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 1ral_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDSISLRVAL NDGNFIPVLG FGTTVPEKVA KDEVIKATKI AIDNGFRHFD DATA SEQUENCE SAYLYEVEEE VGQAIRSKIE DGTVKREDIF YTSKLWSTFH RPELVRTCLE DATA SEQUENCE KTLKSTQLDY VDLYIIHFPM ALQPGDIFFP RDEHGKLLFE TVDICDTWEA DATA SEQUENCE MEKCKDAGLA KSIGVSNFNC RQLERILNKP GLKYKPVCNQ VECHLYLNQS DATA SEQUENCE KMLDYCKSKD IILVSYCTLG SSRDKTWVDQ KSPVLLDDPV LCAIAKKYKQ DATA SEQUENCE TPALVALRYQ LQRGVVPLIR SFNAKRIKEL TQVFEFQLAS EDMKALDGLN DATA SEQUENCE RNFRYNNA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.288 176.300 -0.021 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 2 D N 3.519 123.908 120.400 -0.019 0.000 2.350 2 D HA 0.203 nan 4.640 nan 0.000 0.249 2 D C -0.951 175.334 176.300 -0.026 0.000 1.119 2 D CA 0.771 54.758 54.000 -0.021 0.000 0.886 2 D CB 1.036 41.825 40.800 -0.019 0.000 1.195 2 D HN 0.116 8.476 8.370 -0.017 0.000 0.437 3 S N 3.943 119.629 115.700 -0.023 0.000 2.618 3 S HA 0.402 nan 4.470 nan 0.000 0.284 3 S C -0.401 174.176 174.600 -0.040 0.000 1.102 3 S CA -1.495 56.689 58.200 -0.027 0.000 0.984 3 S CB 1.967 65.164 63.200 -0.005 0.000 1.280 3 S HN 0.392 8.692 8.310 -0.017 0.000 0.525 4 I N -4.750 115.792 120.570 -0.045 0.000 2.547 4 I HA -0.238 nan 4.170 nan 0.000 0.275 4 I C -0.912 174.896 176.117 -0.515 0.000 0.503 4 I CA 0.773 62.005 61.300 -0.114 0.000 0.647 4 I CB -0.658 37.314 38.000 -0.045 0.000 4.128 4 I HN 0.244 8.440 8.210 -0.024 0.000 1.103 5 S N -0.056 115.433 115.700 -0.351 0.000 2.617 5 S HA 0.064 nan 4.470 nan 0.000 0.269 5 S C 0.462 174.867 174.600 -0.325 0.000 1.292 5 S CA -0.845 57.123 58.200 -0.386 0.000 1.010 5 S CB 1.088 64.151 63.200 -0.229 0.000 0.944 5 S HN -0.511 7.603 8.310 -0.214 0.067 0.536 6 L N 1.566 122.616 121.223 -0.289 0.000 1.997 6 L HA -0.302 nan 4.340 nan 0.000 0.216 6 L C 0.273 177.092 176.870 -0.085 0.000 1.074 6 L CA 2.869 57.617 54.840 -0.153 0.000 0.763 6 L CB 0.575 42.567 42.059 -0.112 0.000 0.890 6 L HN 0.346 8.385 8.230 -0.319 0.000 0.434 7 R N -5.689 114.757 120.500 -0.090 0.000 2.892 7 R HA 0.604 nan 4.340 nan 0.000 0.265 7 R C -1.721 174.585 176.300 0.011 0.000 1.025 7 R CA -1.084 54.995 56.100 -0.035 0.000 0.982 7 R CB 3.077 33.343 30.300 -0.057 0.000 1.185 7 R HN -0.748 7.446 8.270 -0.127 0.000 0.484 8 V N -0.522 119.483 119.914 0.152 0.000 3.012 8 V HA 0.375 nan 4.120 nan 0.000 0.307 8 V C -2.153 174.165 176.094 0.373 0.000 1.166 8 V CA -2.110 60.321 62.300 0.217 0.000 0.974 8 V CB 4.767 36.631 31.823 0.068 0.000 1.040 8 V HN 0.817 9.117 8.190 0.182 0.000 0.428 9 A N 6.014 129.031 122.820 0.329 0.000 2.531 9 A HA 0.290 nan 4.320 nan 0.000 0.236 9 A C -1.196 176.354 177.584 -0.057 0.000 1.062 9 A CA 1.134 53.212 52.037 0.068 0.000 0.760 9 A CB 0.085 19.142 19.000 0.094 0.000 0.995 9 A HN 0.260 8.574 8.150 0.273 0.000 0.501 10 L N 3.697 124.811 121.223 -0.181 0.000 2.541 10 L HA 0.283 nan 4.340 nan 0.000 0.266 10 L C -0.423 176.360 176.870 -0.146 0.000 0.966 10 L CA -0.353 54.418 54.840 -0.115 0.000 0.871 10 L CB 2.625 44.643 42.059 -0.069 0.000 1.232 10 L HN -0.261 7.754 8.230 -0.358 0.000 0.408 11 N N 7.428 126.069 118.700 -0.098 0.000 1.361 11 N HA -0.501 nan 4.740 nan 0.000 0.107 11 N C 0.186 175.638 175.510 -0.097 0.000 0.259 11 N CA 3.178 56.179 53.050 -0.080 0.000 0.996 11 N CB -0.610 37.848 38.487 -0.047 0.000 0.596 11 N HN 0.444 8.884 8.380 -0.080 -0.108 1.370 12 D N -0.577 119.754 120.400 -0.115 0.000 2.371 12 D HA -0.009 nan 4.640 nan 0.000 0.234 12 D C 0.747 176.940 176.300 -0.179 0.000 1.049 12 D CA 0.286 54.201 54.000 -0.142 0.000 0.907 12 D CB -0.924 39.782 40.800 -0.157 0.000 0.891 12 D HN 0.010 8.259 8.370 -0.108 0.057 0.531 13 G N -2.364 106.299 108.800 -0.228 0.000 2.179 13 G HA2 -0.480 nan 3.960 nan 0.000 0.257 13 G HA3 -0.480 nan 3.960 nan 0.000 0.257 13 G C -0.664 173.946 174.900 -0.484 0.000 1.010 13 G CA 0.376 45.287 45.100 -0.314 0.000 0.736 13 G HN -0.307 7.740 8.290 -0.213 0.116 0.513 14 N N -0.059 118.366 118.700 -0.458 0.000 2.370 14 N HA 0.295 nan 4.740 nan 0.000 0.303 14 N C -2.098 173.138 175.510 -0.456 0.000 1.103 14 N CA -0.998 51.841 53.050 -0.351 0.000 0.848 14 N CB 2.693 41.098 38.487 -0.137 0.000 1.235 14 N HN -0.363 7.774 8.380 -0.374 0.019 0.496 15 F N -1.160 118.851 119.950 0.102 0.000 2.449 15 F HA 0.363 nan 4.527 nan 0.000 0.342 15 F C -0.451 175.429 175.800 0.133 0.000 1.127 15 F CA -1.353 56.697 58.000 0.083 0.000 0.975 15 F CB 1.721 40.747 39.000 0.044 0.000 1.146 15 F HN 0.224 8.583 8.300 0.098 0.000 0.444 16 I N 4.027 124.675 120.570 0.130 0.000 2.440 16 I HA 0.348 nan 4.170 nan 0.000 0.294 16 I C -2.412 173.607 176.117 -0.163 0.000 0.995 16 I CA -3.799 57.327 61.300 -0.289 0.000 1.306 16 I CB 3.151 40.874 38.000 -0.461 0.000 1.407 16 I HN 0.531 8.814 8.210 0.122 0.000 0.501 17 P HA -0.058 nan 4.420 nan 0.000 0.269 17 P C -1.639 175.651 177.300 -0.017 0.000 1.209 17 P CA 0.485 63.554 63.100 -0.051 0.000 0.776 17 P CB 0.354 32.062 31.700 0.012 0.000 0.876 18 V N 2.129 122.068 119.914 0.041 0.000 2.951 18 V HA -0.089 nan 4.120 nan 0.000 0.255 18 V C -1.227 174.941 176.094 0.124 0.000 1.088 18 V CA 0.606 62.947 62.300 0.068 0.000 1.109 18 V CB 0.780 32.636 31.823 0.055 0.000 0.724 18 V HN 0.254 8.466 8.190 0.038 0.000 0.471 19 L N -2.250 119.069 121.223 0.160 0.000 2.381 19 L HA 0.349 nan 4.340 nan 0.000 0.274 19 L C -1.805 175.158 176.870 0.156 0.000 0.988 19 L CA -0.932 53.995 54.840 0.145 0.000 0.824 19 L CB 3.292 45.432 42.059 0.136 0.000 1.263 19 L HN -0.644 7.680 8.230 0.157 0.000 0.410 20 G N 2.762 111.604 108.800 0.070 0.000 2.685 20 G HA2 0.662 nan 3.960 nan 0.000 0.298 20 G HA3 0.662 nan 3.960 nan 0.000 0.298 20 G C -3.036 171.845 174.900 -0.031 0.000 1.277 20 G CA -1.700 43.310 45.100 -0.151 0.000 0.986 20 G HN 0.639 8.872 8.290 0.061 0.094 0.487 21 F N -0.307 119.425 119.950 -0.364 0.000 2.561 21 F HA 0.792 nan 4.527 nan 0.000 0.321 21 F C -1.812 173.894 175.800 -0.156 0.000 1.065 21 F CA -2.728 55.084 58.000 -0.312 0.000 0.934 21 F CB 4.146 42.848 39.000 -0.497 0.000 1.215 21 F HN -0.308 7.848 8.300 -0.239 0.000 0.471 22 G N 1.923 110.724 108.800 0.002 0.000 2.600 22 G HA2 0.662 nan 3.960 nan 0.000 0.303 22 G HA3 0.662 nan 3.960 nan 0.000 0.303 22 G C -2.466 172.469 174.900 0.059 0.000 1.253 22 G CA -1.423 43.697 45.100 0.033 0.000 0.974 22 G HN 0.380 8.370 8.290 -0.500 0.000 0.483 23 T N -3.172 111.414 114.554 0.053 0.000 2.928 23 T HA 0.498 nan 4.350 nan 0.000 0.296 23 T C -1.075 173.602 174.700 -0.037 0.000 1.000 23 T CA -1.782 60.387 62.100 0.114 0.000 0.989 23 T CB 1.717 70.727 68.868 0.237 0.000 1.005 23 T HN -0.360 7.895 8.240 0.026 0.000 0.442 24 T N 2.300 116.891 114.554 0.062 0.000 2.676 24 T HA 0.113 nan 4.350 nan 0.000 0.294 24 T C -1.318 173.427 174.700 0.075 0.000 1.647 24 T CA -0.449 61.609 62.100 -0.069 0.000 0.992 24 T CB 1.349 69.993 68.868 -0.374 0.000 1.951 24 T HN 0.009 8.442 8.240 0.322 0.000 0.446 25 V N 3.101 123.017 119.914 0.003 0.000 2.872 25 V HA 0.102 nan 4.120 nan 0.000 0.302 25 V C -1.543 174.554 176.094 0.005 0.000 1.166 25 V CA -0.514 61.772 62.300 -0.024 0.000 1.298 25 V CB -0.048 31.738 31.823 -0.061 0.000 0.894 25 V HN 0.059 8.228 8.190 -0.035 0.000 0.509 26 P HA 0.377 nan 4.420 nan 0.000 0.350 26 P C -2.083 175.139 177.300 -0.131 0.000 1.140 26 P CA -1.359 61.603 63.100 -0.229 0.000 0.792 26 P CB 2.306 33.668 31.700 -0.562 0.000 1.412 27 E N -0.012 120.071 120.200 -0.194 0.000 2.197 27 E HA 0.123 nan 4.350 nan 0.000 0.281 27 E C 0.642 177.174 176.600 -0.114 0.000 0.995 27 E CA -1.271 55.079 56.400 -0.083 0.000 0.808 27 E CB 0.873 30.559 29.700 -0.023 0.000 1.093 27 E HN 0.217 8.325 8.360 -0.419 0.000 0.394 28 K N 5.218 125.573 120.400 -0.074 0.000 1.991 28 K HA -0.287 nan 4.320 nan 0.000 0.212 28 K C 0.499 177.061 176.600 -0.064 0.000 1.049 28 K CA 2.720 58.965 56.287 -0.069 0.000 0.932 28 K CB 0.262 32.733 32.500 -0.049 0.000 0.717 28 K HN 0.220 8.436 8.250 -0.056 0.000 0.441 29 V N 0.348 120.235 119.914 -0.045 0.000 2.599 29 V HA -0.196 nan 4.120 nan 0.000 0.300 29 V C 0.327 176.395 176.094 -0.043 0.000 1.034 29 V CA 1.198 63.478 62.300 -0.033 0.000 1.115 29 V CB -0.675 31.140 31.823 -0.015 0.000 0.934 29 V HN -0.278 7.890 8.190 -0.037 0.000 0.485 30 A N 6.219 129.015 122.820 -0.040 0.000 3.925 30 A HA -0.340 nan 4.320 nan 0.000 0.247 30 A C -0.317 177.216 177.584 -0.085 0.000 0.630 30 A CA 1.857 53.866 52.037 -0.047 0.000 1.174 30 A CB -0.879 18.104 19.000 -0.029 0.000 1.222 30 A HN 0.933 9.064 8.150 -0.033 0.000 0.676 31 K N -2.500 117.827 120.400 -0.123 0.000 1.850 31 K HA -0.312 nan 4.320 nan 0.000 0.415 31 K C -0.720 175.754 176.600 -0.210 0.000 1.767 31 K CA 1.004 57.196 56.287 -0.159 0.000 0.759 31 K CB -0.232 32.206 32.500 -0.103 0.000 1.141 31 K HN -0.410 7.675 8.250 -0.120 0.093 0.757 32 D N 0.604 120.901 120.400 -0.173 0.000 2.994 32 D HA 0.115 nan 4.640 nan 0.000 0.240 32 D C -0.613 175.625 176.300 -0.103 0.000 1.195 32 D CA -0.021 53.879 54.000 -0.166 0.000 0.957 32 D CB -0.866 39.855 40.800 -0.132 0.000 1.105 32 D HN 0.119 8.408 8.370 -0.135 0.000 0.477 33 E N 1.547 121.689 120.200 -0.097 0.000 2.598 33 E HA 0.180 nan 4.350 nan 0.000 0.233 33 E C 0.314 176.896 176.600 -0.031 0.000 1.173 33 E CA -1.184 55.185 56.400 -0.051 0.000 1.473 33 E CB 0.183 29.859 29.700 -0.040 0.000 1.398 33 E HN -0.544 7.656 8.360 -0.129 0.083 0.431 34 V N 2.820 122.718 119.914 -0.027 0.000 2.453 34 V HA -0.464 nan 4.120 nan 0.000 0.252 34 V C 1.247 177.376 176.094 0.059 0.000 1.068 34 V CA 4.234 66.570 62.300 0.060 0.000 1.070 34 V CB -0.876 31.006 31.823 0.098 0.000 0.664 34 V HN -0.170 8.059 8.190 -0.048 -0.069 0.461 35 I N -0.819 119.756 120.570 0.008 0.000 2.191 35 I HA -0.720 nan 4.170 nan 0.000 0.248 35 I C 1.127 177.234 176.117 -0.016 0.000 1.061 35 I CA 3.610 64.897 61.300 -0.021 0.000 1.329 35 I CB -0.170 37.818 38.000 -0.021 0.000 1.024 35 I HN -0.375 7.837 8.210 0.002 0.000 0.423 36 K N -2.513 117.896 120.400 0.016 0.000 2.057 36 K HA -0.261 nan 4.320 nan 0.000 0.206 36 K C 2.219 178.854 176.600 0.059 0.000 1.050 36 K CA 2.674 58.979 56.287 0.031 0.000 0.935 36 K CB -0.944 31.577 32.500 0.035 0.000 0.715 36 K HN -0.181 8.051 8.250 0.019 0.030 0.439 37 A N -0.856 122.033 122.820 0.115 0.000 1.897 37 A HA -0.085 nan 4.320 nan 0.000 0.215 37 A C 2.113 179.734 177.584 0.062 0.000 1.181 37 A CA 2.825 54.978 52.037 0.193 0.000 0.620 37 A CB -0.779 18.486 19.000 0.441 0.000 0.821 37 A HN -0.296 7.837 8.150 0.121 0.090 0.443 38 T N -2.915 111.587 114.554 -0.086 0.000 2.915 38 T HA -0.219 nan 4.350 nan 0.000 0.269 38 T C 2.005 176.555 174.700 -0.251 0.000 1.071 38 T CA 3.079 64.933 62.100 -0.409 0.000 1.132 38 T CB -0.337 68.225 68.868 -0.512 0.000 0.878 38 T HN 0.034 8.263 8.240 -0.018 0.000 0.479 39 K N 2.158 122.499 