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 1cf1_1_C DATA FIRST_RESID 7 DATA SEQUENCE APNHVIFKKI SRDKSVTIYL GKRDYIDHVE RVEPVDGVVL VDPELVKGKR DATA SEQUENCE VYVSLTCAFR YGQEDIDVMG LSFRRDLYFS QVQVFPPVGA SGATTRLQES DATA SEQUENCE LIKKLGANTY PFLLTFPDYL PCSVMLQPAP QDVGKSCGVD FEIKAFATHS DATA SEQUENCE TDVEEDKIPK KSSVRLLIRK VQHAPRDMGP QPRAEASWQF FMSDKPLRLA DATA SEQUENCE VSLSKEIYYH GEPIPVTVAV TNSTEKTVKK IKVLVEQVTN VVLYSSDYYI DATA SEQUENCE KTVAAEEAQE KVPPNSSLTK TLTLVPLLAN NRERRGIALD GKIKHEDTNL DATA SEQUENCE ASSTIIKEGI DKTVMGILVS YQIKVKLTVS GLLGELTSSE VATEVPFRLM DATA SEQUENCE HPQPEDPDXX XXXXXDENFV FEEFARQNLK DAGEYKE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.572 177.584 -0.021 0.000 1.274 7 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 7 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 8 P HA 0.092 nan 4.420 nan 0.000 0.210 8 P C 0.419 177.732 177.300 0.022 0.000 1.192 8 P CA 1.287 64.382 63.100 -0.009 0.000 0.913 8 P CB -0.421 31.273 31.700 -0.010 0.000 0.774 9 N N 0.930 119.647 118.700 0.028 0.000 1.960 9 N HA -0.114 4.626 4.740 -0.000 0.000 0.295 9 N C -0.149 175.425 175.510 0.108 0.000 1.364 9 N CA 0.897 53.976 53.050 0.049 0.000 0.887 9 N CB -0.946 37.554 38.487 0.023 0.000 1.226 9 N HN 0.715 nan 8.380 nan 0.000 0.492 10 H N 1.869 120.940 119.070 0.001 0.000 2.792 10 H HA 0.266 4.822 4.556 -0.000 0.000 0.298 10 H C -0.581 174.700 175.328 -0.079 0.000 1.042 10 H CA -0.850 55.203 56.048 0.008 0.000 1.300 10 H CB 0.708 30.547 29.762 0.129 0.000 1.431 10 H HN 0.038 nan 8.280 nan 0.000 0.496 11 V N 6.779 126.540 119.914 -0.255 0.000 2.775 11 V HA 0.156 4.276 4.120 -0.000 0.000 0.299 11 V C 0.582 176.167 176.094 -0.849 0.000 1.062 11 V CA 0.014 61.999 62.300 -0.525 0.000 1.063 11 V CB 1.156 32.682 31.823 -0.495 0.000 0.994 11 V HN 0.646 nan 8.190 nan 0.000 0.483 12 I N 3.321 123.317 120.570 -0.958 0.000 2.607 12 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 12 I C -1.191 174.505 176.117 -0.702 0.000 1.129 12 I CA -0.307 60.485 61.300 -0.846 0.000 1.042 12 I CB 2.205 39.633 38.000 -0.954 0.000 1.242 12 I HN 0.443 nan 8.210 nan 0.000 0.421 13 F N 5.222 125.156 119.950 -0.027 0.000 2.422 13 F HA 0.594 5.121 4.527 -0.000 0.000 0.333 13 F C 0.221 176.097 175.800 0.127 0.000 1.095 13 F CA -0.612 57.453 58.000 0.108 0.000 1.038 13 F CB 1.323 40.457 39.000 0.223 0.000 1.156 13 F HN 0.289 nan 8.300 nan 0.000 0.483 14 K N 0.938 121.476 120.400 0.230 0.000 2.512 14 K HA 0.769 5.089 4.320 -0.000 0.000 0.263 14 K C -1.829 174.775 176.600 0.006 0.000 0.966 14 K CA -1.233 55.003 56.287 -0.084 0.000 0.851 14 K CB 2.926 35.154 32.500 -0.454 0.000 1.395 14 K HN 0.618 nan 8.250 nan 0.000 0.440 15 K N 2.163 122.503 120.400 -0.101 0.000 2.535 15 K HA 0.360 4.680 4.320 -0.000 0.000 0.251 15 K C -1.522 175.029 176.600 -0.082 0.000 0.942 15 K CA -0.883 55.382 56.287 -0.037 0.000 0.798 15 K CB 1.713 34.198 32.500 -0.026 0.000 1.267 15 K HN 0.677 nan 8.250 nan 0.000 0.434 16 I N 2.858 123.402 120.570 -0.043 0.000 2.437 16 I HA 0.224 4.394 4.170 -0.000 0.000 0.298 16 I C 0.248 176.356 176.117 -0.015 0.000 0.984 16 I CA 0.153 61.433 61.300 -0.034 0.000 1.214 16 I CB 1.785 39.775 38.000 -0.017 0.000 1.365 16 I HN 0.842 nan 8.210 nan 0.000 0.469 17 S N 6.580 122.273 115.700 -0.011 0.000 2.572 17 S HA 0.016 4.486 4.470 -0.000 0.000 0.267 17 S C 1.483 176.084 174.600 0.001 0.000 1.361 17 S CA 0.242 58.441 58.200 -0.002 0.000 1.009 17 S CB 0.582 63.782 63.200 -0.000 0.000 0.888 17 S HN 0.776 nan 8.310 nan 0.000 0.553 18 R N 0.796 121.299 120.500 0.004 0.000 2.062 18 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 18 R C 1.301 177.603 176.300 0.003 0.000 1.128 18 R CA 1.936 58.039 56.100 0.005 0.000 0.960 18 R CB -0.663 29.640 30.300 0.005 0.000 0.855 18 R HN 0.897 nan 8.270 nan 0.000 0.432 19 D N 0.210 120.611 120.400 0.002 0.000 2.352 19 D HA -0.085 4.555 4.640 -0.000 0.000 0.232 19 D C -0.064 176.234 176.300 -0.003 0.000 1.055 19 D CA 0.254 54.254 54.000 -0.001 0.000 0.891 19 D CB 0.130 40.928 40.800 -0.002 0.000 0.897 19 D HN 0.085 nan 8.370 nan 0.000 0.529 20 K N -0.808 119.590 120.400 -0.002 0.000 3.407 20 K HA -0.201 4.119 4.320 -0.000 0.000 0.312 20 K C 1.235 177.831 176.600 -0.007 0.000 1.302 20 K CA 1.111 57.397 56.287 -0.001 0.000 0.931 20 K CB -2.745 29.756 32.500 0.001 0.000 1.257 20 K HN 0.488 nan 8.250 nan 0.000 0.454 21 S N -1.190 114.500 115.700 -0.016 0.000 2.501 21 S HA 0.203 4.673 4.470 -0.000 0.000 0.220 21 S C 0.806 175.377 174.600 -0.048 0.000 0.997 21 S CA 0.324 58.502 58.200 -0.036 0.000 0.919 21 S CB 0.558 63.732 63.200 -0.045 0.000 0.778 21 S HN 0.069 nan 8.310 nan 0.000 0.523 22 V N 1.405 121.304 119.914 -0.026 0.000 2.760 22 V HA 0.584 4.704 4.120 -0.000 0.000 0.309 22 V C -0.903 175.195 176.094 0.006 0.000 1.077 22 V CA -0.521 61.767 62.300 -0.020 0.000 0.910 22 V CB 2.063 33.866 31.823 -0.033 0.000 1.008 22 V HN 0.331 nan 8.190 nan 0.000 0.424 23 T N 5.363 119.942 114.554 0.042 0.000 2.928 23 T HA 0.641 4.991 4.350 -0.000 0.000 0.296 23 T C -0.547 174.178 174.700 0.041 0.000 1.000 23 T CA -0.254 61.855 62.100 0.016 0.000 0.989 23 T CB 1.236 70.146 68.868 0.070 0.000 1.005 23 T HN 0.396 nan 8.240 nan 0.000 0.442 24 I N 2.783 123.309 120.570 -0.073 0.000 2.437 24 I HA 0.477 4.647 4.170 -0.000 0.000 0.298 24 I C -1.021 175.013 176.117 -0.138 0.000 0.984 24 I CA -0.967 60.351 61.300 0.030 0.000 1.214 24 I CB 1.160 39.168 38.000 0.014 0.000 1.365 24 I HN 0.584 nan 8.210 nan 0.000 0.469 25 Y N 5.751 126.179 120.300 0.213 0.000 2.338 25 Y HA 0.556 5.106 4.550 -0.000 0.000 0.333 25 Y C -0.662 175.338 175.900 0.167 0.000 0.968 25 Y CA -0.711 57.495 58.100 0.178 0.000 1.123 25 Y CB 1.703 40.245 38.460 0.137 0.000 1.165 25 Y HN 0.317 nan 8.280 nan 0.000 0.452 26 L N 1.556 122.966 121.223 0.312 0.000 2.362 26 L HA 0.610 4.949 4.340 -0.000 0.000 0.271 26 L C 1.163 178.213 176.870 0.300 0.000 1.002 26 L CA -0.016 55.017 54.840 0.321 0.000 0.818 26 L CB 2.248 44.552 42.059 0.408 0.000 1.298 26 L HN 0.797 nan 8.230 nan 0.000 0.420 27 G N 2.171 111.097 108.800 0.209 0.000 2.421 27 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.217 27 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.217 27 G C 0.280 175.303 174.900 0.205 0.000 1.143 27 G CA 0.514 45.676 45.100 0.102 0.000 0.784 27 G HN 0.528 nan 8.290 nan 0.000 0.541 28 K N -1.691 118.831 120.400 0.204 0.000 2.509 28 K HA 0.518 4.838 4.320 -0.000 0.000 0.266 28 K C 0.265 176.847 176.600 -0.030 0.000 0.987 28 K CA -0.953 55.337 56.287 0.006 0.000 0.868 28 K CB 1.915 34.177 32.500 -0.397 0.000 1.421 28 K HN -0.206 nan 8.250 nan 0.000 0.444 29 R N 0.346 120.627 120.500 -0.365 0.000 2.189 29 R HA 0.083 4.423 4.340 -0.000 0.000 0.203 29 R C -0.498 175.815 176.300 0.022 0.000 1.012 29 R CA 0.750 56.667 56.100 -0.305 0.000 1.015 29 R CB 0.332 30.110 30.300 -0.870 0.000 0.938 29 R HN 0.585 nan 8.270 nan 0.000 0.472 30 D N -0.300 120.018 120.400 -0.137 0.000 2.505 30 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 30 D C -1.039 175.124 176.300 -0.227 0.000 1.082 30 D CA -0.396 53.569 54.000 -0.057 0.000 0.839 30 D CB 1.498 42.226 40.800 -0.120 0.000 1.317 30 D HN -0.112 nan 8.370 nan 0.000 0.497 31 Y N 0.814 121.071 120.300 -0.072 0.000 2.341 31 Y HA 0.343 4.893 4.550 -0.000 0.000 0.337 31 Y C 0.473 176.291 175.900 -0.137 0.000 1.014 31 Y CA -0.977 57.077 58.100 -0.076 0.000 1.111 31 Y CB 0.969 39.415 38.460 -0.023 0.000 1.194 31 Y HN 0.179 nan 8.280 nan 0.000 0.462 32 I N 3.500 124.064 120.570 -0.010 0.000 2.634 32 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 32 I C 0.145 176.273 176.117 0.018 0.000 1.124 32 I CA -0.033 61.290 61.300 0.039 0.000 1.417 32 I CB 0.370 38.320 38.000 -0.083 0.000 1.396 32 I HN 0.521 nan 8.210 nan 0.000 0.571 33 D N 5.513 125.953 120.400 0.067 0.000 2.389 33 D HA 0.215 4.854 4.640 -0.000 0.000 0.256 33 D C -0.787 175.556 176.300 0.071 0.000 1.239 33 D CA -0.521 53.442 54.000 -0.062 0.000 0.925 33 D CB 0.409 41.127 40.800 -0.137 0.000 1.145 33 D HN 0.621 nan 8.370 nan 0.000 0.542 34 H N -0.087 119.014 119.070 0.051 0.000 2.488 34 H HA 0.354 4.910 4.556 -0.000 0.000 0.347 34 H C 1.574 176.933 175.328 0.051 0.000 1.174 34 H CA -1.193 54.902 56.048 0.079 0.000 1.307 34 H CB 1.323 31.117 29.762 0.053 0.000 1.517 34 H HN -0.079 nan 8.280 nan 0.000 0.554 35 V N 1.236 121.214 119.914 0.106 0.000 2.546 35 V HA -0.295 3.825 4.120 -0.000 0.000 0.254 35 V C 2.018 178.099 176.094 -0.022 0.000 1.076 35 V CA 2.265 64.584 62.300 0.032 0.000 1.087 35 V CB -0.871 30.991 31.823 0.066 0.000 0.674 35 V HN 0.925 nan 8.190 nan 0.000 0.470 36 E N 0.549 120.746 120.200 -0.005 0.000 2.158 36 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 36 E C 0.981 177.507 176.600 -0.123 0.000 0.982 36 E CA 0.523 56.915 56.400 -0.012 0.000 0.823 36 E CB 0.124 29.885 29.700 0.102 0.000 0.766 36 E HN 0.562 nan 8.360 nan 0.000 0.468 37 R N -0.523 119.740 120.500 -0.395 0.000 2.766 37 R HA 0.559 4.899 4.340 -0.000 0.000 0.270 37 R C -1.611 174.408 176.300 -0.468 0.000 1.035 37 R CA -0.741 55.155 56.100 -0.339 0.000 0.911 37 R CB 2.321 32.527 30.300 -0.157 0.000 1.243 37 R HN -0.110 nan 8.270 nan 0.000 0.460 38 V N 0.872 120.667 119.914 -0.199 0.000 2.577 38 V HA 0.290 4.410 4.120 -0.000 0.000 0.303 38 V C -0.424 175.708 176.094 0.064 0.000 1.042 38 V CA -0.972 61.249 62.300 -0.132 0.000 0.872 38 V CB 1.698 33.425 31.823 -0.160 0.000 0.998 38 V HN 0.649 nan 8.190 nan 0.000 0.423 39 E N 5.208 125.476 120.200 0.113 0.000 2.694 39 E HA 0.022 4.372 4.350 -0.000 0.000 0.250 39 E C -2.314 174.520 176.600 0.389 0.000 0.963 39 E CA -0.774 55.766 56.400 0.235 0.000 0.949 39 E CB 0.425 30.270 29.700 0.242 0.000 0.911 39 E HN 0.445 nan 8.360 nan 0.000 0.500 40 P HA 0.028 nan 4.420 nan 0.000 0.274 40 P C -0.821 176.619 177.300 0.234 0.000 1.256 40 P CA -0.382 62.852 63.100 0.222 0.000 0.795 40 P CB 0.647 32.413 31.700 0.109 0.000 1.038 41 V N 2.495 122.407 119.914 -0.005 0.000 2.348 41 V HA 0.241 4.361 4.120 -0.000 0.000 0.270 41 V C -0.050 176.062 176.094 0.031 0.000 1.037 41 V CA -0.134 62.125 62.300 -0.069 0.000 0.872 41 V CB 0.372 32.006 31.823 -0.315 0.000 1.002 41 V HN 0.616 nan 8.190 nan 0.000 0.464 42 D N 3.826 124.251 120.400 0.040 0.000 2.362 42 D HA 0.775 5.415 4.640 -0.000 0.000 0.247 42 D C 0.003 176.083 176.300 -0.366 0.000 1.050 42 D CA -0.408 53.472 54.000 -0.201 0.000 0.839 42 D CB 2.604 43.356 40.800 -0.080 0.000 1.283 42 D HN 0.615 nan 8.370 nan 0.000 0.477 43 G N -0.319 107.916 108.800 -0.943 0.000 2.561 43 G HA2 0.585 4.545 3.960 -0.000 0.000 0.310 43 G HA3 0.585 4.545 3.960 -0.000 0.000 0.310 43 G C -1.273 173.198 174.900 -0.714 0.000 1.292 43 G CA -0.281 44.385 45.100 -0.724 0.000 0.811 43 G HN 0.998 nan 8.290 nan 0.000 0.482 44 V N -2.675 117.182 119.914 -0.094 0.000 3.007 44 V HA 0.888 5.008 4.120 -0.000 0.000 0.311 44 V C -0.725 175.642 176.094 0.455 0.000 1.120 44 V CA -1.060 61.340 62.300 0.167 0.000 0.980 44 V CB 1.469 33.332 31.823 0.068 0.000 1.033 44 V HN 0.851 nan 8.190 nan 0.000 0.429 45 V N 3.745 123.923 119.914 0.439 0.000 2.459 45 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 45 V C -0.462 175.831 176.094 0.331 0.000 1.029 45 V CA -0.465 62.058 62.300 0.371 0.000 0.874 45 V CB 1.503 33.476 31.823 0.251 0.000 0.985 45 V HN 0.854 nan 8.190 nan 0.000 0.438 46 L N 6.103 127.514 121.223 0.314 0.000 2.283 46 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 46 L C -0.286 176.670 176.870 0.143 0.000 1.033 46 L CA 0.122 55.107 54.840 0.241 0.000 0.848 46 L CB 1.312 43.557 42.059 0.310 0.000 1.226 46 L HN 0.536 nan 8.230 nan 0.000 0.429 47 V N 4.652 124.634 119.914 0.114 0.000 2.686 47 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 47 V C -0.321 175.761 176.094 -0.020 0.000 1.057 47 V CA -0.505 61.762 62.300 -0.055 0.000 1.012 47 V CB 1.669 33.282 31.823 -0.351 0.000 1.006 47 V HN 0.803 nan 8.190 nan 0.000 0.477 48 D N 6.537 126.898 120.400 -0.065 0.000 2.428 48 D HA 0.343 4.983 4.640 -0.000 0.000 0.221 48 D C -1.746 174.530 176.300 -0.041 0.000 1.123 48 D CA -1.856 52.127 54.000 -0.027 0.000 0.869 48 D CB 1.896 42.681 40.800 -0.025 0.000 1.032 48 D HN 0.314 nan 8.370 nan 0.000 0.506 49 P HA -0.215 nan 4.420 nan 0.000 0.219 49 P C 1.056 178.369 177.300 0.022 0.000 1.153 49 P CA 1.183 64.310 63.100 0.044 0.000 0.865 49 P CB 0.493 32.243 31.700 0.084 0.000 0.788 50 E N -0.580 119.625 120.200 0.009 0.000 2.006 50 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 50 E C 2.103 178.695 176.600 -0.013 0.000 0.993 50 E CA 1.080 57.482 56.400 0.003 0.000 0.808 50 E CB -1.109 28.592 29.700 0.002 0.000 0.764 50 E HN 0.289 nan 8.360 nan 0.000 0.449 51 L N 0.751 121.959 121.223 -0.026 0.000 2.450 51 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 51 L C 0.860 177.699 176.870 -0.052 0.000 1.149 51 L CA 0.340 55.158 54.840 -0.035 0.000 0.816 51 L CB -0.033 42.005 42.059 -0.034 0.000 0.932 51 L HN -0.147 nan 8.230 nan 0.000 0.449 52 V N 0.650 120.519 119.914 -0.073 0.000 2.271 52 V HA 0.207 4.327 4.120 -0.000 0.000 0.259 52 V C -0.176 175.905 176.094 -0.020 0.000 1.030 52 V CA -0.488 61.750 62.300 -0.104 0.000 0.957 52 V CB 0.400 32.045 31.823 -0.295 0.000 1.186 52 V HN 0.164 nan 8.190 nan 0.000 0.471 53 K N 1.344 121.759 