.768 54.000 0.040 0.000 0.930 592 D CB 0.927 41.743 40.800 0.026 0.000 1.161 592 D HN 0.490 nan 8.370 nan 0.000 0.447 593 L N 2.221 123.485 121.223 0.069 0.000 1.951 593 L HA -0.268 4.072 4.340 0.000 0.000 0.222 593 L C 2.153 179.148 176.870 0.208 0.000 1.078 593 L CA 1.840 56.758 54.840 0.129 0.000 0.778 593 L CB -0.731 41.410 42.059 0.135 0.000 0.893 593 L HN 0.358 nan 8.230 nan 0.000 0.436 594 V N 0.066 120.093 119.914 0.188 0.000 2.219 594 V HA -0.260 3.860 4.120 0.000 0.000 0.248 594 V C 0.101 176.359 176.094 0.272 0.000 1.053 594 V CA 2.606 65.043 62.300 0.228 0.000 1.009 594 V CB -2.136 29.812 31.823 0.210 0.000 0.636 594 V HN 0.384 nan 8.190 nan 0.000 0.445 595 P HA -0.186 nan 4.420 nan 0.000 0.216 595 P C 1.766 179.228 177.300 0.271 0.000 1.153 595 P CA 1.577 64.828 63.100 0.251 0.000 0.858 595 P CB -0.143 31.652 31.700 0.158 0.000 0.789 596 R N -1.119 119.488 120.500 0.179 0.000 2.094 596 R HA -0.178 4.162 4.340 0.000 0.000 0.239 596 R C 2.066 178.200 176.300 -0.277 0.000 1.137 596 R CA 2.009 58.044 56.100 -0.107 0.000 0.943 596 R CB -0.858 29.238 30.300 -0.341 0.000 0.850 596 R HN 0.218 nan 8.270 nan 0.000 0.433 597 W N -0.505 120.790 121.300 -0.008 0.000 2.418 597 W HA -0.098 4.562 4.660 0.000 0.000 0.292 597 W C 2.395 178.942 176.519 0.047 0.000 1.213 597 W CA 0.532 57.860 57.345 -0.029 0.000 1.283 597 W CB -0.206 29.217 29.460 -0.062 0.000 1.119 597 W HN 0.252 nan 8.180 nan 0.000 0.542 598 H N -0.554 118.707 119.070 0.317 0.000 2.457 598 H HA -0.143 4.413 4.556 0.001 0.000 0.294 598 H C 1.788 177.233 175.328 0.194 0.000 1.064 598 H CA 1.730 57.928 56.048 0.249 0.000 1.330 598 H CB -0.501 29.369 29.762 0.181 0.000 1.395 598 H HN 0.267 nan 8.280 nan 0.000 0.541 599 D N 0.626 121.169 120.400 0.239 0.000 2.162 599 D HA -0.059 4.582 4.640 0.000 0.000 0.203 599 D C 2.113 178.468 176.300 0.090 0.000 0.967 599 D CA 0.801 54.886 54.000 0.142 0.000 0.840 599 D CB 0.321 41.168 40.800 0.078 0.000 0.972 599 D HN 0.266 nan 8.370 nan 0.000 0.482 600 A N 0.504 123.321 122.820 -0.005 0.000 1.828 600 A HA -0.129 4.192 4.320 0.000 0.000 0.215 600 A C 2.159 179.718 177.584 -0.042 0.000 1.203 600 A CA 1.167 53.132 52.037 -0.121 0.000 0.614 600 A CB -1.409 17.396 19.000 -0.325 0.000 0.844 600 A HN 0.281 nan 8.150 nan 0.000 0.445 601 F N 0.270 120.317 119.950 0.161 0.000 2.333 601 F HA -0.115 4.412 4.527 0.000 0.000 0.300 601 F C 2.897 178.798 175.800 0.167 0.000 1.083 601 F CA 1.196 59.254 58.000 0.097 0.000 1.395 601 F CB -0.145 38.814 39.000 -0.068 0.000 1.056 601 F HN 0.281 nan 8.300 nan 0.000 0.529 602 S N 0.126 116.030 115.700 0.340 0.000 2.370 602 S HA -0.266 4.204 4.470 0.000 0.000 0.226 602 S C 2.073 176.865 174.600 0.320 0.000 1.033 602 S CA 1.345 59.719 58.200 0.291 0.000 1.011 602 S CB -0.634 62.701 63.200 0.225 0.000 0.852 602 S HN 0.516 nan 8.310 nan 0.000 0.457 603 F N 1.323 121.335 119.950 0.103 0.000 2.259 603 F HA 0.055 4.582 4.527 0.000 0.000 0.298 603 F C 2.352 178.215 175.800 0.105 0.000 1.088 603 F CA 0.534 58.575 58.000 0.069 0.000 1.358 603 F CB -0.270 38.732 39.000 0.003 0.000 1.040 603 F HN 0.372 nan 8.300 nan 0.000 0.505 604 A N 0.490 123.493 122.820 0.304 0.000 1.930 604 A HA -0.104 4.216 4.320 0.000 0.000 0.217 604 A C 2.302 180.137 177.584 0.418 0.000 1.175 604 A CA 1.406 53.605 52.037 0.270 0.000 0.627 604 A CB -1.174 18.020 19.000 0.322 0.000 0.815 604 A HN 0.464 nan 8.150 nan 0.000 0.443 605 A N -0.197 122.909 122.820 0.476 0.000 1.851 605 A HA 0.062 4.383 4.320 0.000 0.000 0.216 605 A C 2.459 180.213 177.584 0.283 0.000 1.195 605 A CA 1.982 54.286 52.037 0.445 0.000 0.622 605 A CB -1.611 17.623 19.000 0.391 0.000 0.831 605 A HN 0.907 nan 8.150 nan 0.000 0.444 606 G N -1.603 107.365 108.800 0.279 0.000 2.549 606 G HA2 -0.152 3.808 3.960 0.000 0.000 0.222 606 G HA3 -0.152 3.808 3.960 0.000 0.000 0.222 606 G C 1.352 176.364 174.900 0.188 0.000 1.100 606 G CA 1.709 46.944 45.100 0.225 0.000 0.739 606 G HN 0.485 nan 8.290 nan 0.000 0.577 607 T N 0.053 114.715 114.554 0.179 0.000 3.009 607 T HA 0.002 4.352 4.350 0.000 0.000 0.258 607 T C 2.648 177.363 174.700 0.025 0.000 1.063 607 T CA 0.962 63.115 62.100 0.089 0.000 1.139 607 T CB 0.053 68.947 68.868 0.043 0.000 0.890 607 T HN 0.303 nan 8.240 nan 0.000 0.471 