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 1hr9_1_D DATA FIRST_RESID 22 DATA SEQUENCE QIPGTRTSKL PNGLTIATEY IPNTSSATVG IFVDAGSRAE NVKNNGTAHF DATA SEQUENCE LQHLAFKGTQ NRPQQGIELE IENIGSHLNA YTSRENTVYY AKSLQEDIPK DATA SEQUENCE AVDILSDILT KSVLDNSAIE RERDVIIRES EEVDKMYDEV VFDHLHEITY DATA SEQUENCE KDQPLGRTIL GPIKNIKSIT RTDLKDYITK NYKGDRMVLA GAGAVDHEKL DATA SEQUENCE VQYAQKYFGH VPKSESPVPL GSPRGPLPVF CRGERFIKEN TLPTTHIAIA DATA SEQUENCE LEGVSWSAPD YFVALATQAI VGNWDRAIGT GTNSPSPLAV AASQNGSLAN DATA SEQUENCE SYMSFSTSYA DSGLWGMYIV TDSNEHNVRL IVNEILKEWK RIKSGKISDA DATA SEQUENCE EVNRAKAQLK AALLLSLDGS TAIVEDIGRQ VVTTGKRLSP EEVFEQVDKI DATA SEQUENCE TKDDIIMWAN YRLQNKPVSM VALGNTSTVP NVSYIEEKLN Q 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 22 Q HA 0.000 nan 4.340 nan 0.000 0.214 22 Q C 0.000 176.011 176.000 0.019 0.000 1.003 22 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 22 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 23 I N -0.206 120.370 120.570 0.010 0.000 2.379 23 I HA 0.462 4.632 4.170 -0.000 0.000 0.290 23 I C -1.697 174.435 176.117 0.025 0.000 1.063 23 I CA -1.801 59.508 61.300 0.015 0.000 1.351 23 I CB 0.044 38.041 38.000 -0.005 0.000 1.410 23 I HN 0.248 nan 8.210 nan 0.000 0.505 24 P HA 0.035 nan 4.420 nan 0.000 0.259 24 P C 0.308 177.631 177.300 0.038 0.000 1.155 24 P CA 0.375 63.518 63.100 0.072 0.000 0.759 24 P CB 0.372 32.145 31.700 0.121 0.000 0.753 25 G N 1.534 110.350 108.800 0.027 0.000 2.552 25 G HA2 0.511 4.471 3.960 -0.000 0.000 0.318 25 G HA3 0.511 4.471 3.960 -0.000 0.000 0.318 25 G C -0.877 174.025 174.900 0.004 0.000 1.240 25 G CA -0.568 44.536 45.100 0.006 0.000 1.002 25 G HN 0.375 nan 8.290 nan 0.000 0.493 26 T N 1.965 116.512 114.554 -0.012 0.000 2.738 26 T HA 0.339 4.689 4.350 -0.000 0.000 0.298 26 T C 0.277 174.942 174.700 -0.057 0.000 0.962 26 T CA -0.448 61.642 62.100 -0.016 0.000 0.972 26 T CB 0.447 69.304 68.868 -0.018 0.000 0.928 26 T HN 0.336 nan 8.240 nan 0.000 0.474 27 R N 2.546 122.982 120.500 -0.107 0.000 2.490 27 R HA 0.508 4.848 4.340 -0.000 0.000 0.280 27 R C -0.109 176.055 176.300 -0.225 0.000 1.077 27 R CA -0.396 55.515 56.100 -0.315 0.000 1.065 27 R CB 0.474 30.338 30.300 -0.727 0.000 1.003 27 R HN 0.430 nan 8.270 nan 0.000 0.470 28 T N 0.723 115.171 114.554 -0.176 0.000 2.893 28 T HA 0.450 4.800 4.350 -0.000 0.000 0.293 28 T C -0.776 173.980 174.700 0.093 0.000 1.027 28 T CA -0.457 61.660 62.100 0.030 0.000 0.988 28 T CB 1.882 70.752 68.868 0.004 0.000 1.043 28 T HN 0.495 nan 8.240 nan 0.000 0.461 29 S N 1.745 117.555 115.700 0.184 0.000 2.541 29 S HA 0.575 5.045 4.470 -0.000 0.000 0.271 29 S C -1.127 173.518 174.600 0.075 0.000 1.133 29 S CA -0.916 57.375 58.200 0.152 0.000 0.876 29 S CB 2.182 65.530 63.200 0.246 0.000 1.105 29 S HN 0.549 nan 8.310 nan 0.000 0.470 30 K N 1.097 121.526 120.400 0.048 0.000 2.259 30 K HA 0.639 4.959 4.320 -0.000 0.000 0.249 30 K C -1.392 175.224 176.600 0.027 0.000 0.942 30 K CA -0.759 55.545 56.287 0.028 0.000 0.816 30 K CB 1.205 33.717 32.500 0.021 0.000 1.155 30 K HN 0.310 nan 8.250 nan 0.000 0.428 31 L N 3.879 125.116 121.223 0.023 0.000 2.375 31 L HA 0.371 4.711 4.340 -0.000 0.000 0.268 31 L C -1.461 175.425 176.870 0.027 0.000 1.058 31 L CA -1.941 52.916 54.840 0.029 0.000 0.803 31 L CB 0.964 43.048 42.059 0.042 0.000 1.212 31 L HN 0.569 nan 8.230 nan 0.000 0.451 32 P HA -0.160 nan 4.420 nan 0.000 0.218 32 P C 0.299 177.613 177.300 0.024 0.000 1.146 32 P CA 1.268 64.382 63.100 0.023 0.000 0.813 32 P CB -0.014 31.698 31.700 0.021 0.000 0.778 33 N N -1.108 117.610 118.700 0.031 0.000 2.383 33 N HA 0.061 4.801 4.740 -0.000 0.000 0.192 33 N C 1.397 176.923 175.510 0.025 0.000 1.141 33 N CA 0.795 53.862 53.050 0.029 0.000 0.851 33 N CB -0.531 37.979 38.487 0.038 0.000 0.976 33 N HN 0.266 nan 8.380 nan 0.000 0.465 34 G N -0.053 108.760 108.800 0.022 0.000 2.254 34 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.225 34 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.225 34 G C -0.196 174.710 174.900 0.009 0.000 1.003 34 G CA 0.039 45.149 45.100 0.015 0.000 0.622 34 G HN 0.419 nan 8.290 nan 0.000 0.507 35 L N 3.273 124.502 121.223 0.011 0.000 2.601 35 L HA 0.490 4.830 4.340 -0.000 0.000 0.277 35 L C 0.523 177.381 176.870 -0.020 0.000 1.219 35 L CA 1.059 55.891 54.840 -0.014 0.000 0.915 35 L CB 0.366 42.415 42.059 -0.016 0.000 1.160 35 L HN 0.228 nan 8.230 nan 0.000 0.494 36 T N 6.673 121.206 114.554 -0.035 0.000 2.795 36 T HA 0.509 4.859 4.350 -0.000 0.000 0.282 36 T C -0.086 174.593 174.700 -0.035 0.000 0.980 36 T CA -0.379 61.707 62.100 -0.023 0.000 1.012 36 T CB 0.935 69.789 68.868 -0.023 0.000 0.936 36 T HN 0.319 nan 8.240 nan 0.000 0.457 37 I N 3.043 123.610 120.570 -0.005 0.000 2.371 37 I HA 0.499 4.669 4.170 -0.000 0.000 0.282 37 I C 0.212 176.379 176.117 0.084 0.000 1.031 37 I CA -1.093 60.200 61.300 -0.011 0.000 1.180 37 I CB 0.165 38.121 38.000 -0.073 0.000 1.336 37 I HN 0.675 nan 8.210 nan 0.000 0.467 38 A N 4.770 127.621 122.820 0.051 0.000 2.273 38 A HA 0.752 5.072 4.320 -0.000 0.000 0.315 38 A C 0.011 177.651 177.584 0.094 0.000 1.256 38 A CA -0.376 51.709 52.037 0.080 0.000 0.851 38 A CB 1.009 20.000 19.000 -0.015 0.000 1.172 38 A HN 0.589 nan 8.150 nan 0.000 0.508 39 T N 1.288 115.958 114.554 0.192 0.000 2.908 39 T HA 0.572 4.922 4.350 -0.000 0.000 0.290 39 T C -1.015 173.761 174.700 0.128 0.000 1.034 39 T CA -0.391 61.825 62.100 0.194 0.000 1.010 39 T CB 1.286 70.379 68.868 0.375 0.000 1.068 39 T HN 0.681 nan 8.240 nan 0.000 0.481 40 E N 2.229 122.497 120.200 0.112 0.000 2.343 40 E HA 0.189 4.538 4.350 -0.000 0.000 0.260 40 E C -1.662 175.011 176.600 0.122 0.000 0.908 40 E CA -0.546 55.910 56.400 0.093 0.000 0.814 40 E CB 1.141 30.865 29.700 0.040 0.000 1.302 40 E HN 0.650 nan 8.360 nan 0.000 0.408 41 Y N 5.060 125.381 120.300 0.035 0.000 2.411 41 Y HA 0.209 4.759 4.550 -0.000 0.000 0.333 41 Y C -0.559 175.355 175.900 0.023 0.000 1.186 41 Y CA 0.046 58.167 58.100 0.035 0.000 1.381 41 Y CB 0.515 38.996 38.460 0.035 0.000 1.273 41 Y HN 0.371 nan 8.280 nan 0.000 0.546 42 I N 8.268 128.381 120.570 -0.762 0.000 2.411 42 I HA 0.286 4.456 4.170 -0.000 0.000 0.284 42 I C -2.495 173.095 176.117 -0.878 0.000 1.012 42 I CA -2.628 58.335 61.300 -0.561 0.000 1.119 42 I CB 1.291 39.117 38.000 -0.289 0.000 1.261 42 I HN 0.536 nan 8.210 nan 0.000 0.448 43 P HA 0.152 nan 4.420 nan 0.000 0.269 43 P C -0.303 176.909 177.300 -0.147 0.000 1.209 43 P CA 0.073 63.028 63.100 -0.243 0.000 0.776 43 P CB 0.255 31.975 31.700 0.034 0.000 0.876 44 N N -0.883 117.789 118.700 -0.047 0.000 2.726 44 N HA -0.107 4.633 4.740 -0.000 0.000 0.253 44 N C -0.751 174.728 175.510 -0.051 0.000 1.059 44 N CA 0.537 53.573 53.050 -0.024 0.000 0.701 44 N CB -1.258 37.220 38.487 -0.015 0.000 0.899 44 N HN 0.641 nan 8.380 nan 0.000 0.548 45 T N -3.982 110.537 114.554 -0.058 0.000 2.868 45 T HA 0.632 4.982 4.350 -0.000 0.000 0.306 45 T C 0.149 174.842 174.700 -0.012 0.000 1.224 45 T CA -0.704 61.364 62.100 -0.052 0.000 1.012 45 T CB 2.221 71.026 68.868 -0.105 0.000 1.221 45 T HN -0.068 nan 8.240 nan 0.000 0.499 46 S N 0.389 116.090 115.700 0.001 0.000 3.009 46 S HA 0.461 4.931 4.470 -0.000 0.000 0.254 46 S C 0.102 174.714 174.600 0.020 0.000 1.004 46 S CA -0.265 57.946 58.200 0.019 0.000 1.119 46 S CB 0.080 63.292 63.200 0.020 0.000 1.075 46 S HN 1.117 nan 8.310 nan 0.000 0.618 47 S N 0.661 116.370 115.700 0.015 0.000 2.685 47 S HA 1.001 5.471 4.470 -0.000 0.000 0.282 47 S C -0.687 173.928 174.600 0.024 0.000 1.159 47 S CA -0.602 57.612 58.200 0.025 0.000 0.833 47 S CB 1.922 65.142 63.200 0.032 0.000 1.151 47 S HN 0.581 nan 8.310 nan 0.000 0.485 48 A N 0.068 122.911 122.820 0.039 0.000 2.536 48 A HA 0.855 5.175 4.320 -0.000 0.000 0.293 48 A C -1.146 176.480 177.584 0.070 0.000 1.119 48 A CA -0.793 51.270 52.037 0.044 0.000 0.654 48 A CB 1.046 20.073 19.000 0.045 0.000 1.291 48 A HN 0.938 nan 8.150 nan 0.000 0.439 49 T N 0.442 115.044 114.554 0.079 0.000 2.881 49 T HA 0.620 4.970 4.350 -0.000 0.000 0.290 49 T C -1.218 173.555 174.700 0.122 0.000 1.000 49 T CA -0.340 61.832 62.100 0.120 0.000 0.978 49 T CB 1.427 70.365 68.868 0.115 0.000 0.997 49 T HN 0.909 nan 8.240 nan 0.000 0.443 50 V N 1.942 121.946 119.914 0.151 0.000 2.588 50 V HA 0.924 5.044 4.120 -0.000 0.000 0.304 50 V C 0.273 176.491 176.094 0.206 0.000 1.042 50 V CA -0.637 61.749 62.300 0.144 0.000 0.877 50 V CB 2.046 33.926 31.823 0.095 0.000 0.996 50 V HN 1.082 nan 8.190 nan 0.000 0.425 51 G N 2.976 111.917 108.800 0.235 0.000 2.682 51 G HA2 0.666 4.626 3.960 -0.000 0.000 0.300 51 G HA3 0.666 4.626 3.960 -0.000 0.000 0.300 51 G C -1.880 173.156 174.900 0.227 0.000 1.391 51 G CA -0.632 44.618 45.100 0.252 0.000 0.990 51 G HN 0.573 nan 8.290 nan 0.000 0.501 52 I N 1.341 121.951 120.570 0.065 0.000 2.312 52 I HA 0.672 4.842 4.170 -0.000 0.000 0.290 52 I C -1.427 174.661 176.117 -0.049 0.000 1.008 52 I CA -1.565 59.750 61.300 0.026 0.000 1.226 52 I CB 0.334 38.330 38.000 -0.006 0.000 1.371 52 I HN 0.215 nan 8.210 nan 0.000 0.468 53 F N 6.636 126.553 119.950 -0.056 0.000 2.427 53 F HA 0.578 5.105 4.527 -0.000 0.000 0.346 53 F C -0.094 175.677 175.800 -0.048 0.000 1.120 53 F CA -0.731 57.244 58.000 -0.043 0.000 1.033 53 F CB 1.583 40.556 39.000 -0.044 0.000 1.126 53 F HN 0.049 nan 8.300 nan 0.000 0.462 54 V N 2.040 122.007 119.914 0.087 0.000 2.495 54 V HA 0.193 4.313 4.120 -0.000 0.000 0.298 54 V C -0.414 175.748 176.094 0.112 0.000 1.031 54 V CA -0.942 61.391 62.300 0.055 0.000 0.871 54 V CB 1.915 33.710 31.823 -0.047 0.000 0.988 54 V HN 0.632 nan 8.190 nan 0.000 0.432 55 D N 3.603 124.065 120.400 0.103 0.000 2.600 55 D HA 0.477 5.117 4.640 -0.000 0.000 0.226 55 D C 0.412 176.786 176.300 0.124 0.000 1.119 55 D CA 0.652 54.719 54.000 0.112 0.000 1.051 55 D CB 0.466 41.315 40.800 0.081 0.000 1.106 55 D HN 0.643 nan 8.370 nan 0.000 0.491 56 A N 1.598 124.524 122.820 0.176 0.000 2.185 56 A HA 0.834 5.154 4.320 -0.000 0.000 0.208 56 A C 1.294 179.035 177.584 0.262 0.000 2.237 56 A CA 0.373 52.545 52.037 0.225 0.000 1.587 56 A CB -0.413 18.833 19.000 0.411 0.000 1.091 56 A HN 0.917 nan 8.150 nan 0.000 0.449 57 G N -0.953 108.057 108.800 0.350 0.000 2.698 57 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.233 57 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.233 57 G C 0.838 175.903 174.900 0.275 0.000 1.352 57 G CA 0.916 46.178 45.100 0.270 0.000 0.879 57 G HN 1.902 nan 8.290 nan 0.000 0.567 58 S N -0.517 115.285 115.700 0.170 0.000 2.527 58 S HA -0.020 4.450 4.470 -0.000 0.000 0.222 58 S C 1.987 176.648 174.600 0.102 0.000 0.985 58 S CA 1.198 59.480 58.200 0.136 0.000 0.921 58 S CB -0.080 63.165 63.200 0.074 0.000 0.772 58 S HN 1.223 nan 8.310 nan 0.000 0.529 59 R N 1.013 121.556 120.500 0.071 0.000 2.307 59 R HA 0.340 4.680 4.340 -0.000 0.000 0.199 59 R C 1.372 177.696 176.300 0.040 0.000 1.000 59 R CA 0.820 56.928 56.100 0.013 0.000 1.023 59 R CB -0.370 29.899 30.300 -0.051 0.000 0.908 59 R HN 0.380 nan 8.270 nan 0.000 0.473 60 A N 0.771 123.649 122.820 0.098 0.000 2.500 60 A HA 0.206 4.526 4.320 -0.000 0.000 0.267 60 A C -0.369 177.276 177.584 0.101 0.000 1.290 60 A CA -0.540 51.534 52.037 0.062 0.000 0.928 60 A CB 0.068 19.075 19.000 0.011 0.000 1.066 60 A HN 0.429 nan 8.150 nan 0.000 0.516 61 E N -0.038 120.248 120.200 0.145 0.000 2.405 61 E HA 0.456 4.806 4.350 -0.000 0.000 0.249 61 E C -0.614 176.032 176.600 0.078 0.000 1.028 61 E CA -0.863 55.630 56.400 0.154 0.000 0.897 61 E CB 0.743 30.544 29.700 0.169 0.000 1.262 61 E HN 0.569 nan 8.360 nan 0.000 0.442 62 N N -2.037 116.702 118.700 0.066 0.000 3.201 62 N HA 0.211 4.951 4.740 -0.000 0.000 0.344 62 N C 0.339 175.872 175.510 0.038 0.000 1.465 62 N CA -0.706 52.369 53.050 0.041 0.000 0.731 62 N CB 0.175 38.681 38.487 0.032 0.000 1.677 62 N HN 0.151 nan 8.380 nan 0.000 0.631 63 V N -0.264 119.667 119.914 0.029 0.000 2.343 63 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 63 V C 1.774 177.883 176.094 0.025 0.000 1.051 63 V CA 1.552 63.868 62.300 0.026 0.000 1.036 63 V CB -0.682 31.154 31.823 0.022 0.000 0.654 63 V HN 0.591 nan 8.190 nan 0.000 0.451 64 K N -0.178 120.236 120.400 0.022 0.000 2.305 64 K HA 0.017 4.337 4.320 -0.000 0.000 0.199 64 K C 1.825 178.437 176.600 0.020 0.000 1.047 64 K CA 0.615 56.913 56.287 0.018 0.000 0.976 64 K CB -0.556 31.951 32.500 0.012 0.000 0.765 64 K HN 0.564 nan 8.250 nan 0.000 0.474 65 N N 1.431 120.149 118.700 0.031 0.000 2.207 65 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 65 N C 0.386 175.924 175.510 0.046 0.000 1.020 65 N CA -0.046 53.030 53.050 0.043 0.000 0.858 65 N CB 0.063 38.593 38.487 0.072 0.000 0.991 65 N HN 0.207 nan 8.380 nan 0.000 0.427 66 N N -0.265 118.465 118.700 0.050 0.000 1.923 66 N HA -0.200 4.540 4.740 -0.000 0.000 0.305 66 N C 0.458 175.998 175.510 0.050 0.000 1.339 66 N CA 0.780 53.860 53.050 0.050 0.000 0.825 66 N CB -0.053 38.457 38.487 0.038 0.000 1.095 66 N HN 0.544 nan 8.380 nan 0.000 0.498 67 G N 1.798 110.631 108.800 0.056 0.000 2.255 67 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.196 67 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.196 67 G C 0.931 175.881 174.900 0.083 0.000 0.998 67 G CA 0.268 45.419 45.100 0.085 0.000 0.656 67 G HN 0.574 nan 8.290 nan 0.000 0.490 68 T N 1.727 116.279 114.554 -0.004 0.000 2.569 68 T HA 0.101 4.451 4.350 -0.000 0.000 0.263 68 T C 2.803 177.359 174.700 -0.241 0.000 1.074 68 T CA 2.964 64.993 62.100 -0.118 0.000 1.176 68 T CB -0.753 68.012 68.868 -0.171 0.000 0.863 68 T HN 1.284 nan 8.240 nan 0.000 0.410 69 A N 1.435 123.949 122.820 -0.511 0.000 1.929 69 A HA -0.321 3.999 4.320 -0.000 0.000 0.221 69 A C 2.129 179.678 177.584 -0.059 0.000 1.211 69 A CA 2.568 54.303 52.037 -0.505 0.000 0.657 69 A CB -1.288 17.572 19.000 -0.233 0.000 0.827 69 A HN 0.821 nan 8.150 nan 0.000 0.462 70 H N -2.706 116.320 119.070 -0.073 0.000 2.299 70 H HA -0.152 4.404 4.556 -0.000 0.000 0.302 70 H C 2.045 177.345 175.328 -0.046 0.000 1.078 70 H CA 1.739 57.758 56.048 -0.048 0.000 1.323 70 H CB -0.280 29.429 29.762 -0.089 0.000 1.381 70 H HN 0.436 nan 8.280 nan 0.000 0.498 71 F N 1.528 121.234 119.950 -0.405 0.000 2.043 71 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 71 F C 2.793 178.481 175.800 -0.188 0.000 1.121 71 F CA 1.506 59.263 58.000 -0.405 0.000 1.199 71 F CB -0.940 37.921 39.000 -0.232 0.000 0.968 71 F HN 0.156 nan 8.300 nan 0.000 0.478 72 L N 0.068 121.396 121.223 0.175 0.000 2.010 72 L HA -0.367 3.973 4.340 -0.000 0.000 0.219 72 L C 2.677 179.707 176.870 0.266 0.000 1.077 72 L CA 2.181 57.118 54.840 0.162 0.000 0.773 72 L CB -0.712 41.375 42.059 0.047 0.000 0.892 72 L HN 0.331 nan 8.230 nan 0.000 0.436 73 Q N -0.922 119.038 119.800 0.266 0.000 2.152 73 Q HA -0.287 4.053 4.340 -0.000 0.000 0.206 73 Q C 2.011 178.249 176.000 0.396 0.000 0.985 73 Q CA 2.049 58.075 55.803 0.373 0.000 0.863 73 Q CB -0.230 28.623 28.738 0.193 0.000 0.904 73 Q HN 0.696 nan 8.270 nan 0.000 0.422 74 H N -0.913 118.175 119.070 0.030 0.000 2.363 74 H HA -0.101 4.455 4.556 -0.000 0.000 0.301 74 H C 2.014 177.424 175.328 0.137 0.000 1.074 74 H CA 0.845 56.873 56.048 -0.033 0.000 1.354 74 H CB 0.437 30.042 29.762 -0.261 0.000 1.397 74 H HN 0.191 nan 8.280 nan 0.000 0.516 75 L N 0.656 122.065 121.223 0.310 0.000 2.141 75 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 75 L C 2.681 179.700 176.870 0.247 0.000 1.094 75 L CA 1.243 56.240 54.840 0.262 0.000 0.763 75 L CB -0.934 41.275 42.059 0.251 0.000 0.908 75 L HN 0.190 nan 8.230 nan 0.000 0.437 76 A N -1.507 121.495 122.820 0.303 0.000 2.139 76 A HA -0.206 4.114 4.320 -0.000 0.000 0.221 76 A C 1.830 179.455 177.584 0.069 0.000 1.159 76 A CA 1.403 53.547 52.037 0.178 0.000 0.662 76 A CB -0.862 18.265 19.000 0.212 0.000 0.796 76 A HN 0.375 nan 8.150 nan 0.000 0.463 77 F N -0.694 119.305 119.950 0.081 0.000 2.765 77 F HA 0.159 4.686 4.527 -0.000 0.000 0.302 77 F C 1.560 177.369 175.800 0.014 0.000 1.111 77 F CA 0.458 58.479 58.000 0.034 0.000 1.359 77 F CB 0.521 39.523 39.000 0.003 0.000 1.097 77 F HN -0.001 nan 8.300 nan 0.000 0.577 78 K N 0.221 120.720 120.400 0.165 0.000 2.404 78 K HA 0.422 4.742 4.320 -0.000 0.000 0.194 78 K C 0.751 177.383 176.600 0.052 0.000 1.023 78 K CA 0.521 56.870 56.287 0.103 0.000 1.094 78 K CB 0.132 32.695 32.500 0.105 0.000 0.841 78 K HN 0.220 nan 8.250 nan 0.000 0.523 79 G N 0.825 109.640 108.800 0.024 0.000 2.316 79 G HA2 0.020 3.980 3.960 -0.000 0.000 0.468 79 G HA3 0.020 3.980 3.960 -0.000 0.000 0.468 79 G C -0.723 174.168 174.900 -0.016 0.000 1.523 79 G CA -0.505 44.593 45.100 -0.002 0.000 0.972 79 G HN 0.067 nan 8.290 nan 0.000 0.667 80 T N -1.776 112.760 114.554 -0.031 0.000 2.887 80 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 80 T C 0.951 175.633 174.700 -0.029 0.000 1.087 80 T CA -0.337 61.741 62.100 -0.036 0.000 1.009 80 T CB 1.954 70.784 68.868 -0.063 0.000 1.203 80 T HN 0.564 nan 8.240 nan 0.000 0.518 81 Q N 0.183 119.966 119.800 -0.027 0.000 2.576 81 Q HA -0.003 4.337 4.340 -0.000 0.000 0.218 81 Q C 1.126 177.109 176.000 -0.029 0.000 0.983 81 Q CA 1.039 56.828 55.803 -0.023 0.000 0.920 81 Q CB -0.123 28.602 28.738 -0.021 0.000 0.973 81 Q HN 0.509 nan 8.270 nan 0.000 0.528 82 N N -0.781 117.897 118.700 -0.036 0.000 2.272 82 N HA 0.116 4.856 4.740 -0.000 0.000 0.228 82 N C -0.322 175.166 175.510 -0.036 0.000 1.206 82 N CA 0.187 53.215 53.050 -0.037 0.000 0.855 82 N CB 0.988 39.449 38.487 -0.044 0.000 1.248 82 N HN 0.013 nan 8.380 nan 0.000 0.476 83 R N 1.657 122.131 120.500 -0.042 0.000 2.513 83 R HA 0.425 4.765 4.340 -0.000 0.000 0.301 83 R C -2.684 173.596 176.300 -0.033 0.000 0.968 83 R CA -1.460 54.615 56.100 -0.041 0.000 0.872 83 R CB 2.561 32.827 30.300 -0.058 0.000 1.177 83 R HN -0.010 nan 8.270 nan 0.000 0.444 84 P HA -0.022 nan 4.420 nan 0.000 0.276 84 P C -0.022 177.272 177.300 -0.010 0.000 1.244 84 P CA -0.271 62.821 63.100 -0.013 0.000 0.801 84 P CB 1.163 32.858 31.700 -0.009 0.000 1.006 85 Q N 1.301 121.103 119.800 0.003 0.000 1.978 85 Q HA -0.289 4.051 4.340 -0.000 0.000 0.211 85 Q C 1.896 177.904 176.000 0.013 0.000 1.013 85 Q CA 2.041 57.853 55.803 0.016 0.000 0.869 85 Q CB -0.459 28.299 28.738 0.035 0.000 0.953 85 Q HN 0.463 nan 8.270 nan 0.000 0.415 86 Q N -0.569 119.238 119.800 0.011 0.000 2.439 86 Q HA -0.117 4.223 4.340 -0.000 0.000 0.211 86 Q C 1.604 177.602 176.000 -0.004 0.000 0.978 86 Q CA 1.199 57.006 55.803 0.007 0.000 0.897 86 Q CB -0.149 28.592 28.738 0.004 0.000 0.956 86 Q HN 0.574 nan 8.270 nan 0.000 0.483 87 G N 0.514 109.307 108.800 -0.011 0.000 2.430 87 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 87 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 87 G C 1.432 176.314 174.900 -0.030 0.000 1.146 87 G CA 0.249 45.337 45.100 -0.020 0.000 0.793 87 G HN 0.327 nan 8.290 nan 0.000 0.537 88 I N 0.777 121.326 120.570 -0.035 0.000 2.163 88 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 88 I C 2.708 178.805 176.117 -0.034 0.000 1.081 88 I CA 1.223 62.491 61.300 -0.053 0.000 1.353 88 I CB -0.395 37.560 38.000 -0.075 0.000 1.054 88 I HN 0.225 nan 8.210 nan 0.000 0.407 89 E N 0.970 121.166 120.200 -0.006 0.000 2.035 89 E HA -0.272 4.078 4.350 -0.000 0.000 0.204 89 E C 2.261 178.852 176.600 -0.015 0.000 1.025 89 E CA 1.336 57.740 56.400 0.006 0.000 0.835 89 E CB -0.377 29.335 29.700 0.020 0.000 0.764 89 E HN 0.330 nan 8.360 nan 0.000 0.457 90 L N 1.350 122.563 121.223 -0.016 0.000 2.127 90 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 90 L C 2.224 179.075 176.870 -0.033 0.000 1.089 90 L CA 1.710 56.537 54.840 -0.022 0.000 0.757 90 L CB -0.594 41.455 42.059 -0.017 0.000 0.899 90 L HN 0.245 nan 8.230 nan 0.000 0.434 91 E N -0.459 119.718 120.200 -0.038 0.000 2.028 91 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 91 E C 2.268 178.832 176.600 -0.059 0.000 0.988 91 E CA 0.853 57.224 56.400 -0.048 0.000 0.799 91 E CB 0.182 29.849 29.700 -0.055 0.000 0.755 91 E HN 0.327 nan 8.360 nan 0.000 0.447 92 I N 1.543 122.074 120.570 -0.064 0.000 2.127 92 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 92 I C 2.199 178.257 176.117 -0.098 0.000 1.075 92 I CA 1.528 62.779 61.300 -0.082 0.000 1.334 92 I CB -1.044 36.913 38.000 -0.072 0.000 1.040 92 I HN 0.236 nan 8.210 nan 0.000 0.405 93 E N 0.525 120.678 120.200 -0.078 0.000 2.265 93 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 93 E C 1.671 178.230 176.600 -0.068 0.000 0.996 93 E CA 0.576 56.927 56.400 -0.081 0.000 0.832 93 E CB -0.028 29.644 29.700 -0.047 0.000 0.756 93 E HN 0.492 nan 8.360 nan 0.000 0.491 94 N N 0.667 119.334 118.700 -0.056 0.000 2.354 94 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 94 N C 1.841 177.322 175.510 -0.048 0.000 1.021 94 N CA 0.749 53.773 53.050 -0.044 0.000 0.887 94 N CB 0.098 38.564 38.487 -0.035 0.000 0.974 94 N HN 0.360 nan 8.380 nan 0.000 0.437 95 I N -3.395 117.138 120.570 -0.061 0.000 3.883 95 I HA 0.371 4.541 4.170 -0.000 0.000 0.326 95 I C 0.664 176.737 176.117 -0.074 0.000 1.283 95 I CA -0.105 61.160 61.300 -0.059 0.000 1.161 95 I CB -0.259 37.706 38.000 -0.060 0.000 1.012 95 I HN -0.118 nan 8.210 nan 0.000 0.421 96 G N 1.973 110.710 108.800 -0.105 0.000 2.353 96 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.294 96 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.294 96 G C -0.099 174.662 174.900 -0.231 0.000 1.077 96 G CA 0.396 45.405 45.100 -0.152 0.000 1.098 96 G HN 0.473 nan 8.290 nan 0.000 0.511 97 S N -0.195 115.325 115.700 -0.299 0.000 2.798 97 S HA 0.909 5.379 4.470 -0.000 0.000 0.312 97 S C -0.362 173.917 174.600 -0.534 0.000 1.122 97 S CA -0.875 57.160 58.200 -0.275 0.000 0.949 97 S CB 1.476 64.603 63.200 -0.123 0.000 1.235 97 S HN 0.487 nan 8.310 nan 0.000 0.552 98 H N -0.065 119.011 119.070 0.010 0.000 2.894 98 H HA 0.531 5.087 4.556 -0.000 0.000 0.367 98 H C -1.580 173.733 175.328 -0.025 0.000 1.144 98 H CA -0.558 55.494 56.048 0.006 0.000 1.180 98 H CB 1.602 31.380 29.762 0.027 0.000 1.758 98 H HN 0.197 nan 8.280 nan 0.000 0.541 99 L N 2.706 123.983 121.223 0.089 0.000 2.365 99 L HA 0.430 4.770 4.340 -0.000 0.000 0.273 99 L C -0.237 176.632 176.870 -0.001 0.000 1.000 99 L CA -0.257 54.597 54.840 0.023 0.000 0.819 99 L CB 1.306 43.422 42.059 0.095 0.000 1.284 99 L HN 0.612 nan 8.230 nan 0.000 0.418 100 N N 1.693 120.231 118.700 -0.270 0.000 2.825 100 N HA 0.892 5.632 4.740 -0.000 0.000 0.253 100 N C -1.864 173.444 175.510 -0.337 0.000 1.426 100 N CA -0.376 52.488 53.050 -0.311 0.000 0.851 100 N CB 2.612 40.840 38.487 -0.432 0.000 1.470 100 N HN 0.657 nan 8.380 nan 0.000 0.517 101 A N 0.374 123.100 122.820 -0.157 0.000 2.597 101 A HA 0.649 4.969 4.320 -0.000 0.000 0.292 101 A C -2.156 175.395 177.584 -0.056 0.000 1.057 101 A CA -0.577 51.322 52.037 -0.230 0.000 0.674 101 A CB 0.995 19.694 19.000 -0.502 0.000 1.278 101 A HN 0.664 nan 8.150 nan 0.000 0.416 102 Y N -1.967 118.250 120.300 -0.138 0.000 2.655 102 Y HA 0.897 5.447 4.550 -0.000 0.000 0.336 102 Y C -0.579 175.291 175.900 -0.050 0.000 1.154 102 Y CA -0.997 57.070 58.100 -0.055 0.000 1.055 102 Y CB 1.129 39.589 38.460 -0.001 0.000 1.295 102 Y HN 0.579 nan 8.280 nan 0.000 0.465 103 T N 2.106 116.811 114.554 0.251 0.000 2.928 103 T HA 0.607 4.957 4.350 -0.000 0.000 0.296 103 T C -0.820 174.017 174.700 0.228 0.000 1.000 103 T CA -0.677 61.531 62.100 0.179 0.000 0.989 103 T CB 1.196 70.148 68.868 0.141 0.000 1.005 103 T HN 0.951 nan 8.240 nan 0.000 0.442 104 S N 2.671 118.525 115.700 0.257 0.000 2.759 104 S HA 0.542 5.012 4.470 -0.000 0.000 0.310 104 S C 1.083 175.791 174.600 0.180 0.000 1.123 104 S CA -1.104 57.231 58.200 0.224 0.000 0.959 104 S CB 1.655 65.042 63.200 0.311 0.000 1.172 104 S HN 0.619 nan 8.310 nan 0.000 0.539 105 R N 0.422 121.021 120.500 0.166 0.000 2.096 105 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 105 R C 1.789 178.166 176.300 0.128 0.000 1.127 105 R CA 1.730 57.892 56.100 0.104 0.000 0.968 105 R CB -0.260 30.058 30.300 0.030 0.000 0.861 105 R HN 0.742 nan 8.270 nan 0.000 0.440 106 E N -0.289 120.048 120.200 0.227 0.000 2.276 106 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 106 E C -0.322 176.410 176.600 0.220 0.000 0.983 106 E CA 0.387 56.927 56.400 0.234 0.000 0.861 106 E CB 0.338 30.255 29.700 0.361 0.000 0.817 106 E HN 0.366 nan 8.360 nan 0.000 0.485 107 N N -1.243 117.596 118.700 0.232 0.000 2.853 107 N HA 0.294 5.034 4.740 -0.000 0.000 0.258 107 N C -1.406 174.190 175.510 0.143 0.000 1.444 107 N CA -0.676 52.491 53.050 0.195 0.000 0.837 107 N CB 1.899 40.505 38.487 0.199 0.000 1.489 107 N HN -0.274 nan 8.380 nan 0.000 0.529 108 T N 0.319 114.924 114.554 0.084 0.000 2.824 108 T HA 0.680 5.030 4.350 -0.000 0.000 0.282 108 T C -1.123 173.463 174.700 -0.189 0.000 0.993 108 T CA -0.539 61.562 62.100 0.001 0.000 0.967 108 T CB 1.238 70.235 68.868 0.216 0.000 0.960 108 T HN 0.247 nan 8.240 nan 0.000 0.441 109 V N 3.578 123.169 119.914 -0.539 0.000 2.638 109 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 109 V C -1.583 174.155 176.094 -0.594 0.000 1.052 109 V CA -0.989 60.883 62.300 -0.715 0.000 0.885 109 V CB 1.513 32.537 31.823 -1.332 0.000 0.999 109 V HN 0.839 nan 8.190 nan 0.000 0.424 110 Y N 4.775 124.909 120.300 -0.278 0.000 2.391 110 Y HA 0.800 5.350 4.550 -0.000 0.000 0.341 110 Y C -0.312 175.560 175.900 -0.048 0.000 0.965 110 Y CA -0.905 57.121 58.100 -0.123 0.000 1.067 110 Y CB 2.022 40.430 38.460 -0.087 0.000 1.199 110 Y HN 0.759 nan 8.280 nan 0.000 0.450 111 Y N -0.064 120.254 120.300 0.029 0.000 2.638 111 Y HA 0.970 5.520 4.550 -0.000 0.000 0.335 111 Y C -1.531 174.415 175.900 0.078 0.000 1.155 111 Y CA -1.892 56.227 58.100 0.032 0.000 1.046 111 Y CB 1.059 39.520 38.460 0.001 0.000 1.303 111 Y HN 0.699 nan 8.280 nan 0.000 0.460 112 A N 1.756 124.706 122.820 0.216 0.000 2.515 112 A HA 0.840 5.160 4.320 -0.000 0.000 0.296 112 A C -1.648 176.066 177.584 0.217 0.000 1.094 112 A CA -1.297 50.818 52.037 0.129 0.000 0.718 112 A CB 1.928 20.956 19.000 0.046 0.000 1.307 112 A HN 0.693 nan 8.150 nan 0.000 0.408 113 K N 0.777 121.295 120.400 0.198 0.000 2.270 113 K HA 0.758 5.078 4.320 -0.000 0.000 0.255 113 K C -0.837 175.837 176.600 0.122 0.000 0.936 113 K CA -0.353 56.050 56.287 0.193 0.000 0.809 113 K CB 2.060 34.714 32.500 0.258 0.000 1.131 113 K HN 0.993 nan 8.250 nan 0.000 0.427 114 S N 1.106 116.853 115.700 0.079 0.000 2.615 114 S HA 0.403 4.872 4.470 -0.000 0.000 0.268 114 S C -1.035 173.580 174.600 0.025 0.000 1.146 114 S CA -1.103 57.115 58.200 0.028 0.000 0.818 114 S CB 0.315 63.509 63.200 -0.010 0.000 1.111 114 S HN 0.286 nan 8.310 nan 0.000 0.465 115 L N 2.432 123.659 121.223 0.007 0.000 2.473 115 L HA 0.267 4.607 4.340 -0.000 0.000 0.268 115 L C 2.443 179.316 176.870 0.006 0.000 1.215 115 L CA -0.033 54.814 54.840 0.010 0.000 0.823 115 L CB 0.078 42.139 42.059 0.004 0.000 1.099 115 L HN 0.973 nan 8.230 nan 0.000 0.483 116 Q N 0.383 120.193 119.800 0.016 0.000 2.135 116 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 116 Q C 1.211 177.213 176.000 0.004 0.000 0.981 116 Q CA 1.970 57.785 55.803 0.020 0.000 0.856 116 Q CB -0.347 28.415 28.738 0.041 0.000 0.902 116 Q HN 0.742 nan 8.270 nan 0.000 0.425 117 E N 1.782 121.984 120.200 0.003 0.000 2.130 117 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 117 E C 1.043 177.621 176.600 -0.036 0.000 0.998 117 E CA 1.578 57.974 56.400 -0.006 0.000 0.806 117 E CB -0.100 29.598 29.700 -0.002 0.000 0.738 117 E HN 0.519 nan 8.360 nan 0.000 0.459 118 D N 0.002 120.375 120.400 -0.045 0.000 2.325 118 D HA 0.015 4.655 4.640 -0.000 0.000 0.225 118 D C 1.306 177.541 176.300 -0.109 0.000 1.096 118 D CA 0.027 53.982 54.000 -0.076 0.000 0.844 118 D CB 0.158 40.920 40.800 -0.063 0.000 0.925 118 D HN 0.124 nan 8.370 nan 0.000 0.513 119 I N 2.208 122.713 120.570 -0.108 0.000 2.151 119 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 119 I C -0.305 175.660 176.117 -0.255 0.000 1.080 119 I CA 1.431 62.654 61.300 -0.129 0.000 1.339 119 I CB -2.396 35.550 38.000 -0.090 0.000 1.039 119 I HN 0.069 nan 8.210 nan 0.000 0.409 120 P HA -0.199 nan 4.420 nan 0.000 0.214 120 P C 1.612 178.648 177.300 -0.440 0.000 1.162 120 P CA 1.611 64.296 63.100 -0.692 0.000 0.874 120 P CB -0.121 30.891 31.700 -1.146 0.000 0.784 121 K N 0.834 121.053 120.400 -0.301 0.000 2.228 121 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 121 K C 1.952 178.412 176.600 -0.234 0.000 1.045 121 K CA 1.841 57.988 56.287 -0.233 0.000 0.931 121 K CB -1.088 31.324 32.500 -0.147 0.000 0.727 121 K HN 0.076 nan 8.250 nan 0.000 0.458 122 A N -0.313 122.385 122.820 -0.204 0.000 1.903 122 A HA 0.045 4.365 4.320 -0.000 0.000 0.213 122 A C 2.224 179.719 177.584 -0.148 0.000 1.185 122 A CA 1.061 53.012 52.037 -0.144 0.000 0.628 122 A CB -0.386 18.566 19.000 -0.080 0.000 0.830 122 A HN 0.105 nan 8.150 nan 0.000 0.446 123 V N 1.008 120.816 119.914 -0.176 0.000 2.490 123 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 123 V C 2.326 178.257 176.094 -0.272 0.000 1.061 123 V CA 2.397 64.648 62.300 -0.082 0.000 1.064 123 V CB -0.745 31.064 31.823 -0.023 0.000 0.670 123 V HN 0.709 nan 8.190 nan 0.000 0.461 124 D N 0.687 120.708 120.400 -0.632 0.000 2.077 124 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 124 D C 1.963 178.018 176.300 -0.409 0.000 0.989 124 D CA 1.824 55.286 54.000 -0.898 0.000 0.831 124 D CB -0.269 40.029 40.800 -0.837 0.000 0.979 124 D HN 0.385 nan 8.370 nan 0.000 0.449 125 I N 0.150 120.548 120.570 -0.287 0.000 2.335 125 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 125 I C 2.521 178.522 176.117 -0.193 0.000 1.129 125 I CA 0.482 61.656 61.300 -0.209 0.000 1.402 125 I CB -0.248 37.648 38.000 -0.174 0.000 1.069 125 I HN 0.158 nan 8.210 nan 0.000 0.424 126 L N 0.475 121.614 121.223 -0.139 0.000 1.994 126 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 126 L C 2.934 179.739 176.870 -0.108 0.000 1.071 126 L CA 1.959 56.762 54.840 -0.062 0.000 0.745 126 L CB -0.567 41.553 42.059 0.102 0.000 0.892 126 L HN 0.379 nan 8.230 nan 0.000 0.431 127 S N -0.888 114.680 115.700 -0.221 0.000 2.359 127 S HA -0.278 4.192 4.470 -0.000 0.000 0.224 127 S C 1.660 176.071 174.600 -0.314 0.000 1.035 127 S CA 1.567 59.411 58.200 -0.593 0.000 1.018 127 S CB -0.614 61.878 63.200 -1.180 0.000 0.876 127 S HN 0.429 nan 8.310 nan 0.000 0.448 128 D N 1.623 121.871 120.400 -0.252 0.000 2.106 128 D HA -0.101 4.539 4.640 -0.000 0.000 0.191 128 D C 1.780 177.980 176.300 -0.166 0.000 0.997 128 D CA 1.862 55.755 54.000 -0.177 0.000 0.834 128 D CB -0.416 40.288 40.800 -0.160 0.000 0.956 128 D HN 0.540 nan 8.370 nan 0.000 0.448 129 I N -0.209 120.230 120.570 -0.218 0.000 2.315 129 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 129 I C 2.247 178.191 176.117 -0.287 0.000 1.117 129 I CA 0.336 61.481 61.300 -0.257 0.000 1.404 129 I CB -0.171 37.611 38.000 -0.364 0.000 1.071 129 I HN 0.166 nan 8.210 nan 0.000 0.419 130 L N 0.521 121.540 121.223 -0.340 0.000 2.056 130 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 130 L C 2.448 179.310 176.870 -0.013 0.000 1.078 130 L CA 2.409 57.045 54.840 -0.339 0.000 0.749 130 L CB -0.599 41.267 42.059 -0.321 0.000 0.901 130 L HN 0.406 nan 8.230 nan 0.000 0.433 131 T N -3.799 110.758 114.554 0.006 0.000 3.146 131 T HA 0.019 4.369 4.350 -0.000 0.000 0.235 131 T C 1.293 176.032 174.700 0.066 0.000 0.985 131 T CA -0.029 62.135 62.100 0.106 0.000 1.265 131 T CB -0.502 68.457 68.868 0.151 0.000 0.946 131 T HN 0.150 nan 8.240 nan 0.000 0.418 132 K N 