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 1dju_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALSDRLELVS XXXXXXXXXX XXXXXDVISL GIGEPDFDTP QHIKEYAKEA DATA SEQUENCE LDKGLTHYGP NIGLLELREA IAEKLKKQNG IEADPKTEIM VLLGANQAFL DATA SEQUENCE MGLSAFLKDG EEVLIPTPAF VSYAPAVILA GGKPVEVPTY EEDEFRLNVD DATA SEQUENCE ELKKYVTDKT RALIINSPCN PTGAVLTKKD LEEIADFVVE HDLIVISDEV DATA SEQUENCE YEHFIYDDAR HYSIASLDGM FERTITVNGF SKTFAMTGWR LGFVAAPSWI DATA SEQUENCE IERMVKFQMY NATCPVTFIQ YAAAKALKDE RSWKAVEEMR KEYDRRRKLV DATA SEQUENCE WKRLNEMGLP TVKPKGAFYI FPRIRDTGLT SKKFSELMLK EARVAVVPGS DATA SEQUENCE AFGKAGEGYV RISYATAYEK LEEAMERMER VLKERKLV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.585 177.584 0.001 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 3 L N 1.882 123.107 121.223 0.003 0.000 2.131 3 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 3 L C 2.852 179.732 176.870 0.016 0.000 1.092 3 L CA 2.026 56.876 54.840 0.016 0.000 0.759 3 L CB -0.116 41.959 42.059 0.026 0.000 0.903 3 L HN 0.710 nan 8.230 nan 0.000 0.435 4 S N -0.896 114.811 115.700 0.011 0.000 2.383 4 S HA -0.225 4.244 4.470 -0.000 0.000 0.229 4 S C 1.477 176.082 174.600 0.008 0.000 1.030 4 S CA 1.470 59.676 58.200 0.010 0.000 1.002 4 S CB -0.505 62.699 63.200 0.007 0.000 0.829 4 S HN 0.478 nan 8.310 nan 0.000 0.467 5 D N 1.625 122.028 120.400 0.006 0.000 2.149 5 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 5 D C 2.205 178.508 176.300 0.007 0.000 0.972 5 D CA 0.796 54.799 54.000 0.005 0.000 0.835 5 D CB -0.269 40.533 40.800 0.004 0.000 0.966 5 D HN 0.426 nan 8.370 nan 0.000 0.476 6 R N 0.309 120.815 120.500 0.009 0.000 2.115 6 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 6 R C 2.271 178.578 176.300 0.011 0.000 1.100 6 R CA 0.104 56.211 56.100 0.011 0.000 0.980 6 R CB -0.311 29.999 30.300 0.016 0.000 0.875 6 R HN 0.193 nan 8.270 nan 0.000 0.445 7 L N 1.503 122.734 121.223 0.013 0.000 2.046 7 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 7 L C 2.265 179.138 176.870 0.004 0.000 1.077 7 L CA 1.652 56.499 54.840 0.011 0.000 0.747 7 L CB -0.923 41.144 42.059 0.014 0.000 0.896 7 L HN 0.140 nan 8.230 nan 0.000 0.432 8 E N -0.067 120.135 120.200 0.004 0.000 2.160 8 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 8 E C 2.191 178.790 176.600 -0.002 0.000 0.991 8 E CA 0.869 57.269 56.400 0.001 0.000 0.810 8 E CB -0.122 29.579 29.700 0.002 0.000 0.742 8 E HN 0.483 nan 8.360 nan 0.000 0.466 9 L N 0.531 121.753 121.223 -0.001 0.000 2.551 9 L HA -0.007 4.333 4.340 -0.000 0.000 0.228 9 L C 0.774 177.640 176.870 -0.008 0.000 1.153 9 L CA 0.027 54.865 54.840 -0.003 0.000 0.851 9 L CB 0.075 42.134 42.059 0.000 0.000 0.959 9 L HN -0.166 nan 8.230 nan 0.000 0.451 10 V N -1.252 118.657 119.914 -0.010 0.000 2.732 10 V HA 0.498 4.618 4.120 -0.000 0.000 0.310 10 V C 0.487 176.566 176.094 -0.025 0.000 1.053 10 V CA -0.454 61.835 62.300 -0.018 0.000 0.957 10 V CB 1.688 33.503 31.823 -0.013 0.000 1.018 10 V HN 0.384 nan 8.190 nan 0.000 0.452 28 V N -0.625 119.288 119.914 -0.001 0.000 2.743 28 V HA 0.620 4.740 4.120 -0.000 0.000 0.301 28 V C 0.485 176.581 176.094 0.004 0.000 1.057 28 V CA -0.575 61.725 62.300 -0.000 0.000 1.006 28 V CB 1.699 33.523 31.823 0.002 0.000 1.024 28 V HN 0.103 nan 8.190 nan 0.000 0.473 29 I N 3.561 124.134 120.570 0.005 0.000 2.328 29 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 29 I C 0.528 176.657 176.117 0.020 0.000 1.012 29 I CA -0.028 61.277 61.300 0.009 0.000 1.195 29 I CB 1.507 39.511 38.000 0.006 0.000 1.350 29 I HN 0.799 nan 8.210 nan 0.000 0.464 30 S N 6.838 122.552 115.700 0.024 0.000 2.455 30 S HA 0.340 4.810 4.470 -0.000 0.000 0.278 30 S C 0.679 175.309 174.600 0.050 0.000 1.216 30 S CA -0.427 57.796 58.200 0.039 0.000 1.055 30 S CB 0.261 63.484 63.200 0.039 0.000 0.939 30 S HN 0.575 nan 8.310 nan 0.000 0.494 31 L N 4.703 125.968 121.223 0.070 0.000 2.741 31 L HA 0.323 4.663 4.340 -0.000 0.000 0.237 31 L C 1.888 178.833 176.870 0.126 0.000 1.178 31 L CA -0.066 54.828 54.840 0.090 0.000 0.973 31 L CB -0.017 42.103 42.059 0.101 0.000 1.255 31 L HN 0.804 nan 8.230 nan 0.000 0.498 32 G N 0.618 109.493 108.800 0.124 0.000 3.189 32 G HA2 0.090 4.050 3.960 -0.000 0.000 0.225 32 G HA3 0.090 4.050 3.960 -0.000 0.000 0.225 32 G C 0.890 175.901 174.900 0.185 0.000 1.159 32 G CA -0.237 44.960 45.100 0.163 0.000 0.763 32 G HN 0.215 nan 8.290 nan 0.000 0.549 33 I N -0.022 120.643 120.570 0.158 0.000 2.505 33 I HA 0.384 4.554 4.170 -0.000 0.000 0.287 33 I C 0.592 176.871 176.117 0.270 0.000 1.104 33 I CA -0.916 60.482 61.300 0.164 0.000 1.387 33 I CB 0.453 38.502 38.000 0.081 0.000 1.404 33 I HN -0.069 nan 8.210 nan 0.000 0.528 34 G N 6.820 115.823 108.800 0.339 0.000 3.741 34 G HA2 0.394 4.354 3.960 -0.000 0.000 0.263 34 G HA3 0.394 4.354 3.960 -0.000 0.000 0.263 34 G C 0.085 175.299 174.900 0.523 0.000 1.175 34 G CA -0.345 45.074 45.100 0.531 0.000 1.642 34 G HN 0.924 nan 8.290 nan 0.000 0.644 35 E N -0.653 119.783 120.200 0.395 0.000 2.401 35 E HA 0.392 4.742 4.350 -0.000 0.000 0.280 35 E C -3.158 173.458 176.600 0.028 0.000 1.039 35 E CA -2.125 54.474 56.400 0.332 0.000 0.814 35 E CB 1.365 31.206 29.700 0.236 0.000 1.275 35 E HN -0.055 nan 8.360 nan 0.000 0.448 36 P HA -0.018 nan 4.420 nan 0.000 0.264 36 P C -0.013 177.230 177.300 -0.094 0.000 1.193 36 P CA 0.208 63.264 63.100 -0.072 0.000 0.763 36 P CB 0.628 32.491 31.700 0.271 0.000 0.810 37 D N 2.148 122.355 120.400 -0.322 0.000 2.277 37 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 37 D C 0.518 176.632 176.300 -0.310 0.000 0.962 37 D CA 0.409 54.212 54.000 -0.329 0.000 0.865 37 D CB -0.428 40.111 40.800 -0.434 0.000 0.939 37 D HN 0.222 nan 8.370 nan 0.000 0.510 38 F N 1.590 121.521 119.950 -0.032 0.000 2.535 38 F HA 0.195 4.722 4.527 -0.000 0.000 0.332 38 F C 1.254 177.076 175.800 0.036 0.000 1.208 38 F CA -0.428 57.565 58.000 -0.013 0.000 1.330 38 F CB 0.146 39.128 39.000 -0.031 0.000 1.167 38 F HN -0.216 nan 8.300 nan 0.000 0.597 39 D N -0.560 119.985 120.400 0.243 0.000 2.387 39 D HA 0.209 4.849 4.640 -0.000 0.000 0.255 39 D C -0.660 175.750 176.300 0.184 0.000 1.081 39 D CA -0.443 53.668 54.000 0.185 0.000 0.994 39 D CB 1.080 41.964 40.800 0.139 0.000 1.127 39 D HN 0.425 nan 8.370 nan 0.000 0.513 40 T N 2.887 117.553 114.554 0.185 0.000 2.928 40 T HA 0.220 4.569 4.350 -0.000 0.000 0.305 40 T C -2.164 172.552 174.700 0.027 0.000 1.035 40 T CA -0.690 61.471 62.100 0.103 0.000 1.145 40 T CB 0.619 69.588 68.868 0.170 0.000 0.963 40 T HN 0.289 nan 8.240 nan 0.000 0.545 41 P HA 0.005 nan 4.420 nan 0.000 0.261 41 P C 1.034 178.275 177.300 -0.098 0.000 1.173 41 P CA -0.014 63.037 63.100 -0.081 0.000 0.760 41 P CB 0.452 32.065 31.700 -0.145 0.000 0.783 42 Q N 2.446 122.244 119.800 -0.004 0.000 2.152 42 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 42 Q C 1.877 177.846 176.000 -0.052 0.000 0.985 42 Q CA 2.255 58.056 55.803 -0.003 0.000 0.863 42 Q CB -0.722 28.024 28.738 0.014 0.000 0.904 42 Q HN 0.740 nan 8.270 nan 0.000 0.422 43 H N -1.769 117.207 119.070 -0.156 0.000 2.456 43 H HA 0.021 4.577 4.556 -0.000 0.000 0.296 43 H C 1.913 177.061 175.328 -0.299 0.000 1.079 43 H CA 1.212 57.090 56.048 -0.283 0.000 1.322 43 H CB -0.310 29.265 29.762 -0.311 0.000 1.388 43 H HN 0.189 nan 8.280 nan 0.000 0.538 44 I N 0.949 121.141 120.570 -0.629 0.000 2.333 44 I HA -0.155 4.015 4.170 -0.000 0.000 0.246 44 I C 2.130 178.245 176.117 -0.004 0.000 1.106 44 I CA 0.980 62.060 61.300 -0.367 0.000 1.411 44 I CB -0.238 37.403 38.000 -0.599 0.000 1.082 44 I HN 0.231 nan 8.210 nan 0.000 0.420 45 K N 0.675 121.122 120.400 0.078 0.000 2.160 45 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 45 K C 1.905 178.601 176.600 0.160 0.000 1.047 45 K CA 1.208 57.652 56.287 0.261 0.000 0.930 45 K CB -0.083 32.527 32.500 0.183 0.000 0.720 45 K HN 0.293 nan 8.250 nan 0.000 0.450 46 E N 0.026 120.242 120.200 0.027 0.000 2.158 46 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 46 E C 1.879 178.521 176.600 0.070 0.000 0.982 46 E CA 0.992 57.390 56.400 -0.003 0.000 0.823 46 E CB -0.185 29.450 29.700 -0.108 0.000 0.766 46 E HN 0.491 nan 8.360 nan 0.000 0.468 47 Y N 1.012 121.378 120.300 0.109 0.000 2.274 47 Y HA -0.197 4.353 4.550 -0.000 0.000 0.290 47 Y C 2.467 178.533 175.900 0.277 0.000 1.145 47 Y CA 0.663 58.860 58.100 0.162 0.000 1.203 47 Y CB -0.023 38.468 38.460 0.052 0.000 0.984 47 Y HN 0.058 nan 8.280 nan 0.000 0.533 48 A N 0.362 123.443 122.820 0.434 0.000 1.897 48 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 48 A C 2.063 179.797 177.584 0.251 0.000 1.181 48 A CA 1.468 53.769 52.037 0.439 0.000 0.620 48 A CB -0.382 18.906 19.000 0.481 0.000 0.821 48 A HN 0.345 nan 8.150 nan 0.000 0.443 49 K N -0.345 120.146 120.400 0.151 0.000 2.097 49 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 49 K C 2.107 178.722 176.600 0.024 0.000 1.049 49 K CA 1.541 57.850 56.287 0.037 0.000 0.933 49 K CB -0.138 32.378 32.500 0.026 0.000 0.717 49 K HN 0.736 nan 8.250 nan 0.000 0.442 50 E N 1.025 121.287 120.200 0.103 0.000 2.077 50 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 50 E C 1.977 178.574 176.600 -0.004 0.000 0.989 50 E CA 1.102 57.559 56.400 0.095 0.000 0.800 50 E CB -0.071 29.766 29.700 0.229 0.000 0.746 50 E HN 0.296 nan 8.360 nan 0.000 0.452 51 A N 1.130 123.946 122.820 -0.007 0.000 1.933 51 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 51 A C 2.226 179.710 177.584 -0.167 0.000 1.175 51 A CA 1.184 53.060 52.037 -0.269 0.000 0.628 51 A CB -0.658 18.323 19.000 -0.030 0.000 0.814 51 A HN 0.351 nan 8.150 nan 0.000 0.444 52 L N -0.525 120.597 121.223 -0.168 0.000 2.017 52 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 52 L C 2.074 178.820 176.870 -0.206 0.000 1.073 52 L CA 1.565 56.212 54.840 -0.320 0.000 0.745 52 L CB -0.582 41.226 42.059 -0.420 0.000 0.894 52 L HN 0.323 nan 8.230 nan 0.000 0.432 53 D N 0.119 120.437 120.400 -0.137 0.000 2.178 53 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 53 D C 1.932 178.178 176.300 -0.090 0.000 0.980 53 D CA 1.144 55.085 54.000 -0.099 0.000 0.842 53 D CB -0.061 40.703 40.800 -0.061 0.000 0.948 53 D HN 0.284 nan 8.370 nan 0.000 0.472 54 K N -0.303 120.030 120.400 -0.112 0.000 2.525 54 K HA 0.134 4.454 4.320 -0.000 0.000 0.192 54 K C 1.061 177.607 176.600 -0.091 0.000 1.029 54 K CA 0.468 56.690 56.287 -0.109 0.000 1.029 54 K CB 0.336 32.729 32.500 -0.178 0.000 0.814 54 K HN 0.127 nan 8.250 nan 0.000 0.503 55 G N 1.282 110.025 108.800 -0.096 0.000 2.147 55 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 55 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 55 G C -0.262 174.625 174.900 -0.021 0.000 1.005 55 G CA -0.448 44.616 45.100 -0.060 0.000 0.713 55 G HN 0.100 nan 8.290 nan 0.000 0.515 56 L N 1.392 122.590 121.223 -0.041 0.000 2.391 56 L HA 0.521 4.861 4.340 -0.000 0.000 0.249 56 L C 1.444 178.397 176.870 0.139 0.000 1.308 56 L CA 1.241 56.105 54.840 0.041 0.000 1.209 56 L CB 0.386 42.430 42.059 -0.025 0.000 1.401 56 L HN 0.197 nan 8.230 nan 0.000 0.416 57 T N -1.234 113.342 114.554 0.036 0.000 3.087 57 T HA 0.215 4.565 4.350 -0.000 0.000 0.283 57 T C 0.607 175.175 174.700 -0.220 0.000 0.956 57 T CA -0.058 62.003 62.100 -0.064 0.000 0.894 57 T CB 0.018 68.755 68.868 -0.217 0.000 1.160 57 T HN 0.327 nan 8.240 nan 0.000 0.532 58 H N -0.309 118.760 119.070 -0.003 0.000 2.585 58 H HA 0.366 4.922 4.556 -0.000 0.000 0.338 58 H C -0.484 174.827 175.328 -0.028 0.000 1.295 58 H CA -0.510 55.496 56.048 -0.070 0.000 1.356 58 H CB 0.468 30.213 29.762 -0.028 0.000 1.736 58 H HN 0.080 nan 8.280 nan 0.000 0.629 59 Y N -0.301 120.096 120.300 0.162 0.000 2.578 59 Y HA 0.235 4.785 4.550 -0.000 0.000 0.339 59 Y C 1.259 177.203 175.900 0.074 0.000 1.231 59 Y CA 0.509 58.661 58.100 0.087 0.000 1.461 59 Y CB 0.250 38.748 38.460 0.064 0.000 1.323 59 Y HN 0.612 nan 8.280 nan 0.000 0.590 60 G N 1.667 110.610 108.800 0.239 0.000 2.932 60 G HA2 0.599 4.559 3.960 -0.000 0.000 0.283 60 G HA3 0.599 4.559 3.960 -0.000 0.000 0.283 60 G C -2.876 172.078 174.900 0.090 0.000 1.336 60 G CA -1.974 43.209 45.100 0.138 0.000 1.056 60 G HN 0.361 nan 8.290 nan 0.000 0.522 61 P HA 0.090 nan 4.420 nan 0.000 0.265 61 P C 0.389 177.697 177.300 0.012 0.000 1.187 61 P CA 0.031 63.147 63.100 0.026 0.000 0.766 61 P CB 0.659 32.376 31.700 0.027 0.000 0.820 62 N N 1.779 120.470 118.700 -0.016 0.000 2.205 62 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 62 N C 1.509 177.015 175.510 -0.006 0.000 1.015 62 N CA 0.628 53.662 53.050 -0.027 0.000 0.862 62 N CB -0.446 38.008 38.487 -0.056 0.000 0.986 62 N HN 0.442 nan 8.380 nan 0.000 0.429 63 I N -0.077 120.496 120.570 0.004 0.000 3.111 63 I HA 0.026 4.196 4.170 -0.000 0.000 0.272 63 I C 0.591 176.723 176.117 0.026 0.000 1.268 63 I CA 0.180 61.489 61.300 0.015 0.000 1.467 63 I CB -0.421 37.590 38.000 0.018 0.000 1.087 63 I HN 0.210 nan 8.210 nan 0.000 0.467 64 G N 0.471 109.287 108.800 0.028 0.000 2.570 64 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 64 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 64 G C -0.619 174.301 174.900 0.033 0.000 1.257 64 G CA -0.814 44.306 45.100 0.035 0.000 0.846 64 G HN 0.114 nan 8.290 nan 0.000 0.627 65 