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 1auk_1_A DATA FIRST_RESID 19 DATA SEQUENCE RPPNIVLIFA DDLGYGDLGC YGHPSSTTPN LDQLAAGGLR FTDFYVPVSL DATA SEQUENCE XTPSRAALLT GRLPVRMGMY PGVLVPSSRG GLPLEEVTVA EVLAARGYLT DATA SEQUENCE GMAGKWHLGV GPEGAFLPPH QGFHRFLGIP YSHDQGPcQN LTcFPPATPc DATA SEQUENCE DGGcDQGLVP IPLLANLSVE AQPPWLPGLE ARYMAFAHDL MADAQRQDRP DATA SEQUENCE FFLYYASHHT HYPQFSGQSF AERSGRGPFG DSLMELDAAV GTLMTAIGDL DATA SEQUENCE GLLEETLVIF TADNGPETMR MSRGGCSGLL RcGKGTTYEG GVREPALAFW DATA SEQUENCE PGHIAPGVTH ELASSLDLLP TLAALAGAPL PNVTLDGFDL SPLLLGTGKS DATA SEQUENCE PRQSLFFYPS YPDEVRGVFA VRTGKYKAHF FTQGSAHSDT TADPAcHASS DATA SEQUENCE SLTAHEPPLL YDLSKDPGEN YNLLGXXXXA TPEVLQALKQ LQLLKAQLDA DATA SEQUENCE AVTFGPSQVA RGEDPALQIc cHPGcTPRPA ccHcP 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.325 176.300 0.041 0.000 0.893 19 R CA 0.000 56.121 56.100 0.035 0.000 0.921 19 R CB 0.000 30.327 30.300 0.045 0.000 0.687 20 P HA 0.231 nan 4.420 nan 0.000 0.263 20 P C -2.497 174.783 177.300 -0.033 0.000 1.175 20 P CA -0.576 62.548 63.100 0.040 0.000 0.761 20 P CB 0.492 32.235 31.700 0.071 0.000 0.794 21 P HA 0.098 nan 4.420 nan 0.000 0.276 21 P C -0.616 176.528 177.300 -0.259 0.000 1.252 21 P CA -0.326 62.638 63.100 -0.227 0.000 0.802 21 P CB 0.733 32.084 31.700 -0.581 0.000 1.035 22 N N 1.192 119.637 118.700 -0.425 0.000 2.520 22 N HA 0.258 4.999 4.740 0.001 0.000 0.273 22 N C -0.043 175.181 175.510 -0.477 0.000 1.155 22 N CA -0.003 52.638 53.050 -0.682 0.000 0.967 22 N CB 0.544 38.228 38.487 -1.339 0.000 1.092 22 N HN 0.367 nan 8.380 nan 0.000 0.457 23 I N 1.219 121.654 120.570 -0.225 0.000 2.406 23 I HA 0.232 4.403 4.170 0.001 0.000 0.290 23 I C -0.213 176.033 176.117 0.215 0.000 0.999 23 I CA -0.992 60.303 61.300 -0.008 0.000 1.124 23 I CB 2.058 40.096 38.000 0.065 0.000 1.289 23 I HN 0.071 nan 8.210 nan 0.000 0.441 24 V N 8.398 128.433 119.914 0.202 0.000 2.407 24 V HA 0.473 4.593 4.120 0.001 0.000 0.291 24 V C -1.162 175.091 176.094 0.264 0.000 1.018 24 V CA -0.643 61.821 62.300 0.274 0.000 0.842 24 V CB 1.654 33.648 31.823 0.286 0.000 0.996 24 V HN 0.551 nan 8.190 nan 0.000 0.426 25 L N 8.768 130.173 121.223 0.304 0.000 2.272 25 L HA 0.620 4.960 4.340 0.001 0.000 0.284 25 L C -0.418 176.641 176.870 0.315 0.000 1.045 25 L CA 0.052 55.076 54.840 0.307 0.000 0.842 25 L CB 0.700 42.984 42.059 0.375 0.000 1.224 25 L HN 0.611 nan 8.230 nan 0.000 0.430 26 I N 4.948 125.684 120.570 0.277 0.000 2.325 26 I HA 0.234 4.405 4.170 0.001 0.000 0.291 26 I C -0.849 175.320 176.117 0.086 0.000 1.019 26 I CA -0.215 61.221 61.300 0.227 0.000 1.302 26 I CB 0.720 38.958 38.000 0.397 0.000 1.401 26 I HN 0.476 nan 8.210 nan 0.000 0.485 27 F N 6.274 126.095 119.950 -0.215 0.000 2.500 27 F HA 0.656 5.184 4.527 0.001 0.000 0.349 27 F C 0.312 175.916 175.800 -0.327 0.000 1.127 27 F CA -0.891 56.959 58.000 -0.250 0.000 0.998 27 F CB 1.050 40.047 39.000 -0.005 0.000 1.237 27 F HN 0.500 nan 8.300 nan 0.000 0.439 28 A N 3.286 125.792 122.820 -0.524 0.000 2.259 28 A HA 0.530 4.851 4.320 0.001 0.000 0.278 28 A C -0.891 176.445 177.584 -0.413 0.000 1.107 28 A CA -0.348 51.453 52.037 -0.393 0.000 0.828 28 A CB 0.391 19.241 19.000 -0.249 0.000 1.111 28 A HN 0.592 nan 8.150 nan 0.000 0.498 29 D N -0.387 119.894 120.400 -0.198 0.000 2.502 29 D HA 0.421 5.062 4.640 0.001 0.000 0.249 29 D C -1.164 175.138 176.300 0.004 0.000 1.092 29 D CA 0.132 54.080 54.000 -0.088 0.000 0.839 29 D CB 0.875 41.724 40.800 0.082 0.000 1.264 29 D HN 0.474 nan 8.370 nan 0.000 0.511 30 D N 1.504 121.893 120.400 -0.018 0.000 2.689 30 D HA -0.216 4.425 4.640 0.001 0.000 0.237 30 D C -0.732 175.610 176.300 0.071 0.000 1.148 30 D CA 0.426 54.435 54.000 0.014 0.000 0.656 30 D CB -0.921 39.875 40.800 -0.005 0.000 1.050 30 D HN 0.206 nan 8.370 nan 0.000 0.426 31 L N 0.143 121.382 121.223 0.026 0.000 2.313 31 L HA 0.679 5.019 4.340 0.001 0.000 0.283 31 L C 0.818 177.712 176.870 0.041 0.000 1.013 31 L CA -0.351 54.536 54.840 0.078 0.000 0.816 31 L CB 1.678 43.751 42.059 0.022 0.000 1.236 31 L HN 0.056 nan 8.230 nan 0.000 0.419 32 G N 2.395 111.238 108.800 0.072 0.000 2.504 32 G HA2 0.092 4.053 3.960 0.001 0.000 0.288 32 G HA3 0.092 4.053 3.960 0.001 0.000 0.288 32 G C 0.103 175.020 174.900 0.029 0.000 1.182 32 G CA -0.171 44.962 45.100 0.056 0.000 0.894 32 G HN 0.747 nan 8.290 nan 0.000 0.521 33 Y N 0.689 120.943 120.300 -0.077 0.000 2.256 33 Y HA -0.089 4.462 4.550 0.002 0.000 0.288 33 Y C 2.459 178.307 175.900 -0.087 0.000 1.155 33 Y CA 2.293 60.307 58.100 -0.143 0.000 1.203 33 Y CB 0.143 38.574 38.460 -0.049 0.000 0.980 33 Y HN 0.466 nan 8.280 nan 0.000 0.530 34 G N -1.402 107.489 108.800 0.151 0.000 3.141 34 G HA2 -0.047 3.913 3.960 0.001 0.000 0.218 34 G HA3 -0.047 3.913 3.960 0.001 0.000 0.218 34 G C 1.029 176.045 174.900 0.193 0.000 1.170 34 G CA 0.406 45.614 45.100 0.181 0.000 0.769 34 G HN 0.314 nan 8.290 nan 0.000 0.546 35 D N 0.378 120.837 120.400 0.098 0.000 2.240 35 D HA 0.061 4.702 4.640 0.001 0.000 0.206 35 D C 1.360 177.709 176.300 0.082 0.000 0.963 35 D CA 0.054 54.107 54.000 0.088 0.000 0.863 35 D CB 0.379 41.252 40.800 0.123 0.000 0.973 35 D HN 0.224 nan 8.370 nan 0.000 0.501 36 L N 0.732 121.999 121.223 0.074 0.000 2.461 36 L HA 0.112 4.452 4.340 0.001 0.000 0.272 36 L C 2.037 179.001 176.870 0.156 0.000 1.197 36 L CA -0.189 54.710 54.840 0.099 0.000 0.836 36 L CB 0.740 42.884 42.059 0.142 0.000 1.105 36 L HN 0.001 nan 8.230 nan 0.000 0.477 37 G N 1.064 109.925 108.800 0.102 0.000 2.442 37 G HA2 -0.268 3.692 3.960 0.001 0.000 0.219 37 G HA3 -0.268 3.692 3.960 0.001 0.000 0.219 37 G C 1.395 176.349 174.900 0.090 0.000 1.141 37 G CA 0.971 46.131 45.100 0.100 0.000 0.763 37 G HN 0.904 nan 8.290 nan 0.000 0.554 38 C N -1.976 117.372 119.300 0.080 0.000 2.539 38 C HA 0.426 4.887 4.460 0.001 0.000 0.271 38 C C 1.504 176.469 174.990 -0.041 0.000 1.412 38 C CA -0.627 58.400 59.018 0.016 0.000 1.729 38 C CB -1.544 26.192 27.740 -0.007 0.000 1.739 38 C HN 0.325 nan 8.230 nan 0.000 0.570 39 Y N 0.659 120.947 120.300 -0.019 0.000 2.641 39 Y HA 0.452 5.003 4.550 0.001 0.000 0.248 39 Y C 1.863 177.767 175.900 0.007 0.000 1.170 39 Y CA 0.539 58.605 58.100 -0.058 0.000 1.201 39 Y CB 0.433 38.783 38.460 -0.182 0.000 1.232 39 Y HN 0.400 nan 8.280 nan 0.000 0.537 40 G N -0.816 108.065 108.800 0.133 0.000 2.195 40 G HA2 -0.265 3.695 3.960 0.001 0.000 0.224 40 G HA3 -0.265 3.695 3.960 0.001 0.000 0.224 40 G C 0.136 175.086 174.900 0.084 0.000 0.990 40 G CA -0.184 44.973 45.100 0.094 0.000 0.639 40 G HN 0.402 nan 8.290 nan 0.000 0.514 41 H N 2.580 121.694 119.070 0.073 0.000 3.001 41 H HA 0.197 4.753 4.556 0.001 0.000 0.334 41 H C -0.753 174.600 175.328 0.042 0.000 1.034 41 H CA 0.345 56.426 56.048 0.055 0.000 1.420 41 H CB 1.626 31.424 29.762 0.061 0.000 1.405 41 H HN 0.192 nan 8.280 nan 0.000 0.593 42 P HA -0.031 nan 4.420 nan 0.000 0.231 42 P C 0.698 178.073 177.300 0.125 0.000 1.168 42 P CA 0.699 63.783 63.100 -0.026 0.000 0.779 42 P CB 0.540 32.169 31.700 -0.119 0.000 0.844 43 S N -3.369 112.565 115.700 0.390 0.000 2.728 43 S HA 0.187 4.658 4.470 0.001 0.000 0.257 43 S C 0.801 175.511 174.600 0.183 0.000 1.060 43 S CA -0.291 58.054 58.200 0.241 0.000 1.126 43 S CB -0.478 62.835 63.200 0.188 0.000 1.099 43 S HN -0.120 nan 8.310 nan 0.000 0.617 44 S N 2.519 118.325 115.700 0.178 0.000 2.566 44 S HA 0.338 4.809 4.470 0.001 0.000 0.280 44 S C -0.129 174.488 174.600 0.029 0.000 1.343 44 S CA 0.223 58.422 58.200 -0.001 0.000 1.036 44 S CB 0.529 63.687 63.200 -0.071 0.000 0.866 44 S HN 0.472 nan 8.310 nan 0.000 0.526 45 T N 2.228 116.775 114.554 -0.011 0.000 2.912 45 T HA 0.460 4.811 4.350 0.001 0.000 0.326 45 T C 0.056 174.727 174.700 -0.048 0.000 1.080 45 T CA -0.684 61.408 62.100 -0.012 0.000 1.000 45 T CB 0.571 69.438 68.868 -0.002 0.000 1.008 45 T HN 0.703 nan 8.240 nan 0.000 0.473 46 T N 0.193 114.721 114.554 -0.043 0.000 3.732 46 T HA 0.296 4.647 4.350 0.001 0.000 0.234 46 T C -2.083 172.576 174.700 -0.067 0.000 1.146 46 T CA -1.375 60.678 62.100 -0.078 0.000 1.454 46 T CB 0.810 69.626 68.868 -0.087 0.000 0.910 46 T HN 0.133 nan 8.240 nan 0.000 0.640 47 P HA -0.099 nan 4.420 nan 0.000 0.216 47 P C 1.065 178.329 177.300 -0.060 0.000 1.153 47 P CA 1.273 64.350 63.100 -0.038 0.000 0.848 47 P CB 0.044 31.734 31.700 -0.016 0.000 0.787 48 N N -0.313 118.338 118.700 -0.080 0.000 2.188 48 N HA -0.063 4.677 4.740 0.001 0.000 0.184 48 N C 1.914 177.333 175.510 -0.151 0.000 1.018 48 N CA 0.786 53.774 53.050 -0.103 0.000 0.858 48 N CB -0.777 37.653 38.487 -0.094 0.000 0.989 48 N HN 0.094 nan 8.380 nan 0.000 0.426 49 L N 0.464 121.575 121.223 -0.187 0.000 2.109 49 L HA -0.111 4.230 4.340 0.001 0.000 0.207 49 L C 1.371 178.157 176.870 -0.140 0.000 1.086 49 L CA 0.911 55.603 54.840 -0.246 0.000 0.760 49 L CB -0.241 41.585 42.059 -0.388 0.000 0.910 49 L HN 0.144 nan 8.230 nan 0.000 0.437 50 D N -0.408 119.939 120.400 -0.089 0.000 2.117 50 D HA -0.245 4.395 4.640 0.001 0.000 0.197 50 D C 2.093 178.372 176.300 -0.035 0.000 0.987 50 D CA 1.092 55.066 54.000 -0.043 0.000 0.829 50 D CB -0.056 40.729 40.800 -0.025 0.000 0.961 50 D HN 0.318 nan 8.370 nan 0.000 0.460 51 Q N -0.135 119.635 119.800 -0.050 0.000 2.167 51 Q HA -0.046 4.295 4.340 0.001 0.000 0.202 51 Q C 2.235 178.207 176.000 -0.048 0.000 0.970 51 Q CA 0.453 56.236 55.803 -0.033 0.000 0.855 51 Q CB 0.018 28.735 28.738 -0.035 0.000 0.911 51 Q HN 0.264 nan 8.270 nan 0.000 0.438 52 L N -0.038 121.105 121.223 -0.133 0.000 2.093 52 L HA -0.160 4.181 4.340 0.001 0.000 0.208 52 L C 2.377 179.277 176.870 0.051 0.000 1.085 52 L CA 1.185 55.906 54.840 -0.198 0.000 0.755 52 L CB -0.646 41.254 42.059 -0.265 0.000 0.904 52 L HN 0.330 nan 8.230 nan 0.000 0.435 53 A N -0.082 122.756 122.820 0.030 0.000 1.877 53 A HA -0.175 4.145 4.320 0.001 0.000 0.216 53 A C 2.457 180.088 177.584 0.078 0.000 1.186 53 A CA 1.637 53.714 52.037 0.066 0.000 0.620 53 A CB -0.685 18.324 19.000 0.016 0.000 0.822 53 A HN 0.430 nan 8.150 nan 0.000 0.443 54 A N -0.994 121.860 122.820 0.057 0.000 2.076 54 A HA 0.153 4.474 4.320 0.001 0.000 0.220 54 A C 1.977 179.628 177.584 0.112 0.000 1.160 54 A CA 1.766 53.840 52.037 0.061 0.000 0.653 54 A CB -0.794 18.232 19.000 0.042 0.000 0.801 54 A HN 0.906 nan 8.150 nan 0.000 0.455 55 G N -1.961 106.965 108.800 0.209 0.000 3.453 55 G HA2 0.484 4.445 3.960 0.001 0.000 0.263 55 G HA3 0.484 4.445 3.960 0.001 0.000 0.263 55 G C 0.416 175.493 174.900 0.294 0.000 1.060 55 G CA 0.704 45.971 45.100 0.278 0.000 0.793 55 G HN 0.835 nan 8.290 nan 0.000 0.532 56 G N -0.461 108.508 108.800 0.281 0.000 3.058 56 G HA2 0.492 4.453 3.960 0.001 0.000 0.282 56 G HA3 0.492 4.453 3.960 0.001 0.000 0.282 56 G C -1.698 173.290 174.900 0.146 0.000 1.248 56 G CA -0.746 44.503 45.100 0.247 0.000 0.822 56 G HN 0.188 nan 8.290 nan 0.000 0.579 57 L N 0.883 122.200 121.223 0.156 0.000 2.264 57 L HA 0.647 4.988 4.340 0.001 0.000 0.289 57 L C 0.468 177.414 176.870 0.127 0.000 1.044 57 L CA -0.663 54.214 54.840 0.062 0.000 0.807 57 L CB 1.133 43.197 42.059 0.008 0.000 1.192 57 L HN 0.518 nan 8.230 nan 0.000 0.425 58 R N 4.263 124.783 120.500 0.034 0.000 2.295 58 R HA 0.451 4.792 4.340 0.001 0.000 0.324 58 R C -1.374 174.979 176.300 0.088 0.000 0.968 58 R CA -0.536 55.635 56.100 0.119 0.000 0.837 58 R CB 0.590 30.882 30.300 -0.012 0.000 1.133 58 R HN 0.405 nan 8.270 nan 0.000 0.450 59 F N 2.109 122.144 119.950 0.141 0.000 2.396 59 F HA 0.195 4.722 4.527 0.001 0.000 0.343 59 F C 1.663 177.632 175.800 0.280 0.000 1.104 59 F CA -0.384 57.738 58.000 0.204 0.000 1.161 59 F CB 2.027 41.197 39.000 0.284 0.000 1.146 59 F HN 0.616 nan 8.300 nan 0.000 0.522 60 T N -3.312 111.498 114.554 0.426 0.000 3.037 60 T HA 0.121 4.472 4.350 0.001 0.000 0.252 60 T C 0.223 175.234 174.700 0.519 0.000 1.073 60 T CA 0.279 62.680 62.100 0.502 0.000 1.091 60 T CB -0.164 68.980 68.868 0.461 0.000 0.935 60 T HN 0.381 nan 8.240 nan 0.000 0.488 61 D N 0.809 121.484 120.400 0.459 0.000 2.886 61 D HA 0.391 5.031 4.640 0.001 0.000 0.355 61 D C -1.423 175.103 176.300 0.377 0.000 1.274 61 D CA -0.495 53.711 54.000 0.344 0.000 0.836 61 D CB 0.090 41.132 40.800 0.404 0.000 1.109 61 D HN 0.363 nan 8.370 nan 0.000 0.488 62 F N 1.188 121.219 119.950 0.136 0.000 2.443 62 F HA 0.573 5.101 4.527 0.001 0.000 0.335 62 F C -1.121 174.648 175.800 -0.052 0.000 1.104 62 F CA -0.606 57.471 58.000 0.128 0.000 1.013 62 F CB 0.723 39.748 39.000 0.041 0.000 1.136 62 F HN -0.077 nan 8.300 nan 0.000 0.470 63 Y N 3.510 123.631 120.300 -0.298 0.000 2.605 63 Y HA 0.632 5.182 4.550 0.001 0.000 0.343 63 Y C -0.563 175.281 175.900 -0.093 0.000 1.036 63 Y CA -1.129 56.957 58.100 -0.023 0.000 1.065 63 Y CB 1.943 40.486 38.460 0.138 0.000 1.288 63 Y HN 0.538 nan 8.280 nan 0.000 0.481 64 V N -0.806 119.295 119.914 0.311 0.000 2.815 64 V HA 0.575 4.695 4.120 0.001 0.000 0.314 64 V C -2.511 173.771 176.094 0.312 0.000 1.064 64 V CA -2.329 60.113 62.300 0.238 0.000 0.952 64 V CB 1.955 33.920 31.823 0.237 0.000 1.020 64 V HN 0.638 nan 8.190 nan 0.000 0.439 65 P HA 0.151 nan 4.420 nan 0.000 0.227 65 P C 0.110 177.574 177.300 0.274 0.000 1.161 65 P CA 0.443 63.649 63.100 0.176 0.000 0.788 65 P CB 0.461 32.193 31.700 0.054 0.000 0.822 66 V N 0.254 120.287 119.914 0.199 0.000 2.733 66 V HA 0.214 4.335 4.120 0.001 0.000 0.306 66 V C 0.206 176.364 176.094 0.107 0.000 1.084 66 V CA -0.582 61.803 62.300 0.142 0.000 0.905 66 V CB 2.034 33.891 31.823 0.057 0.000 1.010 66 V HN 0.022 nan 8.190 nan 0.000 0.424 67 S N 5.745 121.498 115.700 0.089 0.000 3.548 67 S HA 0.673 5.144 4.470 0.001 0.000 0.195 67 S C -0.444 174.155 174.600 -0.002 0.000 1.432 67 S CA -0.296 57.938 58.200 0.057 0.000 1.087 67 S CB -0.444 62.796 63.200 0.067 0.000 1.337 67 S HN 0.525 nan 8.310 nan 0.000 0.505 71 P HA -0.088 nan 4.420 nan 0.000 0.216 71 P C 1.625 178.881 177.300 -0.072 0.000 1.150 71 P CA 1.496 64.517 63.100 -0.132 0.000 0.843 71 P CB -0.069 31.562 31.700 -0.116 0.000 0.787 72 S N -0.730 114.961 115.700 -0.015 0.000 2.368 72 S HA -0.089 4.382 4.470 0.001 0.000 0.224 72 S C 2.110 176.781 174.600 0.117 0.000 1.029 72 S CA 0.856 59.107 58.200 0.084 0.000 0.988 72 S CB -0.487 62.795 63.200 0.136 0.000 0.838 72 S HN 0.008 nan 8.310 nan 0.000 0.462 73 R N 0.698 121.250 120.500 0.087 0.000 2.092 73 R HA 0.114 4.455 4.340 0.001 0.000 0.231 73 R C 2.576 178.807 176.300 -0.115 0.000 1.119 73 R CA 1.237 57.369 56.100 0.052 0.000 0.970 73 R CB -0.496 29.825 30.300 0.035 0.000 0.864 73 R HN 0.462 nan 8.270 nan 0.000 0.440 74 A N 0.984 123.713 122.820 -0.152 0.000 1.902 74 A HA -0.097 4.223 4.320 0.001 0.000 0.217 74 A C 2.329 179.831 177.584 -0.137 0.000 1.181 74 A CA 1.658 53.591 52.037 -0.174 0.000 0.623 74 A CB -0.719 18.169 19.000 -0.186 0.000 0.818 74 A HN 0.386 nan 8.150 nan 0.000 0.443 75 A N -0.533 122.225 122.820 -0.103 0.000 1.898 75 A HA -0.010 4.311 4.320 0.001 0.000 0.216 75 A C 2.140 179.661 177.584 -0.105 0.000 1.181 75 A CA 1.663 53.645 52.037 -0.090 0.000 0.620 75 A CB -0.626 18.345 19.000 -0.048 0.000 0.819 75 A HN 0.657 nan 8.150 nan 0.000 0.442 76 L N -0.202 120.950 121.223 -0.119 0.000 2.012 76 L HA -0.126 4.215 4.340 0.001 0.000 0.210 76 L C 2.269 179.006 176.870 -0.221 0.000 1.073 76 L CA 1.847 56.566 54.840 -0.201 0.000 0.748 76 L CB -0.359 41.457 42.059 -0.405 0.000 0.891 76 L HN 0.404 nan 8.230 nan 0.000 0.431 77 L N -1.245 119.848 121.223 -0.216 0.000 2.217 77 L HA -0.085 4.255 4.340 0.001 0.000 0.211 77 L C 2.194 178.975 176.870 -0.148 0.000 1.107 77 L CA 1.441 56.169 54.840 -0.187 0.000 0.783 77 L CB -0.854 41.128 42.059 -0.128 0.000 0.919 77 L HN 0.527 nan 8.230 nan 0.000 0.442 78 T N -4.740 109.733 114.554 -0.134 0.000 3.014 78 T HA 0.208 4.559 4.350 0.001 0.000 0.250 78 T C 1.438 176.063 174.700 -0.126 0.000 1.060 78 T CA 0.465 62.492 62.100 -0.121 0.000 1.040 78 T CB 0.632 69.435 68.868 -0.109 0.000 0.971 78 T HN 0.361 nan 8.240 nan 0.000 0.497 79 G N 1.593 110.316 108.800 -0.129 0.000 2.198 79 G HA2 -0.252 3.708 3.960 0.001 0.000 0.260 79 G HA3 -0.252 3.708 3.960 0.001 0.000 0.260 79 G C -0.046 174.775 174.900 -0.132 0.000 1.025 79 G CA 0.085 45.107 45.100 -0.129 0.000 0.769 79 G HN 0.737 nan 8.290 nan 0.000 0.507 80 R N -1.215 119.211 120.500 -0.124 0.000 2.686 80 R HA 0.615 4.956 4.340 0.001 0.000 0.283 80 R C 0.482 176.707 176.300 -0.125 0.000 0.978 80 R