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 2qyo_1_B DATA FIRST_RESID 6 DATA SEQUENCE NNRKPSEIFK AQALLYKNMY AFVDSMSLKW SIEMNIPNII HNHGKPITLS DATA SEQUENCE NLVSILQIPS TKVDNVQRLM RYLAHNGFFE IITNQELENE EEAYALTVAS DATA SEQUENCE ELLVKGTELC LAPMVECVLD PTLSTSFHNL KKWVYEEDLT LFAVNLGCDL DATA SEQUENCE WEFLNKNPEY NTLYNDALAS DSKMINLAMK DCNLVFEGLE SIVDVGGGNG DATA SEQUENCE TTGKIICETF PKLTCVVFDR PKVVENLCGS NNLTYVGGDM FISVPKADAV DATA SEQUENCE LLKAVLHDWT DKDCIKILKK CKEAVTSDGK RGKVIVIDMV INEKKDENQL DATA SEQUENCE TQIKLLMNVT ISCVNGKERN EEEWKKLFIE AGFQDYKISP FTGLMSLIEI DATA SEQUENCE YP 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.501 175.510 -0.015 0.000 1.280 6 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 6 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 7 N N 1.859 120.549 118.700 -0.016 0.000 2.521 7 N HA 0.193 4.944 4.740 0.018 0.000 0.236 7 N C -0.721 174.771 175.510 -0.030 0.000 1.067 7 N CA -0.045 52.991 53.050 -0.022 0.000 0.939 7 N CB 0.448 38.925 38.487 -0.017 0.000 1.201 7 N HN 0.245 nan 8.380 nan 0.000 0.511 8 R N 1.828 122.302 120.500 -0.043 0.000 2.828 8 R HA 0.421 4.772 4.340 0.018 0.000 0.264 8 R C 0.105 176.357 176.300 -0.080 0.000 1.022 8 R CA -0.791 55.276 56.100 -0.056 0.000 1.021 8 R CB 1.007 31.271 30.300 -0.060 0.000 1.163 8 R HN 0.342 nan 8.270 nan 0.000 0.494 9 K N 1.659 122.008 120.400 -0.086 0.000 2.237 9 K HA 0.185 4.516 4.320 0.018 0.000 0.270 9 K C -1.654 174.827 176.600 -0.198 0.000 1.015 9 K CA -1.932 54.291 56.287 -0.107 0.000 0.949 9 K CB 0.606 33.062 32.500 -0.073 0.000 0.976 9 K HN 0.175 nan 8.250 nan 0.000 0.472 10 P HA -0.235 nan 4.420 nan 0.000 0.216 10 P C 1.309 178.187 177.300 -0.704 0.000 1.157 10 P CA 1.790 64.556 63.100 -0.557 0.000 0.880 10 P CB 0.190 31.674 31.700 -0.359 0.000 0.791 11 S N -0.576 114.960 115.700 -0.272 0.000 2.382 11 S HA -0.219 4.261 4.470 0.018 0.000 0.228 11 S C 1.852 176.401 174.600 -0.084 0.000 1.027 11 S CA 1.343 59.495 58.200 -0.080 0.000 0.991 11 S CB -1.215 61.991 63.200 0.009 0.000 0.823 11 S HN 0.253 nan 8.310 nan 0.000 0.469 12 E N 1.186 121.315 120.200 -0.119 0.000 2.072 12 E HA -0.005 4.356 4.350 0.018 0.000 0.191 12 E C 2.080 178.628 176.600 -0.086 0.000 0.985 12 E CA 1.363 57.720 56.400 -0.072 0.000 0.801 12 E CB -0.381 29.280 29.700 -0.065 0.000 0.750 12 E HN 0.577 nan 8.360 nan 0.000 0.452 13 I N 0.536 120.987 120.570 -0.200 0.000 2.179 13 I HA -0.254 3.926 4.170 0.018 0.000 0.242 13 I C 1.975 178.065 176.117 -0.044 0.000 1.088 13 I CA 1.015 62.209 61.300 -0.177 0.000 1.357 13 I CB -0.242 37.568 38.000 -0.317 0.000 1.051 13 I HN 0.044 nan 8.210 nan 0.000 0.409 14 F N 1.102 121.051 