120.400 -0.098 0.000 2.025 39 K HA -0.194 nan 4.320 nan 0.000 0.207 39 K C 1.940 178.557 176.600 0.028 0.000 1.049 39 K CA 3.088 59.357 56.287 -0.029 0.000 0.933 39 K CB 0.076 32.573 32.500 -0.005 0.000 0.714 39 K HN -0.203 7.921 8.250 -0.069 0.085 0.438 40 I N -6.549 114.056 120.570 0.059 0.000 3.555 40 I HA -0.200 nan 4.170 nan 0.000 0.304 40 I C -0.439 175.783 176.117 0.175 0.000 1.246 40 I CA 0.681 62.050 61.300 0.114 0.000 1.220 40 I CB -1.398 36.680 38.000 0.130 0.000 1.001 40 I HN -0.239 8.005 8.210 0.055 0.000 0.513 41 A N -0.205 122.686 122.820 0.119 0.000 2.010 41 A HA 0.150 nan 4.320 nan 0.000 0.210 41 A C 1.699 179.505 177.584 0.371 0.000 1.479 41 A CA 1.432 53.584 52.037 0.191 0.000 0.748 41 A CB 1.173 19.953 19.000 -0.367 0.000 1.125 41 A HN -0.508 7.425 8.150 0.027 0.233 0.522 42 I N -1.782 118.980 120.570 0.320 0.000 2.756 42 I HA -0.413 nan 4.170 nan 0.000 0.262 42 I C 1.425 177.658 176.117 0.193 0.000 1.225 42 I CA 2.881 64.365 61.300 0.306 0.000 1.472 42 I CB -0.606 37.545 38.000 0.252 0.000 1.094 42 I HN -0.382 7.944 8.210 0.193 0.000 0.454 43 D N 0.107 120.601 120.400 0.157 0.000 2.378 43 D HA -0.136 nan 4.640 nan 0.000 0.227 43 D C 0.722 177.096 176.300 0.125 0.000 1.012 43 D CA 2.320 56.391 54.000 0.118 0.000 0.905 43 D CB -0.572 40.283 40.800 0.093 0.000 0.895 43 D HN -0.399 8.034 8.370 0.149 0.027 0.532 44 N N -3.106 115.696 118.700 0.170 0.000 2.171 44 N HA 0.115 nan 4.740 nan 0.000 0.212 44 N C -0.164 175.380 175.510 0.056 0.000 1.184 44 N CA -0.159 52.969 53.050 0.131 0.000 0.888 44 N CB 1.480 40.090 38.487 0.205 0.000 1.038 44 N HN -0.354 7.976 8.380 0.232 0.189 0.517 45 G N -1.946 106.906 108.800 0.087 0.000 2.352 45 G HA2 -0.317 nan 3.960 nan 0.000 0.204 45 G HA3 -0.317 nan 3.960 nan 0.000 0.204 45 G C 0.063 174.999 174.900 0.061 0.000 1.004 45 G CA -0.203 44.917 45.100 0.034 0.000 0.648 45 G HN -0.683 7.687 8.290 0.134 0.000 0.491 46 F N 3.593 123.559 119.950 0.027 0.000 2.538 46 F HA -0.162 nan 4.527 nan 0.000 0.382 46 F C -0.178 175.483 175.800 -0.231 0.000 1.069 46 F CA 1.569 59.509 58.000 -0.101 0.000 1.138 46 F CB -0.226 38.753 39.000 -0.034 0.000 1.068 46 F HN -0.676 7.702 8.300 0.257 0.076 0.556 47 R N 2.775 123.227 120.500 -0.080 0.000 2.369 47 R HA 0.159 nan 4.340 nan 0.000 0.210 47 R C -1.603 174.636 176.300 -0.102 0.000 0.881 47 R CA 0.420 56.490 56.100 -0.050 0.000 1.031 47 R CB 1.834 32.186 30.300 0.086 0.000 1.184 47 R HN -0.095 8.179 8.270 0.006 0.000 0.581 48 H N 0.071 118.935 119.070 -0.343 0.000 2.476 48 H HA 0.561 nan 4.556 nan 0.000 0.328 48 H C -1.957 173.136 175.328 -0.392 0.000 1.073 48 H CA -2.094 53.855 56.048 -0.165 0.000 1.229 48 H CB 0.844 30.503 29.762 -0.172 0.000 1.432 48 H HN -0.476 7.676 8.280 -0.213 0.000 0.477 49 F N 4.904 125.097 119.950 0.405 0.000 2.577 49 F HA 0.520 nan 4.527 nan 0.000 0.318 49 F C -1.911 173.931 175.800 0.070 0.000 1.065 49 F CA -1.546 56.533 58.000 0.132 0.000 0.929 49 F CB 4.595 43.688 39.000 0.156 0.000 1.237 49 F HN 0.450 9.150 8.300 0.667 0.000 0.468 50 D N 0.933 121.442 120.400 0.183 0.000 2.696 50 D HA 0.467 nan 4.640 nan 0.000 0.251 50 D C -2.194 174.159 176.300 0.088 0.000 1.188 50 D CA -0.961 53.074 54.000 0.059 0.000 0.876 50 D CB 3.109 43.949 40.800 0.067 0.000 1.334 50 D HN 0.065 8.600 8.370 0.276 0.000 0.540 51 S N 4.941 120.618 115.700 -0.037 0.000 2.732 51 S HA 0.419 nan 4.470 nan 0.000 0.293 51 S C -2.417 172.150 174.600 -0.055 0.000 1.159 51 S CA -1.825 56.454 58.200 0.132 0.000 0.847 51 S CB 2.830 66.099 63.200 0.115 0.000 1.169 51 S HN 0.468 8.526 8.310 -0.232 0.113 0.501 52 A N -1.134 121.580 122.820 -0.177 0.000 2.609 52 A HA 0.364 nan 4.320 nan 0.000 0.291 52 A C -1.522 175.979 177.584 -0.137 0.000 1.096 52 A CA -0.730 51.116 52.037 -0.319 0.000 0.684 52 A CB 2.011 20.596 19.000 -0.692 0.000 1.282 52 A HN -0.154 7.979 8.150 -0.028 0.000 0.412 53 Y N 0.561 120.774 120.300 -0.145 0.000 2.114 53 Y HA -0.404 nan 4.550 nan 0.000 0.284 53 Y C 1.183 177.060 175.900 -0.038 0.000 1.143 53 Y CA 4.332 62.399 58.100 -0.055 0.000 1.135 53 Y CB 0.420 38.853 38.460 -0.045 0.000 0.980 53 Y HN 0.157 8.526 8.280 0.147 0.000 0.499 54 L N -3.168 117.910 121.223 -0.242 0.000 1.932 54 L HA -0.303 nan 4.340 nan 0.000 0.217 54 L C 0.682 177.449 176.870 -0.172 0.000 1.077 54 L CA 2.714 57.348 54.840 -0.343 0.000 0.765 54 L CB -0.130 41.481 42.059 -0.746 0.000 0.888 54 L HN -0.150 7.981 8.230 -0.165 0.000 0.433 55 Y N -5.249 115.046 120.300 -0.009 0.000 2.971 55 Y HA 0.054 nan 4.550 nan 0.000 0.384 55 Y C -0.965 174.946 175.900 0.017 0.000 1.166 55 Y CA -4.716 53.387 58.100 0.006 0.000 1.973 55 Y CB -2.722 35.768 38.460 0.050 0.000 2.082 55 Y HN -0.313 7.520 8.280 -0.745 0.000 0.420 56 E N 0.363 120.597 120.200 0.057 0.000 2.585 56 E HA -0.258 nan 4.350 nan 0.000 0.252 56 E C -1.402 175.258 176.600 0.101 0.000 0.981 56 E CA 0.747 57.175 56.400 0.047 0.000 0.943 56 E CB -0.562 29.117 29.700 -0.036 0.000 0.923 56 E HN -0.038 8.233 8.360 -0.023 0.075 0.486 57 V N 3.510 123.510 119.914 0.143 0.000 3.251 57 V HA 0.066 nan 4.120 nan 0.000 0.239 57 V C 1.172 177.335 176.094 0.115 0.000 1.332 57 V CA 1.090 63.470 62.300 0.134 0.000 1.224 57 V CB 1.054 32.991 31.823 0.190 0.000 1.004 57 V HN 0.332 8.623 8.190 0.168 0.000 0.464 58 E N -0.318 119.978 120.200 0.160 0.000 2.786 58 E HA -0.623 nan 4.350 nan 0.000 0.237 58 E C 1.414 178.057 176.600 0.072 0.000 0.950 58 E CA 3.344 59.840 56.400 0.160 0.000 1.380 58 E CB -0.930 28.866 29.700 0.161 0.000 1.351 58 E HN -0.178 8.301 8.360 0.199 0.000 0.484 59 E N -0.846 119.384 120.200 0.049 0.000 2.136 59 E HA -0.321 nan 4.350 nan 0.000 0.202 59 E C 2.349 178.951 176.600 0.003 0.000 1.019 59 E CA 2.929 59.341 56.400 0.019 0.000 0.819 59 E CB -0.248 29.462 29.700 0.017 0.000 0.739 59 E HN 0.407 8.802 8.360 0.058 0.000 0.458 60 E N -5.702 114.504 120.200 0.010 0.000 2.481 60 E HA 0.134 nan 4.350 nan 0.000 0.198 60 E C 1.758 178.351 176.600 -0.010 0.000 1.027 60 E CA 0.530 56.928 56.400 -0.003 0.000 0.900 60 E CB 0.346 30.045 29.700 -0.001 0.000 0.993 60 E HN 0.044 8.406 8.360 0.025 0.013 0.482 61 V N 1.190 121.107 119.914 0.004 0.000 2.922 61 V HA 0.051 nan 4.120 nan 0.000 0.242 61 V C 1.414 177.462 176.094 -0.075 0.000 1.094 61 V CA 2.700 64.984 62.300 -0.028 0.000 1.106 61 V CB 0.247 32.107 31.823 0.062 0.000 0.799 61 V HN -0.170 7.921 8.190 0.032 0.118 0.474 62 G N -0.824 107.937 108.800 -0.066 0.000 2.491 62 G HA2 -0.451 nan 3.960 nan 0.000 0.218 62 G HA3 -0.451 nan 3.960 nan 0.000 0.218 62 G C 0.422 175.254 174.900 -0.113 0.000 1.180 62 G CA 2.508 47.519 45.100 -0.148 0.000 0.774 62 G HN 0.635 8.807 8.290 -0.012 0.111 0.562 63 Q N 1.490 121.246 119.800 -0.074 0.000 2.002 63 Q HA -0.311 nan 4.340 nan 0.000 0.204 63 Q C 1.251 177.211 176.000 -0.067 0.000 0.988 63 Q CA 3.248 59.015 55.803 -0.060 0.000 0.843 63 Q CB -0.251 28.463 28.738 -0.041 0.000 0.908 63 Q HN -0.594 7.641 8.270 -0.058 0.000 0.420 64 A N -2.470 120.302 122.820 -0.079 0.000 1.940 64 A HA -0.201 nan 4.320 nan 0.000 0.219 64 A C 2.531 180.061 177.584 -0.090 0.000 1.176 64 A CA 2.443 54.429 52.037 -0.086 0.000 0.631 64 A CB -0.311 18.617 19.000 -0.120 0.000 0.814 64 A HN -0.496 7.606 8.150 -0.079 0.000 0.446 65 I N -1.084 119.420 120.570 -0.110 0.000 2.142 65 I HA -0.478 nan 4.170 nan 0.000 0.240 65 I C 1.523 177.615 176.117 -0.041 0.000 1.078 65 I CA 3.901 65.164 61.300 -0.062 0.000 1.343 65 I CB -0.156 37.806 38.000 -0.062 0.000 1.046 65 I HN -0.432 7.697 8.210 -0.136 0.000 0.405 66 R N -1.058 119.405 120.500 -0.062 0.000 2.526 66 R HA -0.136 nan 4.340 nan 0.000 0.223 66 R C -0.169 176.109 176.300 -0.038 0.000 1.250 66 R CA 0.674 56.743 56.100 -0.052 0.000 1.227 66 R CB -1.784 28.477 30.300 -0.065 0.000 1.109 66 R HN 0.131 8.244 8.270 -0.083 0.107 0.499 67 S N -2.119 113.563 115.700 -0.030 0.000 2.769 67 S HA 0.125 nan 4.470 nan 0.000 0.258 67 S C 0.867 175.462 174.600 -0.008 0.000 1.080 67 S CA 1.617 59.806 58.200 -0.020 0.000 0.943 67 S CB 1.943 65.130 63.200 -0.022 0.000 0.893 67 S HN 0.024 8.093 8.310 -0.034 0.220 0.490 68 K N 3.356 123.756 120.400 -0.001 0.000 2.366 68 K HA -0.004 nan 4.320 nan 0.000 0.198 68 K C 0.410 177.021 176.600 0.018 0.000 1.044 68 K CA 1.504 57.801 56.287 0.017 0.000 0.973 68 K CB 0.244 32.766 32.500 0.037 0.000 0.767 68 K HN -0.190 7.957 8.250 -0.008 0.099 0.475 69 I N -2.038 118.537 120.570 0.009 0.000 3.184 69 I HA -0.105 nan 4.170 nan 0.000 0.311 69 I C -1.151 174.963 176.117 -0.005 0.000 1.243 69 I CA 0.343 61.645 61.300 0.004 0.000 1.393 69 I CB -2.126 35.871 38.000 -0.005 0.000 1.471 69 I HN -0.572 7.619 8.210 0.002 0.020 0.540 70 E N 1.629 121.828 120.200 -0.000 0.000 2.768 70 E HA -0.017 nan 4.350 nan 0.000 0.267 70 E C -0.216 176.386 176.600 0.003 0.000 1.138 70 E CA 1.267 57.666 56.400 -0.002 0.000 1.914 70 E CB 0.617 30.313 29.700 -0.007 0.000 2.770 70 E HN -0.163 8.100 8.360 0.006 0.100 1.037 71 D N 1.011 121.416 120.400 0.007 0.000 2.190 71 D HA -0.191 nan 4.640 nan 0.000 0.200 71 D C 1.165 177.473 176.300 0.013 0.000 0.992 71 D CA 1.870 55.877 54.000 0.011 0.000 0.854 71 D CB 0.381 41.192 40.800 0.017 0.000 0.936 71 D HN -0.240 8.134 8.370 0.007 0.000 0.462 72 G N -4.031 104.778 108.800 0.015 0.000 2.215 72 G HA2 -0.343 nan 3.960 nan 0.000 0.198 72 G HA3 -0.343 nan 3.960 nan 0.000 0.198 72 G C 0.166 175.079 174.900 0.023 0.000 1.047 72 G CA 0.290 45.400 45.100 0.016 0.000 0.747 72 G HN -0.518 7.747 8.290 0.015 0.034 0.495 73 T N -0.886 113.685 114.554 0.030 0.000 2.988 73 T HA 0.104 nan 4.350 nan 0.000 0.240 73 T C 0.524 175.252 174.700 0.046 0.000 1.014 73 T CA 1.539 63.663 62.100 0.040 0.000 1.155 73 T CB 0.849 69.745 68.868 0.047 0.000 0.872 73 T HN -0.326 7.931 8.240 0.028 0.000 0.440 74 V N 2.117 122.060 119.914 0.049 0.000 2.966 74 V HA 0.197 nan 4.120 nan 0.000 0.317 74 V C -1.566 174.552 176.094 0.039 0.000 1.070 74 V CA -1.557 60.777 62.300 0.056 0.000 1.008 74 V CB 1.310 33.175 31.823 0.071 0.000 1.070 74 V HN -0.617 7.598 8.190 0.041 0.000 0.457 75 K N 0.466 120.891 120.400 0.041 0.000 2.668 75 K HA 0.338 nan 4.320 nan 0.000 0.246 75 K C 0.334 176.955 176.600 0.036 0.000 0.976 75 K CA -1.309 54.995 56.287 0.029 0.000 0.902 75 K CB 2.089 34.605 32.500 0.026 0.000 1.172 75 K HN -0.032 8.393 8.250 0.052 -0.144 0.452 76 R N 4.824 125.339 120.500 0.025 0.000 2.431 76 R HA -0.523 nan 4.340 nan 0.000 0.236 76 R C 1.540 177.867 176.300 0.046 0.000 0.999 76 R CA 3.647 59.762 56.100 0.025 0.000 0.876 76 R CB -0.604 29.690 30.300 -0.009 0.000 0.940 76 R HN 0.632 8.910 8.270 0.013 0.000 0.433 77 E N -3.069 117.157 120.200 0.043 0.000 2.171 77 E HA -0.271 nan 4.350 nan 0.000 0.197 77 E C 2.027 178.679 176.600 0.087 0.000 0.997 77 E CA 2.716 59.151 56.400 0.058 0.000 0.810 77 E CB -0.703 29.028 29.700 0.050 0.000 0.738 77 E HN 0.313 