CA -1.020 55.004 56.100 -0.126 0.000 0.897 80 R CB 1.357 31.584 30.300 -0.121 0.000 1.192 80 R HN 0.156 nan 8.270 nan 0.000 0.457 81 L N 4.271 125.417 121.223 -0.129 0.000 2.540 81 L HA 0.052 4.393 4.340 0.001 0.000 0.276 81 L C -1.289 175.458 176.870 -0.205 0.000 1.212 81 L CA -1.108 53.649 54.840 -0.138 0.000 0.893 81 L CB 0.559 42.541 42.059 -0.127 0.000 1.138 81 L HN 0.430 nan 8.230 nan 0.000 0.491 82 P HA -0.170 nan 4.420 nan 0.000 0.219 82 P C 1.530 178.647 177.300 -0.304 0.000 1.146 82 P CA 0.955 63.919 63.100 -0.226 0.000 0.808 82 P CB -0.011 31.574 31.700 -0.192 0.000 0.779 83 V N -2.460 117.120 119.914 -0.558 0.000 2.809 83 V HA -0.093 4.028 4.120 0.001 0.000 0.256 83 V C 2.194 178.018 176.094 -0.449 0.000 1.080 83 V CA 1.171 62.999 62.300 -0.788 0.000 1.102 83 V CB -1.368 29.378 31.823 -1.794 0.000 0.705 83 V HN -0.015 nan 8.190 nan 0.000 0.475 84 R N 0.882 121.195 120.500 -0.311 0.000 2.115 84 R HA 0.061 4.402 4.340 0.001 0.000 0.230 84 R C 1.342 177.578 176.300 -0.107 0.000 1.111 84 R CA 1.863 57.861 56.100 -0.171 0.000 0.976 84 R CB -0.301 29.914 30.300 -0.141 0.000 0.870 84 R HN 0.658 nan 8.270 nan 0.000 0.445 85 M N -1.435 118.094 119.600 -0.118 0.000 2.771 85 M HA 0.424 4.905 4.480 0.001 0.000 0.341 85 M C 0.513 176.742 176.300 -0.118 0.000 1.226 85 M CA -0.038 55.202 55.300 -0.100 0.000 0.955 85 M CB 1.099 33.635 32.600 -0.107 0.000 1.318 85 M HN 0.096 nan 8.290 nan 0.000 0.514 86 G N 0.836 109.587 108.800 -0.082 0.000 2.179 86 G HA2 -0.204 3.757 3.960 0.001 0.000 0.257 86 G HA3 -0.204 3.757 3.960 0.001 0.000 0.257 86 G C 0.135 174.822 174.900 -0.355 0.000 1.010 86 G CA 0.087 45.057 45.100 -0.218 0.000 0.736 86 G HN 0.454 nan 8.290 nan 0.000 0.513 87 M N 0.300 119.786 119.600 -0.190 0.000 3.690 87 M HA 0.446 4.927 4.480 0.001 0.000 0.209 87 M C 0.146 176.361 176.300 -0.142 0.000 1.403 87 M CA -0.441 54.728 55.300 -0.217 0.000 1.621 87 M CB -1.696 30.782 32.600 -0.204 0.000 1.056 87 M HN 0.591 nan 8.290 nan 0.000 0.593 88 Y N -1.057 119.082 120.300 -0.269 0.000 2.677 88 Y HA 0.847 5.398 4.550 0.001 0.000 0.334 88 Y C -3.338 172.424 175.900 -0.230 0.000 1.196 88 Y CA -2.387 55.542 58.100 -0.285 0.000 1.059 88 Y CB 0.469 38.741 38.460 -0.313 0.000 1.315 88 Y HN 0.035 nan 8.280 nan 0.000 0.455 89 P HA 0.458 nan 4.420 nan 0.000 0.297 89 P C 0.575 177.614 177.300 -0.435 0.000 1.307 89 P CA 0.883 63.809 63.100 -0.289 0.000 0.773 89 P CB 1.025 32.457 31.700 -0.447 0.000 1.265 90 G N -0.915 107.484 108.800 -0.667 0.000 2.582 90 G HA2 -0.136 3.825 3.960 0.001 0.000 0.300 90 G HA3 -0.136 3.825 3.960 0.001 0.000 0.300 90 G C -0.096 174.680 174.900 -0.205 0.000 1.300 90 G CA 0.826 45.716 45.100 -0.349 0.000 0.959 90 G HN 0.766 nan 8.290 nan 0.000 0.548 91 V N -2.509 117.332 119.914 -0.122 0.000 3.158 91 V HA 0.840 4.961 4.120 0.001 0.000 0.315 91 V C 0.770 176.799 176.094 -0.108 0.000 1.148 91 V CA -1.243 60.949 62.300 -0.179 0.000 1.042 91 V CB 1.630 33.365 31.823 -0.146 0.000 1.101 91 V HN 0.932 nan 8.190 nan 0.000 0.448 92 L N 1.831 122.972 121.223 -0.136 0.000 2.418 92 L HA 0.662 5.003 4.340 0.001 0.000 0.265 92 L C 0.100 177.057 176.870 0.145 0.000 1.143 92 L CA -0.443 54.403 54.840 0.010 0.000 0.809 92 L CB 1.552 43.623 42.059 0.021 0.000 1.124 92 L HN 0.810 nan 8.230 nan 0.000 0.456 93 V N -0.319 119.620 119.914 0.041 0.000 3.103 93 V HA 0.472 4.592 4.120 0.001 0.000 0.318 93 V C -2.200 173.809 176.094 -0.142 0.000 1.114 93 V CA -1.606 60.657 62.300 -0.062 0.000 1.020 93 V CB 1.162 32.954 31.823 -0.052 0.000 1.085 93 V HN 0.508 nan 8.190 nan 0.000 0.446 94 P HA -0.075 nan 4.420 nan 0.000 0.216 94 P C 1.356 178.640 177.300 -0.027 0.000 1.153 94 P CA 1.813 64.720 63.100 -0.322 0.000 0.858 94 P CB 0.063 31.474 31.700 -0.482 0.000 0.789 95 S N -1.281 114.405 115.700 -0.023 0.000 2.650 95 S HA 0.086 4.557 4.470 0.001 0.000 0.219 95 S C 0.728 175.355 174.600 0.046 0.000 0.960 95 S CA 0.041 58.257 58.200 0.027 0.000 0.925 95 S CB -0.734 62.475 63.200 0.015 0.000 0.775 95 S HN 0.084 nan 8.310 nan 0.000 0.525 96 S N 1.953 117.683 115.700 0.050 0.000 2.549 96 S HA 0.135 4.606 4.470 0.001 0.000 0.286 96 S C 1.296 175.957 174.600 0.101 0.000 1.314 96 S CA -0.267 57.966 58.200 0.056 0.000 1.062 96 S CB 0.612 63.837 63.200 0.042 0.000 0.865 96 S HN 0.446 nan 8.310 nan 0.000 0.498 97 R N 1.896 122.448 120.500 0.087 0.000 2.127 97 R HA 0.059 4.400 4.340 0.001 0.000 0.217 97 R C 1.390 177.819 176.300 0.215 0.000 1.074 97 R CA 0.535 56.718 56.100 0.137 0.000 0.991 97 R CB -0.187 30.167 30.300 0.091 0.000 0.895 97 R HN 0.647 nan 8.270 nan 0.000 0.450 98 G N -0.178 108.665 108.800 0.073 0.000 2.547 98 G HA2 0.514 4.475 3.960 0.001 0.000 0.291 98 G HA3 0.514 4.475 3.960 0.001 0.000 0.291 98 G C -0.384 174.301 174.900 -0.357 0.000 1.211 98 G CA 0.057 45.114 45.100 -0.071 0.000 0.950 98 G HN 0.310 nan 8.290 nan 0.000 0.504 99 G N -1.725 106.550 108.800 -0.875 0.000 2.495 99 G HA2 0.496 4.456 3.960 0.001 0.000 0.294 99 G HA3 0.496 4.456 3.960 0.001 0.000 0.294 99 G C -1.442 172.975 174.900 -0.806 0.000 1.397 99 G CA -0.909 43.542 45.100 -1.082 0.000 0.790 99 G HN 0.938 nan 8.290 nan 0.000 0.486 100 L N 1.773 122.706 121.223 -0.483 0.000 2.654 100 L HA 0.341 4.682 4.340 0.001 0.000 0.271 100 L C -1.778 175.000 176.870 -0.153 0.000 1.169 100 L CA -0.901 53.783 54.840 -0.260 0.000 0.947 100 L CB -0.142 41.828 42.059 -0.149 0.000 1.232 100 L HN 0.195 nan 8.230 nan 0.000 0.486 101 P HA -0.095 nan 4.420 nan 0.000 0.263 101 P C 0.752 178.115 177.300 0.105 0.000 1.168 101 P CA 0.351 63.469 63.100 0.030 0.000 0.759 101 P CB 0.477 32.174 31.700 -0.004 0.000 0.782 102 L N 2.480 123.812 121.223 0.181 0.000 2.201 102 L HA -0.186 4.155 4.340 0.001 0.000 0.212 102 L C 2.026 178.945 176.870 0.080 0.000 1.105 102 L CA 1.475 56.405 54.840 0.150 0.000 0.775 102 L CB -0.785 41.352 42.059 0.131 0.000 0.913 102 L HN 0.440 nan 8.230 nan 0.000 0.440 103 E N -0.762 119.470 120.200 0.052 0.000 2.268 103 E HA -0.096 4.255 4.350 0.001 0.000 0.195 103 E C 0.354 176.961 176.600 0.010 0.000 0.995 103 E CA 0.342 56.756 56.400 0.024 0.000 0.836 103 E CB -0.278 29.430 29.700 0.012 0.000 0.763 103 E HN 0.285 nan 8.360 nan 0.000 0.491 104 E N 1.453 121.658 120.200 0.009 0.000 2.452 104 E HA 0.043 4.394 4.350 0.001 0.000 0.261 104 E C -0.401 176.194 176.600 -0.009 0.000 0.987 104 E CA 0.018 56.411 56.400 -0.013 0.000 0.926 104 E CB 1.280 30.967 29.700 -0.022 0.000 0.934 104 E HN -0.016 nan 8.360 nan 0.000 0.452 105 V N 3.502 123.396 119.914 -0.033 0.000 2.407 105 V HA 0.196 4.317 4.120 0.001 0.000 0.278 105 V C 0.874 176.928 176.094 -0.066 0.000 1.037 105 V CA -0.528 61.745 62.300 -0.045 0.000 0.900 105 V CB 1.234 33.023 31.823 -0.058 0.000 0.983 105 V HN 0.786 nan 8.190 nan 0.000 0.459 106 T N 1.152 115.664 114.554 -0.070 0.000 2.923 106 T HA 0.427 4.778 4.350 0.001 0.000 0.281 106 T C 1.236 175.827 174.700 -0.181 0.000 0.995 106 T CA -0.055 61.987 62.100 -0.097 0.000 0.985 106 T CB 1.622 70.472 68.868 -0.031 0.000 1.114 106 T HN 0.391 nan 8.240 nan 0.000 0.548 107 V N -0.086 119.693 119.914 -0.225 0.000 2.427 107 V HA 0.032 4.152 4.120 0.001 0.000 0.248 107 V C 3.134 178.953 176.094 -0.458 0.000 1.051 107 V CA 1.589 63.676 62.300 -0.355 0.000 1.048 107 V CB -2.148 29.397 31.823 -0.463 0.000 0.666 107 V HN 1.024 nan 8.190 nan 0.000 0.456 108 A N 0.584 123.156 122.820 -0.414 0.000 1.908 108 A HA -0.245 4.076 4.320 0.001 0.000 0.218 108 A C 2.203 179.554 177.584 -0.388 0.000 1.181 108 A CA 2.095 53.829 52.037 -0.505 0.000 0.627 108 A CB -0.585 17.716 19.000 -1.165 0.000 0.818 108 A HN 0.658 nan 8.150 nan 0.000 0.445 109 E N -0.503 119.522 120.200 -0.292 0.000 2.106 109 E HA -0.095 4.256 4.350 0.001 0.000 0.192 109 E C 1.949 178.451 176.600 -0.164 0.000 0.984 109 E CA 1.082 57.371 56.400 -0.185 0.000 0.806 109 E CB -0.257 29.372 29.700 -0.118 0.000 0.750 109 E HN 0.382 nan 8.360 nan 0.000 0.458 110 V N 1.119 120.910 119.914 -0.205 0.000 2.332 110 V HA -0.245 3.876 4.120 0.001 0.000 0.248 110 V C 2.016 177.985 176.094 -0.209 0.000 1.055 110 V CA 1.357 63.542 62.300 -0.192 0.000 1.038 110 V CB -0.263 31.424 31.823 -0.225 0.000 0.651 110 V HN 0.232 nan 8.190 nan 0.000 0.450 111 L N -0.175 120.855 121.223 -0.321 0.000 2.270 111 L HA 0.146 4.486 4.340 0.001 0.000 0.210 111 L C 2.487 179.323 176.870 -0.057 0.000 1.104 111 L CA 1.724 56.350 54.840 -0.356 0.000 0.804 111 L CB -1.507 40.081 42.059 -0.785 0.000 0.937 111 L HN 0.270 nan 8.230 nan 0.000 0.450 112 A N -0.219 122.560 122.820 -0.068 0.000 1.873 112 A HA -0.082 4.239 4.320 0.001 0.000 0.215 112 A C 2.351 179.993 177.584 0.096 0.000 1.186 112 A CA 1.453 53.520 52.037 0.051 0.000 0.616 112 A CB -0.794 18.181 19.000 -0.041 0.000 0.823 112 A HN 0.319 nan 8.150 nan 0.000 0.442 113 A N -1.130 121.709 122.820 0.032 0.000 2.259 113 A HA -0.028 4.293 4.320 0.001 0.000 0.212 113 A C 1.959 179.572 177.584 0.048 0.000 1.178 113 A CA 1.714 53.772 52.037 0.035 0.000 0.734 113 A CB -0.379 18.622 19.000 0.002 0.000 0.774 113 A HN 0.412 nan 8.150 nan 0.000 0.481 114 R N -1.341 119.207 120.500 0.080 0.000 2.437 114 R HA 0.306 4.647 4.340 0.001 0.000 0.257 114 R C 0.942 177.329 176.300 0.146 0.000 0.927 114 R CA 0.904 57.069 56.100 0.108 0.000 1.078 114 R CB -0.152 30.221 30.300 0.120 0.000 1.161 114 R HN 0.679 nan 8.270 nan 0.000 0.529 115 G N -0.284 108.606 108.800 0.150 0.000 2.131 115 G HA2 -0.291 3.669 3.960 0.001 0.000 0.223 115 G HA3 -0.291 3.669 3.960 0.001 0.000 0.223 115 G C -0.583 174.396 174.900 0.132 0.000 0.990 115 G CA 0.018 45.188 45.100 0.117 0.000 0.671 115 G HN 0.245 nan 8.290 nan 0.000 0.521 116 Y N -0.895 119.450 120.300 0.074 0.000 2.346 116 Y HA 0.515 5.065 4.550 0.001 0.000 0.330 116 Y C 0.766 176.794 175.900 0.213 0.000 1.178 116 Y CA -0.617 57.545 58.100 0.103 0.000 1.331 116 Y CB 1.188 39.683 38.460 0.059 0.000 1.253 116 Y HN 0.261 nan 8.280 nan 0.000 0.529 117 L N 4.914 126.342 121.223 0.341 0.000 2.283 117 L HA 0.348 4.689 4.340 0.001 0.000 0.287 117 L C 0.050 177.176 176.870 0.427 0.000 1.073 117 L CA -0.192 54.901 54.840 0.422 0.000 0.822 117 L CB -0.204 42.005 42.059 0.249 0.000 1.186 117 L HN 0.665 nan 8.230 nan 0.000 0.436 118 T N 1.921 116.672 114.554 0.328 0.000 2.829 118 T HA 0.889 5.240 4.350 0.001 0.000 0.282 118 T C 0.091 174.959 174.700 0.280 0.000 0.990 118 T CA -0.236 61.999 62.100 0.225 0.000 1.028 118 T CB 1.497 70.352 68.868 -0.022 0.000 0.951 118 T HN 0.886 nan 8.240 nan 0.000 0.460 119 G N 1.979 110.974 108.800 0.325 0.000 2.659 119 G HA2 0.632 4.593 3.960 0.001 0.000 0.296 119 G HA3 0.632 4.593 3.960 0.001 0.000 0.296 119 G C -1.535 173.592 174.900 0.378 0.000 1.369 119 G CA -1.075 44.272 45.100 0.411 0.000 0.937 119 G HN 0.983 nan 8.290 nan 0.000 0.485 120 M N 1.675 121.440 119.600 0.276 0.000 2.263 120 M HA 0.733 5.214 4.480 0.001 0.000 0.295 120 M C -0.997 175.212 176.300 -0.152 0.000 1.028 120 M CA -0.752 54.504 55.300 -0.074 0.000 0.921 120 M CB 1.991 34.180 32.600 -0.686 0.000 1.601 120 M HN 0.767 nan 8.290 nan 0.000 0.440 121 A N 3.620 126.254 122.820 -0.311 0.000 2.337 121 A HA 0.986 5.306 4.320 0.001 0.000 0.329 121 A C 0.228 177.394 177.584 -0.697 0.000 1.146 121 A CA 0.264 51.868 52.037 -0.722 0.000 0.800 121 A CB 0.943 19.524 19.000 -0.699 0.000 1.220 121 A HN 1.618 nan 8.150 nan 0.000 0.472 122 G N 0.884 109.157 108.800 -0.879 0.000 2.451 122 G HA2 -0.058 3.903 3.960 0.001 0.000 0.208 122 G HA3 -0.058 3.903 3.960 0.001 0.000 0.208 122 G C -0.059 174.753 174.900 -0.146 0.000 1.248 122 G CA -0.070 44.681 45.100 -0.582 0.000 0.989 122 G HN 1.154 nan 8.290 nan 0.000 0.559 123 K N 0.611 120.872 120.400 -0.232 0.000 2.379 123 K HA 0.292 4.613 4.320 0.001 0.000 0.284 123 K C 1.089 177.789 176.600 0.165 0.000 1.044 123 K CA 0.050 56.366 56.287 0.048 0.000 0.974 123 K CB 0.260 32.747 32.500 -0.021 0.000 0.962 123 K HN 0.602 nan 8.250 nan 0.000 0.474 124 W N 4.881 126.200 121.300 0.031 0.000 2.848 124 W HA -0.058 4.603 4.660 0.002 0.000 0.288 124 W C 0.187 176.806 176.519 0.167 0.000 1.060 124 W CA 1.030 58.389 57.345 0.023 0.000 1.712 124 W CB -0.043 29.368 29.460 -0.083 0.000 1.155 124 W HN 0.980 nan 8.180 nan 0.000 0.540 125 H N 0.036 119.126 119.070 0.034 0.000 2.921 125 H HA -0.209 4.348 4.556 0.001 0.000 0.281 125 H C 0.419 175.544 175.328 -0.338 0.000 1.165 125 H CA 0.659 56.675 56.048 -0.053 0.000 1.151 125 H CB -1.194 28.564 29.762 -0.006 0.000 1.311 125 H HN 0.145 nan 8.280 nan 0.000 0.361 126 L N 0.219 120.989 121.223 -0.756 0.000 2.910 126 L HA 0.384 4.724 4.340 0.001 0.000 0.252 126 L C 1.131 177.898 176.870 -0.171 0.000 1.195 126 L CA 0.517 54.918 54.840 -0.731 0.000 1.003 126 L CB 1.097 42.346 42.059 -1.349 0.000 1.328 126 L HN 0.494 nan 8.230 nan 0.000 0.540 127 G N -1.006 107.893 108.800 0.164 0.000 2.576 127 G HA2 -0.007 3.954 3.960 0.001 0.000 0.686 127 G HA3 -0.007 3.954 3.960 0.001 0.000 0.686 127 G C -0.463 174.789 174.900 0.588 0.000 1.242 127 G CA -0.497 44.784 45.100 0.302 0.000 0.819 127 G HN -0.273 nan 8.290 nan 0.000 0.655 128 V N 1.385 121.619 119.914 0.533 0.000 3.264 128 V HA 0.805 4.926 4.120 0.001 0.000 0.217 128 V C 2.007 178.337 176.094 0.394 0.000 1.236 128 V CA 1.902 64.455 62.300 0.423 0.000 1.287 128 V CB -0.193 31.833 31.823 0.339 0.000 1.241 128 V HN 2.945 nan 8.190 nan 0.000 0.518 129 G N 1.879 110.905 108.800 0.377 0.000 2.829 129 G HA2 -0.129 3.832 3.960 0.001 0.000 0.628 129 G HA3 -0.129 3.832 3.960 0.001 0.000 0.628 129 G C -2.654 172.266 174.900 0.033 0.000 1.412 129 G CA -0.353 44.870 45.100 0.204 0.000 0.864 129 G HN 0.407 nan 8.290 nan 0.000 0.544 130 P HA 0.399 nan 4.420 nan 0.000 0.260 130 P C 0.518 177.781 177.300 -0.062 0.000 1.207 130 P CA 2.075 65.151 63.100 -0.041 0.000 0.780 130 P CB -0.130 31.534 31.700 -0.059 0.000 0.789 131 E N 2.174 122.368 120.200 -0.010 0.000 2.637 131 E HA -0.170 4.181 4.350 0.001 0.000 0.265 131 E C 0.952 177.568 176.600 0.026 0.000 1.073 131 E CA 1.481 57.884 56.400 0.004 0.000 0.778 131 E CB -2.640 27.052 29.700 -0.013 0.000 1.362 131 E HN 1.054 nan 8.360 nan 0.000 0.413 132 G N -2.572 106.252 108.800 0.039 0.000 2.273 132 G HA2 0.070 4.030 3.960 0.001 0.000 0.280 132 G HA3 0.070 4.030 3.960 0.001 0.000 0.280 132 G C 1.304 176.268 174.900 0.106 0.000 1.047 132 G CA 1.357 46.508 45.100 0.087 0.000 0.869 132 G HN 2.234 nan 8.290 nan 0.000 0.502 133 A N -1.021 121.731 122.820 -0.113 0.000 2.067 133 A HA 0.349 4.670 4.320 0.001 0.000 0.219 133 A C 1.721 179.230 177.584 -0.125 0.000 1.158 133 A CA 1.891 53.740 52.037 -0.314 0.000 0.661 133 A CB -0.247 18.389 19.000 -0.606 0.000 0.801 133 A HN 0.674 nan 8.150 nan 0.000 0.452 134 F N -0.493 119.570 119.950 0.187 0.000 2.727 134 F HA 0.346 4.874 4.527 0.002 0.000 0.302 134 F C 0.746 176.695 175.800 0.248 0.000 1.097 134 F CA -0.899 57.248 58.000 0.246 0.000 1.330 134 F CB -0.525 38.629 39.000 0.257 0.000 1.084 134 F HN -0.017 nan 8.300 nan 0.000 0.578 135 L N 1.515 122.859 121.223 0.202 0.000 2.479 135 L HA 0.024 4.365 4.340 0.001 0.000 0.270 135 L C -0.781 175.709 176.870 -0.634 0.000 1.236 135 L CA -1.426 53.209 54.840 -0.341 0.000 0.823 135 L CB 0.008 41.907 42.059 -0.267 0.000 1.098 135 L HN -0.151 nan 8.230 nan 0.000 0.500 136 P HA -0.155 nan 4.420 nan 0.000 0.216 136 P C -1.416 175.666 177.300 -0.364 0.000 1.157 136 P CA 1.588 64.012 63.100 -1.127 0.000 0.880 136 P CB -0.911 29.796 31.700 -1.654 0.000 0.791 137 P HA -0.168 nan 4.420 nan 0.000 0.218 137 P C 0.972 178.138 177.300 -0.223 0.000 1.146 137 P CA 1.550 64.519 63.100 -0.218 0.000 0.813 137 P CB -0.739 30.788 31.700 -0.287 0.000 0.778 138 H N -1.908 117.153 119.070 -0.015 0.000 2.547 138 H HA 0.134 4.690 4.556 0.001 0.000 0.266 138 H C 0.852 176.215 175.328 0.059 0.000 0.988 138 H CA 0.190 56.253 56.048 0.025 0.000 1.147 138 H CB 0.007 29.785 29.762 0.026 0.000 1.365 138 H HN 0.066 nan 8.280 nan 0.000 0.589 139 Q N -0.038 119.848 119.800 0.143 0.000 2.217 139 Q HA 0.205 4.546 4.340 0.001 0.000 0.340 139 Q C 0.682 176.698 176.000 0.027 0.000 0.893 139 Q CA 0.273 56.175 55.803 0.163 0.000 1.142 139 Q CB 1.366 30.301 28.738 0.328 0.000 1.288 139 Q HN 0.660 nan 8.270 nan 0.000 0.426 140 G N 0.489 109.264 108.800 -0.041 0.000 2.176 140 G HA2 -0.275 3.685 3.960 0.001 0.000 0.253 140 G HA3 -0.275 3.685 3.960 0.001 0.000 0.253 140 G C -0.152 174.519 174.900 -0.382 0.000 0.979 140 G CA -0.324 44.649 45.100 -0.211 