119.950 -0.001 0.000 2.186 14 F HA -0.157 4.382 4.527 0.020 0.000 0.299 14 F C 2.497 178.288 175.800 -0.015 0.000 1.090 14 F CA 1.111 59.101 58.000 -0.017 0.000 1.307 14 F CB -1.021 37.964 39.000 -0.025 0.000 1.019 14 F HN -0.003 nan 8.300 nan 0.000 0.489 15 K N 0.456 120.952 120.400 0.160 0.000 2.097 15 K HA -0.084 4.247 4.320 0.018 0.000 0.205 15 K C 2.263 178.914 176.600 0.086 0.000 1.050 15 K CA 1.088 57.435 56.287 0.100 0.000 0.938 15 K CB -0.232 32.308 32.500 0.067 0.000 0.718 15 K HN 0.162 nan 8.250 nan 0.000 0.442 16 A N 1.176 124.042 122.820 0.076 0.000 1.933 16 A HA -0.229 4.102 4.320 0.018 0.000 0.218 16 A C 2.081 179.731 177.584 0.111 0.000 1.175 16 A CA 1.603 53.685 52.037 0.076 0.000 0.628 16 A CB -0.591 18.440 19.000 0.053 0.000 0.814 16 A HN 0.558 nan 8.150 nan 0.000 0.444 17 Q N -0.407 119.471 119.800 0.130 0.000 2.084 17 Q HA -0.133 4.218 4.340 0.018 0.000 0.202 17 Q C 2.177 178.263 176.000 0.142 0.000 0.978 17 Q CA 1.606 57.505 55.803 0.160 0.000 0.844 17 Q CB -0.354 28.462 28.738 0.130 0.000 0.898 17 Q HN 0.581 nan 8.270 nan 0.000 0.426 18 A N 0.917 123.775 122.820 0.062 0.000 1.902 18 A HA -0.189 4.142 4.320 0.018 0.000 0.217 18 A C 2.008 179.671 177.584 0.131 0.000 1.181 18 A CA 1.385 53.447 52.037 0.041 0.000 0.623 18 A CB -0.780 18.233 19.000 0.022 0.000 0.818 18 A HN 0.492 nan 8.150 nan 0.000 0.443 19 L N -0.384 120.912 121.223 0.122 0.000 2.017 19 L HA -0.117 4.234 4.340 0.018 0.000 0.208 19 L C 2.335 179.296 176.870 0.150 0.000 1.073 19 L CA 1.690 56.602 54.840 0.120 0.000 0.745 19 L CB -0.449 41.666 42.059 0.093 0.000 0.894 19 L HN 0.408 nan 8.230 nan 0.000 0.432 20 L N -1.934 119.396 121.223 0.178 0.000 2.017 20 L HA -0.281 4.070 4.340 0.018 0.000 0.208 20 L C 2.437 179.430 176.870 0.204 0.000 1.073 20 L CA 1.645 56.588 54.840 0.172 0.000 0.745 20 L CB -0.614 41.553 42.059 0.180 0.000 0.894 20 L HN 0.284 nan 8.230 nan 0.000 0.432 21 Y N -0.187 120.166 120.300 0.090 0.000 2.224 21 Y HA -0.339 4.215 4.550 0.005 0.000 0.289 21 Y C 2.691 178.699 175.900 0.180 0.000 1.146 21 Y CA 1.312 59.502 58.100 0.151 0.000 1.182 21 Y CB -0.069 38.490 38.460 0.166 0.000 0.983 21 Y HN 0.074 nan 8.280 nan 0.000 0.524 22 K N 0.826 121.394 120.400 0.280 0.000 2.057 22 K HA -0.159 4.172 4.320 0.018 0.000 0.207 22 K C 1.435 178.132 176.600 0.161 0.000 1.049 22 K CA 1.781 58.186 56.287 0.196 0.000 0.931 22 K CB -0.394 32.197 32.500 0.151 0.000 0.714 22 K HN 0.251 nan 8.250 nan 0.000 0.440 23 N N 0.174 118.951 118.700 0.130 0.000 2.250 23 N HA -0.088 4.663 4.740 0.018 0.000 0.181 23 N C 1.766 177.322 175.510 0.077 0.000 1.017 23 N CA 1.600 54.707 53.050 0.095 0.000 0.866 23 