8.656 8.360 0.034 0.037 0.467 78 D N -2.724 117.728 120.400 0.087 0.000 2.352 78 D HA -0.063 nan 4.640 nan 0.000 0.232 78 D C 0.046 176.433 176.300 0.146 0.000 1.055 78 D CA 0.997 55.060 54.000 0.106 0.000 0.891 78 D CB -0.079 40.772 40.800 0.085 0.000 0.897 78 D HN -0.090 8.292 8.370 0.070 0.029 0.529 79 I N -0.945 119.723 120.570 0.163 0.000 2.533 79 I HA 0.139 nan 4.170 nan 0.000 0.290 79 I C -2.044 174.231 176.117 0.263 0.000 1.056 79 I CA -0.692 60.748 61.300 0.233 0.000 1.057 79 I CB 3.266 41.391 38.000 0.209 0.000 1.240 79 I HN -0.367 7.793 8.210 0.133 0.130 0.423 80 F N 9.870 129.937 119.950 0.195 0.000 2.477 80 F HA 0.372 nan 4.527 nan 0.000 0.335 80 F C -2.882 173.099 175.800 0.301 0.000 1.130 80 F CA -1.788 56.309 58.000 0.161 0.000 0.948 80 F CB 4.191 43.203 39.000 0.020 0.000 1.154 80 F HN 0.530 9.103 8.300 0.455 0.000 0.439 81 Y N 7.884 128.343 120.300 0.265 0.000 2.326 81 Y HA 0.319 nan 4.550 nan 0.000 0.329 81 Y C -2.197 173.878 175.900 0.291 0.000 0.973 81 Y CA -1.647 56.655 58.100 0.335 0.000 1.162 81 Y CB 2.317 40.903 38.460 0.210 0.000 1.147 81 Y HN 0.079 8.571 8.280 0.096 -0.155 0.456 82 T N 10.491 125.015 114.554 -0.050 0.000 2.875 82 T HA 0.433 nan 4.350 nan 0.000 0.284 82 T C -1.078 173.398 174.700 -0.373 0.000 0.995 82 T CA -0.243 61.822 62.100 -0.059 0.000 1.060 82 T CB 1.158 70.072 68.868 0.077 0.000 0.967 82 T HN 0.763 8.981 8.240 -0.036 0.000 0.476 83 S N 4.782 120.320 115.700 -0.270 0.000 2.740 83 S HA 0.529 nan 4.470 nan 0.000 0.300 83 S C -2.078 172.167 174.600 -0.592 0.000 1.147 83 S CA -1.696 56.315 58.200 -0.314 0.000 0.871 83 S CB 4.116 67.279 63.200 -0.063 0.000 1.173 83 S HN -0.088 8.100 8.310 -0.204 0.000 0.510 84 K N -0.939 119.090 120.400 -0.618 0.000 2.523 84 K HA 0.470 nan 4.320 nan 0.000 0.257 84 K C -1.734 174.721 176.600 -0.242 0.000 0.932 84 K CA -0.741 55.232 56.287 -0.523 0.000 0.812 84 K CB 3.553 35.828 32.500 -0.375 0.000 1.326 84 K HN 0.245 8.251 8.250 -0.407 0.000 0.433 85 L N 1.902 123.123 121.223 -0.003 0.000 2.326 85 L HA 0.300 nan 4.340 nan 0.000 0.278 85 L C -1.644 175.483 176.870 0.429 0.000 1.092 85 L CA -0.822 54.217 54.840 0.331 0.000 0.810 85 L CB 1.802 44.102 42.059 0.403 0.000 1.153 85 L HN 0.212 8.408 8.230 -0.056 0.000 0.439 86 W N 5.760 127.120 121.300 0.100 0.000 2.449 86 W HA 0.235 nan 4.660 nan 0.000 0.331 86 W C 0.657 177.293 176.519 0.194 0.000 1.119 86 W CA -1.230 56.206 57.345 0.150 0.000 1.240 86 W CB 2.372 31.866 29.460 0.057 0.000 1.251 86 W HN -0.373 7.925 8.180 0.197 0.000 0.576 87 S N 4.452 119.237 115.700 -1.524 0.000 2.409 87 S HA -0.452 nan 4.470 nan 0.000 0.237 87 S C 1.683 175.805 174.600 -0.796 0.000 1.060 87 S CA 3.705 61.084 58.200 -1.369 0.000 1.052 87 S CB -0.349 61.772 63.200 -1.799 0.000 0.871 87 S HN 0.657 7.496 8.310 -2.452 0.000 0.465 88 T N -2.102 112.031 114.554 -0.702 0.000 2.698 88 T HA -0.153 nan 4.350 nan 0.000 0.260 88 T C 1.759 176.268 174.700 -0.319 0.000 1.044 88 T CA 2.284 64.161 62.100 -0.371 0.000 1.149 88 T CB -0.477 68.236 68.868 -0.258 0.000 0.864 88 T HN 0.281 7.850 8.240 -1.076 0.025 0.419 89 F N -1.407 118.451 119.950 -0.155 0.000 2.724 89 F HA -0.177 nan 4.527 nan 0.000 0.297 89 F C 0.752 176.544 175.800 -0.014 0.000 1.200 89 F CA 1.039 58.983 58.000 -0.093 0.000 1.468 89 F CB -0.826 38.081 39.000 -0.154 0.000 1.116 89 F HN -0.081 8.293 8.300 0.124 0.000 0.599 90 H N -2.386 116.665 119.070 -0.032 0.000 2.489 90 H HA -0.143 nan 4.556 nan 0.000 0.293 90 H C -0.080 175.238 175.328 -0.016 0.000 1.066 90 H CA 2.548 58.582 56.048 -0.022 0.000 1.305 90 H CB 0.192 29.907 29.762 -0.077 0.000 1.386 90 H HN -0.631 7.580 8.280 0.105 0.132 0.551 91 R N -0.100 120.424 120.500 0.041 0.000 2.449 91 R HA 0.003 nan 4.340 nan 0.000 0.296 91 R C -0.664 175.628 176.300 -0.014 0.000 1.047 91 R CA -1.934 54.166 56.100 -0.001 0.000 1.018 91 R CB -0.107 30.174 30.300 -0.030 0.000 0.962 91 R HN -0.827 7.403 8.270 0.022 0.054 0.428 92 P HA -0.147 nan 4.420 nan 0.000 0.215 92 P C 0.962 178.242 177.300 -0.033 0.000 1.153 92 P CA 2.795 65.872 63.100 -0.037 0.000 0.853 92 P CB -0.003 31.678 31.700 -0.032 0.000 0.788 93 E N -2.222 117.963 120.200 -0.024 0.000 2.472 93 E HA -0.160 nan 4.350 nan 0.000 0.200 93 E C 0.941 177.533 176.600 -0.014 0.000 1.046 93 E CA 1.816 58.203 56.400 -0.022 0.000 0.871 93 E CB -1.778 27.911 29.700 -0.019 0.000 0.806 93 E HN 0.716 9.063 8.360 -0.022 0.000 0.533 94 L N -7.572 113.650 121.223 -0.002 0.000 2.920 94 L HA 0.388 nan 4.340 nan 0.000 0.257 94 L C 1.001 177.904 176.870 0.056 0.000 1.150 94 L CA 0.285 55.144 54.840 0.032 0.000 0.959 94 L CB 0.033 42.117 42.059 0.042 0.000 1.321 94 L HN -0.439 7.713 8.230 -0.006 0.075 0.555 95 V N 2.964 122.888 119.914 0.017 0.000 2.233 95 V HA -0.614 nan 4.120 nan 0.000 0.256 95 V C 2.091 178.143 176.094 -0.071 0.000 1.069 95 V CA 4.195 66.488 62.300 -0.013 0.000 1.054 95 V CB -1.237 30.538 31.823 -0.080 0.000 0.664 95 V HN -0.473 7.715 8.190 -0.005 0.000 0.453 96 R N -3.313 117.126 120.500 -0.102 0.000 2.211 96 R HA -0.435 nan 4.340 nan 0.000 0.240 96 R C 1.929 178.155 176.300 -0.124 0.000 1.144 96 R CA 2.876 58.889 56.100 -0.146 0.000 0.992 96 R CB -1.482 28.748 30.300 -0.115 0.000 0.869 96 R HN 0.234 8.453 8.270 -0.085 0.000 0.462 97 T N 3.801 118.321 114.554 -0.056 0.000 2.720 97 T HA -0.286 nan 4.350 nan 0.000 0.268 97 T C 1.640 176.237 174.700 -0.171 0.000 1.037 97 T CA 5.012 67.091 62.100 -0.034 0.000 1.144 97 T CB -0.593 68.339 68.868 0.106 0.000 0.864 97 T HN 0.075 8.278 8.240 -0.012 0.030 0.444 98 C N 2.357 121.453 119.300 -0.340 0.000 2.425 98 C HA -0.248 nan 4.460 nan 0.000 0.277 98 C C 1.712 176.561 174.990 -0.236 0.000 1.280 98 C CA 4.297 62.952 59.018 -0.604 0.000 1.744 98 C CB -1.781 25.555 27.740 -0.673 0.000 1.989 98 C HN 0.062 8.158 8.230 -0.224 0.000 0.491 99 L N -0.423 120.634 121.223 -0.276 0.000 1.976 99 L HA -0.537 nan 4.340 nan 0.000 0.209 99 L C 1.948 178.749 176.870 -0.116 0.000 1.071 99 L CA 3.636 58.267 54.840 -0.349 0.000 0.746 99 L CB 0.023 41.755 42.059 -0.546 0.000 0.890 99 L HN -0.608 7.345 8.230 -0.302 0.096 0.432 100 E N -1.131 119.011 120.200 -0.096 0.000 2.058 100 E HA -0.484 nan 4.350 nan 0.000 0.194 100 E C 2.477 179.085 176.600 0.013 0.000 0.997 100 E CA 3.423 59.807 56.400 -0.027 0.000 0.801 100 E CB -0.351 29.335 29.700 -0.023 0.000 0.746 100 E HN 0.080 8.363 8.360 -0.127 0.000 0.450 101 K N -1.339 119.065 120.400 0.007 0.000 2.160 101 K HA -0.299 nan 4.320 nan 0.000 0.206 101 K C 2.582 179.254 176.600 0.119 0.000 1.047 101 K CA 2.896 59.220 56.287 0.062 0.000 0.930 101 K CB -0.376 32.141 32.500 0.027 0.000 0.720 101 K HN 0.386 8.516 8.250 -0.034 0.099 0.450 102 T N 2.154 116.785 114.554 0.129 0.000 2.851 102 T HA -0.105 nan 4.350 nan 0.000 0.262 102 T C 2.417 177.209 174.700 0.153 0.000 1.043 102 T CA 4.780 67.007 62.100 0.212 0.000 1.140 102 T CB -0.271 68.810 68.868 0.355 0.000 0.872 102 T HN -0.005 8.048 8.240 0.070 0.228 0.446 103 L N 0.371 121.653 121.223 0.099 0.000 2.162 103 L HA -0.241 nan 4.340 nan 0.000 0.205 103 L C 1.768 178.654 176.870 0.026 0.000 1.086 103 L CA 2.926 57.803 54.840 0.061 0.000 0.778 103 L CB -0.518 41.580 42.059 0.064 0.000 0.928 103 L HN 0.147 8.309 8.230 0.077 0.113 0.446 104 K N -1.046 119.373 120.400 0.032 0.000 2.002 104 K HA -0.303 nan 4.320 nan 0.000 0.209 104 K C 2.811 179.421 176.600 0.016 0.000 1.048 104 K CA 3.052 59.351 56.287 0.020 0.000 0.930 104 K CB -0.578 31.940 32.500 0.030 0.000 0.714 104 K HN 0.465 8.740 8.250 0.041 0.000 0.438 105 S N -1.224 114.498 115.700 0.038 0.000 2.368 105 S HA -0.213 nan 4.470 nan 0.000 0.225 105 S C 1.014 175.622 174.600 0.013 0.000 1.030 105 S CA 2.795 61.017 58.200 0.037 0.000 0.999 105 S CB 0.289 63.532 63.200 0.070 0.000 0.844 105 S HN -0.301 8.043 8.310 0.056 0.000 0.459 106 T N -4.200 110.353 114.554 -0.003 0.000 2.995 106 T HA -0.037 nan 4.350 nan 0.000 0.269 106 T C 0.600 175.242 174.700 -0.098 0.000 1.091 106 T CA 0.843 62.898 62.100 -0.076 0.000 1.128 106 T CB -0.069 68.687 68.868 -0.187 0.000 0.891 106 T HN -0.657 7.505 8.240 0.018 0.089 0.492 107 Q N -4.337 115.422 119.800 -0.068 0.000 2.439 107 Q HA -0.391 nan 4.340 nan 0.000 0.247 107 Q C -0.987 174.950 176.000 -0.105 0.000 0.899 107 Q CA 0.877 56.636 55.803 -0.072 0.000 1.201 107 Q CB -1.692 27.010 28.738 -0.059 0.000 1.608 107 Q HN -0.161 7.931 8.270 -0.044 0.152 0.563 108 L N -0.941 120.201 121.223 -0.134 0.000 2.421 108 L HA -0.006 nan 4.340 nan 0.000 0.263 108 L C 0.038 176.804 176.870 -0.172 0.000 1.122 108 L CA 0.166 54.907 54.840 -0.166 0.000 0.804 108 L CB 0.404 42.323 42.059 -0.233 0.000 1.150 108 L HN -0.745 7.376 8.230 -0.121 0.036 0.457 109 D N 1.619 121.868 120.400 -0.252 0.000 2.084 109 D HA -0.209 nan 4.640 nan 0.000 0.194 109 D C -1.062 174.932 176.300 -0.509 0.000 0.990 109 D CA 2.734 56.447 54.000 -0.478 0.000 0.826 109 D CB 0.299 40.700 40.800 -0.665 0.000 0.971 109 D HN 0.386 8.621 8.370 -0.226 0.000 0.453 110 Y N -6.477 113.800 120.300 -0.037 0.000 2.958 110 Y HA 0.314 nan 4.550 nan 0.000 0.315 110 Y C -1.096 174.806 175.900 0.003 0.000 1.541 110 Y CA -2.003 56.082 58.100 -0.025 0.000 1.087 110 Y CB 2.705 41.143 38.460 -0.038 0.000 1.593 110 Y HN -0.712 7.479 8.280 -0.148 0.000 0.446 111 V N -4.910 115.151 119.914 0.245 0.000 2.960 111 V HA 0.344 nan 4.120 nan 0.000 0.315 111 V C -0.697 175.455 176.094 0.097 0.000 1.087 111 V CA -2.789 59.644 62.300 0.222 0.000 0.982 111 V CB 1.846 33.894 31.823 0.374 0.000 1.039 111 V HN -0.198 8.138 8.190 0.243 0.000 0.437 112 D N 1.544 121.936 120.400 -0.012 0.000 2.183 112 D HA 0.119 nan 4.640 nan 0.000 0.205 112 D C -0.482 175.643 176.300 -0.292 0.000 0.962 112 D CA 3.436 57.233 54.000 -0.339 0.000 0.849 112 D CB 0.867 41.184 40.800 -0.804 0.000 0.978 112 D HN -0.020 8.408 8.370 0.097 0.000 0.488 113 L N -2.928 118.257 121.223 -0.064 0.000 2.434 113 L HA 0.308 nan 4.340 nan 0.000 0.260 113 L C -2.627 174.332 176.870 0.148 0.000 0.983 113 L CA -0.397 54.481 54.840 0.063 0.000 0.820 113 L CB 3.924 46.086 42.059 0.173 0.000 1.361 113 L HN -0.765 7.482 8.230 0.027 0.000 0.410 114 Y N 3.886 124.192 120.300 0.009 0.000 2.442 114 Y HA 0.555 nan 4.550 nan 0.000 0.344 114 Y C -2.101 173.810 175.900 0.019 0.000 0.976 114 Y CA -1.113 56.991 58.100 0.007 0.000 1.040 114 Y CB 4.114 42.556 38.460 -0.030 0.000 1.228 114 Y HN -0.302 8.083 8.280 0.174 0.000 0.451 115 I N -2.690 117.792 120.570 -0.146 0.000 2.934 115 I HA 0.656 nan 4.170 nan 0.000 0.306 115 I C -1.598 174.565 176.117 0.077 0.000 1.110 115 I CA -2.468 58.841 61.300 0.014 0.000 1.019 115 I CB 4.579 42.565 38.000 -0.023 0.000 1.227 115 I HN -0.132 7.789 8.210 -0.482 0.000 0.434 116 I N 1.346 122.042 120.570 0.210 0.000 2.406 116 I HA -0.225 nan 4.170 nan 0.000 0.293 116 I C -0.399 175.939 176.117 0.369 0.000 1.101 