3.538 123.959 120.400 0.035 0.000 3.277 132 K HA 0.202 4.522 4.320 -0.000 0.000 0.291 132 K C 0.033 176.625 176.600 -0.013 0.000 0.994 132 K CA -0.231 56.062 56.287 0.010 0.000 1.147 132 K CB -0.448 32.042 32.500 -0.017 0.000 1.185 132 K HN 0.540 nan 8.250 nan 0.000 0.422 133 S N -1.100 114.598 115.700 -0.004 0.000 2.513 133 S HA 0.114 4.584 4.470 -0.000 0.000 0.276 133 S C 1.460 176.064 174.600 0.007 0.000 1.254 133 S CA -1.007 57.190 58.200 -0.005 0.000 1.053 133 S CB 1.761 64.967 63.200 0.010 0.000 0.958 133 S HN -0.009 nan 8.310 nan 0.000 0.491 134 V N 3.274 123.191 119.914 0.005 0.000 2.287 134 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 134 V C 1.319 177.422 176.094 0.014 0.000 1.053 134 V CA 1.577 63.882 62.300 0.008 0.000 1.027 134 V CB -1.360 30.468 31.823 0.009 0.000 0.646 134 V HN 0.959 nan 8.190 nan 0.000 0.447 135 L N 0.595 121.835 121.223 0.028 0.000 3.601 135 L HA -0.198 4.142 4.340 -0.000 0.000 0.469 135 L C 0.134 177.016 176.870 0.019 0.000 1.294 135 L CA 0.089 54.947 54.840 0.030 0.000 0.829 135 L CB -1.808 40.257 42.059 0.010 0.000 1.628 135 L HN 0.485 nan 8.230 nan 0.000 0.868 136 D N 0.321 120.738 120.400 0.028 0.000 2.455 136 D HA 0.060 4.700 4.640 -0.000 0.000 0.241 136 D C 1.252 177.566 176.300 0.022 0.000 1.138 136 D CA 0.358 54.370 54.000 0.021 0.000 0.877 136 D CB 0.724 41.539 40.800 0.025 0.000 1.187 136 D HN 0.259 nan 8.370 nan 0.000 0.451 137 N N 1.412 120.118 118.700 0.009 0.000 2.289 137 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 137 N C 1.562 177.084 175.510 0.019 0.000 1.016 137 N CA 0.974 54.026 53.050 0.004 0.000 0.872 137 N CB -0.011 38.473 38.487 -0.005 0.000 0.973 137 N HN 0.377 nan 8.380 nan 0.000 0.433 138 S N 0.129 115.843 115.700 0.023 0.000 2.368 138 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 138 S C 1.969 176.597 174.600 0.047 0.000 1.029 138 S CA 1.134 59.351 58.200 0.029 0.000 0.988 138 S CB -0.340 62.875 63.200 0.024 0.000 0.838 138 S HN 0.374 nan 8.310 nan 0.000 0.462 139 A N 1.976 124.830 122.820 0.056 0.000 1.845 139 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 139 A C 2.048 179.710 177.584 0.130 0.000 1.195 139 A CA 1.485 53.571 52.037 0.082 0.000 0.616 139 A CB -1.018 18.033 19.000 0.084 0.000 0.832 139 A HN 0.626 nan 8.150 nan 0.000 0.443 140 I N -0.168 120.478 120.570 0.127 0.000 2.874 140 I HA -0.232 3.938 4.170 -0.000 0.000 0.271 140 I C 1.894 178.120 176.117 0.182 0.000 1.263 140 I CA 1.023 62.421 61.300 0.163 0.000 1.443 140 I CB -0.319 37.675 38.000 -0.010 0.000 1.100 140 I HN 0.365 nan 8.210 nan 0.000 0.480 141 E N 0.288 120.565 120.200 0.129 0.000 2.256 141 E HA 0.054 4.404 4.350 -0.000 0.000 0.198 141 E C 2.138 178.801 176.600 0.105 0.000 0.908 141 E CA 0.309 56.774 56.400 0.108 0.000 0.915 141 E CB -0.017 29.717 29.700 0.057 0.000 0.890 141 E HN 0.387 nan 8.360 nan 0.000 0.484 142 R N 0.981 121.531 120.500 0.083 0.000 2.148 142 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 142 R C 2.076 178.406 176.300 0.050 0.000 1.103 142 R CA 1.060 57.193 56.100 0.056 0.000 0.983 142 R CB 0.035 30.360 30.300 0.042 0.000 0.874 142 R HN -0.014 nan 8.270 nan 0.000 0.451 143 E N 0.935 121.184 120.200 0.080 0.000 2.077 143 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 143 E C 1.673 178.210 176.600 -0.104 0.000 0.989 143 E CA 1.325 57.718 56.400 -0.013 0.000 0.800 143 E CB 0.044 29.744 29.700 -0.000 0.000 0.746 143 E HN 0.156 nan 8.360 nan 0.000 0.452 144 R N 0.478 121.029 120.500 0.084 0.000 2.204 144 R HA -0.200 4.140 4.340 -0.000 0.000 0.253 144 R C 1.988 178.287 176.300 -0.003 0.000 1.172 144 R CA 1.539 57.696 56.100 0.094 0.000 0.994 144 R CB -0.335 30.078 30.300 0.190 0.000 0.874 144 R HN 0.315 nan 8.270 nan 0.000 0.462 145 D N 0.001 120.398 120.400 -0.004 0.000 2.162 145 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 145 D C 1.834 178.116 176.300 -0.031 0.000 0.964 145 D CA 0.757 54.752 54.000 -0.009 0.000 0.847 145 D CB 0.310 41.112 40.800 0.003 0.000 0.988 145 D HN 0.006 nan 8.370 nan 0.000 0.480 146 V N 1.938 121.826 119.914 -0.044 0.000 2.332 146 V HA -0.233 3.886 4.120 -0.000 0.000 0.248 146 V C 2.557 178.624 176.094 -0.046 0.000 1.055 146 V CA 0.971 63.251 62.300 -0.033 0.000 1.038 146 V CB -0.380 31.433 31.823 -0.017 0.000 0.651 146 V HN 0.289 nan 8.190 nan 0.000 0.450 147 I N -0.286 120.196 120.570 -0.147 0.000 2.454 147 I HA -0.173 3.997 4.170 -0.000 0.000 0.254 147 I C 2.304 178.377 176.117 -0.073 0.000 1.156 147 I CA 1.453 62.642 61.300 -0.186 0.000 1.433 147 I CB -1.043 36.717 38.000 -0.400 0.000 1.082 147 I HN 0.253 nan 8.210 nan 0.000 0.432 148 I N 0.451 120.991 120.570 -0.050 0.000 2.333 148 I HA -0.168 4.002 4.170 -0.000 0.000 0.246 148 I C 2.662 178.769 176.117 -0.017 0.000 1.106 148 I CA 0.957 62.245 61.300 -0.020 0.000 1.411 148 I CB -1.150 36.846 38.000 -0.007 0.000 1.082 148 I HN 0.156 nan 8.210 nan 0.000 0.420 149 R N 1.043 121.533 120.500 -0.017 0.000 2.091 149 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 149 R C 2.261 178.552 176.300 -0.015 0.000 1.136 149 R CA 1.655 57.747 56.100 -0.014 0.000 0.959 149 R CB -0.256 30.036 30.300 -0.013 0.000 0.856 149 R HN 0.369 nan 8.270 nan 0.000 0.437 150 E N -0.774 119.422 120.200 -0.007 0.000 2.038 150 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 150 E C 1.867 178.454 176.600 -0.023 0.000 1.000 150 E CA 1.647 58.047 56.400 -0.000 0.000 0.803 150 E CB -0.202 29.525 29.700 0.045 0.000 0.750 150 E HN 0.262 nan 8.360 nan 0.000 0.448 151 S N 0.189 115.875 115.700 -0.023 0.000 2.365 151 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 151 S C 1.735 176.316 174.600 -0.033 0.000 1.039 151 S CA 1.808 59.988 58.200 -0.032 0.000 1.033 151 S CB -0.310 62.877 63.200 -0.021 0.000 0.887 151 S HN 0.305 nan 8.310 nan 0.000 0.447 152 E N -0.016 120.169 120.200 -0.025 0.000 2.265 152 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 152 E C 2.132 178.707 176.600 -0.041 0.000 0.996 152 E CA 1.015 57.400 56.400 -0.025 0.000 0.832 152 E CB -0.026 29.664 29.700 -0.017 0.000 0.756 152 E HN 0.507 nan 8.360 nan 0.000 0.491 153 E N 0.250 120.422 120.200 -0.047 0.000 2.076 153 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 153 E C 2.315 178.863 176.600 -0.087 0.000 0.979 153 E CA 0.463 56.825 56.400 -0.063 0.000 0.807 153 E CB -0.288 29.380 29.700 -0.053 0.000 0.761 153 E HN 0.098 nan 8.360 nan 0.000 0.454 154 V N 2.663 122.530 119.914 -0.078 0.000 2.392 154 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 154 V C 1.440 177.472 176.094 -0.102 0.000 1.059 154 V CA 1.936 64.182 62.300 -0.090 0.000 1.051 154 V CB -0.476 31.299 31.823 -0.079 0.000 0.658 154 V HN 0.161 nan 8.190 nan 0.000 0.455 155 D N -0.194 120.158 120.400 -0.080 0.000 2.378 155 D HA -0.102 4.538 4.640 -0.000 0.000 0.222 155 D C 1.891 178.105 176.300 -0.144 0.000 0.980 155 D CA 0.785 54.747 54.000 -0.063 0.000 0.907 155 D CB -0.087 40.703 40.800 -0.017 0.000 0.899 155 D HN 0.488 nan 8.370 nan 0.000 0.527 156 K N -0.333 119.934 120.400 -0.222 0.000 2.367 156 K HA 0.213 4.533 4.320 -0.000 0.000 0.194 156 K C 0.633 176.850 176.600 -0.640 0.000 1.027 156 K CA 0.060 56.115 56.287 -0.387 0.000 1.075 156 K CB 0.501 32.868 32.500 -0.222 0.000 0.845 156 K HN 0.064 nan 8.250 nan 0.000 0.529 157 M N 1.533 120.872 119.600 -0.434 0.000 2.495 157 M HA 0.183 4.663 4.480 -0.000 0.000 0.346 157 M C -0.341 175.777 176.300 -0.304 0.000 1.251 157 M CA -0.491 54.597 55.300 -0.352 0.000 1.249 157 M CB 0.392 32.886 32.600 -0.175 0.000 1.229 157 M HN -0.017 nan 8.290 nan 0.000 0.450 158 Y N 0.972 121.174 120.300 -0.163 0.000 2.139 158 Y HA -0.339 4.211 4.550 -0.000 0.000 0.282 158 Y C 2.305 178.087 175.900 -0.197 0.000 1.179 158 Y CA 1.937 59.868 58.100 -0.282 0.000 1.161 158 Y CB -0.859 37.120 38.460 -0.801 0.000 0.970 158 Y HN 0.644 nan 8.280 nan 0.000 0.511 159 D N 0.018 120.418 120.400 0.001 0.000 2.104 159 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 159 D C 1.585 177.800 176.300 -0.142 0.000 0.994 159 D CA 1.555 55.422 54.000 -0.221 0.000 0.830 159 D CB -0.534 40.122 40.800 -0.240 0.000 0.959 159 D HN 0.317 nan 8.370 nan 0.000 0.452 160 E N 0.670 120.851 120.200 -0.032 0.000 2.058 160 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 160 E C 2.590 179.203 176.600 0.021 0.000 0.997 160 E CA 0.600 57.009 56.400 0.015 0.000 0.801 160 E CB -0.477 29.200 29.700 -0.039 0.000 0.746 160 E HN 0.273 nan 8.360 nan 0.000 0.450 161 V N 1.241 121.161 119.914 0.010 0.000 2.220 161 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 161 V C 2.662 178.839 176.094 0.139 0.000 1.049 161 V CA 1.727 64.073 62.300 0.077 0.000 1.003 161 V CB -0.766 31.135 31.823 0.130 0.000 0.634 161 V HN 0.062 nan 8.190 nan 0.000 0.444 162 V N -0.739 119.207 119.914 0.052 0.000 2.380 162 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 162 V C 2.218 178.288 176.094 -0.041 0.000 1.063 162 V CA 2.211 64.506 62.300 -0.008 0.000 1.055 162 V CB -0.809 30.948 31.823 -0.110 0.000 0.657 162 V HN 0.445 nan 8.190 nan 0.000 0.455 163 F N 0.107 120.058 119.950 0.002 0.000 2.259 163 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 163 F C 2.246 178.075 175.800 0.048 0.000 1.088 163 F CA 1.021 59.008 58.000 -0.023 0.000 1.358 163 F CB -0.654 38.255 39.000 -0.153 0.000 1.040 163 F HN 0.203 nan 8.300 nan 0.000 0.505 164 D N -0.908 119.581 120.400 0.149 0.000 2.097 164 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 164 D C 2.320 178.655 176.300 0.058 0.000 0.989 164 D CA 1.334 55.351 54.000 0.029 0.000 0.827 164 D CB -0.412 40.336 40.800 -0.087 0.000 0.966 164 D HN 0.306 nan 8.370 nan 0.000 0.456 165 H N 0.063 119.182 119.070 0.081 0.000 2.321 165 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 165 H C 2.297 177.665 175.328 0.067 0.000 1.087 165 H CA 0.730 56.811 56.048 0.056 0.000 1.319 165 H CB -0.431 29.342 29.762 0.019 0.000 1.379 165 H HN 0.104 nan 8.280 nan 0.000 0.501 166 L N 0.802 122.159 121.223 0.224 0.000 2.043 166 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 166 L C 2.212 179.135 176.870 0.089 0.000 1.075 166 L CA 1.792 56.721 54.840 0.148 0.000 0.752 166 L CB -0.643 41.552 42.059 0.226 0.000 0.891 166 L HN 0.183 nan 8.230 nan 0.000 0.432 167 H N -0.841 118.279 119.070 0.084 0.000 2.423 167 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 167 H C 2.242 177.615 175.328 0.076 0.000 1.075 167 H CA 1.667 57.780 56.048 0.109 0.000 1.342 167 H CB 0.122 29.987 29.762 0.172 0.000 1.395 167 H HN 0.493 nan 8.280 nan 0.000 0.530 168 E N 0.096 120.391 120.200 0.157 0.000 2.047 168 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 168 E C 2.042 178.659 176.600 0.029 0.000 0.987 168 E CA 1.341 57.795 56.400 0.088 0.000 0.799 168 E CB 0.007 29.743 29.700 0.060 0.000 0.752 168 E HN 0.649 nan 8.360 nan 0.000 0.449 169 I N -2.005 118.557 120.570 -0.014 0.000 3.030 169 I HA 0.002 4.172 4.170 -0.000 0.000 0.270 169 I C 1.670 177.660 176.117 -0.212 0.000 1.211 169 I CA 0.790 62.044 61.300 -0.075 0.000 1.479 169 I CB 0.127 38.091 38.000 -0.061 0.000 1.105 169 I HN -0.101 nan 8.210 nan 0.000 0.447 170 T N 0.387 114.734 114.554 -0.344 0.000 2.937 170 T HA 0.013 4.363 4.350 -0.000 0.000 0.260 170 T C 0.204 174.492 174.700 -0.687 0.000 1.051 170 T CA 1.226 62.882 62.100 -0.741 0.000 1.141 170 T CB -0.209 68.080 68.868 -0.965 0.000 0.879 170 T HN 0.339 nan 8.240 nan 0.000 0.459 171 Y N 1.789 121.989 120.300 -0.166 0.000 2.696 171 Y HA 0.509 5.059 4.550 -0.000 0.000 0.378 171 Y C 0.212 176.080 175.900 -0.054 0.000 1.012 171 Y CA -1.934 56.110 58.100 -0.092 0.000 1.396 171 Y CB -0.160 38.264 38.460 -0.061 0.000 1.415 171 Y HN -0.150 nan 8.280 nan 0.000 0.569 172 K N 2.284 122.705 120.400 0.034 0.000 2.440 172 K HA -0.085 4.235 4.320 -0.000 0.000 0.275 172 K C 0.096 176.726 176.600 0.050 0.000 1.082 172 K CA 0.791 57.094 56.287 0.026 0.000 1.135 172 K CB -0.274 32.224 32.500 -0.004 0.000 0.864 172 K HN 0.463 nan 8.250 nan 0.000 0.479 173 D N 3.295 123.723 120.400 0.047 0.000 2.697 173 D HA -0.228 4.412 4.640 -0.000 0.000 0.235 173 D C -0.670 175.656 176.300 0.043 0.000 1.167 173 D CA 1.033 55.058 54.000 0.041 0.000 0.656 173 D CB -0.630 40.189 40.800 0.031 0.000 1.025 173 D HN 0.670 nan 8.370 nan 0.000 0.419 174 Q N -1.621 118.211 119.800 0.053 0.000 2.495 174 Q HA 0.343 4.683 4.340 -0.000 0.000 0.287 174 Q C -1.953 174.052 176.000 0.008 0.000 1.078 174 Q CA -1.782 54.039 55.803 0.030 0.000 0.793 174 Q CB 2.034 30.796 28.738 0.040 0.000 1.459 174 Q HN -0.202 nan 8.270 nan 0.000 0.422 175 P HA -0.193 nan 4.420 nan 0.000 0.214 175 P C 1.076 178.336 177.300 -0.066 0.000 1.163 175 P CA 1.093 64.171 63.100 -0.036 0.000 0.889 175 P CB 0.220 31.891 31.700 -0.048 0.000 0.790 176 L N -0.650 120.467 121.223 -0.177 0.000 2.127 176 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 176 L C 2.441 179.338 176.870 0.046 0.000 1.089 176 L CA 2.168 56.851 54.840 -0.262 0.000 0.757 176 L CB -1.776 39.808 42.059 -0.791 0.000 0.899 176 L HN 0.021 nan 8.230 nan 0.000 0.434 177 G N -0.964 107.908 108.800 0.121 0.000 2.448 177 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 177 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 177 G C 0.941 175.920 174.900 0.132 0.000 1.127 177 G CA 0.047 45.273 45.100 0.209 0.000 0.766 177 G HN 0.303 nan 8.290 nan 0.000 0.552 178 R N 0.822 121.363 120.500 0.068 0.000 2.490 178 R HA 0.393 4.733 4.340 -0.000 0.000 0.278 178 R C 0.710 177.019 176.300 0.014 0.000 1.069 178 R CA 0.038 56.159 56.100 0.036 0.000 1.080 178 R CB 0.503 30.820 30.300 0.028 0.000 1.030 178 R HN 0.216 nan 8.270 nan 0.000 0.491 179 T N -1.399 113.148 114.554 -0.012 0.000 2.766 179 T HA 0.168 4.518 4.350 -0.000 0.000 0.295 179 T C 1.508 176.189 174.700 -0.033 0.000 1.024 179 T CA -0.517 61.557 62.100 -0.044 0.000 1.018 179 T CB 0.574 69.403 68.868 -0.064 0.000 1.002 179 T HN 0.502 nan 8.240 nan 0.000 0.532 180 I N 0.229 120.763 120.570 -0.059 0.000 2.333 180 I HA -0.009 4.161 4.170 -0.000 0.000 0.246 180 I C 2.274 178.356 176.117 -0.059 0.000 1.106 180 I CA 0.562 61.831 61.300 -0.051 0.000 1.411 180 I CB -0.325 37.623 38.000 -0.087 0.000 1.082 180 I HN 0.462 nan 8.210 nan 0.000 0.420 181 L N 0.777 121.932 121.223 -0.113 0.000 2.131 181 L HA 0.067 4.407 4.340 -0.000 0.000 0.210 181 L C 1.133 178.027 176.870 0.040 0.000 1.092 181 L CA 1.409 56.210 54.840 -0.066 0.000 0.759 181 L CB -1.181 40.814 42.059 -0.106 0.000 0.903 181 L HN 0.426 nan 8.230 nan 0.000 0.435 182 G N -1.731 107.075 108.800 0.011 0.000 2.746 182 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.685 182 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.685 182 G C -2.640 172.270 174.900 0.016 0.000 1.350 182 G CA -0.690 44.426 45.100 0.026 0.000 0.837 182 G HN 0.085 nan 8.290 nan 0.000 0.564 183 P HA 0.362 nan 4.420 nan 0.000 0.275 183 P C 1.583 178.897 177.300 0.025 0.000 1.228 183 P CA -0.792 62.316 63.100 0.014 0.000 0.786 183 P CB 0.506 32.215 31.700 0.015 0.000 0.927 184 I N 1.520 122.102 120.570 0.020 0.000 2.185 184 I HA -0.290 3.880 4.170 -0.000 0.000 0.246 184 I C 2.162 178.299 176.117 0.034 0.000 1.088 184 I CA 1.866 63.181 61.300 0.026 0.000 1.347 184 I CB -1.016 36.996 38.000 0.020 0.000 1.041 184 I HN 0.614 nan 8.210 nan 0.000 0.415 185 K N 1.460 121.876 120.400 0.028 0.000 2.001 185 K HA -0.284 4.036 4.320 -0.000 0.000 0.223 185 K C 1.802 178.420 176.600 0.031 0.000 1.055 185 K CA 2.643 58.946 56.287 0.026 0.000 0.965 185 K CB -0.187 32.325 32.500 0.021 0.000 0.730 185 K HN 0.236 nan 8.250 nan 0.000 0.449 186 N N 0.597 119.317 118.700 0.033 0.000 2.289 186 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 186 N C 1.707 177.255 175.510 0.063 0.000 1.016 186 N CA 1.244 54.316 53.050 0.036 0.000 0.872 186 N CB -0.128 38.380 38.487 0.036 