608 V N 0.240 120.158 119.914 0.006 0.000 2.453 608 V HA -0.047 4.073 4.120 0.000 0.000 0.247 608 V C 2.320 178.385 176.094 -0.049 0.000 1.048 608 V CA 1.120 63.336 62.300 -0.141 0.000 1.049 608 V CB -1.308 30.303 31.823 -0.354 0.000 0.672 608 V HN 0.283 nan 8.190 nan 0.000 0.457 609 V N 0.890 120.825 119.914 0.034 0.000 2.688 609 V HA -0.251 3.870 4.120 0.000 0.000 0.256 609 V C 2.666 178.782 176.094 0.036 0.000 1.084 609 V CA 2.539 64.872 62.300 0.055 0.000 1.103 609 V CB -0.790 31.083 31.823 0.083 0.000 0.688 609 V HN 0.787 nan 8.190 nan 0.000 0.480 610 E N 0.150 120.367 120.200 0.028 0.000 2.102 610 E HA -0.114 4.236 4.350 0.000 0.000 0.190 610 E C 2.151 178.751 176.600 0.001 0.000 0.971 610 E CA 1.293 57.706 56.400 0.021 0.000 0.821 610 E CB 0.245 29.963 29.700 0.030 0.000 0.777 610 E HN 0.537 nan 8.360 nan 0.000 0.460 611 V N -0.392 119.509 119.914 -0.022 0.000 2.407 611 V HA -0.049 4.071 4.120 0.000 0.000 0.245 611 V C 1.366 177.440 176.094 -0.033 0.000 1.041 611 V CA 0.798 63.076 62.300 -0.037 0.000 1.040 611 V CB -0.298 31.484 31.823 -0.069 0.000 0.671 611 V HN 0.071 nan 8.190 nan 0.000 0.455 612 L N 1.500 122.701 121.223 -0.037 0.000 2.865 612 L HA 0.410 4.750 4.340 0.000 0.000 0.233 612 L C 1.683 178.565 176.870 0.020 0.000 1.320 612 L CA 0.469 55.306 54.840 -0.005 0.000 1.225 612 L CB -0.249 41.815 42.059 0.009 0.000 1.542 612 L HN 0.162 nan 8.230 nan 0.000 0.432 613 S N -0.936 114.773 115.700 0.014 0.000 2.377 613 S HA -0.055 4.415 4.470 0.000 0.000 0.223 613 S C 1.208 175.821 174.600 0.021 0.000 1.030 613 S CA 0.973 59.185 58.200 0.021 0.000 0.970 613 S CB 0.035 63.245 63.200 0.017 0.000 0.830 613 S HN 0.624 nan 8.310 nan 0.000 0.473 614 S N 1.599 117.308 115.700 0.016 0.000 3.940 614 S HA 0.521 4.991 4.470 0.000 0.000 0.210 614 S C -0.265 174.345 174.600 0.017 0.000 1.419 614 S CA -0.516 57.692 58.200 0.014 0.000 0.912 614 S CB 0.217 63.423 63.200 0.009 0.000 1.489 614 S HN 0.196 nan 8.310 nan 0.000 0.469 615 T N 0.785 115.352 114.554 0.022 0.000 2.840 615 T HA 0.488 4.838 4.350 0.000 0.000 0.317 615 T C -1.025 173.686 174.700 0.019 0.000 1.401 615 T CA -0.544 61.571 62.100 0.024 0.000 1.028 615 T CB 1.497 70.391 68.868 0.042 0.000 1.317 615 T HN 0.582 nan 8.240 nan 0.000 0.495 616 S N 3.782 119.487 115.700 0.008 0.000 2.592 616 S HA 0.709 5.179 4.470 0.000 0.000 0.305 616 S C -0.481 174.112 174.600 -0.012 0.000 1.118 616 S CA -0.654 57.546 58.200 -0.000 0.000 1.075 616 S CB -0.719 62.477 63.200 -0.006 0.000 1.107 616 S HN 0.583 nan 8.310 nan 0.000 0.503 617 L N 2.466 123.687 121.223 -0.003 0.000 2.493 617 L HA 0.469 4.809 4.340 0.000 0.000 0.265 617 L C 0.094 176.966 176.870 0.004 0.000 0.954 617 L CA -0.718 54.109 54.840 -0.021 0.000 0.844 617 L CB 2.610 44.648 42.059 -0.036 0.000 1.302 617 L HN 0.737 nan 8.230 nan 0.000 0.405 618 S N 1.776 117.474 115.700 -0.002 0.000 2.603 618 S HA 0.380 4.850 4.470 0.000 0.000 0.268 618 S C 1.032 175.655 174.600 0.039 0.000 1.317 618 S CA -0.809 57.402 58.200 0.018 0.000 1.012 618 S CB 1.034 64.242 63.200 0.013 0.000 0.926 618 S HN 0.611 nan 8.310 nan 0.000 0.539 619 L N 0.784 122.038 121.223 0.052 0.000 2.456 619 L HA -0.017 4.323 4.340 0.000 0.000 0.224 619 L C 2.498 179.417 176.870 0.081 0.000 1.148 619 L CA 1.091 55.975 54.840 0.075 0.000 0.825 619 L CB -0.866 41.233 42.059 0.067 0.000 0.937 619 L HN 0.925 nan 8.230 nan 0.000 0.450 620 A N -0.328 122.529 122.820 0.061 0.000 2.195 620 A HA 0.296 4.617 4.320 0.000 0.000 0.210 620 A C 2.299 179.923 177.584 0.066 0.000 1.165 620 A CA 0.838 52.913 52.037 0.062 0.000 0.806 620 A CB -0.135 18.892 19.000 0.046 0.000 0.847 620 A HN 0.299 nan 8.150 nan 0.000 0.482 621 A N -0.768 122.080 122.820 0.046 0.000 2.218 621 A HA 0.351 4.671 4.320 0.000 0.000 0.209 621 A C 1.658 179.257 177.584 0.025 0.000 1.168 621 A CA 1.211 53.255 52.037 0.012 0.000 0.804 621 A CB -0.089 18.876 19.000 -0.059 0.000 0.834 621 A HN 0.290 nan 8.150 nan 0.000 0.482 622 V N -0.485 119.508 119.914 0.132 0.000 3.048 622 V HA -0.039 4.081 4.120 0.000 0.000 0.241 622 V C 2.076 178.370 176.094 0.334 0.000 1.129 622 V CA 1.302 63.794 62.300 0.321 0.000 1.128 622 V CB -0.532 31.495 31.823 0.339 0.000 0.849 622 V HN 0.616 nan 8.190 nan 0.000 0.475 623 N N 1.361 120.188 