L N 0.824 122.068 121.223 0.035 0.000 2.490 65 L HA 0.151 4.491 4.340 -0.000 0.000 0.274 65 L C 2.146 179.031 176.870 0.025 0.000 1.201 65 L CA -0.586 54.277 54.840 0.038 0.000 0.869 65 L CB 0.588 42.677 42.059 0.050 0.000 1.123 65 L HN 0.658 nan 8.230 nan 0.000 0.484 66 L N 2.774 124.012 121.223 0.025 0.000 2.083 66 L HA -0.180 4.159 4.340 -0.000 0.000 0.209 66 L C 2.156 179.029 176.870 0.005 0.000 1.083 66 L CA 1.799 56.648 54.840 0.014 0.000 0.752 66 L CB -0.367 41.702 42.059 0.016 0.000 0.899 66 L HN 0.629 nan 8.230 nan 0.000 0.433 67 E N -0.581 119.625 120.200 0.010 0.000 2.077 67 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 67 E C 1.991 178.575 176.600 -0.026 0.000 0.989 67 E CA 1.528 57.924 56.400 -0.006 0.000 0.800 67 E CB -0.640 29.061 29.700 0.000 0.000 0.746 67 E HN 0.395 nan 8.360 nan 0.000 0.452 68 L N 0.761 121.972 121.223 -0.021 0.000 2.056 68 L HA -0.059 4.280 4.340 -0.000 0.000 0.207 68 L C 1.892 178.737 176.870 -0.041 0.000 1.078 68 L CA 1.717 56.537 54.840 -0.034 0.000 0.749 68 L CB -0.218 41.825 42.059 -0.027 0.000 0.901 68 L HN -0.105 nan 8.230 nan 0.000 0.433 69 R N -0.389 120.093 120.500 -0.031 0.000 2.115 69 R HA -0.115 4.224 4.340 -0.000 0.000 0.230 69 R C 2.139 178.405 176.300 -0.056 0.000 1.111 69 R CA 1.548 57.621 56.100 -0.045 0.000 0.976 69 R CB -0.225 30.066 30.300 -0.015 0.000 0.870 69 R HN 0.501 nan 8.270 nan 0.000 0.445 70 E N 0.033 120.209 120.200 -0.040 0.000 2.107 70 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 70 E C 1.983 178.555 176.600 -0.047 0.000 0.982 70 E CA 0.961 57.337 56.400 -0.039 0.000 0.809 70 E CB -0.021 29.663 29.700 -0.027 0.000 0.756 70 E HN 0.373 nan 8.360 nan 0.000 0.459 71 A N 1.131 123.923 122.820 -0.047 0.000 1.898 71 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 71 A C 2.152 179.704 177.584 -0.054 0.000 1.181 71 A CA 1.007 53.024 52.037 -0.033 0.000 0.620 71 A CB -0.525 18.464 19.000 -0.018 0.000 0.819 71 A HN 0.127 nan 8.150 nan 0.000 0.442 72 I N -0.206 120.285 120.570 -0.131 0.000 2.226 72 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 72 I C 2.948 178.950 176.117 -0.190 0.000 1.100 72 I CA 1.068 62.185 61.300 -0.305 0.000 1.374 72 I CB -0.267 37.394 38.000 -0.565 0.000 1.057 72 I HN 0.355 nan 8.210 nan 0.000 0.413 73 A N 0.728 123.477 122.820 -0.119 0.000 1.933 73 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 73 A C 2.265 179.810 177.584 -0.066 0.000 1.175 73 A CA 2.021 54.010 52.037 -0.080 0.000 0.628 73 A CB -0.654 18.309 19.000 -0.062 0.000 0.814 73 A HN 0.621 nan 8.150 nan 0.000 0.444 74 E N -0.063 120.103 120.200 -0.056 0.000 2.072 74 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 74 E C 2.053 178.624 176.600 -0.049 0.000 0.982 74 E CA 1.302 57.675 56.400 -0.046 0.000 0.803 74 E CB -0.269 29.411 29.700 -0.033 0.000 0.755 74 E HN 0.397 nan 8.360 nan 0.000 0.453 75 K N 1.335 121.710 120.400 -0.042 0.000 2.044 75 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 75 K C 2.161 178.734 176.600 -0.044 0.000 1.049 75 K CA 1.663 57.925 56.287 -0.042 0.000 0.927 75 K CB -0.442 32.059 32.500 0.003 0.000 0.713 75 K HN 0.368 nan 8.250 nan 0.000 0.443 76 L N 0.794 121.995 121.223 -0.036 0.000 2.093 76 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 76 L C 2.916 179.772 176.870 -0.023 0.000 1.085 76 L CA 1.199 56.037 54.840 -0.004 0.000 0.755 76 L CB -0.346 41.723 42.059 0.017 0.000 0.904 76 L HN 0.252 nan 8.230 nan 0.000 0.435 77 K N 0.394 120.768 120.400 -0.043 0.000 2.001 77 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 77 K C 2.167 178.737 176.600 -0.049 0.000 1.048 77 K CA 1.412 57.669 56.287 -0.050 0.000 0.932 77 K CB 0.098 32.564 32.500 -0.056 0.000 0.715 77 K HN 0.217 nan 8.250 nan 0.000 0.437 78 K N 0.256 120.621 120.400 -0.060 0.000 2.031 78 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 78 K C 2.241 178.793 176.600 -0.081 0.000 1.049 78 K CA 1.406 57.650 56.287 -0.072 0.000 0.939 78 K CB 0.040 32.484 32.500 -0.093 0.000 0.717 78 K HN 0.250 nan 8.250 nan 0.000 0.438 79 Q N -0.194 119.551 119.800 -0.092 0.000 2.302 79 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 79 Q C 0.823 176.790 176.000 -0.055 0.000 0.936 79 Q CA 0.933 56.678 55.803 -0.096 0.000 0.886 79 Q CB 0.216 28.881 28.738 -0.120 0.000 0.986 79 Q HN 0.333 nan 8.270 nan 0.000 0.487 80 N N -1.030 117.654 118.700 -0.026 0.000 2.181 80 N HA 0.143 4.882 4.740 -0.000 0.000 0.207 80 N C 0.417 175.933 175.510 0.010 0.000 1.182 80 N CA 0.421 53.474 53.050 0.005 0.000 0.893 80 N CB 1.521 40.030 38.487 0.038 0.000 1.032 80 N HN 0.233 nan 8.380 nan 0.000 0.513 81 G N 1.206 110.002 108.800 -0.006 0.000 2.179 81 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 81 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 81 G C -0.116 174.777 174.900 -0.012 0.000 1.010 81 G CA 0.117 45.212 45.100 -0.008 0.000 0.736 81 G HN 0.293 nan 8.290 nan 0.000 0.513 82 I N 0.362 120.926 120.570 -0.010 0.000 2.336 82 I HA 0.367 4.537 4.170 -0.000 0.000 0.292 82 I C 0.359 176.416 176.117 -0.100 0.000 0.991 82 I CA -0.527 60.762 61.300 -0.018 0.000 1.227 82 I CB 1.657 39.691 38.000 0.057 0.000 1.366 82 I HN 0.161 nan 8.210 nan 0.000 0.466 83 E N 5.701 125.775 120.200 -0.210 0.000 2.134 83 E HA 0.692 5.042 4.350 -0.000 0.000 0.278 83 E C -1.193 175.166 176.600 -0.402 0.000 0.959 83 E CA -0.531 55.727 56.400 -0.236 0.000 0.783 83 E CB 1.335 30.914 29.700 -0.202 0.000 1.095 83 E HN 0.729 nan 8.360 nan 0.000 0.399 84 A N 4.051 126.710 122.820 -0.269 0.000 2.475 84 A HA 0.326 4.646 4.320 -0.000 0.000 0.301 84 A C -1.285 176.225 177.584 -0.124 0.000 1.059 84 A CA -0.892 50.984 52.037 -0.268 0.000 0.710 84 A CB 1.619 20.566 19.000 -0.089 0.000 1.288 84 A HN 0.669 nan 8.150 nan 0.000 0.408 85 D N 2.858 123.211 120.400 -0.078 0.000 2.325 85 D HA 0.303 4.943 4.640 -0.000 0.000 0.251 85 D C -1.206 175.091 176.300 -0.006 0.000 1.196 85 D CA -1.864 52.116 54.000 -0.034 0.000 0.866 85 D CB 1.212 42.004 40.800 -0.013 0.000 1.101 85 D HN 0.182 nan 8.370 nan 0.000 0.476 86 P HA -0.164 nan 4.420 nan 0.000 0.221 86 P C 0.742 178.046 177.300 0.006 0.000 1.145 86 P CA 1.056 64.152 63.100 -0.008 0.000 0.795 86 P CB 0.479 32.168 31.700 -0.019 0.000 0.775 87 K N -0.456 119.950 120.400 0.010 0.000 2.137 87 K HA 0.000 4.320 4.320 -0.000 0.000 0.202 87 K C 1.890 178.507 176.600 0.028 0.000 1.052 87 K CA 1.833 58.130 56.287 0.017 0.000 0.961 87 K CB -0.069 32.439 32.500 0.014 0.000 0.741 87 K HN 0.269 nan 8.250 nan 0.000 0.452 88 T N -3.358 111.218 114.554 0.036 0.000 2.986 88 T HA 0.206 4.556 4.350 -0.000 0.000 0.264 88 T C 0.937 175.675 174.700 0.064 0.000 0.964 88 T CA -0.325 61.804 62.100 0.050 0.000 0.895 88 T CB 0.408 69.311 68.868 0.059 0.000 1.163 88 T HN -0.005 nan 8.240 nan 0.000 0.517 89 E N 0.439 120.685 120.200 0.077 0.000 2.714 89 E HA 0.456 4.806 4.350 -0.000 0.000 0.219 89 E C -0.631 176.041 176.600 0.120 0.000 0.979 89 E CA -0.132 56.344 56.400 0.126 0.000 1.092 89 E CB 1.044 30.879 29.700 0.224 0.000 1.049 89 E HN 0.516 nan 8.360 nan 0.000 0.487 90 I N 1.583 122.198 120.570 0.077 0.000 2.647 90 I HA 0.459 4.629 4.170 -0.000 0.000 0.295 90 I C -0.811 175.345 176.117 0.066 0.000 1.078 90 I CA -0.839 60.509 61.300 0.080 0.000 1.048 90 I CB 2.113 40.136 38.000 0.039 0.000 1.239 90 I HN -0.030 nan 8.210 nan 0.000 0.421 91 M N 6.045 125.698 119.600 0.088 0.000 2.371 91 M HA 0.547 5.026 4.480 -0.000 0.000 0.287 91 M C -1.955 174.415 176.300 0.117 0.000 1.149 91 M CA -0.599 54.742 55.300 0.069 0.000 0.929 91 M CB 2.192 34.812 32.600 0.034 0.000 1.683 91 M HN 0.269 nan 8.290 nan 0.000 0.470 92 V N 4.755 124.729 119.914 0.101 0.000 2.567 92 V HA 0.568 4.688 4.120 -0.000 0.000 0.289 92 V C -0.498 175.646 176.094 0.083 0.000 1.049 92 V CA -0.644 61.740 62.300 0.139 0.000 0.969 92 V CB 1.400 33.288 31.823 0.109 0.000 0.995 92 V HN 0.700 nan 8.190 nan 0.000 0.471 93 L N 3.653 124.928 121.223 0.086 0.000 2.303 93 L HA 0.593 4.933 4.340 -0.000 0.000 0.256 93 L C -0.474 176.420 176.870 0.040 0.000 1.034 93 L CA -0.638 54.216 54.840 0.023 0.000 0.832 93 L CB 1.952 43.992 42.059 -0.031 0.000 1.403 93 L HN 0.457 nan 8.230 nan 0.000 0.419 94 L N 2.010 123.239 121.223 0.011 0.000 2.389 94 L HA 0.616 4.956 4.340 -0.000 0.000 0.265 94 L C 0.498 177.383 176.870 0.025 0.000 1.167 94 L CA 0.151 55.007 54.840 0.027 0.000 1.045 94 L CB -0.158 41.910 42.059 0.015 0.000 1.351 94 L HN 0.743 nan 8.230 nan 0.000 0.419 95 G N 1.182 110.012 108.800 0.050 0.000 2.716 95 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.686 95 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.686 95 G C 0.648 175.521 174.900 -0.045 0.000 1.337 95 G CA -0.335 44.787 45.100 0.038 0.000 0.829 95 G HN 0.646 nan 8.290 nan 0.000 0.599 96 A N 0.704 123.468 122.820 -0.093 0.000 2.067 96 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 96 A C 2.191 179.586 177.584 -0.314 0.000 1.158 96 A CA 2.049 53.948 52.037 -0.229 0.000 0.661 96 A CB -0.381 18.476 19.000 -0.239 0.000 0.801 96 A HN 0.990 nan 8.150 nan 0.000 0.452 97 N N -0.410 118.235 118.700 -0.092 0.000 2.272 97 N HA -0.200 4.540 4.740 -0.000 0.000 0.185 97 N C 1.709 177.133 175.510 -0.143 0.000 1.014 97 N CA 1.168 54.235 53.050 0.029 0.000 0.870 97 N CB -0.116 38.487 38.487 0.194 0.000 0.975 97 N HN 0.654 nan 8.380 nan 0.000 0.433 98 Q N -0.143 119.549 119.800 -0.179 0.000 2.291 98 Q HA -0.053 4.287 4.340 -0.000 0.000 0.205 98 Q C 1.976 177.791 176.000 -0.307 0.000 0.970 98 Q CA 0.942 56.626 55.803 -0.197 0.000 0.876 98 Q CB -0.013 28.622 28.738 -0.171 0.000 0.935 98 Q HN 0.431 nan 8.270 nan 0.000 0.455 99 A N 0.246 122.768 122.820 -0.496 0.000 2.015 99 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 99 A C 1.505 178.833 177.584 -0.426 0.000 1.163 99 A CA 0.981 52.712 52.037 -0.510 0.000 0.646 99 A CB -0.406 18.208 19.000 -0.643 0.000 0.806 99 A HN 0.250 nan 8.150 nan 0.000 0.448 100 F N -0.846 119.112 119.950 0.013 0.000 2.149 100 F HA 0.029 4.556 4.527 -0.000 0.000 0.294 100 F C 1.977 177.774 175.800 -0.005 0.000 1.095 100 F CA 0.819 58.841 58.000 0.037 0.000 1.276 100 F CB -1.025 38.061 39.000 0.142 0.000 1.023 100 F HN 0.243 nan 8.300 nan 0.000 0.480 101 L N 0.008 121.293 121.223 0.103 0.000 2.005 101 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 101 L C 2.150 178.974 176.870 -0.076 0.000 1.072 101 L CA 1.870 56.722 54.840 0.020 0.000 0.744 101 L CB -0.703 41.344 42.059 -0.021 0.000 0.895 101 L HN 0.103 nan 8.230 nan 0.000 0.433 102 M N -1.080 118.380 119.600 -0.233 0.000 2.200 102 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 102 M C 2.137 178.389 176.300 -0.079 0.000 1.066 102 M CA 1.484 56.598 55.300 -0.310 0.000 1.127 102 M CB -0.930 31.396 32.600 -0.456 0.000 1.379 102 M HN 0.456 nan 8.290 nan 0.000 0.420 103 G N 0.498 109.263 108.800 -0.059 0.000 2.404 103 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 103 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 103 G C 1.357 176.303 174.900 0.077 0.000 1.174 103 G CA 0.465 45.575 45.100 0.017 0.000 0.780 103 G HN 0.193 nan 8.290 nan 0.000 0.537 104 L N 1.438 122.661 121.223 -0.001 0.000 2.083 104 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 104 L C 2.920 179.613 176.870 -0.296 0.000 1.083 104 L CA 1.452 56.141 54.840 -0.252 0.000 0.752 104 L CB -0.899 41.072 42.059 -0.147 0.000 0.899 104 L HN 0.158 nan 8.230 nan 0.000 0.433 105 S N -0.609 115.070 115.700 -0.035 0.000 2.500 105 S HA -0.068 4.402 4.470 -0.000 0.000 0.239 105 S C 1.991 176.665 174.600 0.123 0.000 0.989 105 S CA 0.741 58.991 58.200 0.083 0.000 0.951 105 S CB -0.228 63.168 63.200 0.326 0.000 0.759 105 S HN 0.504 nan 8.310 nan 0.000 0.523 106 A N 0.603 123.512 122.820 0.149 0.000 2.119 106 A HA 0.186 4.506 4.320 -0.000 0.000 0.216 106 A C 1.493 179.342 177.584 0.442 0.000 1.152 106 A CA 0.854 53.049 52.037 0.263 0.000 0.708 106 A CB -0.354 18.763 19.000 0.196 0.000 0.805 106 A HN 0.718 nan 8.150 nan 0.000 0.460 107 F N -4.174 115.890 119.950 0.189 0.000 2.897 107 F HA 0.453 4.979 4.527 -0.000 0.000 0.377 107 F C -0.001 175.888 175.800 0.148 0.000 0.917 107 F CA -0.787 57.354 58.000 0.234 0.000 1.079 107 F CB 0.177 39.374 39.000 0.328 0.000 1.068 107 F HN -0.142 nan 8.300 nan 0.000 0.581 108 L N 3.179 124.127 121.223 -0.459 0.000 2.453 108 L HA 0.255 4.595 4.340 -0.000 0.000 0.272 108 L C -0.260 176.570 176.870 -0.066 0.000 1.182 108 L CA 0.344 54.986 54.840 -0.330 0.000 0.858 108 L CB 1.089 42.896 42.059 -0.420 0.000 1.120 108 L HN 0.234 nan 8.230 nan 0.000 0.474 109 K N 1.873 122.276 120.400 0.004 0.000 2.258 109 K HA 0.267 4.587 4.320 -0.000 0.000 0.236 109 K C -0.801 175.806 176.600 0.011 0.000 1.008 109 K CA -0.767 55.533 56.287 0.022 0.000 0.869 109 K CB 0.913 33.442 32.500 0.047 0.000 1.171 109 K HN 0.409 nan 8.250 nan 0.000 0.447 110 D N 0.987 121.395 120.400 0.013 0.000 2.520 110 D HA 0.059 4.699 4.640 -0.000 0.000 0.243 110 D C 0.920 177.230 176.300 0.016 0.000 1.160 110 D CA 1.635 55.641 54.000 0.011 0.000 0.877 110 D CB 0.494 41.301 40.800 0.011 0.000 1.150 110 D HN 0.744 nan 8.370 nan 0.000 0.494 111 G N 2.704 111.513 108.800 0.014 0.000 2.155 111 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.257 111 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.257 