0.000 0.973 186 N HN 0.329 nan 8.380 nan 0.000 0.433 187 I N 0.384 121.009 120.570 0.092 0.000 2.493 187 I HA -0.194 3.976 4.170 -0.000 0.000 0.254 187 I C 1.523 177.740 176.117 0.167 0.000 1.160 187 I CA 1.076 62.476 61.300 0.168 0.000 1.445 187 I CB -0.059 38.006 38.000 0.109 0.000 1.086 187 I HN 0.117 nan 8.210 nan 0.000 0.433 188 K N 0.182 120.635 120.400 0.088 0.000 2.400 188 K HA 0.043 4.363 4.320 -0.000 0.000 0.194 188 K C 1.566 178.187 176.600 0.034 0.000 1.033 188 K CA 0.943 57.270 56.287 0.066 0.000 1.021 188 K CB 0.190 32.716 32.500 0.043 0.000 0.808 188 K HN 0.274 nan 8.250 nan 0.000 0.505 189 S N 0.017 115.727 115.700 0.016 0.000 2.650 189 S HA 0.226 4.696 4.470 -0.000 0.000 0.240 189 S C 0.389 174.955 174.600 -0.057 0.000 1.007 189 S CA -0.610 57.581 58.200 -0.015 0.000 0.984 189 S CB 0.175 63.372 63.200 -0.006 0.000 0.910 189 S HN -0.062 nan 8.310 nan 0.000 0.509 190 I N 4.377 124.885 120.570 -0.103 0.000 2.471 190 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 190 I C 0.910 176.880 176.117 -0.246 0.000 1.079 190 I CA 0.401 61.576 61.300 -0.208 0.000 1.398 190 I CB 0.576 38.341 38.000 -0.392 0.000 1.403 190 I HN 0.399 nan 8.210 nan 0.000 0.530 191 T N 3.433 117.878 114.554 -0.181 0.000 2.902 191 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 191 T C 1.088 175.690 174.700 -0.163 0.000 1.009 191 T CA -0.839 61.172 62.100 -0.149 0.000 1.051 191 T CB 1.707 70.522 68.868 -0.088 0.000 0.999 191 T HN 0.670 nan 8.240 nan 0.000 0.474 192 R N 0.991 121.409 120.500 -0.137 0.000 2.261 192 R HA -0.120 4.220 4.340 -0.000 0.000 0.236 192 R C 1.470 177.720 176.300 -0.084 0.000 1.141 192 R CA 1.801 57.833 56.100 -0.114 0.000 1.001 192 R CB -0.801 29.454 30.300 -0.074 0.000 0.866 192 R HN 0.821 nan 8.270 nan 0.000 0.468 193 T N 0.478 114.989 114.554 -0.072 0.000 2.894 193 T HA -0.049 4.301 4.350 -0.000 0.000 0.258 193 T C 1.004 175.675 174.700 -0.049 0.000 1.043 193 T CA 0.994 63.063 62.100 -0.051 0.000 1.141 193 T CB -0.161 68.683 68.868 -0.040 0.000 0.873 193 T HN 0.293 nan 8.240 nan 0.000 0.449 194 D N 1.760 122.123 120.400 -0.062 0.000 2.126 194 D HA -0.095 4.545 4.640 -0.000 0.000 0.190 194 D C 2.186 178.469 176.300 -0.028 0.000 1.001 194 D CA 0.973 54.946 54.000 -0.044 0.000 0.841 194 D CB -0.441 40.314 40.800 -0.076 0.000 0.949 194 D HN 0.308 nan 8.370 nan 0.000 0.446 195 L N 0.828 122.004 121.223 -0.080 0.000 1.956 195 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 195 L C 2.501 179.353 176.870 -0.030 0.000 1.073 195 L CA 1.490 56.288 54.840 -0.070 0.000 0.762 195 L CB -0.659 41.340 42.059 -0.101 0.000 0.889 195 L HN 0.006 nan 8.230 nan 0.000 0.433 196 K N -0.160 120.215 120.400 -0.043 0.000 2.218 196 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 196 K C 1.659 178.232 176.600 -0.046 0.000 1.046 196 K CA 1.506 57.767 56.287 -0.044 0.000 0.933 196 K CB -0.265 32.213 32.500 -0.036 0.000 0.728 196 K HN 0.437 nan 8.250 nan 0.000 0.454 197 D N -0.134 120.251 120.400 -0.024 0.000 2.137 197 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 197 D C 1.792 178.074 176.300 -0.030 0.000 0.970 197 D CA 0.840 54.825 54.000 -0.025 0.000 0.837 197 D CB -0.241 40.553 40.800 -0.010 0.000 0.981 197 D HN 0.173 nan 8.370 nan 0.000 0.475 198 Y N 1.961 122.186 120.300 -0.125 0.000 2.165 198 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 198 Y C 2.219 177.945 175.900 -0.290 0.000 1.155 198 Y CA 1.266 59.281 58.100 -0.142 0.000 1.164 198 Y CB -0.333 38.064 38.460 -0.106 0.000 0.978 198 Y HN -0.105 nan 8.280 nan 0.000 0.513 199 I N -0.969 119.492 120.570 -0.182 0.000 2.142 199 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 199 I C 2.259 178.163 176.117 -0.355 0.000 1.078 199 I CA 1.915 62.862 61.300 -0.588 0.000 1.343 199 I CB -0.868 36.907 38.000 -0.374 0.000 1.046 199 I HN 0.196 nan 8.210 nan 0.000 0.405 200 T N 0.676 115.124 114.554 -0.176 0.000 2.684 200 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 200 T C 1.953 176.596 174.700 -0.095 0.000 1.036 200 T CA 1.661 63.702 62.100 -0.098 0.000 1.148 200 T CB -0.222 68.607 68.868 -0.065 0.000 0.863 200 T HN 0.299 nan 8.240 nan 0.000 0.436 201 K N 0.747 121.069 120.400 -0.129 0.000 2.002 201 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 201 K C 2.014 178.537 176.600 -0.128 0.000 1.048 201 K CA 1.513 57.724 56.287 -0.126 0.000 0.930 201 K CB -0.057 32.350 32.500 -0.155 0.000 0.714 201 K HN 0.249 nan 8.250 nan 0.000 0.438 202 N N -0.459 118.117 118.700 -0.207 0.000 2.278 202 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 202 N C 0.153 175.771 175.510 0.180 0.000 1.023 202 N CA 0.532 53.525 53.050 -0.095 0.000 0.862 202 N CB -0.106 38.198 38.487 -0.304 0.000 1.003 202 N HN 0.132 nan 8.380 nan 0.000 0.431 203 Y N 2.782 123.060 120.300 -0.037 0.000 2.525 203 Y HA 0.087 4.637 4.550 -0.000 0.000 0.337 203 Y C 0.366 176.265 175.900 -0.001 0.000 1.248 203 Y CA -0.180 57.927 58.100 0.012 0.000 1.882 203 Y CB -1.079 37.401 38.460 0.035 0.000 1.811 203 Y HN -0.260 nan 8.280 nan 0.000 0.434 204 K N -0.117 120.365 120.400 0.137 0.000 2.221 204 K HA 0.387 4.707 4.320 -0.000 0.000 0.258 204 K C 1.252 177.882 176.600 0.051 0.000 0.944 204 K CA -0.228 56.100 56.287 0.070 0.000 0.823 204 K CB 2.021 34.547 32.500 0.044 0.000 1.113 204 K HN 0.518 nan 8.250 nan 0.000 0.431 205 G N 2.353 111.178 108.800 0.041 0.000 2.505 205 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 205 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 205 G C 0.802 175.713 174.900 0.019 0.000 1.145 205 G CA 1.262 46.382 45.100 0.033 0.000 0.761 205 G HN 0.804 nan 8.290 nan 0.000 0.571 206 D N -0.208 120.204 120.400 0.020 0.000 2.371 206 D HA -0.024 4.616 4.640 -0.000 0.000 0.234 206 D C 1.731 178.041 176.300 0.017 0.000 1.049 206 D CA 0.255 54.264 54.000 0.015 0.000 0.907 206 D CB -0.119 40.690 40.800 0.015 0.000 0.891 206 D HN 0.334 nan 8.370 nan 0.000 0.531 207 R N -0.335 120.179 120.500 0.023 0.000 2.565 207 R HA 0.304 4.644 4.340 -0.000 0.000 0.347 207 R C 0.098 176.415 176.300 0.028 0.000 1.010 207 R CA -0.140 55.979 56.100 0.031 0.000 1.126 207 R CB 0.561 30.887 30.300 0.043 0.000 1.331 207 R HN 0.257 nan 8.270 nan 0.000 0.552 208 M N -1.383 118.222 119.600 0.009 0.000 2.550 208 M HA 0.570 5.050 4.480 -0.000 0.000 0.292 208 M C -1.015 175.270 176.300 -0.024 0.000 1.221 208 M CA -1.265 54.033 55.300 -0.004 0.000 0.873 208 M CB 2.503 35.077 32.600 -0.042 0.000 1.727 208 M HN -0.354 nan 8.290 nan 0.000 0.459 209 V N 2.363 122.277 119.914 -0.001 0.000 2.588 209 V HA 0.530 4.650 4.120 -0.000 0.000 0.304 209 V C -1.153 174.939 176.094 -0.004 0.000 1.042 209 V CA -0.661 61.622 62.300 -0.027 0.000 0.877 209 V CB 2.020 33.804 31.823 -0.065 0.000 0.996 209 V HN 0.798 nan 8.190 nan 0.000 0.425 210 L N 4.704 125.878 121.223 -0.082 0.000 2.262 210 L HA 0.872 5.212 4.340 -0.000 0.000 0.288 210 L C 0.231 177.098 176.870 -0.006 0.000 1.035 210 L CA 0.113 54.902 54.840 -0.085 0.000 0.820 210 L CB 0.873 42.788 42.059 -0.240 0.000 1.204 210 L HN 0.811 nan 8.230 nan 0.000 0.424 211 A N 3.570 126.440 122.820 0.083 0.000 2.337 211 A HA 0.924 5.244 4.320 -0.000 0.000 0.329 211 A C -0.114 177.522 177.584 0.086 0.000 1.146 211 A CA 0.036 52.096 52.037 0.039 0.000 0.800 211 A CB 1.236 20.186 19.000 -0.083 0.000 1.220 211 A HN 0.851 nan 8.150 nan 0.000 0.472 212 G N -0.478 108.359 108.800 0.062 0.000 2.667 212 G HA2 0.820 4.780 3.960 -0.000 0.000 0.298 212 G HA3 0.820 4.780 3.960 -0.000 0.000 0.298 212 G C -0.914 174.028 174.900 0.069 0.000 1.377 212 G CA 0.096 45.241 45.100 0.076 0.000 0.964 212 G HN 1.802 nan 8.290 nan 0.000 0.493 213 A N -0.248 122.608 122.820 0.061 0.000 2.574 213 A HA 1.097 5.417 4.320 -0.000 0.000 0.297 213 A C 0.293 177.890 177.584 0.022 0.000 1.062 213 A CA 0.359 52.420 52.037 0.040 0.000 0.686 213 A CB 1.420 20.431 19.000 0.018 0.000 1.285 213 A HN 2.707 nan 8.150 nan 0.000 0.403 214 G N -0.316 108.470 108.800 -0.023 0.000 2.341 214 G HA2 0.477 4.437 3.960 -0.000 0.000 0.196 214 G HA3 0.477 4.437 3.960 -0.000 0.000 0.196 214 G C 0.336 175.189 174.900 -0.077 0.000 1.231 214 G CA 0.038 45.099 45.100 -0.064 0.000 1.155 214 G HN 2.300 nan 8.290 nan 0.000 0.529 215 A N 0.018 122.825 122.820 -0.022 0.000 2.906 215 A HA 0.591 4.911 4.320 -0.000 0.000 0.289 215 A C 0.041 177.714 177.584 0.149 0.000 1.675 215 A CA 0.563 52.642 52.037 0.069 0.000 1.372 215 A CB -0.667 18.369 19.000 0.061 0.000 1.091 215 A HN 1.768 nan 8.150 nan 0.000 0.579 216 V N 2.508 122.570 119.914 0.246 0.000 2.623 216 V HA 0.233 4.353 4.120 -0.000 0.000 0.304 216 V C -0.738 175.498 176.094 0.235 0.000 1.054 216 V CA -0.965 61.457 62.300 0.203 0.000 0.882 216 V CB 2.059 33.973 31.823 0.152 0.000 1.002 216 V HN 0.752 nan 8.190 nan 0.000 0.424 217 D N 2.194 122.693 120.400 0.164 0.000 2.339 217 D HA 0.146 4.786 4.640 -0.000 0.000 0.241 217 D C 0.984 177.365 176.300 0.134 0.000 1.183 217 D CA 0.109 54.184 54.000 0.125 0.000 0.859 217 D CB 1.105 41.965 40.800 0.099 0.000 1.067 217 D HN 0.722 nan 8.370 nan 0.000 0.484 218 H N 3.419 122.527 119.070 0.063 0.000 2.319 218 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 218 H C 1.299 176.661 175.328 0.056 0.000 1.097 218 H CA 2.382 58.466 56.048 0.060 0.000 1.285 218 H CB 0.523 30.307 29.762 0.036 0.000 1.368 218 H HN 0.406 nan 8.280 nan 0.000 0.495 219 E N 0.446 120.718 120.200 0.119 0.000 2.038 219 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 219 E C 2.190 178.785 176.600 -0.008 0.000 1.000 219 E CA 1.525 57.957 56.400 0.054 0.000 0.803 219 E CB -0.020 29.719 29.700 0.065 0.000 0.750 219 E HN 0.487 nan 8.360 nan 0.000 0.448 220 K N -0.199 120.221 120.400 0.033 0.000 2.063 220 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 220 K C 2.107 178.793 176.600 0.143 0.000 1.048 220 K CA 1.163 57.479 56.287 0.048 0.000 0.928 220 K CB -0.271 32.336 32.500 0.178 0.000 0.713 220 K HN 0.093 nan 8.250 nan 0.000 0.442 221 L N 0.874 122.184 121.223 0.146 0.000 2.201 221 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 221 L C 1.850 178.753 176.870 0.054 0.000 1.105 221 L CA 1.147 56.090 54.840 0.171 0.000 0.775 221 L CB 0.046 42.133 42.059 0.048 0.000 0.913 221 L HN -0.101 nan 8.230 nan 0.000 0.440 222 V N -0.754 119.107 119.914 -0.089 0.000 2.548 222 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 222 V C 2.380 178.468 176.094 -0.011 0.000 1.055 222 V CA 1.590 63.837 62.300 -0.088 0.000 1.065 222 V CB -0.545 31.207 31.823 -0.118 0.000 0.681 222 V HN 0.532 nan 8.190 nan 0.000 0.462 223 Q N -0.782 118.989 119.800 -0.049 0.000 1.942 223 Q HA -0.208 4.132 4.340 -0.000 0.000 0.203 223 Q C 2.269 178.244 176.000 -0.042 0.000 0.987 223 Q CA 2.244 57.976 55.803 -0.118 0.000 0.844 223 Q CB -0.412 28.146 28.738 -0.299 0.000 0.911 223 Q HN 0.643 nan 8.270 nan 0.000 0.423 224 Y N 0.717 121.087 120.300 0.116 0.000 2.228 224 Y HA -0.306 4.244 4.550 -0.000 0.000 0.285 224 Y C 2.385 178.480 175.900 0.325 0.000 1.178 224 Y CA 1.052 59.305 58.100 0.254 0.000 1.202 224 Y CB -0.856 37.761 38.460 0.262 0.000 0.974 224 Y HN 0.213 nan 8.280 nan 0.000 0.527 225 A N -0.185 122.852 122.820 0.362 0.000 1.865 225 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 225 A C 2.192 179.972 177.584 0.328 0.000 1.191 225 A CA 2.107 54.349 52.037 0.342 0.000 0.623 225 A CB -0.912 18.169 19.000 0.135 0.000 0.826 225 A HN 0.436 nan 8.150 nan 0.000 0.444 226 Q N 0.051 119.954 119.800 0.172 0.000 2.030 226 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 226 Q C 2.075 178.122 176.000 0.078 0.000 0.986 226 Q CA 2.558 58.428 55.803 0.111 0.000 0.843 226 Q CB -0.343 28.416 28.738 0.036 0.000 0.904 226 Q HN 0.662 nan 8.270 nan 0.000 0.420 227 K N -1.517 118.881 120.400 -0.003 0.000 2.160 227 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 227 K C 0.861 177.230 176.600 -0.385 0.000 1.047 227 K CA 1.632 57.780 56.287 -0.231 0.000 0.930 227 K CB -0.084 32.191 32.500 -0.375 0.000 0.720 227 K HN 0.366 nan 8.250 nan 0.000 0.450 228 Y N -2.385 117.966 120.300 0.085 0.000 2.445 228 Y HA 0.214 4.764 4.550 -0.000 0.000 0.247 228 Y C 0.509 176.295 175.900 -0.191 0.000 1.129 228 Y CA -0.362 57.686 58.100 -0.087 0.000 1.251 228 Y CB 0.756 39.151 38.460 -0.107 0.000 1.176 228 Y HN -0.045 nan 8.280 nan 0.000 0.522 229 F N -1.955 118.150 119.950 0.259 0.000 2.798 229 F HA 0.336 4.863 4.527 -0.000 0.000 0.328 229 F C 2.046 177.961 175.800 0.192 0.000 1.098 229 F CA -0.025 58.125 58.000 0.250 0.000 1.172 229 F CB 0.184 39.272 39.000 0.147 0.000 1.072 229 F HN -0.031 nan 8.300 nan 0.000 0.555 230 G N 0.443 109.422 108.800 0.297 0.000 2.418 230 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 230 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 230 G C 1.480 176.479 174.900 0.166 0.000 1.158 230 G CA 1.184 46.391 45.100 0.179 0.000 0.771 230 G HN 0.535 nan 8.290 nan 0.000 0.545 231 H N 0.160 119.248 119.070 0.030 0.000 2.567 231 H HA 0.149 4.705 4.556 -0.000 0.000 0.281 231 H C -0.231 175.121 175.328 0.040 0.000 1.055 231 H CA 0.099 56.157 56.048 0.016 0.000 1.185 231 H CB -1.042 28.711 29.762 -0.014 0.000 1.325 231 H HN 0.091 nan 8.280 nan 0.000 0.622 232 V N 3.222 123.012 119.914 -0.207 0.000 2.407 232 V HA 0.196 4.316 4.120 -0.000 0.000 0.278 232 V C -1.906 174.149 176.094 -0.066 0.000 1.037 232 V CA -1.731 60.442 62.300 -0.212 0.000 0.900 232 V CB 1.432 33.226 31.823 -0.048 0.000 0.983 232 V HN 0.246 nan 8.190 nan 0.000 0.459 233 P HA 0.028 nan 4.420 nan 0.000 0.263 233 P C -0.351 176.951 177.300 0.003 0.000 1.175 233 P CA 0.230 63.319 63.100 -0.018 0.000 0.761 233 P CB 0.481 32.172 31.700 -0.014 0.000 0.794 234 K N 1.839 122.243 120.400 0.007 0.000 2.109 234 K HA 0.396 4.716 4.320 -0.000 0.000 0.243 234 K C -0.128 176.478 176.600 0.010 0.000 1.006 234 K CA -0.542 55.753 56.287 0.012 0.000 0.917 234 K CB 0.564 33.072 32.500 0.012 0.000 1.081 234 K HN 0.323 nan 8.250 nan 0.000 0.468 235 S N 0.853 116.560 115.700 0.012 0.000 2.610 235 S HA 0.012 4.482 4.470 -0.000 0.000 0.273 235 S C 0.826 175.430 174.600 0.006 0.000 1.274 235 S CA -0.559 57.646 58.200 0.008 0.000 1.023 235 S CB 1.354 64.560 63.200 0.010 0.000 0.962 235 S HN 0.726 nan 8.310 nan 0.000 0.523 236 E N 0.673 120.875 120.200 0.003 0.000 2.230 236 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 236 E C 0.015 176.618 176.600 0.004 0.000 0.987 236 E CA 0.470 56.872 56.400 0.003 0.000 0.841 236 E CB 0.107 29.807 29.700 0.001 0.000 0.783 236 E HN 0.288 nan 8.360 nan 0.000 0.481 237 S N 2.381 118.083 115.700 0.004 0.000 2.078 237 S HA 0.311 4.781 4.470 -0.000 0.000 0.168 237 S C -2.463 172.142 174.600 0.007 0.000 1.542 237 S CA -1.072 57.131 58.200 0.005 0.000 1.223 237 S CB 0.941 64.144 63.200 0.004 0.000 1.152 237 S HN 0.118 nan 8.310 nan 0.000 0.452 238 P HA 0.197 nan 4.420 nan 0.000 0.266 238 P C -0.625 176.681 177.300 0.011 0.000 1.195 238 P CA -0.240 62.867 63.100 0.010 0.000 0.768 238 P CB 0.599 32.305 31.700 0.010 0.000 0.838 239 V N 0.536 120.458 119.914 0.013 0.000 2.841 239 V HA 0.596 4.716 4.120 -0.000 0.000 0.310 239 V C -2.754 173.349 176.094 0.014 0.000 1.090 239 V CA -2.976 59.333 62.300 0.014 0.000 0.930 239 V CB 1.481 33.314 31.823 0.016 0.000 1.014 239 V HN 0.290 nan 8.190 nan 0.000 0.425 240 P HA 0.239 nan 4.420 nan 0.000 0.265 240 P C 1.172 178.480 177.300 0.012 0.000 1.187 240 P CA -0.022 63.085 63.100 0.011 0.000 0.766 240 P CB 0.586 32.292 31.700 0.010 0.000 0.820 241 L N 1.655 122.883 121.223 0.007 0.000 2.283 241 L HA -0.241 4.099 4.340 -0.000 0.000 0.217 241 L C 2.192 179.070 176.870 0.014 0.000 1.104 241 L CA 1.998 56.843 54.840 0.008 0.000 0.772 241 L CB -0.753 41.302 42.059 -0.007 0.000 0.899 241 L HN 0.627 nan 8.230 nan 0.000 0.439 242 G N -1.232 107.576 108.800 0.014 0.000 2.459 242 