120.400 0.025 0.000 2.292 53 K HA 0.666 4.986 4.320 -0.000 0.000 0.257 53 K C 1.089 177.754 176.600 0.107 0.000 0.940 53 K CA -0.092 56.242 56.287 0.077 0.000 0.811 53 K CB 2.041 34.569 32.500 0.046 0.000 1.120 53 K HN 0.508 nan 8.250 nan 0.000 0.428 54 G N 2.489 111.384 108.800 0.158 0.000 2.304 54 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.252 54 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.252 54 G C -0.101 174.970 174.900 0.286 0.000 1.014 54 G CA 0.621 45.851 45.100 0.216 0.000 0.619 54 G HN 0.582 nan 8.290 nan 0.000 0.525 55 K N 0.660 121.223 120.400 0.271 0.000 2.098 55 K HA 0.757 5.077 4.320 -0.000 0.000 0.261 55 K C 0.184 176.884 176.600 0.165 0.000 0.987 55 K CA -0.917 55.513 56.287 0.238 0.000 0.916 55 K CB 1.244 33.858 32.500 0.189 0.000 1.039 55 K HN 0.411 nan 8.250 nan 0.000 0.455 56 R N 0.817 121.379 120.500 0.103 0.000 2.668 56 R HA 0.496 4.836 4.340 -0.000 0.000 0.279 56 R C -0.928 175.288 176.300 -0.140 0.000 0.976 56 R CA -1.145 54.951 56.100 -0.006 0.000 0.978 56 R CB 1.669 31.878 30.300 -0.152 0.000 1.133 56 R HN 0.286 nan 8.270 nan 0.000 0.484 57 V N 2.982 122.735 119.914 -0.268 0.000 2.409 57 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 57 V C -1.091 174.657 176.094 -0.577 0.000 1.020 57 V CA -0.681 61.404 62.300 -0.358 0.000 0.848 57 V CB 0.862 32.505 31.823 -0.299 0.000 0.990 57 V HN 0.586 nan 8.190 nan 0.000 0.430 58 Y N 3.101 123.014 120.300 -0.645 0.000 2.602 58 Y HA 0.805 5.355 4.550 -0.000 0.000 0.330 58 Y C 0.012 175.466 175.900 -0.743 0.000 1.114 58 Y CA -1.153 56.540 58.100 -0.678 0.000 1.182 58 Y CB 1.945 39.939 38.460 -0.776 0.000 1.305 58 Y HN 0.301 nan 8.280 nan 0.000 0.502 59 V N 1.253 120.984 119.914 -0.304 0.000 2.612 59 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 59 V C -0.856 175.111 176.094 -0.210 0.000 1.059 59 V CA -0.892 61.195 62.300 -0.354 0.000 0.886 59 V CB 1.618 33.004 31.823 -0.729 0.000 1.007 59 V HN 0.824 nan 8.190 nan 0.000 0.426 60 S N 5.050 120.703 115.700 -0.078 0.000 2.568 60 S HA 0.894 5.364 4.470 -0.000 0.000 0.302 60 S C -1.107 173.379 174.600 -0.190 0.000 1.082 60 S CA -0.755 57.354 58.200 -0.152 0.000 1.009 60 S CB 2.159 65.389 63.200 0.051 0.000 1.069 60 S HN 0.760 nan 8.310 nan 0.000 0.500 61 L N 1.989 123.030 121.223 -0.304 0.000 2.349 61 L HA 0.737 5.077 4.340 -0.000 0.000 0.278 61 L C -0.909 175.879 176.870 -0.136 0.000 0.996 61 L CA 0.200 54.933 54.840 -0.178 0.000 0.825 61 L CB 1.509 43.447 42.059 -0.202 0.000 1.243 61 L HN 0.929 nan 8.230 nan 0.000 0.412 62 T N 3.806 118.387 114.554 0.045 0.000 2.861 62 T HA 0.449 4.799 4.350 -0.000 0.000 0.287 62 T C -1.246 173.525 174.700 0.118 0.000 1.003 62 T CA -0.423 61.754 62.100 0.128 0.000 0.977 62 T CB 1.324 70.296 68.868 0.175 0.000 0.996 62 T HN 0.739 nan 8.240 nan 0.000 0.448 63 C N 3.453 122.817 119.300 0.107 0.000 2.322 63 C HA 0.907 5.367 4.460 -0.000 0.000 0.324 63 C C -0.263 174.677 174.990 -0.083 0.000 1.249 63 C CA -0.158 58.785 59.018 -0.125 0.000 1.453 63 C CB -1.341 26.363 27.740 -0.061 0.000 2.145 63 C HN 1.093 nan 8.230 nan 0.000 0.466 64 A N 5.000 127.729 122.820 -0.152 0.000 2.498 64 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 64 A C -1.308 176.263 177.584 -0.021 0.000 1.075 64 A CA -0.461 51.542 52.037 -0.056 0.000 0.714 64 A CB 1.076 20.030 19.000 -0.076 0.000 1.299 64 A HN 1.163 nan 8.150 nan 0.000 0.407 65 F N 2.237 122.138 119.950 -0.081 0.000 2.404 65 F HA 0.739 5.266 4.527 -0.000 0.000 0.339 65 F C 0.492 176.266 175.800 -0.044 0.000 1.105 65 F CA -0.465 57.526 58.000 -0.015 0.000 1.087 65 F CB 1.131 40.178 39.000 0.079 0.000 1.143 65 F HN 0.715 nan 8.300 nan 0.000 0.491 66 R N 4.814 124.788 120.500 -0.876 0.000 2.744 66 R HA 0.592 4.932 4.340 -0.000 0.000 0.279 66 R C -2.400 173.461 176.300 -0.733 0.000 0.977 66 R CA -0.989 54.731 56.100 -0.634 0.000 0.906 66 R CB 1.943 32.031 30.300 -0.353 0.000 1.197 66 R HN 0.751 nan 8.270 nan 0.000 0.463 67 Y N 0.636 120.652 120.300 -0.473 0.000 2.470 67 Y HA 0.609 5.159 4.550 -0.000 0.000 0.341 67 Y C -0.506 175.286 175.900 -0.180 0.000 1.021 67 Y CA 0.465 58.402 58.100 -0.272 0.000 1.025 67 Y CB 2.625 41.039 38.460 -0.077 0.000 1.266 67 Y HN 1.170 nan 8.280 nan 0.000 0.448 68 G N 4.366 112.955 108.800 -0.352 0.000 2.453 68 G HA2 0.221 4.181 3.960 -0.000 0.000 0.665 68 G HA3 0.221 4.181 3.960 -0.000 0.000 0.665 68 G C -2.026 172.777 174.900 -0.160 0.000 1.411 68 G CA -1.019 43.991 45.100 -0.149 0.000 0.889 68 G HN 0.697 nan 8.290 nan 0.000 0.651 69 Q N -0.497 119.248 119.800 -0.092 0.000 2.873 69 Q HA 0.711 5.051 4.340 -0.000 0.000 0.297 69 Q C -0.774 175.208 176.000 -0.030 0.000 1.064 69 Q CA -0.954 54.808 55.803 -0.067 0.000 0.816 69 Q CB 2.302 31.007 28.738 -0.055 0.000 1.481 69 Q HN 0.518 nan 8.270 nan 0.000 0.488 70 E N 1.287 121.474 120.200 -0.021 0.000 2.267 70 E HA 0.237 4.587 4.350 -0.000 0.000 0.248 70 E C -1.589 175.010 176.600 -0.003 0.000 0.899 70 E CA -0.287 56.108 56.400 -0.009 0.000 0.764 70 E CB 1.018 30.711 29.700 -0.011 0.000 1.227 70 E HN 0.300 nan 8.360 nan 0.000 0.421 71 D N 3.863 124.265 120.400 0.004 0.000 2.425 71 D HA 0.258 4.898 4.640 -0.000 0.000 0.240 71 D C 0.315 176.619 176.300 0.007 0.000 1.080 71 D CA -0.482 53.522 54.000 0.007 0.000 0.836 71 D CB 1.539 42.347 40.800 0.013 0.000 1.125 71 D HN 0.390 nan 8.370 nan 0.000 0.525 72 I N 1.671 122.243 120.570 0.003 0.000 2.742 72 I HA -0.134 4.036 4.170 -0.000 0.000 0.287 72 I C 0.041 176.162 176.117 0.006 0.000 1.186 72 I CA 0.505 61.807 61.300 0.003 0.000 1.417 72 I CB -0.278 37.723 38.000 0.000 0.000 1.377 72 I HN 0.381 nan 8.210 nan 0.000 0.556 73 D N 4.179 124.583 120.400 0.007 0.000 2.990 73 D HA -0.091 4.549 4.640 -0.000 0.000 0.245 73 D C -1.357 174.950 176.300 0.012 0.000 1.120 73 D CA 0.605 54.610 54.000 0.009 0.000 0.838 73 D CB -0.447 40.357 40.800 0.007 0.000 1.000 73 D HN 0.226 nan 8.370 nan 0.000 0.420 74 V N 1.268 121.191 119.914 0.016 0.000 2.775 74 V HA 0.189 4.309 4.120 -0.000 0.000 0.295 74 V C 0.335 176.444 176.094 0.025 0.000 1.226 74 V CA -0.980 61.334 62.300 0.022 0.000 0.934 74 V CB 1.904 33.742 31.823 0.026 0.000 1.056 74 V HN 0.416 nan 8.190 nan 0.000 0.436 75 M N 3.359 122.976 119.600 0.028 0.000 2.274 75 M HA 0.126 4.606 4.480 -0.000 0.000 0.377 75 M C 0.894 177.216 176.300 0.036 0.000 1.428 75 M CA 0.929 56.248 55.300 0.031 0.000 0.907 75 M CB 0.148 32.769 32.600 0.035 0.000 1.974 75 M HN 0.999 nan 8.290 nan 0.000 0.479 76 G N 5.628 114.445 108.800 0.029 0.000 2.365 76 G HA2 0.417 4.376 3.960 -0.000 0.000 0.249 76 G HA3 0.417 4.376 3.960 -0.000 0.000 0.249 76 G C -1.287 173.638 174.900 0.042 0.000 1.288 76 G CA -0.597 44.520 45.100 0.028 0.000 0.887 76 G HN 0.730 nan 8.290 nan 0.000 0.524 77 L N 2.360 123.615 121.223 0.053 0.000 2.464 77 L HA 0.746 5.086 4.340 -0.000 0.000 0.266 77 L C -0.195 176.710 176.870 0.059 0.000 0.965 77 L CA -0.404 54.483 54.840 0.078 0.000 0.833 77 L CB 2.359 44.497 42.059 0.132 0.000 1.296 77 L HN 0.782 nan 8.230 nan 0.000 0.405 78 S N 3.320 119.038 115.700 0.031 0.000 2.537 78 S HA 0.776 5.246 4.470 -0.000 0.000 0.270 78 S C -1.305 173.277 174.600 -0.030 0.000 1.142 78 S CA -0.655 57.537 58.200 -0.013 0.000 0.870 78 S CB 1.514 64.693 63.200 -0.035 0.000 1.112 78 S HN 0.618 nan 8.310 nan 0.000 0.466 79 F N 1.887 121.662 119.950 -0.291 0.000 2.565 79 F HA 0.806 5.333 4.527 -0.000 0.000 0.313 79 F C -0.506 175.200 175.800 -0.156 0.000 1.091 79 F CA -0.706 57.110 58.000 -0.306 0.000 0.915 79 F CB 1.844 40.399 39.000 -0.742 0.000 1.208 79 F HN 0.953 nan 8.300 nan 0.000 0.453 80 R N 4.481 124.362 120.500 -1.031 0.000 2.604 80 R HA 0.599 4.938 4.340 -0.000 0.000 0.281 80 R C -1.954 173.798 176.300 -0.914 0.000 1.020 80 R CA -0.932 54.705 56.100 -0.771 0.000 0.899 80 R CB 1.844 31.911 30.300 -0.389 0.000 1.205 80 R HN 0.821 nan 8.270 nan 0.000 0.450 81 R N 2.842 123.043 120.500 -0.498 0.000 2.507 81 R HA 0.255 4.595 4.340 -0.000 0.000 0.298 81 R C -1.557 174.721 176.300 -0.038 0.000 1.087 81 R CA -0.491 55.479 56.100 -0.217 0.000 0.917 81 R CB 0.961 31.277 30.300 0.026 0.000 1.173 81 R HN 0.485 nan 8.270 nan 0.000 0.472 82 D N 5.419 125.790 120.400 -0.049 0.000 2.371 82 D HA 0.084 4.724 4.640 -0.000 0.000 0.256 82 D C 0.723 177.073 176.300 0.084 0.000 1.193 82 D CA 0.123 54.126 54.000 0.004 0.000 0.881 82 D CB 1.136 41.917 40.800 -0.032 0.000 1.143 82 D HN 0.595 nan 8.370 nan 0.000 0.473 83 L N 2.045 123.352 121.223 0.139 0.000 2.529 83 L HA 0.115 4.455 4.340 -0.000 0.000 0.223 83 L C -0.062 177.049 176.870 0.403 0.000 1.113 83 L CA 0.151 55.129 54.840 0.229 0.000 0.861 83 L CB 0.095 42.282 42.059 0.214 0.000 1.012 83 L HN 0.397 nan 8.230 nan 0.000 0.461 84 Y N -0.434 119.980 120.300 0.190 0.000 2.522 84 Y HA 0.428 4.978 4.550 -0.000 0.000 0.326 84 Y C -2.088 173.955 175.900 0.237 0.000 1.198 84 Y CA -1.824 56.416 58.100 0.234 0.000 1.112 84 Y CB 1.270 39.866 38.460 0.226 0.000 1.342 84 Y HN -0.134 nan 8.280 nan 0.000 0.460 85 F N 4.321 123.793 119.950 -0.796 0.000 2.596 85 F HA 0.754 5.281 4.527 -0.000 0.000 0.311 85 F C -1.520 173.814 175.800 -0.778 0.000 1.116 85 F CA -0.311 57.322 58.000 -0.610 0.000 0.957 85 F CB 2.030 40.859 39.000 -0.285 0.000 1.250 85 F HN 0.453 nan 8.300 nan 0.000 0.444 86 S N 4.894 119.742 115.700 -1.421 0.000 2.566 86 S HA 0.433 4.902 4.470 -0.000 0.000 0.273 86 S C -1.879 172.159 174.600 -0.936 0.000 1.157 86 S CA -0.459 57.183 58.200 -0.930 0.000 0.938 86 S CB 1.469 64.382 63.200 -0.478 0.000 1.087 86 S HN 0.863 nan 8.310 nan 0.000 0.474 87 Q N 3.049 122.488 119.800 -0.602 0.000 2.375 87 Q HA 0.773 5.113 4.340 -0.000 0.000 0.271 87 Q C -1.845 174.097 176.000 -0.097 0.000 1.074 87 Q CA -0.714 54.895 55.803 -0.323 0.000 0.808 87 Q CB 2.047 30.692 28.738 -0.155 0.000 1.327 87 Q HN 0.557 nan 8.270 nan 0.000 0.441 88 V N 3.191 123.089 119.914 -0.026 0.000 2.686 88 V HA 0.233 4.352 4.120 -0.000 0.000 0.306 88 V C -0.800 175.342 176.094 0.080 0.000 1.065 88 V CA -0.768 61.557 62.300 0.041 0.000 0.894 88 V CB 1.983 33.819 31.823 0.021 0.000 1.004 88 V HN 0.789 nan 8.190 nan 0.000 0.424 89 Q N 2.741 122.593 119.800 0.085 0.000 2.296 89 Q HA 0.324 4.664 4.340 -0.000 0.000 0.263 89 Q C 0.281 176.202 176.000 -0.131 0.000 1.026 89 Q CA 0.039 55.740 55.803 -0.171 0.000 0.912 89 Q CB 1.655 30.227 28.738 -0.278 0.000 1.198 89 Q HN 0.713 nan 8.270 nan 0.000 0.407 90 V N 6.177 126.005 119.914 -0.143 0.000 3.471 90 V HA 0.282 4.402 4.120 -0.000 0.000 0.258 90 V C -0.707 175.372 176.094 -0.025 0.000 1.192 90 V CA 0.518 62.819 62.300 0.002 0.000 1.116 90 V CB 0.082 31.957 31.823 0.087 0.000 0.792 90 V HN 0.715 nan 8.190 nan 0.000 0.459 91 F N 0.579 120.309 119.950 -0.366 0.000 2.635 91 F HA 0.681 5.207 4.527 -0.000 0.000 0.314 91 F C -3.127 172.422 175.800 -0.417 0.000 1.119 91 F CA -2.395 55.322 58.000 -0.471 0.000 1.000 91 F CB 1.631 40.288 39.000 -0.572 0.000 1.278 91 F HN -0.153 nan 8.300 nan 0.000 0.446 92 P HA 0.262 nan 4.420 nan 0.000 0.271 92 P C -2.625 174.315 177.300 -0.601 0.000 1.218 92 P CA -0.894 61.436 63.100 -1.283 0.000 0.780 92 P CB 0.265 31.401 31.700 -0.940 0.000 0.901 93 P HA -0.079 nan 4.420 nan 0.000 0.259 93 P C -0.860 176.368 177.300 -0.121 0.000 1.155 93 P CA 1.212 64.224 63.100 -0.147 0.000 0.759 93 P CB 0.095 31.799 31.700 0.006 0.000 0.753 94 V N 2.447 122.321 119.914 -0.066 0.000 3.048 94 V HA 0.466 4.586 4.120 -0.000 0.000 0.303 94 V C 0.977 177.066 176.094 -0.009 0.000 1.214 94 V CA -0.711 61.561 62.300 -0.047 0.000 0.984 94 V CB 2.037 33.823 31.823 -0.061 0.000 1.054 94 V HN 0.527 nan 8.190 nan 0.000 0.430 95 G N 1.076 109.876 108.800 -0.000 0.000 3.325 95 G HA2 0.338 4.298 3.960 -0.000 0.000 0.242 95 G HA3 0.338 4.298 3.960 -0.000 0.000 0.242 95 G C 0.865 175.776 174.900 0.020 0.000 1.120 95 G CA 0.591 45.700 45.100 0.014 0.000 1.778 95 G HN 1.182 nan 8.290 nan 0.000 0.610 96 A N -0.317 122.516 122.820 0.022 0.000 2.238 96 A HA 0.350 4.670 4.320 -0.000 0.000 0.208 96 A C 2.067 179.678 177.584 0.045 0.000 1.177 96 A CA 0.932 52.987 52.037 0.030 0.000 0.804 96 A CB 0.255 19.271 19.000 0.027 0.000 0.823 96 A HN 0.331 nan 8.150 nan 0.000 0.482 97 S N -1.779 113.951 115.700 0.051 0.000 2.559 97 S HA 0.458 4.928 4.470 -0.000 0.000 0.226 97 S C 1.109 175.733 174.600 0.039 0.000 1.030 97 S CA 0.588 58.823 58.200 0.058 0.000 0.956 97 S CB 0.405 63.653 63.200 0.080 0.000 0.900 97 S HN 1.465 nan 8.310 nan 0.000 0.510 98 G N 1.982 110.801 108.800 0.033 0.000 2.512 98 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.240 98 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.240 98 G C 0.161 175.074 174.900 0.022 0.000 1.246 98 G CA -0.495 44.621 45.100 0.025 0.000 0.919 98 G HN 0.868 nan 8.290 nan 0.000 0.577 99 A N -1.040 121.791 122.820 0.018 0.000 2.387 99 A HA 0.638 4.958 4.320 -0.000 0.000 0.251 99 A C 0.865 178.456 177.584 0.013 0.000 1.113 99 A CA 1.726 53.771 52.037 0.015 0.000 0.794 99 A CB -0.101 18.908 19.000 0.014 0.000 1.069 99 A HN 1.680 nan 8.150 nan 0.000 0.506 100 T N 0.407 114.967 114.554 0.010 0.000 2.918 100 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 100 T C -0.016 174.686 174.700 0.004 0.000 1.026 100 T CA -0.184 61.919 62.100 0.004 0.000 1.031 100 T CB 1.296 70.167 68.868 0.005 0.000 1.046 100 T HN 0.622 nan 