0.000 0.641 140 G HN 0.319 nan 8.290 nan 0.000 0.530 141 F N 0.870 120.771 119.950 -0.082 0.000 2.411 141 F HA 0.561 5.088 4.527 0.001 0.000 0.350 141 F C 1.591 177.379 175.800 -0.019 0.000 1.114 141 F CA -0.213 57.742 58.000 -0.074 0.000 1.135 141 F CB 0.830 39.810 39.000 -0.033 0.000 1.120 141 F HN 0.121 nan 8.300 nan 0.000 0.495 142 H N 1.617 120.832 119.070 0.241 0.000 2.363 142 H HA 0.124 4.681 4.556 0.001 0.000 0.301 142 H C 0.306 175.745 175.328 0.186 0.000 1.074 142 H CA 0.687 56.834 56.048 0.165 0.000 1.354 142 H CB 0.332 30.172 29.762 0.131 0.000 1.397 142 H HN 0.353 nan 8.280 nan 0.000 0.516 143 R N 0.356 121.084 120.500 0.379 0.000 2.711 143 R HA 0.385 4.726 4.340 0.001 0.000 0.284 143 R C -1.731 174.852 176.300 0.471 0.000 0.968 143 R CA -0.879 55.453 56.100 0.386 0.000 0.924 143 R CB 2.416 32.924 30.300 0.347 0.000 1.162 143 R HN 0.029 nan 8.270 nan 0.000 0.465 144 F N 2.630 122.663 119.950 0.139 0.000 2.722 144 F HA 0.340 4.868 4.527 0.001 0.000 0.336 144 F C -2.131 173.488 175.800 -0.302 0.000 1.216 144 F CA -1.206 56.700 58.000 -0.157 0.000 1.065 144 F CB 1.321 40.180 39.000 -0.234 0.000 1.325 144 F HN 0.339 nan 8.300 nan 0.000 0.524 145 L N 6.647 127.137 121.223 -1.221 0.000 2.353 145 L HA 0.964 5.305 4.340 0.001 0.000 0.270 145 L C -0.496 175.709 176.870 -1.110 0.000 1.003 145 L CA 0.075 54.216 54.840 -1.165 0.000 0.862 145 L CB 0.958 42.445 42.059 -0.952 0.000 1.221 145 L HN 0.893 nan 8.230 nan 0.000 0.430 146 G N 4.219 112.317 108.800 -1.170 0.000 2.340 146 G HA2 0.337 4.298 3.960 0.001 0.000 0.299 146 G HA3 0.337 4.298 3.960 0.001 0.000 0.299 146 G C -1.559 173.254 174.900 -0.145 0.000 1.291 146 G CA -0.847 44.014 45.100 -0.398 0.000 0.841 146 G HN 0.411 nan 8.290 nan 0.000 0.500 147 I N 1.675 122.313 120.570 0.113 0.000 2.396 147 I HA 0.306 4.477 4.170 0.001 0.000 0.292 147 I C -1.368 174.790 176.117 0.069 0.000 0.999 147 I CA -2.066 59.242 61.300 0.013 0.000 1.310 147 I CB 2.429 40.407 38.000 -0.036 0.000 1.404 147 I HN 0.296 nan 8.210 nan 0.000 0.496 148 P HA -0.011 nan 4.420 nan 0.000 0.245 148 P C -0.826 176.499 177.300 0.043 0.000 1.212 148 P CA 1.049 64.140 63.100 -0.015 0.000 0.774 148 P CB 0.052 31.672 31.700 -0.135 0.000 0.999 149 Y N -3.723 116.632 120.300 0.091 0.000 2.958 149 Y HA 0.557 5.108 4.550 0.002 0.000 0.315 149 Y C -0.149 175.597 175.900 -0.256 0.000 1.541 149 Y CA -1.887 56.092 58.100 -0.201 0.000 1.087 149 Y CB -0.528 37.803 38.460 -0.214 0.000 1.593 149 Y HN -0.398 nan 8.280 nan 0.000 0.446 150 S N 1.252 116.839 115.700 -0.188 0.000 2.585 150 S HA 0.062 4.533 4.470 0.001 0.000 0.273 150 S C 0.755 175.331 174.600 -0.040 0.000 1.339 150 S CA -0.064 58.033 58.200 -0.172 0.000 1.028 150 S CB 0.053 62.963 63.200 -0.484 0.000 0.906 150 S HN 0.943 nan 8.310 nan 0.000 0.528 151 H N 1.077 120.041 119.070 -0.176 0.000 2.563 151 H HA 0.009 4.566 4.556 0.002 0.000 0.272 151 H C 0.278 175.515 175.328 -0.151 0.000 1.005 151 H CA 1.013 56.932 56.048 -0.215 0.000 1.171 151 H CB -0.250 29.274 29.762 -0.397 0.000 1.351 151 H HN 0.747 nan 8.280 nan 0.000 0.602 152 D N 0.310 120.502 120.400 -0.346 0.000 2.433 152 D HA -0.056 4.585 4.640 0.001 0.000 0.211 152 D C 0.394 176.660 176.300 -0.056 0.000 1.114 152 D CA -0.260 53.611 54.000 -0.215 0.000 0.837 152 D CB -0.257 40.489 40.800 -0.090 0.000 0.984 152 D HN 0.336 nan 8.370 nan 0.000 0.505 153 Q N 0.954 120.722 119.800 -0.053 0.000 3.170 153 Q HA 0.494 4.835 4.340 0.001 0.000 0.346 153 Q C -0.063 175.908 176.000 -0.048 0.000 1.333 153 Q CA -0.281 55.475 55.803 -0.078 0.000 0.958 153 Q CB 0.562 29.162 28.738 -0.229 0.000 1.600 153 Q HN 0.349 nan 8.270 nan 0.000 0.482 154 G N 1.216 110.010 108.800 -0.010 0.000 2.411 154 G HA2 0.255 4.215 3.960 0.001 0.000 0.295 154 G HA3 0.255 4.215 3.960 0.001 0.000 0.295 154 G C -3.267 171.629 174.900 -0.005 0.000 1.542 154 G CA -1.034 44.068 45.100 0.004 0.000 0.814 154 G HN -0.110 nan 8.290 nan 0.000 0.557 155 P HA 0.257 nan 4.420 nan 0.000 0.268 155 P C 0.965 178.253 177.300 -0.020 0.000 1.204 155 P CA -0.102 62.994 63.100 -0.007 0.000 0.768 155 P CB 0.937 32.631 31.700 -0.009 0.000 0.842 156 c N 1.822 120.413 118.600 -0.016 0.000 3.657 156 c HA 0.147 4.718 4.570 0.001 0.000 0.291 156 c C 1.787 175.868 174.090 -0.015 0.000 1.572 156 c CA -0.242 56.066 56.329 -0.036 0.000 1.818 156 c CB -0.839 41.625 42.510 -0.077 0.000 2.903 156 c HN 0.517 nan 8.230 nan 0.000 0.632 157 Q N 2.084 121.887 119.800 0.005 0.000 2.297 157 Q HA -0.159 4.181 4.340 0.001 0.000 0.208 157 Q C 0.719 176.726 176.000 0.011 0.000 0.981 157 Q CA 2.018 57.831 55.803 0.017 0.000 0.876 157 Q CB -0.825 27.926 28.738 0.022 0.000 0.921 157 Q HN 0.865 nan 8.270 nan 0.000 0.446 158 N N -0.070 118.629 118.700 -0.001 0.000 2.236 158 N HA 0.242 4.983 4.740 0.001 0.000 0.196 158 N C -0.246 175.266 175.510 0.004 0.000 1.114 158 N CA -0.294 52.758 53.050 0.003 0.000 0.859 158 N CB 0.537 39.020 38.487 -0.006 0.000 0.982 158 N HN 0.087 nan 8.380 nan 0.000 0.493 159 L N 0.958 122.172 121.223 -0.015 0.000 2.417 159 L HA 0.227 4.567 4.340 0.001 0.000 0.268 159 L C 0.383 177.238 176.870 -0.025 0.000 1.158 159 L CA -0.088 54.734 54.840 -0.030 0.000 0.819 159 L CB 0.748 42.754 42.059 -0.088 0.000 1.112 159 L HN -0.013 nan 8.230 nan 0.000 0.458 160 T N 0.643 115.184 114.554 -0.021 0.000 2.780 160 T HA 0.091 4.441 4.350 0.001 0.000 0.294 160 T C 0.605 175.206 174.700 -0.165 0.000 0.949 160 T CA -0.438 61.649 62.100 -0.022 0.000 1.074 160 T CB 1.045 69.960 68.868 0.079 0.000 0.910 160 T HN 0.693 nan 8.240 nan 0.000 0.501 161 c N 3.179 121.700 118.600 -0.131 0.000 2.525 161 c HA 0.405 4.976 4.570 0.001 0.000 0.291 161 c C 0.016 173.753 174.090 -0.588 0.000 1.351 161 c CA -0.214 55.916 56.329 -0.332 0.000 1.771 161 c CB -0.425 41.952 42.510 -0.221 0.000 2.177 161 c HN 0.789 nan 8.230 nan 0.000 0.510 162 F N 1.806 121.755 119.950 -0.003 0.000 2.539 162 F HA 0.443 4.970 4.527 0.001 0.000 0.318 162 F C -2.287 173.517 175.800 0.006 0.000 1.135 162 F CA -2.709 55.291 58.000 -0.000 0.000 0.915 162 F CB 0.910 39.927 39.000 0.028 0.000 1.176 162 F HN -0.097 nan 8.300 nan 0.000 0.440 163 P HA 0.165 nan 4.420 nan 0.000 0.274 163 P C -2.125 175.270 177.300 0.159 0.000 1.237 163 P CA -1.162 62.039 63.100 0.169 0.000 0.793 163 P CB 0.936 32.745 31.700 0.180 0.000 0.977 164 P HA 0.046 nan 4.420 nan 0.000 0.219 164 P C 0.534 177.934 177.300 0.167 0.000 1.154 164 P CA 1.142 64.338 63.100 0.161 0.000 0.826 164 P CB 0.219 31.985 31.700 0.111 0.000 0.795 165 A N -1.030 121.870 122.820 0.134 0.000 2.579 165 A HA 0.317 4.638 4.320 0.001 0.000 0.254 165 A C 0.105 177.758 177.584 0.115 0.000 0.873 165 A CA -0.205 51.906 52.037 0.124 0.000 1.106 165 A CB -0.616 18.441 19.000 0.095 0.000 1.222 165 A HN -0.019 nan 8.150 nan 0.000 0.470 166 T N 4.041 118.680 114.554 0.143 0.000 2.752 166 T HA 0.403 4.754 4.350 0.001 0.000 0.295 166 T C -2.579 172.209 174.700 0.146 0.000 0.923 166 T CA -0.683 61.512 62.100 0.158 0.000 1.112 166 T CB 0.666 69.670 68.868 0.227 0.000 0.884 166 T HN 0.271 nan 8.240 nan 0.000 0.525 167 P HA 0.168 nan 4.420 nan 0.000 0.269 167 P C -0.121 177.234 177.300 0.092 0.000 1.215 167 P CA -0.716 62.431 63.100 0.080 0.000 0.780 167 P CB 0.334 32.075 31.700 0.068 0.000 0.898 168 c N 2.884 121.508 118.600 0.040 0.000 2.642 168 c HA 0.072 4.642 4.570 0.001 0.000 0.420 168 c C 1.077 175.213 174.090 0.077 0.000 1.349 168 c CA -0.099 56.247 56.329 0.028 0.000 1.821 168 c CB -1.128 41.348 42.510 -0.058 0.000 2.637 168 c HN 0.645 nan 8.230 nan 0.000 0.605 169 D N 1.245 121.724 120.400 0.131 0.000 2.304 169 D HA 0.360 5.001 4.640 0.001 0.000 0.247 169 D C 0.988 177.431 176.300 0.238 0.000 1.089 169 D CA 0.457 54.565 54.000 0.180 0.000 0.910 169 D CB 1.038 41.965 40.800 0.212 0.000 1.199 169 D HN 0.952 nan 8.370 nan 0.000 0.426 170 G N 1.138 110.054 108.800 0.193 0.000 2.220 170 G HA2 -0.261 3.700 3.960 0.001 0.000 0.269 170 G HA3 -0.261 3.700 3.960 0.001 0.000 0.269 170 G C 1.185 176.193 174.900 0.181 0.000 0.977 170 G CA 0.771 45.990 45.100 0.199 0.000 0.634 170 G HN 1.754 nan 8.290 nan 0.000 0.539 171 G N -1.596 107.292 108.800 0.145 0.000 2.234 171 G HA2 -0.108 3.853 3.960 0.001 0.000 0.260 171 G HA3 -0.108 3.853 3.960 0.001 0.000 0.260 171 G C 1.783 176.746 174.900 0.105 0.000 0.987 171 G CA 1.220 46.378 45.100 0.098 0.000 0.625 171 G HN 2.183 nan 8.290 nan 0.000 0.532 172 c N -0.834 117.887 118.600 0.201 0.000 0.168 172 c HA -0.132 4.439 4.570 0.001 0.000 0.017 172 c C 0.629 174.786 174.090 0.111 0.000 0.171 172 c CA 0.500 56.946 56.329 0.194 0.000 0.499 172 c CB -1.185 41.361 42.510 0.061 0.000 3.212 172 c HN 0.811 nan 8.230 nan 0.000 1.118 173 D N 1.561 122.006 120.400 0.075 0.000 2.390 173 D HA 0.403 5.044 4.640 0.001 0.000 0.249 173 D C 0.256 176.568 176.300 0.020 0.000 1.144 173 D CA 0.328 54.352 54.000 0.040 0.000 0.880 173 D CB 0.433 41.243 40.800 0.016 0.000 1.182 173 D HN 0.292 nan 8.370 nan 0.000 0.451 174 Q N 0.046 119.856 119.800 0.017 0.000 2.193 174 Q HA 0.523 4.864 4.340 0.001 0.000 0.246 174 Q C 1.134 177.136 176.000 0.003 0.000 0.959 174 Q CA -0.631 55.178 55.803 0.010 0.000 0.904 174 Q CB 1.460 30.205 28.738 0.012 0.000 1.238 174 Q HN 0.720 nan 8.270 nan 0.000 0.469 175 G N 0.290 109.091 108.800 0.001 0.000 2.143 175 G HA2 -0.228 3.733 3.960 0.001 0.000 0.248 175 G HA3 -0.228 3.733 3.960 0.001 0.000 0.248 175 G C -0.229 174.670 174.900 -0.001 0.000 0.991 175 G CA 0.414 45.514 45.100 0.001 0.000 0.689 175 G HN 0.317 nan 8.290 nan 0.000 0.522 176 L N -1.142 120.079 121.223 -0.003 0.000 2.283 176 L HA 0.738 5.079 4.340 0.001 0.000 0.259 176 L C 0.987 177.862 176.870 0.008 0.000 1.027 176 L CA -1.502 53.336 54.840 -0.003 0.000 0.828 176 L CB 1.709 43.755 42.059 -0.022 0.000 1.380 176 L HN -0.057 nan 8.230 nan 0.000 0.425 177 V N 1.897 121.825 119.914 0.024 0.000 2.843 177 V HA 0.096 4.217 4.120 0.001 0.000 0.305 177 V C -1.865 174.254 176.094 0.041 0.000 1.065 177 V CA -0.949 61.373 62.300 0.038 0.000 1.116 177 V CB 1.117 32.978 31.823 0.063 0.000 0.968 177 V HN 0.565 nan 8.190 nan 0.000 0.487 178 P HA 0.091 nan 4.420 nan 0.000 0.270 178 P C -0.371 176.954 177.300 0.041 0.000 1.227 178 P CA -0.201 62.908 63.100 0.015 0.000 0.788 178 P CB 0.385 32.082 31.700 -0.004 0.000 0.926 179 I N 3.881 124.465 120.570 0.023 0.000 2.598 179 I HA 0.113 4.283 4.170 0.001 0.000 0.284 179 I C -1.971 174.117 176.117 -0.048 0.000 1.140 179 I CA -1.624 59.689 61.300 0.021 0.000 1.420 179 I CB 0.337 38.325 38.000 -0.020 0.000 1.387 179 I HN 0.238 nan 8.210 nan 0.000 0.553 180 P HA 0.198 nan 4.420 nan 0.000 0.296 180 P C -1.083 176.129 177.300 -0.146 0.000 1.306 180 P CA -0.620 62.420 63.100 -0.101 0.000 0.818 180 P CB 1.443 33.094 31.700 -0.082 0.000 0.969 181 L N 5.126 126.266 121.223 -0.138 0.000 2.257 181 L HA 0.370 4.711 4.340 0.001 0.000 0.290 181 L C -0.944 175.824 176.870 -0.170 0.000 1.044 181 L CA -0.206 54.538 54.840 -0.159 0.000 0.810 181 L CB -0.090 41.875 42.059 -0.157 0.000 1.193 181 L HN 0.224 nan 8.230 nan 0.000 0.425 182 L N 5.065 126.148 121.223 -0.232 0.000 2.331 182 L HA 0.813 5.154 4.340 0.001 0.000 0.275 182 L C 0.011 176.643 176.870 -0.396 0.000 1.022 182 L CA -0.897 53.799 54.840 -0.239 0.000 0.812 182 L CB 1.711 43.691 42.059 -0.131 0.000 1.257 182 L HN 0.737 nan 8.230 nan 0.000 0.435 183 A N 2.457 125.132 122.820 -0.241 0.000 2.328 183 A HA 0.507 4.828 4.320 0.001 0.000 0.318 183 A C 0.228 177.754 177.584 -0.097 0.000 1.347 183 A CA -0.465 51.447 52.037 -0.207 0.000 0.842 183 A CB 0.271 19.205 19.000 -0.111 0.000 1.148 183 A HN 0.931 nan 8.150 nan 0.000 0.499 184 N N 0.363 119.034 118.700 -0.048 0.000 1.518 184 N HA -0.267 4.474 4.740 0.001 0.000 0.146 184 N C 0.658 176.216 175.510 0.082 0.000 0.621 184 N CA 2.364 55.474 53.050 0.099 0.000 1.108 184 N CB -0.916 37.601 38.487 0.050 0.000 1.310 184 N HN 0.617 nan 8.380 nan 0.000 0.457 185 L N 0.262 121.496 121.223 0.018 0.000 2.667 185 L HA 0.318 4.659 4.340 0.001 0.000 0.232 185 L C 0.076 176.951 176.870 0.009 0.000 1.138 185 L CA 0.070 54.918 54.840 0.014 0.000 0.921 185 L CB 0.386 42.448 42.059 0.004 0.000 1.180 185 L HN 0.069 nan 8.230 nan 0.000 0.487 186 S N 0.084 115.779 115.700 -0.009 0.000 2.475 186 S HA 0.420 4.891 4.470 0.001 0.000 0.298 186 S C 0.116 174.692 174.600 -0.039 0.000 1.119 186 S CA -0.545 57.645 58.200 -0.017 0.000 1.085 186 S CB 2.513 65.703 63.200 -0.016 0.000 1.028 186 S HN -0.128 nan 8.310 nan 0.000 0.489 187 V N 3.427 123.320 119.914 -0.034 0.000 2.425 187 V HA 0.018 4.139 4.120 0.001 0.000 0.276 187 V C 1.533 177.590 176.094 -0.061 0.000 1.017 187 V CA 0.402 62.670 62.300 -0.053 0.000 1.062 187 V CB -0.032 31.762 31.823 -0.047 0.000 0.997 187 V HN 1.043 nan 8.190 nan 0.000 0.476 188 E N 4.270 124.421 120.200 -0.081 0.000 2.299 188 E HA 0.325 4.676 4.350 0.001 0.000 0.193 188 E C 0.571 177.127 176.600 -0.074 0.000 0.998 188 E CA 0.894 57.248 56.400 -0.076 0.000 0.851 188 E CB 0.389 30.033 29.700 -0.093 0.000 0.795 188 E HN 0.865 nan 8.360 nan 0.000 0.492 189 A N 0.339 123.110 122.820 -0.081 0.000 2.590 189 A HA 0.450 4.770 4.320 0.001 0.000 0.294 189 A C -1.616 175.922 177.584 -0.077 0.000 1.046 189 A CA -0.507 51.485 52.037 -0.075 0.000 0.684 189 A CB 1.290 20.248 19.000 -0.070 0.000 1.279 189 A HN 0.106 nan 8.150 nan 0.000 0.415 190 Q N 1.452 121.214 119.800 -0.063 0.000 2.821 190 Q HA 0.392 4.733 4.340 0.001 0.000 0.217 190 Q C -3.149 172.847 176.000 -0.007 0.000 0.775 190 Q CA -1.136 54.639 55.803 -0.048 0.000 0.930 190 Q CB 2.611 31.316 28.738 -0.055 0.000 1.511 190 Q HN 0.577 nan 8.270 nan 0.000 0.457 191 P HA 0.488 nan 4.420 nan 0.000 0.283 191 P C -2.684 174.585 177.300 -0.053 0.000 1.271 191 P CA -1.528 61.544 63.100 -0.047 0.000 0.841 191 P CB 1.115 32.783 31.700 -0.052 0.000 1.122 192 P HA 0.071 nan 4.420 nan 0.000 0.275 192 P C -0.929 176.352 177.300 -0.032 0.000 1.266 192 P CA -0.172 62.876 63.100 -0.087 0.000 0.793 192 P CB 0.362 31.957 31.700 -0.175 0.000 1.074 193 W N 1.914 123.092 121.300 -0.203 0.000 2.357 193 W HA 0.248 4.909 4.660 0.002 0.000 0.317 193 W C 0.902 177.258 176.519 -0.271 0.000 1.101 193 W CA -0.272 56.957 57.345 -0.194 0.000 1.380 193 W CB -0.364 29.014 29.460 -0.136 0.000 1.266 193 W HN 0.241 nan 8.180 nan 0.000 0.419 194 L N 7.304 128.147 121.223 -0.632 0.000 2.013 194 L HA -0.183 4.158 4.340 0.001 0.000 0.212 194 L C -0.274 176.120 176.870 -0.793 0.000 1.073 194 L CA 1.395 55.701 54.840 -0.891 0.000 0.753 194 L CB -1.713 39.711 42.059 -1.058 0.000 0.890 194 L HN 0.273 nan 8.230 nan 0.000 0.432 195 P HA -0.115 nan 4.420 nan 0.000 0.229 195 P C 0.963 177.891 177.300 -0.619 0.000 1.150 195 P CA 1.448 64.026 63.100 -0.871 0.000 0.765 195 P CB -0.097 30.762 31.700 -1.402 0.000 0.783 196 G N -2.110 106.433 108.800 -0.427 0.000 3.274 196 G HA2 0.053 4.014 3.960 0.001 0.000 0.250 196 G HA3 0.053 4.014 3.960 0.001 0.000 0.250 196 G C 1.136 175.981 174.900 -0.092 0.000 1.024 196 G CA -0.156 44.944 45.100 -0.001 0.000 0.840 196 G HN 0.167 nan 8.290 nan 0.000 0.522 197 L N 0.227 121.306 121.223 -0.240 0.000 2.042 197 L HA -0.104 4.237 4.340 0.001 0.000 0.210 197 L C 2.812 179.422 176.870 -0.433 0.000 1.076 197 L CA 1.588 56.169 54.840 -0.431 0.000 0.749 197 L CB -0.067 41.675 42.059 -0.529 0.000 0.893 197 L HN 0.321 nan 8.230 nan 0.000 0.432 198 E N 0.314 120.434 120.200 -0.133 0.000 2.038 198 E HA -0.282 4.069 4.350 0.001 0.000 0.195 198 E C 2.093 178.704 176.600 0.018 0.000 1.000 198 E CA 1.615 58.026 56.400 0.018 0.000 0.803 198 E CB 0.028 29.817 29.700 0.148 0.000 0.750 198 E HN 0.474 nan 8.360 nan 0.000 0.448 199 A N 1.695 124.528 122.820 0.022 0.000 1.892 199 A HA -0.241 4.080 4.320 0.001 0.000 0.218 199 A C 2.262 179.856 177.584 0.016 0.000 1.188 199 A CA 1.851 53.909 52.037 0.034 0.000 0.631 199 A CB -0.620 18.408 19.000 0.047 0.000 0.822 199 A HN 0.241 nan 8.150 nan 0.000 0.447 200 R N -1.703 118.771 120.500 -0.043 0.000 2.097 200 R HA -0.191 4.150 4.340 0.001 0.000 0.236 200 R C 2.103 178.460 176.300 0.095 0.000 1.135 200 R CA 1.941 58.024 56.100 -0.028 0.000 0.934 200 R CB -0.699 29.517 30.300 -0.140 0.000 0.846 200 R HN 0.633 nan 8.270 nan 0.000 0.431 201 Y N 0.301 120.588 120.300 -0.023 0.000 2.207 201 Y HA -0.173 4.377 4.550 0.001 0.000 0.287 201 Y C 2.405 178.282 175.900 -0.039 0.000 1.156 201 Y CA 0.821 58.887 58.100 -0.057 0.000 1.182 201 Y CB -0.488 37.920 38.460 -0.086 0.000 0.979 201 Y HN 0.034 nan 8.280 nan 0.000 0.521 202 M N -0.586 119.077 119.600 0.105 0.000 2.132 202 M HA -0.111 4.370 4.480 0.001 0.000 0.263 202 M C 2.487 178.835 176.300 0.081 0.000 1.065 202 M CA 1.474 56.798 55.300 0.041 0.000 1.122 202 M CB -1.645 30.976 32.600 0.034 0.000 1.365 202 M HN 0.244 nan 8.290 nan 0.000 0.411 203 A N -0.054 122.822 122.820 0.092 0.000 1.883 203 A HA -0.230 4.091 4.320 0.001 0.000 0.217 203 A C 2.165 179.820 177.584 0.120 0.000 1.186 203 A CA 1.744 53.829 52.037 0.081 0.000 0.624 203 A CB -1.260 17.777 19.000 0.061 0.000 0.822 203 A HN 0.466 nan 8.150 nan 0.000 0.444 204 F N 1.033 120.986 119.950 0.005 0.000 2.126 204 F HA -0.121 4.407 4.527 0.001 0.000 0.299 204 F C 2.440 178.213 175.800 -0.045 0.000 1.096 204 F CA 1.454 59.446 58.000 -0.014 0.000 1.255 204 F CB -0.382 38.611 39.000 -0.012 0.000 0.997 204 F HN 0.252 nan 8.300 nan 0.000 0.479 205 A N -0.190 122.644 122.820 0.023 0.000 1.873 205 A HA -0.241 4.080 4.320 0.001 0.000 0.215 205 A C 2.369 179.818 177.584 -0.226 0.000 1.186 205 A CA 1.699 53.651 52.037 -0.143 0.000 0.616 205 A CB -1.531 17.421 19.000 -0.080 0.000 0.823 205 A HN 0.668 nan 8.150 nan 0.000 0.442 206 H N 0.274 119.237 119.070 -0.178 0.000 2.319 206 H HA -0.163 4.393 4.556 0.001 0.000 0.299 206 H C 1.453 176.656 175.328 -0.208 0.000 1.092 206 H CA 2.137 58.083 56.048 -0.170 0.000 1.302 206 H CB -0.147 29.557 29.762 -0.096 0.000 1.373 206 H HN 0.404 nan 8.280 nan 0.000 0.497 207 D N 0.654 121.018 120.400 -0.061 0.000 2.104 207 D HA -0.149 4.492 4.640 0.001 0.000 0.194 207 D C 2.462 178.599 176.300 -0.272 0.000 0.994 207 D CA 0.784 54.711 54.000 -0.123 0.000 0.830 207 D CB -0.612 40.117 40.800 -0.118 0.000 0.959 207 D HN 0.288 nan 8.370 nan 0.000 0.452 208 L N 0.226 121.199 121.223 -0.418 0.000 2.042 208 L HA -0.160 4.181 4.340 0.001 0.000 0.210 208 L C 2.184 178.795 176.870 -0.430 0.000 1.076 208 L CA 1.587 56.177 54.840 -0.417 0.000 0.749 208 L CB -0.407 41.342 42.059 -0.517 0.000 0.893 208 L HN 0.018 nan 8.230 nan 0.000 0.432 209 M N -1.268 117.964 119.600 -0.613 0.000 2.064 209 M HA -0.173 4.308 4.480 0.001 0.000 0.260 209 M C 2.359 178.403 176.300 -0.428 0.000 1.073 209 M CA 1.843 56.647 55.300 -0.827 0.000 1.124 209 M CB -0.699 31.363 32.600 -0.897 0.000 1.326 209 M HN 0.420 nan 8.290 nan 0.000 0.410 210 A N 0.852 123.438 122.820 -0.390 0.000 1.884 210 A HA -0.251 4.069 4.320 0.001 0.000 0.219 210 A C 1.687 179.194 177.584 -0.128 0.000 1.197 210 A CA 2.465 54.365 52.037 -0.228 0.000 0.637 210 A CB -1.122 17.753 19.000 -0.208 0.000 0.827 210 A HN 0.470 nan 8.150 nan 0.000 0.450 211 D N -0.047 120.277 120.400 -0.126 0.000 2.133 211 D HA -0.097 4.544 4.640 0.001 0.000 0.195 211 D C 2.194 178.469 176.300 -0.043 0.000 0.997 211 D CA 1.720 55.676 54.000 -0.074 0.000 0.840 211 D CB -0.560 40.195 40.800 -0.076 0.000 0.947 211 D HN 0.472 nan 8.370 nan 0.000 0.452 212 A N 0.565 123.364 122.820 -0.036 0.000 1.902 212 A HA -0.250 4.071 4.320 0.001 0.000 0.217 212 A C 2.145 179.754 177.584 0.043 0.000 1.181 212 A CA 1.836 53.898 52.037 0.042 0.000 0.623 212 A CB -0.732 18.364 19.000 0.160 0.000 0.818 212 A HN 0.249 nan 8.150 nan 0.000 0.443 213 Q N -0.533 119.286 119.800 0.031 0.000 2.014 213 Q HA -0.247 4.094 4.340 0.001 0.000 0.207 213 Q C 2.366 178.372 176.000 0.010 0.000 0.993 213 Q CA 1.928 57.749 55.803 0.031 0.000 0.850 213 Q CB -0.181 28.565 28.738 0.012 0.000 0.916 213 Q HN 0.640 nan 8.270 nan 0.000 0.417 214 R N -0.162 120.335 120.500 -0.006 0.000 2.119 214 R HA -0.199 4.142 4.340 0.001 0.000 0.246 214 R C 1.956 178.254 176.300 -0.004 0.000 1.146 214 R CA 2.018 58.115 56.100 -0.006 0.000 0.962 214 R CB -0.103 30.189 30.300 -0.013 0.000 0.863 214 R HN 0.469 nan 8.270 nan 0.000 0.442 215 Q N 0.090 119.887 119.800 -0.004 0.000 2.322 215 Q HA -0.023 4.317 4.340 0.001 0.000 0.203 215 Q C -0.479 175.518 176.000 -0.006 0.000 0.923 215 Q CA 0.090 55.890 55.803 -0.006 0.000 0.949 215 Q CB 0.336 29.069 28.738 -0.007 0.000 1.039 215 Q HN 0.205 nan 8.270 nan 0.000 0.496 216 D N 1.328 121.726 120.400 -0.002 0.000 2.689 216 D HA -0.185 4.455 4.640 0.001 0.000 0.237 216 D C -0.856 175.429 176.300 -0.025 0.000 1.148 216 D CA 0.812 54.808 54.000 -0.008 0.000 0.656 216 D CB -0.397 40.399 40.800 -0.008 0.000 1.050 216 D HN 0.470 nan 8.370 nan 0.000 0.426 217 R N -1.264 119.221 120.500 -0.026 0.000 2.771 217 R HA 0.767 5.107 4.340 0.001 0.000 0.274 217 R C -3.048 173.192 176.300 -0.101 0.000 0.987 217 R CA -1.935 54.121 56.100 -0.074 0.000 0.908 217 R CB 1.554 31.824 30.300 -0.050 0.000 1.213 217 R HN -0.105 nan 8.270 nan 0.000 0.468 218 P HA 0.145 nan 4.420 nan 0.000 0.275 218 P C -0.986 176.156 177.300 -0.263 0.000 1.228 218 P CA -0.283 62.544 63.100 -0.455 0.000 0.786 218 P CB 0.379 31.508 31.700 -0.950 0.000 0.927 219 F N 0.983 120.916 119.950 -0.029 0.000 2.483 219 F HA 0.748 5.276 4.527 0.001 0.000 0.329 219 F C -1.004 175.051 175.800 0.424 0.000 1.064 219 F CA -1.622 56.480 58.000 0.170 0.000 0.986 219 F CB 0.984 40.028 39.000 0.074 0.000 1.218 219 F HN 0.137 nan 8.300 nan 0.000 0.484 220 F N 4.560 124.799 119.950 0.482 0.000 2.513 220 F HA 0.576 5.104 4.527 0.001 0.000 0.358 220 F C -1.958 174.073 175.800 0.384 0.000 1.118 220 F CA -1.821 56.368 58.000 0.315 0.000 1.037 220 F CB 1.226 40.291 39.000 0.110 0.000 1.276 220 F HN 0.608 nan 8.300 nan 0.000 0.446 221 L N 7.931 129.203 121.223 0.082 0.000 2.257 221 L HA 0.399 4.740 4.340 0.001 0.000 0.290 221 L C -1.812 174.954 176.870 -0.172 0.000 1.044 221 L CA -0.533 54.286 54.840 -0.033 0.000 0.810 221 L CB 0.596 42.747 42.059 0.153 0.000 1.193 221 L HN 0.575 nan 8.230 nan 0.000 0.425 222 Y N 6.244 126.322 120.300 -0.369 0.000 2.595 222 Y HA 0.286 4.836 4.550 0.001 0.000 0.336 222 Y C -1.413 174.497 175.900 0.017 0.000 0.996 222 Y CA -1.109 56.877 58.100 -0.190 0.000 1.260 222 Y CB 0.151 38.544 38.460 -0.111 0.000 1.108 222 Y HN 0.614 nan 8.280 nan 0.000 0.509 223 Y N 5.686 125.878 120.300 -0.179 0.000 2.676 223 Y HA 0.608 5.159 4.550 0.002 0.000 0.338 223 Y C -0.515 175.157 175.900 -0.379 0.000 1.057 223 Y CA -1.943 55.990 58.100 -0.278 0.000 1.314 223 Y CB 0.128 38.543 38.460 -0.076 0.000 1.164 223 Y HN 0.686 nan 8.280 nan 0.000 0.509 224 A N 4.831 127.242 122.820 -0.681 0.000 2.923 224 A HA 0.379 4.700 4.320 0.001 0.000 0.306 224 A C 0.537 177.735 177.584 -0.643 0.000 1.542 224 A CA -0.190 51.474 52.037 -0.622 0.000 1.225 224 A CB -0.560 18.053 19.000 -0.645 0.000 1.147 224 A HN 0.659 nan 8.150 nan 0.000 0.542 225 S N 0.618 115.867 115.700 -0.751 0.000 2.573 225 S HA 0.114 4.585 4.470 0.001 0.000 0.277 225 S C 1.033 175.340 174.600 -0.488 0.000 1.346 225 S CA 0.070 57.874 58.200 -0.661 0.000 1.034 225 S CB 0.189 63.022 63.200 -0.612 0.000 0.879 225 S HN 0.735 nan 8.310 nan 0.000 0.528 226 H N 0.865 119.833 119.070 -0.170 0.000 2.525 226 H HA 0.204 4.761 4.556 0.001 0.000 0.275 226 H C 0.209 175.488 175.328 -0.081 0.000 0.984 226 H CA 0.376 56.371 56.048 -0.088 0.000 1.264 226 H CB 0.047 29.711 29.762 -0.162 0.000 1.432 226 H HN 0.540 nan 8.280 nan 0.000 0.549 227 H N 0.875 119.897 119.070 -0.081 0.000 2.803 227 H HA 0.072 4.629 4.556 0.001 0.000 0.330 227 H C 0.623 175.876 175.328 -0.124 0.000 1.057 227 H CA 0.517 56.446 56.048 -0.198 0.000 1.458 227 H CB 0.686 30.254 29.762 -0.323 0.000 1.470 227 H HN 0.260 nan 8.280 nan 0.000 0.560 228 T N 0.178 114.753 114.554 0.036 0.000 3.316 228 T HA 0.051 4.402 4.350 0.001 0.000 0.253 228 T C 0.324 175.130 174.700 0.177 0.000 0.995 228 T CA -0.695 61.387 62.100 -0.029 0.000 1.031 228 T CB -0.269 68.381 68.868 -0.365 0.000 1.125 228 T HN 0.501 nan 8.240 nan 0.000 0.539 229 H N 1.537 120.737 119.070 0.216 0.000 2.615 229 H HA 0.235 4.792 4.556 0.001 0.000 0.363 229 H C -0.495 175.030 175.328 0.328 0.000 1.148 229 H CA -0.456 55.761 56.048 0.281 0.000 1.401 229 H CB 0.669 30.604 29.762 0.287 0.000 1.461 229 H HN 0.532 nan 8.280 nan 0.000 0.588 230 Y N 5.705 126.148 120.300 0.237 0.000 2.480 230 Y HA 0.200 4.751 4.550 0.002 0.000 0.338 230 Y C -2.302 173.690 175.900 0.152 0.000 1.220 230 Y CA -1.852 56.385 58.100 0.228 0.000 1.430 230 Y CB 0.559 39.082 38.460 0.105 0.000 1.311 230 Y HN 0.433 nan 8.280 nan 0.000 0.575 231 P HA 0.065 nan 4.420 nan 0.000 0.281 231 P C -1.312 176.103 177.300 0.192 0.000 1.249 231 P CA -0.382 62.422 63.100 -0.494 0.000 0.810 231 P CB 1.229 32.526 31.700 -0.671 0.000 1.008 232 Q N 1.702 121.641 119.800 0.232 0.000 2.394 232 Q HA 0.406 4.746 4.340 0.001 0.000 0.248 232 Q C 0.040 176.054 176.000 0.024 0.000 0.992 232 Q CA 0.402 56.329 55.803 0.207 0.000 0.888 232 Q CB 0.094 29.009 28.738 0.295 0.000 1.257 232 Q HN 0.581 nan 8.270 nan 0.000 0.462 233 F N -2.422 117.320 119.950 -0.348 0.000 2.741 233 F HA 0.690 5.218 4.527 0.001 0.000 0.311 233 F C -1.029 174.491 175.800 -0.466 0.000 1.149 233 F CA -0.953 56.495 58.000 -0.920 0.000 0.930 233 F CB 1.088 39.749 39.000 -0.565 0.000 1.312 233 F HN 0.542 nan 8.300 nan 0.000 0.450 234 S N 0.440 115.951 115.700 -0.316 0.000 2.611 234 S HA 0.784 5.255 4.470 0.001 0.000 0.268 234 S C -0.489 174.167 174.600 0.093 0.000 1.156 234 S CA -0.476 57.751 58.200 0.046 0.000 0.817 234 S CB 0.912 64.227 63.200 0.193 0.000 1.122 234 S HN 1.706 nan 8.310 nan 0.000 0.466 235 G N -0.285 108.622 108.800 0.177 0.000 2.683 235 G HA2 0.316 4.277 3.960 0.001 0.000 0.260 235 G HA3 0.316 4.277 3.960 0.001 0.000 0.260 235 G C 0.316 175.275 174.900 0.099 0.000 1.238 235 G CA -0.235 44.918 45.100 0.088 0.000 0.934 235 G HN 0.849 nan 8.290 nan 0.000 0.534 236 Q N -1.026 118.791 119.800 0.029 0.000 2.378 236 Q HA -0.044 4.297 4.340 0.001 0.000 0.205 236 Q C 2.482 178.416 176.000 -0.109 0.000 0.954 236 Q CA 0.828 56.639 55.803 0.014 0.000 0.901 236 Q CB -0.022 28.741 28.738 0.041 0.000 0.981 236 Q HN 0.528 nan 8.270 nan 0.000 0.483 237 S N -0.117 115.390 115.700 -0.322 0.000 2.474 237 S HA -0.045 4.425 4.470 0.001 0.000 0.235 237 S C 0.726 174.872 174.600 -0.757 0.000 0.997 237 S CA 0.717 58.543 58.200 -0.623 0.000 0.949 237 S CB 0.010 62.615 63.200 -0.992 0.000 0.766 237 S HN 0.351 nan 8.310 nan 0.000 0.517 238 F N 0.929 120.892 119.950 0.021 0.000 2.724 238 F HA 0.484 5.012 4.527 0.001 0.000 0.306 238 F C 1.092 176.901 175.800 0.015 0.000 1.100 238 F CA -1.039 56.964 58.000 0.005 0.000 1.255 238 F CB -0.417 38.573 39.000 -0.016 0.000 1.072 238 F HN -0.029 nan 8.300 nan 0.000 0.589 239 A N 0.824 123.739 122.820 0.158 0.000 2.522 239 A HA 0.258 4.578 4.320 0.001 0.000 0.256 239 A C 0.985 178.558 177.584 -0.018 0.000 1.086 239 A CA 0.088 52.179 52.037 0.090 0.000 0.763 239 A CB -0.463 18.621 19.000 0.140 0.000 1.024 239 A HN 0.552 nan 8.150 nan 0.000 0.502 240 E N -0.456 119.683 120.200 -0.101 0.000 2.722 240 E HA -0.324 4.027 4.350 0.001 0.000 0.265 240 E C 1.195 177.777 176.600 -0.030 0.000 1.081 240 E CA 1.473 57.823 56.400 -0.084 0.000 0.781 240 E CB -1.482 28.172 29.700 -0.077 0.000 1.372 240 E HN 0.960 nan 8.360 nan 0.000 0.423 241 R N 0.081 120.583 120.500 0.004 0.000 2.279 241 R HA 0.277 4.618 4.340 0.001 0.000 0.195 241 R C 1.178 177.497 176.300 0.033 0.000 0.905 241 R CA 0.902 57.016 56.100 0.024 0.000 1.044 241 R CB -0.003 30.325 30.300 0.047 0.000 1.056 241 R HN 0.324 nan 8.270 nan 0.000 0.535 242 S N -0.899 114.819 115.700 0.030 0.000 2.608 242 S HA 0.435 4.906 4.470 0.001 0.000 0.261 242 S C 1.258 175.866 174.600 0.013 0.000 1.314 242 S CA 0.046 58.257 58.200 0.019 0.000 0.992 242 S CB 1.438 64.635 63.200 -0.004 0.000 0.935 242 S HN 0.561 nan 8.310 nan 0.000 0.564 243 G N -0.400 108.413 108.800 0.021 0.000 3.448 243 G HA2 0.196 4.156 3.960 0.001 0.000 0.261 243 G HA3 0.196 4.156 3.960 0.001 0.000 0.261 243 G C 0.661 175.582 174.900 0.035 0.000 1.173 243 G CA -0.562 44.554 45.100 0.025 0.000 0.835 243 G HN 0.723 nan 8.290 nan 0.000 0.534 244 R N 0.254 120.773 120.500 0.033 0.000 2.659 244 R HA 0.404 4.745 4.340 0.001 0.000 0.418 244 R C 1.149 177.480 176.300 0.051 0.000 1.076 244 R CA 0.450 56.582 56.100 0.053 0.000 1.093 244 R CB -0.232 30.105 30.300 0.061 0.000 1.400 244 R HN 0.370 nan 8.270 nan 0.000 0.583 245 G N 1.304 110.110 108.800 0.010 0.000 2.601 245 G HA2 -0.307 3.654 3.960 0.001 0.000 0.252 245 G HA3 -0.307 3.654 3.960 0.001 0.000 0.252 245 G C -1.837 173.041 174.900 -0.036 0.000 1.294 245 G CA -0.170 44.917 45.100 -0.022 0.000 0.912 245 G HN 0.191 nan 8.290 nan 0.000 0.574 246 P HA -0.008 nan 4.420 nan 0.000 0.215 246 P C 1.801 179.187 177.300 0.144 0.000 1.153 246 P CA 1.883 64.983 63.100 0.000 0.000 0.853 246 P CB -0.099 31.658 31.700 0.096 0.000 0.788 247 F N 0.562 120.533 119.950 0.035 0.000 2.171 247 F HA -0.059 4.469 4.527 0.002 0.000 0.300 247 F C 2.188 177.953 175.800 -0.059 0.000 1.090 247 F CA 1.959 59.964 58.000 0.008 0.000 1.293 247 F CB -0.862 38.135 39.000 -0.005 0.000 1.013 247 F HN -0.138 nan 8.300 nan 0.000 0.486 248 G N -0.324 108.527 108.800 0.084 0.000 2.394 248 G HA2 -0.228 3.732 3.960 0.001 0.000 0.215 248 G HA3 -0.228 3.732 3.960 0.001 0.000 0.215 248 G C 1.331 176.147 174.900 -0.139 0.000 1.165 248 G CA 0.906 45.988 45.100 -0.030 0.000 0.784 248 G HN 0.292 nan 8.290 nan 0.000 0.535 249 D N 0.617 120.968 120.400 -0.081 0.000 2.116 249 D HA -0.152 4.489 4.640 0.001 0.000 0.193 249 D C 2.690 178.867 176.300 -0.205 0.000 0.998 249 D CA 1.561 55.533 54.000 -0.046 0.000 0.836 249 D CB -0.472 40.361 40.800 0.056 0.000 0.951 249 D HN 0.328 nan 8.370 nan 0.000 0.449 250 S N -0.195 115.322 115.700 -0.305 0.000 2.399 250 S HA -0.129 4.342 4.470 0.001 0.000 0.231 250 S C 1.822 175.843 174.600 -0.965 0.000 1.022 250 S CA 0.495 58.232 58.200 -0.772 0.000 0.983 250 S CB -0.159 62.699 63.200 -0.570 0.000 0.803 250 S HN 0.152 nan 8.310 nan 0.000 0.480 251 L N 1.266 122.088 121.223 -0.668 0.000 2.109 251 L HA 0.274 4.615 4.340 0.001 0.000 0.207 251 L C 2.340 178.944 176.870 -0.443 0.000 1.086 251 L CA 1.931 56.450 54.840 -0.536 0.000 0.760 251 L CB -0.765 41.040 42.059 -0.423 0.000 0.910 251 L HN 0.476 nan 8.230 nan 0.000 0.437 252 M N -0.852 118.500 119.600 -0.415 0.000 2.159 252 M HA -0.236 4.245 4.480 0.001 0.000 0.263 252 M C 2.172 178.023 176.300 -0.748 0.000 1.063 252 M CA 1.997 57.056 55.300 -0.402 0.000 1.110 252 M CB -0.096 32.373 32.600 -0.219 0.000 1.374 252 M HN 0.458 nan 8.290 nan 0.000 0.411 253 E N 0.360 119.960 120.200 -1.001 0.000 2.072 253 E HA -0.219 4.132 4.350 0.001 0.000 0.191 253 E C 2.070 178.340 176.600 -0.550 0.000 0.985 253 E CA 1.131 56.808 56.400 -1.205 0.000 0.801 253 E CB -0.251 28.982 29.700 -0.779 0.000 0.750 253 E HN 0.617 nan 8.360 nan 0.000 0.452 254 L N 0.943 121.929 121.223 -0.395 0.000 2.042 254 L HA -0.232 4.109 4.340 0.001 0.000 0.210 254 L C 2.063 178.870 176.870 -0.106 0.000 1.076 254 L CA 2.274 57.062 54.840 -0.087 0.000 0.749 254 L CB -0.379 41.638 42.059 -0.070 0.000 0.893 254 L HN 0.274 nan 8.230 nan 0.000 0.432 255 D N -0.466 119.801 120.400 -0.223 0.000 2.117 255 D HA -0.167 4.474 4.640 0.001 0.000 0.198 255 D C 2.118 178.332 176.300 -0.144 0.000 0.982 255 D CA 1.373 55.256 54.000 -0.195 0.000 0.828 255 D CB 0.145 40.821 40.800 -0.207 0.000 0.967 255 D HN 0.387 nan 8.370 nan 0.000 0.464 256 A N 0.339 123.041 122.820 -0.196 0.000 1.969 256 A HA 0.084 4.405 4.320 0.001 0.000 0.218 256 A C 2.336 179.921 177.584 0.002 0.000 1.169 256 A CA 1.822 53.819 52.037 -0.066 0.000 0.635 256 A CB -0.943 18.049 19.000 -0.014 0.000 0.810 256 A HN 0.320 nan 8.150 nan 0.000 0.445 257 A N -0.451 122.372 122.820 0.005 0.000 1.908 257 A HA -0.038 4.283 4.320 0.001 0.000 0.218 257 A C 2.211 179.843 177.584 0.081 0.000 1.181 257 A CA 1.837 53.926 52.037 0.086 0.000 0.627 257 A CB -0.896 18.231 19.000 0.212 0.000 0.818 257 A HN 0.381 nan 8.150 nan 0.000 0.445 258 V N -0.152 119.800 119.914 0.065 0.000 2.343 258 V HA -0.177 3.944 4.120 0.001 0.000 0.247 258 V C 2.810 178.901 176.094 -0.005 0.000 1.051 258 V CA 1.940 64.261 62.300 0.036 0.000 1.036 258 V CB -1.393 30.399 31.823 -0.051 0.000 0.654 258 V HN 0.620 nan 8.190 nan 0.000 0.451 259 G N -0.558 108.231 108.800 -0.019 0.000 2.418 259 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 259 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 259 G C 1.693 176.603 174.900 0.017 0.000 1.158 259 G CA 1.553 46.646 45.100 -0.012 0.000 0.771 259 G HN 0.469 nan 8.290 nan 0.000 0.545 260 T N 1.255 115.829 114.554 0.034 0.000 