111 G C 0.314 175.230 174.900 0.027 0.000 0.983 111 G CA 0.195 45.306 45.100 0.019 0.000 0.676 111 G HN 0.582 nan 8.290 nan 0.000 0.528 112 E N 0.486 120.704 120.200 0.029 0.000 2.390 112 E HA 0.381 4.731 4.350 -0.000 0.000 0.261 112 E C 0.345 176.971 176.600 0.044 0.000 1.076 112 E CA 0.038 56.465 56.400 0.045 0.000 0.905 112 E CB 0.622 30.358 29.700 0.059 0.000 0.984 112 E HN 0.582 nan 8.360 nan 0.000 0.427 113 E N 0.748 120.983 120.200 0.058 0.000 2.242 113 E HA 0.363 4.712 4.350 -0.000 0.000 0.275 113 E C -1.116 175.526 176.600 0.068 0.000 1.002 113 E CA -0.646 55.789 56.400 0.057 0.000 0.841 113 E CB 1.837 31.576 29.700 0.065 0.000 1.109 113 E HN 0.085 nan 8.360 nan 0.000 0.394 114 V N 3.326 123.272 119.914 0.053 0.000 2.487 114 V HA 0.171 4.291 4.120 -0.000 0.000 0.298 114 V C -0.762 175.354 176.094 0.036 0.000 1.028 114 V CA -0.886 61.447 62.300 0.055 0.000 0.860 114 V CB 1.381 33.224 31.823 0.033 0.000 0.991 114 V HN 0.497 nan 8.190 nan 0.000 0.427 115 L N 6.109 127.358 121.223 0.043 0.000 2.360 115 L HA 0.452 4.792 4.340 -0.000 0.000 0.276 115 L C -0.108 176.740 176.870 -0.037 0.000 1.121 115 L CA 0.369 55.217 54.840 0.013 0.000 0.845 115 L CB 0.645 42.740 42.059 0.059 0.000 1.143 115 L HN 0.455 nan 8.230 nan 0.000 0.452 116 I N 6.184 126.714 120.570 -0.067 0.000 2.411 116 I HA 0.286 4.456 4.170 -0.000 0.000 0.284 116 I C -2.213 173.849 176.117 -0.092 0.000 1.012 116 I CA -1.954 59.306 61.300 -0.067 0.000 1.119 116 I CB 1.895 39.885 38.000 -0.016 0.000 1.261 116 I HN 0.395 nan 8.210 nan 0.000 0.448 117 P HA 0.074 nan 4.420 nan 0.000 0.267 117 P C -0.428 176.817 177.300 -0.092 0.000 1.209 117 P CA 0.102 63.136 63.100 -0.110 0.000 0.763 117 P CB 0.474 32.117 31.700 -0.095 0.000 0.816 118 T N 1.399 115.877 114.554 -0.126 0.000 2.940 118 T HA 0.563 4.913 4.350 -0.000 0.000 0.288 118 T C -2.816 171.792 174.700 -0.154 0.000 1.033 118 T CA -3.179 58.853 62.100 -0.113 0.000 1.033 118 T CB 0.908 69.724 68.868 -0.087 0.000 1.079 118 T HN 0.000 nan 8.240 nan 0.000 0.496 119 P HA 0.359 nan 4.420 nan 0.000 0.261 119 P C -0.965 176.193 177.300 -0.236 0.000 1.183 119 P CA 0.131 63.081 63.100 -0.250 0.000 0.761 119 P CB 0.097 31.422 31.700 -0.625 0.000 0.785 120 A N 4.002 126.787 122.820 -0.058 0.000 2.423 120 A HA 0.608 4.928 4.320 -0.000 0.000 0.304 120 A C -0.803 176.800 177.584 0.032 0.000 1.104 120 A CA -0.860 51.167 52.037 -0.017 0.000 0.757 120 A CB 0.691 19.751 19.000 0.101 0.000 1.313 120 A HN 0.485 nan 8.150 nan 0.000 0.423 121 F N 1.489 121.236 119.950 -0.338 0.000 2.602 121 F HA 0.225 4.752 4.527 -0.000 0.000 0.367 121 F C 1.619 177.140 175.800 -0.465 0.000 1.126 121 F CA 0.562 58.295 58.000 -0.445 0.000 1.321 121 F CB 1.079 39.609 39.000 -0.783 0.000 1.094 121 F HN 0.475 nan 8.300 nan 0.000 0.594 122 V N 0.822 120.246 119.914 -0.817 0.000 3.078 122 V HA -0.128 3.992 4.120 -0.000 0.000 0.265 122 V C 1.530 177.235 176.094 -0.648 0.000 1.122 122 V CA 1.806 63.720 62.300 -0.643 0.000 1.141 122 V CB -0.783 30.722 31.823 -0.530 0.000 0.735 122 V HN 0.772 nan 8.190 nan 0.000 0.498 123 S N -0.556 114.607 115.700 -0.894 0.000 2.470 123 S HA 0.048 4.518 4.470 -0.000 0.000 0.225 123 S C 1.694 176.214 174.600 -0.134 0.000 1.006 123 S CA 0.916 58.878 58.200 -0.396 0.000 0.934 123 S CB -0.394 62.709 63.200 -0.163 0.000 0.778 123 S HN 0.682 nan 8.310 nan 0.000 0.517 124 Y N 2.106 122.266 120.300 -0.234 0.000 2.114 124 Y HA -0.012 4.538 4.550 -0.000 0.000 0.284 124 Y C 2.750 178.583 175.900 -0.112 0.000 1.143 124 Y CA 0.141 58.112 58.100 -0.215 0.000 1.135 124 Y CB -1.451 36.875 38.460 -0.223 0.000 0.980 124 Y HN 0.260 nan 8.280 nan 0.000 0.499 125 A N 0.211 123.066 122.820 0.060 0.000 1.873 125 A HA -0.097 4.222 4.320 -0.000 0.000 0.215 125 A C 0.020 177.608 177.584 0.006 0.000 1.186 125 A CA 1.531 53.579 52.037 0.020 0.000 0.616 125 A CB -1.855 17.139 19.000 -0.010 0.000 0.823 125 A HN 0.304 nan 8.150 nan 0.000 0.442 126 P HA -0.131 nan 4.420 nan 0.000 0.215 126 P C 1.768 179.083 177.300 0.025 0.000 1.153 126 P CA 1.958 65.053 63.100 -0.008 0.000 0.853 126 P CB -0.109 31.570 31.700 -0.034 0.000 0.788 127 A N -0.337 122.516 122.820 0.056 0.000 1.940 127 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 127 A C 2.371 179.993 177.584 0.063 0.000 1.176 127 A CA 2.198 54.292 52.037 0.094 0.000 0.631 127 A CB -1.866 17.251 19.000 0.196 0.000 0.814 127 A HN 0.215 nan 8.150 nan 0.000 0.446 128 V N -0.437 119.504 119.914 0.044 0.000 2.453 128 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 128 V C 2.120 178.219 176.094 0.008 0.000 1.048 128 V CA 1.958 64.266 62.300 0.013 0.000 1.049 128 V CB -0.496 31.331 31.823 0.007 0.000 0.672 128 V HN 0.521 nan 8.190 nan 0.000 0.457 129 I N 0.052 120.630 120.570 0.014 0.000 2.179 129 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 129 I C 2.520 178.648 176.117 0.018 0.000 1.088 129 I CA 2.001 63.308 61.300 0.011 0.000 1.357 129 I CB -0.368 37.637 38.000 0.007 0.000 1.051 129 I HN 0.291 nan 8.210 nan 0.000 0.409 130 L N 0.563 121.803 121.223 0.029 0.000 2.083 130 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 130 L C 2.768 179.668 176.870 0.050 0.000 1.083 130 L CA 1.252 56.118 54.840 0.044 0.000 0.752 130 L CB -0.747 41.349 42.059 0.062 0.000 0.899 130 L HN 0.247 nan 8.230 nan 0.000 0.433 131 A N -0.570 122.274 122.820 0.040 0.000 2.067 131 A HA 0.121 4.441 4.320 -0.000 0.000 0.219 131 A C 1.862 179.446 177.584 -0.001 0.000 1.158 131 A CA 1.355 53.406 52.037 0.024 0.000 0.661 131 A CB -0.387 18.599 19.000 -0.022 0.000 0.801 131 A HN 0.569 nan 8.150 nan 0.000 0.452 132 G N -3.221 105.578 108.800 -0.001 0.000 2.205 132 G HA2 0.108 4.068 3.960 -0.000 0.000 0.180 132 G HA3 0.108 4.068 3.960 -0.000 0.000 0.180 132 G C 0.613 175.508 174.900 -0.007 0.000 1.004 132 G CA 0.131 45.229 45.100 -0.003 0.000 0.670 132 G HN 1.278 nan 8.290 nan 0.000 0.496 133 G N -0.649 108.142 108.800 -0.014 0.000 2.671 133 G HA2 0.645 4.605 3.960 -0.000 0.000 0.275 133 G HA3 0.645 4.605 3.960 -0.000 0.000 0.275 133 G C -0.858 174.045 174.900 0.005 0.000 1.368 133 G CA -0.593 44.504 45.100 -0.006 0.000 1.044 133 G HN 0.301 nan 8.290 nan 0.000 0.543 134 K N 1.194 121.602 120.400 0.013 0.000 2.463 134 K HA 0.484 4.804 4.320 -0.000 0.000 0.255 134 K C -2.516 174.097 176.600 0.021 0.000 0.942 134 K CA -2.286 54.012 56.287 0.018 0.000 0.814 134 K CB 2.341 34.855 32.500 0.024 0.000 1.122 134 K HN 0.199 nan 8.250 nan 0.000 0.425 135 P HA 0.159 nan 4.420 nan 0.000 0.275 135 P C -0.785 176.522 177.300 0.012 0.000 1.227 135 P CA -0.442 62.665 63.100 0.011 0.000 0.781 135 P CB 1.105 32.809 31.700 0.007 0.000 0.906 136 V N 3.530 123.447 119.914 0.005 0.000 2.443 136 V HA 0.205 4.325 4.120 -0.000 0.000 0.293 136 V C 0.417 176.464 176.094 -0.079 0.000 1.021 136 V CA -0.622 61.679 62.300 0.002 0.000 0.848 136 V CB 1.419 33.274 31.823 0.053 0.000 0.998 136 V HN 0.497 nan 8.190 nan 0.000 0.424 137 E N 3.069 123.198 120.200 -0.119 0.000 2.316 137 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 137 E C -0.955 175.364 176.600 -0.468 0.000 1.029 137 E CA -0.280 55.999 56.400 -0.202 0.000 0.871 137 E CB 1.931 31.546 29.700 -0.141 0.000 1.022 137 E HN 0.427 nan 8.360 nan 0.000 0.418 138 V N 5.773 125.420 119.914 -0.444 0.000 2.357 138 V HA 0.225 4.345 4.120 -0.000 0.000 0.284 138 V C -2.239 173.629 176.094 -0.377 0.000 1.018 138 V CA -2.239 59.672 62.300 -0.647 0.000 0.841 138 V CB 1.290 32.866 31.823 -0.412 0.000 0.991 138 V HN 0.558 nan 8.190 nan 0.000 0.437 139 P HA 0.193 nan 4.420 nan 0.000 0.268 139 P C -0.026 177.044 177.300 -0.384 0.000 1.205 139 P CA 0.280 63.169 63.100 -0.350 0.000 0.771 139 P CB 0.444 31.901 31.700 -0.405 0.000 0.858 140 T N 0.169 114.494 114.554 -0.383 0.000 2.942 140 T HA 0.674 5.024 4.350 -0.000 0.000 0.289 140 T C -1.106 173.349 174.700 -0.408 0.000 1.044 140 T CA -0.613 61.349 62.100 -0.230 0.000 1.023 140 T CB 0.853 69.710 68.868 -0.017 0.000 1.123 140 T HN 0.167 nan 8.240 nan 0.000 0.512 141 Y N -0.135 120.098 120.300 -0.112 0.000 2.512 141 Y HA 0.352 4.902 4.550 -0.000 0.000 0.348 141 Y C 1.626 177.062 175.900 -0.774 0.000 0.990 141 Y CA -1.186 56.739 58.100 -0.291 0.000 1.033 141 Y CB 2.160 40.536 38.460 -0.141 0.000 1.259 141 Y HN 0.920 nan 8.280 nan 0.000 0.461 142 E N 0.183 119.845 120.200 -0.897 0.000 2.153 142 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 142 E C 0.648 177.036 176.600 -0.354 0.000 0.988 142 E CA 1.941 57.728 56.400 -1.021 0.000 0.811 142 E CB -0.031 29.397 29.700 -0.452 0.000 0.746 142 E HN 0.868 nan 8.360 nan 0.000 0.466 143 E N 0.782 120.892 120.200 -0.150 0.000 2.171 143 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 143 E C 0.883 177.441 176.600 -0.071 0.000 0.997 143 E CA 1.378 57.734 56.400 -0.072 0.000 0.810 143 E CB -0.009 29.655 29.700 -0.059 0.000 0.738 143 E HN 0.364 nan 8.360 nan 0.000 0.467 144 D N 0.051 120.399 120.400 -0.087 0.000 2.358 144 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 144 D C -0.419 175.849 176.300 -0.053 0.000 1.123 144 D CA 0.122 54.094 54.000 -0.047 0.000 0.833 144 D CB 0.158 40.959 40.800 0.000 0.000 0.946 144 D HN 0.134 nan 8.370 nan 0.000 0.505 145 E N -0.618 119.522 120.200 -0.101 0.000 2.539 145 E HA -0.280 4.070 4.350 -0.000 0.000 0.253 145 E C -0.342 176.319 176.600 0.102 0.000 1.145 145 E CA 0.044 56.436 56.400 -0.013 0.000 0.738 145 E CB -1.904 27.824 29.700 0.047 0.000 1.308 145 E HN 0.363 nan 8.360 nan 0.000 0.409 146 F N -2.110 117.833 119.950 -0.012 0.000 3.084 146 F HA -0.295 4.232 4.527 -0.000 0.000 0.286 146 F C 0.850 176.604 175.800 -0.077 0.000 0.855 146 F CA 1.193 59.146 58.000 -0.078 0.000 1.091 146 F CB -1.288 37.611 39.000 -0.168 0.000 1.177 146 F HN 0.080 nan 8.300 nan 0.000 0.542 147 R N 0.708 121.251 120.500 0.073 0.000 2.297 147 R HA 0.505 4.845 4.340 -0.000 0.000 0.308 147 R C -0.030 176.284 176.300 0.023 0.000 1.029 147 R CA -1.049 55.073 56.100 0.037 0.000 0.929 147 R CB 0.879 31.194 30.300 0.025 0.000 1.046 147 R HN 0.154 nan 8.270 nan 0.000 0.461 148 L N 2.992 124.214 121.223 -0.001 0.000 2.525 148 L HA 0.017 4.357 4.340 -0.000 0.000 0.278 148 L C -0.292 176.566 176.870 -0.021 0.000 1.218 148 L CA 0.641 55.468 54.840 -0.022 0.000 0.878 148 L CB 0.164 42.191 42.059 -0.054 0.000 1.127 148 L HN 0.574 nan 8.230 nan 0.000 0.492 149 N N 3.557 122.249 118.700 -0.014 0.000 2.372 149 N HA 0.192 4.932 4.740 -0.000 0.000 0.291 149 N C 0.462 175.930 175.510 -0.070 0.000 1.024 149 N CA -0.559 52.481 53.050 -0.016 0.000 0.873 149 N CB 1.820 40.329 38.487 0.038 0.000 1.206 149 N HN 0.463 nan 8.380 nan 0.000 0.486 150 V N 2.318 122.175 119.914 -0.094 0.000 2.626 150 V HA -0.141 3.979 4.120 -0.000 0.000 0.252 150 V C 1.161 177.172 176.094 -0.140 0.000 1.067 150 V CA 1.444 63.637 62.300 -0.179 0.000 1.081 150 V CB -0.398 31.361 31.823 -0.107 0.000 0.686 150 V HN 0.657 nan 8.190 nan 0.000 0.468 151 D N -0.126 120.244 120.400 -0.050 0.000 2.144 151 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 151 D C 2.159 178.464 176.300 0.008 0.000 0.984 151 D CA 1.108 55.100 54.000 -0.012 0.000 0.834 151 D CB -0.026 40.773 40.800 -0.002 0.000 0.955 151 D HN 0.395 nan 8.370 nan 0.000 0.465 152 E N 0.433 120.654 120.200 0.036 0.000 2.072 152 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 152 E C 2.277 178.974 176.600 0.162 0.000 0.982 152 E CA 0.324 56.815 56.400 0.152 0.000 0.803 152 E CB -0.255 29.547 29.700 0.170 0.000 0.755 152 E HN 0.232 nan 8.360 nan 0.000 0.453 153 L N 0.481 121.650 121.223 -0.090 0.000 2.046 153 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 153 L C 2.156 178.938 176.870 -0.147 0.000 1.077 153 L CA 1.096 55.758 54.840 -0.296 0.000 0.747 153 L CB -0.493 40.952 42.059 -1.022 0.000 0.896 153 L HN 0.052 nan 8.230 nan 0.000 0.432 154 K N 0.253 120.609 120.400 -0.074 0.000 2.152 154 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 154 K C 2.017 178.649 176.600 0.053 0.000 1.048 154 K CA 1.222 57.573 56.287 0.106 0.000 0.933 154 K CB -0.338 32.223 32.500 0.101 0.000 0.721 154 K HN 0.128 nan 8.250 nan 0.000 0.447 155 K N -0.085 120.303 120.400 -0.021 0.000 2.148 155 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 155 K C 1.802 178.177 176.600 -0.374 0.000 1.050 155 K CA 1.095 57.252 56.287 -0.218 0.000 0.942 155 K CB -0.265 32.017 32.500 -0.363 0.000 0.724 155 K HN 0.277 nan 8.250 nan 0.000 0.446 156 Y N -0.344 119.970 120.300 0.024 0.000 2.458 156 Y HA 0.120 4.670 4.550 -0.000 0.000 0.254 156 Y C 0.539 176.465 175.900 0.044 0.000 1.120 156 Y CA -0.737 57.381 58.100 0.029 0.000 1.282 156 Y CB 0.169 38.638 38.460 0.016 0.000 1.109 156 Y HN -0.285 nan 8.280 nan 0.000 0.526 157 V N -0.726 119.285 119.914 0.161 0.000 3.051 157 V HA 0.385 4.504 4.120 -0.000 0.000 0.306 157 V C 0.350 176.483 176.094 0.065 0.000 1.083 157 V CA -0.365 61.992 62.300 0.094 0.000 1.104 157 V CB 1.020 32.793 31.823 -0.083 0.000 1.027 157 V HN 0.070 nan 8.190 nan 0.000 0.483 158 T N 0.974 115.565 114.554 0.060 0.000 2.816 158 T HA 0.340 4.690 4.350 -0.000 0.000 0.299 158 T C 0.201 174.938 174.700 0.061 0.000 1.230 158 T CA 0.236 62.371 62.100 0.059 0.000 1.007 158 T CB 1.621 70.525 68.868 0.061 0.000 1.289 158 T HN 0.945 nan 8.240 nan 