8.240 nan 0.000 0.479 101 T N 2.412 116.964 114.554 -0.003 0.000 2.856 101 T HA 0.165 4.515 4.350 -0.000 0.000 0.292 101 T C 1.709 176.418 174.700 0.016 0.000 0.980 101 T CA -0.687 61.416 62.100 0.004 0.000 1.091 101 T CB 0.731 69.596 68.868 -0.004 0.000 0.936 101 T HN 0.592 nan 8.240 nan 0.000 0.503 102 R N 1.989 122.503 120.500 0.024 0.000 2.355 102 R HA -0.064 4.276 4.340 -0.000 0.000 0.219 102 R C 1.709 178.050 176.300 0.068 0.000 1.107 102 R CA 0.836 56.957 56.100 0.035 0.000 1.021 102 R CB -0.496 29.820 30.300 0.026 0.000 0.852 102 R HN 0.457 nan 8.270 nan 0.000 0.475 103 L N 0.661 121.921 121.223 0.063 0.000 2.168 103 L HA 0.024 4.364 4.340 -0.000 0.000 0.203 103 L C 2.143 179.043 176.870 0.049 0.000 1.078 103 L CA 1.307 56.201 54.840 0.090 0.000 0.780 103 L CB -0.201 41.889 42.059 0.051 0.000 0.939 103 L HN 0.088 nan 8.230 nan 0.000 0.451 104 Q N -0.135 119.667 119.800 0.004 0.000 2.050 104 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 104 Q C 1.998 178.005 176.000 0.012 0.000 0.980 104 Q CA 2.116 57.905 55.803 -0.024 0.000 0.840 104 Q CB -0.263 28.448 28.738 -0.045 0.000 0.898 104 Q HN 0.633 nan 8.270 nan 0.000 0.424 105 E N 0.654 120.869 120.200 0.026 0.000 2.023 105 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 105 E C 2.168 178.806 176.600 0.064 0.000 1.003 105 E CA 1.330 57.747 56.400 0.029 0.000 0.809 105 E CB -0.255 29.459 29.700 0.024 0.000 0.755 105 E HN 0.125 nan 8.360 nan 0.000 0.449 106 S N 0.402 116.172 115.700 0.116 0.000 2.380 106 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 106 S C 1.951 176.749 174.600 0.329 0.000 1.043 106 S CA 1.072 59.389 58.200 0.196 0.000 1.038 106 S CB -0.208 63.181 63.200 0.314 0.000 0.872 106 S HN 0.172 nan 8.310 nan 0.000 0.456 107 L N 0.660 122.054 121.223 0.286 0.000 2.023 107 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 107 L C 2.343 179.257 176.870 0.072 0.000 1.073 107 L CA 1.274 56.230 54.840 0.192 0.000 0.745 107 L CB -0.464 41.557 42.059 -0.063 0.000 0.900 107 L HN 0.363 nan 8.230 nan 0.000 0.435 108 I N -0.184 120.392 120.570 0.010 0.000 2.236 108 I HA -0.379 3.791 4.170 -0.000 0.000 0.249 108 I C 2.466 178.563 176.117 -0.033 0.000 1.102 108 I CA 1.498 62.769 61.300 -0.047 0.000 1.365 108 I CB -0.364 37.599 38.000 -0.061 0.000 1.051 108 I HN 0.289 nan 8.210 nan 0.000 0.420 109 K N 0.974 121.379 120.400 0.009 0.000 1.965 109 K HA -0.218 4.102 4.320 -0.000 0.000 0.214 109 K C 2.071 178.678 176.600 0.012 0.000 1.042 109 K CA 1.428 57.716 56.287 0.002 0.000 0.950 109 K CB -0.344 32.160 32.500 0.007 0.000 0.733 109 K HN -0.062 nan 8.250 nan 0.000 0.441 110 K N 1.381 121.819 120.400 0.064 0.000 2.444 110 K HA -0.138 4.182 4.320 -0.000 0.000 0.200 110 K C 1.539 178.167 176.600 0.045 0.000 1.045 110 K CA 1.186 57.526 56.287 0.089 0.000 0.934 110 K CB -0.063 32.580 32.500 0.237 0.000 0.756 110 K HN 0.154 nan 8.250 nan 0.000 0.477 111 L N -2.339 118.879 121.223 -0.008 0.000 2.347 111 L HA 0.318 4.658 4.340 -0.000 0.000 0.196 111 L C 1.229 178.041 176.870 -0.096 0.000 1.072 111 L CA 0.604 55.382 54.840 -0.104 0.000 0.817 111 L CB -0.066 41.880 42.059 -0.188 0.000 1.029 111 L HN 0.434 nan 8.230 nan 0.000 0.478 112 G N -1.409 107.339 108.800 -0.087 0.000 2.356 112 G HA2 0.224 4.184 3.960 -0.000 0.000 0.288 112 G HA3 0.224 4.184 3.960 -0.000 0.000 0.288 112 G C -0.650 174.185 174.900 -0.108 0.000 1.302 112 G CA -0.148 44.905 45.100 -0.078 0.000 0.887 112 G HN 0.048 nan 8.290 nan 0.000 0.521 113 A N -0.899 121.866 122.820 -0.092 0.000 2.379 113 A HA 0.413 4.733 4.320 -0.000 0.000 0.236 113 A C 0.904 178.380 177.584 -0.181 0.000 1.272 113 A CA 0.901 52.861 52.037 -0.127 0.000 0.886 113 A CB -0.443 18.526 19.000 -0.051 0.000 0.962 113 A HN 0.616 nan 8.150 nan 0.000 0.504 114 N N -0.279 118.337 118.700 -0.140 0.000 2.401 114 N HA 0.171 4.911 4.740 -0.000 0.000 0.264 114 N C -0.832 174.621 175.510 -0.095 0.000 1.238 114 N CA 0.070 53.127 53.050 0.012 0.000 0.889 114 N CB 0.979 39.548 38.487 0.137 0.000 1.196 114 N HN 0.030 nan 8.380 nan 0.000 0.511 115 T N 0.669 114.949 114.554 -0.456 0.000 2.791 115 T HA 0.371 4.720 4.350 -0.000 0.000 0.288 115 T C -1.101 173.306 174.700 -0.489 0.000 0.999 115 T CA -0.310 61.631 62.100 -0.264 0.000 0.952 115 T CB 0.456 69.216 68.868 -0.181 0.000 0.938 115 T HN 0.044 nan 8.240 nan 0.000 0.444 116 Y N 3.643 124.010 120.300 0.111 0.000 2.446 116 Y HA 0.544 5.094 4.550 -0.000 0.000 0.345 116 Y C -2.298 173.673 175.900 0.118 0.000 0.984 116 Y CA -2.936 55.233 58.100 0.115 0.000 1.058 116 Y CB 1.602 40.159 38.460 0.161 0.000 1.220 116 Y HN 0.371 nan 8.280 nan 0.000 0.455 117 P HA 0.386 nan 4.420 nan 0.000 0.282 117 P C -1.241 176.166 177.300 0.179 0.000 1.259 117 P CA -0.255 62.901 63.100 0.094 0.000 0.826 117 P CB 1.495 33.209 31.700 0.022 0.000 1.064 118 F N 0.849 120.836 119.950 0.061 0.000 2.631 118 F HA 0.750 5.277 4.527 -0.000 0.000 0.308 118 F C -2.303 173.508 175.800 0.018 0.000 1.097 118 F CA -1.579 56.440 58.000 0.031 0.000 0.952 118 F CB 1.326 40.336 39.000 0.018 0.000 1.307 118 F HN 0.178 nan 8.300 nan 0.000 0.450 119 L N 4.134 125.498 121.223 0.235 0.000 2.528 119 L HA 0.649 4.989 4.340 -0.000 0.000 0.267 119 L C -2.247 174.698 176.870 0.124 0.000 0.961 119 L CA -0.425 54.479 54.840 0.107 0.000 0.866 119 L CB 1.735 43.807 42.059 0.022 0.000 1.248 119 L HN 0.701 nan 8.230 nan 0.000 0.404 120 L N 3.707 124.985 121.223 0.092 0.000 2.329 120 L HA 0.738 5.078 4.340 -0.000 0.000 0.279 120 L C 0.312 177.087 176.870 -0.158 0.000 1.014 120 L CA -0.250 54.563 54.840 -0.045 0.000 0.814 120 L CB 1.861 43.850 42.059 -0.116 0.000 1.257 120 L HN 0.787 nan 8.230 nan 0.000 0.424 121 T N -0.962 113.506 114.554 -0.144 0.000 2.940 121 T HA 0.712 5.062 4.350 -0.000 0.000 0.288 121 T C -0.341 174.199 174.700 -0.268 0.000 1.033 121 T CA -0.563 61.448 62.100 -0.149 0.000 1.033 121 T CB 1.360 70.213 68.868 -0.025 0.000 1.079 121 T HN 0.083 nan 8.240 nan 0.000 0.496 122 F N 1.684 121.559 119.950 -0.126 0.000 2.404 122 F HA 0.544 5.071 4.527 -0.000 0.000 0.339 122 F C -1.864 173.696 175.800 -0.399 0.000 1.105 122 F CA -2.022 55.812 58.000 -0.277 0.000 1.087 122 F CB 0.760 39.635 39.000 -0.209 0.000 1.143 122 F HN 0.426 nan 8.300 nan 0.000 0.491 123 P HA 0.144 nan 4.420 nan 0.000 0.289 123 P C -0.216 176.813 177.300 -0.451 0.000 1.299 123 P CA -0.291 62.438 63.100 -0.617 0.000 0.766 123 P CB 0.622 31.516 31.700 -1.343 0.000 1.226 124 D N -1.661 118.528 120.400 -0.352 0.000 2.369 124 D HA -0.038 4.602 4.640 -0.000 0.000 0.211 124 D C 0.490 176.749 176.300 -0.067 0.000 1.077 124 D CA 0.207 54.112 54.000 -0.158 0.000 0.842 124 D CB -0.902 39.869 40.800 -0.048 0.000 0.947 124 D HN 0.479 nan 8.370 nan 0.000 0.509 125 Y N -0.858 119.448 120.300 0.010 0.000 2.625 125 Y HA 0.529 5.079 4.550 -0.000 0.000 0.285 125 Y C -0.404 175.533 175.900 0.061 0.000 1.168 125 Y CA -1.305 56.816 58.100 0.034 0.000 1.250 125 Y CB -0.275 38.208 38.460 0.038 0.000 1.130 125 Y HN -0.251 nan 8.280 nan 0.000 0.526 126 L N 3.729 124.980 121.223 0.046 0.000 2.331 126 L HA 0.615 4.955 4.340 -0.000 0.000 0.275 126 L C -2.125 174.845 176.870 0.167 0.000 1.022 126 L CA -2.786 52.145 54.840 0.152 0.000 0.812 126 L CB 1.453 43.606 42.059 0.157 0.000 1.257 126 L HN -0.004 nan 8.230 nan 0.000 0.435 127 P HA 0.272 nan 4.420 nan 0.000 0.282 127 P C -0.728 176.731 177.300 0.264 0.000 1.287 127 P CA -0.483 62.741 63.100 0.208 0.000 0.792 127 P CB 1.074 32.896 31.700 0.204 0.000 1.163 128 C N -1.049 118.362 119.300 0.184 0.000 2.352 128 C HA 0.358 4.818 4.460 -0.000 0.000 0.387 128 C C 1.044 176.195 174.990 0.267 0.000 1.294 128 C CA -0.129 58.960 59.018 0.119 0.000 2.137 128 C CB 0.635 28.401 27.740 0.044 0.000 2.146 128 C HN 0.526 nan 8.230 nan 0.000 0.559 129 S N 0.451 116.277 115.700 0.210 0.000 2.525 129 S HA 0.378 4.848 4.470 -0.000 0.000 0.285 129 S C -0.475 174.236 174.600 0.185 0.000 1.283 129 S CA 0.002 58.372 58.200 0.283 0.000 1.072 129 S CB 0.332 63.648 63.200 0.194 0.000 0.867 129 S HN 0.691 nan 8.310 nan 0.000 0.492 130 V N 6.617 126.639 119.914 0.180 0.000 2.852 130 V HA 0.776 4.895 4.120 -0.000 0.000 0.300 130 V C -1.196 174.957 176.094 0.098 0.000 1.205 130 V CA -0.803 61.572 62.300 0.124 0.000 0.940 130 V CB 1.657 33.558 31.823 0.130 0.000 1.047 130 V HN 0.991 nan 8.190 nan 0.000 0.429 131 M N 6.392 126.017 119.600 0.042 0.000 2.773 131 M HA 0.924 5.404 4.480 -0.000 0.000 0.270 131 M C -1.869 174.394 176.300 -0.062 0.000 1.238 131 M CA -0.882 54.416 55.300 -0.004 0.000 0.832 131 M CB 2.183 34.770 32.600 -0.021 0.000 1.672 131 M HN 1.092 nan 8.290 nan 0.000 0.480 132 L N -1.506 119.654 121.223 -0.106 0.000 2.838 132 L HA 0.724 5.064 4.340 -0.000 0.000 0.266 132 L C -1.922 174.850 176.870 -0.164 0.000 1.040 132 L CA -0.493 54.245 54.840 -0.170 0.000 0.906 132 L CB 2.236 44.115 42.059 -0.301 0.000 1.501 132 L HN 0.898 nan 8.230 nan 0.000 0.407 133 Q N 1.264 120.969 119.800 -0.158 0.000 2.305 133 Q HA 0.549 4.889 4.340 -0.000 0.000 0.271 133 Q C -2.713 173.247 176.000 -0.068 0.000 1.046 133 Q CA -1.824 53.922 55.803 -0.095 0.000 0.798 133 Q CB 3.106 31.816 28.738 -0.046 0.000 1.286 133 Q HN 0.567 nan 8.270 nan 0.000 0.435 134 P HA 0.062 nan 4.420 nan 0.000 0.269 134 P C -1.018 176.335 177.300 0.089 0.000 1.209 134 P CA 0.101 63.281 63.100 0.133 0.000 0.776 134 P CB 0.903 32.715 31.700 0.186 0.000 0.876 135 A N 4.167 127.058 122.820 0.118 0.000 2.246 135 A HA 0.447 4.767 4.320 -0.000 0.000 0.291 135 A C -1.328 176.300 177.584 0.073 0.000 1.103 135 A CA -1.611 50.473 52.037 0.079 0.000 0.844 135 A CB -1.002 18.046 19.000 0.079 0.000 1.136 135 A HN 0.310 nan 8.150 nan 0.000 0.500 136 P HA -0.210 nan 4.420 nan 0.000 0.217 136 P C 0.320 177.646 177.300 0.042 0.000 1.158 136 P CA 1.913 65.037 63.100 0.040 0.000 0.887 136 P CB 0.084 31.802 31.700 0.030 0.000 0.792 137 Q N -1.197 118.631 119.800 0.047 0.000 2.211 137 Q HA 0.194 4.534 4.340 -0.000 0.000 0.231 137 Q C -0.512 175.514 176.000 0.044 0.000 0.865 137 Q CA 0.155 55.982 55.803 0.040 0.000 0.997 137 Q CB -0.443 28.314 28.738 0.032 0.000 1.101 137 Q HN 0.214 nan 8.270 nan 0.000 0.468 138 D N 0.318 120.759 120.400 0.068 0.000 2.232 138 D HA 0.030 4.670 4.640 -0.000 0.000 0.242 138 D C 0.608 176.938 176.300 0.050 0.000 1.093 138 D CA -0.238 53.801 54.000 0.065 0.000 0.845 138 D CB 2.611 43.538 40.800 0.212 0.000 1.124 138 D HN -0.001 nan 8.370 nan 0.000 0.467 139 V N 2.897 122.812 119.914 0.001 0.000 2.548 139 V HA 0.039 4.158 4.120 -0.000 0.000 0.249 139 V C 1.140 177.277 176.094 0.071 0.000 1.055 139 V CA 1.616 63.932 62.300 0.027 0.000 1.065 139 V CB -0.301 31.527 31.823 0.007 0.000 0.681 139 V HN 0.552 nan 8.190 nan 0.000 0.462 140 G N 0.321 109.165 108.800 0.073 0.000 2.716 140 G HA2 0.284 4.244 3.960 -0.000 0.000 0.251 140 G HA3 0.284 4.244 3.960 -0.000 0.000 0.251 140 G C -0.323 174.680 174.900 0.171 0.000 1.224 140 G CA -0.403 44.819 45.100 0.203 0.000 0.891 140 G HN 0.389 nan 8.290 nan 0.000 0.561 141 K N -0.358 120.083 120.400 0.069 0.000 2.258 141 K HA 0.440 4.760 4.320 -0.000 0.000 0.236 141 K C 0.275 176.661 176.600 -0.357 0.000 1.008 141 K CA -0.695 55.487 56.287 -0.176 0.000 0.869 141 K CB 1.552 33.894 32.500 -0.264 0.000 1.171 141 K HN 0.403 nan 8.250 nan 0.000 0.447 142 S N 0.394 115.922 115.700 -0.287 0.000 2.566 142 S HA 0.173 4.643 4.470 -0.000 0.000 0.280 142 S C 0.362 174.718 174.600 -0.407 0.000 1.343 142 S CA -0.365 57.679 58.200 -0.260 0.000 1.036 142 S CB -0.210 62.883 63.200 -0.177 0.000 0.866 142 S HN 0.755 nan 8.310 nan 0.000 0.526 143 C N -0.300 118.838 119.300 -0.269 0.000 3.275 143 C HA 0.990 5.450 4.460 -0.000 0.000 0.340 143 C C -0.141 174.756 174.990 -0.154 0.000 1.366 143 C CA -0.157 58.699 59.018 -0.271 0.000 1.227 143 C CB 0.774 28.427 27.740 -0.145 0.000 1.512 143 C HN 1.202 nan 8.230 nan 0.000 0.461 144 G N -0.527 108.151 108.800 -0.203 0.000 2.322 144 G HA2 0.592 4.552 3.960 -0.000 0.000 0.295 144 G HA3 0.592 4.552 3.960 -0.000 0.000 0.295 144 G C -2.164 172.732 174.900 -0.007 0.000 1.369 144 G CA 0.001 45.082 45.100 -0.031 0.000 0.821 144 G HN 1.667 nan 8.290 nan 0.000 0.536 145 V N 1.665 121.629 119.914 0.084 0.000 2.357 145 V HA 0.489 4.609 4.120 -0.000 0.000 0.284 145 V C -0.951 175.113 176.094 -0.049 0.000 1.018 145 V CA -0.818 61.506 62.300 0.040 0.000 0.841 145 V CB 1.413 33.303 31.823 0.112 0.000 0.991 145 V HN 0.649 nan 8.190 nan 0.000 0.437 146 D N 3.656 123.960 120.400 -0.160 0.000 2.228 146 D HA 0.570 5.210 4.640 -0.000 0.000 0.247 146 D C -0.981 175.154 176.300 -0.276 0.000 0.995 146 D CA -0.135 53.812 54.000 -0.088 0.000 0.903 146 D CB 2.402 43.176 40.800 -0.043 0.000 1.205 146 D HN 0.307 nan 8.370 nan 0.000 0.459 147 F N 0.859 120.878 119.950 0.116 0.000 2.496 147 F HA 0.191 4.718 4.527 -0.000 0.000 0.341 147 F C 0.509 176.372 175.800 0.104 0.000 1.134 147 F CA -0.737 57.354 58.000 0.151 0.000 0.968 147 F CB 1.756 40.886 39.000 0.217 0.000 1.205 147 F HN 0.086 nan 8.300 nan 0.000 0.436 148 E N 4.593 124.905 120.200 0.187 0.000 2.158 148 E HA 0.429 4.779 4.350 -0.000 0.000 0.271 148 E C -1.293 175.335 176.600 0.046 0.000 0.911 148 E CA -0.589 55.868 56.400 0.095 0.000 0.767 148 E CB 1.437 31.164 29.700 0.044 0.000 1.120 148 E HN 0.404 nan 8.360 nan 0.000 0.405 149 