N CB -0.109 38.422 38.487 0.074 0.000 0.985 23 N HN 0.479 nan 8.380 nan 0.000 0.429 24 M N -1.395 118.219 119.600 0.024 0.000 2.319 24 M HA -0.041 4.449 4.480 0.018 0.000 0.265 24 M C 0.686 176.977 176.300 -0.015 0.000 1.068 24 M CA 1.465 56.725 55.300 -0.066 0.000 1.118 24 M CB -0.304 32.144 32.600 -0.252 0.000 1.395 24 M HN -0.088 nan 8.290 nan 0.000 0.435 25 Y N 0.787 121.122 120.300 0.058 0.000 2.468 25 Y HA 0.492 5.047 4.550 0.008 0.000 0.268 25 Y C 2.422 178.179 175.900 -0.238 0.000 1.177 25 Y CA -0.049 57.981 58.100 -0.117 0.000 1.265 25 Y CB -0.481 37.877 38.460 -0.169 0.000 1.103 25 Y HN 0.360 nan 8.280 nan 0.000 0.522 26 A N 0.379 123.264 122.820 0.109 0.000 1.978 26 A HA -0.249 4.082 4.320 0.018 0.000 0.220 26 A C 1.953 179.570 177.584 0.056 0.000 1.170 26 A CA 1.870 53.962 52.037 0.091 0.000 0.636 26 A CB -1.413 17.657 19.000 0.117 0.000 0.810 26 A HN 0.606 nan 8.150 nan 0.000 0.448 27 F N -0.556 119.436 119.950 0.070 0.000 2.307 27 F HA -0.058 4.477 4.527 0.013 0.000 0.301 27 F C 1.586 177.442 175.800 0.092 0.000 1.076 27 F CA 1.059 59.090 58.000 0.053 0.000 1.383 27 F CB -1.100 37.915 39.000 0.025 0.000 1.055 27 F HN -0.029 nan 8.300 nan 0.000 0.526 28 V N 1.256 120.757 119.914 -0.690 0.000 2.667 28 V HA -0.213 3.917 4.120 0.018 0.000 0.252 28 V C 1.952 178.022 176.094 -0.040 0.000 1.065 28 V CA 1.897 63.944 62.300 -0.421 0.000 1.083 28 V CB -0.771 30.738 31.823 -0.522 0.000 0.692 28 V HN 0.259 nan 8.190 nan 0.000 0.468 29 D N 0.350 120.792 120.400 0.070 0.000 2.097 29 D HA -0.129 4.522 4.640 0.018 0.000 0.195 29 D C 2.425 178.794 176.300 0.116 0.000 0.989 29 D CA 1.769 55.892 54.000 0.204 0.000 0.827 29 D CB -0.304 40.609 40.800 0.189 0.000 0.966 29 D HN 0.399 nan 8.370 nan 0.000 0.456 30 S N 0.240 115.995 115.700 0.092 0.000 2.355 30 S HA -0.084 4.397 4.470 0.018 0.000 0.222 30 S C 1.968 176.618 174.600 0.085 0.000 1.031 30 S CA 0.792 59.039 58.200 0.078 0.000 0.993 30 S CB -0.063 63.192 63.200 0.092 0.000 0.859 30 S HN 0.190 nan 8.310 nan 0.000 0.453 31 M N 2.065 121.733 119.600 0.113 0.000 2.159 31 M HA -0.034 4.457 4.480 0.018 0.000 0.263 31 M C 2.447 178.831 176.300 0.139 0.000 1.063 31 M CA 1.396 56.776 55.300 0.132 0.000 1.110 31 M CB -1.819 30.875 32.600 0.157 0.000 1.374 31 M HN 0.481 nan 8.290 nan 0.000 0.411 32 S N 0.549 116.318 115.700 0.115 0.000 2.406 32 S HA -0.100 4.381 4.470 0.018 0.000 0.228 32 S C 1.905 176.634 174.600 0.215 0.000 1.020 32 S CA 0.825 59.127 58.200 0.170 0.000 0.965 32 S CB -0.881 62.415 63.200 0.160 0.000 0.798 32 S HN 0.398 nan 8.310 nan 0.000 0.488 33 L N 2.112 123.362 121.223 0.045 0.000 2.027 33 L HA 0.090 4.441 4.340 0.018 