0.000 0.508 159 D N -0.012 120.422 120.400 0.056 0.000 2.378 159 D HA 0.024 4.664 4.640 -0.000 0.000 0.227 159 D C 1.196 177.525 176.300 0.049 0.000 1.012 159 D CA 0.524 54.555 54.000 0.052 0.000 0.905 159 D CB 0.183 41.007 40.800 0.040 0.000 0.895 159 D HN 0.140 nan 8.370 nan 0.000 0.532 160 K N -0.129 120.302 120.400 0.052 0.000 2.367 160 K HA 0.156 4.476 4.320 -0.000 0.000 0.194 160 K C -0.212 176.427 176.600 0.066 0.000 1.027 160 K CA 0.115 56.434 56.287 0.054 0.000 1.075 160 K CB 0.172 32.701 32.500 0.049 0.000 0.845 160 K HN -0.002 nan 8.250 nan 0.000 0.529 161 T N 0.713 115.308 114.554 0.068 0.000 2.779 161 T HA 0.117 4.467 4.350 -0.000 0.000 0.296 161 T C 0.720 175.475 174.700 0.091 0.000 0.938 161 T CA -0.158 61.988 62.100 0.078 0.000 1.119 161 T CB 1.419 70.328 68.868 0.068 0.000 0.891 161 T HN 0.026 nan 8.240 nan 0.000 0.526 162 R N 1.671 122.248 120.500 0.129 0.000 2.316 162 R HA 0.565 4.905 4.340 -0.000 0.000 0.201 162 R C 0.179 176.612 176.300 0.222 0.000 0.888 162 R CA 0.348 56.558 56.100 0.183 0.000 1.041 162 R CB 0.516 30.971 30.300 0.257 0.000 1.115 162 R HN 0.745 nan 8.270 nan 0.000 0.559 163 A N -0.251 122.696 122.820 0.212 0.000 2.602 163 A HA 0.681 5.001 4.320 -0.000 0.000 0.290 163 A C -2.093 175.570 177.584 0.132 0.000 1.114 163 A CA -0.630 51.531 52.037 0.206 0.000 0.683 163 A CB 1.302 20.533 19.000 0.384 0.000 1.281 163 A HN 0.086 nan 8.150 nan 0.000 0.416 164 L N 0.199 121.481 121.223 0.098 0.000 2.445 164 L HA 0.783 5.123 4.340 -0.000 0.000 0.262 164 L C -1.635 175.226 176.870 -0.014 0.000 0.974 164 L CA -0.277 54.596 54.840 0.053 0.000 0.822 164 L CB 1.680 43.799 42.059 0.099 0.000 1.339 164 L HN 0.635 nan 8.230 nan 0.000 0.409 165 I N 5.704 126.211 120.570 -0.105 0.000 2.404 165 I HA 0.515 4.685 4.170 -0.000 0.000 0.293 165 I C -0.354 175.626 176.117 -0.230 0.000 0.992 165 I CA -0.691 60.462 61.300 -0.246 0.000 1.149 165 I CB 1.651 39.333 38.000 -0.529 0.000 1.315 165 I HN 0.614 nan 8.210 nan 0.000 0.446 166 I N 2.736 123.197 120.570 -0.182 0.000 2.740 166 I HA 0.644 4.814 4.170 -0.000 0.000 0.303 166 I C -1.057 174.999 176.117 -0.102 0.000 1.044 166 I CA -0.764 60.465 61.300 -0.117 0.000 1.064 166 I CB 2.262 40.230 38.000 -0.055 0.000 1.249 166 I HN 0.444 nan 8.210 nan 0.000 0.433 167 N N 2.654 121.329 118.700 -0.043 0.000 2.549 167 N HA 0.442 5.182 4.740 -0.000 0.000 0.281 167 N C -1.868 173.643 175.510 0.001 0.000 1.084 167 N CA -0.139 52.917 53.050 0.010 0.000 0.862 167 N CB 1.875 40.420 38.487 0.096 0.000 1.333 167 N HN 0.758 nan 8.380 nan 0.000 0.523 168 S N 3.558 119.273 115.700 0.025 0.000 2.619 168 S HA 0.622 5.092 4.470 -0.000 0.000 0.280 168 S C -2.885 171.763 174.600 0.080 0.000 1.150 168 S CA -1.156 57.065 58.200 0.035 0.000 0.978 168 S CB 0.970 64.193 63.200 0.040 0.000 1.041 168 S HN 0.342 nan 8.310 nan 0.000 0.485 169 P HA 0.126 nan 4.420 nan 0.000 0.266 169 P C -0.525 176.744 177.300 -0.051 0.000 1.195 169 P CA -0.264 62.825 63.100 -0.019 0.000 0.768 169 P CB 0.243 31.910 31.700 -0.056 0.000 0.838 170 C N 4.319 123.544 119.300 -0.126 0.000 2.463 170 C HA 0.335 4.795 4.460 -0.000 0.000 0.380 170 C C 0.394 175.170 174.990 -0.357 0.000 1.264 170 C CA -0.375 58.527 59.018 -0.193 0.000 2.161 170 C CB -1.187 26.430 27.740 -0.206 0.000 2.515 170 C HN 0.656 nan 8.230 nan 0.000 0.565 171 N N 5.413 123.865 118.700 -0.413 0.000 2.424 171 N HA 0.418 5.158 4.740 -0.000 0.000 0.271 171 N C -1.948 173.145 175.510 -0.696 0.000 0.985 171 N CA -1.439 51.176 53.050 -0.725 0.000 0.921 171 N CB 1.843 39.953 38.487 -0.628 0.000 1.149 171 N HN 0.585 nan 8.380 nan 0.000 0.492 172 P HA 0.114 nan 4.420 nan 0.000 0.272 172 P C 0.754 177.469 177.300 -0.975 0.000 1.276 172 P CA 0.307 62.664 63.100 -1.237 0.000 0.871 172 P CB 0.679 31.323 31.700 -1.760 0.000 1.313 173 T N -0.587 113.390 114.554 -0.962 0.000 3.014 173 T HA 0.172 4.522 4.350 -0.000 0.000 0.263 173 T C 1.512 176.001 174.700 -0.352 0.000 1.078 173 T CA 1.546 63.127 62.100 -0.864 0.000 1.135 173 T CB -0.731 67.538 68.868 -0.998 0.000 0.895 173 T HN 0.274 nan 8.240 nan 0.000 0.480 174 G N 1.262 109.908 108.800 -0.256 0.000 2.162 174 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.260 174 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.260 174 G C 0.274 175.142 174.900 -0.054 0.000 0.976 174 G CA 0.195 45.236 45.100 -0.100 0.000 0.655 174 G HN 0.902 nan 8.290 nan 0.000 0.533 175 A N -0.616 122.155 122.820 -0.081 0.000 2.407 175 A HA 0.719 5.039 4.320 -0.000 0.000 0.248 175 A C 0.565 178.137 177.584 -0.020 0.000 1.082 175 A CA 0.544 52.576 52.037 -0.009 0.000 0.785 175 A CB 1.207 20.216 19.000 0.014 0.000 1.020 175 A HN 1.947 nan 8.150 nan 0.000 0.489 176 V N 3.123 123.040 119.914 0.005 0.000 2.638 176 V HA 0.620 4.740 4.120 -0.000 0.000 0.306 176 V C -0.902 175.204 176.094 0.020 0.000 1.052 176 V CA -1.020 61.283 62.300 0.005 0.000 0.885 176 V CB 1.278 33.099 31.823 -0.003 0.000 0.999 176 V HN 0.717 nan 8.190 nan 0.000 0.424 177 L N 4.729 125.964 121.223 0.021 0.000 2.453 177 L HA 0.378 4.718 4.340 -0.000 0.000 0.272 177 L C 1.170 178.074 176.870 0.057 0.000 1.182 177 L CA 1.049 55.905 54.840 0.027 0.000 0.858 177 L CB 0.697 42.765 42.059 0.014 0.000 1.120 177 L HN 0.897 nan 8.230 nan 0.000 0.474 178 T N 2.296 116.882 114.554 0.054 0.000 2.918 178 T HA 0.020 4.369 4.350 -0.000 0.000 0.302 178 T C 1.279 176.008 174.700 0.048 0.000 1.045 178 T CA -0.327 61.818 62.100 0.075 0.000 1.114 178 T CB 0.942 69.830 68.868 0.034 0.000 0.965 178 T HN 0.585 nan 8.240 nan 0.000 0.540 179 K N 2.656 123.054 120.400 -0.002 0.000 2.089 179 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 179 K C 2.069 178.560 176.600 -0.182 0.000 1.048 179 K CA 1.819 57.909 56.287 -0.328 0.000 0.926 179 K CB -0.087 31.974 32.500 -0.731 0.000 0.714 179 K HN 0.475 nan 8.250 nan 0.000 0.448 180 K N -0.146 120.190 120.400 -0.106 0.000 2.148 180 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 180 K C 1.302 177.876 176.600 -0.042 0.000 1.050 180 K CA 1.593 57.839 56.287 -0.069 0.000 0.942 180 K CB -0.040 32.433 32.500 -0.044 0.000 0.724 180 K HN 0.237 nan 8.250 nan 0.000 0.446 181 D N 0.917 121.300 120.400 -0.028 0.000 2.097 181 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 181 D C 1.950 178.238 176.300 -0.019 0.000 0.989 181 D CA 0.941 54.931 54.000 -0.017 0.000 0.827 181 D CB -0.118 40.678 40.800 -0.006 0.000 0.966 181 D HN 0.193 nan 8.370 nan 0.000 0.456 182 L N 0.830 122.037 121.223 -0.028 0.000 2.046 182 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 182 L C 2.348 179.203 176.870 -0.025 0.000 1.077 182 L CA 1.165 55.989 54.840 -0.026 0.000 0.747 182 L CB -0.367 41.668 42.059 -0.040 0.000 0.896 182 L HN 0.039 nan 8.230 nan 0.000 0.432 183 E N 0.026 120.198 120.200 -0.047 0.000 2.077 183 E HA -0.225 4.124 4.350 -0.000 0.000 0.193 183 E C 2.048 178.648 176.600 -0.001 0.000 0.989 183 E CA 1.210 57.588 56.400 -0.036 0.000 0.800 183 E CB 0.016 29.681 29.700 -0.058 0.000 0.746 183 E HN 0.533 nan 8.360 nan 0.000 0.452 184 E N 0.616 120.818 120.200 0.003 0.000 2.152 184 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 184 E C 2.305 178.946 176.600 0.068 0.000 0.983 184 E CA 0.883 57.301 56.400 0.030 0.000 0.818 184 E CB -0.133 29.576 29.700 0.014 0.000 0.758 184 E HN 0.447 nan 8.360 nan 0.000 0.467 185 I N -1.911 118.690 120.570 0.051 0.000 2.617 185 I HA 0.054 4.224 4.170 -0.000 0.000 0.256 185 I C 2.320 178.530 176.117 0.155 0.000 1.167 185 I CA 0.775 62.132 61.300 0.094 0.000 1.469 185 I CB -0.203 37.817 38.000 0.033 0.000 1.098 185 I HN -0.095 nan 8.210 nan 0.000 0.436 186 A N 1.680 124.553 122.820 0.089 0.000 1.933 186 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 186 A C 1.813 179.448 177.584 0.085 0.000 1.175 186 A CA 2.275 54.355 52.037 0.071 0.000 0.628 186 A CB -0.900 18.117 19.000 0.030 0.000 0.814 186 A HN 0.500 nan 8.150 nan 0.000 0.444 187 D N -1.317 119.140 120.400 0.094 0.000 2.087 187 D HA -0.171 4.469 4.640 -0.000 0.000 0.192 187 D C 1.599 177.986 176.300 0.145 0.000 0.993 187 D CA 1.790 55.846 54.000 0.094 0.000 0.828 187 D CB -0.267 40.588 40.800 0.092 0.000 0.968 187 D HN 0.419 nan 8.370 nan 0.000 0.448 188 F N 0.691 120.684 119.950 0.071 0.000 2.091 188 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 188 F C 2.061 177.980 175.800 0.199 0.000 1.103 188 F CA 1.107 59.201 58.000 0.157 0.000 1.228 188 F CB -0.440 38.627 39.000 0.112 0.000 0.984 188 F HN -0.135 nan 8.300 nan 0.000 0.477 189 V N -0.337 119.665 119.914 0.147 0.000 2.287 189 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 189 V C 2.362 178.430 176.094 -0.043 0.000 1.053 189 V CA 1.788 64.105 62.300 0.029 0.000 1.027 189 V CB -0.811 31.066 31.823 0.090 0.000 0.646 189 V HN 0.307 nan 8.190 nan 0.000 0.447 190 V N -0.056 119.843 119.914 -0.026 0.000 2.379 190 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 190 V C 2.441 178.468 176.094 -0.111 0.000 1.044 190 V CA 2.158 64.427 62.300 -0.051 0.000 1.036 190 V CB -0.634 31.173 31.823 -0.027 0.000 0.664 190 V HN 0.699 nan 8.190 nan 0.000 0.453 191 E N 0.122 120.228 120.200 -0.157 0.000 2.118 191 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 191 E C 1.644 177.945 176.600 -0.498 0.000 0.992 191 E CA 1.792 58.010 56.400 -0.304 0.000 0.804 191 E CB -0.084 29.423 29.700 -0.321 0.000 0.741 191 E HN 0.823 nan 8.360 nan 0.000 0.458 192 H N -0.006 118.890 119.070 -0.291 0.000 2.520 192 H HA 0.143 4.699 4.556 -0.000 0.000 0.284 192 H C -0.343 174.879 175.328 -0.176 0.000 1.037 192 H CA 0.365 56.244 56.048 -0.281 0.000 1.168 192 H CB 0.450 29.914 29.762 -0.497 0.000 1.497 192 H HN 0.126 nan 8.280 nan 0.000 0.547 193 D N 1.526 121.879 120.400 -0.079 0.000 2.740 193 D HA -0.191 4.449 4.640 -0.000 0.000 0.231 193 D C -0.607 175.676 176.300 -0.029 0.000 1.194 193 D CA 0.394 54.363 54.000 -0.052 0.000 0.673 193 D CB -0.738 40.033 40.800 -0.049 0.000 0.995 193 D HN 0.430 nan 8.370 nan 0.000 0.411 194 L N 0.839 122.044 121.223 -0.030 0.000 2.358 194 L HA 0.640 4.980 4.340 -0.000 0.000 0.268 194 L C 0.885 177.727 176.870 -0.046 0.000 1.032 194 L CA -1.224 53.609 54.840 -0.010 0.000 0.805 194 L CB 1.461 43.526 42.059 0.011 0.000 1.253 194 L HN 0.113 nan 8.230 nan 0.000 0.452 195 I N -0.419 120.105 120.570 -0.077 0.000 2.562 195 I HA 0.626 4.796 4.170 -0.000 0.000 0.301 195 I C -0.754 175.337 176.117 -0.043 0.000 1.003 195 I CA -0.677 60.534 61.300 -0.147 0.000 1.127 195 I CB 2.016 39.752 38.000 -0.439 0.000 1.304 195 I HN 0.218 nan 8.210 nan 0.000 0.446 196 V N 6.308 126.195 119.914 -0.045 0.000 2.435 196 V HA 0.493 4.613 4.120 -0.000 0.000 0.290 196 V C 0.143 176.225 176.094 -0.020 0.000 1.030 196 V CA -0.579 61.715 62.300 -0.009 0.000 0.881 196 V CB 1.131 32.951 31.823 -0.006 0.000 0.983 196 V HN 0.595 nan 8.190 nan 0.000 0.445 197 I N 3.192 123.761 120.570 -0.001 0.000 2.321 197 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 197 I C 0.228 176.332 176.117 -0.022 0.000 0.998 197 I CA 0.053 61.360 61.300 0.011 0.000 1.227 197 I CB 1.773 39.815 38.000 0.070 0.000 1.368 197 I HN 0.686 nan 8.210 nan 0.000 0.466 198 S N 5.069 120.767 115.700 -0.004 0.000 2.498 198 S HA 0.188 4.657 4.470 -0.000 0.000 0.324 198 S C -0.607 174.004 174.600 0.020 0.000 1.071 198 S CA -0.673 57.524 58.200 -0.005 0.000 1.113 198 S CB 0.518 63.719 63.200 0.002 0.000 0.976 198 S HN 0.547 nan 8.310 nan 0.000 0.462 199 D N 3.894 124.311 120.400 0.028 0.000 2.380 199 D HA 0.209 4.849 4.640 -0.000 0.000 0.230 199 D C 0.254 176.548 176.300 -0.009 0.000 1.154 199 D CA -0.146 53.895 54.000 0.069 0.000 0.859 199 D CB 0.844 41.747 40.800 0.171 0.000 1.045 199 D HN 0.671 nan 8.370 nan 0.000 0.495 200 E N 2.331 122.480 120.200 -0.085 0.000 2.496 200 E HA 0.026 4.376 4.350 -0.000 0.000 0.200 200 E C 1.821 178.230 176.600 -0.317 0.000 1.016 200 E CA -0.043 56.269 56.400 -0.146 0.000 0.962 200 E CB 0.756 30.407 29.700 -0.082 0.000 1.071 200 E HN 0.438 nan 8.360 nan 0.000 0.457 201 V N -1.696 118.003 119.914 -0.359 0.000 2.720 201 V HA -0.236 3.884 4.120 -0.000 0.000 0.256 201 V C 1.329 177.063 176.094 -0.599 0.000 1.082 201 V CA 1.374 63.367 62.300 -0.512 0.000 1.101 201 V CB -0.849 30.621 31.823 -0.589 0.000 0.693 201 V HN 0.308 nan 8.190 nan 0.000 0.479 202 Y N 1.827 121.973 120.300 -0.258 0.000 2.493 202 Y HA 0.213 4.762 4.550 -0.000 0.000 0.275 202 Y C 2.309 177.986 175.900 -0.371 0.000 1.183 202 Y CA 0.332 58.303 58.100 -0.215 0.000 1.258 202 Y CB -0.293 38.046 38.460 -0.202 0.000 1.108 202 Y HN 0.495 nan 8.280 nan 0.000 0.521 203 E N -0.654 119.240 120.200 -0.509 0.000 2.233 203 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 203 E C 1.033 177.174 176.600 -0.766 0.000 1.004 203 E CA 1.803 57.685 56.400 -0.862 0.000 0.819 203 E CB -0.330 28.606 29.700 -1.273 0.000 0.738 203 E HN 0.520 nan 8.360 nan 0.000 0.478 204 H N -0.881 117.835 119.070 -0.590 0.000 2.563 204 H HA 0.116 4.671 4.556 -0.000 0.000 0.264 204 H C -0.215 174.764 175.328 -0.582 0.000 0.957 204 H CA 0.266 55.966 56.048 -0.580 0.000 1.173 204 H CB 0.211 29.595 29.762 -0.629 0.000 1.420 204 H HN 0.155 nan 8.280 nan 0.000 0.551 205 F N 3.094 123.044 119.950 0.001 0.000 2.359 205 F HA 0.209 4.736 4.527 -0.000 0.000 0.355 205 F C 0.553 176.028 