116 I CA 0.838 62.361 61.300 0.371 0.000 1.334 116 I CB -0.962 37.373 38.000 0.560 0.000 1.421 116 I HN 0.010 8.351 8.210 0.218 0.000 0.513 117 H N 7.761 127.002 119.070 0.286 0.000 2.436 117 H HA -0.200 nan 4.556 nan 0.000 0.294 117 H C -0.729 174.643 175.328 0.073 0.000 1.048 117 H CA 2.427 58.604 56.048 0.214 0.000 1.353 117 H CB 1.077 31.118 29.762 0.465 0.000 1.414 117 H HN -0.075 8.487 8.280 0.471 0.000 0.536 118 F N -7.032 113.100 119.950 0.303 0.000 2.665 118 F HA 0.262 nan 4.527 nan 0.000 0.308 118 F C -2.459 173.327 175.800 -0.024 0.000 1.112 118 F CA -2.712 55.333 58.000 0.075 0.000 0.972 118 F CB 2.483 41.381 39.000 -0.171 0.000 1.295 118 F HN -0.658 7.942 8.300 0.500 0.000 0.440 119 P HA -0.162 nan 4.420 nan 0.000 0.216 119 P C -1.379 175.845 177.300 -0.127 0.000 1.153 119 P CA 1.082 64.153 63.100 -0.049 0.000 0.844 119 P CB 0.333 31.903 31.700 -0.216 0.000 0.787 120 M N -0.681 118.854 119.600 -0.109 0.000 2.504 120 M HA -0.202 nan 4.480 nan 0.000 0.378 120 M C -1.902 174.100 176.300 -0.496 0.000 1.706 120 M CA 0.615 55.755 55.300 -0.267 0.000 1.036 120 M CB 0.477 32.886 32.600 -0.319 0.000 2.129 120 M HN -0.675 7.657 8.290 0.071 0.000 0.474 121 A N 6.134 128.717 122.820 -0.395 0.000 2.331 121 A HA 0.590 nan 4.320 nan 0.000 0.320 121 A C -1.799 175.656 177.584 -0.215 0.000 1.138 121 A CA -1.376 50.412 52.037 -0.416 0.000 0.790 121 A CB 2.328 21.215 19.000 -0.189 0.000 1.206 121 A HN 0.061 8.062 8.150 -0.248 0.000 0.470 122 L N 1.388 122.456 121.223 -0.257 0.000 2.235 122 L HA 0.503 nan 4.340 nan 0.000 0.260 122 L C -0.738 176.061 176.870 -0.119 0.000 1.025 122 L CA -2.142 52.623 54.840 -0.124 0.000 0.836 122 L CB 3.037 45.004 42.059 -0.155 0.000 1.395 122 L HN 0.104 8.016 8.230 -0.348 0.108 0.443 123 Q N 0.366 120.118 119.800 -0.080 0.000 2.354 123 Q HA 0.140 nan 4.340 nan 0.000 0.244 123 Q C -1.724 174.190 176.000 -0.145 0.000 0.969 123 Q CA -1.872 53.873 55.803 -0.096 0.000 0.885 123 Q CB 0.661 29.357 28.738 -0.069 0.000 1.241 123 Q HN 0.015 8.256 8.270 -0.048 0.000 0.461 124 P HA -0.020 nan 4.420 nan 0.000 0.264 124 P C -1.097 176.093 177.300 -0.185 0.000 1.193 124 P CA 0.418 63.345 63.100 -0.289 0.000 0.763 124 P CB 0.314 31.852 31.700 -0.269 0.000 0.810 125 G N 4.110 112.789 108.800 -0.202 0.000 2.317 125 G HA2 -0.064 nan 3.960 nan 0.000 0.293 125 G HA3 -0.064 nan 3.960 nan 0.000 0.293 125 G C -1.324 173.626 174.900 0.083 0.000 1.287 125 G CA -0.231 44.848 45.100 -0.035 0.000 0.850 125 G HN -0.265 7.808 8.290 -0.361 0.000 0.515 126 D N -1.478 119.022 120.400 0.168 0.000 2.249 126 D HA 0.008 nan 4.640 nan 0.000 0.205 126 D C 0.252 176.790 176.300 0.397 0.000 0.962 126 D CA 0.593 54.762 54.000 0.282 0.000 0.860 126 D CB 0.544 41.451 40.800 0.178 0.000 0.955 126 D HN 0.145 8.584 8.370 0.116 0.000 0.505 127 I N -3.540 117.229 120.570 0.332 0.000 2.330 127 I HA 0.072 nan 4.170 nan 0.000 0.289 127 I C -0.380 176.050 176.117 0.521 0.000 1.001 127 I CA -1.060 60.462 61.300 0.369 0.000 1.193 127 I CB -0.133 37.998 38.000 0.218 0.000 1.345 127 I HN -0.581 7.774 8.210 0.242 0.000 0.461 128 F N 5.691 125.779 119.950 0.230 0.000 2.583 128 F HA -0.197 nan 4.527 nan 0.000 0.297 128 F C -0.508 175.464 175.800 0.287 0.000 1.131 128 F CA 0.304 58.491 58.000 0.312 0.000 1.467 128 F CB -0.151 38.931 39.000 0.136 0.000 1.097 128 F HN 0.541 9.303 8.300 0.769 0.000 0.586 129 F N -1.170 119.010 119.950 0.382 0.000 3.094 129 F HA 0.241 nan 4.527 nan 0.000 0.385 129 F C -2.405 173.495 175.800 0.166 0.000 1.231 129 F CA -2.797 55.357 58.000 0.256 0.000 1.207 129 F CB 1.420 40.541 39.000 0.203 0.000 1.703 129 F HN -0.568 7.974 8.300 0.517 0.068 0.610 130 P HA 0.233 nan 4.420 nan 0.000 0.266 130 P C -1.175 176.207 177.300 0.137 0.000 1.586 130 P CA -0.598 62.601 63.100 0.165 0.000 1.088 130 P CB -0.318 31.446 31.700 0.107 0.000 1.584 131 R N 3.367 123.946 120.500 0.132 0.000 2.490 131 R HA 0.052 nan 4.340 nan 0.000 0.280 131 R C 0.111 176.423 176.300 0.019 0.000 1.077 131 R CA -0.942 55.218 56.100 0.101 0.000 1.065 131 R CB 0.440 30.800 30.300 0.099 0.000 1.003 131 R HN -0.177 8.174 8.270 0.135 0.000 0.470 132 D N 3.054 123.447 120.400 -0.013 0.000 2.662 132 D HA -0.191 nan 4.640 nan 0.000 0.228 132 D C 0.107 176.209 176.300 -0.330 0.000 1.090 132 D CA 0.741 54.674 54.000 -0.113 0.000 1.118 132 D CB -1.568 39.191 40.800 -0.069 0.000 1.129 132 D HN 0.036 8.429 8.370 0.038 0.000 0.472 133 E N -2.922 117.125 120.200 -0.254 0.000 5.006 133 E HA -0.524 nan 4.350 nan 0.000 0.214 133 E C -1.376 175.097 176.600 -0.211 0.000 0.970 133 E CA 2.905 59.128 56.400 -0.294 0.000 1.705 133 E CB -1.146 28.269 29.700 -0.475 0.000 1.789 133 E HN 0.658 8.909 8.360 -0.133 0.029 0.384 134 H N -6.931 112.161 119.070 0.036 0.000 2.954 134 H HA 0.043 nan 4.556 nan 0.000 0.262 134 H C -0.239 175.116 175.328 0.045 0.000 1.515 134 H CA -1.495 54.575 56.048 0.036 0.000 1.179 134 H CB 1.744 31.522 29.762 0.027 0.000 1.888 134 H HN -0.596 7.409 8.280 -0.330 0.077 0.645 135 G N 0.335 109.323 108.800 0.315 0.000 2.574 135 G HA2 -0.417 nan 3.960 nan 0.000 0.301 135 G HA3 -0.417 nan 3.960 nan 0.000 0.301 135 G C -0.982 174.012 174.900 0.157 0.000 1.166 135 G CA 0.883 46.109 45.100 0.209 0.000 0.971 135 G HN 0.274 8.711 8.290 0.246 0.000 0.542 136 K N 1.079 121.580 120.400 0.168 0.000 1.932 136 K HA 0.387 nan 4.320 nan 0.000 0.262 136 K C -1.172 175.535 176.600 0.178 0.000 0.987 136 K CA -1.299 55.087 56.287 0.165 0.000 1.217 136 K CB 2.280 34.890 32.500 0.185 0.000 2.659 136 K HN -0.374 8.143 8.250 0.186 -0.155 0.982 137 L N -2.090 119.271 121.223 0.231 0.000 2.322 137 L HA 0.558 nan 4.340 nan 0.000 0.269 137 L C -0.636 176.356 176.870 0.203 0.000 1.012 137 L CA -1.525 53.440 54.840 0.209 0.000 0.815 137 L CB 1.426 43.626 42.059 0.234 0.000 1.295 137 L HN -0.086 8.320 8.230 0.294 0.000 0.438 138 L N 1.787 123.059 121.223 0.082 0.000 2.500 138 L HA -0.071 nan 4.340 nan 0.000 0.272 138 L C -1.101 175.792 176.870 0.038 0.000 1.149 138 L CA 0.523 55.341 54.840 -0.037 0.000 0.897 138 L CB -0.564 41.467 42.059 -0.047 0.000 1.178 138 L HN -0.019 8.261 8.230 0.083 0.000 0.473 139 F N 1.607 121.535 119.950 -0.036 0.000 2.480 139 F HA 0.472 nan 4.527 nan 0.000 0.329 139 F C -1.461 174.305 175.800 -0.057 0.000 1.091 139 F CA -3.245 54.717 58.000 -0.064 0.000 0.972 139 F CB 2.016 40.979 39.000 -0.063 0.000 1.150 139 F HN -0.350 7.594 8.300 -0.593 0.000 0.467 140 E N 1.374 121.622 120.200 0.080 0.000 2.256 140 E HA 0.279 nan 4.350 nan 0.000 0.267 140 E C -0.378 176.266 176.600 0.072 0.000 0.892 140 E CA -1.804 54.611 56.400 0.024 0.000 0.775 140 E CB 3.916 33.599 29.700 -0.028 0.000 1.207 140 E HN -0.091 8.314 8.360 0.075 0.000 0.420 141 T N 0.792 115.386 114.554 0.067 0.000 2.855 141 T HA 0.086 nan 4.350 nan 0.000 0.290 141 T C 0.397 175.125 174.700 0.047 0.000 0.941 141 T CA -0.384 61.758 62.100 0.071 0.000 1.030 141 T CB -1.177 67.731 68.868 0.068 0.000 0.935 141 T HN 0.352 8.617 8.240 0.040 0.000 0.564 142 V N 4.948 124.898 119.914 0.061 0.000 3.302 142 V HA 0.363 nan 4.120 nan 0.000 0.316 142 V C -1.570 174.568 176.094 0.073 0.000 1.111 142 V CA -1.588 60.748 62.300 0.059 0.000 1.029 142 V CB 2.213 34.077 31.823 0.069 0.000 1.170 142 V HN -0.093 8.141 8.190 0.074 0.000 0.452 143 D N -0.915 119.523 120.400 0.063 0.000 2.350 143 D HA 0.208 nan 4.640 nan 0.000 0.245 143 D C -0.168 176.181 176.300 0.081 0.000 1.036 143 D CA -1.405 52.634 54.000 0.065 0.000 0.848 143 D CB 2.896 43.726 40.800 0.049 0.000 1.307 143 D HN -0.095 8.303 8.370 0.047 0.000 0.469 144 I N 2.791 123.420 120.570 0.098 0.000 2.142 144 I HA -0.350 nan 4.170 nan 0.000 0.240 144 I C 1.081 177.314 176.117 0.193 0.000 1.078 144 I CA 2.930 64.316 61.300 0.144 0.000 1.343 144 I CB 0.513 38.566 38.000 0.088 0.000 1.046 144 I HN 0.403 8.660 8.210 0.078 0.000 0.405 145 C N -0.978 118.419 119.300 0.161 0.000 2.403 145 C HA -0.367 nan 4.460 nan 0.000 0.279 145 C C 2.063 177.161 174.990 0.180 0.000 1.269 145 C CA 3.562 62.692 59.018 0.188 0.000 1.774 145 C CB -2.113 25.698 27.740 0.119 0.000 1.993 145 C HN -0.117 8.333 8.230 0.120 -0.148 0.496 146 D N -1.012 119.452 120.400 0.107 0.000 2.162 146 D HA -0.079 nan 4.640 nan 0.000 0.203 146 D C 2.326 178.634 176.300 0.013 0.000 0.967 146 D CA 3.616 57.647 54.000 0.051 0.000 0.840 146 D CB 0.000 40.817 40.800 0.028 0.000 0.972 146 D HN -0.365 7.952 8.370 0.099 0.112 0.482 147 T N 1.961 116.519 114.554 0.008 0.000 2.857 147 T HA -0.166 nan 4.350 nan 0.000 0.266 147 T C 1.010 175.685 174.700 -0.042 0.000 1.048 147 T CA 4.118 66.166 62.100 -0.086 0.000 1.139 147 T CB -0.328 68.386 68.868 -0.257 0.000 0.874 147 T HN -0.104 8.156 8.240 0.033 0.000 0.455 148 W N 1.028 122.328 121.300 -0.000 0.000 2.381 148 W HA -0.356 nan 4.660 nan 0.000 0.301 148 W C 0.921 177.441 176.519 0.001 0.000 1.205 148 W CA 2.846 60.205 57.345 0.023 0.000 1.285 148 W CB 0.569 30.061 29.460 0.055 0.000 1.133 148 W HN -0.033 8.258 8.180 0.288 0.062 0.521 149 E N -1.411 118.781 120.200 -0.015 0.000 2.033 149 E HA -0.510 nan 4.350 nan 0.000 0.199 149 E C 2.054 178.550 176.600 -0.173 0.000 1.011 149 E CA 3.309 59.668 56.400 -0.068 0.000 0.815 149 E CB -0.245 29.444 29.700 -0.017 0.000 0.755 149 E HN 0.079 8.396 8.360 0.118 0.113 0.451 150 A N -4.252 118.478 122.820 -0.150 0.000 2.259 150 A HA -0.137 nan 4.320 nan 0.000 0.212 150 A C 0.898 178.342 177.584 -0.234 0.000 1.178 150 A CA 1.969 53.907 52.037 -0.164 0.000 0.734 150 A CB -0.501 18.427 19.000 -0.120 0.000 0.774 150 A HN -0.121 7.857 8.150 -0.101 0.111 0.481 151 M N -2.187 117.187 119.600 -0.376 0.000 2.556 151 M HA -0.013 nan 4.480 nan 0.000 0.259 151 M C 1.730 177.781 176.300 -0.414 0.000 1.175 151 M CA 1.979 56.999 55.300 -0.467 0.000 1.202 151 M CB 1.222 33.322 32.600 -0.834 0.000 1.298 151 M HN -0.342 7.455 8.290 -0.439 0.230 0.492 152 E N 0.274 120.190 120.200 -0.473 0.000 2.097 152 E HA -0.515 nan 4.350 nan 0.000 0.196 152 E C 2.265 178.817 176.600 -0.080 0.000 1.000 152 E CA 3.371 59.665 56.400 -0.176 0.000 0.804 152 E CB -0.530 29.030 29.700 -0.233 0.000 0.740 152 E HN -0.072 7.885 8.360 -0.672 0.000 0.454 153 K N -1.802 118.499 120.400 -0.165 0.000 2.059 153 K HA -0.311 nan 4.320 nan 0.000 0.212 153 K C 2.373 178.916 176.600 -0.094 0.000 1.050 153 K CA 2.907 59.117 56.287 -0.130 0.000 0.927 153 K CB -0.645 31.774 32.500 -0.134 0.000 0.714 153 K HN -0.530 7.576 8.250 -0.214 0.016 0.447 154 C N -1.829 117.395 119.300 -0.127 0.000 2.422 154 C HA -0.144 nan 4.460 nan 0.000 0.279 154 C C 1.669 176.586 174.990 -0.121 0.000 1.305 154 C CA 3.112 62.043 59.018 -0.146 0.000 1.757 154 C CB -1.848 25.763 27.740 -0.215 0.000 1.962 154 C HN -0.233 7.894 8.230 -0.161 0.007 0.499 155 K N 0.403 120.773 120.400 -0.049 0.000 2.007 155 K HA -0.256 nan 4.320 nan 0.000 0.206 155 K C 2.181 178.785 176.600 