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.213 242 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.213 242 G C 0.721 175.644 174.900 0.037 0.000 1.155 242 G CA 0.445 45.560 45.100 0.024 0.000 0.811 242 G HN 0.445 nan 8.290 nan 0.000 0.534 243 S N 2.227 117.946 115.700 0.031 0.000 2.558 243 S HA 0.243 4.713 4.470 -0.000 0.000 0.287 243 S C -2.071 172.552 174.600 0.038 0.000 1.321 243 S CA -0.977 57.243 58.200 0.032 0.000 1.048 243 S CB 0.419 63.633 63.200 0.025 0.000 0.844 243 S HN 0.266 nan 8.310 nan 0.000 0.512 244 P HA 0.014 nan 4.420 nan 0.000 0.261 244 P C 0.568 177.889 177.300 0.034 0.000 1.173 244 P CA -0.113 63.011 63.100 0.040 0.000 0.760 244 P CB 0.528 32.251 31.700 0.037 0.000 0.783 245 R N 3.201 123.722 120.500 0.035 0.000 2.083 245 R HA -0.038 4.302 4.340 -0.000 0.000 0.237 245 R C 1.405 177.716 176.300 0.019 0.000 1.137 245 R CA 2.442 58.558 56.100 0.026 0.000 0.951 245 R CB -0.688 29.625 30.300 0.022 0.000 0.851 245 R HN 0.790 nan 8.270 nan 0.000 0.434 246 G N -2.144 106.668 108.800 0.020 0.000 2.483 246 G HA2 0.114 4.074 3.960 -0.000 0.000 0.090 246 G HA3 0.114 4.074 3.960 -0.000 0.000 0.090 246 G C -2.274 172.638 174.900 0.020 0.000 0.984 246 G CA -0.393 44.718 45.100 0.017 0.000 1.325 246 G HN 0.258 nan 8.290 nan 0.000 0.561 247 P HA 0.653 nan 4.420 nan 0.000 0.287 247 P C -0.766 176.547 177.300 0.023 0.000 1.281 247 P CA -0.547 62.566 63.100 0.021 0.000 0.781 247 P CB 1.285 32.996 31.700 0.019 0.000 0.903 248 L N 6.299 127.542 121.223 0.033 0.000 2.499 248 L HA 0.189 4.529 4.340 -0.000 0.000 0.273 248 L C -1.624 175.275 176.870 0.048 0.000 1.195 248 L CA -0.845 54.020 54.840 0.042 0.000 0.882 248 L CB -1.049 41.043 42.059 0.056 0.000 1.133 248 L HN 0.386 nan 8.230 nan 0.000 0.483 249 P HA 0.188 nan 4.420 nan 0.000 0.271 249 P C -1.207 176.186 177.300 0.154 0.000 1.238 249 P CA -0.280 62.849 63.100 0.048 0.000 0.794 249 P CB 0.654 32.300 31.700 -0.091 0.000 0.959 250 V N 1.216 121.269 119.914 0.231 0.000 2.760 250 V HA 0.492 4.612 4.120 -0.000 0.000 0.309 250 V C -1.507 174.752 176.094 0.275 0.000 1.077 250 V CA -1.002 61.439 62.300 0.235 0.000 0.910 250 V CB 1.331 33.239 31.823 0.140 0.000 1.008 250 V HN 0.335 nan 8.190 nan 0.000 0.424 251 F N 6.853 126.856 119.950 0.087 0.000 2.445 251 F HA 0.574 5.101 4.527 -0.000 0.000 0.359 251 F C 0.255 176.033 175.800 -0.036 0.000 1.101 251 F CA -0.170 57.810 58.000 -0.032 0.000 1.177 251 F CB 0.258 39.230 39.000 -0.046 0.000 1.110 251 F HN 0.626 nan 8.300 nan 0.000 0.522 252 C N 7.166 126.227 119.300 -0.398 0.000 2.264 252 C HA 0.473 4.933 4.460 -0.000 0.000 0.324 252 C C -0.017 174.817 174.990 -0.261 0.000 1.267 252 C CA -1.159 57.739 59.018 -0.200 0.000 1.618 252 C CB 0.029 27.677 27.740 -0.154 0.000 2.278 252 C HN 0.860 nan 8.230 nan 0.000 0.499 253 R N 2.413 122.902 120.500 -0.019 0.000 2.590 253 R HA 0.624 4.964 4.340 -0.000 0.000 0.274 253 R C 0.193 176.474 176.300 -0.031 0.000 1.061 253 R CA 0.206 56.322 56.100 0.028 0.000 1.081 253 R CB 0.316 30.685 30.300 0.115 0.000 0.984 253 R HN 0.924 nan 8.270 nan 0.000 0.448 254 G N 1.028 109.805 108.800 -0.038 0.000 2.495 254 G HA2 0.388 4.348 3.960 -0.000 0.000 0.294 254 G HA3 0.388 4.348 3.960 -0.000 0.000 0.294 254 G C -1.863 173.006 174.900 -0.052 0.000 1.397 254 G CA -0.943 44.133 45.100 -0.040 0.000 0.790 254 G HN 0.784 nan 8.290 nan 0.000 0.486 255 E N -0.871 119.285 120.200 -0.073 0.000 2.372 255 E HA 0.691 5.041 4.350 -0.000 0.000 0.279 255 E C -1.244 175.233 176.600 -0.205 0.000 0.946 255 E CA -1.163 55.120 56.400 -0.194 0.000 0.769 255 E CB 2.846 32.420 29.700 -0.209 0.000 1.230 255 E HN 0.525 nan 8.360 nan 0.000 0.442 256 R N 2.860 123.150 120.500 -0.351 0.000 2.569 256 R HA 0.299 4.639 4.340 -0.000 0.000 0.293 256 R C -1.814 174.284 176.300 -0.337 0.000 1.186 256 R CA -0.535 55.434 56.100 -0.218 0.000 0.956 256 R CB 0.771 30.997 30.300 -0.124 0.000 1.196 256 R HN 0.461 nan 8.270 nan 0.000 0.444 257 F N 4.846 124.772 119.950 -0.041 0.000 2.394 257 F HA 0.454 4.981 4.527 -0.000 0.000 0.340 257 F C 0.628 176.387 175.800 -0.069 0.000 1.105 257 F CA -0.486 57.485 58.000 -0.049 0.000 1.124 257 F CB 1.324 40.304 39.000 -0.032 0.000 1.145 257 F HN 0.292 nan 8.300 nan 0.000 0.505 258 I N 3.711 124.329 120.570 0.079 0.000 2.537 258 I HA 0.194 4.364 4.170 -0.000 0.000 0.276 258 I C -0.150 175.985 176.117 0.029 0.000 1.063 258 I CA -0.695 60.608 61.300 0.006 0.000 1.144 258 I CB 0.987 38.925 38.000 -0.103 0.000 1.252 258 I HN 0.504 nan 8.210 nan 0.000 0.480 259 K N 4.019 124.442 120.400 0.039 0.000 2.436 259 K HA 0.088 4.408 4.320 -0.000 0.000 0.275 259 K C 0.096 176.699 176.600 0.005 0.000 0.999 259 K CA 0.541 56.839 56.287 0.019 0.000 0.980 259 K CB 0.577 33.082 32.500 0.008 0.000 0.919 259 K HN 0.427 nan 8.250 nan 0.000 0.484 260 E N 3.256 123.454 120.200 -0.004 0.000 3.152 260 E HA 0.095 4.445 4.350 -0.000 0.000 0.320 260 E C -0.587 176.004 176.600 -0.016 0.000 1.108 260 E CA -0.142 56.252 56.400 -0.010 0.000 1.032 260 E CB -0.555 29.133 29.700 -0.020 0.000 1.351 260 E HN 0.600 nan 8.360 nan 0.000 0.391 261 N N -0.111 118.582 118.700 -0.012 0.000 2.405 261 N HA -0.191 4.549 4.740 -0.000 0.000 0.189 261 N C 1.447 176.949 175.510 -0.013 0.000 1.021 261 N CA 1.838 54.880 53.050 -0.015 0.000 0.891 261 N CB -0.046 38.434 38.487 -0.013 0.000 0.955 261 N HN 0.649 nan 8.380 nan 0.000 0.443 262 T N -1.713 112.836 114.554 -0.008 0.000 2.942 262 T HA 0.049 4.399 4.350 -0.000 0.000 0.265 262 T C 1.115 175.812 174.700 -0.005 0.000 1.062 262 T CA -0.006 62.093 62.100 -0.001 0.000 1.139 262 T CB -0.189 68.686 68.868 0.012 0.000 0.883 262 T HN 0.043 nan 8.240 nan 0.000 0.468 263 L N 2.796 124.003 121.223 -0.026 0.000 2.540 263 L HA 0.142 4.482 4.340 -0.000 0.000 0.276 263 L C -1.227 175.623 176.870 -0.034 0.000 1.212 263 L CA -1.369 53.439 54.840 -0.054 0.000 0.893 263 L CB 0.788 42.760 42.059 -0.144 0.000 1.138 263 L HN 0.137 nan 8.230 nan 0.000 0.491 264 P HA -0.042 nan 4.420 nan 0.000 0.220 264 P C 0.213 177.504 177.300 -0.016 0.000 1.152 264 P CA 0.720 63.818 63.100 -0.003 0.000 0.812 264 P CB 0.134 31.848 31.700 0.023 0.000 0.792 265 T N -4.032 110.510 114.554 -0.019 0.000 2.885 265 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 265 T C -0.332 174.309 174.700 -0.097 0.000 1.019 265 T CA -0.593 61.468 62.100 -0.065 0.000 1.010 265 T CB 1.417 70.246 68.868 -0.064 0.000 1.022 265 T HN -0.310 nan 8.240 nan 0.000 0.466 266 T N 2.438 116.894 114.554 -0.163 0.000 2.824 266 T HA 0.433 4.783 4.350 -0.000 0.000 0.280 266 T C -0.766 173.764 174.700 -0.282 0.000 0.995 266 T CA -0.639 61.398 62.100 -0.105 0.000 1.009 266 T CB 0.481 69.317 68.868 -0.054 0.000 0.955 266 T HN 0.650 nan 8.240 nan 0.000 0.452 267 H N 2.970 121.982 119.070 -0.096 0.000 2.539 267 H HA 0.480 5.035 4.556 -0.000 0.000 0.332 267 H C -0.755 174.542 175.328 -0.051 0.000 1.031 267 H CA -0.528 55.473 56.048 -0.080 0.000 1.206 267 H CB 1.299 31.094 29.762 0.055 0.000 1.446 267 H HN 0.327 nan 8.280 nan 0.000 0.496 268 I N 1.976 122.521 120.570 -0.041 0.000 2.740 268 I HA 0.544 4.714 4.170 -0.000 0.000 0.303 268 I C -0.146 176.028 176.117 0.096 0.000 1.044 268 I CA -0.646 60.662 61.300 0.014 0.000 1.064 268 I CB 2.111 40.104 38.000 -0.011 0.000 1.249 268 I HN 0.615 nan 8.210 nan 0.000 0.433 269 A N 6.073 128.979 122.820 0.144 0.000 2.381 269 A HA 0.886 5.206 4.320 -0.000 0.000 0.299 269 A C -1.030 176.729 177.584 0.292 0.000 1.049 269 A CA -0.336 51.870 52.037 0.283 0.000 0.715 269 A CB 0.844 19.912 19.000 0.113 0.000 1.222 269 A HN 0.610 nan 8.150 nan 0.000 0.428 270 I N 2.183 122.998 120.570 0.407 0.000 2.439 270 I HA 0.612 4.782 4.170 -0.000 0.000 0.285 270 I C 0.297 176.703 176.117 0.481 0.000 1.021 270 I CA -0.275 61.240 61.300 0.359 0.000 1.091 270 I CB 1.885 40.048 38.000 0.272 0.000 1.242 270 I HN 0.779 nan 8.210 nan 0.000 0.439 271 A N 6.670 129.772 122.820 0.471 0.000 2.430 271 A HA 1.001 5.321 4.320 -0.000 0.000 0.300 271 A C -1.294 176.530 177.584 0.400 0.000 1.124 271 A CA -0.485 51.849 52.037 0.494 0.000 0.766 271 A CB 1.729 21.127 19.000 0.664 0.000 1.328 271 A HN 0.549 nan 8.150 nan 0.000 0.424 272 L N -0.354 120.993 121.223 0.206 0.000 2.359 272 L HA 0.479 4.819 4.340 -0.000 0.000 0.256 272 L C 0.069 176.615 176.870 -0.539 0.000 1.026 272 L CA -0.526 54.155 54.840 -0.265 0.000 0.828 272 L CB 1.965 43.845 42.059 -0.298 0.000 1.406 272 L HN 0.896 nan 8.230 nan 0.000 0.413 273 E N 0.239 119.652 120.200 -1.312 0.000 2.493 273 E HA 0.296 4.646 4.350 -0.000 0.000 0.255 273 E C 0.359 176.777 176.600 -0.303 0.000 0.999 273 E CA 0.494 56.429 56.400 -0.776 0.000 0.934 273 E CB 0.612 29.867 29.700 -0.741 0.000 0.940 273 E HN 0.639 nan 8.360 nan 0.000 0.473 274 G N 3.339 112.133 108.800 -0.010 0.000 3.086 274 G HA2 0.333 4.293 3.960 -0.000 0.000 0.159 274 G HA3 0.333 4.293 3.960 -0.000 0.000 0.159 274 G C -0.621 174.344 174.900 0.110 0.000 1.654 274 G CA -0.187 44.976 45.100 0.105 0.000 1.078 274 G HN 0.530 nan 8.290 nan 0.000 0.558 275 V N -0.568 119.438 119.914 0.154 0.000 3.040 275 V HA 0.648 4.768 4.120 -0.000 0.000 0.312 275 V C -0.218 175.923 176.094 0.079 0.000 1.115 275 V CA -0.300 62.091 62.300 0.152 0.000 0.998 275 V CB 2.298 34.247 31.823 0.209 0.000 1.042 275 V HN 1.069 nan 8.190 nan 0.000 0.433 276 S N 2.218 117.966 115.700 0.080 0.000 2.638 276 S HA 0.385 4.855 4.470 -0.000 0.000 0.298 276 S C 0.522 175.128 174.600 0.010 0.000 1.111 276 S CA -0.487 57.705 58.200 -0.013 0.000 1.027 276 S CB 1.048 64.281 63.200 0.055 0.000 1.064 276 S HN 0.772 nan 8.310 nan 0.000 0.525 277 W N 1.484 122.734 121.300 -0.083 0.000 2.269 277 W HA -0.298 4.362 4.660 -0.000 0.000 0.336 277 W C 2.720 179.012 176.519 -0.378 0.000 1.333 277 W CA 1.671 58.803 57.345 -0.355 0.000 1.299 277 W CB -0.649 28.685 29.460 -0.210 0.000 1.126 277 W HN 0.895 nan 8.180 nan 0.000 0.474 278 S N -0.491 115.271 115.700 0.104 0.000 2.562 278 S HA 0.395 4.865 4.470 -0.000 0.000 0.221 278 S C 0.896 175.538 174.600 0.069 0.000 0.975 278 S CA 0.023 58.255 58.200 0.054 0.000 0.918 278 S CB -0.709 62.536 63.200 0.075 0.000 0.772 278 S HN 0.247 nan 8.310 nan 0.000 0.531 279 A N 2.992 125.866 122.820 0.090 0.000 2.555 279 A HA 0.356 4.676 4.320 -0.000 0.000 0.233 279 A C -0.964 176.704 177.584 0.140 0.000 1.060 279 A CA -0.939 51.172 52.037 0.122 0.000 0.759 279 A CB -0.152 18.942 19.000 0.156 0.000 0.995 279 A HN 0.271 nan 8.150 nan 0.000 0.506 280 P HA -0.076 nan 4.420 nan 0.000 0.221 280 P C 0.308 177.710 177.300 0.169 0.000 1.150 280 P CA 1.407 64.591 63.100 0.140 0.000 0.800 280 P CB 0.121 31.880 31.700 0.097 0.000 0.787 281 D N -2.619 117.881 120.400 0.167 0.000 2.368 281 D HA -0.061 4.579 4.640 -0.000 0.000 0.218 281 D C 1.519 177.848 176.300 0.049 0.000 1.112 281 D CA -0.503 53.583 54.000 0.143 0.000 0.834 281 D CB -1.046 39.912 40.800 0.264 0.000 0.953 281 D HN 0.127 nan 8.370 nan 0.000 0.505 282 Y N 1.642 121.904 120.300 -0.062 0.000 2.030 282 Y HA -0.323 4.227 4.550 -0.000 0.000 0.272 282 Y C 1.427 177.135 175.900 -0.319 0.000 1.185 282 Y CA 1.933 59.890 58.100 -0.238 0.000 1.120 282 Y CB -0.609 37.596 38.460 -0.426 0.000 0.955 282 Y HN -0.098 nan 8.280 nan 0.000 0.495 283 F N -1.305 118.567 119.950 -0.130 0.000 2.259 283 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 283 F C 2.392 178.008 175.800 -0.307 0.000 1.088 283 F CA 1.149 58.997 58.000 -0.254 0.000 1.358 283 F CB -1.008 37.963 39.000 -0.049 0.000 1.040 283 F HN -0.112 nan 8.300 nan 0.000 0.505 284 V N 0.005 119.839 119.914 -0.132 0.000 2.490 284 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 284 V C 2.523 178.197 176.094 -0.700 0.000 1.061 284 V CA 1.658 63.778 62.300 -0.299 0.000 1.064 284 V CB -1.179 30.511 31.823 -0.221 0.000 0.670 284 V HN 0.366 nan 8.190 nan 0.000 0.461 285 A N -0.195 122.069 122.820 -0.926 0.000 1.873 285 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 285 A C 2.159 179.431 177.584 -0.521 0.000 1.186 285 A CA 1.428 52.696 52.037 -1.282 0.000 0.616 285 A CB -0.465 18.063 19.000 -0.787 0.000 0.823 285 A HN 0.481 nan 8.150 nan 0.000 0.442 286 L N -0.756 120.215 121.223 -0.421 0.000 2.191 286 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 286 L C 3.007 179.782 176.870 -0.159 0.000 1.103 286 L CA 0.896 55.580 54.840 -0.261 0.000 0.769 286 L CB -0.577 41.292 42.059 -0.318 0.000 0.908 286 L HN 0.478 nan 8.230 nan 0.000 0.438 287 A N -0.118 122.591 122.820 -0.186 0.000 1.872 287 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 287 A C 2.356 179.892 177.584 -0.080 0.000 1.187 287 A CA 2.062 54.031 52.037 -0.114 0.000 0.614 287 A CB -0.814 18.116 19.000 -0.118 0.000 0.826 287 A HN 0.346 nan 8.150 nan 0.000 0.442 288 T N -0.152 114.318 114.554 -0.139 0.000 2.788 288 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 288 T C 2.036 176.853 174.700 0.194 0.000 1.044 288 T CA 1.543 63.654 62.100 0.019 0.000 1.139 288 T CB -0.278 68.536 68.868 -0.091 0.000 0.867 288 T HN 0.650 nan 8.240 nan 0.000 0.454 289 Q N 0.955 120.845 119.800 0.150 0.000 2.061 289 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 289 Q C 2.512 178.507 176.000 -0.009 0.000 0.984 289 Q CA 1.646 57.429 55.803 -0.033 0.000 0.846 289 Q CB -0.348 28.276 28.738 -0.189 0.000 0.902 289 Q HN 0.545 nan 8.270 nan 0.000 0.421 290 A N 0.815 123.634 122.820 -0.001 0.000 1.972 290 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 290 A C 1.999 179.614 177.584 0.051 0.000 1.169 290 A CA 1.102 53.151 52.037 0.018 0.000 0.635 290 A CB -0.583 18.418 19.000 0.002 0.000 0.810 290 A HN 0.522 nan 8.150 nan 0.000 0.446 291 I N -0.516 120.092 120.570 0.064 0.000 2.315 291 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 291 I C 2.223 178.411 176.117 0.118 0.000 1.117 291 I CA 1.073 62.423 61.300 0.084 0.000 1.404 291 I CB -0.157 37.897 38.000 0.089 0.000 1.071 291 I HN 0.174 nan 8.210 nan 0.000 0.419 292 V N 0.431 120.434 119.914 0.149 0.000 2.407 292 V HA 0.054 4.174 4.120 -0.000 0.000 0.245 292 V C 1.387 177.587 176.094 0.176 0.000 1.041 292 V CA 1.161 63.561 62.300 0.167 0.000 1.040 292 V CB -1.163 30.793 31.823 0.220 0.000 0.671 292 V HN 0.694 nan 8.190 nan 0.000 0.455 293 G N 0.726 109.619 108.800 0.155 0.000 2.645 293 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.239 293 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.239 293 G C -0.469 174.618 174.900 0.310 0.000 1.331 293 G CA 0.064 45.276 45.100 0.187 0.000 0.890 293 G HN 0.461 nan 8.290 nan 0.000 0.572 294 N N -1.350 117.501 118.700 0.251 0.000 2.653 294 N HA 0.770 5.510 4.740 -0.000 0.000 0.294 294 N C -1.154 174.329 175.510 -0.046 0.000 1.305 294 N CA -0.041 53.116 53.050 0.179 0.000 0.827 294 N CB 1.938 40.480 38.487 0.092 0.000 1.415 294 N HN 1.000 nan 8.380 nan 0.000 0.546 295 W N 0.205 121.117 121.300 -0.646 0.000 3.818 295 W HA 0.303 4.963 4.660 -0.000 0.000 0.283 295 W C -2.011 174.226 176.519 -0.470 0.000 1.265 295 W CA -0.424 56.512 57.345 -0.681 0.000 1.226 295 W CB 1.144 29.898 29.460 -1.177 0.000 1.281 295 W HN 0.496 nan 8.180 nan 0.000 0.539 296 D N 3.106 122.816 120.400 -1.150 0.000 2.646 296 D HA 0.319 4.959 4.640 -0.000 0.000 0.245 296 D C 0.960 176.232 176.300 -1.713 0.000 1.099 296 D CA -0.532 52.819 54.000 -1.081 0.000 0.849 296 D CB 1.882 42.358 40.800 -0.540 0.000 1.448 296 D HN 0.470 nan 8.370 nan 0.000 0.489 297 R N 2.707 122.302 120.500 -1.508 0.000 2.159 297 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 297 R C 1.167 177.185 176.300 -0.470 0.000 1.131 297 R CA 1.825 57.310 56.100 -1.026 0.000 0.982 297 R CB 0.005 30.055 30.300 -0.417 0.000 0.868 297 R HN 0.502 nan 8.270 nan 0.000 0.453 298 A N 0.509 123.089 122.820 -0.400 0.000 1.881 298 A HA 0.049 4.369 4.320 -0.000 0.000 0.210 298 A C 1.866 179.327 177.584 -0.204 0.000 