0.000 0.206 33 L C 2.467 179.307 176.870 -0.050 0.000 1.074 33 L CA 2.070 56.821 54.840 -0.148 0.000 0.745 33 L CB -0.837 41.049 42.059 -0.288 0.000 0.898 33 L HN 0.356 nan 8.230 nan 0.000 0.433 34 K N -1.393 119.026 120.400 0.032 0.000 2.063 34 K HA -0.286 4.045 4.320 0.018 0.000 0.208 34 K C 2.142 178.794 176.600 0.086 0.000 1.048 34 K CA 1.977 58.293 56.287 0.049 0.000 0.928 34 K CB -0.674 31.877 32.500 0.085 0.000 0.713 34 K HN 0.530 nan 8.250 nan 0.000 0.442 35 W N 1.885 123.172 121.300 -0.022 0.000 2.335 35 W HA -0.260 4.414 4.660 0.024 0.000 0.311 35 W C 2.267 178.775 176.519 -0.018 0.000 1.213 35 W CA 2.700 60.038 57.345 -0.012 0.000 1.274 35 W CB -0.639 28.819 29.460 -0.003 0.000 1.148 35 W HN 0.243 nan 8.180 nan 0.000 0.498 36 S N 0.202 115.848 115.700 -0.090 0.000 2.383 36 S HA -0.275 4.206 4.470 0.018 0.000 0.229 36 S C 1.839 176.253 174.600 -0.311 0.000 1.030 36 S CA 1.774 59.757 58.200 -0.362 0.000 1.002 36 S CB -1.013 62.215 63.200 0.046 0.000 0.829 36 S HN 0.450 nan 8.310 nan 0.000 0.467 37 I N 1.800 122.256 120.570 -0.191 0.000 2.286 37 I HA -0.087 4.094 4.170 0.018 0.000 0.245 37 I C 2.759 178.777 176.117 -0.164 0.000 1.104 37 I CA 1.358 62.570 61.300 -0.147 0.000 1.397 37 I CB -0.404 37.536 38.000 -0.100 0.000 1.072 37 I HN 0.358 nan 8.210 nan 0.000 0.417 38 E N 0.457 120.550 120.200 -0.177 0.000 2.268 38 E HA -0.150 4.211 4.350 0.018 0.000 0.195 38 E C 1.937 178.403 176.600 -0.224 0.000 0.995 38 E CA 0.936 57.244 56.400 -0.154 0.000 0.836 38 E CB 0.014 29.657 29.700 -0.096 0.000 0.763 38 E HN 0.409 nan 8.360 nan 0.000 0.491 39 M N -0.052 119.312 119.600 -0.393 0.000 2.556 39 M HA 0.025 4.516 4.480 0.018 0.000 0.245 39 M C 0.139 176.269 176.300 -0.283 0.000 1.128 39 M CA 0.436 55.478 55.300 -0.429 0.000 1.069 39 M CB -0.654 31.444 32.600 -0.836 0.000 1.469 39 M HN 0.121 nan 8.290 nan 0.000 0.494 40 N N 0.383 118.952 118.700 -0.218 0.000 2.714 40 N HA -0.220 4.531 4.740 0.018 0.000 0.250 40 N C 0.811 176.252 175.510 -0.115 0.000 1.117 40 N CA 0.131 53.102 53.050 -0.131 0.000 0.719 40 N CB -1.324 37.108 38.487 -0.092 0.000 1.081 40 N HN 0.390 nan 8.380 nan 0.000 0.557 41 I N 0.422 120.892 120.570 -0.168 0.000 2.208 41 I HA -0.183 3.998 4.170 0.018 0.000 0.245 41 I C -0.629 175.510 176.117 0.037 0.000 1.097 41 I CA 1.416 62.644 61.300 -0.119 0.000 1.363 41 I CB -0.926 36.942 38.000 -0.220 0.000 1.051 41 I HN 0.126 nan 8.210 nan 0.000 0.413 42 P HA -0.146 nan 4.420 nan 0.000 0.215 42 P C 1.017 178.388 177.300 0.117 0.000 1.157 42 P CA 1.652 64.845 63.100 0.155 0.000 0.874 42 P CB -0.109 31.631 31.700 0.067 0.000 0.790 43 N N -1.011 117.720 118.700 0.051 0.000 