I N 4.191 124.754 120.570 -0.012 0.000 2.359 149 I HA 0.331 4.501 4.170 -0.000 0.000 0.294 149 I C -0.118 175.947 176.117 -0.087 0.000 0.987 149 I CA -0.387 60.866 61.300 -0.078 0.000 1.225 149 I CB 1.335 39.274 38.000 -0.101 0.000 1.366 149 I HN 0.559 nan 8.210 nan 0.000 0.466 150 K N 5.228 125.585 120.400 -0.073 0.000 2.581 150 K HA 0.709 5.028 4.320 -0.000 0.000 0.249 150 K C -1.572 175.070 176.600 0.070 0.000 0.966 150 K CA -0.473 55.820 56.287 0.010 0.000 0.811 150 K CB 1.962 34.505 32.500 0.072 0.000 1.223 150 K HN 0.679 nan 8.250 nan 0.000 0.438 151 A N 4.158 126.983 122.820 0.008 0.000 2.305 151 A HA 0.799 5.119 4.320 -0.000 0.000 0.322 151 A C -1.076 176.580 177.584 0.119 0.000 1.187 151 A CA -0.611 51.387 52.037 -0.066 0.000 0.825 151 A CB -0.002 18.913 19.000 -0.140 0.000 1.164 151 A HN 0.658 nan 8.150 nan 0.000 0.498 152 F N -0.232 119.711 119.950 -0.012 0.000 2.641 152 F HA 0.775 5.302 4.527 -0.000 0.000 0.308 152 F C -0.214 175.620 175.800 0.056 0.000 1.105 152 F CA -1.122 56.887 58.000 0.015 0.000 0.964 152 F CB 1.194 40.208 39.000 0.022 0.000 1.294 152 F HN 0.694 nan 8.300 nan 0.000 0.442 153 A N 1.534 124.446 122.820 0.153 0.000 2.301 153 A HA 0.733 5.053 4.320 -0.000 0.000 0.312 153 A C -0.490 177.227 177.584 0.221 0.000 1.182 153 A CA -0.462 51.626 52.037 0.085 0.000 0.826 153 A CB 1.052 20.058 19.000 0.011 0.000 1.134 153 A HN 1.037 nan 8.150 nan 0.000 0.501 154 T N 1.099 115.793 114.554 0.233 0.000 3.011 154 T HA 0.463 4.813 4.350 -0.000 0.000 0.303 154 T C -0.837 174.001 174.700 0.230 0.000 0.997 154 T CA -0.408 61.851 62.100 0.266 0.000 1.007 154 T CB 0.326 69.410 68.868 0.359 0.000 1.017 154 T HN 0.853 nan 8.240 nan 0.000 0.443 155 H N 2.349 121.480 119.070 0.102 0.000 2.544 155 H HA 0.507 5.063 4.556 -0.000 0.000 0.365 155 H C 1.427 176.802 175.328 0.079 0.000 1.268 155 H CA 0.310 56.405 56.048 0.077 0.000 1.400 155 H CB 1.186 30.979 29.762 0.052 0.000 1.538 155 H HN 0.543 nan 8.280 nan 0.000 0.597 156 S N 0.463 115.767 115.700 -0.659 0.000 2.474 156 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 156 S C 1.552 176.061 174.600 -0.153 0.000 0.997 156 S CA 1.312 59.309 58.200 -0.339 0.000 0.949 156 S CB -0.042 62.932 63.200 -0.376 0.000 0.766 156 S HN 0.721 nan 8.310 nan 0.000 0.517 157 T N 1.917 116.444 114.554 -0.046 0.000 3.043 157 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 157 T C 1.103 175.844 174.700 0.067 0.000 1.094 157 T CA 0.724 62.874 62.100 0.084 0.000 1.127 157 T CB -0.124 68.872 68.868 0.213 0.000 0.905 157 T HN 0.386 nan 8.240 nan 0.000 0.490 158 D N 0.948 121.396 120.400 0.080 0.000 2.240 158 D HA 0.047 4.687 4.640 -0.000 0.000 0.206 158 D C 2.133 178.452 176.300 0.032 0.000 0.963 158 D CA 0.482 54.519 54.000 0.062 0.000 0.863 158 D CB -0.055 40.801 40.800 0.093 0.000 0.973 158 D HN 0.230 nan 8.370 nan 0.000 0.501 159 V N 1.198 121.128 119.914 0.026 0.000 2.626 159 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 159 V C 2.386 178.476 176.094 -0.006 0.000 1.067 159 V CA 1.435 63.741 62.300 0.009 0.000 1.081 159 V CB -0.283 31.546 31.823 0.010 0.000 0.686 159 V HN 0.074 nan 8.190 nan 0.000 0.468 160 E N 1.030 121.228 120.200 -0.003 0.000 2.014 160 E HA -0.210 4.140 4.350 -0.000 0.000 0.190 160 E C 2.135 178.732 176.600 -0.006 0.000 0.980 160 E CA 1.331 57.728 56.400 -0.005 0.000 0.807 160 E CB -0.221 29.479 29.700 0.000 0.000 0.770 160 E HN 0.585 nan 8.360 nan 0.000 0.451 161 E N 0.302 120.503 120.200 0.002 0.000 2.515 161 E HA -0.131 4.219 4.350 -0.000 0.000 0.201 161 E C -0.527 176.065 176.600 -0.014 0.000 1.071 161 E CA 0.634 57.032 56.400 -0.002 0.000 0.880 161 E CB -0.114 29.590 29.700 0.007 0.000 0.828 161 E HN 0.252 nan 8.360 nan 0.000 0.540 162 D N 0.773 121.161 120.400 -0.019 0.000 2.697 162 D HA -0.208 4.432 4.640 -0.000 0.000 0.238 162 D C -0.662 175.610 176.300 -0.046 0.000 1.152 162 D CA 1.324 55.302 54.000 -0.037 0.000 0.666 162 D CB -1.166 39.607 40.800 -0.046 0.000 1.037 162 D HN 0.483 nan 8.370 nan 0.000 0.423 163 K N -0.596 119.785 120.400 -0.033 0.000 2.477 163 K HA 0.738 5.058 4.320 -0.000 0.000 0.255 163 K C -0.659 175.923 176.600 -0.030 0.000 0.952 163 K CA -0.948 55.315 56.287 -0.040 0.000 0.826 163 K CB 2.127 34.614 32.500 -0.022 0.000 1.331 163 K HN -0.015 nan 8.250 nan 0.000 0.437 164 I N 2.395 122.928 120.570 -0.061 0.000 2.437 164 I HA 0.237 4.407 4.170 -0.000 0.000 0.279 164 I C -2.303 173.802 176.117 -0.021 0.000 1.028 164 I CA -2.414 58.858 61.300 -0.046 0.000 1.142 164 I CB 1.698 39.572 38.000 -0.209 0.000 1.266 164 I HN 0.440 nan 8.210 nan 0.000 0.461 165 P HA -0.036 nan 4.420 nan 0.000 0.257 165 P C 0.407 177.718 177.300 0.018 0.000 1.162 165 P CA 0.312 63.427 63.100 0.025 0.000 0.762 165 P CB 0.489 32.217 31.700 0.047 0.000 0.753 166 K N 4.333 124.731 120.400 -0.002 0.000 2.057 166 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 166 K C 1.803 178.407 176.600 0.008 0.000 1.050 166 K CA 1.311 57.594 56.287 -0.007 0.000 0.935 166 K CB -0.172 32.318 32.500 -0.018 0.000 0.715 166 K HN 0.529 nan 8.250 nan 0.000 0.439 167 K N 1.303 121.708 120.400 0.008 0.000 2.160 167 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 167 K C 1.361 177.970 176.600 0.015 0.000 1.047 167 K CA 1.901 58.193 56.287 0.009 0.000 0.930 167 K CB -0.305 32.198 32.500 0.006 0.000 0.720 167 K HN 0.069 nan 8.250 nan 0.000 0.450 168 S N 0.217 115.934 115.700 0.028 0.000 2.526 168 S HA 0.268 4.738 4.470 -0.000 0.000 0.247 168 S C -0.399 174.241 174.600 0.068 0.000 1.076 168 S CA -0.938 57.283 58.200 0.036 0.000 1.105 168 S CB 0.379 63.602 63.200 0.037 0.000 0.793 168 S HN 0.155 nan 8.310 nan 0.000 0.458 169 S N 0.787 116.524 115.700 0.062 0.000 2.548 169 S HA 0.718 5.188 4.470 -0.000 0.000 0.286 169 S C -0.711 173.916 174.600 0.045 0.000 1.098 169 S CA -0.685 57.571 58.200 0.094 0.000 0.930 169 S CB 1.951 65.208 63.200 0.095 0.000 1.070 169 S HN 0.292 nan 8.310 nan 0.000 0.480 170 V N 2.404 122.342 119.914 0.040 0.000 2.604 170 V HA 0.641 4.761 4.120 -0.000 0.000 0.305 170 V C -0.119 175.962 176.094 -0.022 0.000 1.043 170 V CA -0.866 61.431 62.300 -0.005 0.000 0.888 170 V CB 1.694 33.500 31.823 -0.029 0.000 0.995 170 V HN 0.846 nan 8.190 nan 0.000 0.429 171 R N 4.105 124.580 120.500 -0.042 0.000 2.599 171 R HA 0.837 5.177 4.340 -0.000 0.000 0.295 171 R C -2.035 174.194 176.300 -0.118 0.000 0.963 171 R CA -0.694 55.370 56.100 -0.059 0.000 0.883 171 R CB 1.683 31.964 30.300 -0.030 0.000 1.171 171 R HN 0.765 nan 8.270 nan 0.000 0.450 172 L N 4.775 125.895 121.223 -0.172 0.000 2.438 172 L HA 0.416 4.756 4.340 -0.000 0.000 0.270 172 L C -1.294 175.496 176.870 -0.132 0.000 0.972 172 L CA -1.185 53.451 54.840 -0.340 0.000 0.831 172 L CB 2.081 43.698 42.059 -0.737 0.000 1.273 172 L HN 0.458 nan 8.230 nan 0.000 0.405 173 L N 4.938 126.191 121.223 0.049 0.000 2.272 173 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 173 L C 0.124 177.190 176.870 0.325 0.000 1.045 173 L CA -0.059 54.889 54.840 0.181 0.000 0.842 173 L CB 0.920 43.084 42.059 0.176 0.000 1.224 173 L HN 0.396 nan 8.230 nan 0.000 0.430 174 I N 0.283 121.037 120.570 0.306 0.000 2.664 174 I HA 0.606 4.776 4.170 -0.000 0.000 0.308 174 I C 0.038 176.319 176.117 0.273 0.000 0.984 174 I CA -0.891 60.627 61.300 0.363 0.000 1.213 174 I CB 1.206 39.415 38.000 0.348 0.000 1.379 174 I HN 0.445 nan 8.210 nan 0.000 0.501 175 R N 2.666 123.280 120.500 0.190 0.000 2.474 175 R HA 0.398 4.738 4.340 -0.000 0.000 0.295 175 R C -0.758 175.489 176.300 -0.087 0.000 0.980 175 R CA -0.916 55.224 56.100 0.067 0.000 0.934 175 R CB 1.822 32.140 30.300 0.030 0.000 1.101 175 R HN 0.580 nan 8.270 nan 0.000 0.469 176 K N 3.265 123.471 120.400 -0.323 0.000 2.414 176 K HA 0.186 4.506 4.320 -0.000 0.000 0.251 176 K C -0.406 176.041 176.600 -0.255 0.000 1.037 176 K CA -0.530 55.442 56.287 -0.525 0.000 0.980 176 K CB 0.882 32.672 32.500 -1.182 0.000 1.280 176 K HN 0.452 nan 8.250 nan 0.000 0.451 177 V N 1.186 121.007 119.914 -0.155 0.000 2.644 177 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 177 V C -0.475 175.594 176.094 -0.041 0.000 1.053 177 V CA -0.779 61.453 62.300 -0.113 0.000 0.987 177 V CB 1.526 33.202 31.823 -0.246 0.000 1.006 177 V HN 0.742 nan 8.190 nan 0.000 0.472 178 Q N 3.150 122.957 119.800 0.011 0.000 2.322 178 Q HA 0.374 4.714 4.340 -0.000 0.000 0.256 178 Q C -0.688 175.336 176.000 0.041 0.000 0.960 178 Q CA 0.183 56.030 55.803 0.074 0.000 0.934 178 Q CB 0.236 29.044 28.738 0.117 0.000 1.200 178 Q HN 0.945 nan 8.270 nan 0.000 0.435 179 H N 1.608 120.779 119.070 0.168 0.000 2.573 179 H HA 0.625 5.181 4.556 -0.000 0.000 0.351 179 H C -0.669 174.775 175.328 0.193 0.000 1.163 179 H CA -0.554 55.611 56.048 0.194 0.000 1.205 179 H CB 1.867 31.704 29.762 0.126 0.000 1.605 179 H HN 0.807 nan 8.280 nan 0.000 0.525 180 A N 3.264 126.277 122.820 0.323 0.000 2.386 180 A HA 0.281 4.601 4.320 -0.000 0.000 0.248 180 A C -2.216 175.497 177.584 0.216 0.000 1.082 180 A CA -1.148 51.051 52.037 0.269 0.000 0.789 180 A CB -0.361 18.854 19.000 0.358 0.000 1.025 180 A HN 0.397 nan 8.150 nan 0.000 0.490 181 P HA 0.044 nan 4.420 nan 0.000 0.268 181 P C 0.827 178.181 177.300 0.090 0.000 1.208 181 P CA -0.328 62.866 63.100 0.157 0.000 0.777 181 P CB 0.420 32.194 31.700 0.123 0.000 0.875 182 R N 1.913 122.439 120.500 0.043 0.000 2.112 182 R HA -0.112 4.228 4.340 -0.000 0.000 0.242 182 R C 0.435 176.737 176.300 0.004 0.000 1.137 182 R CA 1.859 57.942 56.100 -0.028 0.000 0.944 182 R CB -0.861 29.406 30.300 -0.056 0.000 0.857 182 R HN 0.682 nan 8.270 nan 0.000 0.435 183 D N -0.553 119.863 120.400 0.026 0.000 2.863 183 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 183 D C -0.328 175.995 176.300 0.038 0.000 1.211 183 D CA -0.308 53.708 54.000 0.026 0.000 0.888 183 D CB 1.931 42.740 40.800 0.015 0.000 1.483 183 D HN -0.101 nan 8.370 nan 0.000 0.533 184 M N 0.884 120.507 119.600 0.039 0.000 2.662 184 M HA 0.523 5.003 4.480 -0.000 0.000 0.310 184 M C 0.752 177.068 176.300 0.027 0.000 1.204 184 M CA -0.785 54.538 55.300 0.039 0.000 0.891 184 M CB 2.362 34.991 32.600 0.049 0.000 1.732 184 M HN 0.460 nan 8.290 nan 0.000 0.467 185 G N 0.708 109.522 108.800 0.023 0.000 2.525 185 G HA2 0.485 4.445 3.960 -0.000 0.000 0.276 185 G HA3 0.485 4.445 3.960 -0.000 0.000 0.276 185 G C -2.623 172.284 174.900 0.011 0.000 1.388 185 G CA -0.858 44.251 45.100 0.016 0.000 1.050 185 G HN 0.426 nan 8.290 nan 0.000 0.520 186 P HA 0.204 nan 4.420 nan 0.000 0.271 186 P C -0.584 176.715 177.300 -0.002 0.000 1.218 186 P CA 0.029 63.130 63.100 0.001 0.000 0.780 186 P CB 0.730 32.430 31.700 0.000 0.000 0.901 187 Q N 3.285 123.078 119.800 -0.012 0.000 2.303 187 Q HA 0.288 4.628 4.340 -0.000 0.000 0.257 187 Q C -1.870 174.121 176.000 -0.015 0.000 0.941 187 Q CA -1.745 54.046 55.803 -0.019 0.000 0.931 187 Q CB 0.772 29.481 28.738 -0.047 0.000 1.215 187 Q HN 0.407 nan 8.270 nan 0.000 0.437 188 P HA 0.061 nan 4.420 nan 0.000 0.274 188 P C -0.897 176.407 177.300 0.008 0.000 1.246 188 P CA -0.344 62.758 63.100 0.002 0.000 0.795 188 P CB 0.741 32.445 31.700 0.007 0.000 1.006 189 R N 0.397 120.903 120.500 0.011 0.000 2.441 189 R HA 0.532 4.872 4.340 -0.000 0.000 0.284 189 R C -0.241 176.082 176.300 0.038 0.000 1.070 189 R CA -0.695 55.420 56.100 0.025 0.000 1.047 189 R CB 0.186 30.497 30.300 0.019 0.000 1.016 189 R HN 0.415 nan 8.270 nan 0.000 0.477 190 A N 3.421 126.281 122.820 0.067 0.000 2.671 190 A HA 0.138 4.458 4.320 -0.000 0.000 0.306 190 A C -0.194 177.426 177.584 0.060 0.000 1.473 190 A CA -0.327 51.759 52.037 0.083 0.000 1.155 190 A CB -0.217 18.866 19.000 0.138 0.000 1.123 190 A HN 0.874 nan 8.150 nan 0.000 0.545 191 E N 0.728 120.944 120.200 0.026 0.000 2.259 191 E HA 0.852 5.202 4.350 -0.000 0.000 0.257 191 E C -0.363 176.203 176.600 -0.057 0.000 0.998 191 E CA -0.231 56.166 56.400 -0.006 0.000 0.866 191 E CB 1.801 31.486 29.700 -0.024 0.000 1.220 191 E HN 1.022 nan 8.360 nan 0.000 0.415 192 A N 0.704 123.441 122.820 -0.139 0.000 2.601 192 A HA 0.472 4.792 4.320 -0.000 0.000 0.303 192 A C -1.552 175.690 177.584 -0.570 0.000 1.004 192 A CA -0.450 51.349 52.037 -0.396 0.000 0.742 192 A CB 0.691 19.444 19.000 -0.413 0.000 1.250 192 A HN 0.547 nan 8.150 nan 0.000 0.406 193 S N 1.023 116.222 115.700 -0.835 0.000 2.546 193 S HA 0.880 5.350 4.470 -0.000 0.000 0.272 193 S C -1.096 173.073 174.600 -0.717 0.000 1.140 193 S CA -0.640 57.221 58.200 -0.566 0.000 0.920 193 S CB 1.271 64.332 63.200 -0.231 0.000 1.083 193 S HN 1.033 nan 8.310 nan 0.000 0.476 194 W N 1.069 122.340 121.300 -0.048 0.000 2.781 194 W HA 0.540 5.200 4.660 -0.000 0.000 0.345 194 W C -0.366 176.033 176.519 -0.199 0.000 1.085 194 W CA -0.636 56.595 57.345 -0.190 0.000 1.198 194 W CB 2.239 31.494 29.460 -0.342 0.000 1.423 194 W HN 0.825 nan 8.180 nan 0.000 0.532 195 Q N 2.005 121.753 119.800 -0.086 0.000 2.394 195 Q HA 0.316 4.656 4.340 -0.000 0.000 0.261 195 Q C -1.676 174.198 176.000 -0.209 0.000 1.023 195 Q CA -0.424 55.306 55.803 -0.122 0.000 0.720 195 Q CB 0.697 29.376 28.738 -0.098 0.000 1.241 195 Q HN 0.275 nan 8.270 nan 0.000 0.483 196 F N 3.538 123.452 119.950 -0.060 0.000 2.413 196 F HA 0.352 4.879 4.527 -0.000 0.000 0.359 196 F C -0.308 175.419 175.800 -0.122 0.000 1.122 196 F CA -0.344 57.648 