2.746 260 T HA -0.071 4.279 4.350 0.001 0.000 0.267 260 T C 2.288 177.012 174.700 0.041 0.000 1.039 260 T CA 0.823 62.949 62.100 0.043 0.000 1.142 260 T CB -0.169 68.729 68.868 0.051 0.000 0.866 260 T HN 0.035 nan 8.240 nan 0.000 0.444 261 L N 0.736 121.978 121.223 0.031 0.000 2.083 261 L HA 0.047 4.387 4.340 0.001 0.000 0.209 261 L C 2.315 179.216 176.870 0.051 0.000 1.083 261 L CA 1.472 56.332 54.840 0.033 0.000 0.752 261 L CB -0.887 41.196 42.059 0.040 0.000 0.899 261 L HN 0.251 nan 8.230 nan 0.000 0.433 262 M N -1.558 118.064 119.600 0.037 0.000 2.200 262 M HA -0.086 4.394 4.480 0.001 0.000 0.265 262 M C 2.199 178.536 176.300 0.061 0.000 1.066 262 M CA 1.336 56.660 55.300 0.040 0.000 1.127 262 M CB -1.621 30.963 32.600 -0.025 0.000 1.379 262 M HN 0.181 nan 8.290 nan 0.000 0.420 263 T N 1.281 115.867 114.554 0.052 0.000 2.708 263 T HA -0.053 4.297 4.350 0.001 0.000 0.266 263 T C 1.922 176.667 174.700 0.075 0.000 1.037 263 T CA 1.695 63.831 62.100 0.062 0.000 1.146 263 T CB -0.345 68.556 68.868 0.055 0.000 0.865 263 T HN 0.469 nan 8.240 nan 0.000 0.435 264 A N 0.956 123.824 122.820 0.079 0.000 1.940 264 A HA -0.051 4.270 4.320 0.001 0.000 0.219 264 A C 2.259 179.867 177.584 0.041 0.000 1.176 264 A CA 1.284 53.367 52.037 0.077 0.000 0.631 264 A CB -0.801 18.240 19.000 0.068 0.000 0.814 264 A HN 0.547 nan 8.150 nan 0.000 0.446 265 I N -0.717 119.897 120.570 0.072 0.000 2.439 265 I HA -0.125 4.046 4.170 0.001 0.000 0.251 265 I C 2.583 178.769 176.117 0.114 0.000 1.139 265 I CA 0.756 62.126 61.300 0.116 0.000 1.438 265 I CB -0.483 37.621 38.000 0.173 0.000 1.085 265 I HN 0.402 nan 8.210 nan 0.000 0.427 266 G N 0.801 109.664 108.800 0.105 0.000 2.637 266 G HA2 -0.258 3.703 3.960 0.001 0.000 0.215 266 G HA3 -0.258 3.703 3.960 0.001 0.000 0.215 266 G C 1.159 176.109 174.900 0.082 0.000 1.289 266 G CA 1.008 46.167 45.100 0.099 0.000 0.816 266 G HN 0.240 nan 8.290 nan 0.000 0.580 267 D N 0.673 121.118 120.400 0.074 0.000 2.345 267 D HA -0.165 4.476 4.640 0.001 0.000 0.190 267 D C 2.235 178.571 176.300 0.059 0.000 1.024 267 D CA 1.041 55.083 54.000 0.069 0.000 0.893 267 D CB -0.434 40.418 40.800 0.086 0.000 0.907 267 D HN 0.345 nan 8.370 nan 0.000 0.452 268 L N -0.807 120.446 121.223 0.050 0.000 2.627 268 L HA 0.234 4.575 4.340 0.001 0.000 0.232 268 L C 1.310 178.216 176.870 0.061 0.000 1.150 268 L CA 0.210 55.074 54.840 0.041 0.000 0.917 268 L CB -0.496 41.570 42.059 0.011 0.000 1.104 268 L HN 0.076 nan 8.230 nan 0.000 0.445 269 G N 1.277 110.120 108.800 0.072 0.000 2.305 269 G HA2 -0.278 3.683 3.960 0.001 0.000 0.287 269 G HA3 -0.278 3.683 3.960 0.001 0.000 0.287 269 G C 0.495 175.453 174.900 0.098 0.000 1.036 269 G CA 0.313 45.461 45.100 0.080 0.000 0.887 269 G HN 0.445 nan 8.290 nan 0.000 0.505 270 L N -0.908 120.386 121.223 0.119 0.000 2.808 270 L HA 0.329 4.670 4.340 0.001 0.000 0.246 270 L C 2.573 179.539 176.870 0.161 0.000 1.153 270 L CA -0.435 54.487 54.840 0.137 0.000 0.956 270 L CB -0.118 42.041 42.059 0.167 0.000 1.270 270 L HN 0.255 nan 8.230 nan 0.000 0.528 271 L N 0.470 121.797 121.223 0.174 0.000 1.997 271 L HA -0.246 4.095 4.340 0.001 0.000 0.216 271 L C 2.152 179.172 176.870 0.250 0.000 1.074 271 L CA 1.805 56.776 54.840 0.219 0.000 0.763 271 L CB -0.280 41.905 42.059 0.210 0.000 0.890 271 L HN 0.418 nan 8.230 nan 0.000 0.434 272 E N -0.436 119.906 120.200 0.238 0.000 2.511 272 E HA -0.123 4.228 4.350 0.001 0.000 0.196 272 E C 1.057 177.924 176.600 0.444 0.000 1.066 272 E CA 0.397 56.995 56.400 0.330 0.000 0.871 272 E CB 0.109 29.953 29.700 0.240 0.000 0.863 272 E HN 0.606 nan 8.360 nan 0.000 0.520 273 E N 0.317 120.683 120.200 0.276 0.000 2.526 273 E HA 0.073 4.424 4.350 0.001 0.000 0.208 273 E C -0.372 176.174 176.600 -0.090 0.000 0.997 273 E CA 0.093 56.601 56.400 0.179 0.000 0.961 273 E CB 1.025 30.783 29.700 0.097 0.000 1.030 273 E HN -0.078 nan 8.360 nan 0.000 0.483 274 T N 1.576 116.060 114.554 -0.116 0.000 2.786 274 T HA 0.299 4.649 4.350 0.001 0.000 0.283 274 T C -0.807 173.584 174.700 -0.515 0.000 0.992 274 T CA -0.661 61.250 62.100 -0.314 0.000 0.954 274 T CB 1.506 70.354 68.868 -0.034 0.000 0.934 274 T HN -0.048 nan 8.240 nan 0.000 0.440 275 L N 5.694 126.442 121.223 -0.791 0.000 2.283 275 L HA 0.520 4.860 4.340 0.001 0.000 0.287 275 L C -0.791 176.027 176.870 -0.087 0.000 1.073 275 L CA -0.146 54.358 54.840 -0.559 0.000 0.822 275 L CB 0.199 41.833 42.059 -0.707 0.000 1.186 275 L HN 0.429 nan 8.230 nan 0.000 0.436 276 V N 7.271 127.270 119.914 0.142 0.000 2.370 276 V HA 0.457 4.578 4.120 0.001 0.000 0.283 276 V C 0.234 176.474 176.094 0.242 0.000 1.023 276 V CA -0.432 61.999 62.300 0.219 0.000 0.857 276 V CB 1.231 33.218 31.823 0.273 0.000 0.985 276 V HN 0.610 nan 8.190 nan 0.000 0.443 277 I N 5.246 125.942 120.570 0.210 0.000 2.404 277 I HA 0.494 4.665 4.170 0.001 0.000 0.293 277 I C -0.917 175.341 176.117 0.234 0.000 0.992 277 I CA -0.444 60.972 61.300 0.193 0.000 1.149 277 I CB 1.832 39.903 38.000 0.118 0.000 1.315 277 I HN 0.574 nan 8.210 nan 0.000 0.446 278 F N 6.072 126.051 119.950 0.048 0.000 2.493 278 F HA 0.682 5.210 4.527 0.001 0.000 0.329 278 F C -0.378 175.396 175.800 -0.044 0.000 1.126 278 F CA 0.099 58.120 58.000 0.034 0.000 0.937 278 F CB 1.433 40.452 39.000 0.032 0.000 1.146 278 F HN 0.519 nan 8.300 nan 0.000 0.442 279 T N 2.818 117.015 114.554 -0.595 0.000 2.618 279 T HA 0.926 5.277 4.350 0.001 0.000 0.293 279 T C -1.183 173.149 174.700 -0.613 0.000 1.093 279 T CA -0.816 60.984 62.100 -0.501 0.000 1.061 279 T CB 1.233 70.013 68.868 -0.146 0.000 1.498 279 T HN 0.796 nan 8.240 nan 0.000 0.494 280 A N 0.511 123.102 122.820 -0.382 0.000 2.587 280 A HA 0.677 4.998 4.320 0.001 0.000 0.293 280 A C 0.162 177.364 177.584 -0.636 0.000 1.087 280 A CA -0.405 51.273 52.037 -0.598 0.000 0.692 280 A CB 1.237 20.010 19.000 -0.379 0.000 1.291 280 A HN 0.838 nan 8.150 nan 0.000 0.407 281 D N 0.233 120.123 120.400 -0.849 0.000 2.213 281 D HA -0.004 4.636 4.640 0.001 0.000 0.205 281 D C 0.254 176.492 176.300 -0.103 0.000 0.961 281 D CA 1.333 55.019 54.000 -0.524 0.000 0.853 281 D CB -0.067 40.438 40.800 -0.492 0.000 0.967 281 D HN 0.717 nan 8.370 nan 0.000 0.496 282 N N -1.544 117.099 118.700 -0.096 0.000 3.348 282 N HA 0.235 4.976 4.740 0.001 0.000 0.233 282 N C 0.069 175.572 175.510 -0.012 0.000 1.440 282 N CA -0.530 52.513 53.050 -0.012 0.000 0.887 282 N CB 0.890 39.373 38.487 -0.007 0.000 1.410 282 N HN 0.015 nan 8.380 nan 0.000 0.502 283 G N -0.238 108.573 108.800 0.019 0.000 2.583 283 G HA2 0.379 4.340 3.960 0.001 0.000 0.275 283 G HA3 0.379 4.340 3.960 0.001 0.000 0.275 283 G C -2.452 172.459 174.900 0.018 0.000 1.342 283 G CA -0.727 44.390 45.100 0.028 0.000 1.030 283 G HN 0.538 nan 8.290 nan 0.000 0.520 284 P HA 0.186 nan 4.420 nan 0.000 0.278 284 P C -0.796 176.511 177.300 0.013 0.000 1.238 284 P CA -0.271 62.838 63.100 0.015 0.000 0.794 284 P CB 1.468 33.161 31.700 -0.012 0.000 0.955 285 E N 1.219 121.425 120.200 0.010 0.000 1.986 285 E HA 0.117 4.467 4.350 0.001 0.000 0.264 285 E C 0.829 177.433 176.600 0.008 0.000 1.023 285 E CA -0.233 56.184 56.400 0.028 0.000 0.834 285 E CB 0.013 29.723 29.700 0.018 0.000 1.111 285 E HN 0.377 nan 8.360 nan 0.000 0.417 286 T N 1.844 116.403 114.554 0.007 0.000 3.035 286 T HA -0.160 4.191 4.350 0.001 0.000 0.268 286 T C 1.730 176.414 174.700 -0.026 0.000 1.109 286 T CA 0.250 62.338 62.100 -0.020 0.000 1.119 286 T CB -0.012 68.850 68.868 -0.009 0.000 0.900 286 T HN 0.483 nan 8.240 nan 0.000 0.503 287 M N 1.125 120.714 119.600 -0.019 0.000 2.192 287 M HA -0.146 4.335 4.480 0.001 0.000 0.259 287 M C 1.501 177.762 176.300 -0.065 0.000 1.071 287 M CA 1.563 56.831 55.300 -0.053 0.000 1.082 287 M CB -0.311 32.254 32.600 -0.059 0.000 1.373 287 M HN 0.126 nan 8.290 nan 0.000 0.408 288 R N 0.315 120.785 120.500 -0.049 0.000 2.323 288 R HA 0.123 4.464 4.340 0.001 0.000 0.198 288 R C 1.131 177.424 176.300 -0.012 0.000 0.988 288 R CA 0.282 56.364 56.100 -0.030 0.000 1.041 288 R CB -0.856 29.462 30.300 0.031 0.000 0.926 288 R HN 0.603 nan 8.270 nan 0.000 0.476 289 M N -0.945 118.635 119.600 -0.033 0.000 7.319 289 M HA -0.362 4.119 4.480 0.001 0.000 0.311 289 M C 1.293 177.569 176.300 -0.040 0.000 0.480 289 M CA 2.152 57.432 55.300 -0.033 0.000 1.311 289 M CB -1.458 31.130 32.600 -0.021 0.000 0.421 289 M HN 0.254 nan 8.290 nan 0.000 0.799 290 S N 0.713 116.401 115.700 -0.020 0.000 2.603 290 S HA 0.089 4.560 4.470 0.001 0.000 0.229 290 S C 1.102 175.709 174.600 0.012 0.000 0.972 290 S CA 1.110 59.297 58.200 -0.022 0.000 0.935 290 S CB -0.336 62.865 63.200 0.002 0.000 0.769 290 S HN 0.529 nan 8.310 nan 0.000 0.536 291 R N 0.275 120.809 120.500 0.057 0.000 2.393 291 R HA 0.335 4.676 4.340 0.001 0.000 0.244 291 R C 0.929 177.361 176.300 0.220 0.000 0.920 291 R CA 0.201 56.410 56.100 0.180 0.000 1.076 291 R CB 0.740 31.169 30.300 0.215 0.000 1.119 291 R HN 0.464 nan 8.270 nan 0.000 0.524 292 G N -0.909 107.874 108.800 -0.028 0.000 2.644 292 G HA2 0.526 4.487 3.960 0.001 0.000 0.307 292 G HA3 0.526 4.487 3.960 0.001 0.000 0.307 292 G C -0.084 174.382 174.900 -0.723 0.000 1.250 292 G CA -0.580 44.441 45.100 -0.132 0.000 0.996 292 G HN 0.127 nan 8.290 nan 0.000 0.489 293 G N -2.006 106.428 108.800 -0.610 0.000 2.525 293 G HA2 0.407 4.368 3.960 0.001 0.000 0.276 293 G HA3 0.407 4.368 3.960 0.001 0.000 0.276 293 G C -0.582 174.109 174.900 -0.348 0.000 1.388 293 G CA 0.198 44.882 45.100 -0.695 0.000 1.050 293 G HN 1.162 nan 8.290 nan 0.000 0.520 294 C N -0.528 118.672 119.300 -0.166 0.000 2.642 294 C HA 0.586 5.047 4.460 0.001 0.000 0.344 294 C C 1.120 176.138 174.990 0.046 0.000 1.110 294 C CA -0.107 58.891 59.018 -0.033 0.000 1.298 294 C CB 0.742 28.520 27.740 0.062 0.000 1.827 294 C HN 0.900 nan 8.230 nan 0.000 0.467 295 S N 4.176 119.906 115.700 0.049 0.000 2.634 295 S HA 0.456 4.927 4.470 0.001 0.000 0.221 295 S C 1.222 175.899 174.600 0.129 0.000 0.952 295 S CA 0.891 59.145 58.200 0.089 0.000 0.930 295 S CB -0.291 62.931 63.200 0.036 0.000 0.780 295 S HN 2.366 nan 8.310 nan 0.000 0.498 296 G N 3.298 112.174 108.800 0.127 0.000 2.629 296 G HA2 -0.412 3.549 3.960 0.001 0.000 0.313 296 G HA3 -0.412 3.549 3.960 0.001 0.000 0.313 296 G C 0.775 175.717 174.900 0.070 0.000 1.217 296 G CA 0.584 45.765 45.100 0.135 0.000 0.994 296 G HN 1.205 nan 8.290 nan 0.000 0.549 297 L N 0.008 121.278 121.223 0.079 0.000 2.418 297 L HA 0.519 4.859 4.340 0.001 0.000 0.218 297 L C 1.385 178.228 176.870 -0.045 0.000 1.125 297 L CA 0.157 55.004 54.840 0.012 0.000 0.835 297 L CB -0.424 41.650 42.059 0.025 0.000 0.953 297 L HN 0.423 nan 8.230 nan 0.000 0.454 298 L N 0.935 122.121 121.223 -0.062 0.000 2.464 298 L HA 0.294 4.635 4.340 0.001 0.000 0.264 298 L C 0.579 177.390 176.870 -0.099 0.000 1.199 298 L CA -0.357 54.415 54.840 -0.114 0.000 0.818 298 L CB 0.220 42.176 42.059 -0.172 0.000 1.102 298 L HN 0.123 nan 8.230 nan 0.000 0.473 299 R N 0.414 120.837 120.500 -0.127 0.000 2.349 299 R HA 0.434 4.775 4.340 0.001 0.000 0.299 299 R C -0.494 175.737 176.300 -0.116 0.000 1.027 299 R CA -0.156 55.837 56.100 -0.177 0.000 0.958 299 R CB 0.739 30.858 30.300 -0.302 0.000 1.047 299 R HN 0.849 nan 8.270 nan 0.000 0.468 300 c N 0.697 119.227 118.600 -0.118 0.000 0.168 300 c HA -0.126 4.444 4.570 0.001 0.000 0.017 300 c C 0.986 175.100 174.090 0.039 0.000 0.171 300 c CA 0.036 56.346 56.329 -0.032 0.000 0.499 300 c CB -1.452 41.044 42.510 -0.023 0.000 3.212 300 c HN 1.084 nan 8.230 nan 0.000 1.118 301 G N -0.455 108.397 108.800 0.086 0.000 2.896 301 G HA2 0.572 4.533 3.960 0.001 0.000 0.247 301 G HA3 0.572 4.533 3.960 0.001 0.000 0.247 301 G C -0.976 173.977 174.900 0.089 0.000 1.187 301 G CA 0.153 45.296 45.100 0.071 0.000 0.837 301 G HN 1.089 nan 8.290 nan 0.000 0.559 302 K N 0.199 120.636 120.400 0.062 0.000 2.550 302 K HA 0.345 4.666 4.320 0.001 0.000 0.280 302 K C 1.208 177.852 176.600 0.074 0.000 0.987 302 K CA 1.643 57.949 56.287 0.033 0.000 1.048 302 K CB -0.017 32.470 32.500 -0.022 0.000 0.879 302 K HN 1.693 nan 8.250 nan 0.000 0.491 303 G N 2.090 110.920 108.800 0.050 0.000 2.213 303 G HA2 -0.265 3.696 3.960 0.001 0.000 0.236 303 G HA3 -0.265 3.696 3.960 0.001 0.000 0.236 303 G C 0.071 175.066 174.900 0.158 0.000 0.991 303 G CA 0.404 45.576 45.100 0.120 0.000 0.629 303 G HN 0.922 nan 8.290 nan 0.000 0.517 304 T N -2.407 112.240 114.554 0.155 0.000 2.940 304 T HA 0.636 4.987 4.350 0.001 0.000 0.288 304 T C 1.039 175.805 174.700 0.110 0.000 1.045 304 T CA 0.770 62.976 62.100 0.176 0.000 1.018 304 T CB 1.706 70.756 68.868 0.303 0.000 1.151 304 T HN 0.820 nan 8.240 nan 0.000 0.529 305 T N -1.418 113.166 114.554 0.051 0.000 3.163 305 T HA 0.253 4.604 4.350 0.001 0.000 0.252 305 T C 0.055 174.677 174.700 -0.130 0.000 1.056 305 T CA -0.390 61.695 62.100 -0.026 0.000 0.947 305 T CB -0.926 67.995 68.868 0.087 0.000 1.016 305 T HN 0.580 nan 8.240 nan 0.000 0.554 306 Y N 2.127 122.486 120.300 0.098 0.000 2.330 306 Y HA 0.232 4.783 4.550 0.001 0.000 0.341 306 Y C 1.862 177.731 175.900 -0.052 0.000 1.278 306 Y CA -0.776 57.359 58.100 0.059 0.000 1.453 306 Y CB 0.542 39.003 38.460 0.001 0.000 1.342 306 Y HN -0.009 nan 8.280 nan 0.000 0.590 307 E N 1.175 121.437 120.200 0.103 0.000 2.110 307 E HA -0.149 4.202 4.350 0.001 0.000 0.193 307 E C 2.174 178.755 176.600 -0.032 0.000 0.988 307 E CA 1.244 57.637 56.400 -0.013 0.000 0.804 307 E CB -0.492 29.171 29.700 -0.061 0.000 0.745 307 E HN 1.005 nan 8.360 nan 0.000 0.458 308 G N 0.518 109.318 108.800 -0.000 0.000 2.509 308 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 308 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 308 G C 1.534 176.458 174.900 0.039 0.000 1.124 308 G CA 0.836 45.938 45.100 0.003 0.000 0.776 308 G HN 0.379 nan 8.290 nan 0.000 0.547 309 G N 0.275 109.112 108.800 0.062 0.000 2.411 309 G HA2 0.041 4.002 3.960 0.001 0.000 0.213 309 G HA3 0.041 4.002 3.960 0.001 0.000 0.213 309 G C 1.627 176.565 174.900 0.063 0.000 1.166 309 G CA 1.459 46.599 45.100 0.068 0.000 0.802 309 G HN 0.711 nan 8.290 nan 0.000 0.533 310 V N -2.719 117.226 119.914 0.050 0.000 3.643 310 V HA 0.468 4.589 4.120 0.001 0.000 0.280 310 V C 0.808 176.986 176.094 0.140 0.000 1.351 310 V CA -0.254 62.124 62.300 0.130 0.000 1.073 310 V CB -0.120 31.765 31.823 0.104 0.000 0.863 310 V HN 0.133 nan 8.190 nan 0.000 0.436 311 R N 1.498 121.989 120.500 -0.015 0.000 2.294 311 R HA 0.497 4.838 4.340 0.001 0.000 0.319 311 R C -0.694 175.647 176.300 0.069 0.000 0.984 311 R CA -0.283 55.694 56.100 -0.205 0.000 0.861 311 R CB 1.010 31.032 30.300 -0.465 0.000 1.104 311 R HN 0.417 nan 8.270 nan 0.000 0.451 312 E N 4.097 124.400 120.200 0.172 0.000 2.339 312 E HA 0.447 4.797 4.350 0.001 0.000 0.262 312 E C -2.488 174.162 176.600 0.083 0.000 0.934 312 E CA -2.345 54.154 56.400 0.165 0.000 0.802 312 E CB 1.497 31.293 29.700 0.160 0.000 1.275 312 E HN 0.478 nan 8.360 nan 0.000 0.427 313 P HA 0.298 nan 4.420 nan 0.000 0.272 313 P C -1.284 175.949 177.300 -0.112 0.000 1.223 313 P CA -0.185 62.670 63.100 -0.408 0.000 0.784 313 P CB 0.570 31.949 31.700 -0.535 0.000 0.923 314 A N 2.448 125.300 122.820 0.054 0.000 2.512 314 A HA 0.642 4.963 4.320 0.001 0.000 0.294 314 A C -1.566 176.127 177.584 0.182 0.000 1.054 314 A CA -0.490 51.430 52.037 -0.194 0.000 0.756 314 A CB 0.598 18.973 19.000 -1.042 0.000 1.293 314 A HN 0.390 nan 8.150 nan 0.000 0.395 315 L N 1.326 122.672 121.223 0.205 0.000 2.401 315 L HA 0.906 5.247 4.340 0.001 0.000 0.266 315 L C 0.093 177.154 176.870 0.318 0.000 0.991 315 L CA -0.828 54.210 54.840 0.330 0.000 0.818 315 L CB 2.372 44.600 42.059 0.283 0.000 1.321 315 L HN 0.946 nan 8.230 nan 0.000 0.413 316 A N 2.436 125.496 122.820 0.400 0.000 2.374 316 A HA 0.830 5.150 4.320 0.001 0.000 0.305 316 A C -1.661 176.176 177.584 0.423 0.000 1.053 316 A CA -0.333 51.938 52.037 0.389 0.000 0.726 316 A CB 1.424 20.689 19.000 0.442 0.000 1.229 316 A HN 0.558 nan 8.150 nan 0.000 0.431 317 F N 2.823 122.912 119.950 0.232 0.000 2.573 317 F HA 0.704 5.232 4.527 0.001 0.000 0.316 317 F C -1.977 174.012 175.800 0.316 0.000 1.148 317 F CA -0.573 57.567 58.000 0.233 0.000 0.940 317 F CB 1.765 40.870 39.000 0.174 0.000 1.214 317 F HN 0.638 nan 8.300 nan 0.000 0.448 318 W N 9.868 130.948 121.300 -0.367 0.000 2.055 318 W HA 0.371 5.031 4.660 0.001 0.000 0.291 318 W C -3.118 173.251 176.519 -0.250 0.000 1.037 