118.700 0.210 0.000 2.364 623 N HA -0.117 4.623 4.740 0.000 0.000 0.183 623 N C 1.596 177.185 175.510 0.132 0.000 1.022 623 N CA 1.459 54.612 53.050 0.171 0.000 0.883 623 N CB -0.055 38.504 38.487 0.121 0.000 0.965 623 N HN 0.443 nan 8.380 nan 0.000 0.438 624 A N -1.138 121.752 122.820 0.116 0.000 1.970 624 A HA -0.029 4.291 4.320 0.000 0.000 0.216 624 A C 1.957 179.497 177.584 -0.073 0.000 1.170 624 A CA 0.757 52.832 52.037 0.063 0.000 0.645 624 A CB -1.070 17.999 19.000 0.115 0.000 0.816 624 A HN 0.644 nan 8.150 nan 0.000 0.447 625 W N 1.056 122.184 121.300 -0.286 0.000 2.467 625 W HA -0.025 4.635 4.660 0.000 0.000 0.275 625 W C 1.969 178.357 176.519 -0.219 0.000 1.239 625 W CA 1.557 58.639 57.345 -0.439 0.000 1.266 625 W CB 0.206 29.659 29.460 -0.012 0.000 1.112 625 W HN 0.183 nan 8.180 nan 0.000 0.576 626 K N 0.286 120.635 120.400 -0.085 0.000 2.031 626 K HA -0.092 4.228 4.320 0.000 0.000 0.205 626 K C 1.623 178.134 176.600 -0.149 0.000 1.049 626 K CA 1.764 57.952 56.287 -0.166 0.000 0.939 626 K CB -0.674 31.923 32.500 0.163 0.000 0.717 626 K HN 0.146 nan 8.250 nan 0.000 0.438 627 V N 1.502 121.412 119.914 -0.007 0.000 2.809 627 V HA -0.121 4.000 4.120 0.000 0.000 0.256 627 V C 2.418 178.483 176.094 -0.048 0.000 1.080 627 V CA 1.554 63.913 62.300 0.098 0.000 1.102 627 V CB -0.425 31.479 31.823 0.134 0.000 0.705 627 V HN 0.396 nan 8.190 nan 0.000 0.475 628 A N -0.111 122.596 122.820 -0.188 0.000 1.943 628 A HA 0.216 4.536 4.320 0.000 0.000 0.213 628 A C 2.377 179.750 177.584 -0.352 0.000 1.181 628 A CA 1.309 53.230 52.037 -0.194 0.000 0.653 628 A CB -0.454 18.465 19.000 -0.135 0.000 0.833 628 A HN 0.479 nan 8.150 nan 0.000 0.451 629 A N 0.211 122.601 122.820 -0.717 0.000 1.873 629 A HA 0.203 4.523 4.320 0.000 0.000 0.215 629 A C 2.487 179.668 177.584 -0.672 0.000 1.186 629 A CA 1.977 53.351 52.037 -1.105 0.000 0.616 629 A CB -1.015 16.443 19.000 -2.569 0.000 0.823 629 A HN 0.956 nan 8.150 nan 0.000 0.442 630 A N -0.329 122.217 122.820 -0.457 0.000 1.877 630 A HA -0.188 4.132 4.320 0.000 0.000 0.216 630 A C 2.045 179.498 177.584 -0.218 0.000 1.186 630 A CA 1.815 53.791 52.037 -0.101 0.000 0.620 630 A CB -0.629 18.220 19.000 -0.253 0.000 0.822 630 A HN 0.672 nan 8.150 nan 0.000 0.443 631 E N -0.302 119.781 120.200 -0.195 0.000 2.097 631 E HA -0.219 4.131 4.350 0.000 0.000 0.196 631 E C 2.180 178.717 176.600 -0.105 0.000 1.000 631 E CA 1.514 57.850 56.400 -0.107 0.000 0.804 631 E CB -0.184 29.489 29.700 -0.045 0.000 0.740 631 E HN 0.557 nan 8.360 nan 0.000 0.454 632 S N -0.568 115.069 115.700 -0.105 0.000 2.368 632 S HA -0.092 4.378 4.470 0.000 0.000 0.224 632 S C 1.976 176.515 174.600 -0.102 0.000 1.029 632 S CA 1.142 59.319 58.200 -0.037 0.000 0.988 632 S CB -0.252 62.970 63.200 0.037 0.000 0.838 632 S HN 0.445 nan 8.310 nan 0.000 0.462 633 A N 2.386 125.023 122.820 -0.307 0.000 1.877 633 A HA -0.029 4.291 4.320 0.000 0.000 0.216 633 A C 2.180 179.353 177.584 -0.686 0.000 1.186 633 A CA 1.638 53.113 52.037 -0.937 0.000 0.620 633 A CB -1.050 16.839 19.000 -1.852 0.000 0.822 633 A HN 0.825 nan 8.150 nan 0.000 0.443 634 I N -3.085 117.200 120.570 -0.475 0.000 2.361 634 I HA -0.121 4.050 4.170 0.000 0.000 0.251 634 I C 2.273 178.345 176.117 -0.075 0.000 1.133 634 I CA 2.004 63.195 61.300 -0.182 0.000 1.413 634 I CB -0.393 37.587 38.000 -0.033 0.000 1.073 634 I HN 0.246 nan 8.210 nan 0.000 0.424 635 S N 1.069 116.727 115.700 -0.071 0.000 2.395 635 S HA 0.006 4.476 4.470 0.000 0.000 0.225 635 S C 1.984 176.592 174.600 0.012 0.000 1.027 635 S CA 0.607 58.802 58.200 -0.008 0.000 0.965 635 S CB -0.318 62.880 63.200 -0.003 0.000 0.812 635 S HN 0.564 nan 8.310 nan 0.000 0.482 636 L N 0.891 122.109 121.223 -0.008 0.000 1.961 636 L HA -0.098 4.243 4.340 0.000 0.000 0.210 636 L C 2.771 179.724 176.870 0.138 0.000 1.072 636 L CA 2.181 57.050 54.840 0.048 0.000 0.749 636 L CB -1.094 40.956 42.059 -0.014 0.000 0.889 636 L HN 0.400 nan 8.230 nan 0.000 0.432 637 T N -0.637 114.015 114.554 0.163 0.000 2.685 637 T HA -0.300 4.051 4.350 0.000 0.000 0.268 637 T C 1.893 176.650 174.700 0.094 0.000 1.034 637 T CA 1.888 64.057 62.100 0.115 0.000 1.149 637 T CB -0.192 68.640 68.868 -0.061 0.000 0.860 637 T HN 0.369 nan 8.240 nan 0.000 0.449 638 R N -0.244 120.302 120.500 0.076 0.000 2.148 638 R HA 0.005 4.345 4.340 0.000 0.000 0.223 638 R C 2.617 178.988 176.300 0.119 0.000 1.088 638 R CA 1.206 57.362 56.100 0.093 0.000 0.985 638 R CB -0.182 30.169 30.300 0.085 0.000 0.880 638 R HN 0.409 nan 8.270 nan 0.000 0.451 639 Q N 0.471 120.337 119.800 0.111 0.000 1.994 639 Q HA -0.071 4.269 4.340 0.000 0.000 0.198 639 Q C 2.019 178.101 176.000 0.138 0.000 0.976 639 Q CA 1.480 57.351 55.803 0.113 0.000 0.828 639 Q CB -0.125 28.667 28.738 0.089 0.000 0.894 639 Q HN 0.051 nan 8.270 nan 0.000 0.432 640 V N 1.154 121.156 119.914 0.146 0.000 2.317 640 V HA -0.355 3.765 4.120 0.000 0.000 0.251 640 V C 2.317 178.516 176.094 0.176 0.000 1.065 640 V CA 2.402 64.797 62.300 0.158 0.000 1.049 640 V CB -0.622 31.311 31.823 0.183 0.000 0.651 640 V HN 0.344 nan 8.190 nan 0.000 0.450 641 R N -0.287 120.325 120.500 0.187 0.000 2.073 641 R HA -0.190 4.151 4.340 0.000 0.000 0.234 641 R C 2.395 178.947 176.300 0.420 0.000 1.134 641 R CA 1.646 57.913 56.100 0.277 0.000 0.952 641 R CB -0.314 30.136 30.300 0.248 0.000 0.850 641 R HN 0.455 nan 8.270 nan 0.000 0.433 642 E N 0.054 120.441 120.200 0.311 0.000 2.150 642 E HA -0.104 4.246 4.350 0.000 0.000 0.193 642 E C 1.638 178.386 176.600 0.246 0.000 0.985 642 E CA 1.565 58.148 56.400 0.304 0.000 0.814 642 E CB -0.025 29.801 29.700 0.210 0.000 0.752 642 E HN 0.196 nan 8.360 nan 0.000 0.466 643 T N 0.383 115.054 114.554 0.196 0.000 2.708 643 T HA -0.164 4.186 4.350 0.000 0.000 0.266 643 T C 1.506 176.280 174.700 0.124 0.000 1.037 643 T CA 1.361 63.546 62.100 0.142 0.000 1.146 643 T CB -0.607 68.339 68.868 0.130 0.000 0.865 643 T HN 0.265 nan 8.240 nan 0.000 0.435 644 F N 0.782 120.715 119.950 -0.028 0.000 2.046 644 F HA -0.127 4.401 4.527 0.000 0.000 0.297 644 F C 1.671 177.336 175.800 -0.225 0.000 1.123 644 F CA 1.151 59.035 58.000 -0.193 0.000 1.199 644 F CB -0.705 38.061 39.000 -0.390 0.000 0.972 644 F HN 0.207 nan 8.300 nan 0.000 0.474 645 W N 0.293 121.570 121.300 -0.038 0.000 2.721 645 W HA -0.025 4.635 4.660 0.000 0.000 0.245 645 W C 2.362 178.814 176.519 -0.112 0.000 1.276 645 W CA 0.755 58.013 57.345 -0.145 0.000 1.342 645 W CB -0.460 29.034 29.460 0.056 0.000 1.135 645 W HN -0.046 nan 8.180 nan 0.000 0.654 646 S N -0.368 115.375 115.700 0.071 0.000 2.441 646 S HA 0.240 4.710 4.470 0.000 0.000 0.224 646 S C 1.195 175.784 174.600 -0.019 0.000 1.043 646 S CA 0.165 58.398 58.200 0.055 0.000 0.948 646 S CB -0.368 62.877 63.200 0.075 0.000 0.810 646 S HN 0.062 nan 8.310 nan 0.000 0.504 647 A N 1.774 124.545 122.820 -0.083 0.000 2.388 647 A HA 0.725 5.045 4.320 0.000 0.000 0.257 647 A C 0.440 177.937 177.584 -0.145 0.000 1.095 647 A CA -0.393 51.588 52.037 -0.092 0.000 0.791 647 A CB 0.016 18.969 19.000 -0.079 0.000 1.029 647 A HN 0.458 nan 8.150 nan 0.000 0.489 648 A N 1.699 124.469 122.820 -0.083 0.000 2.466 648 A HA 0.404 4.724 4.320 0.000 0.000 0.238 648 A C 1.597 179.125 177.584 -0.093 0.000 1.074 648 A CA 0.339 52.330 52.037 -0.077 0.000 0.774 648 A CB -0.188 18.792 19.000 -0.033 0.000 1.015 648 A HN 1.903 nan 8.150 nan 0.000 0.498 649 S N 0.532 116.183 115.700 -0.082 0.000 2.419 649 S HA -0.205 4.265 4.470 0.000 0.000 0.235 649 S C 1.502 176.139 174.600 0.062 0.000 1.019 649 S CA 1.851 60.035 58.200 -0.026 0.000 0.982 649 S CB -1.271 61.919 63.200 -0.018 0.000 0.789 649 S HN 1.278 nan 8.310 nan 0.000 0.490 650 T N -1.417 113.157 114.554 0.033 0.000 3.098 650 T HA 0.135 4.485 4.350 0.000 0.000 0.266 650 T C 1.306 176.026 174.700 0.033 0.000 1.145 650 T CA 1.004 63.134 62.100 0.049 0.000 1.092 650 T CB -0.375 68.510 68.868 0.028 0.000 0.908 650 T HN 0.377 nan 8.240 nan 0.000 0.526 651 S N 0.673 116.381 115.700 0.013 0.000 2.701 651 S HA 0.355 4.825 4.470 0.000 0.000 0.242 651 S C 0.638 175.244 174.600 0.009 0.000 1.025 651 S CA -0.468 57.733 58.200 0.000 0.000 1.016 651 S CB 0.379 63.571 63.200 -0.014 0.000 0.977 651 S HN 0.638 nan 8.310 nan 0.000 0.546 652 S N 2.900 118.626 115.700 0.042 0.000 2.561 652 S HA 0.039 4.509 4.470 0.000 0.000 0.294 652 S C -1.800 172.855 174.600 0.092 0.000 1.294 652 S CA -0.554 57.715 58.200 0.116 0.000 1.055 652 S CB 0.608 63.955 63.200 0.246 0.000 0.819 652 S HN 0.066 nan 8.310 nan 0.000 0.503 653 P HA 0.115 nan 4.420 