58.000 -0.014 0.000 1.160 196 F CB 0.410 39.408 39.000 -0.004 0.000 1.146 196 F HN 0.429 nan 8.300 nan 0.000 0.514 197 F N 4.206 124.258 119.950 0.171 0.000 2.420 197 F HA 0.457 4.984 4.527 -0.000 0.000 0.352 197 F C 0.220 176.083 175.800 0.105 0.000 1.108 197 F CA -0.377 57.691 58.000 0.113 0.000 1.162 197 F CB 0.865 39.905 39.000 0.067 0.000 1.118 197 F HN 0.240 nan 8.300 nan 0.000 0.510 198 M N 3.011 122.747 119.600 0.226 0.000 2.035 198 M HA 0.227 4.707 4.480 -0.000 0.000 0.286 198 M C -0.090 176.289 176.300 0.131 0.000 0.907 198 M CA -0.444 54.945 55.300 0.149 0.000 0.935 198 M CB 1.534 34.187 32.600 0.087 0.000 1.557 198 M HN 0.634 nan 8.290 nan 0.000 0.426 199 S N 1.269 117.044 115.700 0.125 0.000 3.748 199 S HA -0.135 4.335 4.470 -0.000 0.000 0.329 199 S C -0.033 174.640 174.600 0.123 0.000 1.104 199 S CA 1.015 59.273 58.200 0.095 0.000 0.954 199 S CB -1.234 62.006 63.200 0.068 0.000 0.910 199 S HN 1.045 nan 8.310 nan 0.000 0.494 200 D N -0.900 119.612 120.400 0.187 0.000 3.076 200 D HA -0.139 4.501 4.640 -0.000 0.000 0.218 200 D C -0.223 176.270 176.300 0.322 0.000 1.156 200 D CA 1.610 55.754 54.000 0.240 0.000 0.921 200 D CB -0.226 40.637 40.800 0.105 0.000 1.113 200 D HN 0.431 nan 8.370 nan 0.000 0.418 201 K N 0.509 121.065 120.400 0.259 0.000 2.358 201 K HA 0.406 4.726 4.320 -0.000 0.000 0.260 201 K C -2.538 174.060 176.600 -0.002 0.000 0.956 201 K CA -1.782 54.586 56.287 0.135 0.000 0.834 201 K CB 1.805 34.348 32.500 0.072 0.000 1.102 201 K HN 0.022 nan 8.250 nan 0.000 0.431 202 P HA 0.154 nan 4.420 nan 0.000 0.279 202 P C -0.624 176.540 177.300 -0.227 0.000 1.239 202 P CA -0.716 62.048 63.100 -0.561 0.000 0.789 202 P CB 0.988 32.238 31.700 -0.751 0.000 0.933 203 L N 4.177 125.310 121.223 -0.150 0.000 2.337 203 L HA 0.427 4.767 4.340 -0.000 0.000 0.269 203 L C 0.076 176.985 176.870 0.065 0.000 1.018 203 L CA -0.573 54.259 54.840 -0.014 0.000 0.876 203 L CB 0.593 42.665 42.059 0.022 0.000 1.236 203 L HN 0.234 nan 8.230 nan 0.000 0.436 204 R N 3.542 124.058 120.500 0.027 0.000 2.390 204 R HA 0.549 4.888 4.340 -0.000 0.000 0.291 204 R C -1.234 175.157 176.300 0.150 0.000 1.070 204 R CA -0.649 55.495 56.100 0.074 0.000 1.014 204 R CB 1.262 31.572 30.300 0.017 0.000 1.007 204 R HN 0.590 nan 8.270 nan 0.000 0.466 205 L N 1.921 123.294 121.223 0.249 0.000 2.410 205 L HA 0.645 4.985 4.340 -0.000 0.000 0.270 205 L C -1.528 175.524 176.870 0.302 0.000 0.983 205 L CA -0.262 54.760 54.840 0.304 0.000 0.822 205 L CB 2.073 44.417 42.059 0.475 0.000 1.285 205 L HN 0.729 nan 8.230 nan 0.000 0.409 206 A N 4.599 127.549 122.820 0.216 0.000 2.427 206 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 206 A C -1.455 176.227 177.584 0.163 0.000 1.036 206 A CA -0.226 51.899 52.037 0.147 0.000 0.701 206 A CB 1.674 20.705 19.000 0.051 0.000 1.250 206 A HN 1.275 nan 8.150 nan 0.000 0.412 207 V N 0.452 120.481 119.914 0.190 0.000 2.656 207 V HA 0.972 5.092 4.120 -0.000 0.000 0.307 207 V C -0.276 175.878 176.094 0.099 0.000 1.051 207 V CA -0.181 62.218 62.300 0.164 0.000 0.893 207 V CB 1.125 33.097 31.823 0.249 0.000 0.999 207 V HN 1.530 nan 8.190 nan 0.000 0.426 208 S N 4.424 120.160 115.700 0.060 0.000 2.564 208 S HA 0.889 5.359 4.470 -0.000 0.000 0.274 208 S C -1.104 173.510 174.600 0.024 0.000 1.124 208 S CA -0.936 57.287 58.200 0.039 0.000 0.869 208 S CB 1.897 65.112 63.200 0.024 0.000 1.105 208 S HN 0.890 nan 8.310 nan 0.000 0.472 209 L N 1.610 122.854 121.223 0.035 0.000 2.354 209 L HA 0.498 4.838 4.340 -0.000 0.000 0.264 209 L C 1.343 178.269 176.870 0.092 0.000 1.008 209 L CA -1.000 53.868 54.840 0.047 0.000 0.819 209 L CB 2.348 44.429 42.059 0.037 0.000 1.339 209 L HN 0.955 nan 8.230 nan 0.000 0.420 210 S N 0.837 116.618 115.700 0.135 0.000 2.348 210 S HA -0.104 4.366 4.470 -0.000 0.000 0.221 210 S C 0.412 175.026 174.600 0.023 0.000 1.033 210 S CA 0.872 59.114 58.200 0.070 0.000 1.010 210 S CB -0.358 62.876 63.200 0.057 0.000 0.891 210 S HN 0.682 nan 8.310 nan 0.000 0.442 211 K N 0.538 120.937 120.400 -0.001 0.000 2.261 211 K HA 0.581 4.901 4.320 -0.000 0.000 0.242 211 K C -0.018 176.607 176.600 0.042 0.000 1.083 211 K CA -0.792 55.437 56.287 -0.096 0.000 0.880 211 K CB 0.858 33.163 32.500 -0.324 0.000 1.353 211 K HN -0.017 nan 8.250 nan 0.000 0.486 212 E N 0.083 120.287 120.200 0.007 0.000 2.460 212 E HA 0.215 4.565 4.350 -0.000 0.000 0.200 212 E C -0.210 176.474 176.600 0.140 0.000 1.011 212 E CA 0.254 56.729 56.400 0.125 0.000 0.912 212 E CB 0.375 30.125 29.700 0.084 0.000 0.953 212 E HN 0.316 nan 8.360 nan 0.000 0.494 213 I N 1.798 122.318 120.570 -0.083 0.000 2.420 213 I HA 0.259 4.429 4.170 -0.000 0.000 0.282 213 I C -1.000 174.794 176.117 -0.539 0.000 1.019 213 I CA -0.778 60.422 61.300 -0.166 0.000 1.130 213 I CB 0.614 38.493 38.000 -0.202 0.000 1.262 213 I HN -0.104 nan 8.210 nan 0.000 0.454 214 Y N 4.897 125.005 120.300 -0.319 0.000 2.458 214 Y HA 0.504 5.053 4.550 -0.000 0.000 0.322 214 Y C -0.312 175.244 175.900 -0.574 0.000 1.259 214 Y CA -0.331 57.493 58.100 -0.461 0.000 1.302 214 Y CB 1.062 39.342 38.460 -0.300 0.000 1.314 214 Y HN 0.280 nan 8.280 nan 0.000 0.509 215 Y N -1.161 119.146 120.300 0.011 0.000 2.487 215 Y HA 0.344 4.894 4.550 -0.000 0.000 0.337 215 Y C -0.289 175.538 175.900 -0.121 0.000 1.076 215 Y CA -1.549 56.512 58.100 -0.065 0.000 1.115 215 Y CB 0.495 38.953 38.460 -0.004 0.000 1.235 215 Y HN 0.510 nan 8.280 nan 0.000 0.468 216 H N 0.683 119.749 119.070 -0.006 0.000 3.070 216 H HA 0.308 4.864 4.556 -0.000 0.000 0.313 216 H C 1.120 176.457 175.328 0.014 0.000 0.997 216 H CA 1.977 57.972 56.048 -0.087 0.000 1.438 216 H CB 0.111 29.721 29.762 -0.255 0.000 1.455 216 H HN 0.881 nan 8.280 nan 0.000 0.575 217 G N 2.376 111.235 108.800 0.097 0.000 2.284 217 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.230 217 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.230 217 G C 0.491 175.435 174.900 0.073 0.000 1.021 217 G CA 0.110 45.261 45.100 0.085 0.000 0.619 217 G HN 0.683 nan 8.290 nan 0.000 0.510 218 E N 2.454 122.714 120.200 0.101 0.000 2.366 218 E HA 0.388 4.738 4.350 -0.000 0.000 0.266 218 E C -2.166 174.480 176.600 0.078 0.000 1.015 218 E CA -1.503 54.967 56.400 0.118 0.000 0.906 218 E CB 0.646 30.459 29.700 0.190 0.000 0.979 218 E HN 0.208 nan 8.360 nan 0.000 0.443 219 P HA 0.062 nan 4.420 nan 0.000 0.271 219 P C -0.859 176.432 177.300 -0.014 0.000 1.216 219 P CA 0.339 63.441 63.100 0.003 0.000 0.776 219 P CB 0.473 32.179 31.700 0.011 0.000 0.881 220 I N 5.462 125.923 120.570 -0.181 0.000 2.330 220 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 220 I C -2.076 173.878 176.117 -0.271 0.000 1.001 220 I CA -2.446 58.593 61.300 -0.434 0.000 1.193 220 I CB 1.924 39.397 38.000 -0.878 0.000 1.345 220 I HN 0.119 nan 8.210 nan 0.000 0.461 221 P HA 0.167 nan 4.420 nan 0.000 0.274 221 P C -0.476 176.762 177.300 -0.104 0.000 1.504 221 P CA -0.192 62.858 63.100 -0.083 0.000 1.011 221 P CB 0.865 32.561 31.700 -0.007 0.000 1.366 222 V N 4.189 124.031 119.914 -0.120 0.000 2.432 222 V HA 0.228 4.348 4.120 -0.000 0.000 0.271 222 V C 0.937 177.008 176.094 -0.038 0.000 1.046 222 V CA 0.307 62.551 62.300 -0.093 0.000 0.945 222 V CB 1.009 32.774 31.823 -0.097 0.000 0.992 222 V HN 0.415 nan 8.190 nan 0.000 0.471 223 T N 5.034 119.580 114.554 -0.013 0.000 2.770 223 T HA 0.516 4.866 4.350 -0.000 0.000 0.283 223 T C -0.328 174.387 174.700 0.025 0.000 0.988 223 T CA -0.239 61.863 62.100 0.005 0.000 0.957 223 T CB 1.299 70.171 68.868 0.008 0.000 0.930 223 T HN 0.383 nan 8.240 nan 0.000 0.443 224 V N 3.127 123.057 119.914 0.026 0.000 2.417 224 V HA 0.776 4.896 4.120 -0.000 0.000 0.291 224 V C 0.041 176.160 176.094 0.041 0.000 1.024 224 V CA -0.924 61.404 62.300 0.045 0.000 0.861 224 V CB 1.375 33.220 31.823 0.036 0.000 0.985 224 V HN 1.004 nan 8.190 nan 0.000 0.436 225 A N 4.802 127.655 122.820 0.056 0.000 2.323 225 A HA 0.748 5.068 4.320 -0.000 0.000 0.305 225 A C -0.645 176.972 177.584 0.056 0.000 1.275 225 A CA -0.535 51.528 52.037 0.044 0.000 0.804 225 A CB 1.414 20.435 19.000 0.035 0.000 1.152 225 A HN 1.203 nan 8.150 nan 0.000 0.487 226 V N 2.063 122.002 119.914 0.042 0.000 2.459 226 V HA 0.804 4.924 4.120 -0.000 0.000 0.295 226 V C -0.378 175.731 176.094 0.025 0.000 1.029 226 V CA 0.002 62.327 62.300 0.043 0.000 0.874 226 V CB 1.666 33.507 31.823 0.030 0.000 0.985 226 V HN 0.666 nan 8.190 nan 0.000 0.438 227 T N 6.167 120.736 114.554 0.025 0.000 3.253 227 T HA 0.286 4.636 4.350 -0.000 0.000 0.391 227 T C 0.162 174.863 174.700 0.000 0.000 1.527 227 T CA 0.014 62.120 62.100 0.010 0.000 1.268 227 T CB -0.709 68.163 68.868 0.006 0.000 1.126 227 T HN 0.866 nan 8.240 nan 0.000 0.620 228 N N 2.349 121.048 118.700 -0.002 0.000 2.549 228 N HA 0.032 4.772 4.740 -0.000 0.000 0.267 228 N C 0.938 176.442 175.510 -0.010 0.000 1.182 228 N CA -0.432 52.613 53.050 -0.009 0.000 1.019 228 N CB 0.291 38.772 38.487 -0.011 0.000 1.380 228 N HN 0.428 nan 8.380 nan 0.000 0.505 229 S N 1.119 116.809 115.700 -0.016 0.000 2.618 229 S HA 0.091 4.561 4.470 -0.000 0.000 0.242 229 S C 0.549 175.147 174.600 -0.004 0.000 0.972 229 S CA -0.604 57.591 58.200 -0.008 0.000 1.004 229 S CB 0.576 63.770 63.200 -0.009 0.000 0.778 229 S HN 0.307 nan 8.310 nan 0.000 0.459 230 T N 1.378 115.928 114.554 -0.006 0.000 2.897 230 T HA 0.322 4.672 4.350 -0.000 0.000 0.278 230 T C 0.748 175.451 174.700 0.006 0.000 0.981 230 T CA -0.511 61.590 62.100 0.003 0.000 0.973 230 T CB 1.178 70.044 68.868 -0.004 0.000 1.092 230 T HN 0.141 nan 8.240 nan 0.000 0.543 231 E N 0.530 120.737 120.200 0.011 0.000 2.474 231 E HA 0.135 4.485 4.350 -0.000 0.000 0.194 231 E C 0.268 176.870 176.600 0.002 0.000 1.041 231 E CA 0.448 56.853 56.400 0.009 0.000 0.874 231 E CB 0.415 30.123 29.700 0.014 0.000 0.914 231 E HN 0.418 nan 8.360 nan 0.000 0.498 232 K N 0.262 120.661 120.400 -0.002 0.000 2.209 232 K HA 0.357 4.677 4.320 -0.000 0.000 0.238 232 K C -0.096 176.495 176.600 -0.015 0.000 1.028 232 K CA -0.238 56.043 56.287 -0.009 0.000 0.935 232 K CB 1.083 33.575 32.500 -0.015 0.000 1.162 232 K HN -0.237 nan 8.250 nan 0.000 0.485 233 T N 1.135 115.677 114.554 -0.020 0.000 2.812 233 T HA 0.181 4.531 4.350 -0.000 0.000 0.282 233 T C -0.813 173.867 174.700 -0.032 0.000 0.990 233 T CA -0.781 61.306 62.100 -0.022 0.000 0.960 233 T CB 1.210 70.068 68.868 -0.017 0.000 0.948 233 T HN 0.411 nan 8.240 nan 0.000 0.438 234 V N 3.291 123.184 119.914 -0.036 0.000 2.381 234 V HA 0.321 4.441 4.120 -0.000 0.000 0.257 234 V C 1.219 177.290 176.094 -0.038 0.000 1.057 234 V CA -0.076 62.195 62.300 -0.048 0.000 1.013 234 V CB -0.019 31.772 31.823 -0.053 0.000 1.069 234 V HN 0.805 nan 8.190 nan 0.000 0.484 235 K N 2.842 123.219 120.400 -0.039 0.000 2.057 235 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 235 K C 0.764 177.346 176.600 -0.030 0.000 1.049 235 K CA 1.544 57.812 56.287 -0.031 0.000 0.931 235 K CB 0.024 32.506 32.500 -0.030 0.000 0.714 235 K HN 0.698 nan 8.250 nan 0.000 0.440 236 K N 0.040 120.418 120.400 -0.037 0.000 2.532 236 K HA 0.407 4.727 4.320 -0.000 0.000 0.265 236 K C -1.850 174.726 176.600 -0.040 0.000 0.948 236 K CA -0.429 55.838 56.287 -0.033 0.000 0.842 236 K CB 1.510 33.992 32.500 -0.030 0.000 1.392 236 K HN -0.100 nan 8.250 nan 0.000 0.436 237 I N 3.498 124.049 120.570 -0.032 0.000 2.439 237 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 237 I C -0.586 175.515 176.117 -0.027 0.000 1.021 237 I CA -0.771 60.509 61.300 -0.033 0.000 1.091 237 I CB 1.827 39.813 38.000 -0.023 0.000 1.242 237 I HN 0.350 nan 8.210 nan 0.000 0.439 238 K N 5.317 125.699 120.400 -0.031 0.000 2.207 238 K HA 0.782 5.102 4.320 -0.000 0.000 0.255 238 K C -1.235 175.353 176.600 -0.020 0.000 0.941 238 K CA -0.814 55.459 56.287 -0.023 0.000 0.825 238 K CB 3.176 35.662 32.500 -0.023 0.000 1.119 238 K HN 0.230 nan 8.250 nan 0.000 0.430 239 V N 4.403 124.309 119.914 -0.014 0.000 2.577 239 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 239 V C -1.187 174.905 176.094 -0.004 0.000 1.042 239 V CA -0.933 61.361 62.300 -0.010 0.000 0.872 239 V CB 1.418 33.231 31.823 -0.016 0.000 0.998 239 V HN 0.572 nan 8.190 nan 0.000 0.423 240 L N 4.149 125.378 121.223 0.010 0.000 2.409 240 L HA 0.851 5.191 4.340 -0.000 0.000 0.255 240 L C -0.606 176.301 176.870 0.061 0.000 1.027 240 L CA -1.066 53.789 54.840 0.026 0.000 0.834 240 L CB 1.699 43.773 42.059 0.027 0.000 1.426 240 L HN 0.224 nan 8.230 nan 0.000 0.411 241 V N 0.637 120.603 119.914 0.087 0.000 2.347 241 V HA 0.481 4.601 4.120 -0.000 0.000 0.280 241 V C -0.240 175.952 176.094 0.163 0.000 1.021 241 V CA -0.334 62.072 62.300 0.177 0.000 0.847 241 V CB 1.049 32.991 31.823 0.198 0.000 0.990 241 V HN 0.784 nan 8.190 nan 0.000 0.444 242 E N 3.672 123.962 120.200 0.149 0.000 2.179 242 E HA 0.382 4.732 4.350 -0.000 0.000 0.275 242 E C -0.682 175.914 176.600 -0.007 0.000 0.945 242 E CA -0.584 55.856 56.400 0.066 0.000 0.792 242 E CB 2.365 32.085 29.700 0.033 0.000 1.125 242 E HN 0.602 nan 8.360 nan 0.000 0.397 243 Q N 3.144 122.881 119.800 -0.105 0.000 2.400 243 Q HA 0.255 4.595 4.340 -0.000 0.000 0.255 243 Q C -1.302 174.500 176.000 -0.331 0.000 1.008 243 Q CA -0.497 55.062 55.803 -0.405 0.000 0.841 243 Q CB 1.158 29.685 28.738 -0.351 0.000 1.220 243 Q HN 