175.800 -0.541 0.000 1.132 205 F CA -0.941 57.000 58.000 -0.098 0.000 1.246 205 F CB 0.008 39.062 39.000 0.090 0.000 1.569 205 F HN -0.068 nan 8.300 nan 0.000 0.561 206 I N -0.342 119.911 120.570 -0.528 0.000 2.785 206 I HA 0.675 4.845 4.170 -0.000 0.000 0.302 206 I C -1.530 174.189 176.117 -0.664 0.000 1.069 206 I CA -1.766 59.178 61.300 -0.594 0.000 1.045 206 I CB 1.460 39.314 38.000 -0.243 0.000 1.236 206 I HN 0.147 nan 8.210 nan 0.000 0.429 207 Y N 0.925 121.271 120.300 0.077 0.000 2.609 207 Y HA 0.554 5.104 4.550 -0.000 0.000 0.342 207 Y C 0.522 176.435 175.900 0.021 0.000 1.058 207 Y CA -0.514 57.625 58.100 0.064 0.000 1.055 207 Y CB 0.604 39.103 38.460 0.066 0.000 1.292 207 Y HN 0.741 nan 8.280 nan 0.000 0.476 208 D N 0.016 120.529 120.400 0.189 0.000 3.608 208 D HA -0.264 4.375 4.640 -0.000 0.000 0.152 208 D C 0.673 177.006 176.300 0.054 0.000 0.971 208 D CA 1.910 55.961 54.000 0.084 0.000 1.072 208 D CB -0.953 39.872 40.800 0.042 0.000 0.507 208 D HN 0.843 nan 8.370 nan 0.000 0.520 209 D N 0.880 121.301 120.400 0.034 0.000 2.349 209 D HA 0.273 4.913 4.640 -0.000 0.000 0.224 209 D C 0.495 176.806 176.300 0.017 0.000 1.029 209 D CA 0.665 54.681 54.000 0.025 0.000 0.879 209 D CB -0.492 40.322 40.800 0.023 0.000 0.906 209 D HN 0.547 nan 8.370 nan 0.000 0.528 210 A N 0.778 123.603 122.820 0.009 0.000 2.340 210 A HA 0.612 4.932 4.320 -0.000 0.000 0.268 210 A C 0.017 177.559 177.584 -0.070 0.000 1.100 210 A CA -0.637 51.388 52.037 -0.020 0.000 0.803 210 A CB 0.470 19.453 19.000 -0.028 0.000 1.043 210 A HN 0.222 nan 8.150 nan 0.000 0.488 211 R N 0.665 121.088 120.500 -0.128 0.000 2.621 211 R HA 0.541 4.881 4.340 -0.000 0.000 0.284 211 R C -1.031 174.988 176.300 -0.467 0.000 0.998 211 R CA -0.777 55.139 56.100 -0.306 0.000 0.895 211 R CB 0.256 30.349 30.300 -0.346 0.000 1.195 211 R HN 0.790 nan 8.270 nan 0.000 0.450 212 H N 1.594 120.330 119.070 -0.557 0.000 2.517 212 H HA 0.498 5.054 4.556 -0.000 0.000 0.317 212 H C -1.158 173.776 175.328 -0.656 0.000 1.080 212 H CA -0.447 55.319 56.048 -0.470 0.000 1.301 212 H CB 0.456 30.006 29.762 -0.353 0.000 1.425 212 H HN 0.605 nan 8.280 nan 0.000 0.471 213 Y N 1.918 121.811 120.300 -0.678 0.000 2.549 213 Y HA 0.446 4.996 4.550 -0.000 0.000 0.339 213 Y C 0.068 175.603 175.900 -0.608 0.000 1.053 213 Y CA -1.073 56.737 58.100 -0.483 0.000 1.105 213 Y CB 2.162 40.471 38.460 -0.252 0.000 1.258 213 Y HN 0.527 nan 8.280 nan 0.000 0.478 214 S N 1.978 117.601 115.700 -0.128 0.000 2.449 214 S HA 0.292 4.762 4.470 -0.000 0.000 0.310 214 S C 0.879 175.477 174.600 -0.004 0.000 1.096 214 S CA -0.702 57.458 58.200 -0.066 0.000 1.095 214 S CB 1.039 64.249 63.200 0.018 0.000 1.007 214 S HN 0.775 nan 8.310 nan 0.000 0.474 215 I N 3.001 123.570 120.570 -0.001 0.000 2.423 215 I HA -0.222 3.947 4.170 -0.000 0.000 0.254 215 I C 2.174 178.309 176.117 0.030 0.000 1.151 215 I CA 1.123 62.427 61.300 0.007 0.000 1.421 215 I CB -0.128 37.874 38.000 0.004 0.000 1.079 215 I HN 0.809 nan 8.210 nan 0.000 0.431 216 A N -0.104 122.750 122.820 0.057 0.000 2.172 216 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 216 A C 2.323 179.987 177.584 0.134 0.000 1.154 216 A CA 1.565 53.674 52.037 0.120 0.000 0.701 216 A CB -0.647 18.473 19.000 0.200 0.000 0.789 216 A HN 0.611 nan 8.150 nan 0.000 0.465 217 S N -0.771 114.974 115.700 0.075 0.000 2.501 217 S HA 0.246 4.716 4.470 -0.000 0.000 0.220 217 S C 0.709 175.325 174.600 0.027 0.000 0.997 217 S CA -0.277 57.952 58.200 0.048 0.000 0.919 217 S CB -0.504 62.717 63.200 0.034 0.000 0.778 217 S HN 0.393 nan 8.310 nan 0.000 0.523 218 L N 2.990 124.225 121.223 0.019 0.000 2.466 218 L HA 0.220 4.560 4.340 -0.000 0.000 0.257 218 L C 0.008 176.888 176.870 0.016 0.000 1.189 218 L CA -0.699 54.140 54.840 -0.001 0.000 0.813 218 L CB 0.047 42.096 42.059 -0.017 0.000 1.118 218 L HN 0.383 nan 8.230 nan 0.000 0.471 219 D N 1.357 121.759 120.400 0.002 0.000 6.725 219 D HA -0.211 4.428 4.640 -0.000 0.000 0.164 219 D C 0.989 177.302 176.300 0.022 0.000 1.245 219 D CA 0.775 54.779 54.000 0.007 0.000 0.790 219 D CB -0.470 40.328 40.800 -0.004 0.000 1.490 219 D HN 0.890 nan 8.370 nan 0.000 0.862 220 G N 3.162 111.983 108.800 0.035 0.000 2.200 220 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 220 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 220 G C 1.000 175.936 174.900 0.060 0.000 0.993 220 G CA 0.703 45.831 45.100 0.048 0.000 0.701 220 G HN 0.528 nan 8.290 nan 0.000 0.524 221 M N -1.138 118.502 119.600 0.067 0.000 2.388 221 M HA 0.235 4.715 4.480 -0.000 0.000 0.265 221 M C 2.047 178.388 176.300 0.069 0.000 1.088 221 M CA 0.571 55.903 55.300 0.053 0.000 1.134 221 M CB -1.071 31.554 32.600 0.042 0.000 1.384 221 M HN 0.356 nan 8.290 nan 0.000 0.447 222 F N 2.098 122.046 119.950 -0.003 0.000 2.147 222 F HA -0.279 4.248 4.527 -0.000 0.000 0.301 222 F C 1.760 177.559 175.800 -0.002 0.000 1.084 222 F CA 1.820 59.817 58.000 -0.004 0.000 1.268 222 F CB 0.118 39.118 39.000 -0.001 0.000 1.009 222 F HN 0.157 nan 8.300 nan 0.000 0.486 223 E N -0.239 119.940 120.200 -0.036 0.000 2.204 223 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 223 E C 1.765 178.300 176.600 -0.108 0.000 0.989 223 E CA 0.786 57.147 56.400 -0.065 0.000 0.824 223 E CB -0.177 29.572 29.700 0.081 0.000 0.756 223 E HN 0.124 nan 8.360 nan 0.000 0.477 224 R N -0.213 120.223 120.500 -0.107 0.000 2.393 224 R HA 0.222 4.562 4.340 -0.000 0.000 0.244 224 R C -0.597 175.604 176.300 -0.165 0.000 0.920 224 R CA 0.277 56.317 56.100 -0.101 0.000 1.076 224 R CB 0.382 30.652 30.300 -0.050 0.000 1.119 224 R HN -0.044 nan 8.270 nan 0.000 0.524 225 T N -0.111 114.292 114.554 -0.252 0.000 2.861 225 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 225 T C -0.307 174.221 174.700 -0.287 0.000 1.003 225 T CA -0.476 61.490 62.100 -0.223 0.000 0.977 225 T CB 2.075 70.860 68.868 -0.138 0.000 0.996 225 T HN -0.069 nan 8.240 nan 0.000 0.448 226 I N 3.111 123.573 120.570 -0.179 0.000 2.330 226 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 226 I C 0.577 176.648 176.117 -0.077 0.000 1.025 226 I CA -0.546 60.666 61.300 -0.148 0.000 1.197 226 I CB 1.311 39.259 38.000 -0.086 0.000 1.358 226 I HN 0.596 nan 8.210 nan 0.000 0.467 227 T N 6.029 120.551 114.554 -0.054 0.000 2.794 227 T HA 0.593 4.943 4.350 -0.000 0.000 0.280 227 T C -0.620 174.038 174.700 -0.070 0.000 0.987 227 T CA -0.591 61.494 62.100 -0.026 0.000 0.993 227 T CB 1.449 70.334 68.868 0.027 0.000 0.939 227 T HN 0.358 nan 8.240 nan 0.000 0.449 228 V N 4.183 124.032 119.914 -0.109 0.000 2.628 228 V HA 0.851 4.971 4.120 -0.000 0.000 0.306 228 V C -0.892 174.989 176.094 -0.356 0.000 1.045 228 V CA -0.640 61.517 62.300 -0.239 0.000 0.905 228 V CB 1.751 33.438 31.823 -0.226 0.000 0.997 228 V HN 1.060 nan 8.190 nan 0.000 0.436 229 N N 2.462 120.739 118.700 -0.704 0.000 3.243 229 N HA 0.893 5.633 4.740 -0.000 0.000 0.280 229 N C -0.459 174.374 175.510 -1.129 0.000 1.545 229 N CA 0.354 52.883 53.050 -0.869 0.000 0.854 229 N CB 2.061 40.020 38.487 -0.878 0.000 1.612 229 N HN 1.318 nan 8.380 nan 0.000 0.577 230 G N -0.941 107.316 108.800 -0.906 0.000 2.428 230 G HA2 0.337 4.297 3.960 -0.000 0.000 0.304 230 G HA3 0.337 4.297 3.960 -0.000 0.000 0.304 230 G C -1.026 173.553 174.900 -0.536 0.000 1.303 230 G CA -0.463 44.298 45.100 -0.565 0.000 0.825 230 G HN 0.305 nan 8.290 nan 0.000 0.484 231 F N 0.518 120.426 119.950 -0.071 0.000 2.746 231 F HA 0.198 4.725 4.527 -0.000 0.000 0.297 231 F C 2.718 178.473 175.800 -0.074 0.000 1.113 231 F CA 0.887 58.815 58.000 -0.120 0.000 1.367 231 F CB 0.539 39.531 39.000 -0.013 0.000 1.111 231 F HN 0.323 nan 8.300 nan 0.000 0.590 232 S N 0.524 116.286 115.700 0.104 0.000 2.359 232 S HA -0.186 4.284 4.470 -0.000 0.000 0.223 232 S C 2.080 176.764 174.600 0.140 0.000 1.039 232 S CA 1.463 59.735 58.200 0.120 0.000 1.042 232 S CB -0.132 63.121 63.200 0.090 0.000 0.915 232 S HN 0.220 nan 8.310 nan 0.000 0.439 233 K N 0.560 120.998 120.400 0.062 0.000 2.128 233 K HA 0.081 4.401 4.320 -0.000 0.000 0.202 233 K C 2.569 179.419 176.600 0.417 0.000 1.050 233 K CA 1.441 57.876 56.287 0.246 0.000 0.966 233 K CB -1.349 31.138 32.500 -0.021 0.000 0.759 233 K HN 0.562 nan 8.250 nan 0.000 0.454 234 T N -0.856 113.774 114.554 0.126 0.000 2.951 234 T HA -0.046 4.303 4.350 -0.000 0.000 0.268 234 T C 0.986 175.794 174.700 0.180 0.000 1.073 234 T CA 0.777 62.924 62.100 0.078 0.000 1.134 234 T CB -0.085 68.600 68.868 -0.305 0.000 0.884 234 T HN -0.040 nan 8.240 nan 0.000 0.479 235 F N 1.414 121.415 119.950 0.085 0.000 2.668 235 F HA 0.726 5.253 4.527 -0.000 0.000 0.301 235 F C 1.391 177.197 175.800 0.009 0.000 1.106 235 F CA -1.648 56.342 58.000 -0.017 0.000 1.289 235 F CB -0.610 38.322 39.000 -0.113 0.000 1.006 235 F HN 0.345 nan 8.300 nan 0.000 0.535 236 A N 0.557 123.555 122.820 0.298 0.000 2.687 236 A HA -0.275 4.045 4.320 -0.000 0.000 0.299 236 A C 0.809 178.504 177.584 0.186 0.000 1.497 236 A CA 1.090 53.285 52.037 0.262 0.000 0.751 236 A CB -2.276 16.885 19.000 0.269 0.000 1.048 236 A HN 0.404 nan 8.150 nan 0.000 0.464 237 M N 0.179 119.866 119.600 0.146 0.000 2.869 237 M HA 0.062 4.541 4.480 -0.000 0.000 0.338 237 M C 1.747 178.213 176.300 0.278 0.000 1.227 237 M CA 0.630 55.970 55.300 0.066 0.000 0.946 237 M CB 0.069 32.531 32.600 -0.231 0.000 1.299 237 M HN 0.744 nan 8.290 nan 0.000 0.518 238 T N -2.867 111.852 114.554 0.275 0.000 2.833 238 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 238 T C 1.783 176.640 174.700 0.262 0.000 1.054 238 T CA 1.639 63.886 62.100 0.245 0.000 1.135 238 T CB -0.492 68.508 68.868 0.220 0.000 0.869 238 T HN 0.565 nan 8.240 nan 0.000 0.466 239 G N -0.903 108.082 108.800 0.309 0.000 2.920 239 G HA2 0.135 4.094 3.960 -0.000 0.000 0.208 239 G HA3 0.135 4.094 3.960 -0.000 0.000 0.208 239 G C 0.755 175.790 174.900 0.225 0.000 1.159 239 G CA -0.332 44.902 45.100 0.224 0.000 0.784 239 G HN 0.564 nan 8.290 nan 0.000 0.535 240 W N -0.047 121.293 121.300 0.067 0.000 2.812 240 W HA 0.311 4.970 4.660 -0.000 0.000 0.263 240 W C 0.593 177.123 176.519 0.019 0.000 1.284 240 W CA -0.448 56.919 57.345 0.037 0.000 1.430 240 W CB 0.472 29.956 29.460 0.041 0.000 1.088 240 W HN -0.034 nan 8.180 nan 0.000 0.623 241 R N -0.163 120.491 120.500 0.257 0.000 3.152 241 R HA -0.191 4.148 4.340 -0.000 0.000 0.252 241 R C -1.230 175.160 176.300 0.149 0.000 0.930 241 R CA 0.348 56.544 56.100 0.160 0.000 0.642 241 R CB -2.648 27.712 30.300 0.099 0.000 1.205 241 R HN 0.198 nan 8.270 nan 0.000 0.452 242 L N -0.598 120.742 121.223 0.194 0.000 2.439 242 L HA 0.816 5.156 4.340 -0.000 0.000 0.270 242 L C 0.392 177.465 176.870 0.339 0.000 0.972 242 L CA 0.192 55.162 54.840 0.217 0.000 0.836 242 L CB 2.164 44.300 42.059 0.128 0.000 1.255 242 L HN 0.450 nan 8.230 nan 0.000 0.404 243 G N 2.591 111.550 108.800 0.265 0.000 2.866 243 G HA2 0.788 4.747 3.960 -0.000 0.000 0.289 243 G HA3 0.788 4.747 3.960 -0.000 0.000 0.289 243 G C -1.699 173.334 174.900 0.221 0.000 1.396 243 G CA -0.425 44.754 45.100 0.131 0.000 0.848 243 G HN 0.627 nan 8.290 nan 0.000 0.515 244 F N -1.826 118.115 119.950 -0.016 0.000 2.741 244 F HA 0.769 5.296 4.527 -0.000 0.000 0.311 244 F C -0.851 174.910 175.800 -0.065 0.000 1.149 244 F CA -1.515 56.476 58.000 -0.016 0.000 0.930 244 F CB 1.368 40.385 39.000 0.030 0.000 1.312 244 F HN 0.760 nan 8.300 nan 0.000 0.450 245 V N -0.897 119.112 119.914 0.158 0.000 2.962 245 V HA 1.011 5.131 4.120 -0.000 0.000 0.313 245 V C -0.818 175.379 176.094 0.171 0.000 1.099 245 V CA -0.876 61.457 62.300 0.055 0.000 0.971 245 V CB 1.087 32.884 31.823 -0.043 0.000 1.028 245 V HN 1.637 nan 8.190 nan 0.000 0.430 246 A N 2.085 124.997 122.820 0.153 0.000 2.343 246 A HA 1.073 5.393 4.320 -0.000 0.000 0.316 246 A C -0.068 177.568 177.584 0.087 0.000 1.104 246 A CA 0.006 52.160 52.037 0.195 0.000 0.768 246 A CB 1.242 20.412 19.000 0.282 0.000 1.213 246 A HN 2.544 nan 8.150 nan 0.000 0.456 247 A N 2.994 125.825 122.820 0.018 0.000 2.586 247 A HA 0.897 5.217 4.320 -0.000 0.000 0.290 247 A C -3.267 174.140 177.584 -0.294 0.000 1.086 247 A CA -1.445 50.405 52.037 -0.311 0.000 0.665 247 A CB 0.682 19.516 19.000 -0.276 0.000 1.279 247 A HN 0.512 nan 8.150 nan 0.000 0.423 248 P HA 0.144 nan 4.420 nan 0.000 0.266 248 P C 0.914 178.116 177.300 -0.163 0.000 1.193 248 P CA 0.453 63.422 63.100 -0.218 0.000 0.770 248 P CB 0.567 32.117 31.700 -0.250 0.000 0.836 249 S N 2.096 117.821 115.700 0.042 0.000 2.393 249 S HA -0.203 4.267 4.470 -0.000 0.000 0.234 249 S C 1.555 176.189 174.600 0.057 0.000 1.064 249 S CA 1.725 59.966 58.200 0.067 0.000 1.088 249 S CB -0.929 62.354 63.200 0.139 0.000 0.939 249 S HN 0.735 nan 8.310 nan 0.000 0.448 250 W N 1.249 122.567 121.300 0.030 0.000 2.425 250 W HA 0.091 4.751 4.660 0.000 0.000 0.277 250 W C 1.499 178.043 176.519 0.043 0.000 1.231 250 W CA 0.348 57.713 57.345 0.033 0.000 1.248 250 W CB -0.867 28.606 29.460 0.022 0.000 1.117 250 W HN 0.281 nan 8.180 nan 0.000 0.568 251 I N 0.777 120.875 120.570 -0.786 0.000 2.277 251 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 251 I C 2.650 178.630 176.117 -0.228 0.000 1.094 251 I CA 0.782 61.694 61.300 -0.647 0.000 1.393 251 I CB -0.497 36.991 38.000 -0.854 0.000 1.078 