nan 0.000 0.229 653 P C 1.062 178.425 177.300 0.106 0.000 1.160 653 P CA 0.979 64.152 63.100 0.122 0.000 0.777 653 P CB -0.050 31.781 31.700 0.218 0.000 0.814 654 A N -0.134 122.747 122.820 0.102 0.000 1.969 654 A HA -0.096 4.224 4.320 0.000 0.000 0.218 654 A C 1.905 179.411 177.584 -0.130 0.000 1.169 654 A CA 0.988 53.069 52.037 0.073 0.000 0.635 654 A CB -1.512 17.430 19.000 -0.097 0.000 0.810 654 A HN 0.139 nan 8.150 nan 0.000 0.445 655 L N 0.734 121.828 121.223 -0.216 0.000 2.642 655 L HA -0.083 4.258 4.340 0.000 0.000 0.236 655 L C 1.940 178.682 176.870 -0.213 0.000 1.169 655 L CA 1.115 55.828 54.840 -0.212 0.000 0.851 655 L CB -0.312 41.668 42.059 -0.133 0.000 0.968 655 L HN 0.596 nan 8.230 nan 0.000 0.453 656 S N -3.013 112.486 115.700 -0.335 0.000 2.629 656 S HA 0.120 4.590 4.470 0.000 0.000 0.236 656 S C 0.873 175.032 174.600 -0.735 0.000 1.010 656 S CA -0.448 57.453 58.200 -0.499 0.000 0.981 656 S CB 0.197 63.048 63.200 -0.581 0.000 0.919 656 S HN 0.340 nan 8.310 nan 0.000 0.514 657 Y N 0.005 120.104 120.300 -0.334 0.000 2.572 657 Y HA 0.528 5.079 4.550 0.000 0.000 0.274 657 Y C 0.424 176.039 175.900 -0.475 0.000 1.135 657 Y CA -1.018 56.697 58.100 -0.642 0.000 1.230 657 Y CB -0.058 37.488 38.460 -1.524 0.000 1.293 657 Y HN 0.210 nan 8.280 nan 0.000 0.501 658 L N 1.863 123.052 121.223 -0.057 0.000 2.453 658 L HA 0.142 4.482 4.340 0.000 0.000 0.272 658 L C 0.901 177.804 176.870 0.055 0.000 1.182 658 L CA -0.299 54.625 54.840 0.140 0.000 0.858 658 L CB 0.439 42.533 42.059 0.059 0.000 1.120 658 L HN 0.230 nan 8.230 nan 0.000 0.474 659 S N 5.018 120.776 115.700 0.097 0.000 2.566 659 S HA 0.159 4.629 4.470 0.000 0.000 0.280 659 S C -1.690 172.926 174.600 0.028 0.000 1.343 659 S CA -0.612 57.624 58.200 0.059 0.000 1.036 659 S CB 0.487 63.728 63.200 0.069 0.000 0.866 659 S HN 0.609 nan 8.310 nan 0.000 0.526 660 P HA -0.076 nan 4.420 nan 0.000 0.218 660 P C 1.371 178.679 177.300 0.014 0.000 1.148 660 P CA 1.328 64.430 63.100 0.004 0.000 0.822 660 P CB 0.078 31.775 31.700 -0.005 0.000 0.784 661 R N -1.062 119.446 120.500 0.014 0.000 2.066 661 R HA -0.017 4.323 4.340 0.000 0.000 0.224 661 R C 2.319 178.635 176.300 0.026 0.000 1.122 661 R CA 1.950 58.057 56.100 0.012 0.000 0.974 661 R CB -1.426 28.872 30.300 -0.003 0.000 0.871 661 R HN 0.288 nan 8.270 nan 0.000 0.435 662 T N -1.317 113.258 114.554 0.035 0.000 3.035 662 T HA -0.151 4.199 4.350 0.000 0.000 0.268 662 T C 1.834 176.592 174.700 0.097 0.000 1.109 662 T CA 0.795 62.928 62.100 0.055 0.000 1.119 662 T CB -0.015 68.885 68.868 0.055 0.000 0.900 662 T HN 0.194 nan 8.240 nan 0.000 0.503 663 Q N 0.271 120.118 119.800 0.078 0.000 2.364 663 Q HA 0.047 4.388 4.340 0.000 0.000 0.207 663 Q C 2.019 178.105 176.000 0.145 0.000 0.970 663 Q CA 0.848 56.702 55.803 0.086 0.000 0.888 663 Q CB -0.332 28.421 28.738 0.024 0.000 0.951 663 Q HN 0.664 nan 8.270 nan 0.000 0.469 664 I N -0.080 120.556 120.570 0.110 0.000 2.353 664 I HA -0.228 3.943 4.170 0.000 0.000 0.248 664 I C 1.984 178.197 176.117 0.159 0.000 1.119 664 I CA 0.328 61.695 61.300 0.111 0.000 1.417 664 I CB -0.025 38.007 38.000 0.053 0.000 1.078 664 I HN 0.283 nan 8.210 nan 0.000 0.421 665 L N -0.084 121.234 121.223 0.158 0.000 2.131 665 L HA -0.182 4.159 4.340 0.000 0.000 0.206 665 L C 2.376 179.391 176.870 0.243 0.000 1.087 665 L CA 1.673 56.630 54.840 0.195 0.000 0.767 665 L CB -0.916 41.219 42.059 0.128 0.000 0.917 665 L HN 0.206 nan 8.230 nan 0.000 0.441 666 Y N 0.371 120.731 120.300 0.100 0.000 2.097 666 Y HA -0.304 4.246 4.550 0.000 0.000 0.282 666 Y C 2.416 178.364 175.900 0.080 0.000 1.152 666 Y CA 2.380 60.527 58.100 0.078 0.000 1.136 666 Y CB -0.453 38.048 38.460 0.068 0.000 0.975 666 Y HN 0.229 nan 8.280 nan 0.000 0.498 667 A N -0.229 122.780 122.820 0.315 0.000 1.933 667 A HA -0.206 4.114 4.320 0.000 0.000 0.218 667 A C 2.138 179.795 177.584 0.121 0.000 1.175 667 A CA 1.508 53.666 52.037 0.200 0.000 0.628 667 A CB -1.495 17.628 19.000 0.206 0.000 0.814 667 A HN 0.679 nan 8.150 nan 0.000 0.444 668 F N 0.861 120.828 119.950 0.029 0.000 2.102 668 F HA -0.152 4.376 4.527 0.000 0.000 0.298 668 F C 2.174 177.966 175.800 -0.013 0.000 1.105 668 F CA 2.071 60.078 58.000 0.011 0.000 1.239 668 F CB -0.470 38.540 39.000 0.016 