0.307 nan 8.270 nan 0.000 0.474 244 V N 4.273 123.978 119.914 -0.348 0.000 2.432 244 V HA 0.302 4.422 4.120 -0.000 0.000 0.271 244 V C -0.032 175.903 176.094 -0.264 0.000 1.046 244 V CA 0.008 62.143 62.300 -0.276 0.000 0.945 244 V CB 1.449 33.185 31.823 -0.145 0.000 0.992 244 V HN 0.764 nan 8.190 nan 0.000 0.471 245 T N 4.853 119.251 114.554 -0.259 0.000 2.829 245 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 245 T C -0.398 174.293 174.700 -0.014 0.000 0.999 245 T CA -0.615 61.418 62.100 -0.111 0.000 0.983 245 T CB 0.970 69.804 68.868 -0.056 0.000 0.968 245 T HN 0.670 nan 8.240 nan 0.000 0.446 246 N N 1.229 119.975 118.700 0.077 0.000 2.504 246 N HA 0.451 5.191 4.740 -0.000 0.000 0.280 246 N C -0.895 174.712 175.510 0.162 0.000 1.052 246 N CA -0.508 52.636 53.050 0.157 0.000 0.887 246 N CB 1.453 40.031 38.487 0.152 0.000 1.323 246 N HN 0.315 nan 8.380 nan 0.000 0.509 247 V N 2.350 122.400 119.914 0.226 0.000 2.555 247 V HA 0.082 4.202 4.120 -0.000 0.000 0.286 247 V C 1.141 177.307 176.094 0.119 0.000 1.044 247 V CA -0.149 62.292 62.300 0.235 0.000 1.026 247 V CB 1.025 33.081 31.823 0.389 0.000 0.981 247 V HN 0.610 nan 8.190 nan 0.000 0.480 248 V N 2.667 122.597 119.914 0.027 0.000 3.159 248 V HA 0.389 4.509 4.120 -0.000 0.000 0.333 248 V C 0.726 176.734 176.094 -0.144 0.000 1.424 248 V CA 0.416 62.690 62.300 -0.045 0.000 1.125 248 V CB -0.056 31.747 31.823 -0.033 0.000 1.075 248 V HN 0.677 nan 8.190 nan 0.000 0.482 249 L N -1.154 119.922 121.223 -0.245 0.000 2.526 249 L HA 0.339 4.679 4.340 -0.000 0.000 0.210 249 L C 1.968 178.740 176.870 -0.164 0.000 1.048 249 L CA 1.112 55.756 54.840 -0.327 0.000 0.852 249 L CB 0.416 41.929 42.059 -0.911 0.000 1.128 249 L HN 0.483 nan 8.230 nan 0.000 0.482 250 Y N -1.348 118.806 120.300 -0.244 0.000 2.526 250 Y HA 0.283 4.833 4.550 -0.000 0.000 0.265 250 Y C 0.617 176.235 175.900 -0.470 0.000 1.092 250 Y CA -0.168 57.630 58.100 -0.503 0.000 1.277 250 Y CB 1.036 39.141 38.460 -0.592 0.000 1.228 250 Y HN -0.054 nan 8.280 nan 0.000 0.507 251 S N -0.401 115.098 115.700 -0.336 0.000 2.540 251 S HA 0.435 4.905 4.470 -0.000 0.000 0.275 251 S C -0.767 173.797 174.600 -0.060 0.000 1.123 251 S CA -0.646 57.378 58.200 -0.293 0.000 0.907 251 S CB 1.460 64.488 63.200 -0.288 0.000 1.081 251 S HN 0.096 nan 8.310 nan 0.000 0.476 252 S N 3.569 119.236 115.700 -0.054 0.000 3.697 252 S HA 0.197 4.667 4.470 -0.000 0.000 0.207 252 S C -0.482 174.158 174.600 0.067 0.000 1.459 252 S CA -0.557 57.650 58.200 0.011 0.000 1.122 252 S CB -0.667 62.517 63.200 -0.026 0.000 1.311 252 S HN 0.637 nan 8.310 nan 0.000 0.487 253 D N 1.641 122.125 120.400 0.140 0.000 2.382 253 D HA 0.180 4.819 4.640 -0.000 0.000 0.240 253 D C -0.342 176.031 176.300 0.123 0.000 1.146 253 D CA 0.211 54.274 54.000 0.105 0.000 0.897 253 D CB 0.373 41.306 40.800 0.223 0.000 1.197 253 D HN 0.453 nan 8.370 nan 0.000 0.432 254 Y N 0.967 121.131 120.300 -0.226 0.000 2.354 254 Y HA 0.367 4.917 4.550 -0.000 0.000 0.330 254 Y C -1.838 173.893 175.900 -0.282 0.000 1.011 254 Y CA -0.800 57.223 58.100 -0.129 0.000 1.099 254 Y CB 0.812 39.221 38.460 -0.084 0.000 1.179 254 Y HN 0.250 nan 8.280 nan 0.000 0.442 255 Y N 6.685 126.678 120.300 -0.512 0.000 2.499 255 Y HA 0.673 5.223 4.550 -0.000 0.000 0.347 255 Y C -0.821 174.699 175.900 -0.634 0.000 0.987 255 Y CA -1.458 56.404 58.100 -0.398 0.000 1.044 255 Y CB 2.304 40.654 38.460 -0.184 0.000 1.245 255 Y HN 0.622 nan 8.280 nan 0.000 0.461 256 I N 3.452 123.887 120.570 -0.224 0.000 2.560 256 I HA 0.400 4.570 4.170 -0.000 0.000 0.283 256 I C -1.854 174.233 176.117 -0.049 0.000 1.115 256 I CA -0.562 60.622 61.300 -0.192 0.000 1.066 256 I CB 0.523 38.436 38.000 -0.144 0.000 1.221 256 I HN 0.490 nan 8.210 nan 0.000 0.450 257 K N 4.122 124.498 120.400 -0.041 0.000 2.350 257 K HA 0.580 4.900 4.320 -0.000 0.000 0.241 257 K C -0.687 175.920 176.600 0.012 0.000 0.994 257 K CA -0.819 55.469 56.287 0.001 0.000 0.839 257 K CB 1.874 34.380 32.500 0.011 0.000 1.244 257 K HN 0.401 nan 8.250 nan 0.000 0.443 258 T N 1.169 115.741 114.554 0.029 0.000 2.743 258 T HA 0.221 4.571 4.350 -0.000 0.000 0.293 258 T C 1.005 175.738 174.700 0.056 0.000 0.945 258 T CA -0.555 61.571 62.100 0.043 0.000 1.030 258 T CB 0.431 69.320 68.868 0.036 0.000 0.912 258 T HN 0.399 nan 8.240 nan 0.000 0.483 259 V N 0.056 120.020 119.914 0.083 0.000 3.427 259 V HA 0.818 4.938 4.120 -0.000 0.000 0.305 259 V C 0.298 176.436 176.094 0.074 0.000 1.412 259 V CA -0.262 62.092 62.300 0.091 0.000 1.086 259 V CB -0.831 31.079 31.823 0.146 0.000 0.964 259 V HN 0.992 nan 8.190 nan 0.000 0.439 260 A N -0.250 122.606 122.820 0.059 0.000 2.580 260 A HA 0.891 5.211 4.320 -0.000 0.000 0.301 260 A C -0.790 176.810 177.584 0.026 0.000 1.054 260 A CA 0.222 52.280 52.037 0.036 0.000 0.751 260 A CB 0.648 19.664 19.000 0.026 0.000 1.275 260 A HN 1.839 nan 8.150 nan 0.000 0.403 261 A N 1.792 124.620 122.820 0.013 0.000 2.547 261 A HA 0.902 5.222 4.320 -0.000 0.000 0.297 261 A C -1.206 176.377 177.584 -0.002 0.000 1.056 261 A CA -0.412 51.629 52.037 0.006 0.000 0.688 261 A CB 1.530 20.536 19.000 0.011 0.000 1.282 261 A HN 0.763 nan 8.150 nan 0.000 0.400 262 E N 0.530 120.725 120.200 -0.008 0.000 2.413 262 E HA 0.534 4.883 4.350 -0.000 0.000 0.277 262 E C -1.369 175.224 176.600 -0.012 0.000 0.958 262 E CA -0.408 55.985 56.400 -0.011 0.000 0.779 262 E CB 2.371 32.061 29.700 -0.017 0.000 1.278 262 E HN 0.827 nan 8.360 nan 0.000 0.456 263 E N -0.366 119.827 120.200 -0.011 0.000 2.331 263 E HA 0.785 5.135 4.350 -0.000 0.000 0.275 263 E C -1.111 175.482 176.600 -0.012 0.000 0.895 263 E CA -1.170 55.222 56.400 -0.013 0.000 0.753 263 E CB 1.862 31.554 29.700 -0.013 0.000 1.216 263 E HN 0.396 nan 8.360 nan 0.000 0.434 264 A N 1.743 124.555 122.820 -0.013 0.000 2.304 264 A HA 0.203 4.523 4.320 -0.000 0.000 0.271 264 A C 0.575 178.152 177.584 -0.011 0.000 1.091 264 A CA -0.448 51.582 52.037 -0.011 0.000 0.812 264 A CB 0.853 19.847 19.000 -0.010 0.000 1.056 264 A HN 0.650 nan 8.150 nan 0.000 0.489 265 Q N 0.181 119.976 119.800 -0.009 0.000 2.302 265 Q HA 0.042 4.382 4.340 -0.000 0.000 0.202 265 Q C 0.156 176.150 176.000 -0.009 0.000 0.936 265 Q CA 0.647 56.445 55.803 -0.009 0.000 0.886 265 Q CB -0.355 28.379 28.738 -0.007 0.000 0.986 265 Q HN 0.855 nan 8.270 nan 0.000 0.487 266 E N 1.305 121.500 120.200 -0.008 0.000 2.478 266 E HA 0.053 4.403 4.350 -0.000 0.000 0.262 266 E C -0.261 176.332 176.600 -0.011 0.000 1.243 266 E CA 0.688 57.083 56.400 -0.008 0.000 1.039 266 E CB 0.407 30.103 29.700 -0.007 0.000 0.983 266 E HN -0.067 nan 8.360 nan 0.000 0.479 267 K N -0.677 119.717 120.400 -0.011 0.000 2.512 267 K HA 0.543 4.863 4.320 -0.000 0.000 0.263 267 K C -1.551 175.042 176.600 -0.012 0.000 0.966 267 K CA -0.844 55.435 56.287 -0.014 0.000 0.851 267 K CB 2.350 34.842 32.500 -0.013 0.000 1.395 267 K HN 0.107 nan 8.250 nan 0.000 0.440 268 V N 2.972 122.877 119.914 -0.015 0.000 2.289 268 V HA 0.236 4.355 4.120 -0.000 0.000 0.272 268 V C -2.424 173.662 176.094 -0.013 0.000 1.026 268 V CA -1.895 60.397 62.300 -0.012 0.000 0.807 268 V CB 0.753 32.568 31.823 -0.013 0.000 1.044 268 V HN 0.578 nan 8.190 nan 0.000 0.443 269 P HA 0.165 nan 4.420 nan 0.000 0.270 269 P C -2.555 174.741 177.300 -0.006 0.000 1.227 269 P CA -0.995 62.100 63.100 -0.008 0.000 0.788 269 P CB -0.059 31.637 31.700 -0.005 0.000 0.926 270 P HA -0.050 nan 4.420 nan 0.000 0.266 270 P C -0.486 176.814 177.300 -0.001 0.000 1.193 270 P CA 0.739 63.838 63.100 -0.003 0.000 0.770 270 P CB -0.295 31.405 31.700 -0.000 0.000 0.836 271 N N -0.550 118.150 118.700 -0.000 0.000 2.688 271 N HA -0.154 4.586 4.740 -0.000 0.000 0.258 271 N C -0.810 174.700 175.510 0.001 0.000 1.016 271 N CA 1.388 54.439 53.050 0.002 0.000 0.747 271 N CB -1.367 37.123 38.487 0.004 0.000 0.895 271 N HN 0.503 nan 8.380 nan 0.000 0.543 272 S N -2.772 112.928 115.700 -0.001 0.000 2.547 272 S HA 0.799 5.269 4.470 -0.000 0.000 0.270 272 S C -0.455 174.145 174.600 0.000 0.000 1.150 272 S CA -0.900 57.300 58.200 -0.000 0.000 0.850 272 S CB 2.200 65.400 63.200 -0.001 0.000 1.118 272 S HN 0.036 nan 8.310 nan 0.000 0.461 273 S N 0.428 116.129 115.700 0.002 0.000 2.766 273 S HA 0.948 5.418 4.470 -0.000 0.000 0.307 273 S C -1.242 173.360 174.600 0.003 0.000 1.121 273 S CA -0.729 57.473 58.200 0.004 0.000 0.980 273 S CB 1.240 64.443 63.200 0.005 0.000 1.159 273 S HN 1.278 nan 8.310 nan 0.000 0.546 274 L N 0.862 122.089 121.223 0.006 0.000 2.643 274 L HA 0.518 4.858 4.340 -0.000 0.000 0.257 274 L C -1.641 175.235 176.870 0.010 0.000 0.922 274 L CA 0.149 54.992 54.840 0.005 0.000 0.909 274 L CB 1.657 43.717 42.059 0.002 0.000 1.424 274 L HN 0.631 nan 8.230 nan 0.000 0.422 275 T N 3.581 118.140 114.554 0.008 0.000 2.906 275 T HA 0.646 4.996 4.350 -0.000 0.000 0.302 275 T C -0.928 173.776 174.700 0.007 0.000 1.002 275 T CA -0.541 61.566 62.100 0.010 0.000 0.988 275 T CB 1.307 70.180 68.868 0.010 0.000 0.972 275 T HN 0.631 nan 8.240 nan 0.000 0.447 276 K N 1.663 122.067 120.400 0.007 0.000 2.400 276 K HA 0.799 5.119 4.320 -0.000 0.000 0.246 276 K C -0.923 175.678 176.600 0.001 0.000 0.995 276 K CA -0.641 55.648 56.287 0.002 0.000 0.840 276 K CB 2.153 34.653 32.500 -0.000 0.000 1.293 276 K HN 0.482 nan 8.250 nan 0.000 0.445 277 T N 3.081 117.633 114.554 -0.004 0.000 3.050 277 T HA 0.483 4.833 4.350 -0.000 0.000 0.310 277 T C -1.275 173.415 174.700 -0.016 0.000 0.978 277 T CA -0.762 61.333 62.100 -0.009 0.000 1.013 277 T CB 0.039 68.904 68.868 -0.006 0.000 1.000 277 T HN 0.417 nan 8.240 nan 0.000 0.447 278 L N 3.564 124.773 121.223 -0.023 0.000 2.344 278 L HA 0.671 5.011 4.340 -0.000 0.000 0.272 278 L C 0.356 177.197 176.870 -0.048 0.000 1.035 278 L CA -1.055 53.767 54.840 -0.030 0.000 0.807 278 L CB 1.986 44.029 42.059 -0.028 0.000 1.237 278 L HN 0.551 nan 8.230 nan 0.000 0.442 279 T N 2.902 117.428 114.554 -0.046 0.000 2.792 279 T HA 0.660 5.010 4.350 -0.000 0.000 0.280 279 T C -0.481 174.180 174.700 -0.066 0.000 0.990 279 T CA -0.397 61.665 62.100 -0.063 0.000 0.960 279 T CB 1.281 70.124 68.868 -0.041 0.000 0.939 279 T HN 0.130 nan 8.240 nan 0.000 0.439 280 L N 3.009 124.171 121.223 -0.101 0.000 2.333 280 L HA 0.761 5.101 4.340 -0.000 0.000 0.269 280 L C -0.464 176.348 176.870 -0.097 0.000 1.010 280 L CA -0.894 53.895 54.840 -0.086 0.000 0.818 280 L CB 1.946 43.951 42.059 -0.090 0.000 1.306 280 L HN 0.346 nan 8.230 nan 0.000 0.430 281 V N 1.789 121.670 119.914 -0.056 0.000 2.385 281 V HA 0.325 4.444 4.120 -0.000 0.000 0.277 281 V C -2.398 173.684 176.094 -0.020 0.000 1.012 281 V CA -1.399 60.874 62.300 -0.044 0.000 0.832 281 V CB 1.335 33.149 31.823 -0.015 0.000 1.028 281 V HN 0.569 nan 8.190 nan 0.000 0.436 282 P HA 0.233 nan 4.420 nan 0.000 0.258 282 P C -0.770 176.543 177.300 0.023 0.000 1.214 282 P CA 0.659 63.761 63.100 0.003 0.000 0.872 282 P CB 0.124 31.800 31.700 -0.040 0.000 0.890 283 L N 2.938 124.191 121.223 0.051 0.000 2.422 283 L HA 0.295 4.635 4.340 -0.000 0.000 0.264 283 L C 1.166 178.079 176.870 0.071 0.000 0.984 283 L CA -0.962 53.919 54.840 0.068 0.000 0.819 283 L CB 2.123 44.213 42.059 0.052 0.000 1.330 283 L HN 0.098 nan 8.230 nan 0.000 0.410 284 L N 2.938 124.208 121.223 0.078 0.000 2.083 284 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 284 L C 2.304 179.204 176.870 0.050 0.000 1.083 284 L CA 2.376 57.255 54.840 0.065 0.000 0.752 284 L CB -0.421 41.673 42.059 0.058 0.000 0.899 284 L HN 0.817 nan 8.230 nan 0.000 0.433 285 A N -0.789 122.059 122.820 0.047 0.000 2.178 285 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 285 A C 1.872 179.478 177.584 0.036 0.000 1.157 285 A CA 1.288 53.348 52.037 0.039 0.000 0.689 285 A CB -0.777 18.245 19.000 0.037 0.000 0.787 285 A HN 0.593 nan 8.150 nan 0.000 0.465 286 N N 0.502 119.225 118.700 0.038 0.000 2.443 286 N HA -0.058 4.682 4.740 -0.000 0.000 0.184 286 N C 0.149 175.678 175.510 0.031 0.000 1.037 286 N CA 0.680 53.750 53.050 0.033 0.000 0.896 286 N CB -0.196 38.311 38.487 0.034 0.000 0.959 286 N HN 0.532 nan 8.380 nan 0.000 0.442 287 N N -0.532 118.188 118.700 0.034 0.000 2.331 287 N HA 0.124 4.864 4.740 -0.000 0.000 0.280 287 N C 0.212 175.742 175.510 0.033 0.000 1.155 287 N CA -0.381 52.688 53.050 0.032 0.000 0.822 287 N CB 1.911 40.418 38.487 0.033 0.000 1.619 287 N HN -0.147 nan 8.380 nan 0.000 0.476 288 R N 1.039 121.558 120.500 0.032 0.000 2.115 288 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 288 R C -0.224 176.100 176.300 0.040 0.000 1.100 288 R CA 0.994 57.115 56.100 0.035 0.000 0.980 288 R CB 0.076 30.395 30.300 0.032 0.000 0.875 288 R HN 0.456 nan 8.270 nan 0.000 0.445 289 E N 1.467 121.688 120.200 0.036 0.000 2.104 289 E HA -0.027 4.323 4.350 -0.000 0.000 0.278 289 E C -0.354 176.267 176.600 0.035 0.000 1.127 289 E CA 0.049 56.471 56.400 0.038 0.000 0.897 289 E CB 0.552 30.272 29.700 0.033 0.000 1.043 289 E HN 0.265 nan 8.360 nan 0.000 0.410 290 R N 3.781 124.304 120.500 0.039 0.000 2.515 290 R HA 0.339 4.679 4.340 -0.000 0.000 0.294 290 R C 0.181 176.485 176.300 0.006 0.000 1.021 290 R CA -0.320 55.793 56.100 0.022 0.000 1.081 290 R CB 0.424 30.734 30.300 0.018 0.000 1.263 290 R HN 0.114 nan 8.270 nan 0.000 0.557 291 R N 0.186 120.695 120.500 0.015 0.000 2.604 291 R HA 0.386 4.726 