2.166 43 N HA -0.095 4.655 4.740 0.018 0.000 0.186 43 N C 1.646 177.222 175.510 0.110 0.000 1.019 43 N CA 0.929 54.018 53.050 0.065 0.000 0.856 43 N CB -0.704 37.789 38.487 0.011 0.000 0.993 43 N HN 0.113 nan 8.380 nan 0.000 0.426 44 I N 0.488 121.093 120.570 0.058 0.000 2.226 44 I HA -0.232 3.949 4.170 0.018 0.000 0.245 44 I C 1.741 177.912 176.117 0.090 0.000 1.100 44 I CA 1.040 62.368 61.300 0.047 0.000 1.374 44 I CB -0.233 37.755 38.000 -0.020 0.000 1.057 44 I HN 0.151 nan 8.210 nan 0.000 0.413 45 I N -0.242 120.396 120.570 0.114 0.000 2.252 45 I HA -0.310 3.871 4.170 0.018 0.000 0.245 45 I C 2.707 178.944 176.117 0.200 0.000 1.102 45 I CA 1.226 62.622 61.300 0.159 0.000 1.385 45 I CB -0.756 37.364 38.000 0.200 0.000 1.064 45 I HN 0.376 nan 8.210 nan 0.000 0.414 46 H N 2.122 121.256 119.070 0.105 0.000 2.319 46 H HA -0.169 4.397 4.556 0.018 0.000 0.299 46 H C 1.802 177.177 175.328 0.079 0.000 1.092 46 H CA 1.947 58.045 56.048 0.083 0.000 1.302 46 H CB 0.018 29.815 29.762 0.058 0.000 1.373 46 H HN 0.323 nan 8.280 nan 0.000 0.497 47 N N 0.263 119.041 118.700 0.129 0.000 2.223 47 N HA -0.167 4.584 4.740 0.018 0.000 0.185 47 N C 2.021 177.560 175.510 0.047 0.000 1.016 47 N CA 0.727 53.812 53.050 0.058 0.000 0.863 47 N CB -0.850 37.703 38.487 0.111 0.000 0.983 47 N HN 0.609 nan 8.380 nan 0.000 0.429 48 H N 0.309 119.371 119.070 -0.013 0.000 2.456 48 H HA -0.092 4.475 4.556 0.019 0.000 0.296 48 H C 1.134 176.440 175.328 -0.036 0.000 1.079 48 H CA 1.223 57.264 56.048 -0.012 0.000 1.322 48 H CB 0.093 29.863 29.762 0.013 0.000 1.388 48 H HN 0.376 nan 8.280 nan 0.000 0.538 49 G N 0.724 109.494 108.800 -0.050 0.000 2.184 49 G HA2 -0.303 3.668 3.960 0.018 0.000 0.264 49 G HA3 -0.303 3.668 3.960 0.018 0.000 0.264 49 G C 0.067 174.920 174.900 -0.078 0.000 0.975 49 G CA 0.835 45.864 45.100 -0.118 0.000 0.642 49 G HN 0.687 nan 8.290 nan 0.000 0.536 50 K N -1.797 118.596 120.400 -0.011 0.000 2.617 50 K HA 0.579 4.910 4.320 0.018 0.000 0.293 50 K C -3.481 173.224 176.600 0.175 0.000 1.034 50 K CA -1.995 54.314 56.287 0.038 0.000 0.884 50 K CB 0.791 33.268 32.500 -0.038 0.000 1.541 50 K HN -0.066 nan 8.250 nan 0.000 0.409 51 P HA 0.057 nan 4.420 nan 0.000 0.264 51 P C -0.745 176.666 177.300 0.185 0.000 1.183 51 P CA 0.016 63.201 63.100 0.140 0.000 0.763 51 P CB 0.362 32.105 31.700 0.071 0.000 0.807 52 I N 2.709 123.357 120.570 0.129 0.000 2.392 52 I HA 0.248 4.429 4.170 0.018 0.000 0.295 52 I C 0.538 176.647 176.117 -0.013 0.000 0.985 52 I CA -0.489 60.804 61.300 -0.012 0.000 1.221 52 I CB 1.331 39.216 38.000 -0.191 0.000 1.366 52 I HN 0.359 nan 8.210 nan 0.000 0.467 53 T N 4.048 118.580 