0.000 0.991 668 F HN 0.026 nan 8.300 nan 0.000 0.474 669 V N 1.080 120.868 119.914 -0.210 0.000 2.323 669 V HA -0.189 3.931 4.120 0.000 0.000 0.244 669 V C 2.637 178.563 176.094 -0.280 0.000 1.041 669 V CA 1.840 63.946 62.300 -0.322 0.000 1.025 669 V CB -0.660 31.084 31.823 -0.131 0.000 0.656 669 V HN 0.236 nan 8.190 nan 0.000 0.451 670 R N -0.156 120.171 120.500 -0.287 0.000 2.090 670 R HA -0.057 4.284 4.340 0.000 0.000 0.228 670 R C 2.197 178.405 176.300 -0.154 0.000 1.110 670 R CA 1.075 57.014 56.100 -0.269 0.000 0.973 670 R CB -0.220 29.804 30.300 -0.460 0.000 0.869 670 R HN 0.526 nan 8.270 nan 0.000 0.440 671 E N 0.522 120.652 120.200 -0.116 0.000 2.057 671 E HA -0.021 4.329 4.350 0.000 0.000 0.191 671 E C 1.946 178.494 176.600 -0.087 0.000 0.959 671 E CA 0.686 57.048 56.400 -0.063 0.000 0.828 671 E CB -0.215 29.483 29.700 -0.002 0.000 0.800 671 E HN 0.337 nan 8.360 nan 0.000 0.460 672 E N 0.793 120.920 120.200 -0.122 0.000 2.106 672 E HA -0.051 4.300 4.350 0.000 0.000 0.192 672 E C 1.996 178.459 176.600 -0.227 0.000 0.984 672 E CA 0.642 56.957 56.400 -0.141 0.000 0.806 672 E CB 0.038 29.685 29.700 -0.090 0.000 0.750 672 E HN 0.135 nan 8.360 nan 0.000 0.458 673 L N -0.587 120.423 121.223 -0.355 0.000 2.567 673 L HA 0.186 4.526 4.340 0.000 0.000 0.225 673 L C 1.528 178.315 176.870 -0.138 0.000 1.119 673 L CA 0.318 54.992 54.840 -0.276 0.000 0.871 673 L CB 0.083 41.914 42.059 -0.379 0.000 1.036 673 L HN 0.282 nan 8.230 nan 0.000 0.459 674 G N 0.822 109.552 108.800 -0.117 0.000 2.196 674 G HA2 -0.317 3.643 3.960 0.000 0.000 0.268 674 G HA3 -0.317 3.643 3.960 0.000 0.000 0.268 674 G C 0.446 175.328 174.900 -0.030 0.000 0.975 674 G CA 0.528 45.593 45.100 -0.058 0.000 0.648 674 G HN 0.262 nan 8.290 nan 0.000 0.538 675 V N 1.530 121.421 119.914 -0.037 0.000 2.405 675 V HA 0.600 4.720 4.120 0.000 0.000 0.264 675 V C 0.457 176.549 176.094 -0.003 0.000 1.048 675 V CA -0.686 61.631 62.300 0.027 0.000 0.966 675 V CB 0.642 32.516 31.823 0.084 0.000 1.015 675 V HN 0.249 nan 8.190 nan 0.000 0.477 676 K N 5.134 125.558 120.400 0.040 0.000 2.240 676 K HA 0.711 5.031 4.320 0.000 0.000 0.237 676 K C 0.296 176.952 176.600 0.093 0.000 1.027 676 K CA -0.115 56.193 56.287 0.036 0.000 0.937 676 K CB 1.410 33.955 32.500 0.075 0.000 1.171 676 K HN 0.802 nan 8.250 nan 0.000 0.479 677 A N 0.915 123.820 122.820 0.142 0.000 2.406 677 A HA 0.163 4.483 4.320 0.000 0.000 0.243 677 A C 0.039 177.874 177.584 0.417 0.000 1.082 677 A CA 0.072 52.256 52.037 0.245 0.000 0.786 677 A CB 0.164 19.341 19.000 0.295 0.000 1.029 677 A HN 0.572 nan 8.150 nan 0.000 0.495 678 R N 0.784 121.475 120.500 0.318 0.000 2.343 678 R HA 0.296 4.636 4.340 0.000 0.000 0.320 678 R C 0.764 177.037 176.300 -0.045 0.000 0.956 678 R CA -0.809 55.348 56.100 0.096 0.000 0.836 678 R CB 0.765 30.998 30.300 -0.113 0.000 1.151 678 R HN 0.863 nan 8.270 nan 0.000 0.450 679 R N 1.867 122.147 120.500 -0.367 0.000 2.062 679 R HA 0.048 4.388 4.340 0.000 0.000 0.229 679 R C 0.207 176.291 176.300 -0.360 0.000 1.128 679 R CA 1.298 56.973 56.100 -0.709 0.000 0.960 679 R CB 0.061 29.777 30.300 -0.974 0.000 0.855 679 R HN 0.906 nan 8.270 nan 0.000 0.432 680 G N 1.169 109.832 108.800 -0.229 0.000 3.160 680 G HA2 -0.081 3.880 3.960 0.000 0.000 0.573 680 G HA3 -0.081 3.880 3.960 0.000 0.000 0.573 680 G C -0.454 174.422 174.900 -0.040 0.000 1.286 680 G CA -0.317 44.706 45.100 -0.128 0.000 1.151 680 G HN -0.011 nan 8.290 nan 0.000 0.555 681 D N 0.741 121.125 120.400 -0.026 0.000 2.230 681 D HA -0.216 4.424 4.640 0.000 0.000 0.189 681 D C 2.839 179.141 176.300 0.003 0.000 1.006 681 D CA 2.057 56.054 54.000 -0.005 0.000 0.853 681 D CB -0.221 40.585 40.800 0.010 0.000 0.959 681 D HN 0.464 nan 8.370 nan 0.000 0.449 682 V N 0.665 120.586 119.914 0.012 0.000 2.218 682 V HA -0.322 3.799 4.120 0.000 0.000 0.251 682 V C 2.148 178.254 176.094 0.019 0.000 1.057 682 V CA 2.174 64.482 62.300 0.014 0.000 1.022 682 V CB -0.818 31.015 31.823 0.016 0.000 0.645 682 V HN 0.142 nan 8.190 nan 0.000 0.451 683 F N 0.362 120.254 119.950 -0.097 0.000 2.043 683 F HA -0.272 4.255 4.527 0.000 0.000 0.297 683 F C 2.127 177.864 175.800 -0.106 0.000 1.118 683 F CA 2.172 60.108 58.000 -0.106 0.000 1.202 683 F CB -0.479 38.433 39.000 -0.147 