251 I HN -0.238 nan 8.210 nan 0.000 0.417 252 I N 1.079 121.543 120.570 -0.176 0.000 2.163 252 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 252 I C 2.618 178.732 176.117 -0.004 0.000 1.085 252 I CA 1.628 62.891 61.300 -0.063 0.000 1.347 252 I CB -1.411 36.574 38.000 -0.025 0.000 1.044 252 I HN 0.437 nan 8.210 nan 0.000 0.408 253 E N 1.596 121.814 120.200 0.030 0.000 2.118 253 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 253 E C 2.245 178.897 176.600 0.088 0.000 0.992 253 E CA 1.541 57.983 56.400 0.070 0.000 0.804 253 E CB -0.042 29.721 29.700 0.104 0.000 0.741 253 E HN 0.482 nan 8.360 nan 0.000 0.458 254 R N -0.546 120.016 120.500 0.104 0.000 2.153 254 R HA 0.094 4.434 4.340 -0.000 0.000 0.218 254 R C 2.531 178.921 176.300 0.149 0.000 1.072 254 R CA 1.274 57.459 56.100 0.141 0.000 0.990 254 R CB -0.100 30.308 30.300 0.180 0.000 0.889 254 R HN 0.265 nan 8.270 nan 0.000 0.452 255 M N 0.296 119.950 119.600 0.091 0.000 2.254 255 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 255 M C 2.246 178.590 176.300 0.073 0.000 1.066 255 M CA 1.150 56.497 55.300 0.077 0.000 1.123 255 M CB 0.031 32.625 32.600 -0.009 0.000 1.388 255 M HN 0.124 nan 8.290 nan 0.000 0.425 256 V N -1.428 118.516 119.914 0.049 0.000 3.129 256 V HA -0.091 4.028 4.120 -0.000 0.000 0.259 256 V C 2.001 178.109 176.094 0.023 0.000 1.116 256 V CA 1.348 63.662 62.300 0.023 0.000 1.127 256 V CB -0.664 31.163 31.823 0.006 0.000 0.742 256 V HN 0.409 nan 8.190 nan 0.000 0.474 257 K N -0.182 120.261 120.400 0.072 0.000 2.025 257 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 257 K C 2.087 178.752 176.600 0.109 0.000 1.049 257 K CA 1.985 58.315 56.287 0.072 0.000 0.933 257 K CB -0.419 32.165 32.500 0.140 0.000 0.714 257 K HN 0.593 nan 8.250 nan 0.000 0.438 258 F N 1.492 121.460 119.950 0.031 0.000 2.161 258 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 258 F C 2.537 178.321 175.800 -0.027 0.000 1.089 258 F CA 1.179 59.215 58.000 0.060 0.000 1.282 258 F CB 0.112 39.145 39.000 0.055 0.000 1.010 258 F HN 0.193 nan 8.300 nan 0.000 0.485 259 Q N 0.619 120.525 119.800 0.177 0.000 2.167 259 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 259 Q C 1.926 177.884 176.000 -0.071 0.000 0.970 259 Q CA 1.718 57.543 55.803 0.037 0.000 0.855 259 Q CB -0.293 28.432 28.738 -0.022 0.000 0.911 259 Q HN 0.490 nan 8.270 nan 0.000 0.438 260 M N -1.178 118.267 119.600 -0.257 0.000 2.358 260 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 260 M C 0.334 176.250 176.300 -0.638 0.000 1.064 260 M CA 1.131 56.121 55.300 -0.517 0.000 1.093 260 M CB 0.073 32.185 32.600 -0.815 0.000 1.401 260 M HN 0.166 nan 8.290 nan 0.000 0.440 261 Y N -1.243 119.112 120.300 0.092 0.000 2.636 261 Y HA 0.282 4.831 4.550 -0.000 0.000 0.260 261 Y C 1.130 177.112 175.900 0.136 0.000 1.177 261 Y CA -0.612 57.532 58.100 0.072 0.000 1.209 261 Y CB -0.434 38.033 38.460 0.012 0.000 1.166 261 Y HN 0.193 nan 8.280 nan 0.000 0.531 262 N N 0.380 119.198 118.700 0.196 0.000 2.683 262 N HA 0.307 5.047 4.740 -0.000 0.000 0.135 262 N C 1.229 176.793 175.510 0.089 0.000 1.546 262 N CA 1.050 54.215 53.050 0.192 0.000 1.140 262 N CB -0.193 38.429 38.487 0.225 0.000 1.077 262 N HN -0.107 nan 8.380 nan 0.000 0.390 263 A N -0.617 122.230 122.820 0.045 0.000 2.387 263 A HA 0.366 4.686 4.320 -0.000 0.000 0.234 263 A C 0.683 178.282 177.584 0.025 0.000 1.253 263 A CA 1.038 53.096 52.037 0.036 0.000 0.894 263 A CB -0.503 18.511 19.000 0.024 0.000 0.963 263 A HN 0.588 nan 8.150 nan 0.000 0.508 264 T N -1.510 113.037 114.554 -0.011 0.000 12.724 264 T HA -0.333 4.017 4.350 -0.000 0.000 0.418 264 T C 0.835 175.513 174.700 -0.038 0.000 1.446 264 T CA 1.866 63.929 62.100 -0.062 0.000 2.382 264 T CB -2.350 66.469 68.868 -0.082 0.000 2.829 264 T HN 1.922 nan 8.240 nan 0.000 0.744 265 C N 0.074 119.383 119.300 0.015 0.000 3.312 265 C HA 0.743 5.203 4.460 -0.000 0.000 0.332 265 C C -3.049 171.963 174.990 0.036 0.000 1.340 265 C CA -2.005 57.029 59.018 0.027 0.000 1.265 265 C CB 1.023 28.794 27.740 0.051 0.000 1.563 265 C HN 0.405 nan 8.230 nan 0.000 0.471 266 P HA 0.334 nan 4.420 nan 0.000 0.275 266 P C -0.275 177.012 177.300 -0.022 0.000 1.266 266 P CA -0.312 62.792 63.100 0.007 0.000 0.793 266 P CB 0.390 32.098 31.700 0.013 0.000 1.074 267 V N 0.310 120.167 119.914 -0.095 0.000 2.470 267 V HA 0.036 4.155 4.120 -0.000 0.000 0.276 267 V C 1.005 176.943 176.094 -0.261 0.000 1.040 267 V CA 0.549 62.723 62.300 -0.211 0.000 1.008 267 V CB -0.151 31.454 31.823 -0.363 0.000 0.990 267 V HN 0.616 nan 8.190 nan 0.000 0.477 268 T N 6.822 121.292 114.554 -0.140 0.000 2.597 268 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 268 T C 1.242 175.933 174.700 -0.015 0.000 1.053 268 T CA 2.833 64.918 62.100 -0.024 0.000 1.165 268 T CB -0.599 68.317 68.868 0.079 0.000 0.863 268 T HN 1.017 nan 8.240 nan 0.000 0.427 269 F N 0.870 120.842 119.950 0.037 0.000 2.365 269 F HA 0.208 4.735 4.527 -0.000 0.000 0.300 269 F C 2.020 177.906 175.800 0.144 0.000 1.090 269 F CA 0.222 58.254 58.000 0.053 0.000 1.408 269 F CB -1.046 37.947 39.000 -0.011 0.000 1.060 269 F HN 0.084 nan 8.300 nan 0.000 0.534 270 I N 0.601 120.937 120.570 -0.390 0.000 2.315 270 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 270 I C 2.502 178.637 176.117 0.029 0.000 1.117 270 I CA 1.266 62.550 61.300 -0.027 0.000 1.404 270 I CB -0.570 37.361 38.000 -0.115 0.000 1.071 270 I HN 0.281 nan 8.210 nan 0.000 0.419 271 Q N -0.231 119.552 119.800 -0.028 0.000 2.124 271 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 271 Q C 2.152 178.157 176.000 0.008 0.000 0.977 271 Q CA 1.938 57.720 55.803 -0.036 0.000 0.850 271 Q CB -0.298 28.436 28.738 -0.007 0.000 0.901 271 Q HN 0.568 nan 8.270 nan 0.000 0.429 272 Y N 0.799 121.079 120.300 -0.032 0.000 2.145 272 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 272 Y C 2.219 178.079 175.900 -0.067 0.000 1.145 272 Y CA 1.470 59.555 58.100 -0.026 0.000 1.148 272 Y CB -0.280 38.205 38.460 0.041 0.000 0.981 272 Y HN 0.073 nan 8.280 nan 0.000 0.507 273 A N 0.693 123.620 122.820 0.178 0.000 1.902 273 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 273 A C 2.397 179.861 177.584 -0.201 0.000 1.181 273 A CA 1.845 53.919 52.037 0.061 0.000 0.623 273 A CB -1.519 17.667 19.000 0.311 0.000 0.818 273 A HN 0.640 nan 8.150 nan 0.000 0.443 274 A N -0.150 122.514 122.820 -0.261 0.000 1.933 274 A HA 0.159 4.478 4.320 -0.000 0.000 0.218 274 A C 2.493 179.916 177.584 -0.269 0.000 1.175 274 A CA 2.086 53.861 52.037 -0.437 0.000 0.628 274 A CB -0.973 17.509 19.000 -0.864 0.000 0.814 274 A HN 1.016 nan 8.150 nan 0.000 0.444 275 A N -0.187 122.479 122.820 -0.257 0.000 1.858 275 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 275 A C 2.131 179.541 177.584 -0.291 0.000 1.190 275 A CA 1.793 53.706 52.037 -0.207 0.000 0.617 275 A CB -0.472 18.398 19.000 -0.217 0.000 0.827 275 A HN 0.499 nan 8.150 nan 0.000 0.443 276 K N -0.481 119.588 120.400 -0.552 0.000 2.097 276 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 276 K C 2.201 178.439 176.600 -0.603 0.000 1.049 276 K CA 1.056 56.878 56.287 -0.776 0.000 0.933 276 K CB -0.278 31.339 32.500 -1.472 0.000 0.717 276 K HN 0.461 nan 8.250 nan 0.000 0.442 277 A N 1.112 123.671 122.820 -0.434 0.000 1.968 277 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 277 A C 1.998 179.530 177.584 -0.086 0.000 1.169 277 A CA 0.929 52.826 52.037 -0.234 0.000 0.638 277 A CB -0.399 18.361 19.000 -0.401 0.000 0.812 277 A HN 0.160 nan 8.150 nan 0.000 0.446 278 L N -1.308 119.981 121.223 0.110 0.000 2.201 278 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 278 L C 1.826 178.928 176.870 0.387 0.000 1.105 278 L CA 1.106 56.167 54.840 0.369 0.000 0.775 278 L CB -0.158 42.110 42.059 0.348 0.000 0.913 278 L HN 0.165 nan 8.230 nan 0.000 0.440 279 K N -0.793 119.701 120.400 0.157 0.000 2.404 279 K HA 0.058 4.378 4.320 -0.000 0.000 0.194 279 K C -0.009 176.670 176.600 0.131 0.000 1.023 279 K CA 0.114 56.476 56.287 0.124 0.000 1.094 279 K CB -0.075 32.429 32.500 0.006 0.000 0.841 279 K HN 0.016 nan 8.250 nan 0.000 0.523 280 D N 0.165 120.644 120.400 0.131 0.000 2.192 280 D HA 0.014 4.654 4.640 -0.000 0.000 0.246 280 D C 0.518 176.879 176.300 0.102 0.000 1.042 280 D CA -0.116 53.946 54.000 0.103 0.000 0.847 280 D CB 1.454 42.351 40.800 0.161 0.000 1.186 280 D HN 0.013 nan 8.370 nan 0.000 0.461 281 E N 3.223 123.471 120.200 0.079 0.000 2.085 281 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 281 E C 1.248 177.839 176.600 -0.015 0.000 0.994 281 E CA 0.981 57.435 56.400 0.091 0.000 0.801 281 E CB 0.267 29.991 29.700 0.040 0.000 0.743 281 E HN 0.416 nan 8.360 nan 0.000 0.453 282 R N 0.124 120.501 120.500 -0.205 0.000 2.200 282 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 282 R C 2.574 178.689 176.300 -0.308 0.000 1.127 282 R CA 1.273 57.144 56.100 -0.382 0.000 0.989 282 R CB -0.119 29.678 30.300 -0.838 0.000 0.869 282 R HN 0.050 nan 8.270 nan 0.000 0.459 283 S N -0.527 115.012 115.700 -0.269 0.000 2.357 283 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 283 S C 1.352 175.675 174.600 -0.463 0.000 1.031 283 S CA 1.001 58.924 58.200 -0.462 0.000 0.982 283 S CB -0.214 62.435 63.200 -0.919 0.000 0.853 283 S HN 0.458 nan 8.310 nan 0.000 0.458 284 W N 1.688 123.012 121.300 0.039 0.000 2.584 284 W HA 0.145 4.805 4.660 -0.000 0.000 0.264 284 W C 2.384 178.899 176.519 -0.006 0.000 1.264 284 W CA 0.093 57.449 57.345 0.017 0.000 1.306 284 W CB 0.020 29.480 29.460 -0.001 0.000 1.110 284 W HN 0.190 nan 8.180 nan 0.000 0.606 285 K N 0.848 121.323 120.400 0.124 0.000 2.031 285 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 285 K C 2.261 178.873 176.600 0.019 0.000 1.049 285 K CA 1.572 57.891 56.287 0.054 0.000 0.939 285 K CB -0.416 32.081 32.500 -0.005 0.000 0.717 285 K HN 0.007 nan 8.250 nan 0.000 0.438 286 A N 0.320 123.128 122.820 -0.021 0.000 1.908 286 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 286 A C 2.237 179.817 177.584 -0.007 0.000 1.181 286 A CA 1.828 53.841 52.037 -0.040 0.000 0.627 286 A CB -0.812 18.157 19.000 -0.051 0.000 0.818 286 A HN 0.149 nan 8.150 nan 0.000 0.445 287 V N 0.073 120.029 119.914 0.071 0.000 2.332 287 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 287 V C 2.653 178.865 176.094 0.197 0.000 1.055 287 V CA 2.190 64.595 62.300 0.174 0.000 1.038 287 V CB -0.654 31.251 31.823 0.136 0.000 0.651 287 V HN 0.560 nan 8.190 nan 0.000 0.450 288 E N -0.167 120.118 120.200 0.142 0.000 2.106 288 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 288 E C 2.253 178.907 176.600 0.090 0.000 0.984 288 E CA 1.035 57.516 56.400 0.136 0.000 0.806 288 E CB 0.010 29.771 29.700 0.102 0.000 0.750 288 E HN 0.561 nan 8.360 nan 0.000 0.458 289 E N 0.103 120.311 120.200 0.014 0.000 2.051 289 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 289 E C 2.152 178.650 176.600 -0.170 0.000 0.991 289 E CA 1.103 57.463 56.400 -0.066 0.000 0.799 289 E CB -0.217 29.420 29.700 -0.106 0.000 0.748 289 E HN 0.281 nan 8.360 nan 0.000 0.449 290 M N -0.397 119.035 119.600 -0.281 0.000 2.099 290 M HA -0.120 4.359 4.480 -0.000 0.000 0.262 290 M C 2.409 178.602 176.300 -0.178 0.000 1.067 290 M CA 1.414 56.348 55.300 -0.609 0.000 1.124 290 M CB -0.300 31.944 32.600 -0.593 0.000 1.353 290 M HN 0.009 nan 8.290 nan 0.000 0.410 291 R N 1.135 121.832 120.500 0.329 0.000 2.091 291 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 291 R C 1.935 178.481 176.300 0.411 0.000 1.136 291 R CA 1.829 58.303 56.100 0.623 0.000 0.959 291 R CB -0.096 30.570 30.300 0.609 0.000 0.856 291 R HN 0.266 nan 8.270 nan 0.000 0.437 292 K N 0.029 120.555 120.400 0.210 0.000 2.057 292 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 292 K C 2.055 178.713 176.600 0.098 0.000 1.049 292 K CA 1.719 58.090 56.287 0.140 0.000 0.931 292 K CB -0.091 32.454 32.500 0.075 0.000 0.714 292 K HN 0.101 nan 8.250 nan 0.000 0.440 293 E N 0.146 120.371 120.200 0.042 0.000 2.072 293 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 293 E C 1.560 178.241 176.600 0.135 0.000 0.985 293 E CA 1.530 57.962 56.400 0.054 0.000 0.801 293 E CB -0.271 29.459 29.700 0.051 0.000 0.750 293 E HN 0.412 nan 8.360 nan 0.000 0.452 294 Y N 0.099 120.538 120.300 0.232 0.000 2.207 294 Y HA -0.197 4.353 4.550 -0.000 0.000 0.287 294 Y C 2.193 178.074 175.900 -0.031 0.000 1.156 294 Y CA 0.942 59.192 58.100 0.249 0.000 1.182 294 Y CB -0.099 38.611 38.460 0.418 0.000 0.979 294 Y HN 0.174 nan 8.280 nan 0.000 0.521 295 D N 0.314 120.755 120.400 0.067 0.000 2.117 295 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 295 D C 2.197 178.411 176.300 -0.143 0.000 0.982 295 D CA 1.065 54.915 54.000 -0.249 0.000 0.828 295 D CB -0.164 40.597 40.800 -0.066 0.000 0.967 295 D HN 0.142 nan 8.370 nan 0.000 0.464 296 R N -0.023 120.475 120.500 -0.004 0.000 2.091 296 R HA -0.078 4.262 4.340 -0.000 0.000 0.238 296 R C 2.386 178.764 176.300 0.129 0.000 1.136 296 R CA 1.267 57.400 56.100 0.055 0.000 0.959 296 R CB 0.027 30.353 30.300 0.044 0.000 0.856 296 R HN 0.112 nan 8.270 nan 0.000 0.437 297 R N -0.285 120.272 120.500 0.095 0.000 2.092 297 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 297 R C 2.509 178.610 176.300 -0.331 0.000 1.119 297 R CA 1.469 57.572 56.100 0.005 0.000 0.970 297 R CB -0.372 29.979 30.300 0.085 0.000 0.864 297 R HN 0.229 nan 8.270 nan 0.000 0.440 298 R N 1.710 121.817 120.500 -0.655 0.000 2.096 298 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 298 R C 1.586 177.721 176.300 -0.276 0.000 1.127 298 R CA 1.613 57.195 56.100 -0.864 0.000 0.968 298 R CB 0.023 29.735 30.300 -0.980 0.000 0.861 298 R HN 0.111 nan 8.270 nan 0.000 0.440 299 K N 0.470 120.788 120.400 -0.138 0.000 2.057 299 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 299 K C 2.115 178.786 176.600 0.117 0.000 1.049 299 K CA 1.405 57.730 56.287 0.063 0.000 0.931 299 K CB -0.302 32.231 32.500 0.055 0.000 0.714 299 K HN 0.092 nan 8.250 nan 0.000 0.440 300 L N 1.184 122.425 121.223 0.030 0.000 1.955 300 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 300 L C 2.183 179.028 176.870 -0.042 0.000 1.072 300 L CA 1.769 56.592 54.840 -0.030 0.000 0.755 300 L CB -0.751 41.184 42.059 -0.207 0.000 0.888 300 L HN 0.114 nan 8.230 nan 0.000 0.432 301 V N -2.823 117.052 119.914 -0.066 0.000 2.407 301 V HA -0.248 3.871 4.120 -0.000 0.000 0.248 301 V C 2.263 178.397 176.094 0.067 0.000 1.055 301 V CA 1.661 63.954 62.300 -0.012 0.000 1.049 301 V CB -1.905 29.927 31.823 0.016 0.000 0.662 301 V HN 0.765 nan 8.190 nan 0.000 0.455 302 W N 1.953 123.221 121.300 -0.054 0.000 2.338 302 W HA -0.158 4.502 4.660 -0.000 0.000 0.304 302 W C 2.553 179.073 176.519 0.001 0.000 1.212 302 W CA 2.629 59.970 57.345 -0.007 0.000 1.264 302 W CB -0.152 29.299 29.460 -0.014 0.000 1.142 302 W HN 0.305 nan 8.180 nan 0.000 0.512 303 K N 0.193 120.475 120.400 -0.196 0.000 2.001 303 K HA -0.191 4.128 4.320 -0.000 0.000 0.208 303 K C 2.229 178.662 176.600 -0.278 0.000 1.048 303 K CA 1.391 57.450 56.287 -0.380 0.000 0.932 303 K CB -0.456 31.989 32.500 -0.092 0.000 0.715 303 K HN 0.000 nan 8.250 nan 0.000 0.437 304 R N 0.458 120.870 120.500 -0.146 0.000 2.081 304 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 304 R C 2.353 178.587 176.300 -0.110 0.000 1.131 304 R CA 0.884 56.920 56.100 -0.106 0.000 0.960 304 R CB -0.662 29.595 30.300 -0.072 0.000 0.856 304 R HN 0.236 nan 8.270 nan 0.000 0.436 305 L N 1.040 122.197 121.223 -0.110 0.000 2.056 305 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 305 L C 1.726 178.518 176.870 -0.130 0.000 1.078 305 L CA 1.655 56.447 54.840 -0.078 0.000 0.749 305 L CB -1.093 40.953 42.059 -0.023 0.000 0.901 305 L HN 0.150 nan 8.230 nan 0.000 0.433 306 N N -0.381 118.164 118.700 -0.259 0.000 2.106 306 N HA -0.211 4.529 4.740 -0.000 0.000 0.188 306 N C 1.682 177.084 175.510 -0.179 0.000 1.029 306 N CA 1.379 54.278 53.050 -0.252 0.000 0.848 306 N CB -0.028 38.198 38.487 -0.435 0.000 1.007 306 N HN 0.574 nan 8.380 nan 0.000 0.423 307 E N 0.595 120.682 120.200 -0.188 0.000 2.208 307 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 307 E C 1.826 178.379 176.600 -0.079 0.000 0.988 307 E CA 0.659 56.984 56.400 -0.124 0.000 0.828 307 E CB -0.245 29.383 29.700 -0.119 0.000 0.763 307 E HN 0.358 nan 8.360 nan 0.000 0.478 308 M N 0.646 120.203 119.600 -0.071 0.000 2.632 308 M HA 0.025 4.505 4.480 -0.000 0.000 0.256 308 M C 0.907 177.191 176.300 -0.026 0.000 1.080 308 M CA 1.713 56.990 55.300 -0.038 0.000 1.084 308 M CB -0.033 32.552 32.600 -0.026 0.000 1.439 308 M HN 0.435 nan 8.290 nan 0.000 0.509 309 G N 0.975 109.751 108.800 -0.040 0.000 2.168 309 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.197 309 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.197 309 G C -0.209 174.674 174.900 -0.028 0.000 0.997 309 G CA -0.185 44.898 45.100 -0.028 0.000 0.658 309 G HN 0.436 nan 8.290 nan 0.000 0.513 310 L N 1.753 122.954 121.223 -0.036 0.000 2.283 310 L HA 0.397 4.737 4.340 -0.000 0.000 0.281 310 L C -2.300 174.549 176.870 -0.035 0.000 1.033 310 L CA -2.155 52.658 54.840 -0.045 0.000 0.848 310 L CB 1.658 43.690 42.059 -0.045 0.000 1.226 310 L HN -0.154 nan 8.230 nan 0.000 0.429 311 P HA 0.069 nan 4.420 nan 0.000 0.265 311 P C -0.688 176.675 177.300 0.104 0.000 1.222 311 P CA 0.235 63.354 63.100 0.031 0.000 0.767 311 P CB 0.606 32.330 31.700 0.040 0.000 0.801 312 T N 2.798 117.435 114.554 0.139 0.000 2.841 312 T HA 0.361 4.710 4.350 -0.000 0.000 0.285 312 T C 0.074 175.034 174.700 0.432 0.000 0.991 312 T CA -0.637 61.623 62.100 0.268 0.000 0.966 312 T CB 0.931 69.922 68.868 0.206 0.000 0.962 312 T HN 0.191 nan 8.240 nan 0.000 0.438 313 V N 1.577 121.749 119.914 0.429 0.000 2.715 313 V HA 0.456 4.576 4.120 -0.000 0.000 0.299 313 V C 0.476 176.773 176.094 0.338 0.000 1.054 313 V CA -0.777 61.752 62.300 0.383 0.000 1.077 313 V CB 0.395 32.416 31.823 0.330 0.000 0.972 313 V HN 0.813 nan 8.190 nan 0.000 0.484 314 K N 6.533 126.982 120.400 0.081 0.000 2.378 314 K HA 0.330 4.650 4.320 -0.000 0.000 0.288 314 K C -2.177 174.376 176.600 -0.078 0.000 1.057 314 K CA -1.494 54.571 56.287 -0.371 0.000 0.971 314 K CB 0.620 32.578 32.500 -0.904 0.000 0.975 314 K HN 0.746 nan 8.250 nan 0.000 0.475 315 P HA 0.128 nan 4.420 nan 0.000 0.278 315 P C -0.843 176.545 177.300 0.145 0.000 1.238 315 P CA -0.293 62.880 63.100 0.122 0.000 0.794 315 P CB 1.285 33.100 31.700 0.191 0.000 0.955 316 K N 0.472 120.956 120.400 0.140 0.000 2.358 316 K HA 0.368 4.688 4.320 -0.000 0.000 0.200 316 K C 0.828 177.510 176.600 0.136 0.000 1.030 316 K CA -0.003 56.390 56.287 0.178 0.000 1.097 316 K CB 0.660 33.203 32.500 0.071 0.000 0.862 316 K HN 0.694 nan 8.250 nan 0.000 0.534 317 G N -0.762 108.102 108.800 0.107 0.000 2.649 317 G HA2 0.620 4.579 3.960 -0.000 0.000 0.290 317 G HA3 0.620 4.579 3.960 -0.000 0.000 0.290 317 G C -0.937 173.936 174.900 -0.046 0.000 1.426 317 G CA -0.302 44.743 45.100 -0.093 0.000 0.794 317 G HN 0.145 nan 8.290 nan 0.000 0.483 318 A N -1.128 121.591 122.820 -0.168 0.000 5.953 318 A HA 0.138 4.458 4.320 -0.000 0.000 0.267 318 A C 0.229 177.484 177.584 -0.548 0.000 2.116 318 A CA 1.671 53.360 52.037 -0.580 0.000 0.711 318 A CB -1.599 16.779 19.000 -1.038 0.000 1.100 318 A HN 2.281 nan 8.150 nan 0.000 0.364 319 F N -3.246 116.047 119.950 -1.095 0.000 2.623 319 F HA 0.731 5.258 4.527 -0.000 0.000 0.361 319 F C -0.471 174.139 175.800 -1.983 0.000 1.469 319 F CA -0.741 56.263 58.000 -1.659 0.000 1.126 319 F CB 0.089 38.063 39.000 -1.711 0.000 1.221 319 F HN 0.478 nan 8.300 nan 0.000 0.536 320 Y N 1.258 121.170 120.300 -0.646 0.000 2.512 320 Y HA 0.708 5.258 4.550 -0.000 0.000 0.348 320 Y C -0.689 175.202 175.900 -0.015 0.000 0.990 320 Y CA -1.854 56.054 58.100 -0.320 0.000 1.033 320 Y CB 2.445 40.698 38.460 -0.345 0.000 1.259 320 Y HN 0.287 nan 8.280 nan 0.000 0.461 321 I N 1.887 122.634 120.570 0.295 0.000 2.730 321 I HA 0.482 4.652 4.170 -0.000 0.000 0.298 321 I C -1.771 174.534 176.117 0.312 0.000 1.089 321 I CA -0.929 60.561 61.300 0.316 0.000 1.041 321 I CB 1.938 40.168 38.000 0.383 0.000 1.235 321 I HN 0.694 nan 8.210 nan 0.000 0.423 322 F N 8.382 128.364 119.950 0.053 0.000 2.523 322 F HA 0.485 5.012 4.527 -0.000 0.000 0.322 322 F C -2.119 173.776 175.800 0.158 0.000 1.361 322 F CA -2.108 55.885 58.000 -0.012 0.000 1.151 322 F CB 0.695 39.503 39.000 -0.320 0.000 1.391 322 F HN 0.220 nan 8.300 nan 0.000 0.566 323 P HA -0.106 nan 4.420 nan 0.000 0.265 323 P C -0.494 176.807 177.300 0.002 0.000 1.187 323 P CA -0.021 63.120 63.100 0.069 0.000 0.766 323 P CB 0.740 32.431 31.700 -0.015 0.000 0.820 324 R N 2.865 123.380 120.500 0.024 0.000 2.316 324 R HA 0.180 4.519 4.340 -0.000 0.000 0.314 324 R C 0.660 176.742 176.300 -0.363 0.000 1.069 324 R CA -0.219 55.726 56.100 -0.259 0.000 0.959 324 R CB 0.061 30.286 30.300 -0.125 0.000 0.987 324 R HN 0.405 nan 8.270 nan 0.000 0.446 325 I N 4.598 124.847 120.570 -0.535 0.000 3.790 325 I HA -0.021 4.149 4.170 -0.000 0.000 0.305 325 I C 2.147 178.062 176.117 -0.338 0.000 1.253 325 I CA 0.220 61.195 61.300 -0.542 0.000 1.355 325 I CB 0.027 37.548 38.000 -0.800 0.000 1.137 325 I HN 0.636 nan 8.210 nan 0.000 0.435 326 R N 0.086 120.385 120.500 -0.335 0.000 2.249 326 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 326 R C 0.707 176.934 176.300 -0.123 0.000 1.121 326 R CA 1.507 57.486 56.100 -0.201 0.000 0.997 326 R CB -0.716 29.466 30.300 -0.198 0.000 0.867 326 R HN 0.224 nan 8.270 nan 0.000 0.465 327 D N 1.126 121.455 120.400 -0.119 0.000 2.363 327 D HA -0.067 4.573 4.640 -0.000 0.000 0.220 327 D C 1.468 177.747 176.300 -0.035 0.000 0.994 327 D CA 1.487 55.449 54.000 -0.064 0.000 0.890 327 D CB 0.193 40.960 40.800 -0.055 0.000 0.906 327 D HN 0.493 nan 8.370 nan 0.000 0.530 328 T N -2.850 111.688 114.554 -0.026 0.000 3.072 328 T HA 0.120 4.470 4.350 -0.000 0.000 0.266 328 T C 1.794 176.509 174.700 0.026 0.000 1.127 328 T CA 0.998 63.115 62.100 0.028 0.000 1.107 328 T CB 0.052 68.988 68.868 0.113 0.000 0.910 328 T HN 0.202 nan 8.240 nan 0.000 0.513 329 G N 0.375 109.177 108.800 0.004 0.000 2.176 329 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.253 329 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.253 329 G C -0.212 174.699 174.900 0.018 0.000 0.979 329 G CA 0.112 45.216 45.100 0.006 0.000 0.641 329 G HN 0.548 nan 8.290 nan 0.000 0.530 330 L N 1.531 122.778 121.223 0.040 0.000 2.387 330 L HA 0.741 5.081 4.340 -0.000 0.000 0.266 330 L C 1.405 178.295 176.870 0.033 0.000 1.059 330 L CA -0.020 54.857 54.840 0.061 0.000 0.801 330 L CB 1.265 43.410 42.059 0.144 0.000 1.223 330 L HN 0.400 nan 8.230 nan 0.000 0.456 331 T N -2.358 112.221 114.554 0.040 0.000 2.899 331 T HA 0.233 4.583 4.350 -0.000 0.000 0.284 331 T C 1.233 175.958 174.700 0.043 0.000 1.004 331 T CA -0.332 61.781 62.100 0.022 0.000 1.043 331 T CB 0.718 69.600 68.868 0.024 0.000 1.013 331 T HN 0.458 nan 8.240 nan 0.000 0.518 332 S N 1.038 116.745 115.700 0.011 0.000 2.387 332 S HA -0.155 4.315 4.470 -0.000 0.000 0.230 332 S C 1.951 176.603 174.600 0.087 0.000 1.035 332 S CA 1.382 59.596 58.200 0.024 0.000 1.014 332 S CB -0.341 62.866 63.200 0.012 0.000 0.836 332 S HN 0.760 nan 8.310 nan 0.000 0.466 333 K N 0.749 121.186 120.400 0.061 0.000 2.076 333 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 333 K C 2.090 178.728 176.600 0.063 0.000 1.051 333 K CA 0.791 57.110 56.287 0.052 0.000 0.949 333 K CB -0.164 32.350 32.500 0.023 0.000 0.726 333 K HN 0.039 nan 8.250 nan 0.000 0.443 334 K N 1.108 121.548 120.400 0.067 0.000 2.097 334 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 334 K C 1.736 178.379 176.600 0.072 0.000 1.050 334 K CA 0.828 57.147 56.287 0.054 0.000 0.938 334 K CB -0.395 32.131 32.500 0.045 0.000 0.718 334 K HN 0.077 nan 8.250 nan 0.000 0.442 335 F N 0.883 120.820 119.950 -0.023 0.000 2.102 335 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 335 F C 1.997 177.788 175.800 -0.016 0.000 1.105 335 F CA 2.055 60.040 58.000 -0.024 0.000 1.239 335 F CB -0.454 38.524 39.000 -0.036 0.000 0.991 335 F HN 0.108 nan 8.300 nan 0.000 0.474 336 S N -0.482 115.336 115.700 0.197 0.000 2.406 336 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 336 S C 1.983 176.569 174.600 -0.023 0.000 1.020 336 S CA 1.007 59.259 58.200 0.087 0.000 0.965 336 S CB -0.758 62.525 63.200 0.138 0.000 0.798 336 S HN 0.682 nan 8.310 nan 0.000 0.488 337 E N 1.641 121.831 120.200 -0.017 0.000 2.051 337 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 337 E C 2.064 178.617 176.600 -0.079 0.000 0.991 337 E CA 1.132 57.511 56.400 -0.034 0.000 0.799 337 E CB -0.277 29.412 29.700 -0.018 0.000 0.748 337 E HN 0.546 nan 8.360 nan 0.000 0.449 338 L N 0.255 121.402 121.223 -0.127 0.000 1.989 338 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 338 L C 2.572 179.312 176.870 -0.218 0.000 1.071 338 L CA 1.384 56.117 54.840 -0.179 0.000 0.749 338 L CB -0.224 41.684 42.059 -0.251 0.000 0.890 338 L HN 0.335 nan 8.230 nan 0.000 0.431 339 M N -1.028 118.386 119.600 -0.310 0.000 2.229 339 M HA -0.177 4.302 4.480 -0.000 0.000 0.264 339 M C 2.166 178.391 176.300 -0.124 0.000 1.063 339 M CA 1.273 56.419 55.300 -0.256 0.000 1.114 339 M CB -1.192 31.227 32.600 -0.302 0.000 1.387 339 M HN 0.291 nan 8.290 nan 0.000 0.420 340 L N 0.407 121.578 121.223 -0.086 0.000 2.027 340 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 340 L C 2.247 179.089 176.870 -0.047 0.000 1.074 340 L CA 1.986 56.799 54.840 -0.045 0.000 0.745 340 L CB -0.484 41.559 42.059 -0.027 0.000 0.898 340 L HN 0.052 nan 8.230 nan 0.000 0.433 341 K N -0.969 119.398 120.400 -0.056 0.000 2.334 341 K HA 0.043 4.362 4.320 -0.000 0.000 0.195 341 K C 1.953 178.522 176.600 -0.052 0.000 1.045 341 K CA 0.714 56.974 56.287 -0.046 0.000 1.004 341 K CB 0.335 32.812 32.500 -0.039 0.000 0.837 341 K HN 0.251 nan 8.250 nan 0.000 0.510 342 E N -0.685 119.472 120.200 -0.072 0.000 2.086 342 E HA 0.143 4.492 4.350 -0.000 0.000 0.190 342 E C 1.245 177.805 176.600 -0.066 0.000 0.975 342 E CA 1.138 57.495 56.400 -0.071 0.000 0.813 342 E CB 0.150 29.795 29.700 -0.092 0.000 0.768 342 E HN 0.266 nan 8.360 nan 0.000 0.457 343 A N -0.287 122.487 122.820 -0.077 0.000 2.267 343 A HA 0.208 4.528 4.320 -0.000 0.000 0.213 343 A C 0.296 177.855 177.584 -0.041 0.000 1.192 343 A CA 0.173 52.174 52.037 -0.060 0.000 0.851 343 A CB -0.095 18.863 19.000 -0.071 0.000 0.881 343 A HN 0.183 nan 8.150 nan 0.000 0.494 344 