4.340 -0.000 0.000 0.287 291 R C 0.451 176.742 176.300 -0.015 0.000 0.970 291 R CA 0.103 56.203 56.100 -0.000 0.000 0.946 291 R CB 1.621 31.940 30.300 0.031 0.000 1.127 291 R HN 0.315 nan 8.270 nan 0.000 0.473 292 G N 1.577 110.338 108.800 -0.067 0.000 2.143 292 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.249 292 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.249 292 G C 0.041 174.854 174.900 -0.144 0.000 0.981 292 G CA 0.472 45.530 45.100 -0.070 0.000 0.665 292 G HN 0.593 nan 8.290 nan 0.000 0.528 293 I N -3.059 117.413 120.570 -0.164 0.000 2.730 293 I HA 0.856 5.026 4.170 -0.000 0.000 0.298 293 I C 0.199 176.224 176.117 -0.153 0.000 1.089 293 I CA -1.289 59.930 61.300 -0.134 0.000 1.041 293 I CB 2.168 40.143 38.000 -0.041 0.000 1.235 293 I HN 0.392 nan 8.210 nan 0.000 0.423 294 A N 6.469 129.212 122.820 -0.129 0.000 2.404 294 A HA 0.697 5.017 4.320 -0.000 0.000 0.273 294 A C -0.319 177.262 177.584 -0.006 0.000 1.144 294 A CA -0.240 51.746 52.037 -0.085 0.000 0.806 294 A CB 0.058 19.016 19.000 -0.070 0.000 1.080 294 A HN 0.693 nan 8.150 nan 0.000 0.509 295 L N 1.478 122.696 121.223 -0.009 0.000 2.286 295 L HA 0.482 4.822 4.340 -0.000 0.000 0.265 295 L C 0.357 177.249 176.870 0.038 0.000 1.012 295 L CA -0.881 53.971 54.840 0.019 0.000 0.818 295 L CB 1.729 43.780 42.059 -0.013 0.000 1.337 295 L HN 0.814 nan 8.230 nan 0.000 0.438 296 D N -1.381 119.046 120.400 0.045 0.000 2.363 296 D HA 0.295 4.934 4.640 -0.000 0.000 0.214 296 D C 0.338 176.667 176.300 0.049 0.000 1.093 296 D CA -0.055 53.980 54.000 0.058 0.000 0.837 296 D CB 0.829 41.660 40.800 0.051 0.000 0.948 296 D HN 0.581 nan 8.370 nan 0.000 0.507 297 G N -0.760 108.054 108.800 0.023 0.000 2.663 297 G HA2 0.368 4.327 3.960 -0.000 0.000 0.299 297 G HA3 0.368 4.327 3.960 -0.000 0.000 0.299 297 G C -1.155 173.712 174.900 -0.055 0.000 1.372 297 G CA -1.126 43.983 45.100 0.016 0.000 0.781 297 G HN -0.033 nan 8.290 nan 0.000 0.491 298 K N 0.091 120.410 120.400 -0.134 0.000 2.295 298 K HA 0.227 4.547 4.320 -0.000 0.000 0.270 298 K C 1.244 177.666 176.600 -0.296 0.000 1.011 298 K CA -0.414 55.697 56.287 -0.293 0.000 0.953 298 K CB 1.843 34.011 32.500 -0.553 0.000 0.956 298 K HN 0.370 nan 8.250 nan 0.000 0.477 299 I N 2.218 122.593 120.570 -0.326 0.000 2.264 299 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 299 I C 1.894 177.808 176.117 -0.339 0.000 1.111 299 I CA 1.677 62.803 61.300 -0.289 0.000 1.382 299 I CB -0.288 37.536 38.000 -0.293 0.000 1.060 299 I HN 0.604 nan 8.210 nan 0.000 0.418 300 K N 0.032 120.076 120.400 -0.593 0.000 2.569 300 K HA 0.047 4.367 4.320 -0.000 0.000 0.193 300 K C 0.061 176.631 176.600 -0.050 0.000 1.026 300 K CA 0.472 56.518 56.287 -0.401 0.000 1.093 300 K CB -0.388 31.779 32.500 -0.554 0.000 0.849 300 K HN 0.411 nan 8.250 nan 0.000 0.509 301 H N -0.119 118.876 119.070 -0.125 0.000 2.492 301 H HA 0.074 4.630 4.556 -0.000 0.000 0.345 301 H C 0.307 175.604 175.328 -0.052 0.000 1.136 301 H CA -1.019 54.983 56.048 -0.075 0.000 1.202 301 H CB 2.276 31.992 29.762 -0.077 0.000 1.524 301 H HN 0.055 nan 8.280 nan 0.000 0.506 302 E N 1.557 121.799 120.200 0.069 0.000 2.012 302 E HA -0.216 4.133 4.350 -0.000 0.000 0.197 302 E C 1.497 178.105 176.600 0.013 0.000 1.007 302 E CA 2.032 58.445 56.400 0.022 0.000 0.816 302 E CB -0.154 29.540 29.700 -0.011 0.000 0.762 302 E HN 0.799 nan 8.360 nan 0.000 0.451 303 D N -0.276 120.114 120.400 -0.015 0.000 2.389 303 D HA -0.100 4.540 4.640 -0.000 0.000 0.221 303 D C -0.022 176.274 176.300 -0.006 0.000 0.974 303 D CA 0.518 54.502 54.000 -0.026 0.000 0.923 303 D CB -0.907 39.848 40.800 -0.075 0.000 0.892 303 D HN 0.029 nan 8.370 nan 0.000 0.518 304 T N 1.739 116.307 114.554 0.023 0.000 2.916 304 T HA 0.155 4.505 4.350 -0.000 0.000 0.303 304 T C 0.346 175.055 174.700 0.014 0.000 1.025 304 T CA -0.195 61.917 62.100 0.020 0.000 1.142 304 T CB 0.639 69.519 68.868 0.020 0.000 0.947 304 T HN 0.186 nan 8.240 nan 0.000 0.544 305 N N 1.632 120.338 118.700 0.009 0.000 2.701 305 N HA 0.475 5.215 4.740 -0.000 0.000 0.290 305 N C -0.786 174.747 175.510 0.038 0.000 1.338 305 N CA -0.818 52.238 53.050 0.010 0.000 0.799 305 N CB 0.898 39.353 38.487 -0.053 0.000 1.491 305 N HN 0.223 nan 8.380 nan 0.000 0.540 306 L N 1.123 122.401 121.223 0.092 0.000 2.452 306 L HA 0.348 4.688 4.340 -0.000 0.000 0.267 306 L C 1.070 178.062 176.870 0.205 0.000 1.188 306 L CA -0.201 54.743 54.840 0.175 0.000 0.821 306 L CB 0.047 42.273 42.059 0.278 0.000 1.102 306 L HN 0.570 nan 8.230 nan 0.000 0.470 307 A N 1.663 124.613 122.820 0.216 0.000 2.407 307 A HA 0.485 4.805 4.320 -0.000 0.000 0.248 307 A C 0.338 178.134 177.584 0.352 0.000 1.082 307 A CA -0.360 51.803 52.037 0.211 0.000 0.785 307 A CB -0.012 19.073 19.000 0.143 0.000 1.020 307 A HN 0.722 nan 8.150 nan 0.000 0.489 308 S N 0.693 116.573 115.700 0.301 0.000 2.645 308 S HA 0.366 4.836 4.470 -0.000 0.000 0.266 308 S C 0.637 175.406 174.600 0.281 0.000 1.258 308 S CA -0.601 57.790 58.200 0.317 0.000 0.990 308 S CB 0.815 64.179 63.200 0.273 0.000 0.967 308 S HN 0.754 nan 8.310 nan 0.000 0.556 309 S N 1.741 117.586 115.700 0.242 0.000 2.558 309 S HA 0.110 4.580 4.470 -0.000 0.000 0.288 309 S C 0.367 175.039 174.600 0.121 0.000 1.318 309 S CA -0.178 58.133 58.200 0.185 0.000 1.056 309 S CB 0.099 63.372 63.200 0.122 0.000 0.853 309 S HN 0.653 nan 8.310 nan 0.000 0.505 310 T N 4.294 118.900 114.554 0.087 0.000 2.884 310 T HA 0.268 4.618 4.350 -0.000 0.000 0.298 310 T C 0.087 174.829 174.700 0.071 0.000 0.998 310 T CA -0.179 61.969 62.100 0.080 0.000 1.124 310 T CB 0.029 68.936 68.868 0.066 0.000 0.931 310 T HN 0.290 nan 8.240 nan 0.000 0.531 311 I N 4.425 125.039 120.570 0.073 0.000 2.355 311 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 311 I C 0.056 176.211 176.117 0.063 0.000 0.999 311 I CA -0.656 60.684 61.300 0.065 0.000 1.163 311 I CB 1.151 39.191 38.000 0.067 0.000 1.316 311 I HN 0.585 nan 8.210 nan 0.000 0.454 312 I N 6.025 126.630 120.570 0.057 0.000 2.307 312 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 312 I C 0.815 176.965 176.117 0.056 0.000 1.054 312 I CA -0.696 60.639 61.300 0.058 0.000 1.218 312 I CB 0.677 38.708 38.000 0.052 0.000 1.398 312 I HN 0.506 nan 8.210 nan 0.000 0.475 313 K N 4.552 124.989 120.400 0.061 0.000 2.550 313 K HA -0.100 4.220 4.320 -0.000 0.000 0.280 313 K C 0.269 176.902 176.600 0.055 0.000 0.987 313 K CA 0.117 56.440 56.287 0.059 0.000 1.048 313 K CB 0.562 33.103 32.500 0.069 0.000 0.879 313 K HN 0.402 nan 8.250 nan 0.000 0.491 314 E N 2.060 122.288 120.200 0.047 0.000 2.384 314 E HA 0.106 4.456 4.350 -0.000 0.000 0.266 314 E C 0.722 177.347 176.600 0.042 0.000 1.012 314 E CA 1.489 57.913 56.400 0.041 0.000 0.901 314 E CB 0.602 30.323 29.700 0.035 0.000 0.967 314 E HN 0.722 nan 8.360 nan 0.000 0.435 315 G N 3.661 112.483 108.800 0.036 0.000 2.284 315 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 315 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 315 G C 0.414 175.332 174.900 0.031 0.000 1.009 315 G CA -0.028 45.091 45.100 0.032 0.000 0.625 315 G HN 0.729 nan 8.290 nan 0.000 0.501 316 I N -0.121 120.475 120.570 0.043 0.000 2.472 316 I HA 0.629 4.799 4.170 -0.000 0.000 0.290 316 I C -0.265 175.872 176.117 0.034 0.000 1.016 316 I CA -0.856 60.470 61.300 0.043 0.000 1.348 316 I CB 1.335 39.383 38.000 0.080 0.000 1.417 316 I HN -0.001 nan 8.210 nan 0.000 0.521 317 D N 5.755 126.167 120.400 0.020 0.000 2.401 317 D HA -0.030 4.610 4.640 -0.000 0.000 0.254 317 D C 1.163 177.475 176.300 0.021 0.000 1.192 317 D CA -0.146 53.863 54.000 0.014 0.000 0.885 317 D CB 1.343 42.144 40.800 0.001 0.000 1.147 317 D HN 0.817 nan 8.370 nan 0.000 0.478 318 K N 1.538 121.949 120.400 0.019 0.000 2.218 318 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 318 K C 1.444 178.050 176.600 0.010 0.000 1.046 318 K CA 1.736 58.037 56.287 0.023 0.000 0.933 318 K CB -0.588 31.925 32.500 0.021 0.000 0.728 318 K HN 0.452 nan 8.250 nan 0.000 0.454 319 T N -1.256 113.294 114.554 -0.006 0.000 2.962 319 T HA -0.034 4.315 4.350 -0.000 0.000 0.270 319 T C 1.928 176.606 174.700 -0.037 0.000 1.088 319 T CA 0.907 62.986 62.100 -0.034 0.000 1.127 319 T CB -0.363 68.479 68.868 -0.042 0.000 0.883 319 T HN 0.069 nan 8.240 nan 0.000 0.493 320 V N 0.703 120.619 119.914 0.003 0.000 3.078 320 V HA 0.056 4.176 4.120 -0.000 0.000 0.265 320 V C 2.387 178.515 176.094 0.057 0.000 1.122 320 V CA 1.201 63.522 62.300 0.034 0.000 1.141 320 V CB -0.788 31.072 31.823 0.062 0.000 0.735 320 V HN 0.412 nan 8.190 nan 0.000 0.498 321 M N -0.277 119.349 119.600 0.044 0.000 2.562 321 M HA 0.210 4.689 4.480 -0.000 0.000 0.257 321 M C 1.755 178.087 176.300 0.053 0.000 1.099 321 M CA 1.113 56.455 55.300 0.070 0.000 1.099 321 M CB -0.411 32.229 32.600 0.067 0.000 1.427 321 M HN 0.419 nan 8.290 nan 0.000 0.489 322 G N 0.657 109.427 108.800 -0.048 0.000 4.754 322 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.222 322 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.222 322 G C 0.435 175.305 174.900 -0.051 0.000 1.377 322 G CA 0.427 45.424 45.100 -0.172 0.000 0.942 322 G HN 0.437 nan 8.290 nan 0.000 0.671 323 I N 1.407 122.038 120.570 0.102 0.000 2.499 323 I HA 0.483 4.653 4.170 -0.000 0.000 0.288 323 I C -0.253 175.919 176.117 0.092 0.000 1.048 323 I CA -0.748 60.633 61.300 0.135 0.000 1.062 323 I CB 1.970 40.086 38.000 0.193 0.000 1.238 323 I HN 0.133 nan 8.210 nan 0.000 0.426 324 L N 6.720 127.985 121.223 0.071 0.000 2.275 324 L HA 0.585 4.925 4.340 -0.000 0.000 0.288 324 L C -0.609 176.269 176.870 0.015 0.000 1.046 324 L CA -0.806 54.062 54.840 0.047 0.000 0.805 324 L CB 1.544 43.629 42.059 0.043 0.000 1.193 324 L HN 0.271 nan 8.230 nan 0.000 0.426 325 V N 2.275 122.187 119.914 -0.002 0.000 2.555 325 V HA 0.673 4.793 4.120 -0.000 0.000 0.302 325 V C -0.121 175.903 176.094 -0.116 0.000 1.038 325 V CA -0.365 61.886 62.300 -0.082 0.000 0.887 325 V CB 1.978 33.777 31.823 -0.040 0.000 0.991 325 V HN 0.935 nan 8.190 nan 0.000 0.434 326 S N 3.483 119.016 115.700 -0.278 0.000 2.579 326 S HA 0.844 5.314 4.470 -0.000 0.000 0.272 326 S C -1.625 172.652 174.600 -0.539 0.000 1.141 326 S CA -0.815 57.236 58.200 -0.249 0.000 0.843 326 S CB 1.743 64.870 63.200 -0.123 0.000 1.122 326 S HN 0.412 nan 8.310 nan 0.000 0.468 327 Y N 0.698 120.794 120.300 -0.340 0.000 2.570 327 Y HA 0.734 5.284 4.550 -0.000 0.000 0.345 327 Y C 0.059 175.629 175.900 -0.551 0.000 1.014 327 Y CA -0.589 57.201 58.100 -0.517 0.000 1.063 327 Y CB 2.130 40.047 38.460 -0.906 0.000 1.272 327 Y HN 0.961 nan 8.280 nan 0.000 0.477 328 Q N 0.756 120.477 119.800 -0.130 0.000 2.522 328 Q HA 0.633 4.973 4.340 -0.000 0.000 0.285 328 Q C -2.155 174.040 176.000 0.324 0.000 0.982 328 Q CA -0.890 54.974 55.803 0.102 0.000 0.805 328 Q CB 2.322 31.102 28.738 0.070 0.000 1.457 328 Q HN 0.704 nan 8.270 nan 0.000 0.394 329 I N 1.403 122.178 120.570 0.341 0.000 2.377 329 I HA 0.436 4.605 4.170 -0.000 0.000 0.293 329 I C -0.545 175.650 176.117 0.130 0.000 0.987 329 I CA -0.713 60.718 61.300 0.218 0.000 1.185 329 I CB 1.765 39.843 38.000 0.130 0.000 1.341 329 I HN 0.528 nan 8.210 nan 0.000 0.455 330 K N 5.910 126.357 120.400 0.078 0.000 2.323 330 K HA 0.614 4.934 4.320 -0.000 0.000 0.259 330 K C -1.537 175.065 176.600 0.003 0.000 0.947 330 K CA -0.556 55.749 56.287 0.030 0.000 0.819 330 K CB 1.927 34.440 32.500 0.022 0.000 1.109 330 K HN 0.348 nan 8.250 nan 0.000 0.429 331 V N 4.750 124.647 119.914 -0.029 0.000 2.384 331 V HA 0.337 4.457 4.120 -0.000 0.000 0.287 331 V C -0.595 175.454 176.094 -0.075 0.000 1.020 331 V CA -0.778 61.500 62.300 -0.036 0.000 0.850 331 V CB 1.428 33.243 31.823 -0.012 0.000 0.987 331 V HN 0.698 nan 8.190 nan 0.000 0.436 332 K N 5.831 126.192 120.400 -0.065 0.000 2.367 332 K HA 0.593 4.913 4.320 -0.000 0.000 0.263 332 K C -1.188 175.355 176.600 -0.096 0.000 1.000 332 K CA -0.446 55.789 56.287 -0.086 0.000 0.891 332 K CB 1.688 34.151 32.500 -0.062 0.000 1.117 332 K HN 0.537 nan 8.250 nan 0.000 0.443 333 L N 3.130 124.265 121.223 -0.146 0.000 2.262 333 L HA 0.255 4.595 4.340 -0.000 0.000 0.288 333 L C 0.002 176.785 176.870 -0.145 0.000 1.035 333 L CA -0.570 54.181 54.840 -0.148 0.000 0.820 333 L CB 1.258 43.191 42.059 -0.210 0.000 1.204 333 L HN 0.525 nan 8.230 nan 0.000 0.424 334 T N 3.157 117.651 114.554 -0.100 0.000 2.723 334 T HA 0.279 4.629 4.350 -0.000 0.000 0.297 334 T C 0.163 174.813 174.700 -0.084 0.000 0.925 334 T CA -0.235 61.814 62.100 -0.085 0.000 1.030 334 T CB 0.992 69.825 68.868 -0.058 0.000 0.905 334 T HN 0.165 nan 8.240 nan 0.000 0.502 335 V N 4.702 124.560 119.914 -0.093 0.000 2.394 335 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 335 V C 0.755 176.817 176.094 -0.054 0.000 1.031 335 V CA -0.976 61.276 62.300 -0.081 0.000 0.881 335 V CB 1.510 33.270 31.823 -0.104 0.000 0.982 335 V HN 1.065 nan 8.190 nan 0.000 0.451 336 S N 4.334 120.010 115.700 -0.041 0.000 2.558 336 S HA 0.337 4.807 4.470 -0.000 0.000 0.288 336 S C 0.453 175.038 174.600 -0.024 0.000 1.318 336 S CA 0.047 58.230 58.200 -0.029 0.000 1.056 336 S CB 0.873 64.060 63.200 -0.022 0.000 0.853 336 S HN 1.104 nan 8.310 nan 0.000 0.505 337 G N 2.170 110.959 108.800 -0.019 0.000 2.502 337 G HA2 0.466 4.426 3.960 -0.000 0.000 0.305 337 G HA3 