0.000 0.965 683 F HN 0.033 nan 8.300 nan 0.000 0.482 684 L N 0.167 121.394 121.223 0.006 0.000 2.349 684 L HA -0.063 4.278 4.340 0.000 0.000 0.220 684 L C 1.826 178.615 176.870 -0.134 0.000 1.130 684 L CA 0.887 55.671 54.840 -0.092 0.000 0.791 684 L CB -1.491 40.552 42.059 -0.026 0.000 0.918 684 L HN 0.559 nan 8.230 nan 0.000 0.444 685 G N 0.974 109.708 108.800 -0.110 0.000 2.249 685 G HA2 -0.333 3.628 3.960 0.000 0.000 0.273 685 G HA3 -0.333 3.628 3.960 0.000 0.000 0.273 685 G C 0.114 174.980 174.900 -0.057 0.000 1.036 685 G CA 0.786 45.832 45.100 -0.090 0.000 0.824 685 G HN 0.458 nan 8.290 nan 0.000 0.504 686 K N -0.587 119.789 120.400 -0.040 0.000 2.527 686 K HA 0.458 4.778 4.320 0.000 0.000 0.260 686 K C -0.694 175.899 176.600 -0.012 0.000 0.937 686 K CA -0.787 55.485 56.287 -0.025 0.000 0.826 686 K CB 1.143 33.627 32.500 -0.027 0.000 1.359 686 K HN 0.123 nan 8.250 nan 0.000 0.434 687 Q N 3.162 122.959 119.800 -0.004 0.000 2.465 687 Q HA 0.150 4.490 4.340 0.000 0.000 0.237 687 Q C -0.746 175.259 176.000 0.009 0.000 1.051 687 Q CA -0.375 55.431 55.803 0.005 0.000 0.874 687 Q CB 1.284 30.026 28.738 0.008 0.000 1.207 687 Q HN 0.450 nan 8.270 nan 0.000 0.508 688 E N 0.644 120.851 120.200 0.011 0.000 2.376 688 E HA 0.188 4.538 4.350 0.000 0.000 0.254 688 E C 0.158 176.774 176.600 0.027 0.000 1.213 688 E CA -0.727 55.684 56.400 0.018 0.000 0.945 688 E CB 0.632 30.344 29.700 0.021 0.000 1.057 688 E HN 0.332 nan 8.360 nan 0.000 0.479 689 V N -0.479 119.455 119.914 0.032 0.000 2.644 689 V HA -0.037 4.083 4.120 0.000 0.000 0.305 689 V C 0.671 176.791 176.094 0.043 0.000 1.053 689 V CA -0.285 62.036 62.300 0.035 0.000 1.186 689 V CB -0.620 31.226 31.823 0.039 0.000 0.895 689 V HN 0.801 nan 8.190 nan 0.000 0.490 690 T N 2.366 116.940 114.554 0.033 0.000 2.855 690 T HA 0.202 4.553 4.350 0.000 0.000 0.322 690 T C 1.126 175.844 174.700 0.029 0.000 1.088 690 T CA 0.485 62.603 62.100 0.032 0.000 1.104 690 T CB 0.289 69.166 68.868 0.015 0.000 0.996 690 T HN 0.555 nan 8.240 nan 0.000 0.549 691 I N 1.801 122.386 120.570 0.024 0.000 2.226 691 I HA -0.048 4.122 4.170 0.000 0.000 0.245 691 I C 2.913 178.932 176.117 -0.163 0.000 1.100 691 I CA 1.641 62.909 61.300 -0.053 0.000 1.374 691 I CB -1.134 36.842 38.000 -0.041 0.000 1.057 691 I HN 0.938 nan 8.210 nan 0.000 0.413 692 G N 0.262 109.004 108.800 -0.097 0.000 2.440 692 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 692 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 692 G C 1.757 176.623 174.900 -0.057 0.000 1.154 692 G CA 1.084 46.131 45.100 -0.087 0.000 0.767 692 G HN 0.377 nan 8.290 nan 0.000 0.552 693 S N 0.455 116.140 115.700 -0.024 0.000 2.400 693 S HA -0.133 4.337 4.470 0.000 0.000 0.232 693 S C 2.113 176.721 174.600 0.014 0.000 1.025 693 S CA 1.380 59.582 58.200 0.003 0.000 0.993 693 S CB -0.333 62.877 63.200 0.016 0.000 0.808 693 S HN 0.608 nan 8.310 nan 0.000 0.478 694 N N 0.322 119.026 118.700 0.006 0.000 2.207 694 N HA -0.003 4.737 4.740 0.000 0.000 0.182 694 N C 1.604 177.132 175.510 0.030 0.000 1.020 694 N CA 0.828 53.908 53.050 0.050 0.000 0.858 694 N CB -0.034 38.539 38.487 0.144 0.000 0.991 694 N HN 0.105 nan 8.380 nan 0.000 0.427 695 V N 0.745 120.601 119.914 -0.097 0.000 2.343 695 V HA -0.204 3.916 4.120 0.000 0.000 0.247 695 V C 2.091 178.214 176.094 0.048 0.000 1.051 695 V CA 1.515 63.777 62.300 -0.063 0.000 1.036 695 V CB -0.490 31.235 31.823 -0.162 0.000 0.654 695 V HN 0.269 nan 8.190 nan 0.000 0.451 696 S N -0.411 115.306 115.700 0.028 0.000 2.387 696 S HA -0.251 4.219 4.470 0.000 0.000 0.230 696 S C 1.951 176.650 174.600 0.165 0.000 1.035 696 S CA 1.596 59.852 58.200 0.092 0.000 1.014 696 S CB -0.284 62.943 63.200 0.046 0.000 0.836 696 S HN 0.624 nan 8.310 nan 0.000 0.466 697 K N 0.608 121.069 120.400 0.102 0.000 2.148 697 K HA 0.080 4.401 4.320 0.000 0.000 0.204 697 K C 1.920 178.571 176.600 0.085 0.000 1.050 697 K CA 0.947 57.282 56.287 0.079 0.000 0.942 697 K CB -0.238 32.286 32.500 0.040 0.000 0.724 697 K HN 0.369 nan 8.250 nan 0.000 0.446 698 I N 0.106 120.745 120.570 0.114 0.000 2.286 698 I HA -0.267 3.904 4.170 0.000 0.000 0.245 698 I C 2.400 178.612 176.117 0.158 0.000 1.104 698 I CA 1.019 62.397 61.300 0.129 0.000 1.397 698 I CB -0.310 37.786 38.000 