318 W CA -2.683 54.526 57.345 -0.227 0.000 1.061 318 W CB 0.479 29.901 29.460 -0.063 0.000 0.994 318 W HN 0.343 nan 8.180 nan 0.000 0.273 319 P HA 0.181 nan 4.420 nan 0.000 0.261 319 P C 0.926 178.200 177.300 -0.043 0.000 1.165 319 P CA 2.999 66.001 63.100 -0.163 0.000 0.759 319 P CB 0.585 32.237 31.700 -0.081 0.000 0.772 320 G N 1.923 110.630 108.800 -0.155 0.000 2.166 320 G HA2 -0.305 3.656 3.960 0.001 0.000 0.260 320 G HA3 -0.305 3.656 3.960 0.001 0.000 0.260 320 G C 0.542 175.088 174.900 -0.590 0.000 0.986 320 G CA 0.768 45.696 45.100 -0.285 0.000 0.683 320 G HN 0.685 nan 8.290 nan 0.000 0.527 321 H N -1.401 117.375 119.070 -0.491 0.000 2.602 321 H HA 0.420 4.976 4.556 0.001 0.000 0.222 321 H C 0.904 176.007 175.328 -0.374 0.000 0.886 321 H CA 0.192 55.846 56.048 -0.657 0.000 1.008 321 H CB 0.656 29.482 29.762 -1.561 0.000 1.380 321 H HN 0.376 nan 8.280 nan 0.000 0.417 322 I N 1.855 122.356 120.570 -0.115 0.000 2.354 322 I HA 0.465 4.636 4.170 0.001 0.000 0.286 322 I C -0.233 175.854 176.117 -0.051 0.000 1.007 322 I CA -0.963 60.327 61.300 -0.017 0.000 1.167 322 I CB 1.496 39.561 38.000 0.109 0.000 1.320 322 I HN 0.181 nan 8.210 nan 0.000 0.458 323 A N 8.393 131.182 122.820 -0.052 0.000 2.388 323 A HA 0.565 4.886 4.320 0.001 0.000 0.257 323 A C -2.356 175.213 177.584 -0.026 0.000 1.095 323 A CA -1.223 50.783 52.037 -0.051 0.000 0.791 323 A CB -0.321 18.647 19.000 -0.054 0.000 1.029 323 A HN 0.415 nan 8.150 nan 0.000 0.489 324 P HA 0.384 nan 4.420 nan 0.000 0.264 324 P C 0.496 177.787 177.300 -0.014 0.000 1.183 324 P CA 0.967 64.073 63.100 0.010 0.000 0.763 324 P CB 0.749 32.461 31.700 0.020 0.000 0.807 325 G N 0.463 109.249 108.800 -0.023 0.000 2.341 325 G HA2 0.436 4.397 3.960 0.001 0.000 0.299 325 G HA3 0.436 4.397 3.960 0.001 0.000 0.299 325 G C -2.033 172.809 174.900 -0.096 0.000 1.274 325 G CA -0.489 44.575 45.100 -0.060 0.000 0.853 325 G HN 0.366 nan 8.290 nan 0.000 0.493 326 V N 0.801 120.626 119.914 -0.147 0.000 2.577 326 V HA 0.717 4.838 4.120 0.001 0.000 0.303 326 V C -0.159 175.738 176.094 -0.327 0.000 1.042 326 V CA -0.494 61.675 62.300 -0.218 0.000 0.872 326 V CB 1.658 33.357 31.823 -0.206 0.000 0.998 326 V HN 1.053 nan 8.190 nan 0.000 0.423 327 T N 1.489 115.818 114.554 -0.375 0.000 2.918 327 T HA 0.554 4.904 4.350 0.001 0.000 0.286 327 T C 0.192 174.703 174.700 -0.315 0.000 1.026 327 T CA -0.481 61.402 62.100 -0.361 0.000 1.031 327 T CB 1.843 70.494 68.868 -0.362 0.000 1.046 327 T HN 0.735 nan 8.240 nan 0.000 0.479 328 H N -1.260 117.831 119.070 0.036 0.000 2.893 328 H HA 0.251 4.808 4.556 0.001 0.000 0.270 328 H C 0.348 175.755 175.328 0.133 0.000 1.095 328 H CA -0.436 55.674 56.048 0.103 0.000 1.186 328 H CB 0.686 30.495 29.762 0.077 0.000 1.562 328 H HN 0.552 nan 8.280 nan 0.000 0.536 329 E N 1.649 121.958 120.200 0.182 0.000 2.418 329 E HA 0.064 4.415 4.350 0.001 0.000 0.261 329 E C -0.270 176.497 176.600 0.279 0.000 1.070 329 E CA -0.161 56.352 56.400 0.187 0.000 0.931 329 E CB 1.274 31.046 29.700 0.121 0.000 0.954 329 E HN 0.267 nan 8.360 nan 0.000 0.439 330 L N 1.642 123.004 121.223 0.231 0.000 2.410 330 L HA 0.334 4.675 4.340 0.001 0.000 0.273 330 L C 0.112 177.145 176.870 0.271 0.000 1.152 330 L CA -0.111 54.881 54.840 0.254 0.000 0.855 330 L CB 0.424 42.568 42.059 0.142 0.000 1.129 330 L HN 0.563 nan 8.230 nan 0.000 0.463 331 A N 2.874 125.875 122.820 0.302 0.000 2.574 331 A HA 0.715 5.036 4.320 0.001 0.000 0.297 331 A C -0.947 176.536 177.584 -0.168 0.000 1.062 331 A CA -0.429 51.727 52.037 0.199 0.000 0.686 331 A CB 2.209 21.486 19.000 0.462 0.000 1.285 331 A HN 0.529 nan 8.150 nan 0.000 0.403 332 S N -0.486 115.027 115.700 -0.310 0.000 2.595 332 S HA 0.574 5.045 4.470 0.001 0.000 0.281 332 S C 1.253 175.570 174.600 -0.471 0.000 1.117 332 S CA 0.331 58.225 58.200 -0.511 0.000 0.873 332 S CB 1.556 64.662 63.200 -0.155 0.000 1.108 332 S HN 1.852 nan 8.310 nan 0.000 0.477 333 S N 2.759 118.245 115.700 -0.357 0.000 2.419 333 S HA -0.083 4.388 4.470 0.001 0.000 0.233 333 S C 1.736 176.322 174.600 -0.022 0.000 1.016 333 S CA 0.760 58.979 58.200 0.031 0.000 0.974 333 S CB -0.530 62.761 63.200 0.151 0.000 0.786 333 S HN 0.581 nan 8.310 nan 0.000 0.492 334 L N 2.521 123.705 121.223 -0.065 0.000 2.261 334 L HA -0.045 4.296 4.340 0.001 0.000 0.216 334 L C 1.454 178.280 176.870 -0.073 0.000 1.114 334 L CA 1.517 56.310 54.840 -0.078 0.000 0.777 334 L CB -1.071 40.937 42.059 -0.085 0.000 0.910 334 L HN 0.336 nan 8.230 nan 0.000 0.440 335 D N -1.797 118.589 120.400 -0.023 0.000 2.348 335 D HA -0.032 4.609 4.640 0.001 0.000 0.211 335 D C 2.176 178.491 176.300 0.025 0.000 0.998 335 D CA 0.099 54.114 54.000 0.025 0.000 0.873 335 D CB 0.386 41.263 40.800 0.128 0.000 0.925 335 D HN 0.154 nan 8.370 nan 0.000 0.524 336 L N 1.239 122.469 121.223 0.012 0.000 2.046 336 L HA -0.138 4.203 4.340 0.001 0.000 0.208 336 L C 2.162 178.984 176.870 -0.079 0.000 1.077 336 L CA 1.047 55.881 54.840 -0.010 0.000 0.747 336 L CB -0.958 41.093 42.059 -0.014 0.000 0.896 336 L HN 0.125 nan 8.230 nan 0.000 0.432 337 L N 1.246 122.400 121.223 -0.115 0.000 1.955 337 L HA -0.078 4.262 4.340 0.001 0.000 0.213 337 L C -0.524 176.270 176.870 -0.126 0.000 1.072 337 L CA 2.320 57.066 54.840 -0.156 0.000 0.755 337 L CB -2.851 39.111 42.059 -0.162 0.000 0.888 337 L HN 0.183 nan 8.230 nan 0.000 0.432 338 P HA -0.109 nan 4.420 nan 0.000 0.218 338 P C 1.655 178.942 177.300 -0.022 0.000 1.148 338 P CA 1.934 65.000 63.100 -0.057 0.000 0.822 338 P CB -0.367 31.304 31.700 -0.048 0.000 0.784 339 T N -0.135 114.420 114.554 0.001 0.000 2.821 339 T HA -0.026 4.325 4.350 0.001 0.000 0.267 339 T C 1.823 176.518 174.700 -0.009 0.000 1.046 339 T CA 0.993 63.114 62.100 0.035 0.000 1.139 339 T CB -0.669 68.246 68.868 0.078 0.000 0.871 339 T HN 0.082 nan 8.240 nan 0.000 0.454 340 L N 0.551 121.726 121.223 -0.080 0.000 2.131 340 L HA 0.079 4.420 4.340 0.001 0.000 0.206 340 L C 3.068 179.833 176.870 -0.174 0.000 1.087 340 L CA 0.804 55.550 54.840 -0.157 0.000 0.767 340 L CB -0.746 41.155 42.059 -0.263 0.000 0.917 340 L HN 0.214 nan 8.230 nan 0.000 0.441 341 A N 0.745 123.467 122.820 -0.163 0.000 1.849 341 A HA -0.296 4.025 4.320 0.001 0.000 0.217 341 A C 2.573 180.116 177.584 -0.067 0.000 1.202 341 A CA 2.299 54.255 52.037 -0.135 0.000 0.629 341 A CB -1.070 17.862 19.000 -0.113 0.000 0.834 341 A HN 0.386 nan 8.150 nan 0.000 0.447 342 A N -1.035 121.767 122.820 -0.030 0.000 1.915 342 A HA -0.182 4.139 4.320 0.001 0.000 0.220 342 A C 2.053 179.655 177.584 0.030 0.000 1.198 342 A CA 2.111 54.154 52.037 0.011 0.000 0.647 342 A CB -0.718 18.303 19.000 0.034 0.000 0.825 342 A HN 0.482 nan 8.150 nan 0.000 0.456 343 L N -1.144 120.097 121.223 0.031 0.000 2.131 343 L HA -0.065 4.276 4.340 0.001 0.000 0.210 343 L C 2.602 179.506 176.870 0.057 0.000 1.092 343 L CA 1.857 56.737 54.840 0.068 0.000 0.759 343 L CB -0.923 41.164 42.059 0.047 0.000 0.903 343 L HN 0.441 nan 8.230 nan 0.000 0.435 344 A N -1.913 120.914 122.820 0.012 0.000 2.308 344 A HA 0.462 4.783 4.320 0.001 0.000 0.217 344 A C 1.562 179.184 177.584 0.065 0.000 1.216 344 A CA 0.529 52.604 52.037 0.064 0.000 0.864 344 A CB -0.394 18.604 19.000 -0.004 0.000 0.902 344 A HN 0.481 nan 8.150 nan 0.000 0.499 345 G N -1.034 107.787 108.800 0.035 0.000 2.221 345 G HA2 0.091 4.052 3.960 0.001 0.000 0.265 345 G HA3 0.091 4.052 3.960 0.001 0.000 0.265 345 G C 0.292 175.201 174.900 0.015 0.000 1.041 345 G CA 0.490 45.608 45.100 0.031 0.000 0.807 345 G HN 1.575 nan 8.290 nan 0.000 0.502 346 A N 0.387 123.200 122.820 -0.012 0.000 2.312 346 A HA 0.889 5.210 4.320 0.001 0.000 0.326 346 A C -1.358 176.204 177.584 -0.038 0.000 1.172 346 A CA -1.304 50.714 52.037 -0.031 0.000 0.821 346 A CB 1.298 20.252 19.000 -0.076 0.000 1.166 346 A HN 0.263 nan 8.150 nan 0.000 0.493 347 P HA 0.367 nan 4.420 nan 0.000 0.277 347 P C -0.719 176.553 177.300 -0.048 0.000 1.240 347 P CA -0.225 62.856 63.100 -0.031 0.000 0.798 347 P CB 0.672 32.359 31.700 -0.021 0.000 0.979 348 L N 3.530 124.726 121.223 -0.045 0.000 2.395 348 L HA 0.309 4.650 4.340 0.001 0.000 0.269 348 L C -1.431 175.407 176.870 -0.054 0.000 1.133 348 L CA -1.950 52.855 54.840 -0.058 0.000 0.812 348 L CB -0.296 41.730 42.059 -0.054 0.000 1.125 348 L HN 0.320 nan 8.230 nan 0.000 0.452 349 P HA -0.046 nan 4.420 nan 0.000 0.269 349 P C -0.754 176.517 177.300 -0.048 0.000 1.211 349 P CA -0.099 62.968 63.100 -0.056 0.000 0.781 349 P CB 0.433 32.094 31.700 -0.065 0.000 0.877 350 N N 0.035 118.712 118.700 -0.039 0.000 3.250 350 N HA 0.260 5.001 4.740 0.001 0.000 0.307 350 N C -0.613 174.875 175.510 -0.037 0.000 1.355 350 N CA -0.260 52.770 53.050 -0.034 0.000 1.192 350 N CB -0.408 38.063 38.487 -0.026 0.000 1.478 350 N HN 0.176 nan 8.380 nan 0.000 0.543 351 V N -2.644 117.241 119.914 -0.048 0.000 3.102 351 V HA 0.597 4.718 4.120 0.001 0.000 0.312 351 V C 0.487 176.544 176.094 -0.062 0.000 1.135 351 V CA -1.230 61.039 62.300 -0.052 0.000 1.022 351 V CB 1.207 32.996 31.823 -0.057 0.000 1.056 351 V HN 0.184 nan 8.190 nan 0.000 0.436 352 T N 2.070 116.585 114.554 -0.064 0.000 2.799 352 T HA 0.518 4.869 4.350 0.001 0.000 0.296 352 T C -0.418 174.222 174.700 -0.100 0.000 0.947 352 T CA 0.005 62.059 62.100 -0.077 0.000 1.141 352 T CB -0.461 68.364 68.868 -0.071 0.000 0.891 352 T HN 0.610 nan 8.240 nan 0.000 0.533 353 L N 3.704 124.853 121.223 -0.122 0.000 2.334 353 L HA 0.498 4.838 4.340 0.001 0.000 0.272 353 L C 0.530 177.274 176.870 -0.210 0.000 1.020 353 L CA -0.929 53.817 54.840 -0.158 0.000 0.812 353 L CB 1.643 43.605 42.059 -0.162 0.000 1.264 353 L HN 0.676 nan 8.230 nan 0.000 0.439 354 D N 1.339 121.601 120.400 -0.231 0.000 2.501 354 D HA 0.234 4.875 4.640 0.001 0.000 0.224 354 D C 0.353 176.421 176.300 -0.386 0.000 1.202 354 D CA 0.189 54.033 54.000 -0.261 0.000 0.829 354 D CB 1.462 42.166 40.800 -0.160 0.000 1.023 354 D HN 0.666 nan 8.370 nan 0.000 0.499 355 G N -0.284 108.221 108.800 -0.490 0.000 2.816 355 G HA2 0.640 4.601 3.960 0.001 0.000 0.288 355 G HA3 0.640 4.601 3.960 0.001 0.000 0.288 355 G C -1.178 173.270 174.900 -0.752 0.000 1.334 355 G CA -0.528 44.274 45.100 -0.498 0.000 0.978 355 G HN -0.062 nan 8.290 nan 0.000 0.493 356 F N -1.282 118.674 119.950 0.009 0.000 2.650 356 F HA 0.419 4.946 4.527 0.001 0.000 0.320 356 F C -0.515 175.303 175.800 0.029 0.000 1.091 356 F CA -0.901 57.111 58.000 0.020 0.000 0.962 356 F CB 2.076 41.096 39.000 0.035 0.000 1.363 356 F HN 0.366 nan 8.300 nan 0.000 0.482 357 D N 1.304 121.847 120.400 0.237 0.000 2.317 357 D HA 0.228 4.868 4.640 0.001 0.000 0.252 357 D C 0.111 176.516 176.300 0.175 0.000 1.174 357 D CA 0.219 54.313 54.000 0.156 0.000 0.866 357 D CB 0.745 41.612 40.800 0.111 0.000 1.127 357 D HN 0.511 nan 8.370 nan 0.000 0.467 358 L N 3.101 124.430 121.223 0.177 0.000 2.685 358 L HA 0.038 4.379 4.340 0.001 0.000 0.233 358 L C 1.914 178.891 176.870 0.178 0.000 1.173 358 L CA -0.119 54.838 54.840 0.194 0.000 0.961 358 L CB -0.280 41.934 42.059 0.259 0.000 1.217 358 L HN 0.358 nan 8.230 nan 0.000 0.478 359 S N 0.116 115.906 115.700 0.149 0.000 2.370 359 S HA -0.089 4.382 4.470 0.001 0.000 0.226 359 S C -0.627 174.046 174.600 0.121 0.000 1.033 359 S CA 0.714 59.003 58.200 0.147 0.000 1.011 359 S CB -1.511 61.770 63.200 0.136 0.000 0.852 359 S HN 0.269 nan 8.310 nan 0.000 0.457 360 P HA -0.091 nan 4.420 nan 0.000 0.215 360 P C 1.773 179.113 177.300 0.066 0.000 1.157 360 P CA 0.694 63.834 63.100 0.068 0.000 0.874 360 P CB -0.161 31.573 31.700 0.056 0.000 0.790 361 L N -1.287 119.988 121.223 0.087 0.000 2.012 361 L HA -0.168 4.173 4.340 0.001 0.000 0.210 361 L C 2.087 179.006 176.870 0.081 0.000 1.073 361 L CA 1.972 56.860 54.840 0.080 0.000 0.748 361 L CB -1.455 40.677 42.059 0.120 0.000 0.891 361 L HN -0.142 nan 8.230 nan 0.000 0.431 362 L N -0.769 120.538 121.223 0.140 0.000 2.046 362 L HA -0.153 4.188 4.340 0.001 0.000 0.208 362 L C 2.282 179.212 176.870 0.100 0.000 1.077 362 L CA 1.701 56.638 54.840 0.162 0.000 0.747 362 L CB -0.952 41.254 42.059 0.243 0.000 0.896 362 L HN 0.279 nan 8.230 nan 0.000 0.432 363 L N -1.116 120.153 121.223 0.077 0.000 2.558 363 L HA 0.203 4.544 4.340 0.001 0.000 0.225 363 L C 1.274 178.140 176.870 -0.007 0.000 1.128 363 L CA 0.495 55.347 54.840 0.019 0.000 0.868 363 L CB -0.619 41.452 42.059 0.021 0.000 1.006 363 L HN 0.479 nan 8.230 nan 0.000 0.454 364 G N 0.993 109.796 108.800 0.005 0.000 2.225 364 G HA2 -0.309 3.651 3.960 0.001 0.000 0.264 364 G HA3 -0.309 3.651 3.960 0.001 0.000 0.264 364 G C 0.677 175.570 174.900 -0.010 0.000 1.060 364 G CA 0.625 45.718 45.100 -0.011 0.000 0.833 364 G HN 0.429 nan 8.290 nan 0.000 0.498 365 T N -3.641 110.914 114.554 0.002 0.000 3.043 365 T HA 0.614 4.965 4.350 0.001 0.000 0.272 365 T C 1.065 175.770 174.700 0.009 0.000 0.990 365 T CA 0.861 62.962 62.100 0.002 0.000 0.897 365 T CB 1.400 70.270 68.868 0.004 0.000 1.111 365 T HN 1.793 nan 8.240 nan 0.000 0.529 366 G N 0.158 108.967 108.800 0.015 0.000 2.606 366 G HA2 0.577 4.538 3.960 0.001 0.000 0.300 366 G HA3 0.577 4.538 3.960 0.001 0.000 0.300 366 G C -1.971 172.941 174.900 0.021 0.000 1.360 366 G CA -0.977 44.134 45.100 0.018 0.000 0.783 366 G HN 0.234 nan 8.290 nan 0.000 0.484 367 K N -0.203 120.209 120.400 0.019 0.000 2.211 367 K HA 0.633 4.954 4.320 0.001 0.000 0.237 367 K C 0.234 176.851 176.600 0.028 0.000 1.002 367 K CA -0.483 55.817 56.287 0.021 0.000 0.885 367 K CB 1.799 34.306 32.500 0.011 0.000 1.136 367 K HN 0.507 nan 8.250 nan 0.000 0.448 368 S N 1.495 117.220 115.700 0.041 0.000 2.549 368 S HA 0.105 4.576 4.470 0.001 0.000 0.283 368 S C -1.598 172.977 174.600 -0.041 0.000 1.320 368 S CA -1.134 57.092 58.200 0.043 0.000 1.058 368 S CB 0.425 63.681 63.200 0.092 0.000 0.882 368 S HN 0.366 nan 8.310 nan 0.000 0.498 369 P HA 0.050 nan 4.420 nan 0.000 0.241 369 P C 0.145 177.122 177.300 -0.539 0.000 1.191 369 P CA 0.229 63.165 63.100 -0.273 0.000 0.771 369 P CB 0.010 31.550 31.700 -0.266 0.000 0.929 370 R N 1.104 121.351 120.500 -0.420 0.000 2.298 370 R HA 0.100 4.441 4.340 0.001 0.000 0.310 370 R C 0.802 176.994 176.300 -0.180 0.000 1.068 370 R CA -0.001 55.855 56.100 -0.406 0.000 0.957 370 R CB 0.462 30.726 30.300 -0.059 0.000 1.003 370 R HN -0.089 nan 8.270 nan 0.000 0.454 371 Q N 1.223 120.929 119.800 -0.157 0.000 2.391 371 Q HA 0.229 4.570 4.340 0.001 0.000 0.243 371 Q C -0.139 175.818 176.000 -0.070 0.000 0.874 371 Q CA 0.435 56.192 55.803 -0.076 0.000 0.950 371 Q CB 1.124 29.827 28.738 -0.059 0.000 1.103 371 Q HN 0.475 nan 8.270 nan 0.000 0.544 372 S N 0.099 115.745 115.700 -0.089 0.000 2.599 372 S HA 0.772 5.243 4.470 0.001 0.000 0.294 372 S C -0.828 173.566 174.600 -0.343 0.000 1.094 372 S CA -0.566 57.494 58.200 -0.233 0.000 0.931 372 S CB 1.743 64.775 63.200 -0.280 0.000 1.093 372 S HN 0.049 nan 8.310 nan 0.000 0.488 373 L N 1.690 122.532 121.223 -0.637 0.000 2.422 373 L HA 0.639 4.979 4.340 0.001 0.000 0.264 373 L C -1.672 174.515 176.870 -1.139 0.000 0.984 373 L CA -0.352 54.040 54.840 -0.748 0.000 0.819 373 L CB 1.448 43.062 42.059 -0.742 0.000 1.330 373 L HN 0.558 nan 8.230 nan 0.000 0.410 374 F N 2.114 121.644 119.950 -0.700 0.000 2.482 374 F HA 0.615 5.142 4.527 0.001 0.000 0.331 374 F C -0.629 174.693 175.800 -0.797 0.000 1.115 374 F CA -0.454 57.199 58.000 -0.579 0.000 0.955 374 F CB 1.429 40.237 39.000 -0.320 0.000 1.136 374 F HN 0.072 nan 8.300 nan 0.000 0.452 375 F N 2.727 122.670 119.950 -0.013 0.000 2.449 375 F HA 0.497 5.025 4.527 0.002 0.000 0.342 375 F C -0.769 174.989 175.800 -0.070 0.000 1.127 375 F CA -1.260 56.736 58.000 -0.006 0.000 0.975 375 F CB 0.984 39.985 39.000 0.001 0.000 1.146 375 F HN 0.304 nan 8.300 nan 0.000 0.444 376 Y N 3.624 124.014 120.300 0.150 0.000 2.457 376 Y HA 0.516 5.066 4.550 0.001 0.000 0.333 376 Y C -2.038 173.797 175.900 -0.109 0.000 1.119 376 Y CA -2.274 55.816 58.100 -0.016 0.000 1.143 376 Y CB 1.249 39.644 38.460 -0.108 0.000 1.230 376 Y HN 0.351 nan 8.280 nan 0.000 0.469 377 P HA 0.160 nan 4.420 nan 0.000 0.277 377 P C 0.107 177.333 177.300 -0.123 0.000 1.271 377 P CA -0.238 62.676 63.100 -0.310 0.000 0.795 377 P CB 1.244 32.396 31.700 -0.914 0.000 1.101 378 S N -0.985 114.703 115.700 -0.021 0.000 2.370 378 S HA -0.138 4.333 4.470 0.001 0.000 0.226 378 S C 0.381 174.885 174.600 -0.160 0.000 1.033 378 S CA 1.602 59.799 58.200 -0.004 0.000 1.011 378 S CB -0.799 