1.239 298 A CA 0.345 52.249 52.037 -0.223 0.000 0.629 298 A CB -0.023 18.877 19.000 -0.166 0.000 0.906 298 A HN 0.188 nan 8.150 nan 0.000 0.460 299 I N -0.775 119.646 120.570 -0.248 0.000 2.500 299 I HA 0.154 4.324 4.170 -0.000 0.000 0.252 299 I C 1.671 177.685 176.117 -0.170 0.000 1.142 299 I CA 1.461 62.652 61.300 -0.181 0.000 1.451 299 I CB -1.902 36.000 38.000 -0.163 0.000 1.093 299 I HN 0.556 nan 8.210 nan 0.000 0.430 300 G N 1.211 109.838 108.800 -0.288 0.000 2.501 300 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.213 300 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.213 300 G C 0.593 175.435 174.900 -0.097 0.000 1.158 300 G CA 0.451 45.470 45.100 -0.135 0.000 1.079 300 G HN 0.249 nan 8.290 nan 0.000 0.586 301 T N -2.217 112.372 114.554 0.058 0.000 2.985 301 T HA 0.489 4.839 4.350 -0.000 0.000 0.254 301 T C 2.348 177.068 174.700 0.032 0.000 1.021 301 T CA 1.678 63.826 62.100 0.080 0.000 0.957 301 T CB 0.679 69.638 68.868 0.151 0.000 1.047 301 T HN 2.806 nan 8.240 nan 0.000 0.511 302 G N 0.986 109.794 108.800 0.014 0.000 2.143 302 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 302 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 302 G C 0.096 175.011 174.900 0.024 0.000 0.991 302 G CA 0.366 45.471 45.100 0.009 0.000 0.689 302 G HN 0.772 nan 8.290 nan 0.000 0.522 303 T N -0.936 113.640 114.554 0.038 0.000 2.908 303 T HA 0.484 4.834 4.350 -0.000 0.000 0.290 303 T C 1.037 175.761 174.700 0.039 0.000 1.034 303 T CA 0.137 62.261 62.100 0.041 0.000 1.010 303 T CB 1.699 70.600 68.868 0.054 0.000 1.068 303 T HN 0.177 nan 8.240 nan 0.000 0.481 304 N N 0.990 119.710 118.700 0.033 0.000 2.331 304 N HA -0.034 4.706 4.740 -0.000 0.000 0.180 304 N C -0.054 175.477 175.510 0.036 0.000 1.019 304 N CA 0.598 53.666 53.050 0.030 0.000 0.881 304 N CB 0.347 38.849 38.487 0.024 0.000 0.972 304 N HN 0.371 nan 8.380 nan 0.000 0.435 305 S N 0.883 116.607 115.700 0.039 0.000 2.659 305 S HA 0.461 4.931 4.470 -0.000 0.000 0.312 305 S C -2.677 171.954 174.600 0.052 0.000 1.114 305 S CA -1.080 57.145 58.200 0.041 0.000 1.063 305 S CB 2.015 65.235 63.200 0.033 0.000 0.996 305 S HN 0.134 nan 8.310 nan 0.000 0.478 306 P HA 0.311 nan 4.420 nan 0.000 0.278 306 P C -0.126 177.206 177.300 0.052 0.000 1.238 306 P CA -0.563 62.581 63.100 0.073 0.000 0.794 306 P CB 0.687 32.438 31.700 0.084 0.000 0.955 307 S N 2.546 118.283 115.700 0.062 0.000 2.608 307 S HA 0.219 4.689 4.470 -0.000 0.000 0.261 307 S C -1.664 172.940 174.600 0.006 0.000 1.314 307 S CA -0.727 57.498 58.200 0.043 0.000 0.992 307 S CB -0.133 63.107 63.200 0.065 0.000 0.935 307 S HN 0.220 nan 8.310 nan 0.000 0.564 308 P HA -0.076 nan 4.420 nan 0.000 0.216 308 P C 1.695 178.949 177.300 -0.075 0.000 1.150 308 P CA 0.533 63.612 63.100 -0.035 0.000 0.837 308 P CB -0.058 31.626 31.700 -0.028 0.000 0.786 309 L N -0.142 121.032 121.223 -0.082 0.000 2.017 309 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 309 L C 2.223 179.000 176.870 -0.154 0.000 1.073 309 L CA 2.258 57.009 54.840 -0.148 0.000 0.745 309 L CB -1.562 40.376 42.059 -0.201 0.000 0.894 309 L HN -0.112 nan 8.230 nan 0.000 0.432 310 A N -0.975 121.806 122.820 -0.064 0.000 1.908 310 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 310 A C 2.280 179.634 177.584 -0.383 0.000 1.181 310 A CA 2.130 54.023 52.037 -0.240 0.000 0.627 310 A CB -1.195 17.806 19.000 0.002 0.000 0.818 310 A HN 0.352 nan 8.150 nan 0.000 0.445 311 V N -0.308 119.502 119.914 -0.173 0.000 2.307 311 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 311 V C 3.073 179.065 176.094 -0.171 0.000 1.045 311 V CA 1.959 64.185 62.300 -0.123 0.000 1.024 311 V CB -1.203 30.585 31.823 -0.057 0.000 0.651 311 V HN 0.628 nan 8.190 nan 0.000 0.449 312 A N 0.063 122.772 122.820 -0.184 0.000 1.877 312 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 312 A C 2.446 179.874 177.584 -0.259 0.000 1.186 312 A CA 2.138 54.069 52.037 -0.177 0.000 0.620 312 A CB -0.944 17.962 19.000 -0.157 0.000 0.822 312 A HN 0.601 nan 8.150 nan 0.000 0.443 313 A N 0.126 122.681 122.820 -0.441 0.000 1.986 313 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 313 A C 2.425 179.634 177.584 -0.624 0.000 1.171 313 A CA 2.629 54.255 52.037 -0.686 0.000 0.640 313 A CB -0.777 17.461 19.000 -1.269 0.000 0.811 313 A HN 1.107 nan 8.150 nan 0.000 0.451 314 S N -1.500 113.936 115.700 -0.440 0.000 2.503 314 S HA 0.136 4.606 4.470 -0.000 0.000 0.215 314 S C 0.895 175.518 174.600 0.038 0.000 1.003 314 S CA -0.198 58.015 58.200 0.021 0.000 0.910 314 S CB -0.190 63.157 63.200 0.244 0.000 0.790 314 S HN 0.647 nan 8.310 nan 0.000 0.514 315 Q N 2.635 122.415 119.800 -0.033 0.000 2.492 315 Q HA 0.146 4.486 4.340 -0.000 0.000 0.238 315 Q C -0.139 175.868 176.000 0.011 0.000 1.045 315 Q CA 0.055 55.854 55.803 -0.005 0.000 0.934 315 Q CB 0.106 28.827 28.738 -0.028 0.000 1.276 315 Q HN 0.689 nan 8.270 nan 0.000 0.521 316 N N 0.237 118.947 118.700 0.017 0.000 2.777 316 N HA -0.315 4.425 4.740 -0.000 0.000 0.290 316 N C 0.449 175.982 175.510 0.040 0.000 1.040 316 N CA 0.740 53.803 53.050 0.022 0.000 0.819 316 N CB -1.399 37.094 38.487 0.010 0.000 0.952 316 N HN 1.018 nan 8.380 nan 0.000 0.584 317 G N -0.402 108.432 108.800 0.057 0.000 2.268 317 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.240 317 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.240 317 G C 0.060 175.046 174.900 0.143 0.000 1.010 317 G CA 1.163 46.310 45.100 0.078 0.000 0.618 317 G HN 2.531 nan 8.290 nan 0.000 0.516 318 S N -2.307 113.482 115.700 0.149 0.000 2.922 318 S HA -0.019 4.451 4.470 -0.000 0.000 0.854 318 S C 0.206 174.903 174.600 0.162 0.000 0.921 318 S CA 0.469 58.792 58.200 0.206 0.000 1.418 318 S CB -1.124 62.283 63.200 0.344 0.000 1.015 318 S HN 1.376 nan 8.310 nan 0.000 0.230 319 L N 1.704 122.901 121.223 -0.043 0.000 2.640 319 L HA 0.704 5.044 4.340 -0.000 0.000 0.230 319 L C 1.040 177.568 176.870 -0.570 0.000 1.123 319 L CA 0.613 55.354 54.840 -0.165 0.000 0.900 319 L CB -0.083 41.885 42.059 -0.153 0.000 1.146 319 L HN 1.220 nan 8.230 nan 0.000 0.484 320 A N -1.046 121.322 122.820 -0.753 0.000 2.452 320 A HA 0.309 4.629 4.320 -0.000 0.000 0.294 320 A C -0.456 177.054 177.584 -0.124 0.000 1.010 320 A CA -0.578 50.989 52.037 -0.784 0.000 0.613 320 A CB 0.348 19.206 19.000 -0.236 0.000 1.363 320 A HN -0.105 nan 8.150 nan 0.000 0.463 321 N N 0.156 118.835 118.700 -0.034 0.000 2.251 321 N HA 0.134 4.874 4.740 -0.000 0.000 0.181 321 N C 0.492 175.922 175.510 -0.133 0.000 1.019 321 N CA 1.705 54.747 53.050 -0.013 0.000 0.862 321 N CB 0.098 38.572 38.487 -0.023 0.000 0.992 321 N HN 1.263 nan 8.380 nan 0.000 0.429 322 S N -1.037 114.641 115.700 -0.035 0.000 2.565 322 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 322 S C -1.638 173.019 174.600 0.096 0.000 1.144 322 S CA -1.037 57.132 58.200 -0.053 0.000 0.849 322 S CB 1.020 64.140 63.200 -0.133 0.000 1.103 322 S HN 0.221 nan 8.310 nan 0.000 0.455 323 Y N 0.170 120.578 120.300 0.179 0.000 2.512 323 Y HA 0.870 5.420 4.550 -0.000 0.000 0.348 323 Y C -0.838 175.159 175.900 0.162 0.000 0.990 323 Y CA -1.684 56.480 58.100 0.107 0.000 1.033 323 Y CB 1.685 40.193 38.460 0.080 0.000 1.259 323 Y HN 1.032 nan 8.280 nan 0.000 0.461 324 M N 3.335 123.227 119.600 0.488 0.000 2.238 324 M HA 0.527 5.007 4.480 -0.000 0.000 0.278 324 M C -1.685 174.844 176.300 0.382 0.000 1.040 324 M CA -0.311 55.245 55.300 0.426 0.000 0.969 324 M CB 1.976 34.824 32.600 0.414 0.000 1.694 324 M HN 0.824 nan 8.290 nan 0.000 0.472 325 S N 4.404 120.241 115.700 0.228 0.000 2.564 325 S HA 0.631 5.101 4.470 -0.000 0.000 0.278 325 S C -0.809 173.795 174.600 0.007 0.000 1.333 325 S CA -0.258 57.932 58.200 -0.017 0.000 1.048 325 S CB 0.293 63.422 63.200 -0.120 0.000 0.900 325 S HN 0.504 nan 8.310 nan 0.000 0.505 326 F N -0.389 119.470 119.950 -0.152 0.000 2.599 326 F HA 0.825 5.352 4.527 -0.000 0.000 0.311 326 F C -0.392 175.228 175.800 -0.300 0.000 1.076 326 F CA -1.206 56.701 58.000 -0.154 0.000 0.937 326 F CB 1.581 40.564 39.000 -0.030 0.000 1.282 326 F HN 0.382 nan 8.300 nan 0.000 0.460 327 S N 1.560 117.311 115.700 0.086 0.000 2.511 327 S HA 0.432 4.902 4.470 -0.000 0.000 0.233 327 S C -1.272 173.342 174.600 0.022 0.000 1.104 327 S CA -0.284 57.936 58.200 0.034 0.000 1.129 327 S CB 0.411 63.558 63.200 -0.090 0.000 1.159 327 S HN 0.903 nan 8.310 nan 0.000 0.451 328 T N 3.625 118.202 114.554 0.039 0.000 2.889 328 T HA 0.597 4.947 4.350 -0.000 0.000 0.291 328 T C -0.240 174.209 174.700 -0.417 0.000 0.995 328 T CA -0.126 61.849 62.100 -0.209 0.000 1.092 328 T CB 1.327 70.072 68.868 -0.204 0.000 0.954 328 T HN 0.485 nan 8.240 nan 0.000 0.506 329 S N 1.253 116.459 115.700 -0.822 0.000 2.570 329 S HA 0.760 5.230 4.470 -0.000 0.000 0.286 329 S C -1.579 172.080 174.600 -1.568 0.000 1.099 329 S CA -0.629 56.879 58.200 -1.152 0.000 0.913 329 S CB 0.935 63.305 63.200 -1.383 0.000 1.085 329 S HN 0.566 nan 8.310 nan 0.000 0.480 330 Y N -0.349 119.541 120.300 -0.685 0.000 2.638 330 Y HA 0.609 5.159 4.550 -0.000 0.000 0.339 330 Y C 1.009 176.816 175.900 -0.155 0.000 1.084 330 Y CA -1.003 56.925 58.100 -0.287 0.000 1.068 330 Y CB 0.751 39.170 38.460 -0.068 0.000 1.294 330 Y HN 0.687 nan 8.280 nan 0.000 0.480 331 A N 0.015 123.074 122.820 0.399 0.000 1.933 331 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 331 A C 0.936 178.633 177.584 0.189 0.000 1.175 331 A CA 2.259 54.509 52.037 0.354 0.000 0.628 331 A CB -0.681 18.497 19.000 0.298 0.000 0.814 331 A HN 0.797 nan 8.150 nan 0.000 0.444 332 D N -2.602 117.890 120.400 0.152 0.000 2.431 332 D HA 0.378 5.018 4.640 -0.000 0.000 0.213 332 D C 0.372 176.741 176.300 0.115 0.000 1.130 332 D CA 0.575 54.639 54.000 0.106 0.000 0.834 332 D CB 0.284 41.124 40.800 0.067 0.000 0.985 332 D HN 0.189 nan 8.370 nan 0.000 0.504 333 S N -1.805 113.987 115.700 0.154 0.000 2.724 333 S HA 0.784 5.254 4.470 -0.000 0.000 0.278 333 S C -1.397 173.328 174.600 0.207 0.000 1.190 333 S CA -0.256 58.073 58.200 0.214 0.000 0.860 333 S CB 1.228 64.592 63.200 0.274 0.000 1.206 333 S HN 0.492 nan 8.310 nan 0.000 0.507 334 G N 0.388 109.362 108.800 0.290 0.000 2.519 334 G HA2 0.535 4.495 3.960 -0.000 0.000 0.292 334 G HA3 0.535 4.495 3.960 -0.000 0.000 0.292 334 G C -2.416 172.647 174.900 0.271 0.000 1.507 334 G CA -0.640 44.568 45.100 0.180 0.000 0.806 334 G HN 0.697 nan 8.290 nan 0.000 0.523 335 L N -0.060 121.314 121.223 0.252 0.000 2.386 335 L HA 0.741 5.081 4.340 -0.000 0.000 0.271 335 L C -1.286 175.855 176.870 0.453 0.000 0.993 335 L CA -0.679 54.385 54.840 0.373 0.000 0.819 335 L CB 2.682 44.966 42.059 0.375 0.000 1.294 335 L HN 0.701 nan 8.230 nan 0.000 0.414 336 W N 2.967 124.351 121.300 0.141 0.000 2.957 336 W HA 0.681 5.341 4.660 0.000 0.000 0.336 336 W C -0.229 176.062 176.519 -0.380 0.000 1.087 336 W CA 0.027 57.306 57.345 -0.111 0.000 1.235 336 W CB 2.084 31.518 29.460 -0.043 0.000 1.399 336 W HN 0.638 nan 8.180 nan 0.000 0.480 337 G N 3.180 111.272 108.800 -1.180 0.000 2.364 337 G HA2 0.423 4.383 3.960 -0.000 0.000 0.286 337 G HA3 0.423 4.383 3.960 -0.000 0.000 0.286 337 G C -2.091 172.272 174.900 -0.894 0.000 1.241 337 G CA -0.975 43.655 45.100 -0.784 0.000 0.887 337 G HN 0.544 nan 8.290 nan 0.000 0.484 338 M N -0.072 119.470 119.600 -0.097 0.000 2.535 338 M HA 0.800 5.280 4.480 -0.000 0.000 0.314 338 M C -1.943 174.665 176.300 0.514 0.000 1.153 338 M CA -1.107 54.280 55.300 0.145 0.000 0.924 338 M CB 2.045 34.684 32.600 0.064 0.000 1.710 338 M HN 0.678 nan 8.290 nan 0.000 0.451 339 Y N 5.149 125.692 120.300 0.405 0.000 2.326 339 Y HA 0.740 5.290 4.550 -0.000 0.000 0.331 339 Y C -1.702 174.330 175.900 0.221 0.000 0.962 339 Y CA -1.234 57.072 58.100 0.343 0.000 1.167 339 Y CB 0.790 39.496 38.460 0.409 0.000 1.148 339 Y HN 0.688 nan 8.280 nan 0.000 0.463 340 I N 6.122 126.486 120.570 -0.344 0.000 2.607 340 I HA 0.632 4.802 4.170 -0.000 0.000 0.305 340 I C -0.971 174.800 176.117 -0.578 0.000 0.995 340 I CA -1.364 59.737 61.300 -0.332 0.000 1.148 340 I CB 1.963 39.875 38.000 -0.147 0.000 1.323 340 I HN 0.289 nan 8.210 nan 0.000 0.461 341 V N 2.829 122.503 119.914 -0.400 0.000 2.482 341 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 341 V C -0.031 175.920 176.094 -0.238 0.000 1.026 341 V CA -0.453 61.585 62.300 -0.437 0.000 0.856 341 V CB 1.732 33.317 31.823 -0.397 0.000 1.001 341 V HN 0.939 nan 8.190 nan 0.000 0.424 342 T N -0.086 114.349 114.554 -0.198 0.000 2.942 342 T HA 0.499 4.849 4.350 -0.000 0.000 0.289 342 T C -0.713 174.040 174.700 0.089 0.000 1.044 342 T CA -0.693 61.414 62.100 0.011 0.000 1.023 342 T CB 2.143 71.035 68.868 0.039 0.000 1.123 342 T HN 0.536 nan 8.240 nan 0.000 0.512 343 D N 0.759 121.361 120.400 0.337 0.000 2.317 343 D HA 0.212 4.852 4.640 -0.000 0.000 0.252 343 D C 0.903 177.198 176.300 -0.008 0.000 1.174 343 D CA -0.148 53.881 54.000 0.048 0.000 0.866 343 D CB 1.346 42.060 40.800 -0.142 0.000 1.127 343 D HN 0.564 nan 8.370 nan 0.000 0.467 344 S N 3.284 118.966 115.700 -0.030 0.000 2.469 344 S HA -0.089 4.381 4.470 -0.000 0.000 0.238 344 S C 1.214 175.786 174.600 -0.046 0.000 0.998 344 S CA 0.604 58.784 58.200 -0.033 0.000 0.957 344 S CB 0.104 63.283 63.200 -0.035 0.000 0.764 344 S HN 0.556 nan 8.310 nan 0.000 0.514 345 N N -0.157 118.500 118.700 -0.071 0.000 2.197 345 N HA 0.145 4.885 4.740 -0.000 0.000 0.201 345 N C 1.075 176.516 175.510 -0.115 0.000 1.148 345 N CA 0.279 53.283 53.050 -0.077 0.000 0.883 345 N CB 0.517 38.965 38.487 -0.064 0.000 1.012 345 N HN 0.199 nan 8.380 nan 0.000 0.507 346 E N -0.114 119.966 120.200 -0.200 0.000 2.364 346 E HA 0.169 4.519 4.350 -0.000 0.000 0.203 346 E C -0.382 176.034 176.600 -0.306 0.000 0.888 346 E CA 0.503 56.723 56.400 -0.300 0.000 0.989 346 E CB 0.357 29.782 29.700 -0.458 0.000 0.985 346 E HN 0.370 nan 8.360 nan 0.000 0.499 347 H N -0.152 118.904 119.070 -0.024 0.000 2.463 347 H HA 0.345 4.901 4.556 -0.000 0.000 0.332 347 H C -0.190 175.117 175.328 -0.035 0.000 1.127 347 H CA -0.751 55.282 56.048 -0.025 0.000 1.238 347 H CB 0.889 30.638 29.762 -0.022 0.000 1.478 347 H HN -0.112 nan 8.280 nan 0.000 0.499 348 N N 3.135 121.900 118.700 0.108 0.000 2.437 348 N HA -0.007 4.732 4.740 -0.000 0.000 0.243 348 N C 0.745 176.261 175.510 0.011 0.000 1.041 348 N CA 0.020 53.086 53.050 0.027 0.000 0.940 348 N CB 0.976 39.464 38.487 0.001 0.000 1.133 348 N HN 0.411 nan 8.380 nan 0.000 0.506 349 V N 4.542 124.453 119.914 -0.004 0.000 2.453 349 V HA -0.228 3.892 4.120 -0.000 0.000 0.252 349 V C 2.545 178.610 176.094 -0.049 0.000 1.068 349 V CA 1.668 63.953 62.300 -0.026 0.000 1.070 349 V CB -0.573 31.239 31.823 -0.018 0.000 0.664 349 V HN 0.669 nan 8.190 nan 0.000 0.461 350 R N -0.304 120.155 120.500 -0.068 0.000 2.096 350 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 350 R C 2.254 178.527 176.300 -0.045 0.000 1.127 350 R CA 1.384 57.428 56.100 -0.092 0.000 0.968 350 R CB -0.209 29.993 30.300 -0.163 0.000 0.861 350 R HN 0.464 nan 8.270 nan 0.000 0.440 351 L N 0.115 121.312 121.223 -0.042 0.000 2.017 351 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 351 L C 2.454 179.281 176.870 -0.071 0.000 1.073 351 L CA 0.910 55.726 54.840 -0.041 0.000 0.745 351 L CB -0.452 41.589 42.059 -0.030 0.000 0.894 351 L HN 0.276 nan 8.230 nan 0.000 0.432 352 I N -0.565 119.950 120.570 -0.090 0.000 2.315 352 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 352 I C 2.247 178.270 176.117 -0.156 0.000 1.117 352 I CA 1.306 62.526 61.300 -0.134 0.000 1.404 352 I CB -0.104 37.815 38.000 -0.136 0.000 1.071 352 I HN -0.118 nan 8.210 nan 0.000 0.419 353 V N 1.166 121.012 119.914 -0.113 0.000 2.407 353 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 353 V C 2.161 178.182 176.094 -0.122 0.000 1.055 353 V CA 2.385 64.615 62.300 -0.118 0.000 1.049 353 V CB -1.212 30.596 31.823 -0.024 0.000 0.662 353 V HN 0.521 nan 8.190 nan 0.000 0.455 354 N N -0.304 118.361 118.700 -0.058 0.000 2.084 354 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 354 N C 1.853 177.283 175.510 -0.134 0.000 1.030 354 N CA 1.278 54.297 53.050 -0.051 0.000 0.849 354 N CB -0.131 38.351 38.487 -0.007 0.000 1.012 354 N HN 0.415 nan 8.380 nan 0.000 0.423 355 E N 0.998 121.101 120.200 -0.161 0.000 2.118 355 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 355 E C 2.074 178.491 176.600 -0.305 0.000 0.992 355 E CA 0.780 57.059 56.400 -0.202 0.000 0.804 355 E CB -0.243 29.332 29.700 -0.207 0.000 0.741 355 E HN 0.498 nan 8.360 nan 0.000 0.458 356 I N 0.767 121.089 120.570 -0.414 0.000 2.252 356 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 356 I C 2.468 178.127 176.117 -0.763 0.000 1.102 356 I CA 0.823 61.726 61.300 -0.662 0.000 1.385 356 I CB -0.239 37.316 38.000 -0.741 0.000 1.064 356 I HN 0.052 nan 8.210 nan 0.000 0.414 357 L N 0.531 121.445 121.223 -0.516 0.000 2.046 357 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 357 L C 2.608 179.387 176.870 -0.152 0.000 1.077 357 L CA 1.387 56.036 54.840 -0.318 0.000 0.747 357 L CB -0.618 41.353 42.059 -0.148 0.000 0.896 357 L HN 0.244 nan 8.230 nan 0.000 0.432 358 K N 0.344 120.652 120.400 -0.154 0.000 2.152 358 K HA -0.260 4.060 4.320 -0.000 0.000 0.206 358 K C 1.989 178.556 176.600 -0.054 0.000 1.048 358 K CA 1.617 57.854 56.287 -0.084 0.000 0.933 358 K CB 0.152 32.597 32.500 -0.092 0.000 0.721 358 K HN 0.129 nan 8.250 nan 0.000 0.447 359 E N -0.344 119.788 120.200 -0.113 0.000 2.112 359 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 359 E C 1.467 178.169 176.600 0.169 0.000 0.979 359 E CA 1.120 57.502 56.400 -0.029 0.000 0.814 359 E CB -0.137 29.490 29.700 -0.122 0.000 0.762 359 E HN 0.317 nan 8.360 nan 0.000 0.460 360 W N 1.482 122.787 121.300 0.010 0.000 2.381 360 W HA -0.020 4.640 4.660 -0.000 0.000 0.301 360 W C 1.862 178.390 176.519 0.015 0.000 1.205 360 W CA 1.019 58.392 57.345 0.048 0.000 1.285 360 W CB -0.680 28.819 29.460 0.064 0.000 1.133 360 W HN 0.172 nan 8.180 nan 0.000 0.521 361 K N -0.002 120.530 120.400 0.220 0.000 2.097 361 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 361 K C 2.064 178.714 176.600 0.082 0.000 1.049 361 K CA 1.384 57.737 56.287 0.110 0.000 0.933 361 K CB -0.403 32.131 32.500 0.056 0.000 0.717 361 K HN 0.064 nan 8.250 nan 0.000 0.442 362 R N 1.500 122.050 120.500 0.083 0.000 2.091 362 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 362 R C 2.206 178.551 176.300 0.075 0.000 1.136 362 R CA 1.262 57.400 56.100 0.062 0.000 0.959 362 R CB -0.212 30.119 30.300 0.051 0.000 0.856 362 R HN 0.134 nan 8.270 nan 0.000 0.437 363 I N 0.836 121.475 120.570 0.114 0.000 2.179 363 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 363 I C 2.331 178.491 176.117 0.071 0.000 1.088 363 I CA 1.505 62.868 61.300 0.106 0.000 1.357 363 I CB -0.321 37.771 38.000 0.153 0.000 1.051 363 I HN 0.210 nan 8.210 nan 0.000 0.409 364 K N 0.639 121.077 120.400 0.064 0.000 2.103 364 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 364 K C 2.082 178.694 176.600 0.020 0.000 1.048 364 K CA 1.889 58.192 56.287 0.026 0.000 0.930 364 K CB -0.211 32.295 32.500 0.010 0.000 0.716 364 K HN 0.400 nan 8.250 nan 0.000 0.444 365 S N -0.940 114.777 115.700 0.027 0.000 2.603 365 S HA 0.075 4.545 4.470 -0.000 0.000 0.220 365 S C 1.394 176.005 174.600 0.019 0.000 0.967 365 S CA 0.613 58.824 58.200 0.018 0.000 0.920 365 S CB 0.295 63.505 63.200 0.017 0.000 0.773 365 S HN 0.470 nan 8.310 nan 0.000 0.529 366 G N 1.160 109.975 108.800 0.027 0.000 2.234 366 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 366 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 366 G C 0.339 175.255 174.900 0.025 0.000 0.987 366 G CA 0.298 45.413 45.100 0.025 0.000 0.625 366 G HN 0.518 nan 8.290 nan 0.000 0.532 367 K N 1.397 121.812 120.400 0.026 0.000 3.271 367 K HA 0.375 4.695 4.320 -0.000 0.000 0.281 367 K C 0.888 177.506 176.600 0.029 0.000 1.000 367 K CA 0.563 56.864 56.287 0.023 0.000 1.087 367 K CB -0.906 31.606 32.500 0.020 0.000 1.214 367 K HN 0.772 nan 8.250 nan 0.000 0.313 368 I N -2.893 117.696 120.570 0.030 0.000 2.689 368 I HA 0.498 4.668 4.170 -0.000 0.000 0.299 368 I C -0.022 176.111 176.117 0.026 0.000 1.059 368 I CA -1.104 60.216 61.300 0.034 0.000 1.055 368 I CB 2.278 40.304 38.000 0.044 0.000 1.243 368 I HN 0.011 nan 8.210 nan 0.000 0.425 369 S N 2.340 118.055 115.700 0.024 0.000 2.632 369 S HA 0.268 4.738 4.470 -0.000 0.000 0.271 369 S C 0.449 175.059 174.600 0.017 0.000 1.260 369 S CA -0.458 57.754 58.200 0.019 0.000 1.010 369 S CB 1.545 64.755 63.200 0.018 0.000 0.965 369 S HN 0.715 nan 8.310 nan 0.000 0.534 370 D N 1.815 122.223 120.400 0.013 0.000 2.123 370 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 370 D C 2.231 178.537 176.300 0.010 0.000 0.992 370 D CA 1.882 55.888 54.000 0.010 0.000 0.833 370 D CB -0.877 39.928 40.800 0.009 0.000 0.954 370 D HN 0.739 nan 8.370 nan 0.000 0.455 371 A N 1.498 124.326 122.820 0.012 0.000 1.908 371 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 371 A C 2.053 179.646 177.584 0.015 0.000 1.181 371 A CA 2.140 54.185 52.037 0.013 0.000 0.627 371 A CB -0.667 18.342 19.000 0.015 0.000 0.818 371 A HN 0.503 nan 8.150 nan 0.000 0.445 372 E N -0.539 119.672 120.200 0.020 0.000 2.285 372 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 372 E C 1.578 178.190 176.600 0.020 0.000 0.997 372 E CA 0.992 57.407 56.400 0.024 0.000 0.845 372 E CB -0.345 29.375 29.700 0.033 0.000 0.782 372 E HN 0.299 nan 8.360 nan 0.000 0.491 373 V N 2.028 121.951 119.914 0.015 0.000 2.307 373 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 373 V C 1.856 177.947 176.094 -0.006 0.000 1.045 373 V CA 2.233 64.537 62.300 0.006 0.000 1.024 373 V CB -0.801 31.024 31.823 0.003 0.000 0.651 373 V HN 0.331 nan 8.190 nan 0.000 0.449 374 N N -0.405 118.293 118.700 -0.004 0.000 2.166 374 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 374 N C 2.104 177.608 175.510 -0.010 0.000 1.019 374 N CA 1.028 54.072 53.050 -0.011 0.000 0.856 374 N CB -0.154 38.331 38.487 -0.003 0.000 0.993 374 N HN 0.326 nan 8.380 nan 0.000 0.426 375 R N 0.786 121.287 120.500 0.002 0.000 2.073 375 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 375 R C 2.256 178.556 176.300 0.001 0.000 1.134 375 R CA 1.367 57.471 56.100 0.006 0.000 0.952 375 R CB -0.294 30.016 30.300 0.017 0.000 0.850 375 R HN 0.207 nan 8.270 nan 0.000 0.433 376 A N 1.478 124.299 122.820 0.002 0.000 1.865 376 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 376 A C 1.994 179.562 177.584 -0.027 0.000 1.191 376 A CA 1.666 53.701 52.037 -0.004 0.000 0.623 376 A CB -0.416 18.585 19.000 0.001 0.000 0.826 376 A HN 0.280 nan 8.150 nan 0.000 0.444 377 K N -0.465 119.909 120.400 -0.043 0.000 2.103 377 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 377 K C 2.290 178.836 176.600 -0.090 0.000 1.048 377 K CA 1.224 57.463 56.287 -0.080 0.000 0.930 377 K CB -0.352 32.091 32.500 -0.095 0.000 0.716 377 K HN 0.481 nan 8.250 nan 0.000 0.444 378 A N 1.304 124.089 122.820 -0.058 0.000 1.898 378 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 378 A C 2.156 179.725 177.584 -0.025 0.000 1.181 378 A CA 1.360 53.371 52.037 -0.043 0.000 0.620 378 A CB -0.480 18.512 19.000 -0.014 0.000 0.819 378 A HN 0.345 nan 8.150 nan 0.000 0.442 379 Q N -0.934 118.858 119.800 -0.013 0.000 2.030 379 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 379 Q C 2.030 178.028 176.000 -0.003 0.000 0.986 379 Q CA 1.816 57.619 55.803 0.001 0.000 0.843 379 Q CB -0.275 28.468 28.738 0.008 0.000 0.904 379 Q HN 0.509 nan 8.270 nan 0.000 0.420 380 L N 1.291 122.504 121.223 -0.016 0.000 2.012 380 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 380 L C 1.954 178.816 176.870 -0.014 0.000 1.073 380 L CA 1.952 56.785 54.840 -0.011 0.000 0.748 380 L CB -0.555 41.489 42.059 -0.025 0.000 0.891 380 L HN 0.126 nan 8.230 nan 0.000 0.431 381 K N -0.817 119.544 120.400 -0.064 0.000 2.057 381 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 381 K C 2.027 178.629 176.600 0.003 0.000 1.049 381 K CA 1.395 57.632 56.287 -0.083 0.000 0.931 381 K CB -0.320 32.063 32.500 -0.195 0.000 0.714 381 K HN 0.500 nan 8.250 nan 0.000 0.440 382 A N 1.354 124.182 122.820 0.014 0.000 1.898 382 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 382 A C 2.348 179.955 177.584 0.038 0.000 1.181 382 A CA 1.710 53.769 52.037 0.036 0.000 0.620 382 A CB -0.600 18.418 19.000 0.030 0.000 0.819 382 A HN 0.333 nan 8.150 nan 0.000 0.442 383 A N -0.334 122.506 122.820 0.034 0.000 1.908 383 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 383 A C 2.114 179.733 177.584 0.057 0.000 1.181 383 A CA 1.626 53.687 52.037 0.041 0.000 0.627 383 A CB -0.531 18.492 19.000 0.038 0.000 0.818 383 A HN 0.472 nan 8.150 nan 0.000 0.445 384 L N -1.521 119.745 121.223 0.072 0.000 2.270 384 L HA 0.063 4.403 4.340 -0.000 0.000 0.210 384 L C 2.113 179.035 176.870 0.087 0.000 1.104 384 L CA 0.519 55.419 54.840 0.101 0.000 0.804 384 L CB -0.119 42.030 42.059 0.149 0.000 0.937 384 L HN 0.328 nan 8.230 nan 0.000 0.450 385 L N -1.821 119.448 121.223 0.077 0.000 2.526 385 L HA 0.083 4.423 4.340 -0.000 0.000 0.210 385 L C 2.034 178.941 176.870 0.061 0.000 1.048 385 L CA 0.106 54.993 54.840 0.079 0.000 0.852 385 L CB -0.097 42.032 42.059 0.118 0.000 1.128 385 L HN 0.064 nan 8.230 nan 0.000 0.482 386 L N 0.309 121.566 121.223 0.057 0.000 2.275 386 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 386 L C 2.561 179.450 176.870 0.031 0.000 1.119 386 L CA 1.179 56.044 54.840 0.042 0.000 0.790 386 L CB -0.430 41.654 42.059 0.041 0.000 0.919 386 L HN 0.349 nan 8.230 nan 0.000 0.443 387 S N -0.463 115.257 115.700 0.033 0.000 2.522 387 S HA 0.024 4.494 4.470 -0.000 0.000 0.227 387 S C 1.054 175.665 174.600 0.019 0.000 0.986 387 S CA 0.057 58.272 58.200 0.025 0.000 0.929 387 S CB -0.417 62.800 63.200 0.028 0.000 0.769 387 S HN 0.329 nan 8.310 nan 0.000 0.529 388 L N 2.403 123.640 121.223 0.022 0.000 2.391 388 L HA 0.319 4.659 4.340 -0.000 0.000 0.249 388 L C 1.093 177.966 176.870 0.006 0.000 1.308 388 L CA -0.311 54.537 54.840 0.013 0.000 1.209 388 L CB -0.096 41.973 42.059 0.017 0.000 1.401 388 L HN 0.166 nan 8.230 nan 0.000 0.416 389 D N 1.135 121.536 120.400 0.003 0.000 2.527 389 D HA 0.055 4.695 4.640 -0.000 0.000 0.249 389 D C 1.118 177.414 176.300 -0.007 0.000 1.029 389 D CA 0.617 54.616 54.000 -0.002 0.000 0.951 389 D CB 0.449 41.249 40.800 0.000 0.000 1.093 389 D HN 0.365 nan 8.370 nan 0.000 0.464 390 G N -0.036 108.761 108.800 -0.005 0.000 2.606 390 G HA2 0.234 4.194 3.960 -0.000 0.000 0.252 390 G HA3 0.234 4.194 3.960 -0.000 0.000 0.252 390 G C 1.172 176.069 174.900 -0.005 0.000 1.206 390 G CA 0.526 45.624 45.100 -0.005 0.000 0.861 390 G HN 0.221 nan 8.290 nan 0.000 0.561 391 S N -0.208 115.491 115.700 -0.001 0.000 2.383 391 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 391 S C 2.109 176.715 174.600 0.011 0.000 1.030 391 S CA 2.048 60.250 58.200 0.003 0.000 1.002 391 S CB -0.626 62.581 63.200 0.013 0.000 0.829 391 S HN 0.505 nan 8.310 nan 0.000 0.467 392 T N 2.636 117.197 114.554 0.011 0.000 2.746 392 T HA 0.107 4.457 4.350 -0.000 0.000 0.267 392 T C 2.227 176.903 174.700 -0.040 0.000 1.039 392 T CA 1.391 63.481 62.100 -0.016 0.000 1.142 392 T CB -0.814 68.049 68.868 -0.008 0.000 0.866 392 T HN 0.646 nan 8.240 nan 0.000 0.444 393 A N 0.890 123.696 122.820 -0.023 0.000 1.969 393 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 393 A C 2.263 179.837 177.584 -0.016 0.000 1.169 393 A CA 1.030 53.054 52.037 -0.021 0.000 0.635 393 A CB -0.687 18.306 19.000 -0.011 0.000 0.810 393 A HN 0.529 nan 8.150 nan 0.000 0.445 394 I N -0.860 119.702 120.570 -0.013 0.000 2.286 394 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 394 I C 2.311 178.412 176.117 -0.025 0.000 1.104 394 I CA 0.768 62.058 61.300 -0.017 0.000 1.397 394 I CB -0.255 37.737 38.000 -0.012 0.000 1.072 394 I HN 0.135 nan 8.210 nan 0.000 0.417 395 V N 1.005 120.916 119.914 -0.004 0.000 2.343 395 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 395 V C 2.544 178.642 176.094 0.006 0.000 1.051 395 V CA 2.218 64.527 62.300 0.015 0.000 1.036 395 V CB -0.575 31.300 31.823 0.086 0.000 0.654 395 V HN 0.448 nan 8.190 nan 0.000 0.451 396 E N 0.584 120.817 120.200 0.054 0.000 2.130 396 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 396 E C 1.742 178.322 176.600 -0.033 0.000 0.998 396 E CA 2.117 58.585 56.400 0.114 0.000 0.806 396 E CB -0.361 29.366 29.700 0.046 0.000 0.738 396 E HN 0.696 nan 8.360 nan 0.000 0.459 397 D N -0.846 119.507 120.400 -0.080 0.000 2.120 397 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 397 D C 1.928 178.103 176.300 -0.209 0.000 0.972 397 D CA 1.367 55.295 54.000 -0.120 0.000 0.837 397 D CB -0.101 40.661 40.800 -0.064 0.000 0.989 397 D HN 0.301 nan 8.370 nan 0.000 0.469 398 I N 0.504 120.949 120.570 -0.209 0.000 2.099 398 I HA -0.177 3.993 4.170 -0.000 0.000 0.239 398 I C 2.561 178.404 176.117 -0.457 0.000 1.066 398 I CA 1.459 62.608 61.300 -0.252 0.000 1.324 398 I CB -0.879 37.011 38.000 -0.184 0.000 1.037 398 I HN 0.141 nan 8.210 nan 0.000 0.401 399 G N 0.582 108.891 108.800 -0.818 0.000 2.586 399 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 399 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 399 G C 1.802 176.054 174.900 -1.079 0.000 1.216 399 G CA 0.989 45.023 45.100 -1.776 0.000 0.786 399 G HN 0.245 nan 8.290 nan 0.000 0.583 400 R N 0.099 120.198 120.500 -0.669 0.000 2.081 400 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 400 R C 2.779 178.825 176.300 -0.424 0.000 1.131 400 R CA 1.832 57.736 56.100 -0.327 0.000 0.960 400 R CB -0.453 29.716 30.300 -0.218 0.000 0.856 400 R HN 0.515 nan 8.270 nan 0.000 0.436 401 Q N -0.349 119.203 119.800 -0.414 0.000 2.084 401 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 401 Q C 2.167 177.995 176.000 -0.287 0.000 0.978 401 Q CA 1.831 57.407 55.803 -0.379 0.000 0.844 401 Q CB 0.081 28.659 28.738 -0.267 0.000 0.898 401 Q HN 0.213 nan 8.270 nan 0.000 0.426 402 V N -0.174 119.586 119.914 -0.257 0.000 2.283 402 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 402 V C 2.074 178.082 176.094 -0.144 0.000 1.039 402 V CA 1.317 63.510 62.300 -0.179 0.000 1.016 402 V CB -0.471 31.250 31.823 -0.170 0.000 0.650 402 V HN 0.192 nan 8.190 nan 0.000 0.449 403 V N 1.169 120.990 119.914 -0.155 0.000 3.330 403 V HA -0.143 3.977 4.120 -0.000 0.000 0.273 403 V C 2.007 178.080 176.094 -0.035 0.000 1.179 403 V CA 2.276 64.541 62.300 -0.058 0.000 1.174 403 V CB -0.518 31.317 31.823 0.020 0.000 0.794 403 V HN 0.891 nan 8.190 nan 0.000 0.527 404 T N -7.349 107.141 114.554 -0.107 0.000 3.058 404 T HA 0.139 4.489 4.350 -0.000 0.000 0.278 404 T C 1.149 175.820 174.700 -0.047 0.000 0.974 404 T CA 0.674 62.736 62.100 -0.063 0.000 0.893 404 T CB 0.842 69.585 68.868 -0.207 0.000 1.138 404 T HN 0.236 nan 8.240 nan 0.000 0.529 405 T N -0.187 114.312 114.554 -0.092 0.000 3.074 405 T HA 0.469 4.819 4.350 -0.000 0.000 0.258 405 T C 1.333 176.009 174.700 -0.040 0.000 0.891 405 T CA 0.712 62.778 62.100 -0.056 0.000 0.867 405 T CB 0.136 68.934 68.868 -0.117 0.000 1.261 405 T HN 0.771 nan 8.240 nan 0.000 0.537 406 G N 2.773 111.538 108.800 -0.057 0.000 2.141 406 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 406 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 406 G C -0.057 174.817 174.900 -0.044 0.000 0.982 406 G CA 0.723 45.799 45.100 -0.040 0.000 0.662 406 G HN 0.790 nan 8.290 nan 0.000 0.527 407 K N -2.296 118.066 120.400 -0.065 0.000 2.672 407 K HA 0.766 5.086 4.320 -0.000 0.000 0.295 