114.554 -0.038 0.000 2.868 53 T HA 0.089 4.450 4.350 0.018 0.000 0.292 53 T C 0.991 175.699 174.700 0.013 0.000 1.028 53 T CA -0.632 61.437 62.100 -0.052 0.000 1.059 53 T CB 1.313 70.163 68.868 -0.029 0.000 0.991 53 T HN 0.609 nan 8.240 nan 0.000 0.531 54 L N 1.848 123.095 121.223 0.039 0.000 2.042 54 L HA -0.043 4.308 4.340 0.018 0.000 0.210 54 L C 2.649 179.563 176.870 0.074 0.000 1.076 54 L CA 1.938 56.880 54.840 0.170 0.000 0.749 54 L CB -1.337 40.825 42.059 0.172 0.000 0.893 54 L HN 0.855 nan 8.230 nan 0.000 0.432 55 S N -0.383 115.336 115.700 0.032 0.000 2.370 55 S HA -0.237 4.244 4.470 0.018 0.000 0.226 55 S C 1.884 176.486 174.600 0.003 0.000 1.033 55 S CA 1.801 60.011 58.200 0.017 0.000 1.011 55 S CB -0.704 62.502 63.200 0.009 0.000 0.852 55 S HN 0.656 nan 8.310 nan 0.000 0.457 56 N N 0.587 119.278 118.700 -0.015 0.000 2.188 56 N HA 0.028 4.779 4.740 0.018 0.000 0.184 56 N C 1.855 177.324 175.510 -0.069 0.000 1.018 56 N CA 0.486 53.507 53.050 -0.048 0.000 0.858 56 N CB -0.077 38.355 38.487 -0.093 0.000 0.989 56 N HN 0.279 nan 8.380 nan 0.000 0.426 57 L N 1.047 122.240 121.223 -0.051 0.000 2.005 57 L HA -0.115 4.236 4.340 0.018 0.000 0.207 57 L C 2.368 179.220 176.870 -0.030 0.000 1.072 57 L CA 1.356 56.165 54.840 -0.052 0.000 0.744 57 L CB -0.460 41.592 42.059 -0.013 0.000 0.895 57 L HN 0.184 nan 8.230 nan 0.000 0.433 58 V N -3.833 116.082 119.914 0.002 0.000 2.626 58 V HA -0.184 3.947 4.120 0.018 0.000 0.252 58 V C 2.560 178.656 176.094 0.003 0.000 1.067 58 V CA 1.819 64.126 62.300 0.012 0.000 1.081 58 V CB -0.632 31.209 31.823 0.030 0.000 0.686 58 V HN 0.472 nan 8.190 nan 0.000 0.468 59 S N 0.704 116.402 115.700 -0.003 0.000 2.345 59 S HA -0.103 4.378 4.470 0.018 0.000 0.220 59 S C 1.920 176.514 174.600 -0.009 0.000 1.031 59 S CA 1.899 60.097 58.200 -0.003 0.000 0.996 59 S CB -0.531 62.666 63.200 -0.004 0.000 0.882 59 S HN 0.636 nan 8.310 nan 0.000 0.445 60 I N 1.228 121.785 120.570 -0.022 0.000 2.226 60 I HA -0.152 4.029 4.170 0.018 0.000 0.245 60 I C 2.079 178.182 176.117 -0.023 0.000 1.100 60 I CA 1.119 62.405 61.300 -0.023 0.000 1.374 60 I CB -0.297 37.680 38.000 -0.039 0.000 1.057 60 I HN 0.321 nan 8.210 nan 0.000 0.413 61 L N -0.162 121.045 121.223 -0.027 0.000 2.376 61 L HA -0.093 4.258 4.340 0.018 0.000 0.219 61 L C 0.617 177.483 176.870 -0.007 0.000 1.133 61 L CA 0.503 55.327 54.840 -0.026 0.000 0.816 61 L CB -0.357 41.685 42.059 -0.029 0.000 0.933 61 L HN 0.356 nan 8.230 nan 0.000 0.449 62 Q N 0.416 120.216 119.800 -0.000 0.000 2.470 62 Q HA -0.189 4.162 4.340 0.018 0.000 0.294 62 Q C -0.401 175.609 176.000 0.017 0.000 1.356 62 Q CA 0.151 55.958 55.803 0.007 