62.546 63.200 0.241 0.000 0.852 378 S HN 0.483 nan 8.310 nan 0.000 0.457 379 Y N 2.148 122.412 120.300 -0.060 0.000 2.944 379 Y HA 0.388 4.939 4.550 0.002 0.000 0.335 379 Y C -2.274 173.579 175.900 -0.079 0.000 1.075 379 Y CA -3.000 55.086 58.100 -0.024 0.000 1.240 379 Y CB 0.282 38.751 38.460 0.015 0.000 1.167 379 Y HN 0.166 nan 8.280 nan 0.000 0.555 380 P HA 0.298 nan 4.420 nan 0.000 0.278 380 P C -0.938 176.421 177.300 0.098 0.000 1.258 380 P CA -0.308 62.780 63.100 -0.020 0.000 0.811 380 P CB 2.022 33.633 31.700 -0.149 0.000 1.063 381 D N -2.781 117.693 120.400 0.124 0.000 2.609 381 D HA 0.166 4.807 4.640 0.001 0.000 0.239 381 D C 0.171 176.297 176.300 -0.289 0.000 1.229 381 D CA -0.701 53.278 54.000 -0.036 0.000 0.808 381 D CB 0.770 41.558 40.800 -0.021 0.000 1.448 381 D HN 0.217 nan 8.370 nan 0.000 0.433 382 E N 0.019 119.870 120.200 -0.583 0.000 2.358 382 E HA -0.006 4.345 4.350 0.001 0.000 0.195 382 E C 1.428 177.850 176.600 -0.296 0.000 1.010 382 E CA 0.333 56.319 56.400 -0.690 0.000 0.856 382 E CB 0.307 29.568 29.700 -0.733 0.000 0.795 382 E HN 0.377 nan 8.360 nan 0.000 0.504 383 V N 0.612 120.418 119.914 -0.181 0.000 2.346 383 V HA -0.176 3.945 4.120 0.001 0.000 0.244 383 V C 2.130 178.193 176.094 -0.052 0.000 1.037 383 V CA 1.551 63.795 62.300 -0.093 0.000 1.029 383 V CB -0.236 31.551 31.823 -0.060 0.000 0.663 383 V HN 0.182 nan 8.190 nan 0.000 0.454 384 R N -0.165 120.290 120.500 -0.076 0.000 2.093 384 R HA 0.245 4.586 4.340 0.001 0.000 0.224 384 R C 1.423 177.765 176.300 0.071 0.000 1.101 384 R CA 0.779 56.825 56.100 -0.090 0.000 0.979 384 R CB -0.390 29.636 30.300 -0.457 0.000 0.877 384 R HN 0.584 nan 8.270 nan 0.000 0.441 385 G N 0.651 109.512 108.800 0.102 0.000 2.598 385 G HA2 -0.308 3.652 3.960 0.001 0.000 0.244 385 G HA3 -0.308 3.652 3.960 0.001 0.000 0.244 385 G C -0.052 174.991 174.900 0.238 0.000 1.302 385 G CA -0.263 44.960 45.100 0.204 0.000 0.903 385 G HN 0.225 nan 8.290 nan 0.000 0.575 386 V N -1.253 118.657 119.914 -0.008 0.000 2.694 386 V HA 0.360 4.480 4.120 0.001 0.000 0.306 386 V C 1.485 177.746 176.094 0.279 0.000 1.054 386 V CA 0.733 62.899 62.300 -0.224 0.000 1.161 386 V CB 0.449 32.133 31.823 -0.231 0.000 0.916 386 V HN 0.673 nan 8.190 nan 0.000 0.490 387 F N 2.172 122.175 119.950 0.088 0.000 2.262 387 F HA 0.523 5.051 4.527 0.001 0.000 0.292 387 F C 1.294 177.313 175.800 0.364 0.000 1.081 387 F CA 0.627 58.818 58.000 0.319 0.000 1.355 387 F CB -0.068 39.083 39.000 0.252 0.000 1.069 387 F HN 0.784 nan 8.300 nan 0.000 0.506 388 A N -0.542 122.536 122.820 0.431 0.000 2.515 388 A HA 0.706 5.027 4.320 0.001 0.000 0.298 388 A C -1.627 176.139 177.584 0.305 0.000 1.059 388 A CA -0.507 51.698 52.037 0.280 0.000 0.698 388 A CB 1.514 20.487 19.000 -0.046 0.000 1.289 388 A HN -0.168 nan 8.150 nan 0.000 0.404 389 V N 1.543 121.590 119.914 0.222 0.000 2.709 389 V HA 0.672 4.793 4.120 0.001 0.000 0.308 389 V C -0.125 175.959 176.094 -0.016 0.000 1.062 389 V CA -0.637 61.679 62.300 0.028 0.000 0.901 389 V CB 1.926 33.787 31.823 0.065 0.000 1.003 389 V HN 1.010 nan 8.190 nan 0.000 0.425 390 R N 2.205 122.629 120.500 -0.127 0.000 2.494 390 R HA 0.787 5.128 4.340 0.001 0.000 0.305 390 R C -1.299 174.919 176.300 -0.136 0.000 0.959 390 R CA -0.189 55.870 56.100 -0.068 0.000 0.864 390 R CB 1.975 32.251 30.300 -0.040 0.000 1.159 390 R HN 0.749 nan 8.270 nan 0.000 0.446 391 T N 2.976 117.514 114.554 -0.026 0.000 2.937 391 T HA 0.486 4.837 4.350 0.001 0.000 0.297 391 T C 0.177 174.911 174.700 0.056 0.000 0.991 391 T CA 0.123 62.214 62.100 -0.015 0.000 0.990 391 T CB 1.572 70.439 68.868 -0.000 0.000 0.991 391 T HN 0.975 nan 8.240 nan 0.000 0.440 392 G N 3.862 112.677 108.800 0.025 0.000 2.591 392 G HA2 -0.342 3.619 3.960 0.001 0.000 0.298 392 G HA3 -0.342 3.619 3.960 0.001 0.000 0.298 392 G C 0.758 175.647 174.900 -0.019 0.000 1.195 392 G CA 0.819 45.932 45.100 0.022 0.000 0.989 392 G HN 0.946 nan 8.290 nan 0.000 0.551 393 K N -0.161 120.159 120.400 -0.134 0.000 2.374 393 K HA 0.361 4.682 4.320 0.001 0.000 0.196 393 K C -0.053 176.364 176.600 -0.306 0.000 1.023 393 K CA -0.033 56.115 56.287 -0.232 0.000 1.103 393 K CB 0.329 32.627 32.500 -0.336 0.000 0.848 393 K HN 0.428 nan 8.250 nan 0.000 0.528 394 Y N 2.300 122.618 120.300 0.030 0.000 2.334 394 Y HA 0.318 4.869 4.550 0.001 0.000 0.328 394 Y C -0.193 175.722 175.900 0.025 0.000 1.130 394 Y CA -0.813 57.304 58.100 0.029 0.000 1.163 394 Y CB 1.570 40.032 38.460 0.004 0.000 1.207 394 Y HN -0.091 nan 8.280 nan 0.000 0.471 395 K N 2.204 122.737 120.400 0.222 0.000 2.507 395 K HA 0.829 5.150 4.320 0.001 0.000 0.252 395 K C -1.545 175.114 176.600 0.098 0.000 0.943 395 K CA -0.647 55.716 56.287 0.127 0.000 0.808 395 K CB 1.107 33.670 32.500 0.105 0.000 1.142 395 K HN 0.770 nan 8.250 nan 0.000 0.426 396 A N 4.138 126.942 122.820 -0.027 0.000 2.305 396 A HA 0.423 4.743 4.320 0.001 0.000 0.322 396 A C -1.055 176.373 177.584 -0.259 0.000 1.187 396 A CA -0.601 51.317 52.037 -0.197 0.000 0.825 396 A CB 0.451 19.228 19.000 -0.372 0.000 1.164 396 A HN 0.833 nan 8.150 nan 0.000 0.498 397 H N 2.890 121.791 119.070 -0.282 0.000 2.595 397 H HA 0.273 4.830 4.556 0.002 0.000 0.313 397 H C -0.472 174.676 175.328 -0.299 0.000 1.023 397 H CA -0.111 55.851 56.048 -0.143 0.000 1.218 397 H CB 0.938 30.675 29.762 -0.041 0.000 1.403 397 H HN 0.727 nan 8.280 nan 0.000 0.477 398 F N 1.501 121.448 119.950 -0.005 0.000 2.512 398 F HA 0.093 4.621 4.527 0.001 0.000 0.296 398 F C 0.176 175.530 175.800 -0.743 0.000 1.110 398 F CA 0.524 58.357 58.000 -0.279 0.000 1.446 398 F CB 0.274 39.145 39.000 -0.215 0.000 1.092 398 F HN 0.274 nan 8.300 nan 0.000 0.554 399 F N -1.743 118.155 119.950 -0.087 0.000 2.619 399 F HA 0.507 5.034 4.527 0.001 0.000 0.308 399 F C -0.032 175.602 175.800 -0.277 0.000 1.097 399 F CA -1.040 56.686 58.000 -0.456 0.000 0.953 399 F CB 1.832 39.994 39.000 -1.398 0.000 1.287 399 F HN -0.552 nan 8.300 nan 0.000 0.446 400 T N 1.730 116.333 114.554 0.082 0.000 2.906 400 T HA 0.627 4.977 4.350 0.001 0.000 0.295 400 T C -1.788 173.049 174.700 0.229 0.000 1.061 400 T CA -0.574 61.632 62.100 0.177 0.000 1.000 400 T CB 2.071 71.123 68.868 0.306 0.000 1.103 400 T HN 0.672 nan 8.240 nan 0.000 0.486 401 Q N 0.897 120.858 119.800 0.269 0.000 2.468 401 Q HA 0.531 4.872 4.340 0.001 0.000 0.263 401 Q C -0.550 175.622 176.000 0.287 0.000 0.979 401 Q CA -0.725 55.248 55.803 0.282 0.000 0.932 401 Q CB 1.368 30.327 28.738 0.368 0.000 1.462 401 Q HN 0.884 nan 8.270 nan 0.000 0.403 402 G N 0.798 109.744 108.800 0.244 0.000 2.535 402 G HA2 0.567 4.528 3.960 0.001 0.000 0.282 402 G HA3 0.567 4.528 3.960 0.001 0.000 0.282 402 G C -0.830 174.190 174.900 0.201 0.000 1.350 402 G CA -0.026 45.216 45.100 0.237 0.000 1.039 402 G HN 0.421 nan 8.290 nan 0.000 0.509 403 S N -2.669 113.141 115.700 0.183 0.000 2.535 403 S HA 0.501 4.972 4.470 0.001 0.000 0.272 403 S C 0.885 175.549 174.600 0.106 0.000 1.149 403 S CA 0.418 58.716 58.200 0.163 0.000 0.888 403 S CB 1.353 64.692 63.200 0.231 0.000 1.110 403 S HN 1.338 nan 8.310 nan 0.000 0.463 404 A N 2.777 125.607 122.820 0.016 0.000 2.019 404 A HA -0.061 4.259 4.320 0.001 0.000 0.219 404 A C 1.563 179.088 177.584 -0.099 0.000 1.164 404 A CA 1.390 53.379 52.037 -0.080 0.000 0.644 404 A CB -0.898 18.001 19.000 -0.168 0.000 0.805 404 A HN 0.928 nan 8.150 nan 0.000 0.449 405 H N -0.657 118.433 119.070 0.034 0.000 2.491 405 H HA 0.039 4.596 4.556 0.002 0.000 0.290 405 H C 1.083 176.423 175.328 0.019 0.000 1.050 405 H CA 1.351 57.411 56.048 0.020 0.000 1.309 405 H CB 0.136 29.922 29.762 0.041 0.000 1.392 405 H HN 0.430 nan 8.280 nan 0.000 0.554 406 S N 0.536 116.326 115.700 0.150 0.000 2.575 406 S HA 0.055 4.526 4.470 0.001 0.000 0.237 406 S C 0.225 174.877 174.600 0.087 0.000 0.975 406 S CA -0.368 57.899 58.200 0.112 0.000 0.960 406 S CB 0.426 63.710 63.200 0.141 0.000 0.822 406 S HN 0.264 nan 8.310 nan 0.000 0.472 407 D N 1.822 122.236 120.400 0.024 0.000 2.369 407 D HA 0.170 4.810 4.640 0.001 0.000 0.241 407 D C 1.348 177.587 176.300 -0.102 0.000 1.271 407 D CA 1.627 55.580 54.000 -0.078 0.000 0.942 407 D CB 0.557 41.274 40.800 -0.140 0.000 1.129 407 D HN 0.340 nan 8.370 nan 0.000 0.476 408 T N -4.451 109.962 114.554 -0.236 0.000 5.979 408 T HA -0.201 4.150 4.350 0.001 0.000 0.273 408 T C 0.504 175.183 174.700 -0.035 0.000 2.195 408 T CA 1.620 63.626 62.100 -0.157 0.000 3.693 408 T CB -2.575 66.236 68.868 -0.096 0.000 0.944 408 T HN 0.584 nan 8.240 nan 0.000 1.117 409 T N -1.286 113.309 114.554 0.069 0.000 2.849 409 T HA 0.854 5.204 4.350 0.001 0.000 0.276 409 T C 1.689 176.496 174.700 0.178 0.000 0.971 409 T CA -0.075 62.079 62.100 0.090 0.000 0.949 409 T CB 1.346 70.243 68.868 0.050 0.000 1.093 409 T HN 1.031 nan 8.240 nan 0.000 0.545 410 A N -0.296 122.565 122.820 0.068 0.000 2.067 410 A HA 0.138 4.458 4.320 0.001 0.000 0.217 410 A C 1.090 178.659 177.584 -0.024 0.000 1.156 410 A CA 0.521 52.584 52.037 0.043 0.000 0.683 410 A CB -0.751 18.252 19.000 0.005 0.000 0.808 410 A HN 0.853 nan 8.150 nan 0.000 0.455 411 D N 0.240 120.594 120.400 -0.077 0.000 2.338 411 D HA 0.174 4.815 4.640 0.001 0.000 0.255 411 D C -1.518 174.535 176.300 -0.411 0.000 1.237 411 D CA -2.152 51.729 54.000 -0.198 0.000 0.883 411 D CB 1.167 41.849 40.800 -0.195 0.000 1.087 411 D HN 0.094 nan 8.370 nan 0.000 0.485 412 P HA -0.063 nan 4.420 nan 0.000 0.223 412 P C 0.851 177.869 177.300 -0.469 0.000 1.151 412 P CA 0.545 63.231 63.100 -0.689 0.000 0.787 412 P CB 0.171 31.680 31.700 -0.319 0.000 0.788 413 A N -0.730 121.909 122.820 -0.302 0.000 2.119 413 A HA -0.087 4.234 4.320 0.001 0.000 0.217 413 A C 2.210 179.745 177.584 -0.082 0.000 1.153 413 A CA 1.029 52.968 52.037 -0.163 0.000 0.692 413 A CB -1.559 17.307 19.000 -0.224 0.000 0.799 413 A HN 0.240 nan 8.150 nan 0.000 0.458 414 c N -0.679 117.837 118.600 -0.140 0.000 2.495 414 c HA 0.102 4.673 4.570 0.001 0.000 0.275 414 c C 1.185 175.391 174.090 0.192 0.000 1.392 414 c CA -0.576 55.776 56.329 0.037 0.000 1.766 414 c CB -1.585 40.941 42.510 0.026 0.000 1.933 414 c HN 0.602 nan 8.230 nan 0.000 0.519 415 H N -0.029 119.056 119.070 0.025 0.000 2.771 415 H HA 0.251 4.807 4.556 0.000 0.000 0.364 415 H C 1.373 176.726 175.328 0.042 0.000 1.133 415 H CA -0.025 56.037 56.048 0.024 0.000 1.423 415 H CB 0.765 30.532 29.762 0.007 0.000 1.425 415 H HN 0.261 nan 8.280 nan 0.000 0.606 416 A N 1.814 124.725 122.820 0.151 0.000 2.019 416 A HA -0.203 4.118 4.320 0.001 0.000 0.219 416 A C 2.251 179.886 177.584 0.085 0.000 1.164 416 A CA 1.673 53.761 52.037 0.086 0.000 0.644 416 A CB -0.710 18.304 19.000 0.023 0.000 0.805 416 A HN 0.756 nan 8.150 nan 0.000 0.449 417 S N -0.230 115.532 115.700 0.104 0.000 2.507 417 S HA 0.024 4.494 4.470 0.001 0.000 0.235 417 S C 0.809 175.457 174.600 0.081 0.000 0.988 417 S CA 0.570 58.819 58.200 0.082 0.000 0.944 417 S CB -0.385 62.866 63.200 0.085 0.000 0.762 417 S HN 0.296 nan 8.310 nan 0.000 0.526 418 S N 3.532 119.291 115.700 0.098 0.000 2.701 418 S HA 0.318 4.789 4.470 0.001 0.000 0.317 418 S C 0.453 175.114 174.600 0.103 0.000 1.149 418 S CA -0.592 57.662 58.200 0.090 0.000 1.052 418 S CB -0.017 63.241 63.200 0.097 0.000 1.257 418 S HN 0.565 nan 8.310 nan 0.000 0.532 419 S N 2.654 118.403 115.700 0.081 0.000 2.587 419 S HA 0.163 4.634 4.470 0.001 0.000 0.260 419 S C 0.298 174.959 174.600 0.101 0.000 1.353 419 S CA -0.884 57.364 58.200 0.079 0.000 0.995 419 S CB 0.143 63.375 63.200 0.054 0.000 0.912 419 S HN 0.547 nan 8.310 nan 0.000 0.568 420 L N 2.168 123.457 121.223 0.109 0.000 2.584 420 L HA 0.188 4.528 4.340 0.001 0.000 0.272 420 L C -0.142 176.780 176.870 0.087 0.000 1.195 420 L CA 1.234 56.157 54.840 0.138 0.000 0.920 420 L CB -0.858 41.285 42.059 0.141 0.000 1.173 420 L HN 0.752 nan 8.230 nan 0.000 0.489 421 T N 5.243 119.831 114.554 0.055 0.000 2.881 421 T HA 0.745 5.096 4.350 0.001 0.000 0.290 421 T C -0.281 174.256 174.700 -0.272 0.000 1.000 421 T CA -0.218 61.824 62.100 -0.096 0.000 0.978 421 T CB 1.494 70.280 68.868 -0.136 0.000 0.997 421 T HN 0.862 nan 8.240 nan 0.000 0.443 422 A N 2.539 125.191 122.820 -0.280 0.000 2.354 422 A HA 0.616 4.936 4.320 0.001 0.000 0.269 422 A C -0.668 176.468 177.584 -0.747 0.000 1.109 422 A CA -0.356 51.381 52.037 -0.501 0.000 0.800 422 A CB -0.014 18.841 19.000 -0.242 0.000 1.045 422 A HN 0.990 nan 8.150 nan 0.000 0.489 423 H N 0.542 119.389 119.070 -0.372 0.000 2.800 423 H HA 0.536 5.092 4.556 0.001 0.000 0.322 423 H C -1.134 174.052 175.328 -0.236 0.000 0.979 423 H CA -0.146 55.756 56.048 -0.244 0.000 1.277 423 H CB 1.368 30.996 29.762 -0.222 0.000 1.484 423 H HN 0.667 nan 8.280 nan 0.000 0.512 424 E N 4.027 124.187 120.200 -0.068 0.000 2.302 424 E HA 0.270 4.621 4.350 0.001 0.000 0.263 424 E C -2.295 174.281 176.600 -0.040 0.000 0.897 424 E CA -1.841 54.526 56.400 -0.055 0.000 0.809 424 E CB 1.079 30.752 29.700 -0.046 0.000 1.270 424 E HN 0.443 nan 8.360 nan 0.000 0.410 425 P HA 0.306 nan 4.420 nan 0.000 0.272 425 P C -2.571 174.651 177.300 -0.130 0.000 1.240 425 P CA -1.222 61.831 63.100 -0.078 0.000 0.791 425 P CB -0.025 31.622 31.700 -0.087 0.000 0.978 426 P HA 0.113 nan 4.420 nan 0.000 0.272 426 P C -0.062 177.043 177.300 -0.324 0.000 1.240 426 P CA -0.079 62.795 63.100 -0.377 0.000 0.791 426 P CB 0.578 31.770 31.700 -0.847 0.000 0.978 427 L N 1.105 122.121 121.223 -0.345 0.000 2.416 427 L HA 0.264 4.605 4.340 0.001 0.000 0.272 427 L C 0.571 177.174 176.870 -0.446 0.000 1.161 427 L CA -0.313 54.268 54.840 -0.432 0.000 0.845 427 L CB -0.049 41.748 42.059 -0.437 0.000 1.119 427 L HN 0.284 nan 8.230 nan 0.000 0.464 428 L N 4.278 125.132 121.223 -0.615 0.000 2.406 428 L HA 0.519 4.859 4.340 0.001 0.000 0.272 428 L C -1.385 175.184 176.870 -0.501 0.000 0.980 428 L CA -0.032 54.566 54.840 -0.404 0.000 0.831 428 L CB 1.435 43.340 42.059 -0.256 0.000 1.253 428 L HN 0.253 nan 8.230 nan 0.000 0.406 429 Y N 2.031 122.402 120.300 0.118 0.000 2.524 429 Y HA 0.522 5.072 4.550 0.001 0.000 0.344 429 Y C -0.484 175.509 175.900 0.155 0.000 1.012 429 Y CA -0.857 57.317 58.100 0.123 0.000 1.068 429 Y CB 1.737 40.254 38.460 0.095 0.000 1.249 429 Y HN 0.537 nan 8.280 nan 0.000 0.468 430 D N 2.312 122.869 120.400 0.262 0.000 2.427 430 D HA 0.232 4.872 4.640 0.001 0.000 0.226 430 D C 0.186 176.512 176.300 0.043 0.000 1.076 430 D CA -0.051 53.977 54.000 0.047 0.000 0.849 430 D CB 0.961 41.771 40.800 0.017 0.000 1.052 430 D HN 0.653 nan 8.370 nan 0.000 0.515 431 L N 2.632 123.857 121.223 0.003 0.000 2.395 431 L HA -0.086 4.254 4.340 0.001 0.000 0.218 431 L C 2.340 179.203 176.870 -0.012 0.000 1.130 431 L CA 0.608 55.462 54.840 0.022 0.000 0.826 431 L CB -0.267 41.822 42.059 0.050 0.000 0.941 431 L HN 0.377 nan 8.230 nan 0.000 0.451 432 S N -0.146 115.518 115.700 -0.060 0.000 2.402 432 S HA -0.149 4.322 4.470 0.001 0.000 0.229 432 S C 1.845 176.421 174.600 -0.039 0.000 1.021 432 S CA 0.768 58.928 58.200 -0.067 0.000 0.974 432 S CB -0.068 63.070 63.200 -0.104 0.000 0.800 432 S HN 0.438 nan 8.310 nan 0.000 0.484 433 K N 0.274 120.666 120.400 -0.014 0.000 2.335 433 K HA 0.185 4.506 4.320 0.001 0.000 0.195 433 K C -0.040 176.597 176.600 0.061 0.000 1.058 433 K CA 0.719 57.017 56.287 0.019 0.000 0.988 433 K CB 0.216 32.735 32.500 0.033 0.000 0.880 433 K HN 0.304 nan 8.250 nan 0.000 0.513 434 D N 0.954 121.398 120.400 0.074 0.000 2.613 434 D HA 0.122 4.762 4.640 0.001 0.000 0.312 434 D C -2.000 174.305 176.300 0.008 0.000 1.202 434 D CA -2.233 51.821 54.000 0.089 0.000 0.825 434 D CB 1.004 41.924 40.800 0.199 0.000 1.113 434 D HN -0.153 nan 8.370 nan 0.000 0.502 435 P HA -0.024 nan 4.420 nan 0.000 0.220 435 P C 1.439 178.675 177.300 -0.107 0.000 1.148 435 P CA 0.677 63.748 63.100 -0.049 0.000 0.803 435 P CB 0.141 31.816 31.700 -0.042 0.000 0.782 436 G N -0.067 108.656 108.800 -0.128 0.000 2.776 436 G HA2 -0.144 3.817 3.960 0.001 0.000 0.209 436 G HA3 -0.144 3.817 3.960 0.001 0.000 0.209 436 G C 0.325 175.034 174.900 -0.319 0.000 1.145 436 G CA -0.140 44.845 45.100 -0.192 0.000 0.791 436 G HN 0.287 nan 8.290 nan 0.000 0.530 437 E N -0.456 119.498 120.200 -0.410 0.000 2.269 437 E HA -0.198 4.153 4.350 0.001 0.000 0.223 437 E C 0.684 176.800 176.600 -0.807 0.000 1.244 437 E CA 0.204 56.074 56.400 -0.883 0.000 0.713 437 E CB -0.749 28.432 29.700 -0.865 0.000 1.178 437 E HN 0.433 nan 8.360 nan 0.000 0.370 