0.007 0.000 1.047 155 K CA 2.394 58.648 56.287 -0.054 0.000 0.937 155 K CB -0.837 31.613 32.500 -0.083 0.000 0.718 155 K HN -0.379 7.758 8.250 -0.017 0.103 0.438 156 D N 0.356 120.905 120.400 0.248 0.000 2.190 156 D HA -0.222 nan 4.640 nan 0.000 0.200 156 D C 1.347 177.649 176.300 0.004 0.000 0.992 156 D CA 2.703 56.815 54.000 0.187 0.000 0.854 156 D CB -0.104 40.783 40.800 0.144 0.000 0.936 156 D HN -0.364 8.249 8.370 0.406 0.000 0.462 157 A N -3.246 119.542 122.820 -0.055 0.000 2.302 157 A HA 0.068 nan 4.320 nan 0.000 0.219 157 A C 0.463 177.939 177.584 -0.179 0.000 1.243 157 A CA -0.120 51.854 52.037 -0.105 0.000 0.856 157 A CB -0.289 18.645 19.000 -0.110 0.000 0.893 157 A HN -0.172 7.808 8.150 -0.045 0.143 0.491 158 G N -1.636 107.030 108.800 -0.224 0.000 2.196 158 G HA2 -0.346 nan 3.960 nan 0.000 0.268 158 G HA3 -0.346 nan 3.960 nan 0.000 0.268 158 G C 0.164 174.643 174.900 -0.702 0.000 0.975 158 G CA 0.964 45.822 45.100 -0.405 0.000 0.648 158 G HN -0.005 7.988 8.290 -0.161 0.200 0.538 159 L N -0.576 120.384 121.223 -0.438 0.000 2.341 159 L HA -0.011 nan 4.340 nan 0.000 0.214 159 L C -2.029 174.711 176.870 -0.216 0.000 1.115 159 L CA 1.006 55.635 54.840 -0.353 0.000 0.820 159 L CB 0.752 42.690 42.059 -0.202 0.000 0.944 159 L HN -0.430 7.543 8.230 -0.300 0.078 0.452 160 A N -4.794 117.907 122.820 -0.199 0.000 2.547 160 A HA 0.141 nan 4.320 nan 0.000 0.279 160 A C -0.925 176.596 177.584 -0.104 0.000 1.088 160 A CA -0.284 51.708 52.037 -0.076 0.000 0.796 160 A CB 0.727 19.702 19.000 -0.042 0.000 1.308 160 A HN -0.940 7.069 8.150 -0.235 0.000 0.415 161 K N 2.818 123.158 120.400 -0.101 0.000 2.334 161 K HA -0.341 nan 4.320 nan 0.000 0.204 161 K C -1.023 175.480 176.600 -0.161 0.000 1.043 161 K CA 1.837 58.040 56.287 -0.140 0.000 0.933 161 K CB 0.403 32.816 32.500 -0.145 0.000 0.734 161 K HN 0.675 8.895 8.250 -0.049 0.000 0.479 162 S N -6.361 109.266 115.700 -0.121 0.000 2.615 162 S HA 0.298 nan 4.470 nan 0.000 0.268 162 S C -2.121 172.473 174.600 -0.011 0.000 1.146 162 S CA -0.262 57.882 58.200 -0.093 0.000 0.818 162 S CB 3.410 66.571 63.200 -0.064 0.000 1.111 162 S HN -0.570 7.630 8.310 -0.085 0.058 0.465 163 I N -3.632 116.962 120.570 0.040 0.000 2.846 163 I HA 0.968 nan 4.170 nan 0.000 0.307 163 I C -1.133 175.147 176.117 0.273 0.000 1.053 163 I CA -2.999 58.353 61.300 0.088 0.000 1.050 163 I CB 2.505 40.445 38.000 -0.100 0.000 1.239 163 I HN -0.092 8.149 8.210 0.052 0.000 0.439 164 G N -0.660 108.344 108.800 0.341 0.000 2.619 164 G HA2 0.574 nan 3.960 nan 0.000 0.305 164 G HA3 0.574 nan 3.960 nan 0.000 0.305 164 G C -2.379 172.666 174.900 0.242 0.000 1.330 164 G CA -0.132 45.157 45.100 0.316 0.000 0.789 164 G HN -0.128 8.309 8.290 0.244 0.000 0.487 165 V N -6.546 113.311 119.914 -0.096 0.000 3.352 165 V HA 1.066 nan 4.120 nan 0.000 0.299 165 V C -1.242 174.737 176.094 -0.192 0.000 1.228 165 V CA -3.373 58.702 62.300 -0.374 0.000 1.017 165 V CB 2.290 33.263 31.823 -1.416 0.000 1.237 165 V HN 0.445 8.548 8.190 -0.146 0.000 0.472 166 S N -0.769 114.883 115.700 -0.079 0.000 2.578 166 S HA 0.162 nan 4.470 nan 0.000 0.285 166 S C -1.120 173.642 174.600 0.270 0.000 1.126 166 S CA 0.044 58.291 58.200 0.079 0.000 0.878 166 S CB 2.667 65.880 63.200 0.023 0.000 1.091 166 S HN -0.299 7.995 8.310 -0.027 0.000 0.450 167 N N -0.222 118.578 118.700 0.166 0.000 2.708 167 N HA -0.410 nan 4.740 nan 0.000 0.249 167 N C -0.952 174.708 175.510 0.248 0.000 1.097 167 N CA 2.013 55.135 53.050 0.120 0.000 0.710 167 N CB -0.456 37.943 38.487 -0.146 0.000 1.032 167 N HN 0.153 8.612 8.380 0.132 0.000 0.551 168 F N -2.647 117.308 119.950 0.008 0.000 2.399 168 F HA 0.097 nan 4.527 nan 0.000 0.328 168 F C -0.455 175.362 175.800 0.029 0.000 1.084 168 F CA -1.262 56.754 58.000 0.026 0.000 1.053 168 F CB 1.146 40.165 39.000 0.031 0.000 1.209 168 F HN -0.815 7.929 8.300 0.439 -0.180 0.502 169 N N 0.893 119.711 118.700 0.197 0.000 2.328 169 N HA 0.182 nan 4.740 nan 0.000 0.299 169 N C 0.675 176.239 175.510 0.091 0.000 1.179 169 N CA -1.628 51.486 53.050 0.107 0.000 0.793 169 N CB 3.423 41.927 38.487 0.028 0.000 1.366 169 N HN -0.132 8.579 8.380 0.128 -0.254 0.493 170 C N 3.124 122.412 119.300 -0.021 0.000 2.413 170 C HA -0.480 nan 4.460 nan 0.000 0.270 170 C C 1.582 176.480 174.990 -0.152 0.000 1.099 170 C CA 3.053 61.886 59.018 -0.308 0.000 1.888 170 C CB -0.968 26.439 27.740 -0.555 0.000 2.255 170 C HN 1.013 9.236 8.230 -0.011 0.000 0.463 171 R N -0.345 120.113 120.500 -0.069 0.000 2.066 171 R HA -0.220 nan 4.340 nan 0.000 0.224 171 R C 2.049 178.360 176.300 0.018 0.000 1.122 171 R CA 2.979 59.059 56.100 -0.032 0.000 0.974 171 R CB -0.095 30.179 30.300 -0.044 0.000 0.871 171 R HN -0.050 8.487 8.270 -0.068 -0.308 0.435 172 Q N -0.622 119.194 119.800 0.026 0.000 2.297 172 Q HA -0.222 nan 4.340 nan 0.000 0.204 172 Q C 2.709 178.862 176.000 0.255 0.000 0.962 172 Q CA 2.860 58.674 55.803 0.018 0.000 0.879 172 Q CB -0.269 28.311 28.738 -0.263 0.000 0.947 172 Q HN -0.166 8.115 8.270 0.018 0.000 0.462 173 L N -0.287 121.113 121.223 0.295 0.000 2.023 173 L HA -0.262 nan 4.340 nan 0.000 0.205 173 L C 1.330 178.296 176.870 0.159 0.000 1.073 173 L CA 2.786 57.801 54.840 0.292 0.000 0.745 173 L CB -0.309 41.957 42.059 0.346 0.000 0.900 173 L HN 0.379 8.683 8.230 0.210 0.052 0.435 174 E N -1.608 118.709 120.200 0.194 0.000 2.118 174 E HA -0.452 nan 4.350 nan 0.000 0.195 174 E C 1.985 178.625 176.600 0.067 0.000 0.992 174 E CA 3.230 59.717 56.400 0.145 0.000 0.804 174 E CB -0.158 29.620 29.700 0.130 0.000 0.741 174 E HN -0.753 7.736 8.360 0.215 0.000 0.458 175 R N -1.562 118.978 120.500 0.067 0.000 2.062 175 R HA -0.192 nan 4.340 nan 0.000 0.231 175 R C 2.724 179.041 176.300 0.029 0.000 1.136 175 R CA 2.017 58.146 56.100 0.048 0.000 0.948 175 R CB -1.069 29.263 30.300 0.052 0.000 0.845 175 R HN -0.831 7.476 8.270 0.088 0.016 0.430 176 I N -0.662 119.922 120.570 0.024 0.000 2.143 176 I HA -0.383 nan 4.170 nan 0.000 0.245 176 I C 1.846 177.847 176.117 -0.193 0.000 1.068 176 I CA 3.179 64.418 61.300 -0.102 0.000 1.326 176 I CB -0.931 36.902 38.000 -0.280 0.000 1.028 176 I HN -0.596 7.666 8.210 0.087 0.000 0.412 177 L N -3.016 118.111 121.223 -0.160 0.000 2.554 177 L HA -0.061 nan 4.340 nan 0.000 0.226 177 L C 0.552 177.393 176.870 -0.049 0.000 1.137 177 L CA 1.567 56.330 54.840 -0.129 0.000 0.863 177 L CB 0.441 42.417 42.059 -0.139 0.000 0.985 177 L HN -0.497 7.639 8.230 -0.115 0.025 0.451 178 N N -2.815 115.874 118.700 -0.019 0.000 2.294 178 N HA 0.032 nan 4.740 nan 0.000 0.186 178 N C -0.379 175.138 175.510 0.011 0.000 1.107 178 N CA 0.503 53.555 53.050 0.003 0.000 0.884 178 N CB 1.318 39.815 38.487 0.015 0.000 1.030 178 N HN -0.227 7.948 8.380 -0.018 0.194 0.482 179 K N 3.466 123.877 120.400 0.018 0.000 2.380 179 K HA 0.150 nan 4.320 nan 0.000 0.267 179 K C -1.835 174.784 176.600 0.031 0.000 0.990 179 K CA -0.933 55.374 56.287 0.034 0.000 0.946 179 K CB -0.708 31.828 32.500 0.060 0.000 0.937 179 K HN -0.829 7.426 8.250 0.008 0.000 0.491 180 P HA -0.207 nan 4.420 nan 0.000 0.263 180 P C 0.030 177.345 177.300 0.025 0.000 1.168 180 P CA 1.394 64.507 63.100 0.022 0.000 0.759 180 P CB -0.102 31.610 31.700 0.019 0.000 0.782 181 G N 1.717 110.526 108.800 0.016 0.000 2.379 181 G HA2 -0.454 nan 3.960 nan 0.000 0.297 181 G HA3 -0.454 nan 3.960 nan 0.000 0.297 181 G C -0.013 174.898 174.900 0.019 0.000 1.004 181 G CA 0.247 45.353 45.100 0.009 0.000 0.921 181 G HN 0.265 8.562 8.290 0.012 0.000 0.511 182 L N -2.530 118.718 121.223 0.042 0.000 2.506 182 L HA -0.128 nan 4.340 nan 0.000 0.281 182 L C -0.322 176.577 176.870 0.047 0.000 1.228 182 L CA 0.725 55.615 54.840 0.082 0.000 0.850 182 L CB 0.622 42.725 42.059 0.074 0.000 1.110 182 L HN -0.723 7.491 8.230 0.037 0.038 0.496 183 K N 4.153 124.584 120.400 0.051 0.000 2.431 183 K HA 0.031 nan 4.320 nan 0.000 0.213 183 K C -1.191 175.478 176.600 0.115 0.000 1.258 183 K CA -0.373 55.880 56.287 -0.056 0.000 0.845 183 K CB 1.752 34.062 32.500 -0.317 0.000 1.498 183 K HN -0.306 8.296 8.250 0.130 -0.274 0.451 184 Y N -0.572 119.817 120.300 0.148 0.000 2.404 184 Y HA 0.112 nan 4.550 nan 0.000 0.344 184 Y C -1.181 174.897 175.900 0.298 0.000 0.970 184 Y CA -2.765 55.429 58.100 0.156 0.000 1.180 184 Y CB -0.130 38.388 38.460 0.097 0.000 1.138 184 Y HN -0.289 8.099 8.280 0.180 0.000 0.510 185 K N 5.074 125.665 120.400 0.318 0.000 2.154 185 K HA 0.284 nan 4.320 nan 0.000 0.264 185 K C -1.654 175.030 176.600 0.140 0.000 1.008 185 K CA -3.114 53.265 56.287 0.153 0.000 0.937 185 K CB 0.502 33.016 32.500 0.022 0.000 1.002 185 K HN 0.220 8.620 8.250 0.250 0.000 0.469 186 P HA -0.195 nan 4.420 nan 0.000 0.263 186 P C -1.046 176.220 177.300 -0.057 0.000 1.175 186 P CA 0.352 63.356 63.100 -0.160 0.000 0.761 186 P CB 0.272 31.677 31.700 -0.491 0.000 0.794 187 V N -2.742 117.179 119.914 0.011 0.000 2.543 187 V HA 0.122 nan 4.120 nan 0.000 0.232 187 V C -0.510 175.562 176.094 -0.038 0.000 1.087 187 V CA 0.625 62.920 62.300 -0.007 0.000 1.113 187 V CB 0.680 32.526 31.823 0.038 0.000 0.779 187 V HN 0.180 8.427 8.190 0.096 0.000 0.495 188 C N -3.167 116.122 119.300 -0.018 0.000 2.401 188 C HA 0.577 nan 4.460 nan 0.000 0.356 188 C C -1.685 173.268 174.990 -0.063 0.000 1.192 188 C CA -3.767 55.233 59.018 -0.029 0.000 2.028 188 C CB 2.758 30.501 27.740 0.005 0.000 2.344 188 C HN -0.455 7.783 8.230 0.013 0.000 0.525 189 N N -0.115 118.558 118.700 -0.045 0.000 2.609 189 N HA 0.127 nan 4.740 nan 0.000 0.268 189 N C -1.444 174.078 175.510 0.019 0.000 1.106 189 N CA -0.422 52.602 53.050 -0.042 0.000 0.823 189 N CB 1.379 39.840 38.487 -0.043 0.000 1.263 189 N HN -0.092 8.270 8.380 -0.029 0.000 0.533 190 Q N 5.990 125.815 119.800 0.040 0.000 2.815 190 Q HA -0.026 nan 4.340 nan 0.000 0.235 190 Q C -1.418 174.698 176.000 0.192 0.000 1.354 190 Q CA 0.021 55.888 55.803 0.106 0.000 0.953 190 Q CB -0.383 28.395 28.738 0.066 0.000 1.613 190 Q HN 0.312 8.589 8.270 0.012 0.000 0.572 191 V N 2.354 122.349 119.914 0.136 0.000 3.234 191 V HA 0.174 nan 4.120 nan 0.000 0.317 191 V C -2.338 173.722 176.094 -0.058 0.000 1.081 191 V CA -2.905 59.464 62.300 0.115 0.000 1.037 191 V CB 3.057 34.906 31.823 0.044 0.000 1.148 191 V HN -0.131 8.076 8.190 0.080 0.031 0.453 192 E N 0.697 120.677 120.200 -0.366 0.000 2.197 192 E HA 0.315 nan 4.350 nan 0.000 0.281 192 E C -1.519 174.758 176.600 -0.537 0.000 0.995 192 E CA -0.540 55.361 56.400 -0.832 0.000 0.808 192 E CB 1.113 30.099 29.700 -1.190 0.000 1.093 192 E HN 0.200 8.411 8.360 -0.248 0.000 0.394 193 C N 6.703 125.703 119.300 -0.499 0.000 3.173 193 C HA 0.658 nan 4.460 nan 0.000 0.310 193 C C -2.359 172.492 174.990 -0.231 0.000 1.306 193 C CA -1.535 57.300 59.018 -0.305 0.000 1.426 193 C CB 3.047 30.711 27.740 -0.128 0.000 1.800 193 C HN -0.011 7.903 8.230 -0.527 0.000 