0.466 4.426 3.960 -0.000 0.000 0.305 337 G C -0.133 174.762 174.900 -0.008 0.000 1.190 337 G CA -1.063 44.029 45.100 -0.013 0.000 0.933 337 G HN 0.821 nan 8.290 nan 0.000 0.503 338 L N 0.905 122.126 121.223 -0.003 0.000 2.605 338 L HA -0.052 4.288 4.340 -0.000 0.000 0.296 338 L C 1.429 178.298 176.870 -0.002 0.000 1.255 338 L CA -0.094 54.746 54.840 0.000 0.000 0.879 338 L CB 0.364 42.425 42.059 0.003 0.000 1.124 338 L HN 0.380 nan 8.230 nan 0.000 0.507 339 L N 5.235 126.458 121.223 -0.001 0.000 2.740 339 L HA -0.074 4.266 4.340 -0.000 0.000 0.242 339 L C 1.594 178.463 176.870 -0.001 0.000 1.175 339 L CA 1.240 56.079 54.840 -0.002 0.000 0.859 339 L CB -1.430 40.628 42.059 -0.001 0.000 0.992 339 L HN 0.827 nan 8.230 nan 0.000 0.454 340 G N -0.198 108.602 108.800 -0.001 0.000 3.562 340 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.279 340 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.279 340 G C 0.520 175.419 174.900 -0.002 0.000 1.314 340 G CA -0.373 44.726 45.100 -0.000 0.000 1.189 340 G HN 0.408 nan 8.290 nan 0.000 0.562 341 E N 0.331 120.529 120.200 -0.003 0.000 2.481 341 E HA 0.055 4.405 4.350 -0.000 0.000 0.240 341 E C 1.138 177.735 176.600 -0.005 0.000 1.193 341 E CA -0.062 56.335 56.400 -0.005 0.000 0.955 341 E CB 0.255 29.952 29.700 -0.006 0.000 1.006 341 E HN 0.241 nan 8.360 nan 0.000 0.483 342 L N 3.746 124.966 121.223 -0.005 0.000 2.433 342 L HA 0.329 4.669 4.340 -0.000 0.000 0.200 342 L C 0.043 176.909 176.870 -0.007 0.000 1.059 342 L CA 0.912 55.749 54.840 -0.005 0.000 0.835 342 L CB 0.463 42.520 42.059 -0.004 0.000 1.076 342 L HN 0.530 nan 8.230 nan 0.000 0.481 343 T N -0.935 113.614 114.554 -0.008 0.000 2.883 343 T HA 0.592 4.942 4.350 -0.000 0.000 0.296 343 T C -0.885 173.807 174.700 -0.014 0.000 1.117 343 T CA -0.381 61.713 62.100 -0.011 0.000 1.006 343 T CB 1.782 70.644 68.868 -0.011 0.000 1.191 343 T HN 0.169 nan 8.240 nan 0.000 0.508 344 S N 0.623 116.311 115.700 -0.019 0.000 2.473 344 S HA 0.696 5.165 4.470 -0.000 0.000 0.307 344 S C 0.344 174.924 174.600 -0.033 0.000 1.094 344 S CA -0.904 57.281 58.200 -0.026 0.000 1.070 344 S CB 1.229 64.412 63.200 -0.029 0.000 1.019 344 S HN 0.887 nan 8.310 nan 0.000 0.480 345 S N 1.088 116.765 115.700 -0.038 0.000 2.617 345 S HA 0.448 4.918 4.470 -0.000 0.000 0.255 345 S C -0.108 174.449 174.600 -0.072 0.000 1.318 345 S CA -0.538 57.634 58.200 -0.047 0.000 0.978 345 S CB 0.219 63.392 63.200 -0.045 0.000 0.961 345 S HN 0.992 nan 8.310 nan 0.000 0.582 346 E N -0.674 119.474 120.200 -0.087 0.000 2.343 346 E HA 0.449 4.799 4.350 -0.000 0.000 0.288 346 E C -1.309 175.198 176.600 -0.154 0.000 0.907 346 E CA -0.986 55.343 56.400 -0.118 0.000 0.792 346 E CB 1.686 31.336 29.700 -0.084 0.000 1.275 346 E HN 0.757 nan 8.360 nan 0.000 0.402 347 V N 1.280 121.034 119.914 -0.266 0.000 2.532 347 V HA 1.010 5.130 4.120 -0.000 0.000 0.295 347 V C -0.137 175.798 176.094 -0.265 0.000 1.041 347 V CA -0.168 61.916 62.300 -0.359 0.000 0.926 347 V CB 1.132 32.362 31.823 -0.987 0.000 0.992 347 V HN 0.748 nan 8.190 nan 0.000 0.457 348 A N 2.802 125.525 122.820 -0.162 0.000 2.454 348 A HA 0.944 5.264 4.320 -0.000 0.000 0.302 348 A C -0.272 177.196 177.584 -0.193 0.000 1.079 348 A CA -0.567 51.383 52.037 -0.145 0.000 0.731 348 A CB 2.243 21.187 19.000 -0.093 0.000 1.299 348 A HN 1.142 nan 8.150 nan 0.000 0.413 349 T N 0.111 114.502 114.554 -0.272 0.000 2.853 349 T HA 0.603 4.952 4.350 -0.000 0.000 0.311 349 T C -1.635 172.890 174.700 -0.292 0.000 1.307 349 T CA -0.333 61.443 62.100 -0.540 0.000 1.019 349 T CB 1.361 69.537 68.868 -1.153 0.000 1.264 349 T HN 0.731 nan 8.240 nan 0.000 0.497 350 E N 0.580 120.673 120.200 -0.177 0.000 2.340 350 E HA 0.699 5.049 4.350 -0.000 0.000 0.273 350 E C -1.547 175.207 176.600 0.257 0.000 0.891 350 E CA -0.881 55.558 56.400 0.064 0.000 0.757 350 E CB 2.619 32.361 29.700 0.069 0.000 1.231 350 E HN 0.269 nan 8.360 nan 0.000 0.439 351 V N 2.965 123.028 119.914 0.247 0.000 2.525 351 V HA 0.440 4.560 4.120 -0.000 0.000 0.299 351 V C -2.339 173.910 176.094 0.257 0.000 1.034 351 V CA -1.755 60.709 62.300 0.273 0.000 0.863 351 V CB 1.833 33.815 31.823 0.264 0.000 0.999 351 V HN 0.591 nan 8.190 nan 0.000 0.423 352 P HA 0.542 nan 4.420 nan 0.000 0.282 352 P C -1.275 176.184 177.300 0.266 0.000 1.249 352 P CA -0.208 62.996 63.100 0.175 0.000 0.806 352 P CB 1.400 33.161 31.700 0.102 0.000 0.984 353 F N -0.284 119.720 119.950 0.090 0.000 2.662 353 F HA 0.653 5.180 4.527 -0.000 0.000 0.312 353 F C -0.855 175.002 175.800 0.096 0.000 1.113 353 F CA -1.416 56.637 58.000 0.088 0.000 0.951 353 F CB 1.374 40.419 39.000 0.075 0.000 1.344 353 F HN 0.071 nan 8.300 nan 0.000 0.462 354 R N 1.475 122.073 120.500 0.164 0.000 2.598 354 R HA 0.770 5.110 4.340 -0.000 0.000 0.279 354 R C -1.786 174.557 176.300 0.071 0.000 0.984 354 R CA -1.205 54.911 56.100 0.027 0.000 0.999 354 R CB 2.148 32.479 30.300 0.053 0.000 1.114 354 R HN 0.779 nan 8.270 nan 0.000 0.493 355 L N 3.984 125.151 121.223 -0.094 0.000 2.409 355 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 355 L C -0.794 175.946 176.870 -0.216 0.000 0.980 355 L CA -0.224 54.467 54.840 -0.249 0.000 0.826 355 L CB 1.655 43.295 42.059 -0.697 0.000 1.268 355 L HN 0.816 nan 8.230 nan 0.000 0.407 356 M N 1.187 120.688 119.600 -0.166 0.000 3.693 356 M HA 0.560 5.040 4.480 -0.000 0.000 0.313 356 M C -1.314 175.087 176.300 0.168 0.000 1.498 356 M CA -0.946 54.390 55.300 0.061 0.000 0.845 356 M CB 1.760 34.448 32.600 0.146 0.000 1.920 356 M HN 0.509 nan 8.290 nan 0.000 0.471 357 H N -0.089 119.112 119.070 0.219 0.000 2.488 357 H HA 0.559 5.115 4.556 -0.000 0.000 0.347 357 H C -2.504 172.897 175.328 0.122 0.000 1.174 357 H CA -0.908 55.188 56.048 0.081 0.000 1.307 357 H CB 0.541 29.984 29.762 -0.531 0.000 1.517 357 H HN 0.317 nan 8.280 nan 0.000 0.554 358 P HA -0.065 nan 4.420 nan 0.000 0.270 358 P C -0.425 176.850 177.300 -0.042 0.000 1.221 358 P CA 0.040 62.837 63.100 -0.506 0.000 0.788 358 P CB 0.512 31.965 31.700 -0.412 0.000 0.904 359 Q N 1.610 121.314 119.800 -0.160 0.000 2.479 359 Q HA 0.078 4.418 4.340 -0.000 0.000 0.267 359 Q C -1.928 174.020 176.000 -0.088 0.000 1.071 359 Q CA -1.114 54.669 55.803 -0.034 0.000 0.935 359 Q CB -0.985 27.718 28.738 -0.058 0.000 1.295 359 Q HN 0.381 nan 8.270 nan 0.000 0.476 360 P HA 0.027 nan 4.420 nan 0.000 0.286 360 P C -0.967 176.207 177.300 -0.210 0.000 1.293 360 P CA -0.299 62.632 63.100 -0.281 0.000 0.770 360 P CB 0.492 31.937 31.700 -0.425 0.000 1.206 361 E N 0.334 120.416 120.200 -0.196 0.000 2.167 361 E HA 0.107 4.457 4.350 -0.000 0.000 0.284 361 E C -0.728 175.797 176.600 -0.126 0.000 1.016 361 E CA -0.445 55.871 56.400 -0.140 0.000 0.817 361 E CB -0.054 29.575 29.700 -0.117 0.000 1.080 361 E HN 0.415 nan 8.360 nan 0.000 0.397 362 D N 5.062 125.400 120.400 -0.102 0.000 5.247 362 D HA -0.168 4.472 4.640 -0.000 0.000 0.184 362 D C -1.746 174.509 176.300 -0.075 0.000 1.197 362 D CA -0.381 53.569 54.000 -0.082 0.000 0.747 362 D CB -0.131 40.632 40.800 -0.061 0.000 1.304 362 D HN 0.292 nan 8.370 nan 0.000 0.732 363 P HA -0.135 nan 4.420 nan 0.000 0.216 363 P C 0.722 178.000 177.300 -0.037 0.000 1.157 363 P CA 2.156 65.223 63.100 -0.055 0.000 0.880 363 P CB -0.211 31.462 31.700 -0.045 0.000 0.791 373 E N -2.628 117.370 120.200 -0.337 0.000 2.360 373 E HA 0.713 5.063 4.350 -0.000 0.000 0.273 373 E C -0.627 175.756 176.600 -0.362 0.000 1.225 373 E CA 0.063 56.294 56.400 -0.280 0.000 0.923 373 E CB -0.533 29.072 29.700 -0.159 0.000 1.337 373 E HN 2.098 nan 8.360 nan 0.000 0.405 374 N N 1.307 119.910 118.700 -0.163 0.000 3.083 374 N HA 0.554 5.294 4.740 -0.000 0.000 0.260 374 N C -0.244 175.287 175.510 0.035 0.000 1.163 374 N CA -0.553 52.443 53.050 -0.090 0.000 1.060 374 N CB -0.380 38.093 38.487 -0.024 0.000 1.345 374 N HN 0.585 nan 8.380 nan 0.000 0.515 375 F N 0.284 120.235 119.950 0.003 0.000 2.623 375 F HA 0.139 4.665 4.527 -0.000 0.000 0.383 375 F C 0.788 176.515 175.800 -0.121 0.000 1.077 375 F CA -0.583 57.317 58.000 -0.166 0.000 1.268 375 F CB 0.529 39.360 39.000 -0.281 0.000 1.053 375 F HN 0.238 nan 8.300 nan 0.000 0.571 376 V N 5.925 125.805 119.914 -0.058 0.000 2.305 376 V HA 0.228 4.348 4.120 -0.000 0.000 0.275 376 V C -0.225 175.779 176.094 -0.151 0.000 1.020 376 V CA -0.928 61.374 62.300 0.003 0.000 0.811 376 V CB -0.087 31.727 31.823 -0.015 0.000 1.031 376 V HN 0.372 nan 8.190 nan 0.000 0.439 377 F N 2.467 122.402 119.950 -0.025 0.000 2.563 377 F HA 0.435 4.962 4.527 -0.000 0.000 0.363 377 F C 0.728 176.483 175.800 -0.076 0.000 1.123 377 F CA 0.219 58.194 58.000 -0.043 0.000 1.307 377 F CB 0.414 39.459 39.000 0.075 0.000 1.115 377 F HN 0.523 nan 8.300 nan 0.000 0.592 378 E N 0.772 120.978 120.200 0.010 0.000 2.413 378 E HA 0.217 4.567 4.350 -0.000 0.000 0.277 378 E C -1.296 175.374 176.600 0.117 0.000 0.958 378 E CA -0.883 55.522 56.400 0.008 0.000 0.779 378 E CB 1.415 31.037 29.700 -0.130 0.000 1.278 378 E HN 0.407 nan 8.360 nan 0.000 0.456 379 E N 2.068 122.352 120.200 0.139 0.000 2.392 379 E HA 0.015 4.365 4.350 -0.000 0.000 0.264 379 E C 0.280 177.043 176.600 0.272 0.000 1.024 379 E CA 0.175 56.682 56.400 0.177 0.000 0.903 379 E CB 0.478 30.247 29.700 0.115 0.000 0.963 379 E HN 0.513 nan 8.360 nan 0.000 0.432 380 F N 2.488 122.528 119.950 0.150 0.000 2.146 380 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 380 F C 1.111 176.916 175.800 0.008 0.000 1.096 380 F CA 1.030 59.096 58.000 0.111 0.000 1.275 380 F CB -0.053 38.982 39.000 0.057 0.000 1.008 380 F HN 0.526 nan 8.300 nan 0.000 0.480 381 A N 2.059 124.972 122.820 0.155 0.000 2.591 381 A HA -0.006 4.314 4.320 -0.000 0.000 0.244 381 A C 0.313 177.800 177.584 -0.162 0.000 1.031 381 A CA 0.015 52.068 52.037 0.026 0.000 0.767 381 A CB -0.287 18.749 19.000 0.059 0.000 0.942 381 A HN 0.493 nan 8.150 nan 0.000 0.514 382 R N 1.710 122.008 120.500 -0.336 0.000 2.490 382 R HA 0.295 4.635 4.340 -0.000 0.000 0.278 382 R C 0.385 176.446 176.300 -0.398 0.000 1.069 382 R CA -0.346 55.473 56.100 -0.468 0.000 1.080 382 R CB 0.683 30.551 30.300 -0.721 0.000 1.030 382 R HN 0.903 nan 8.270 nan 0.000 0.491 383 Q N 1.794 121.450 119.800 -0.240 0.000 2.373 383 Q HA 0.113 4.453 4.340 -0.000 0.000 0.255 383 Q C -0.766 175.176 176.000 -0.097 0.000 0.980 383 Q CA -0.151 55.578 55.803 -0.123 0.000 0.882 383 Q CB 0.637 29.338 28.738 -0.062 0.000 1.249 383 Q HN 0.486 nan 8.270 nan 0.000 0.438 384 N N 1.642 120.345 118.700 0.005 0.000 2.515 384 N HA 0.223 4.963 4.740 -0.000 0.000 0.279 384 N C -0.618 174.931 175.510 0.064 0.000 1.164 384 N CA -0.818 52.286 53.050 0.090 0.000 0.982 384 N CB 0.827 39.390 38.487 0.126 0.000 1.170 384 N HN 0.456 nan 8.380 nan 0.000 0.474 385 L N 2.055 123.324 121.223 0.076 0.000 2.439 385 L HA 0.049 4.389 4.340 -0.000 0.000 0.269 385 L C 0.926 177.837 176.870 0.069 0.000 1.179 385 L CA 0.393 55.269 54.840 0.060 0.000 0.828 385 L CB 1.035 43.129 42.059 0.058 0.000 1.106 385 L HN 0.618 nan 8.230 nan 0.000 0.467 386 K N 1.632 122.064 120.400 0.055 0.000 2.137 386 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 386 K C 0.142 176.778 176.600 0.059 0.000 1.052 386 K CA 0.727 57.046 56.287 0.054 0.000 0.961 386 K CB -0.038 32.486 32.500 0.039 0.000 0.741 386 K HN 0.459 nan 8.250 nan 0.000 0.452 387 D N 0.399 120.833 120.400 0.057 0.000 2.517 387 D HA 0.296 4.936 4.640 -0.000 0.000 0.301 387 D C -1.177 175.167 176.300 0.074 0.000 1.202 387 D CA -0.440 53.594 54.000 0.058 0.000 0.910 387 D CB 0.418 41.242 40.800 0.041 0.000 1.021 387 D HN 0.204 nan 8.370 nan 0.000 0.499 388 A N 2.450 125.337 122.820 0.112 0.000 3.126 388 A HA 0.622 4.942 4.320 -0.000 0.000 0.268 388 A C 1.462 179.155 177.584 0.181 0.000 1.605 388 A CA 0.038 52.159 52.037 0.140 0.000 1.305 388 A CB -0.721 18.377 19.000 0.162 0.000 1.160 388 A HN 0.647 nan 8.150 nan 0.000 0.609 389 G N 0.844 109.709 108.800 0.109 0.000 2.561 389 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.451 389 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.451 389 G C 0.086 175.040 174.900 0.089 0.000 1.381 389 G CA 0.651 45.804 45.100 0.089 0.000 0.942 389 G HN 0.650 nan 8.290 nan 0.000 0.518 390 E N -0.143 120.104 120.200 0.078 0.000 2.221 390 E HA 0.645 4.995 4.350 -0.000 0.000 0.268 390 E C -0.747 175.921 176.600 0.113 0.000 0.933 390 E CA -0.173 56.227 56.400 0.001 0.000 0.809 390 E CB 2.045 31.736 29.700 -0.016 0.000 1.190 390 E HN 0.774 nan 8.360 nan 0.000 0.406 391 Y N -2.041 118.250 120.300 -0.016 0.000 2.687 391 Y HA 0.392 4.942 4.550 -0.000 0.000 0.338 391 Y C -1.154 174.730 175.900 -0.027 0.000 1.189 391 Y CA -1.189 56.896 58.100 -0.026 0.000 1.097 391 Y CB 0.528 38.966 38.460 -0.037 0.000 1.342 391 Y HN 0.162 nan 8.280 nan 0.000 0.461 392 K N 1.840 122.364 120.400 0.206 0.000 2.118 392 K HA 0.317 4.637 4.320 -0.000 0.000 0.264 392 K C -0.329 176.396 176.600 0.208 0.000 1.000 392 K CA -0.814 55.540 56.287 0.112 0.000 0.929 392 K CB 0.862 33.393 32.500 0.052 0.000 1.021 392 K HN 0.593 nan 8.250 nan 0.000 0.463 393 E N 0.000 120.266 120.200 0.110 0.000 2.725 393 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 393 E CA 0.000 56.471 56.400 0.118 0.000 0.976 393 E CB 0.000 29.745 29.700 0.076 0.000 0.812 393 E HN 0.000 nan 8.360 nan 0.000 0.440