0.000 0.805 62 Q CB -1.431 27.310 28.738 0.004 0.000 1.157 62 Q HN 0.301 nan 8.270 nan 0.000 0.431 63 I N 1.126 121.711 120.570 0.024 0.000 2.588 63 I HA 0.158 4.338 4.170 0.018 0.000 0.283 63 I C -1.379 174.756 176.117 0.029 0.000 1.119 63 I CA -1.787 59.535 61.300 0.038 0.000 1.419 63 I CB -0.135 37.897 38.000 0.052 0.000 1.394 63 I HN -0.003 nan 8.210 nan 0.000 0.562 64 P HA 0.060 nan 4.420 nan 0.000 0.268 64 P C 0.964 178.275 177.300 0.018 0.000 1.205 64 P CA -0.099 63.014 63.100 0.021 0.000 0.771 64 P CB 0.581 32.293 31.700 0.020 0.000 0.858 65 S N 1.318 117.026 115.700 0.014 0.000 2.387 65 S HA -0.223 4.258 4.470 0.018 0.000 0.230 65 S C 1.623 176.229 174.600 0.009 0.000 1.035 65 S CA 2.035 60.242 58.200 0.011 0.000 1.014 65 S CB -1.815 61.390 63.200 0.009 0.000 0.836 65 S HN 0.613 nan 8.310 nan 0.000 0.466 66 T N -1.808 112.751 114.554 0.007 0.000 3.163 66 T HA 0.218 4.579 4.350 0.018 0.000 0.260 66 T C 1.220 175.920 174.700 -0.001 0.000 1.156 66 T CA 0.385 62.487 62.100 0.002 0.000 1.072 66 T CB -0.139 68.730 68.868 0.001 0.000 0.937 66 T HN 0.259 nan 8.240 nan 0.000 0.528 67 K N 0.342 120.745 120.400 0.005 0.000 2.438 67 K HA 0.379 4.710 4.320 0.018 0.000 0.206 67 K C 1.696 178.301 176.600 0.007 0.000 1.081 67 K CA -0.030 56.258 56.287 0.001 0.000 1.053 67 K CB 0.460 32.967 32.500 0.012 0.000 0.908 67 K HN 0.254 nan 8.250 nan 0.000 0.556 68 V N 2.401 122.323 119.914 0.014 0.000 2.332 68 V HA -0.293 3.838 4.120 0.018 0.000 0.248 68 V C 2.080 178.183 176.094 0.015 0.000 1.055 68 V CA 2.652 64.966 62.300 0.023 0.000 1.038 68 V CB -0.530 31.307 31.823 0.023 0.000 0.651 68 V HN 0.455 nan 8.190 nan 0.000 0.450 69 D N -0.500 119.902 120.400 0.002 0.000 2.219 69 D HA -0.174 4.477 4.640 0.018 0.000 0.205 69 D C 1.684 177.965 176.300 -0.032 0.000 0.970 69 D CA 1.324 55.321 54.000 -0.005 0.000 0.851 69 D CB -0.466 40.328 40.800 -0.010 0.000 0.943 69 D HN 0.442 nan 8.370 nan 0.000 0.488 70 N N 0.366 119.035 118.700 -0.051 0.000 2.142 70 N HA -0.095 4.656 4.740 0.018 0.000 0.186 70 N C 1.905 177.323 175.510 -0.152 0.000 1.023 70 N CA 1.109 54.095 53.050 -0.106 0.000 0.852 70 N CB 0.034 38.455 38.487 -0.110 0.000 0.998 70 N HN 0.171 nan 8.380 nan 0.000 0.424 71 V N 1.826 121.690 119.914 -0.084 0.000 2.427 71 V HA -0.208 3.923 4.120 0.018 0.000 0.248 71 V C 2.608 178.677 176.094 -0.041 0.000 1.051 71 V CA 1.450 63.723 62.300 -0.045 0.000 1.048 71 V CB -0.557 31.337 31.823 0.118 0.000 0.666 71 V HN 0.341 nan 8.190 nan 0.000 0.456 72 Q N 0.032 119.828 119.800 -0.006 0.000 2.084 72 Q HA -0.216 4.135 4.340 0.018 0.000 0.202 72 Q C 2.472 178.486 176.000 0.023 0.000 0.978 72 Q CA 1.646 