0.470 194 H N -2.122 116.897 119.070 -0.084 0.000 2.882 194 H HA 0.151 nan 4.556 nan 0.000 0.258 194 H C -0.286 175.065 175.328 0.038 0.000 1.435 194 H CA -1.131 54.890 56.048 -0.045 0.000 1.190 194 H CB 0.433 30.091 29.762 -0.173 0.000 1.800 194 H HN 0.336 8.626 8.280 0.171 0.093 0.452 195 L N -2.471 118.813 121.223 0.103 0.000 2.450 195 L HA -0.346 nan 4.340 nan 0.000 0.225 195 L C 0.086 177.038 176.870 0.136 0.000 1.145 195 L CA 3.095 57.973 54.840 0.063 0.000 0.801 195 L CB 0.120 42.162 42.059 -0.028 0.000 0.924 195 L HN 0.796 9.070 8.230 0.073 0.000 0.447 196 Y N -6.441 113.661 120.300 -0.330 0.000 2.531 196 Y HA 0.168 nan 4.550 nan 0.000 0.249 196 Y C -1.238 174.605 175.900 -0.095 0.000 1.168 196 Y CA -2.174 55.764 58.100 -0.270 0.000 1.226 196 Y CB 0.728 38.910 38.460 -0.463 0.000 1.177 196 Y HN -0.575 7.462 8.280 -0.264 0.084 0.527 197 L N 0.130 121.467 121.223 0.191 0.000 2.932 197 L HA 0.091 nan 4.340 nan 0.000 0.225 197 L C -3.231 173.740 176.870 0.168 0.000 1.056 197 L CA 1.029 55.962 54.840 0.156 0.000 1.130 197 L CB 0.165 42.301 42.059 0.129 0.000 1.367 197 L HN -0.312 7.983 8.230 0.221 0.068 0.627 198 N N 2.370 121.152 118.700 0.135 0.000 2.800 198 N HA 0.183 nan 4.740 nan 0.000 0.240 198 N C -0.944 174.610 175.510 0.073 0.000 1.096 198 N CA -1.503 51.625 53.050 0.130 0.000 0.877 198 N CB 0.101 38.738 38.487 0.250 0.000 1.138 198 N HN -0.174 8.277 8.380 0.119 0.000 0.509 199 Q N 4.028 123.847 119.800 0.031 0.000 2.337 199 Q HA -0.060 nan 4.340 nan 0.000 0.255 199 Q C 0.489 176.507 176.000 0.030 0.000 1.205 199 Q CA 0.197 56.017 55.803 0.027 0.000 0.902 199 Q CB -1.483 27.266 28.738 0.017 0.000 1.433 199 Q HN -0.022 8.253 8.270 0.008 0.000 0.471 200 S N 6.961 122.685 115.700 0.039 0.000 2.399 200 S HA -0.389 nan 4.470 nan 0.000 0.231 200 S C 1.128 175.751 174.600 0.038 0.000 1.022 200 S CA 3.771 61.993 58.200 0.037 0.000 0.983 200 S CB -0.165 63.062 63.200 0.045 0.000 0.803 200 S HN 0.350 8.656 8.310 0.049 0.034 0.480 201 K N -0.105 120.318 120.400 0.038 0.000 2.305 201 K HA -0.106 nan 4.320 nan 0.000 0.199 201 K C 0.344 176.989 176.600 0.075 0.000 1.047 201 K CA 1.663 57.975 56.287 0.043 0.000 0.976 201 K CB -0.419 32.091 32.500 0.017 0.000 0.765 201 K HN -0.108 8.144 8.250 0.034 0.019 0.474 202 M N -0.904 118.740 119.600 0.074 0.000 2.394 202 M HA -0.093 nan 4.480 nan 0.000 0.266 202 M C 1.523 177.891 176.300 0.113 0.000 1.098 202 M CA 0.672 56.047 55.300 0.126 0.000 1.149 202 M CB 0.413 33.065 32.600 0.088 0.000 1.369 202 M HN -0.622 7.535 8.290 0.050 0.163 0.450 203 L N 1.088 122.345 121.223 0.056 0.000 2.005 203 L HA -0.217 nan 4.340 nan 0.000 0.207 203 L C 1.809 178.699 176.870 0.034 0.000 1.072 203 L CA 3.100 57.953 54.840 0.023 0.000 0.744 203 L CB -0.199 41.859 42.059 -0.002 0.000 0.895 203 L HN 0.147 8.404 8.230 0.045 0.000 0.433 204 D N -0.863 119.570 120.400 0.054 0.000 2.934 204 D HA -0.055 nan 4.640 nan 0.000 0.237 204 D C -1.019 175.364 176.300 0.138 0.000 1.158 204 D CA 1.542 55.579 54.000 0.062 0.000 0.971 204 D CB -1.534 39.296 40.800 0.050 0.000 1.123 204 D HN -0.078 8.324 8.370 0.053 0.000 0.467 205 Y N -2.178 118.113 120.300 -0.014 0.000 2.957 205 Y HA 0.047 nan 4.550 nan 0.000 0.243 205 Y C -0.431 175.456 175.900 -0.021 0.000 1.075 205 Y CA 2.209 60.300 58.100 -0.014 0.000 1.331 205 Y CB 0.828 39.282 38.460 -0.010 0.000 1.401 205 Y HN -0.161 8.061 8.280 0.067 0.098 0.475 206 C N 1.490 120.654 119.300 -0.226 0.000 2.413 206 C HA -0.457 nan 4.460 nan 0.000 0.277 206 C C 2.047 176.886 174.990 -0.251 0.000 1.228 206 C CA 5.322 64.176 59.018 -0.274 0.000 1.731 206 C CB -1.024 26.660 27.740 -0.093 0.000 2.042 206 C HN 0.660 8.787 8.230 0.011 0.110 0.468 207 K N -1.952 118.358 120.400 -0.150 0.000 2.097 207 K HA -0.367 nan 4.320 nan 0.000 0.206 207 K C 2.629 179.151 176.600 -0.129 0.000 1.049 207 K CA 3.276 59.495 56.287 -0.112 0.000 0.933 207 K CB -0.566 31.895 32.500 -0.065 0.000 0.717 207 K HN -0.462 7.726 8.250 -0.103 0.000 0.442 208 S N -0.935 114.670 115.700 -0.158 0.000 2.383 208 S HA -0.211 nan 4.470 nan 0.000 0.229 208 S C 0.916 175.413 174.600 -0.173 0.000 1.030 208 S CA 2.867 60.986 58.200 -0.136 0.000 1.002 208 S CB -0.004 63.126 63.200 -0.117 0.000 0.829 208 S HN -0.510 7.540 8.310 -0.185 0.150 0.467 209 K N -0.805 119.433 120.400 -0.269 0.000 2.965 209 K HA 0.141 nan 4.320 nan 0.000 0.216 209 K C -1.269 175.223 176.600 -0.181 0.000 1.164 209 K CA -1.279 54.873 56.287 -0.226 0.000 1.153 209 K CB -0.483 31.833 32.500 -0.307 0.000 1.045 209 K HN -0.493 7.421 8.250 -0.369 0.115 0.460 210 D N -2.730 117.586 120.400 -0.140 0.000 2.978 210 D HA -0.428 nan 4.640 nan 0.000 0.226 210 D C -0.423 175.811 176.300 -0.111 0.000 1.189 210 D CA 1.833 55.769 54.000 -0.106 0.000 0.810 210 D CB -0.550 40.201 40.800 -0.081 0.000 1.096 210 D HN -0.245 7.959 8.370 -0.133 0.086 0.414 211 I N -1.077 119.405 120.570 -0.146 0.000 2.379 211 I HA -0.139 nan 4.170 nan 0.000 0.290 211 I C -0.034 176.026 176.117 -0.096 0.000 1.063 211 I CA -0.147 61.073 61.300 -0.134 0.000 1.351 211 I CB 0.274 38.162 38.000 -0.187 0.000 1.410 211 I HN -0.470 7.482 8.210 -0.187 0.145 0.505 212 I N 4.304 124.832 120.570 -0.069 0.000 2.347 212 I HA 0.126 nan 4.170 nan 0.000 0.294 212 I C -1.222 174.874 176.117 -0.036 0.000 1.090 212 I CA -0.993 60.278 61.300 -0.049 0.000 1.314 212 I CB -0.078 37.899 38.000 -0.040 0.000 1.423 212 I HN 0.639 8.709 8.210 -0.067 0.100 0.503 213 L N 8.931 130.134 121.223 -0.032 0.000 2.515 213 L HA 0.106 nan 4.340 nan 0.000 0.281 213 L C -1.339 175.527 176.870 -0.007 0.000 1.131 213 L CA -0.449 54.380 54.840 -0.018 0.000 0.905 213 L CB -0.081 41.967 42.059 -0.019 0.000 1.246 213 L HN 0.215 8.422 8.230 -0.039 0.000 0.463 214 V N 6.715 126.635 119.914 0.011 0.000 2.607 214 V HA 0.251 nan 4.120 nan 0.000 0.289 214 V C -1.372 174.749 176.094 0.045 0.000 1.053 214 V CA -0.578 61.744 62.300 0.037 0.000 0.996 214 V CB 1.244 33.103 31.823 0.060 0.000 0.995 214 V HN -0.106 8.090 8.190 0.011 0.000 0.476 215 S N 4.604 120.328 115.700 0.040 0.000 2.557 215 S HA 0.637 nan 4.470 nan 0.000 0.291 215 S C -1.972 172.659 174.600 0.051 0.000 1.116 215 S CA -1.929 56.280 58.200 0.014 0.000 0.992 215 S CB 2.334 65.500 63.200 -0.057 0.000 1.028 215 S HN 0.125 8.456 8.310 0.036 0.000 0.484 216 Y N -0.355 119.906 120.300 -0.065 0.000 2.453 216 Y HA 0.489 nan 4.550 nan 0.000 0.326 216 Y C 0.300 176.134 175.900 -0.109 0.000 1.186 216 Y CA -2.663 55.400 58.100 -0.062 0.000 1.200 216 Y CB 1.137 39.587 38.460 -0.016 0.000 1.247 216 Y HN -0.272 8.027 8.280 0.031 0.000 0.482 217 C N 2.532 121.801 119.300 -0.052 0.000 4.475 217 C HA -0.407 nan 4.460 nan 0.000 0.280 217 C C 1.032 175.982 174.990 -0.067 0.000 1.338 217 C CA 1.072 60.038 59.018 -0.087 0.000 1.893 217 C CB -2.041 25.529 27.740 -0.284 0.000 1.299 217 C HN 1.113 9.395 8.230 0.085 0.000 0.767 218 T N 3.159 117.680 114.554 -0.054 0.000 2.720 218 T HA -0.385 nan 4.350 nan 0.000 0.268 218 T C 0.730 175.454 174.700 0.040 0.000 1.037 218 T CA 4.584 66.688 62.100 0.007 0.000 1.144 218 T CB -0.136 68.725 68.868 -0.011 0.000 0.864 218 T HN 0.376 8.521 8.240 -0.059 0.060 0.444 219 L N -2.820 118.409 121.223 0.010 0.000 2.685 219 L HA 0.080 nan 4.340 nan 0.000 0.233 219 L C -0.377 176.491 176.870 -0.003 0.000 1.173 219 L CA -1.116 53.716 54.840 -0.013 0.000 0.961 219 L CB -0.438 41.601 42.059 -0.032 0.000 1.217 219 L HN -0.213 8.018 8.230 0.001 0.000 0.478 220 G N -2.397 106.430 108.800 0.045 0.000 2.270 220 G HA2 -0.455 nan 3.960 nan 0.000 0.268 220 G HA3 -0.455 nan 3.960 nan 0.000 0.268 220 G C -0.015 175.006 174.900 0.202 0.000 0.982 220 G CA 1.014 46.172 45.100 0.096 0.000 0.628 220 G HN -0.068 8.071 8.290 0.087 0.203 0.544 221 S N -0.342 115.440 115.700 0.135 0.000 3.844 221 S HA -0.548 nan 4.470 nan 0.000 0.256 221 S C 0.988 175.656 174.600 0.113 0.000 1.740 221 S CA 2.487 60.771 58.200 0.140 0.000 3.913 221 S CB -0.769 62.595 63.200 0.272 0.000 0.658 221 S HN -0.616 7.640 8.310 0.075 0.099 0.463 222 S N -0.158 115.641 115.700 0.165 0.000 1.971 222 S HA -0.492 nan 4.470 nan 0.000 0.213 222 S C -0.435 174.191 174.600 0.044 0.000 1.054 222 S CA 2.176 60.439 58.200 0.105 0.000 1.702 222 S CB -0.756 62.486 63.200 0.070 0.000 2.322 222 S HN 0.296 8.728 8.310 0.268 0.039 0.569 223 R N 1.679 122.192 120.500 0.022 0.000 2.446 223 R HA -0.076 nan 4.340 nan 0.000 0.314 223 R C 0.758 177.033 176.300 -0.041 0.000 1.003 223 R CA 0.310 56.407 56.100 -0.005 0.000 1.018 223 R CB -0.815 29.486 30.300 0.002 0.000 0.945 223 R HN -0.359 7.859 8.270 0.029 0.070 0.419 224 D N 4.319 124.687 120.400 -0.055 0.000 4.137 224 D HA -0.476 nan 4.640 nan 0.000 0.214 224 D C -0.656 175.541 176.300 -0.172 0.000 1.236 224 D CA 2.406 56.347 54.000 -0.098 0.000 2.360 224 D CB -0.197 40.540 40.800 -0.106 0.000 1.205 224 D HN 0.539 8.888 8.370 -0.035 0.000 0.406 225 K N -1.430 118.803 120.400 -0.277 0.000 5.587 225 K HA -0.271 nan 4.320 nan 0.000 0.436 225 K C 0.404 176.527 176.600 -0.795 0.000 1.020 225 K CA 0.743 56.660 56.287 -0.615 0.000 1.212 225 K CB -1.695 30.654 32.500 -0.252 0.000 1.905 225 K HN -0.096 7.967 8.250 -0.221 0.055 0.351 226 T N -1.205 112.824 114.554 -0.874 0.000 4.354 226 T HA -0.038 nan 4.350 nan 0.000 0.234 226 T C -0.244 174.305 174.700 -0.253 0.000 0.798 226 T CA -0.191 61.617 62.100 -0.486 0.000 0.885 226 T CB -2.679 65.980 68.868 -0.348 0.000 1.350 226 T HN 0.404 8.078 8.240 -0.944 0.000 0.755 227 W N -3.280 118.045 121.300 0.041 0.000 0.852 227 W HA 0.172 nan 4.660 nan 0.000 0.154 227 W C -1.562 174.991 176.519 0.056 0.000 0.660 227 W CA -1.622 55.757 57.345 0.057 0.000 0.576 227 W CB -0.496 29.010 29.460 0.078 0.000 0.757 227 W HN -0.173 7.740 8.180 -0.294 0.091 0.399 228 V N 2.775 122.835 119.914 0.243 0.000 2.521 228 V HA -0.125 nan 4.120 nan 0.000 0.286 228 V C -0.747 175.417 176.094 0.116 0.000 1.034 228 V CA 1.470 63.879 62.300 0.182 0.000 1.045 228 V CB 0.475 32.344 31.823 0.076 0.000 0.974 228 V HN -0.537 7.693 8.190 0.067 0.000 0.480 229 D N 4.424 124.886 120.400 0.103 0.000 2.618 229 D HA 0.022 nan 4.640 nan 0.000 0.278 229 D C -0.538 175.770 176.300 0.013 0.000 1.203 229 D CA 0.484 54.518 54.000 0.057 0.000 1.073 229 D CB 1.759 42.602 40.800 0.071 0.000 1.632 229 D HN 0.373 8.815 8.370 0.120 0.000 0.473 230 Q N 0.927 120.720 119.800 -0.013 0.000 2.262 230 Q HA -0.056 nan 4.340 nan 0.000 0.272 230 Q C -0.036 175.942 176.000 -0.036 0.000 1.076 230 Q CA 0.484 56.249 55.803 -0.062 0.000 0.905 230 Q CB 0.228 28.873 28.738 -0.154 0.000 1.182 230 Q HN 0.076 8.350 8.270 0.007 0.000 0.390 231 K N 7.421 127.804 120.400 -0.029 0.000 2.121 231 K HA -0.091 nan 4.320 nan 0.000 0.235 231 K C -0.998 175.592 176.600 -0.017 0.000 1.200 231 K CA 0.059 56.336 56.287 -0.017 0.000 1.115 231 K CB -1.419 31.073 32.500 -0.013 0.000 