0.159 0.000 1.072 698 I HN 0.115 nan 8.210 nan 0.000 0.417 699 Y N 2.276 122.602 120.300 0.045 0.000 2.128 699 Y HA -0.289 4.261 4.550 0.000 0.000 0.284 699 Y C 2.386 178.307 175.900 0.035 0.000 1.154 699 Y CA 1.807 59.922 58.100 0.026 0.000 1.149 699 Y CB -0.364 38.094 38.460 -0.004 0.000 0.976 699 Y HN 0.169 nan 8.280 nan 0.000 0.505 700 E N -0.031 120.149 120.200 -0.033 0.000 2.153 700 E HA -0.163 4.187 4.350 0.000 0.000 0.194 700 E C 2.300 178.855 176.600 -0.074 0.000 0.988 700 E CA 0.791 57.115 56.400 -0.127 0.000 0.811 700 E CB -0.284 29.434 29.700 0.031 0.000 0.746 700 E HN 0.608 nan 8.360 nan 0.000 0.466 701 A N 0.967 123.801 122.820 0.023 0.000 1.969 701 A HA -0.114 4.206 4.320 0.000 0.000 0.218 701 A C 2.094 179.718 177.584 0.065 0.000 1.169 701 A CA 0.806 52.912 52.037 0.115 0.000 0.635 701 A CB -0.350 18.814 19.000 0.274 0.000 0.810 701 A HN 0.118 nan 8.150 nan 0.000 0.445 702 I N -0.737 119.830 120.570 -0.005 0.000 2.233 702 I HA -0.163 4.008 4.170 0.000 0.000 0.243 702 I C 2.142 178.198 176.117 -0.102 0.000 1.093 702 I CA 0.932 62.208 61.300 -0.039 0.000 1.380 702 I CB -0.174 37.804 38.000 -0.036 0.000 1.067 702 I HN 0.084 nan 8.210 nan 0.000 0.413 703 K N 0.867 121.125 120.400 -0.236 0.000 2.148 703 K HA -0.077 4.244 4.320 0.000 0.000 0.204 703 K C 2.213 178.750 176.600 -0.106 0.000 1.050 703 K CA 1.688 57.840 56.287 -0.225 0.000 0.942 703 K CB -0.580 31.672 32.500 -0.413 0.000 0.724 703 K HN 0.415 nan 8.250 nan 0.000 0.446 704 S N -0.890 114.764 115.700 -0.076 0.000 2.496 704 S HA 0.075 4.545 4.470 0.000 0.000 0.224 704 S C 1.545 176.148 174.600 0.005 0.000 0.996 704 S CA 0.906 59.091 58.200 -0.024 0.000 0.927 704 S CB 0.048 63.246 63.200 -0.003 0.000 0.774 704 S HN 0.399 nan 8.310 nan 0.000 0.524 705 G N 1.739 110.544 108.800 0.007 0.000 2.175 705 G HA2 -0.343 3.618 3.960 0.000 0.000 0.244 705 G HA3 -0.343 3.618 3.960 0.000 0.000 0.244 705 G C 0.860 175.762 174.900 0.002 0.000 0.982 705 G CA 0.425 45.540 45.100 0.024 0.000 0.641 705 G HN 0.532 nan 8.290 nan 0.000 0.527 706 R N 0.267 120.782 120.500 0.024 0.000 2.119 706 R HA -0.033 4.307 4.340 0.000 0.000 0.246 706 R C 2.502 178.728 176.300 -0.124 0.000 1.146 706 R CA 2.006 58.123 56.100 0.029 0.000 0.962 706 R CB -0.343 30.056 30.300 0.166 0.000 0.863 706 R HN 0.618 nan 8.270 nan 0.000 0.442 707 I N 1.127 121.610 120.570 -0.145 0.000 2.614 707 I HA -0.263 3.908 4.170 0.000 0.000 0.258 707 I C 0.898 176.847 176.117 -0.280 0.000 1.189 707 I CA 1.035 62.103 61.300 -0.386 0.000 1.462 707 I CB -0.161 37.760 38.000 -0.133 0.000 1.092 707 I HN 0.277 nan 8.210 nan 0.000 0.442 708 N N 1.816 120.425 118.700 -0.151 0.000 2.037 708 N HA -0.258 4.482 4.740 0.000 0.000 0.196 708 N C 1.456 176.885 175.510 -0.134 0.000 1.034 708 N CA 1.804 54.784 53.050 -0.116 0.000 0.861 708 N CB -0.862 37.587 38.487 -0.063 0.000 1.039 708 N HN 0.397 nan 8.380 nan 0.000 0.427 709 N N 0.327 118.943 118.700 -0.139 0.000 2.289 709 N HA -0.067 4.673 4.740 0.000 0.000 0.184 709 N C 1.746 177.161 175.510 -0.157 0.000 1.016 709 N CA 0.431 53.407 53.050 -0.123 0.000 0.872 709 N CB -0.316 38.113 38.487 -0.097 0.000 0.973 709 N HN 0.102 nan 8.380 nan 0.000 0.433 710 V N 1.594 121.352 119.914 -0.259 0.000 2.307 710 V HA -0.163 3.957 4.120 0.000 0.000 0.245 710 V C 2.436 178.434 176.094 -0.160 0.000 1.045 710 V CA 1.144 63.286 62.300 -0.263 0.000 1.024 710 V CB -0.527 30.995 31.823 -0.501 0.000 0.651 710 V HN 0.214 nan 8.190 nan 0.000 0.449 711 L N -0.757 120.372 121.223 -0.157 0.000 2.012 711 L HA -0.204 4.136 4.340 0.000 0.000 0.210 711 L C 2.500 179.319 176.870 -0.085 0.000 1.073 711 L CA 1.400 56.179 54.840 -0.102 0.000 0.748 711 L CB -0.646 41.357 42.059 -0.093 0.000 0.891 711 L HN 0.341 nan 8.230 nan 0.000 0.431 712 L N 0.399 121.568 121.223 -0.090 0.000 2.012 712 L HA -0.161 4.179 4.340 0.000 0.000 0.210 712 L C 1.710 178.541 176.870 -0.063 0.000 1.073 712 L CA 1.637 56.432 54.840 -0.075 0.000 0.748 712 L CB -0.520 41.495 42.059 -0.073 0.000 0.891 712 L HN 0.108 nan 8.230 nan 0.000 0.431 716 A N 0.000 122.794 122.820 -0.044 0.000 2.254 716 A HA 0.000 4.320 4.320 0.000 0.000 0.244 716 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 716 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486