438 N N -0.637 117.714 118.700 -0.582 0.000 2.432 438 N HA -0.012 4.729 4.740 0.001 0.000 0.174 438 N C -0.329 174.828 175.510 -0.588 0.000 1.037 438 N CA 0.852 53.468 53.050 -0.722 0.000 0.892 438 N CB 0.454 38.183 38.487 -1.263 0.000 1.049 438 N HN 0.182 nan 8.380 nan 0.000 0.442 439 Y N 1.259 121.712 120.300 0.255 0.000 2.447 439 Y HA 0.283 4.834 4.550 0.001 0.000 0.325 439 Y C 0.183 176.174 175.900 0.152 0.000 0.976 439 Y CA -1.299 56.914 58.100 0.189 0.000 1.280 439 Y CB 0.089 38.608 38.460 0.098 0.000 1.104 439 Y HN -0.096 nan 8.280 nan 0.000 0.486 440 N N 3.786 122.551 118.700 0.108 0.000 2.452 440 N HA 0.060 4.801 4.740 0.001 0.000 0.266 440 N C 0.701 176.147 175.510 -0.107 0.000 1.209 440 N CA -0.082 52.822 53.050 -0.243 0.000 0.929 440 N CB 0.797 39.136 38.487 -0.246 0.000 1.063 440 N HN 0.779 nan 8.380 nan 0.000 0.472 441 L N 3.190 124.333 121.223 -0.133 0.000 2.291 441 L HA -0.093 4.248 4.340 0.001 0.000 0.214 441 L C 1.263 178.082 176.870 -0.085 0.000 1.120 441 L CA 0.446 55.251 54.840 -0.059 0.000 0.799 441 L CB -0.064 41.978 42.059 -0.028 0.000 0.925 441 L HN 0.649 nan 8.230 nan 0.000 0.446 442 L N -0.355 120.789 121.223 -0.132 0.000 2.628 442 L HA 0.256 4.597 4.340 0.001 0.000 0.229 442 L C 1.470 178.285 176.870 -0.092 0.000 1.137 442 L CA 0.098 54.869 54.840 -0.114 0.000 0.909 442 L CB -0.839 41.134 42.059 -0.143 0.000 1.137 442 L HN -0.009 nan 8.230 nan 0.000 0.470 449 T N 3.471 118.005 114.554 -0.033 0.000 2.906 449 T HA 0.228 4.578 4.350 0.001 0.000 0.329 449 T C -1.165 173.513 174.700 -0.037 0.000 1.091 449 T CA 0.431 62.516 62.100 -0.026 0.000 1.127 449 T CB 0.841 69.701 68.868 -0.012 0.000 1.035 449 T HN 0.374 nan 8.240 nan 0.000 0.547 450 P HA -0.090 nan 4.420 nan 0.000 0.218 450 P C 1.295 178.572 177.300 -0.038 0.000 1.149 450 P CA 1.010 64.092 63.100 -0.029 0.000 0.817 450 P CB 0.232 31.922 31.700 -0.016 0.000 0.785 451 E N -0.030 120.155 120.200 -0.025 0.000 2.047 451 E HA -0.097 4.254 4.350 0.001 0.000 0.191 451 E C 2.048 178.574 176.600 -0.123 0.000 0.987 451 E CA 1.034 57.422 56.400 -0.021 0.000 0.799 451 E CB -0.196 29.533 29.700 0.049 0.000 0.752 451 E HN -0.027 nan 8.360 nan 0.000 0.449 452 V N 1.486 121.314 119.914 -0.144 0.000 2.295 452 V HA -0.269 3.851 4.120 0.001 0.000 0.246 452 V C 2.543 178.490 176.094 -0.246 0.000 1.049 452 V CA 1.579 63.715 62.300 -0.273 0.000 1.024 452 V CB -0.498 31.232 31.823 -0.155 0.000 0.648 452 V HN 0.285 nan 8.190 nan 0.000 0.447 453 L N 0.524 121.660 121.223 -0.144 0.000 2.042 453 L HA -0.215 4.125 4.340 0.001 0.000 0.210 453 L C 2.714 179.519 176.870 -0.107 0.000 1.076 453 L CA 2.841 57.615 54.840 -0.111 0.000 0.749 453 L CB -0.904 41.112 42.059 -0.072 0.000 0.893 453 L HN 0.454 nan 8.230 nan 0.000 0.432 454 Q N -0.773 118.966 119.800 -0.101 0.000 2.079 454 Q HA -0.082 4.259 4.340 0.001 0.000 0.200 454 Q C 2.348 178.286 176.000 -0.104 0.000 0.974 454 Q CA 2.034 57.791 55.803 -0.077 0.000 0.840 454 Q CB -1.409 27.299 28.738 -0.050 0.000 0.898 454 Q HN 0.737 nan 8.270 nan 0.000 0.430 455 A N 0.289 122.987 122.820 -0.203 0.000 1.902 455 A HA 0.064 4.385 4.320 0.001 0.000 0.217 455 A C 2.372 179.845 177.584 -0.185 0.000 1.181 455 A CA 1.700 53.581 52.037 -0.260 0.000 0.623 455 A CB -0.529 18.030 19.000 -0.734 0.000 0.818 455 A HN 0.777 nan 8.150 nan 0.000 0.443 456 L N 0.104 121.208 121.223 -0.199 0.000 1.990 456 L HA -0.214 4.127 4.340 0.001 0.000 0.213 456 L C 2.254 179.099 176.870 -0.040 0.000 1.072 456 L CA 2.529 57.295 54.840 -0.123 0.000 0.755 456 L CB -0.511 41.472 42.059 -0.127 0.000 0.889 456 L HN 0.367 nan 8.230 nan 0.000 0.432 457 K N -1.076 119.301 120.400 -0.038 0.000 2.097 457 K HA -0.196 4.125 4.320 0.001 0.000 0.206 457 K C 2.187 178.798 176.600 0.017 0.000 1.049 457 K CA 1.624 57.908 56.287 -0.004 0.000 0.933 457 K CB -0.244 32.249 32.500 -0.012 0.000 0.717 457 K HN 0.521 nan 8.250 nan 0.000 0.442 458 Q N 0.885 120.689 119.800 0.007 0.000 2.020 458 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 458 Q C 2.257 178.293 176.000 0.061 0.000 0.982 458 Q CA 1.321 57.140 55.803 0.028 0.000 0.838 458 Q CB -0.120 28.628 28.738 0.016 0.000 0.899 458 Q HN 0.279 nan 8.270 nan 0.000 0.423 459 L N 0.424 121.688 121.223 0.069 0.000 2.043 459 L HA -0.283 4.057 4.340 0.001 0.000 0.212 459 L C 2.518 179.535 176.870 0.244 0.000 1.075 459 L CA 1.478 56.404 54.840 0.144 0.000 0.752 459 L CB -0.381 41.752 42.059 0.123 0.000 0.891 459 L HN 0.316 nan 8.230 nan 0.000 0.432 460 Q N -0.691 119.240 119.800 0.218 0.000 2.079 460 Q HA -0.223 4.118 4.340 0.001 0.000 0.200 460 Q C 2.241 178.285 176.000 0.073 0.000 0.974 460 Q CA 1.317 57.240 55.803 0.200 0.000 0.840 460 Q CB -0.191 28.645 28.738 0.163 0.000 0.898 460 Q HN 0.364 nan 8.270 nan 0.000 0.430 461 L N 0.403 121.666 121.223 0.067 0.000 2.109 461 L HA -0.105 4.235 4.340 0.001 0.000 0.207 461 L C 1.892 178.796 176.870 0.056 0.000 1.086 461 L CA 1.368 56.234 54.840 0.043 0.000 0.760 461 L CB -0.231 41.851 42.059 0.038 0.000 0.910 461 L HN 0.172 nan 8.230 nan 0.000 0.437 462 L N -0.269 121.014 121.223 0.101 0.000 2.046 462 L HA -0.243 4.098 4.340 0.001 0.000 0.208 462 L C 2.659 179.633 176.870 0.174 0.000 1.077 462 L CA 1.878 56.824 54.840 0.177 0.000 0.747 462 L CB -0.593 41.614 42.059 0.246 0.000 0.896 462 L HN 0.366 nan 8.230 nan 0.000 0.432 463 K N 0.547 121.000 120.400 0.088 0.000 2.026 463 K HA -0.194 4.127 4.320 0.001 0.000 0.208 463 K C 2.087 178.627 176.600 -0.100 0.000 1.048 463 K CA 1.548 57.795 56.287 -0.066 0.000 0.929 463 K CB -0.167 32.066 32.500 -0.445 0.000 0.713 463 K HN 0.224 nan 8.250 nan 0.000 0.439 464 A N 0.865 123.634 122.820 -0.085 0.000 1.972 464 A HA -0.175 4.146 4.320 0.001 0.000 0.219 464 A C 2.034 179.591 177.584 -0.046 0.000 1.169 464 A CA 1.442 53.439 52.037 -0.065 0.000 0.635 464 A CB -0.439 18.535 19.000 -0.044 0.000 0.810 464 A HN 0.526 nan 8.150 nan 0.000 0.446 465 Q N -1.116 118.665 119.800 -0.031 0.000 2.016 465 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 465 Q C 2.153 178.109 176.000 -0.074 0.000 0.978 465 Q CA 1.434 57.216 55.803 -0.034 0.000 0.833 465 Q CB -0.299 28.434 28.738 -0.009 0.000 0.895 465 Q HN 0.613 nan 8.270 nan 0.000 0.427 466 L N 1.280 122.425 121.223 -0.130 0.000 2.012 466 L HA -0.229 4.112 4.340 0.001 0.000 0.210 466 L C 1.543 178.348 176.870 -0.108 0.000 1.073 466 L CA 1.855 56.562 54.840 -0.221 0.000 0.748 466 L CB -0.323 41.426 42.059 -0.516 0.000 0.891 466 L HN 0.144 nan 8.230 nan 0.000 0.431 467 D N -0.174 120.184 120.400 -0.070 0.000 2.182 467 D HA -0.167 4.473 4.640 0.001 0.000 0.201 467 D C 2.113 178.396 176.300 -0.027 0.000 0.986 467 D CA 1.452 55.441 54.000 -0.018 0.000 0.847 467 D CB -0.138 40.645 40.800 -0.030 0.000 0.942 467 D HN 0.544 nan 8.370 nan 0.000 0.467 468 A N 0.323 123.119 122.820 -0.040 0.000 2.016 468 A HA 0.227 4.548 4.320 0.001 0.000 0.217 468 A C 2.152 179.717 177.584 -0.032 0.000 1.162 468 A CA 1.406 53.422 52.037 -0.035 0.000 0.662 468 A CB -0.087 18.894 19.000 -0.032 0.000 0.812 468 A HN 0.216 nan 8.150 nan 0.000 0.450 469 A N -0.814 121.983 122.820 -0.037 0.000 2.044 469 A HA 0.419 4.740 4.320 0.001 0.000 0.213 469 A C 0.758 178.325 177.584 -0.027 0.000 1.169 469 A CA 0.308 52.322 52.037 -0.037 0.000 0.724 469 A CB -0.120 18.848 19.000 -0.054 0.000 0.840 469 A HN 0.216 nan 8.150 nan 0.000 0.463 470 V N 2.726 122.633 119.914 -0.011 0.000 2.432 470 V HA 0.304 4.425 4.120 0.001 0.000 0.271 470 V C 0.248 176.386 176.094 0.073 0.000 1.046 470 V CA 0.069 62.384 62.300 0.024 0.000 0.945 470 V CB 0.708 32.571 31.823 0.066 0.000 0.992 470 V HN 0.507 nan 8.190 nan 0.000 0.471 471 T N 3.350 117.941 114.554 0.062 0.000 2.867 471 T HA 0.602 4.952 4.350 0.001 0.000 0.282 471 T C -0.484 174.335 174.700 0.198 0.000 1.000 471 T CA -0.578 61.579 62.100 0.094 0.000 1.042 471 T CB 0.926 69.819 68.868 0.042 0.000 0.973 471 T HN 0.157 nan 8.240 nan 0.000 0.465 472 F N 2.129 122.034 119.950 -0.075 0.000 2.467 472 F HA 0.498 5.026 4.527 0.001 0.000 0.362 472 F C 1.400 177.208 175.800 0.012 0.000 1.090 472 F CA -0.885 57.070 58.000 -0.076 0.000 1.202 472 F CB 0.252 39.181 39.000 -0.119 0.000 1.113 472 F HN 0.883 nan 8.300 nan 0.000 0.541 473 G N 4.301 113.186 108.800 0.141 0.000 2.527 473 G HA2 0.364 4.325 3.960 0.001 0.000 0.248 473 G HA3 0.364 4.325 3.960 0.001 0.000 0.248 473 G C -2.682 172.296 174.900 0.131 0.000 1.231 473 G CA -1.254 43.899 45.100 0.089 0.000 0.838 473 G HN 0.341 nan 8.290 nan 0.000 0.570 474 P HA 0.065 nan 4.420 nan 0.000 0.262 474 P C 0.272 177.497 177.300 -0.125 0.000 1.182 474 P CA -0.015 63.092 63.100 0.011 0.000 0.761 474 P CB 0.812 32.508 31.700 -0.007 0.000 0.795 475 S N 2.684 118.244 115.700 -0.234 0.000 2.515 475 S HA -0.039 4.431 4.470 0.001 0.000 0.285 475 S C 1.260 175.648 174.600 -0.354 0.000 1.265 475 S CA -0.185 57.675 58.200 -0.567 0.000 1.079 475 S CB -0.090 62.798 63.200 -0.520 0.000 0.877 475 S HN 0.281 nan 8.310 nan 0.000 0.493 476 Q N 3.827 123.399 119.800 -0.380 0.000 2.096 476 Q HA -0.028 4.312 4.340 0.001 0.000 0.197 476 Q C 2.285 178.152 176.000 -0.221 0.000 0.964 476 Q CA 1.162 56.808 55.803 -0.262 0.000 0.838 476 Q CB -0.611 27.956 28.738 -0.285 0.000 0.906 476 Q HN 0.716 nan 8.270 nan 0.000 0.444 477 V N 1.233 120.986 119.914 -0.268 0.000 2.490 477 V HA -0.191 3.930 4.120 0.001 0.000 0.250 477 V C 2.023 178.037 176.094 -0.133 0.000 1.061 477 V CA 1.654 63.840 62.300 -0.190 0.000 1.064 477 V CB -0.810 30.887 31.823 -0.210 0.000 0.670 477 V HN 0.277 nan 8.190 nan 0.000 0.461 478 A N -0.555 122.175 122.820 -0.150 0.000 2.238 478 A HA 0.001 4.322 4.320 0.001 0.000 0.208 478 A C 2.156 179.708 177.584 -0.054 0.000 1.177 478 A CA 0.316 52.303 52.037 -0.082 0.000 0.804 478 A CB -0.460 18.495 19.000 -0.075 0.000 0.823 478 A HN 0.500 nan 8.150 nan 0.000 0.482 479 R N -0.579 119.886 120.500 -0.059 0.000 2.235 479 R HA 0.233 4.574 4.340 0.001 0.000 0.213 479 R C 1.138 177.435 176.300 -0.006 0.000 1.059 479 R CA 0.562 56.647 56.100 -0.026 0.000 0.997 479 R CB -0.181 30.108 30.300 -0.018 0.000 0.884 479 R HN 0.652 nan 8.270 nan 0.000 0.462 480 G N 0.798 109.592 108.800 -0.010 0.000 2.631 480 G HA2 -0.213 3.748 3.960 0.001 0.000 0.504 480 G HA3 -0.213 3.748 3.960 0.001 0.000 0.504 480 G C -1.178 173.730 174.900 0.013 0.000 1.306 480 G CA -0.834 44.268 45.100 0.003 0.000 0.897 480 G HN 0.222 nan 8.290 nan 0.000 0.520 481 E N -0.230 119.979 120.200 0.016 0.000 2.207 481 E HA 0.568 4.919 4.350 0.001 0.000 0.270 481 E C -1.255 175.360 176.600 0.026 0.000 0.927 481 E CA -0.731 55.682 56.400 0.022 0.000 0.799 481 E CB 2.234 31.943 29.700 0.015 0.000 1.172 481 E HN 0.496 nan 8.360 nan 0.000 0.404 482 D N 2.409 122.829 120.400 0.033 0.000 2.478 482 D HA 0.206 4.847 4.640 0.001 0.000 0.240 482 D C -2.244 174.077 176.300 0.036 0.000 1.364 482 D CA -2.265 51.754 54.000 0.033 0.000 0.987 482 D CB 1.626 42.448 40.800 0.037 0.000 1.328 482 D HN 0.011 nan 8.370 nan 0.000 0.584 483 P HA -0.050 nan 4.420 nan 0.000 0.223 483 P C 1.021 178.343 177.300 0.037 0.000 1.144 483 P CA 0.760 63.878 63.100 0.029 0.000 0.783 483 P CB 0.192 31.906 31.700 0.023 0.000 0.771 484 A N -0.985 121.857 122.820 0.037 0.000 2.168 484 A HA -0.073 4.248 4.320 0.001 0.000 0.215 484 A C 1.791 179.405 177.584 0.049 0.000 1.152 484 A CA 0.933 52.994 52.037 0.039 0.000 0.716 484 A CB -1.157 17.862 19.000 0.033 0.000 0.794 484 A HN 0.074 nan 8.150 nan 0.000 0.465 485 L N -0.150 121.108 121.223 0.059 0.000 2.492 485 L HA 0.081 4.422 4.340 0.001 0.000 0.223 485 L C 1.047 177.975 176.870 0.098 0.000 1.132 485 L CA 0.672 55.559 54.840 0.078 0.000 0.850 485 L CB -0.953 41.160 42.059 0.091 0.000 0.966 485 L HN 0.461 nan 8.230 nan 0.000 0.454 486 Q N 0.036 119.888 119.800 0.086 0.000 2.361 486 Q HA 0.110 4.450 4.340 0.001 0.000 0.276 486 Q C -0.123 175.938 176.000 0.101 0.000 1.022 486 Q CA 0.085 55.951 55.803 0.104 0.000 0.898 486 Q CB 0.983 29.767 28.738 0.076 0.000 1.246 486 Q HN 0.195 nan 8.270 nan 0.000 0.410 487 I N 1.379 122.023 120.570 0.122 0.000 2.529 487 I HA 0.024 4.195 4.170 0.001 0.000 0.284 487 I C -0.113 176.039 176.117 0.059 0.000 1.082 487 I CA -0.148 61.203 61.300 0.085 0.000 1.406 487 I CB 0.701 38.748 38.000 0.078 0.000 1.405 487 I HN 0.566 nan 8.210 nan 0.000 0.548 488 c N 6.778 125.402 118.600 0.040 0.000 2.397 488 c HA 0.257 4.828 4.570 0.001 0.000 0.325 488 c C 1.445 175.533 174.090 -0.002 0.000 1.201 488 c CA -0.728 55.615 56.329 0.023 0.000 1.377 488 c CB 0.479 43.015 42.510 0.044 0.000 2.038 488 c HN 1.106 nan 8.230 nan 0.000 0.457 489 c N 2.910 121.469 118.600 -0.069 0.000 2.419 489 c HA -0.010 4.560 4.570 0.001 0.000 0.281 489 c C 1.133 175.193 174.090 -0.051 0.000 1.336 489 c CA 1.020 57.275 56.329 -0.124 0.000 1.770 489 c CB -1.605 40.742 42.510 -0.272 0.000 1.929 489 c HN 0.883 nan 8.230 nan 0.000 0.509 490 H N 0.317 119.385 119.070 -0.004 0.000 2.530 490 H HA 0.281 4.838 4.556 0.001 0.000 0.246 490 H C -2.401 172.931 175.328 0.006 0.000 1.346 490 H CA -1.918 54.124 56.048 -0.009 0.000 1.424 490 H CB 0.400 30.152 29.762 -0.016 0.000 1.445 490 H HN 0.332 nan 8.280 nan 0.000 0.511 491 P HA -0.021 nan 4.420 nan 0.000 0.266 491 P C 1.235 178.573 177.300 0.063 0.000 1.195 491 P CA 1.018 64.162 63.100 0.074 0.000 0.768 491 P CB 1.114 32.845 31.700 0.052 0.000 0.838 492 G N 1.292 110.123 108.800 0.052 0.000 2.299 492 G HA2 -0.308 3.653 3.960 0.001 0.000 0.237 492 G HA3 -0.308 3.653 3.960 0.001 0.000 0.237 492 G C 0.529 175.455 174.900 0.043 0.000 1.027 492 G CA -0.098 45.025 45.100 0.039 0.000 0.619 492 G HN 0.825 nan 8.290 nan 0.000 0.513 493 c N 2.259 120.897 118.600 0.064 0.000 2.410 493 c HA 0.389 4.960 4.570 0.001 0.000 0.386 493 c C 1.280 175.406 174.090 0.060 0.000 1.401 493 c CA 2.105 58.481 56.329 0.078 0.000 1.558 493 c CB -0.783 41.791 42.510 0.106 0.000 2.589 493 c HN 1.763 nan 8.230 nan 0.000 0.562 494 T N 3.350 117.940 114.554 0.059 0.000 3.012 494 T HA 0.672 5.023 4.350 0.001 0.000 0.330 494 T C -2.936 171.796 174.700 0.053 0.000 1.321 494 T CA -0.897 61.232 62.100 0.048 0.000 1.067 494 T CB 1.663 70.551 68.868 0.033 0.000 1.235 494 T HN 0.694 nan 8.240 nan 0.000 0.479 495 P HA 0.519 nan 4.420 nan 0.000 0.292 495 P C -0.738 176.589 177.300 0.045 0.000 1.283 495 P CA -0.721 62.403 63.100 0.040 0.000 0.835 495 P CB 1.118 32.836 31.700 0.029 0.000 1.017 496 R N 2.894 123.419 120.500 0.040 0.000 2.441 496 R HA 0.284 4.625 4.340 0.001 0.000 0.284 496 R C -1.178 175.139 176.300 0.027 0.000 1.070 496 R CA -1.090 55.033 56.100 0.039 0.000 1.047 496 R CB 0.530 30.852 30.300 0.038 0.000 1.016 496 R HN 0.466 nan 8.270 nan 0.000 0.477 497 P HA 0.150 nan 4.420 nan 0.000 0.272 497 P C 0.504 177.818 177.300 0.024 0.000 1.276 497 P CA 0.167 63.283 63.100 0.028 0.000 0.871 497 P CB 0.634 32.346 31.700 0.021 0.000 1.313 498 A N 0.792 123.617 122.820 0.009 0.000 2.019 498 A HA -0.192 4.129 4.320 0.001 0.000 0.219 498 A C 2.346 179.940 177.584 0.017 0.000 1.164 498 A CA 1.741 53.765 52.037 -0.023 0.000 0.644 498 A CB -1.649 17.327 19.000 -0.040 0.000 0.805 498 A HN 0.504 nan 8.150 nan 0.000 0.449 499 c N -1.981 116.677 118.600 0.097 0.000 2.450 499 c HA 0.060 4.630 4.570 0.001 0.000 0.279 499 c C 1.430 175.691 174.090 0.285 0.000 1.335 499 c CA -0.689 55.773 56.329 0.221 0.000 1.749 499 c CB -2.232 40.381 42.510 0.173 0.000 1.963 499 c HN 0.544 nan 8.230 nan 0.000 0.501 500 c N 3.279 121.963 118.600 0.140 0.000 2.693 500 c HA 0.454 5.025 4.570 0.001 0.000 0.393 500 c C 0.262 174.399 174.090 0.079 0.000 1.348 500 c CA 0.464 56.826 56.329 0.054 0.000 1.508 500 c CB -2.850 39.682 42.510 0.037 0.000 2.295 500 c HN 0.939 nan 8.230 nan 0.000 0.605 501 H N -0.728 118.168 119.070 -0.289 0.000 3.005 501 H HA 0.564 5.121 4.556 0.001 0.000 0.311 501 H C -0.811 174.300 175.328 -0.361 0.000 1.366 501 H CA -0.807 55.098 56.048 -0.239 0.000 1.210 501 H CB 0.435 30.133 29.762 -0.106 0.000 1.894 501 H HN 0.714 nan 8.280 nan 0.000 0.520 502 c N 1.636 120.103 118.600 -0.221 0.000 2.854 502 c HA 0.393 4.963 4.570 0.001 0.000 0.389 502 c C -3.296 170.742 174.090 -0.086 0.000 0.915 502 c CA -0.889 55.316 56.329 -0.208 0.000 1.236 502 c CB -1.092 41.273 42.510 -0.241 0.000 1.505 502 c HN 0.826 nan 8.230 nan 0.000 0.542 503 P HA 0.000 nan 4.420 nan 0.000 0.216 503 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 503 P CB 0.000 31.704 31.700 0.006 0.000 0.726