1.474 231 K HN 0.471 8.702 8.250 -0.033 0.000 0.295 232 S N 4.034 119.727 115.700 -0.012 0.000 6.644 232 S HA 0.220 nan 4.470 nan 0.000 0.093 232 S C -1.920 172.699 174.600 0.032 0.000 1.396 232 S CA 0.036 58.238 58.200 0.005 0.000 1.109 232 S CB -0.426 62.769 63.200 -0.008 0.000 1.676 232 S HN 0.111 8.369 8.310 -0.015 0.043 0.577 233 P HA 0.237 nan 4.420 nan 0.000 0.232 233 P C -1.738 175.654 177.300 0.154 0.000 1.814 233 P CA -0.189 63.013 63.100 0.170 0.000 1.085 233 P CB -0.682 31.197 31.700 0.299 0.000 1.901 234 V N 5.064 125.035 119.914 0.095 0.000 2.352 234 V HA -0.024 nan 4.120 nan 0.000 0.253 234 V C 1.078 177.192 176.094 0.033 0.000 1.083 234 V CA 0.067 62.402 62.300 0.059 0.000 0.993 234 V CB -1.816 30.029 31.823 0.037 0.000 1.111 234 V HN -0.074 8.165 8.190 0.081 0.000 0.490 235 L N 6.109 127.272 121.223 -0.101 0.000 2.079 235 L HA -0.097 nan 4.340 nan 0.000 0.210 235 L C 0.295 177.075 176.870 -0.150 0.000 1.081 235 L CA 2.801 57.436 54.840 -0.342 0.000 0.752 235 L CB 0.405 41.757 42.059 -1.179 0.000 0.896 235 L HN -0.302 7.901 8.230 -0.045 0.000 0.433 236 L N -6.181 114.984 121.223 -0.097 0.000 2.998 236 L HA 0.134 nan 4.340 nan 0.000 0.234 236 L C -0.993 175.861 176.870 -0.027 0.000 1.350 236 L CA -0.586 54.217 54.840 -0.062 0.000 1.202 236 L CB -2.616 39.408 42.059 -0.058 0.000 1.583 236 L HN -0.176 8.010 8.230 -0.074 0.000 0.456 237 D N -1.593 118.800 120.400 -0.011 0.000 2.520 237 D HA 0.111 nan 4.640 nan 0.000 0.386 237 D C -0.872 175.443 176.300 0.026 0.000 1.267 237 D CA 0.358 54.362 54.000 0.007 0.000 0.958 237 D CB 2.224 43.032 40.800 0.013 0.000 1.462 237 D HN -0.083 8.140 8.370 -0.012 0.140 0.438 238 D N 1.849 122.274 120.400 0.043 0.000 2.382 238 D HA 0.114 nan 4.640 nan 0.000 0.240 238 D C -0.040 176.284 176.300 0.040 0.000 1.146 238 D CA -1.307 52.745 54.000 0.088 0.000 0.897 238 D CB 1.932 42.830 40.800 0.163 0.000 1.197 238 D HN -0.345 7.967 8.370 0.023 0.072 0.432 239 P HA -0.344 nan 4.420 nan 0.000 0.209 239 P C 1.504 178.794 177.300 -0.015 0.000 1.167 239 P CA 2.387 65.488 63.100 0.003 0.000 0.941 239 P CB 0.130 31.829 31.700 -0.002 0.000 0.787 240 V N -0.749 119.151 119.914 -0.024 0.000 2.231 240 V HA -0.396 nan 4.120 nan 0.000 0.248 240 V C 2.531 178.593 176.094 -0.054 0.000 1.054 240 V CA 3.871 66.143 62.300 -0.046 0.000 1.015 240 V CB -0.741 31.048 31.823 -0.057 0.000 0.638 240 V HN -0.410 7.815 8.190 -0.018 -0.046 0.444 241 L N -2.166 119.034 121.223 -0.038 0.000 2.129 241 L HA -0.432 nan 4.340 nan 0.000 0.212 241 L C 2.047 178.889 176.870 -0.047 0.000 1.087 241 L CA 3.107 57.918 54.840 -0.047 0.000 0.757 241 L CB -0.148 41.895 42.059 -0.027 0.000 0.896 241 L HN -0.336 8.172 8.230 -0.017 -0.287 0.434 242 C N -3.632 115.649 119.300 -0.032 0.000 2.618 242 C HA -0.081 nan 4.460 nan 0.000 0.264 242 C C 0.910 175.877 174.990 -0.038 0.000 1.334 242 C CA 0.722 59.722 59.018 -0.031 0.000 1.731 242 C CB -2.374 25.357 27.740 -0.016 0.000 1.852 242 C HN -0.135 7.992 8.230 -0.020 0.091 0.566 243 A N 1.857 124.647 122.820 -0.051 0.000 1.831 243 A HA -0.157 nan 4.320 nan 0.000 0.213 243 A C 1.567 179.088 177.584 -0.105 0.000 1.223 243 A CA 2.911 54.908 52.037 -0.066 0.000 0.604 243 A CB -0.126 18.834 19.000 -0.067 0.000 0.878 243 A HN -0.480 7.503 8.150 -0.048 0.138 0.450 244 I N -2.596 117.888 120.570 -0.144 0.000 2.248 244 I HA -0.462 nan 4.170 nan 0.000 0.248 244 I C 0.850 176.835 176.117 -0.220 0.000 1.107 244 I CA 3.686 64.832 61.300 -0.256 0.000 1.373 244 I CB -0.432 37.428 38.000 -0.233 0.000 1.055 244 I HN -0.141 7.999 8.210 -0.118 0.000 0.418 245 A N -4.656 118.101 122.820 -0.106 0.000 2.840 245 A HA -0.025 nan 4.320 nan 0.000 0.269 245 A C -0.276 177.302 177.584 -0.010 0.000 1.439 245 A CA 0.518 52.526 52.037 -0.048 0.000 1.083 245 A CB -1.488 17.469 19.000 -0.072 0.000 1.019 245 A HN -0.454 7.632 8.150 -0.095 0.007 0.607 246 K N -1.060 119.328 120.400 -0.020 0.000 2.864 246 K HA 0.053 nan 4.320 nan 0.000 0.192 246 K C 0.713 177.318 176.600 0.008 0.000 1.576 246 K CA 0.813 57.108 56.287 0.013 0.000 1.283 246 K CB 1.072 33.567 32.500 -0.008 0.000 1.778 246 K HN -0.143 7.931 8.250 -0.079 0.129 0.611 247 K N -1.345 119.007 120.400 -0.081 0.000 2.218 247 K HA -0.270 nan 4.320 nan 0.000 0.205 247 K C 0.570 177.144 176.600 -0.043 0.000 1.046 247 K CA 1.425 57.630 56.287 -0.136 0.000 0.933 247 K CB 0.273 32.592 32.500 -0.303 0.000 0.728 247 K HN -0.270 7.913 8.250 -0.112 0.000 0.454 248 Y N -2.872 117.492 120.300 0.107 0.000 2.349 248 Y HA 0.147 nan 4.550 nan 0.000 0.324 248 Y C -1.612 174.454 175.900 0.277 0.000 1.005 248 Y CA -3.091 55.135 58.100 0.210 0.000 1.240 248 Y CB 1.227 39.859 38.460 0.287 0.000 1.117 248 Y HN -0.352 7.983 8.280 -0.004 -0.057 0.463 249 K N 2.097 122.729 120.400 0.386 0.000 2.379 249 K HA -0.029 nan 4.320 nan 0.000 0.284 249 K C -0.750 176.079 176.600 0.383 0.000 1.044 249 K CA 0.051 56.511 56.287 0.288 0.000 0.974 249 K CB 0.225 32.828 32.500 0.171 0.000 0.962 249 K HN 0.237 8.676 8.250 0.315 0.000 0.474 250 Q N -0.482 119.443 119.800 0.208 0.000 3.632 250 Q HA -0.160 nan 4.340 nan 0.000 0.117 250 Q C -1.483 174.525 176.000 0.013 0.000 0.956 250 Q CA 0.054 55.933 55.803 0.127 0.000 1.297 250 Q CB 0.168 29.029 28.738 0.205 0.000 1.269 250 Q HN 0.256 8.614 8.270 0.147 0.000 0.593 251 T N 4.938 119.497 114.554 0.009 0.000 2.746 251 T HA -0.160 nan 4.350 nan 0.000 0.267 251 T C 0.529 175.197 174.700 -0.052 0.000 1.022 251 T CA 0.475 62.564 62.100 -0.017 0.000 1.144 251 T CB -0.261 68.607 68.868 -0.000 0.000 1.061 251 T HN 0.074 8.332 8.240 0.031 0.000 0.470 252 P HA -0.098 nan 4.420 nan 0.000 0.242 252 P C -0.434 176.815 177.300 -0.084 0.000 1.198 252 P CA 1.109 64.164 63.100 -0.075 0.000 0.756 252 P CB -0.298 31.367 31.700 -0.058 0.000 0.911 253 A N -0.031 122.742 122.820 -0.079 0.000 1.873 253 A HA -0.227 nan 4.320 nan 0.000 0.215 253 A C 1.873 179.396 177.584 -0.102 0.000 1.186 253 A CA 3.084 55.077 52.037 -0.074 0.000 0.616 253 A CB -0.661 18.305 19.000 -0.056 0.000 0.823 253 A HN -0.012 7.999 8.150 -0.069 0.097 0.442 254 L N -2.442 118.689 121.223 -0.154 0.000 2.017 254 L HA -0.406 nan 4.340 nan 0.000 0.208 254 L C 2.006 178.725 176.870 -0.252 0.000 1.073 254 L CA 3.079 57.774 54.840 -0.242 0.000 0.745 254 L CB -0.327 41.494 42.059 -0.398 0.000 0.894 254 L HN -0.579 7.564 8.230 -0.144 0.000 0.432 255 V N -1.745 118.030 119.914 -0.232 0.000 2.407 255 V HA -0.451 nan 4.120 nan 0.000 0.248 255 V C 1.818 177.888 176.094 -0.040 0.000 1.055 255 V CA 3.954 66.180 62.300 -0.122 0.000 1.049 255 V CB -1.243 30.531 31.823 -0.081 0.000 0.662 255 V HN -0.250 7.795 8.190 -0.241 0.000 0.455 256 A N -0.665 122.127 122.820 -0.046 0.000 1.978 256 A HA -0.271 nan 4.320 nan 0.000 0.220 256 A C 2.184 179.799 177.584 0.052 0.000 1.170 256 A CA 3.109 55.147 52.037 0.001 0.000 0.636 256 A CB -0.767 18.214 19.000 -0.032 0.000 0.810 256 A HN -0.098 7.824 8.150 -0.076 0.183 0.448 257 L N -1.304 119.920 121.223 0.001 0.000 1.982 257 L HA -0.226 nan 4.340 nan 0.000 0.206 257 L C 2.179 179.073 176.870 0.039 0.000 1.078 257 L CA 2.522 57.361 54.840 -0.001 0.000 0.749 257 L CB -1.271 40.751 42.059 -0.061 0.000 0.894 257 L HN -0.088 8.097 8.230 -0.040 0.021 0.436 258 R N -1.698 118.811 120.500 0.016 0.000 2.159 258 R HA -0.503 nan 4.340 nan 0.000 0.249 258 R C 2.155 178.535 176.300 0.133 0.000 1.136 258 R CA 3.153 59.289 56.100 0.060 0.000 0.951 258 R CB -0.787 29.521 30.300 0.014 0.000 0.876 258 R HN 0.153 8.398 8.270 -0.042 0.000 0.440 259 Y N 0.220 120.527 120.300 0.011 0.000 2.053 259 Y HA -0.468 nan 4.550 nan 0.000 0.277 259 Y C 2.124 178.039 175.900 0.025 0.000 1.159 259 Y CA 3.553 61.667 58.100 0.025 0.000 1.125 259 Y CB -0.440 38.032 38.460 0.019 0.000 0.969 259 Y HN -0.293 8.126 8.280 0.248 0.009 0.492 260 Q N -2.590 117.175 119.800 -0.058 0.000 2.084 260 Q HA -0.384 nan 4.340 nan 0.000 0.202 260 Q C 2.830 178.756 176.000 -0.124 0.000 0.978 260 Q CA 2.878 58.559 55.803 -0.203 0.000 0.844 260 Q CB -0.486 28.232 28.738 -0.034 0.000 0.898 260 Q HN -0.299 8.060 8.270 0.149 0.000 0.426 261 L N -0.960 120.251 121.223 -0.021 0.000 2.013 261 L HA -0.404 nan 4.340 nan 0.000 0.212 261 L C 2.719 179.594 176.870 0.009 0.000 1.073 261 L CA 2.854 57.713 54.840 0.031 0.000 0.753 261 L CB -0.177 41.948 42.059 0.110 0.000 0.890 261 L HN -0.347 7.890 8.230 0.012 0.000 0.432 262 Q N -1.973 117.827 119.800 0.001 0.000 2.224 262 Q HA -0.219 nan 4.340 nan 0.000 0.203 262 Q C 1.885 177.846 176.000 -0.064 0.000 0.970 262 Q CA 2.185 57.986 55.803 -0.004 0.000 0.865 262 Q CB -0.236 28.527 28.738 0.041 0.000 0.922 262 Q HN 0.045 8.251 8.270 0.014 0.073 0.445 263 R N -3.958 116.446 120.500 -0.160 0.000 2.153 263 R HA -0.094 nan 4.340 nan 0.000 0.218 263 R C 0.247 176.487 176.300 -0.100 0.000 1.072 263 R CA 0.945 56.939 56.100 -0.176 0.000 0.990 263 R CB 1.050 31.160 30.300 -0.317 0.000 0.889 263 R HN -0.287 7.719 8.270 -0.217 0.133 0.452 264 G N -1.831 106.922 108.800 -0.078 0.000 2.683 264 G HA2 -0.331 nan 3.960 nan 0.000 0.234 264 G HA3 -0.331 nan 3.960 nan 0.000 0.234 264 G C -1.602 173.270 174.900 -0.047 0.000 1.135 264 G CA -0.271 44.801 45.100 -0.046 0.000 0.975 264 G HN -0.531 7.585 8.290 -0.087 0.122 0.511 265 V N -2.116 117.770 119.914 -0.046 0.000 2.789 265 V HA 0.448 nan 4.120 nan 0.000 0.311 265 V C -0.736 175.352 176.094 -0.010 0.000 1.073 265 V CA -1.528 60.748 62.300 -0.039 0.000 0.921 265 V CB 3.796 35.577 31.823 -0.070 0.000 1.009 265 V HN -0.634 7.532 8.190 -0.040 0.000 0.426 266 V N 5.560 125.477 119.914 0.004 0.000 2.288 266 V HA 0.451 nan 4.120 nan 0.000 0.266 266 V C -1.524 174.592 176.094 0.037 0.000 1.048 266 V CA -3.205 59.114 62.300 0.031 0.000 0.842 266 V CB 0.517 32.358 31.823 0.030 0.000 1.064 266 V HN 0.515 8.704 8.190 -0.002 0.000 0.472 267 P HA 0.589 nan 4.420 nan 0.000 0.276 267 P C -1.928 175.376 177.300 0.006 0.000 1.244 267 P CA -0.594 62.517 63.100 0.018 0.000 0.801 267 P CB 1.201 32.908 31.700 0.012 0.000 1.006 268 L N 0.917 122.136 121.223 -0.007 0.000 2.325 268 L HA 0.605 nan 4.340 nan 0.000 0.281 268 L C -0.669 176.154 176.870 -0.079 0.000 1.004 268 L CA -1.575 53.237 54.840 -0.047 0.000 0.823 268 L CB 0.786 42.834 42.059 -0.019 0.000 1.236 268 L HN 0.022 8.256 8.230 0.006 0.000 0.415 269 I N -0.373 120.108 120.570 -0.148 0.000 2.392 269 I HA 0.479 nan 4.170 nan 0.000 0.295 269 I C -1.568 174.240 176.117 -0.514 0.000 0.985 269 I CA -1.951 59.202 61.300 -0.245 0.000 1.221 269 I CB 2.482 40.370 38.000 -0.187 0.000 1.366 269 I HN 0.768 8.783 8.210 -0.135 0.115 0.467 270 R N 5.652 125.862 120.500 -0.484 0.000 2.810 270 R HA 0.379 nan 4.340 nan 0.000 0.245 270 R C -0.894 174.954 176.300 -0.753 0.000 1.168 270 R CA -0.731 54.931 56.100 -0.730 0.000 1.096 270 R CB 2.138 32.155 30.300 -0.471 0.000 1.259 270 R HN 0.301 