407 K C -1.225 175.328 176.600 -0.078 0.000 1.042 407 K CA -1.366 54.887 56.287 -0.056 0.000 0.869 407 K CB 1.121 33.603 32.500 -0.031 0.000 1.541 407 K HN 0.090 nan 8.250 nan 0.000 0.396 408 R N 1.643 122.107 120.500 -0.060 0.000 2.483 408 R HA 0.378 4.718 4.340 -0.000 0.000 0.303 408 R C -1.195 175.089 176.300 -0.025 0.000 0.987 408 R CA -0.637 55.425 56.100 -0.063 0.000 0.881 408 R CB 1.067 31.325 30.300 -0.070 0.000 1.177 408 R HN 0.706 nan 8.270 nan 0.000 0.451 409 L N 3.635 124.856 121.223 -0.002 0.000 2.361 409 L HA 0.161 4.501 4.340 -0.000 0.000 0.278 409 L C 1.165 178.050 176.870 0.024 0.000 1.113 409 L CA -0.112 54.747 54.840 0.031 0.000 0.849 409 L CB 1.123 43.236 42.059 0.090 0.000 1.155 409 L HN 0.676 nan 8.230 nan 0.000 0.452 410 S N 3.518 119.227 115.700 0.015 0.000 2.589 410 S HA 0.176 4.646 4.470 -0.000 0.000 0.265 410 S C -1.757 172.860 174.600 0.028 0.000 1.342 410 S CA -0.990 57.218 58.200 0.013 0.000 1.005 410 S CB 0.886 64.090 63.200 0.005 0.000 0.909 410 S HN 0.407 nan 8.310 nan 0.000 0.555 411 P HA -0.108 nan 4.420 nan 0.000 0.215 411 P C 1.217 178.557 177.300 0.067 0.000 1.157 411 P CA 1.410 64.540 63.100 0.050 0.000 0.874 411 P CB -0.025 31.695 31.700 0.034 0.000 0.790 412 E N -0.224 119.994 120.200 0.030 0.000 2.058 412 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 412 E C 1.945 178.577 176.600 0.053 0.000 0.997 412 E CA 1.357 57.768 56.400 0.017 0.000 0.801 412 E CB -0.833 28.857 29.700 -0.017 0.000 0.746 412 E HN 0.437 nan 8.360 nan 0.000 0.450 413 E N -0.134 120.084 120.200 0.032 0.000 2.072 413 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 413 E C 2.088 178.675 176.600 -0.022 0.000 0.985 413 E CA 1.127 57.537 56.400 0.017 0.000 0.801 413 E CB 0.028 29.738 29.700 0.018 0.000 0.750 413 E HN 0.082 nan 8.360 nan 0.000 0.452 414 V N 1.101 121.004 119.914 -0.018 0.000 2.427 414 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 414 V C 1.998 177.985 176.094 -0.179 0.000 1.051 414 V CA 1.520 63.731 62.300 -0.148 0.000 1.048 414 V CB -0.513 31.308 31.823 -0.004 0.000 0.666 414 V HN 0.218 nan 8.190 nan 0.000 0.456 415 F N 1.593 121.458 119.950 -0.141 0.000 2.126 415 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 415 F C 2.403 178.121 175.800 -0.137 0.000 1.096 415 F CA 2.216 60.146 58.000 -0.117 0.000 1.255 415 F CB -0.140 38.820 39.000 -0.067 0.000 0.997 415 F HN 0.196 nan 8.300 nan 0.000 0.479 416 E N 0.022 120.308 120.200 0.145 0.000 2.072 416 E HA -0.196 4.153 4.350 -0.000 0.000 0.191 416 E C 2.108 178.639 176.600 -0.114 0.000 0.985 416 E CA 1.337 57.773 56.400 0.059 0.000 0.801 416 E CB -0.367 29.365 29.700 0.054 0.000 0.750 416 E HN 0.334 nan 8.360 nan 0.000 0.452 417 Q N -0.112 119.542 119.800 -0.243 0.000 2.135 417 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 417 Q C 2.309 178.083 176.000 -0.377 0.000 0.981 417 Q CA 1.446 57.029 55.803 -0.366 0.000 0.856 417 Q CB -0.462 27.797 28.738 -0.797 0.000 0.902 417 Q HN 0.297 nan 8.270 nan 0.000 0.425 418 V N 0.709 120.350 119.914 -0.455 0.000 2.273 418 V HA -0.193 3.927 4.120 -0.000 0.000 0.242 418 V C 1.971 177.901 176.094 -0.274 0.000 1.035 418 V CA 1.786 63.882 62.300 -0.340 0.000 1.013 418 V CB -0.679 30.925 31.823 -0.364 0.000 0.652 418 V HN 0.278 nan 8.190 nan 0.000 0.452 419 D N 0.766 120.950 120.400 -0.359 0.000 2.203 419 D HA -0.260 4.380 4.640 -0.000 0.000 0.199 419 D C 2.071 178.303 176.300 -0.114 0.000 0.997 419 D CA 1.618 55.465 54.000 -0.255 0.000 0.863 419 D CB -0.092 40.587 40.800 -0.202 0.000 0.928 419 D HN 0.639 nan 8.370 nan 0.000 0.458 420 K N -0.016 120.329 120.400 -0.092 0.000 2.459 420 K HA 0.018 4.338 4.320 -0.000 0.000 0.193 420 K C 0.604 177.180 176.600 -0.040 0.000 1.030 420 K CA -0.001 56.258 56.287 -0.046 0.000 1.026 420 K CB -0.052 32.431 32.500 -0.028 0.000 0.809 420 K HN 0.180 nan 8.250 nan 0.000 0.504 421 I N 3.469 124.005 120.570 -0.057 0.000 2.752 421 I HA -0.080 4.090 4.170 -0.000 0.000 0.287 421 I C 0.721 176.821 176.117 -0.029 0.000 1.188 421 I CA 0.231 61.508 61.300 -0.038 0.000 1.427 421 I CB 0.608 38.577 38.000 -0.051 0.000 1.365 421 I HN 0.297 nan 8.210 nan 0.000 0.585 422 T N 1.985 116.531 114.554 -0.014 0.000 2.926 422 T HA 0.282 4.632 4.350 -0.000 0.000 0.289 422 T C 0.724 175.424 174.700 -0.001 0.000 1.054 422 T CA -0.949 61.147 62.100 -0.007 0.000 1.015 422 T CB 2.155 71.023 68.868 -0.001 0.000 1.167 422 T HN 0.663 nan 8.240 nan 0.000 0.526 423 K N 0.144 120.546 120.400 0.003 0.000 2.032 423 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 423 K C 1.545 178.156 176.600 0.018 0.000 1.048 423 K CA 2.240 58.534 56.287 0.011 0.000 0.927 423 K CB -0.529 31.978 32.500 0.012 0.000 0.712 423 K HN 0.714 nan 8.250 nan 0.000 0.441 424 D N 0.861 121.271 120.400 0.015 0.000 2.123 424 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 424 D C 1.532 177.848 176.300 0.028 0.000 0.992 424 D CA 1.279 55.290 54.000 0.019 0.000 0.833 424 D CB -0.112 40.695 40.800 0.012 0.000 0.954 424 D HN 0.222 nan 8.370 nan 0.000 0.455 425 D N -0.148 120.267 120.400 0.025 0.000 2.116 425 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 425 D C 2.304 178.644 176.300 0.066 0.000 0.998 425 D CA 0.744 54.767 54.000 0.038 0.000 0.836 425 D CB -0.246 40.566 40.800 0.019 0.000 0.951 425 D HN 0.353 nan 8.370 nan 0.000 0.449 426 I N 0.949 121.545 120.570 0.043 0.000 2.179 426 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 426 I C 2.504 178.691 176.117 0.117 0.000 1.088 426 I CA 0.741 62.077 61.300 0.060 0.000 1.357 426 I CB -0.186 37.828 38.000 0.023 0.000 1.051 426 I HN -0.039 nan 8.210 nan 0.000 0.409 427 I N 0.261 120.876 120.570 0.075 0.000 2.264 427 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 427 I C 2.608 178.759 176.117 0.056 0.000 1.111 427 I CA 1.339 62.675 61.300 0.061 0.000 1.382 427 I CB -0.385 37.637 38.000 0.037 0.000 1.060 427 I HN 0.264 nan 8.210 nan 0.000 0.418 428 M N -0.772 118.868 119.600 0.065 0.000 2.077 428 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 428 M C 2.346 178.684 176.300 0.063 0.000 1.070 428 M CA 1.868 57.194 55.300 0.043 0.000 1.125 428 M CB -1.061 31.559 32.600 0.034 0.000 1.339 428 M HN 0.400 nan 8.290 nan 0.000 0.409 429 W N 1.667 122.924 121.300 -0.071 0.000 2.321 429 W HA -0.223 4.437 4.660 -0.000 0.000 0.306 429 W C 2.565 178.976 176.519 -0.179 0.000 1.217 429 W CA 2.692 59.978 57.345 -0.098 0.000 1.257 429 W CB -0.230 29.147 29.460 -0.138 0.000 1.145 429 W HN 0.260 nan 8.180 nan 0.000 0.509 430 A N 0.267 123.141 122.820 0.090 0.000 1.902 430 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 430 A C 1.906 179.316 177.584 -0.290 0.000 1.181 430 A CA 1.871 53.824 52.037 -0.141 0.000 0.623 430 A CB -1.019 17.989 19.000 0.013 0.000 0.818 430 A HN 0.467 nan 8.150 nan 0.000 0.443 431 N N -1.862 116.743 118.700 -0.159 0.000 2.331 431 N HA -0.120 4.620 4.740 -0.000 0.000 0.180 431 N C 1.577 176.984 175.510 -0.170 0.000 1.019 431 N CA 1.391 54.357 53.050 -0.139 0.000 0.881 431 N CB -0.247 38.203 38.487 -0.062 0.000 0.972 431 N HN 0.667 nan 8.380 nan 0.000 0.435 432 Y N 2.172 122.246 120.300 -0.377 0.000 2.206 432 Y HA 0.044 4.594 4.550 0.000 0.000 0.292 432 Y C 2.025 177.604 175.900 -0.534 0.000 1.123 432 Y CA 1.352 59.209 58.100 -0.404 0.000 1.142 432 Y CB 0.017 38.231 38.460 -0.410 0.000 1.006 432 Y HN -0.141 nan 8.280 nan 0.000 0.518 433 R N 0.054 119.955 120.500 -0.997 0.000 2.246 433 R HA 0.182 4.522 4.340 -0.000 0.000 0.199 433 R C 0.984 176.770 176.300 -0.857 0.000 0.984 433 R CA 0.645 56.045 56.100 -1.167 0.000 1.015 433 R CB -0.084 29.203 30.300 -1.689 0.000 0.930 433 R HN 0.386 nan 8.270 nan 0.000 0.475 434 L N 0.619 121.437 121.223 -0.675 0.000 3.066 434 L HA 0.306 4.645 4.340 -0.000 0.000 0.265 434 L C -0.163 176.552 176.870 -0.258 0.000 1.232 434 L CA -0.245 54.323 54.840 -0.454 0.000 1.031 434 L CB 0.322 42.109 42.059 -0.452 0.000 1.379 434 L HN -0.121 nan 8.230 nan 0.000 0.563 435 Q N 1.197 120.833 119.800 -0.273 0.000 2.274 435 Q HA 0.331 4.671 4.340 -0.000 0.000 0.268 435 Q C -0.419 175.475 176.000 -0.176 0.000 1.015 435 Q CA -0.308 55.391 55.803 -0.173 0.000 0.775 435 Q CB 1.033 29.687 28.738 -0.139 0.000 1.256 435 Q HN 0.164 nan 8.270 nan 0.000 0.442 436 N N 2.844 121.468 118.700 -0.126 0.000 2.725 436 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 436 N C -1.214 174.209 175.510 -0.146 0.000 1.031 436 N CA 0.993 53.977 53.050 -0.109 0.000 0.720 436 N CB -0.387 38.048 38.487 -0.087 0.000 0.930 436 N HN 0.562 nan 8.380 nan 0.000 0.543 437 K N 0.036 120.332 120.400 -0.173 0.000 2.435 437 K HA 0.506 4.826 4.320 -0.000 0.000 0.251 437 K C -2.319 174.194 176.600 -0.145 0.000 0.954 437 K CA -1.379 54.776 56.287 -0.220 0.000 0.820 437 K CB 2.588 34.864 32.500 -0.375 0.000 1.292 437 K HN -0.091 nan 8.250 nan 0.000 0.436 438 P HA 0.130 nan 4.420 nan 0.000 0.272 438 P C -0.553 176.803 177.300 0.094 0.000 1.223 438 P CA -0.382 62.742 63.100 0.039 0.000 0.784 438 P CB 0.869 32.659 31.700 0.150 0.000 0.923 439 V N -0.350 119.697 119.914 0.222 0.000 2.686 439 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 439 V C -0.353 175.915 176.094 0.289 0.000 1.065 439 V CA -0.676 61.798 62.300 0.290 0.000 0.894 439 V CB 1.504 33.445 31.823 0.196 0.000 1.004 439 V HN 0.752 nan 8.190 nan 0.000 0.424 440 S N 6.548 122.439 115.700 0.319 0.000 2.651 440 S HA 0.908 5.378 4.470 -0.000 0.000 0.291 440 S C -0.471 174.193 174.600 0.106 0.000 1.141 440 S CA -0.734 57.515 58.200 0.082 0.000 1.027 440 S CB 1.973 65.077 63.200 -0.160 0.000 1.043 440 S HN 1.494 nan 8.310 nan 0.000 0.530 441 M N 1.610 121.215 119.600 0.007 0.000 2.578 441 M HA 0.615 5.095 4.480 -0.000 0.000 0.276 441 M C -2.423 173.795 176.300 -0.137 0.000 1.245 441 M CA -0.656 54.635 55.300 -0.015 0.000 0.871 441 M CB 2.013 34.595 32.600 -0.030 0.000 1.722 441 M HN 0.672 nan 8.290 nan 0.000 0.473 442 V N 1.805 121.646 119.914 -0.123 0.000 2.851 442 V HA 0.908 5.028 4.120 -0.000 0.000 0.307 442 V C -1.063 174.940 176.094 -0.152 0.000 1.129 442 V CA -0.647 61.545 62.300 -0.180 0.000 0.932 442 V CB 1.860 33.640 31.823 -0.071 0.000 1.024 442 V HN 0.978 nan 8.190 nan 0.000 0.426 443 A N 4.069 126.777 122.820 -0.187 0.000 2.422 443 A HA 0.962 5.282 4.320 -0.000 0.000 0.302 443 A C -1.713 175.865 177.584 -0.009 0.000 1.041 443 A CA -0.531 51.485 52.037 -0.035 0.000 0.708 443 A CB 1.759 20.815 19.000 0.093 0.000 1.257 443 A HN 1.089 nan 8.150 nan 0.000 0.414 444 L N 2.198 123.433 121.223 0.020 0.000 2.409 444 L HA 0.860 5.200 4.340 -0.000 0.000 0.272 444 L C 0.356 177.227 176.870 0.001 0.000 0.980 444 L CA 1.353 56.189 54.840 -0.006 0.000 0.826 444 L CB 1.451 43.493 42.059 -0.028 0.000 1.268 444 L HN 2.137 nan 8.230 nan 0.000 0.407 445 G N 4.174 112.964 108.800 -0.017 0.000 2.395 445 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.201 445 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.201 445 G C -0.686 174.207 174.900 -0.010 0.000 1.206 445 G CA -0.136 44.946 45.100 -0.030 0.000 1.210 445 G HN 0.987 nan 8.290 nan 0.000 0.557 446 N N 1.253 119.944 118.700 -0.015 0.000 2.971 446 N HA 0.284 5.024 4.740 -0.000 0.000 0.294 446 N C 1.497 177.004 175.510 -0.005 0.000 1.210 446 N CA 1.327 54.367 53.050 -0.016 0.000 1.157 446 N CB 0.222 38.695 38.487 -0.024 0.000 1.450 446 N HN 0.660 nan 8.380 nan 0.000 0.527 447 T N 0.075 114.636 114.554 0.010 0.000 2.946 447 T HA -0.175 4.175 4.350 -0.000 0.000 0.271 447 T C 1.785 176.446 174.700 -0.064 0.000 1.104 447 T CA 1.852 63.971 62.100 0.032 0.000 1.114 447 T CB -0.277 68.634 68.868 0.072 0.000 0.867 447 T HN 0.638 nan 8.240 nan 0.000 0.513 448 S N -0.385 115.269 115.700 -0.077 0.000 2.440 448 S HA -0.123 4.347 4.470 -0.000 0.000 0.240 448 S C 1.974 176.509 174.600 -0.109 0.000 1.014 448 S CA 1.817 59.953 58.200 -0.106 0.000 0.980 448 S CB -0.805 62.349 63.200 -0.077 0.000 0.775 448 S HN 0.561 nan 8.310 nan 0.000 0.499 449 T N 0.545 115.052 114.554 -0.078 0.000 3.044 449 T HA 0.363 4.713 4.350 -0.000 0.000 0.260 449 T C 0.017 174.671 174.700 -0.075 0.000 1.019 449 T CA -0.311 61.743 62.100 -0.076 0.000 0.921 449 T CB -0.175 68.665 68.868 -0.046 0.000 1.053 449 T HN 0.179 nan 8.240 nan 0.000 0.533 450 V N 5.440 125.325 119.914 -0.047 0.000 2.461 450 V HA 0.406 4.526 4.120 -0.000 0.000 0.275 450 V C -1.811 174.283 176.094 -0.000 0.000 1.047 450 V CA -1.824 60.497 62.300 0.035 0.000 0.955 450 V CB 0.957 32.925 31.823 0.242 0.000 0.988 450 V HN 0.398 nan 8.190 nan 0.000 0.471 451 P HA 0.180 nan 4.420 nan 0.000 0.274 451 P C -0.589 176.806 177.300 0.159 0.000 1.246 451 P CA -0.376 62.633 63.100 -0.151 0.000 0.795 451 P CB 0.824 32.217 31.700 -0.513 0.000 1.006 452 N N 0.060 118.878 118.700 0.195 0.000 2.448 452 N HA 0.043 4.783 4.740 -0.000 0.000 0.274 452 N C 1.052 176.726 175.510 0.274 0.000 1.239 452 N CA -0.548 52.719 53.050 0.361 0.000 0.982 452 N CB 0.065 38.728 38.487 0.293 0.000 1.199 452 N HN 0.029 nan 8.380 nan 0.000 0.576 453 V N 0.642 120.685 119.914 0.215 0.000 2.287 453 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 453 V C 2.719 178.907 176.094 0.156 0.000 1.053 453 V CA 2.771 65.168 62.300 0.161 0.000 1.027 453 V CB -1.192 30.699 31.823 0.114 0.000 0.646 453 V HN 0.911 nan 8.190 nan 0.000 0.447 454 S N -0.920 114.867 115.700 0.146 0.000 2.442 454 S HA -0.257 4.213 4.470 -0.000 0.000 0.236 454 S C 1.939 176.611 174.600 0.121 0.000 1.007 454 S CA 1.657 59.924 58.200 0.112 0.000 0.965 454 S CB -0.705 62.552 63.200 0.095 0.000 0.773 454 S HN 0.699 nan 8.310 nan 0.000 0.504 455 Y N 1.844 122.177 120.300 0.055 0.000 2.184 455 Y HA 0.120 4.670 4.550 0.000 0.000 0.290 455 Y C 1.966 177.890 175.900 0.040 0.000 1.129 455 Y CA 1.249 59.373 58.100 0.041 0.000 1.144 455 Y CB -0.383 38.102 38.460 0.042 0.000 0.995 455 Y HN 0.217 nan 8.280 nan 0.000 0.513 456 I N 0.595 121.296 120.570 0.220 0.000 2.163 456 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 456 I C 2.251 178.378 176.117 0.017 0.000 1.085 456 I CA 1.991 63.365 61.300 0.124 0.000 1.347 456 I CB -0.435 37.678 38.000 0.188 0.000 1.044 456 I HN 0.366 nan 8.210 nan 0.000 0.408 457 E N 0.273 120.497 120.200 0.040 0.000 2.110 457 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 457 E C 2.022 178.599 176.600 -0.039 0.000 0.988 457 E CA 1.274 57.682 56.400 0.015 0.000 0.804 457 E CB -0.176 29.541 29.700 0.028 0.000 0.745 457 E HN 0.534 nan 8.360 nan 0.000 0.458 458 E N 1.151 121.303 120.200 -0.081 0.000 2.031 458 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 458 E C 1.925 178.432 176.600 -0.154 0.000 0.994 458 E CA 1.023 57.354 56.400 -0.115 0.000 0.800 458 E CB 0.236 29.850 29.700 -0.143 0.000 0.752 458 E HN -0.053 nan 8.360 nan 0.000 0.447 459 K N 0.520 120.765 120.400 -0.259 0.000 2.057 459 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 459 K C 2.217 178.754 176.600 -0.105 0.000 1.049 459 K CA 0.616 56.764 56.287 -0.232 0.000 0.931 459 K CB -0.625 31.659 32.500 -0.361 0.000 0.714 459 K HN 0.208 nan 8.250 nan 0.000 0.440 460 L N 2.205 123.396 121.223 -0.054 0.000 2.005 460 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 460 L C 1.468 178.338 176.870 -0.001 0.000 1.072 460 L CA 1.841 56.695 54.840 0.024 0.000 0.744 460 L CB -0.747 41.367 42.059 0.093 0.000 0.895 460 L HN 0.124 nan 8.230 nan 0.000 0.433 461 N N -0.394 118.290 118.700 -0.027 0.000 2.396 461 N HA -0.106 4.634 4.740 -0.000 0.000 0.180 461 N C 0.863 176.349 175.510 -0.040 0.000 1.028 461 N CA 0.223 53.250 53.050 -0.038 0.000 0.893 461 N CB -0.208 38.253 38.487 -0.044 0.000 0.967 461 N HN 0.569 nan 8.380 nan 0.000 0.440 462 Q N 0.000 119.771 119.800 -0.049 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 462 Q CB 0.000 28.696 28.738 -0.070 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481