R N -1.473 119.004 120.500 -0.039 0.000 3.416 344 R HA -0.141 4.199 4.340 -0.000 0.000 0.263 344 R C -0.324 175.966 176.300 -0.016 0.000 1.053 344 R CA 0.754 56.840 56.100 -0.024 0.000 0.705 344 R CB -2.563 27.726 30.300 -0.018 0.000 1.124 344 R HN 0.914 nan 8.270 nan 0.000 0.444 345 V N -3.137 116.767 119.914 -0.018 0.000 2.656 345 V HA 0.919 5.039 4.120 -0.000 0.000 0.307 345 V C -0.177 175.925 176.094 0.014 0.000 1.051 345 V CA -0.459 61.843 62.300 0.003 0.000 0.893 345 V CB 2.322 34.152 31.823 0.012 0.000 0.999 345 V HN 0.217 nan 8.190 nan 0.000 0.426 346 A N 5.225 128.066 122.820 0.034 0.000 2.249 346 A HA 0.847 5.167 4.320 -0.000 0.000 0.314 346 A C -0.104 177.530 177.584 0.084 0.000 1.290 346 A CA -0.086 51.980 52.037 0.049 0.000 0.893 346 A CB 0.782 19.809 19.000 0.044 0.000 1.165 346 A HN 2.179 nan 8.150 nan 0.000 0.530 347 V N 1.155 121.135 119.914 0.109 0.000 2.919 347 V HA 0.868 4.988 4.120 -0.000 0.000 0.316 347 V C -0.012 176.174 176.094 0.154 0.000 1.077 347 V CA -0.828 61.564 62.300 0.153 0.000 0.977 347 V CB 1.316 33.260 31.823 0.202 0.000 1.039 347 V HN 1.233 nan 8.190 nan 0.000 0.441 348 V N 2.555 122.580 119.914 0.186 0.000 2.435 348 V HA 0.712 4.832 4.120 -0.000 0.000 0.290 348 V C -2.543 173.667 176.094 0.194 0.000 1.030 348 V CA -2.307 60.099 62.300 0.177 0.000 0.881 348 V CB 1.530 33.477 31.823 0.207 0.000 0.983 348 V HN 0.976 nan 8.190 nan 0.000 0.445 349 P HA 0.201 nan 4.420 nan 0.000 0.266 349 P C 0.894 178.288 177.300 0.157 0.000 1.195 349 P CA 0.453 63.610 63.100 0.095 0.000 0.768 349 P CB 0.838 32.566 31.700 0.048 0.000 0.838 350 G N 1.817 110.705 108.800 0.147 0.000 2.443 350 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 350 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 350 G C 1.330 176.427 174.900 0.327 0.000 1.131 350 G CA 0.708 46.007 45.100 0.331 0.000 0.775 350 G HN 0.563 nan 8.290 nan 0.000 0.547 351 S N 0.821 116.605 115.700 0.140 0.000 2.500 351 S HA 0.167 4.637 4.470 -0.000 0.000 0.239 351 S C 2.282 176.859 174.600 -0.039 0.000 0.989 351 S CA 1.031 59.272 58.200 0.069 0.000 0.951 351 S CB -0.143 63.077 63.200 0.033 0.000 0.759 351 S HN 0.520 nan 8.310 nan 0.000 0.523 352 A N 0.337 123.051 122.820 -0.176 0.000 2.209 352 A HA 0.344 4.664 4.320 -0.000 0.000 0.212 352 A C 0.996 178.207 177.584 -0.621 0.000 1.158 352 A CA 0.342 52.104 52.037 -0.458 0.000 0.742 352 A CB -0.595 17.979 19.000 -0.710 0.000 0.790 352 A HN 0.555 nan 8.150 nan 0.000 0.472 353 F N -0.456 119.480 119.950 -0.024 0.000 2.668 353 F HA 0.484 5.011 4.527 -0.000 0.000 0.301 353 F C 1.149 176.910 175.800 -0.066 0.000 1.106 353 F CA 0.249 58.203 58.000 -0.076 0.000 1.289 353 F CB 0.277 39.222 39.000 -0.090 0.000 1.006 353 F HN 0.333 nan 8.300 nan 0.000 0.535 354 G N 0.269 109.101 108.800 0.053 0.000 2.497 354 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 354 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 354 G C 0.233 175.168 174.900 0.059 0.000 1.288 354 G CA -0.962 44.156 45.100 0.031 0.000 0.899 354 G HN -0.117 nan 8.290 nan 0.000 0.608 355 K N 0.099 120.519 120.400 0.034 0.000 2.366 355 K HA 0.272 4.592 4.320 -0.000 0.000 0.198 355 K C 2.561 179.210 176.600 0.081 0.000 1.044 355 K CA 1.448 57.767 56.287 0.054 0.000 0.973 355 K CB -0.427 32.095 32.500 0.036 0.000 0.767 355 K HN 0.977 nan 8.250 nan 0.000 0.475 356 A N 0.535 123.388 122.820 0.056 0.000 2.239 356 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 356 A C 2.011 179.716 177.584 0.201 0.000 1.171 356 A CA 1.217 53.295 52.037 0.069 0.000 0.768 356 A CB -0.517 18.442 19.000 -0.069 0.000 0.790 356 A HN 0.297 nan 8.150 nan 0.000 0.478 357 G N -0.693 108.253 108.800 0.244 0.000 2.777 357 G HA2 0.130 4.090 3.960 -0.000 0.000 0.211 357 G HA3 0.130 4.090 3.960 -0.000 0.000 0.211 357 G C 0.540 175.683 174.900 0.405 0.000 1.149 357 G CA 0.288 45.648 45.100 0.433 0.000 0.785 357 G HN 0.500 nan 8.290 nan 0.000 0.536 358 E N 0.298 120.658 120.200 0.265 0.000 2.414 358 E HA 0.391 4.741 4.350 -0.000 0.000 0.263 358 E C 1.272 177.950 176.600 0.129 0.000 1.000 358 E CA 0.977 57.472 56.400 0.158 0.000 0.914 358 E CB 0.267 30.027 29.700 0.101 0.000 0.948 358 E HN 0.382 nan 8.360 nan 0.000 0.444 359 G N 2.614 111.378 108.800 -0.060 0.000 2.176 359 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.232 359 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.232 359 G C -0.413 174.061 174.900 -0.710 0.000 0.986 359 G CA 0.236 45.133 45.100 -0.338 0.000 0.643 359 G HN 0.446 nan 8.290 nan 0.000 0.522 360 Y N -1.777 118.362 120.300 -0.267 0.000 2.669 360 Y HA 0.768 5.318 4.550 -0.000 0.000 0.335 360 Y C -0.037 175.499 175.900 -0.607 0.000 1.116 360 Y CA -1.246 56.509 58.100 -0.575 0.000 1.081 360 Y CB 2.166 39.962 38.460 -1.106 0.000 1.297 360 Y HN 0.178 nan 8.280 nan 0.000 0.484 361 V N 1.449 121.036 119.914 -0.546 0.000 2.808 361 V HA 0.445 4.565 4.120 -0.000 0.000 0.308 361 V C -0.978 175.005 176.094 -0.185 0.000 1.099 361 V CA -0.985 61.158 62.300 -0.262 0.000 0.920 361 V CB 2.175 33.875 31.823 -0.205 0.000 1.014 361 V HN 0.696 nan 8.190 nan 0.000 0.425 362 R N 4.734 125.316 120.500 0.137 0.000 2.297 362 R HA 0.635 4.975 4.340 -0.000 0.000 0.308 362 R C -1.196 175.238 176.300 0.222 0.000 1.029 362 R CA -0.346 55.914 56.100 0.267 0.000 0.929 362 R CB 0.890 31.315 30.300 0.208 0.000 1.046 362 R HN 0.675 nan 8.270 nan 0.000 0.461 363 I N 2.204 122.911 120.570 0.230 0.000 2.493 363 I HA 0.162 4.332 4.170 -0.000 0.000 0.298 363 I C -0.127 176.142 176.117 0.254 0.000 0.998 363 I CA -0.439 60.992 61.300 0.219 0.000 1.137 363 I CB 2.138 40.256 38.000 0.197 0.000 1.310 363 I HN 0.569 nan 8.210 nan 0.000 0.445 364 S N 5.144 120.971 115.700 0.211 0.000 2.451 364 S HA 0.382 4.851 4.470 -0.000 0.000 0.301 364 S C -0.280 174.337 174.600 0.028 0.000 1.116 364 S CA -0.550 57.703 58.200 0.089 0.000 1.093 364 S CB 0.634 63.944 63.200 0.183 0.000 1.017 364 S HN 0.507 nan 8.310 nan 0.000 0.482 365 Y N 2.412 122.699 120.300 -0.023 0.000 2.756 365 Y HA 0.681 5.230 4.550 -0.000 0.000 0.300 365 Y C 0.593 176.444 175.900 -0.082 0.000 1.113 365 Y CA -0.798 57.286 58.100 -0.027 0.000 1.291 365 Y CB -0.407 38.060 38.460 0.011 0.000 1.175 365 Y HN 0.651 nan 8.280 nan 0.000 0.534 366 A N 1.028 123.713 122.820 -0.226 0.000 3.258 366 A HA 0.457 4.777 4.320 -0.000 0.000 0.275 366 A C 0.306 177.760 177.584 -0.217 0.000 1.452 366 A CA 0.080 51.907 52.037 -0.349 0.000 1.120 366 A CB -0.506 17.976 19.000 -0.864 0.000 1.107 366 A HN 0.459 nan 8.150 nan 0.000 0.651 367 T N -0.782 113.710 114.554 -0.103 0.000 2.841 367 T HA 0.623 4.973 4.350 -0.000 0.000 0.296 367 T C -0.106 174.554 174.700 -0.067 0.000 1.166 367 T CA 0.140 62.181 62.100 -0.098 0.000 1.007 367 T CB 1.322 70.165 68.868 -0.041 0.000 1.253 367 T HN 0.972 nan 8.240 nan 0.000 0.511 368 A N 1.827 124.611 122.820 -0.059 0.000 2.498 368 A HA 0.317 4.637 4.320 -0.000 0.000 0.239 368 A C 0.916 178.542 177.584 0.070 0.000 1.068 368 A CA -0.014 52.020 52.037 -0.004 0.000 0.766 368 A CB -0.511 18.490 19.000 0.001 0.000 1.003 368 A HN 1.022 nan 8.150 nan 0.000 0.497 369 Y N 1.383 121.674 120.300 -0.016 0.000 2.096 369 Y HA -0.353 4.197 4.550 -0.000 0.000 0.276 369 Y C 2.088 177.988 175.900 0.001 0.000 1.209 369 Y CA 2.912 61.011 58.100 -0.001 0.000 1.137 369 Y CB 0.004 38.465 38.460 0.000 0.000 0.956 369 Y HN 0.867 nan 8.280 nan 0.000 0.506 370 E N 0.243 120.554 120.200 0.185 0.000 2.058 370 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 370 E C 2.084 178.689 176.600 0.008 0.000 0.997 370 E CA 1.882 58.341 56.400 0.098 0.000 0.801 370 E CB -0.233 29.520 29.700 0.088 0.000 0.746 370 E HN 0.491 nan 8.360 nan 0.000 0.450 371 K N 0.057 120.458 120.400 0.002 0.000 2.148 371 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 371 K C 2.267 178.845 176.600 -0.037 0.000 1.050 371 K CA 0.686 56.966 56.287 -0.013 0.000 0.942 371 K CB -0.166 32.330 32.500 -0.007 0.000 0.724 371 K HN 0.115 nan 8.250 nan 0.000 0.446 372 L N 1.462 122.643 121.223 -0.069 0.000 2.017 372 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 372 L C 2.291 179.083 176.870 -0.129 0.000 1.073 372 L CA 1.473 56.255 54.840 -0.096 0.000 0.745 372 L CB -0.417 41.551 42.059 -0.152 0.000 0.894 372 L HN 0.238 nan 8.230 nan 0.000 0.432 373 E N -0.523 119.563 120.200 -0.189 0.000 2.077 373 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 373 E C 2.067 178.625 176.600 -0.070 0.000 0.989 373 E CA 0.844 57.154 56.400 -0.151 0.000 0.800 373 E CB -0.137 29.486 29.700 -0.128 0.000 0.746 373 E HN 0.410 nan 8.360 nan 0.000 0.452 374 E N 0.914 121.086 120.200 -0.047 0.000 2.031 374 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 374 E C 2.220 178.807 176.600 -0.022 0.000 0.994 374 E CA 1.117 57.502 56.400 -0.025 0.000 0.800 374 E CB -0.175 29.516 29.700 -0.015 0.000 0.752 374 E HN 0.223 nan 8.360 nan 0.000 0.447 375 A N 1.314 124.121 122.820 -0.021 0.000 1.892 375 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 375 A C 2.190 179.769 177.584 -0.008 0.000 1.188 375 A CA 2.100 54.131 52.037 -0.009 0.000 0.631 375 A CB -0.487 18.513 19.000 0.000 0.000 0.822 375 A HN 0.218 nan 8.150 nan 0.000 0.447 376 M N -1.165 118.422 119.600 -0.021 0.000 2.117 376 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 376 M C 1.957 178.247 176.300 -0.017 0.000 1.065 376 M CA 1.694 56.983 55.300 -0.018 0.000 1.114 376 M CB -1.354 31.221 32.600 -0.041 0.000 1.361 376 M HN 0.458 nan 8.290 nan 0.000 0.408 377 E N 0.046 120.232 120.200 -0.022 0.000 2.072 377 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 377 E C 2.141 178.731 176.600 -0.016 0.000 0.985 377 E CA 1.139 57.529 56.400 -0.018 0.000 0.801 377 E CB -0.047 29.643 29.700 -0.017 0.000 0.750 377 E HN 0.379 nan 8.360 nan 0.000 0.452 378 R N -0.351 120.139 120.500 -0.016 0.000 2.073 378 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 378 R C 2.409 178.694 176.300 -0.025 0.000 1.134 378 R CA 1.703 57.790 56.100 -0.021 0.000 0.952 378 R CB -0.301 29.987 30.300 -0.021 0.000 0.850 378 R HN 0.247 nan 8.270 nan 0.000 0.433 379 M N 0.046 119.637 119.600 -0.015 0.000 2.117 379 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 379 M C 2.301 178.599 176.300 -0.003 0.000 1.065 379 M CA 1.591 56.885 55.300 -0.011 0.000 1.114 379 M CB -0.245 32.378 32.600 0.038 0.000 1.361 379 M HN 0.175 nan 8.290 nan 0.000 0.408 380 E N 0.487 120.687 120.200 0.000 0.000 2.077 380 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 380 E C 2.142 178.736 176.600 -0.010 0.000 0.989 380 E CA 1.142 57.541 56.400 -0.001 0.000 0.800 380 E CB 0.074 29.769 29.700 -0.008 0.000 0.746 380 E HN 0.326 nan 8.360 nan 0.000 0.452 381 R N 0.077 120.568 120.500 -0.016 0.000 2.070 381 R HA -0.134 4.206 4.340 -0.000 0.000 0.233 381 R C 2.531 178.815 176.300 -0.025 0.000 1.137 381 R CA 1.550 57.639 56.100 -0.019 0.000 0.945 381 R CB -0.472 29.816 30.300 -0.020 0.000 0.845 381 R HN 0.264 nan 8.270 nan 0.000 0.430 382 V N 0.927 120.819 119.914 -0.038 0.000 2.515 382 V HA -0.150 3.970 4.120 -0.000 0.000 0.250 382 V C 1.961 178.029 176.094 -0.044 0.000 1.058 382 V CA 1.455 63.724 62.300 -0.052 0.000 1.064 382 V CB -0.217 31.555 31.823 -0.084 0.000 0.675 382 V HN 0.328 nan 8.190 nan 0.000 0.461 383 L N -0.269 120.939 121.223 -0.026 0.000 2.046 383 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 383 L C 2.782 179.652 176.870 0.001 0.000 1.077 383 L CA 2.318 57.160 54.840 0.003 0.000 0.747 383 L CB -0.577 41.504 42.059 0.037 0.000 0.896 383 L HN 0.294 nan 8.230 nan 0.000 0.432 384 K N -0.439 119.958 120.400 -0.005 0.000 2.116 384 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 384 K C 2.007 178.601 176.600 -0.010 0.000 1.052 384 K CA 0.939 57.223 56.287 -0.006 0.000 0.952 384 K CB -0.020 32.476 32.500 -0.007 0.000 0.729 384 K HN 0.283 nan 8.250 nan 0.000 0.446 385 E N 1.370 121.561 120.200 -0.015 0.000 2.023 385 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 385 E C 1.604 178.193 176.600 -0.017 0.000 1.003 385 E CA 1.220 57.610 56.400 -0.017 0.000 0.809 385 E CB 0.047 29.734 29.700 -0.023 0.000 0.755 385 E HN -0.051 nan 8.360 nan 0.000 0.449 386 R N 1.541 122.028 120.500 -0.021 0.000 2.535 386 R HA 0.023 4.363 4.340 -0.000 0.000 0.233 386 R C -0.197 176.098 176.300 -0.009 0.000 1.202 386 R CA 0.263 56.352 56.100 -0.018 0.000 1.205 386 R CB -1.091 29.192 30.300 -0.028 0.000 1.153 386 R HN 0.133 nan 8.270 nan 0.000 0.512 387 K N 0.490 120.886 120.400 -0.006 0.000 3.100 387 K HA -0.202 4.118 4.320 -0.000 0.000 0.261 387 K C 0.033 176.636 176.600 0.004 0.000 0.920 387 K CA 0.828 57.114 56.287 -0.002 0.000 0.683 387 K CB -1.192 31.306 32.500 -0.003 0.000 1.349 387 K HN 0.407 nan 8.250 nan 0.000 0.473 388 L N -0.439 120.790 121.223 0.010 0.000 2.558 388 L HA 0.009 4.349 4.340 -0.000 0.000 0.225 388 L C 0.848 177.734 176.870 0.026 0.000 1.128 388 L CA -0.015 54.840 54.840 0.025 0.000 0.868 388 L CB 0.096 42.182 42.059 0.046 0.000 1.006 388 L HN 0.148 nan 8.230 nan 0.000 0.454 389 V N 0.000 119.924 119.914 0.017 0.000 2.409 389 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 389 V CA 0.000 62.306 62.300 0.010 0.000 1.235 389 V CB 0.000 31.825 31.823 0.003 0.000 1.184 389 V HN 0.000 nan 8.190 nan 0.000 0.556