8.376 8.270 -0.325 0.000 0.518 271 S N -3.120 112.019 115.700 -0.934 0.000 2.627 271 S HA 0.203 nan 4.470 nan 0.000 0.270 271 S C -1.987 171.924 174.600 -1.148 0.000 1.147 271 S CA 0.213 57.999 58.200 -0.690 0.000 0.944 271 S CB 1.469 64.397 63.200 -0.453 0.000 1.201 271 S HN 0.224 7.819 8.310 -1.191 0.000 0.479 272 F N -3.599 116.336 119.950 -0.025 0.000 2.031 272 F HA -0.091 nan 4.527 nan 0.000 0.406 272 F C -0.990 174.833 175.800 0.039 0.000 0.895 272 F CA 0.428 58.449 58.000 0.034 0.000 0.958 272 F CB 1.174 40.178 39.000 0.007 0.000 1.278 272 F HN 0.016 8.212 8.300 -0.174 0.000 0.523 273 N N 1.628 120.416 118.700 0.146 0.000 2.440 273 N HA -0.009 nan 4.740 nan 0.000 0.265 273 N C 0.389 175.949 175.510 0.083 0.000 1.239 273 N CA 0.339 53.450 53.050 0.101 0.000 0.909 273 N CB 0.520 39.044 38.487 0.062 0.000 1.066 273 N HN -0.081 8.370 8.380 0.118 0.000 0.474 274 A N 7.702 130.581 122.820 0.097 0.000 1.870 274 A HA -0.416 nan 4.320 nan 0.000 0.219 274 A C 1.774 179.410 177.584 0.086 0.000 1.224 274 A CA 3.342 55.440 52.037 0.101 0.000 0.650 274 A CB -0.395 18.658 19.000 0.089 0.000 0.836 274 A HN 0.719 8.932 8.150 0.104 0.000 0.454 275 K N -1.665 118.775 120.400 0.066 0.000 2.097 275 K HA -0.331 nan 4.320 nan 0.000 0.214 275 K C 2.003 178.633 176.600 0.049 0.000 1.052 275 K CA 2.888 59.208 56.287 0.054 0.000 0.932 275 K CB -0.427 32.099 32.500 0.043 0.000 0.716 275 K HN 0.055 8.344 8.250 0.064 0.000 0.455 276 R N -3.260 117.261 120.500 0.035 0.000 2.297 276 R HA -0.034 nan 4.340 nan 0.000 0.197 276 R C 2.544 178.861 176.300 0.028 0.000 0.943 276 R CA 1.607 57.717 56.100 0.016 0.000 1.038 276 R CB -0.087 30.205 30.300 -0.013 0.000 0.957 276 R HN -0.694 7.576 8.270 0.034 0.021 0.484 277 I N -0.955 119.658 120.570 0.071 0.000 3.030 277 I HA -0.266 nan 4.170 nan 0.000 0.270 277 I C 0.730 176.973 176.117 0.209 0.000 1.211 277 I CA 2.338 63.739 61.300 0.169 0.000 1.479 277 I CB -0.188 37.968 38.000 0.260 0.000 1.105 277 I HN 0.093 8.212 8.210 0.069 0.132 0.447 278 K N -1.966 118.512 120.400 0.131 0.000 2.137 278 K HA -0.094 nan 4.320 nan 0.000 0.202 278 K C 2.714 179.351 176.600 0.061 0.000 1.052 278 K CA 2.553 58.898 56.287 0.097 0.000 0.961 278 K CB 0.174 32.722 32.500 0.079 0.000 0.741 278 K HN -0.473 7.714 8.250 0.108 0.128 0.452 279 E N 0.087 120.319 120.200 0.054 0.000 2.204 279 E HA -0.259 nan 4.350 nan 0.000 0.195 279 E C 1.816 178.430 176.600 0.023 0.000 0.990 279 E CA 2.530 58.957 56.400 0.045 0.000 0.821 279 E CB -0.525 29.196 29.700 0.034 0.000 0.750 279 E HN -0.367 8.027 8.360 0.056 0.000 0.477 280 L N -2.310 118.922 121.223 0.015 0.000 2.478 280 L HA -0.011 nan 4.340 nan 0.000 0.223 280 L C 1.689 178.476 176.870 -0.138 0.000 1.140 280 L CA 1.100 55.919 54.840 -0.037 0.000 0.842 280 L CB -0.622 41.460 42.059 0.038 0.000 0.953 280 L HN -0.319 7.925 8.230 0.045 0.014 0.452 281 T N -2.910 111.578 114.554 -0.111 0.000 3.023 281 T HA -0.155 nan 4.350 nan 0.000 0.266 281 T C 1.871 176.472 174.700 -0.165 0.000 1.093 281 T CA 2.650 64.625 62.100 -0.209 0.000 1.129 281 T CB -0.435 68.361 68.868 -0.120 0.000 0.899 281 T HN -0.521 7.588 8.240 -0.029 0.114 0.491 282 Q N 1.256 121.023 119.800 -0.054 0.000 2.364 282 Q HA -0.162 nan 4.340 nan 0.000 0.209 282 Q C 1.736 177.778 176.000 0.069 0.000 0.977 282 Q CA 2.571 58.402 55.803 0.046 0.000 0.885 282 Q CB -0.499 28.348 28.738 0.182 0.000 0.941 282 Q HN -0.272 7.864 8.270 -0.024 0.120 0.464 283 V N -3.807 116.026 119.914 -0.135 0.000 3.207 283 V HA -0.218 nan 4.120 nan 0.000 0.273 283 V C 0.314 176.371 176.094 -0.062 0.000 1.182 283 V CA 2.152 64.351 62.300 -0.169 0.000 1.186 283 V CB -1.521 30.059 31.823 -0.405 0.000 0.801 283 V HN -0.672 7.207 8.190 -0.239 0.168 0.548 284 F N -2.663 117.344 119.950 0.095 0.000 2.720 284 F HA 0.323 nan 4.527 nan 0.000 0.301 284 F C 1.263 177.076 175.800 0.022 0.000 1.103 284 F CA -1.410 56.617 58.000 0.044 0.000 1.291 284 F CB 0.547 39.543 39.000 -0.006 0.000 1.086 284 F HN -0.754 7.430 8.300 -0.043 0.090 0.592 285 E N 0.785 121.074 120.200 0.148 0.000 2.463 285 E HA -0.139 nan 4.350 nan 0.000 0.191 285 E C -1.169 175.273 176.600 -0.263 0.000 1.083 285 E CA 0.547 56.909 56.400 -0.064 0.000 0.872 285 E CB -0.236 29.391 29.700 -0.122 0.000 0.966 285 E HN -0.105 8.243 8.360 0.168 0.113 0.491 286 F N -2.693 117.254 119.950 -0.005 0.000 2.746 286 F HA 0.345 nan 4.527 nan 0.000 0.378 286 F C -1.274 174.462 175.800 -0.106 0.000 1.165 286 F CA -1.145 56.812 58.000 -0.071 0.000 1.089 286 F CB 2.323 41.285 39.000 -0.062 0.000 1.439 286 F HN -0.756 7.570 8.300 0.199 0.093 0.516 287 Q N -2.371 117.435 119.800 0.009 0.000 2.630 287 Q HA 0.272 nan 4.340 nan 0.000 0.295 287 Q C -1.998 173.862 176.000 -0.233 0.000 0.944 287 Q CA -0.257 55.485 55.803 -0.101 0.000 0.766 287 Q CB 2.881 31.541 28.738 -0.130 0.000 1.471 287 Q HN 0.189 8.455 8.270 -0.007 0.000 0.416 288 L N 0.207 121.366 121.223 -0.107 0.000 2.482 288 L HA 0.301 nan 4.340 nan 0.000 0.269 288 L C -1.536 175.377 176.870 0.073 0.000 0.967 288 L CA 0.047 54.886 54.840 -0.001 0.000 0.851 288 L CB 2.704 44.827 42.059 0.107 0.000 1.242 288 L HN 0.269 8.470 8.230 -0.048 0.000 0.404 289 A N 5.943 128.862 122.820 0.165 0.000 2.340 289 A HA 0.513 nan 4.320 nan 0.000 0.268 289 A C 1.001 178.662 177.584 0.128 0.000 1.100 289 A CA -0.693 51.428 52.037 0.139 0.000 0.803 289 A CB 1.926 21.031 19.000 0.175 0.000 1.043 289 A HN 0.431 8.771 8.150 0.317 0.000 0.488 290 S N 2.877 118.631 115.700 0.090 0.000 2.419 290 S HA -0.469 nan 4.470 nan 0.000 0.235 290 S C 1.537 176.181 174.600 0.073 0.000 1.019 290 S CA 2.957 61.204 58.200 0.079 0.000 0.982 290 S CB -0.111 63.123 63.200 0.057 0.000 0.789 290 S HN 0.706 9.061 8.310 0.075 0.000 0.490 291 E N 0.797 121.037 120.200 0.067 0.000 2.047 291 E HA -0.258 nan 4.350 nan 0.000 0.191 291 E C 2.194 178.823 176.600 0.049 0.000 0.987 291 E CA 2.593 59.022 56.400 0.049 0.000 0.799 291 E CB -0.661 29.063 29.700 0.041 0.000 0.752 291 E HN 0.467 8.846 8.360 0.072 0.024 0.449 292 D N 0.653 121.098 120.400 0.074 0.000 2.084 292 D HA -0.198 nan 4.640 nan 0.000 0.196 292 D C 2.162 178.503 176.300 0.069 0.000 0.985 292 D CA 2.444 56.483 54.000 0.065 0.000 0.826 292 D CB -0.266 40.613 40.800 0.132 0.000 0.978 292 D HN -0.632 7.705 8.370 0.101 0.093 0.456 293 M N -0.369 119.303 119.600 0.121 0.000 2.151 293 M HA -0.475 nan 4.480 nan 0.000 0.256 293 M C 2.116 178.480 176.300 0.107 0.000 1.072 293 M CA 2.980 58.375 55.300 0.158 0.000 1.090 293 M CB -0.367 32.334 32.600 0.169 0.000 1.294 293 M HN 0.311 8.687 8.290 0.143 0.000 0.415 294 K N -3.026 117.419 120.400 0.076 0.000 2.211 294 K HA -0.197 nan 4.320 nan 0.000 0.203 294 K C 1.897 178.502 176.600 0.008 0.000 1.050 294 K CA 1.820 58.137 56.287 0.049 0.000 0.945 294 K CB -0.634 31.891 32.500 0.042 0.000 0.732 294 K HN -0.261 7.928 8.250 0.075 0.106 0.451 295 A N -2.410 120.405 122.820 -0.009 0.000 2.168 295 A HA -0.067 nan 4.320 nan 0.000 0.215 295 A C 0.966 178.498 177.584 -0.087 0.000 1.152 295 A CA 2.077 54.089 52.037 -0.041 0.000 0.716 295 A CB -0.045 18.930 19.000 -0.041 0.000 0.794 295 A HN -0.306 7.729 8.150 0.009 0.121 0.465 296 L N -4.112 117.037 121.223 -0.122 0.000 2.388 296 L HA 0.142 nan 4.340 nan 0.000 0.209 296 L C 1.152 177.830 176.870 -0.320 0.000 1.061 296 L CA 1.287 55.950 54.840 -0.294 0.000 0.834 296 L CB 0.967 42.725 42.059 -0.503 0.000 1.029 296 L HN -0.207 7.811 8.230 -0.068 0.171 0.473 297 D N -1.067 119.275 120.400 -0.097 0.000 2.856 297 D HA -0.045 nan 4.640 nan 0.000 0.242 297 D C 0.073 176.385 176.300 0.019 0.000 1.226 297 D CA 0.768 54.813 54.000 0.075 0.000 0.855 297 D CB -1.018 39.918 40.800 0.227 0.000 1.065 297 D HN 0.218 8.369 8.370 -0.026 0.203 0.462 298 G N -1.709 107.061 108.800 -0.049 0.000 2.571 298 G HA2 0.057 nan 3.960 nan 0.000 0.204 298 G HA3 0.057 nan 3.960 nan 0.000 0.204 298 G C 0.631 175.475 174.900 -0.094 0.000 1.315 298 G CA 0.529 45.595 45.100 -0.056 0.000 0.593 298 G HN -0.017 8.119 8.290 -0.100 0.094 1.002 299 L N 1.860 123.003 121.223 -0.132 0.000 2.064 299 L HA -0.347 nan 4.340 nan 0.000 0.216 299 L C 0.772 177.464 176.870 -0.296 0.000 1.077 299 L CA 1.426 56.146 54.840 -0.201 0.000 0.766 299 L CB -0.218 41.758 42.059 -0.139 0.000 0.890 299 L HN -0.602 7.544 8.230 -0.141 0.000 0.435 300 N N -2.915 115.689 118.700 -0.160 0.000 1.863 300 N HA -0.347 nan 4.740 nan 0.000 0.317 300 N C -0.032 175.389 175.510 -0.149 0.000 1.256 300 N CA 1.262 54.243 53.050 -0.116 0.000 0.793 300 N CB 0.581 39.059 38.487 -0.015 0.000 1.017 300 N HN -0.581 7.746 8.380 -0.088 0.000 0.498 301 R N 5.514 125.954 120.500 -0.099 0.000 2.056 301 R HA 0.159 nan 4.340 nan 0.000 0.215 301 R C 0.518 176.848 176.300 0.049 0.000 1.205 301 R CA 0.032 56.118 56.100 -0.023 0.000 1.020 301 R CB 0.802 31.154 30.300 0.086 0.000 0.911 301 R HN 0.111 8.235 8.270 -0.047 0.118 0.451 302 N N -4.396 114.371 118.700 0.111 0.000 3.265 302 N HA -0.243 nan 4.740 nan 0.000 0.213 302 N C -1.508 174.134 175.510 0.219 0.000 1.024 302 N CA 0.158 53.282 53.050 0.123 0.000 1.025 302 N CB 0.091 38.630 38.487 0.088 0.000 1.065 302 N HN -0.280 8.179 8.380 0.132 0.000 0.520 303 F N 1.912 121.949 119.950 0.146 0.000 2.421 303 F HA 0.012 nan 4.527 nan 0.000 0.358 303 F C -1.211 174.747 175.800 0.263 0.000 1.115 303 F CA -1.479 56.647 58.000 0.211 0.000 1.160 303 F CB 0.537 39.722 39.000 0.309 0.000 1.123 303 F HN -0.801 7.728 8.300 0.381 0.000 0.508 304 R N 8.342 128.592 120.500 -0.417 0.000 2.357 304 R HA -0.110 nan 4.340 nan 0.000 0.330 304 R C -0.502 175.181 176.300 -1.029 0.000 1.102 304 R CA 0.209 55.992 56.100 -0.529 0.000 0.974 304 R CB 0.032 30.138 30.300 -0.324 0.000 1.002 304 R HN 0.356 8.539 8.270 -0.144 0.000 0.463 305 Y N 5.103 124.849 120.300 -0.923 0.000 2.403 305 Y HA -0.247 nan 4.550 nan 0.000 0.291 305 Y C 0.173 175.382 175.900 -1.152 0.000 1.143 305 Y CA 0.467 58.056 58.100 -0.852 0.000 1.257 305 Y CB -0.293 37.971 38.460 -0.328 0.000 0.984 305 Y HN 0.224 8.431 8.280 -0.217 -0.057 0.550 306 N N -0.957 117.178 118.700 -0.941 0.000 2.405 306 N HA 0.060 nan 4.740 nan 0.000 0.299 306 N C -2.174 173.070 175.510 -0.442 0.000 1.075 306 N CA -0.805 51.611 53.050 -1.056 0.000 0.884 306 N CB 2.369 40.437 38.487 -0.697 0.000 1.194 306 N HN -0.649 7.376 8.380 -0.678 -0.052 0.491 307 N N -0.759 117.828 118.700 -0.188 0.000 2.284 307 N HA 0.134 nan 4.740 nan 0.000 0.289 307 N C -1.784 173.797 175.510 0.118 0.000 1.179 307 N CA -1.101 51.943 53.050 -0.009 0.000 0.774 307 N CB 2.395 40.910 38.487 0.046 0.000 1.548 307 N HN 0.053 8.359 8.380 -0.123 0.000 0.473 308 A N 0.000 122.903 122.820 0.138 0.000 2.254 308 A HA 0.000 nan 4.320 nan 0.000 0.244 308 A CA 0.000 52.140 52.037 0.172 0.000 0.836 308 A CB 0.000 19.104 19.000 0.174 0.000 0.831 308 A HN 0.000 8.213 8.150 0.105 0.000 0.486