57.474 55.803 0.042 0.000 0.844 72 Q CB 0.002 28.781 28.738 0.069 0.000 0.898 72 Q HN 0.586 nan 8.270 nan 0.000 0.426 73 R N -0.194 120.290 120.500 -0.027 0.000 2.115 73 R HA -0.051 4.300 4.340 0.018 0.000 0.226 73 R C 2.391 178.673 176.300 -0.031 0.000 1.100 73 R CA 0.881 56.963 56.100 -0.030 0.000 0.980 73 R CB -0.156 30.097 30.300 -0.078 0.000 0.875 73 R HN 0.287 nan 8.270 nan 0.000 0.445 74 L N 0.052 121.196 121.223 -0.132 0.000 2.056 74 L HA -0.137 4.214 4.340 0.018 0.000 0.207 74 L C 2.466 179.361 176.870 0.042 0.000 1.078 74 L CA 0.941 55.687 54.840 -0.156 0.000 0.749 74 L CB -0.233 41.443 42.059 -0.639 0.000 0.901 74 L HN 0.186 nan 8.230 nan 0.000 0.433 75 M N -0.700 118.895 119.600 -0.009 0.000 2.159 75 M HA -0.194 4.297 4.480 0.018 0.000 0.263 75 M C 2.384 178.748 176.300 0.107 0.000 1.063 75 M CA 1.496 56.746 55.300 -0.084 0.000 1.110 75 M CB -1.141 31.093 32.600 -0.611 0.000 1.374 75 M HN 0.145 nan 8.290 nan 0.000 0.411 76 R N -0.081 120.512 120.500 0.155 0.000 2.075 76 R HA -0.185 4.166 4.340 0.018 0.000 0.232 76 R C 2.094 178.553 176.300 0.265 0.000 1.126 76 R CA 1.581 57.817 56.100 0.226 0.000 0.963 76 R CB -1.026 29.380 30.300 0.176 0.000 0.858 76 R HN 0.308 nan 8.270 nan 0.000 0.435 77 Y N 0.452 120.816 120.300 0.106 0.000 2.200 77 Y HA -0.045 4.520 4.550 0.024 0.000 0.290 77 Y C 1.727 177.760 175.900 0.221 0.000 1.137 77 Y CA 1.620 59.786 58.100 0.110 0.000 1.163 77 Y CB -0.289 38.181 38.460 0.017 0.000 0.988 77 Y HN 0.063 nan 8.280 nan 0.000 0.518 78 L N -0.547 120.781 121.223 0.174 0.000 2.083 78 L HA -0.210 4.141 4.340 0.018 0.000 0.209 78 L C 2.741 179.795 176.870 0.307 0.000 1.083 78 L CA 1.150 56.143 54.840 0.256 0.000 0.752 78 L CB -0.933 41.409 42.059 0.472 0.000 0.899 78 L HN 0.285 nan 8.230 nan 0.000 0.433 79 A N -0.898 122.135 122.820 0.355 0.000 1.877 79 A HA -0.292 4.039 4.320 0.018 0.000 0.216 79 A C 2.305 179.973 177.584 0.140 0.000 1.186 79 A CA 1.770 53.994 52.037 0.311 0.000 0.620 79 A CB -0.939 18.270 19.000 0.349 0.000 0.822 79 A HN 0.501 nan 8.150 nan 0.000 0.443 80 H N 0.333 119.429 119.070 0.044 0.000 2.352 80 H HA -0.102 4.466 4.556 0.020 0.000 0.299 80 H C 1.035 176.302 175.328 -0.101 0.000 1.097 80 H CA 1.797 57.836 56.048 -0.016 0.000 1.311 80 H CB -0.093 29.675 29.762 0.011 0.000 1.377 80 H HN 0.370 nan 8.280 nan 0.000 0.504 81 N N -0.139 118.522 118.700 -0.065 0.000 2.521 81 N HA -0.002 4.749 4.740 0.018 0.000 0.188 81 N C 1.107 176.426 175.510 -0.320 0.000 1.146 81 N CA 0.983 53.945 53.050 -0.147 0.000 0.893 81 N CB 0.209 38.617 38.487 -0.131 0.000 0.975 81 N HN 0.644 nan 8.380 nan 0.000 0.451 82 G N -0.703 107.912 108.800 -0.308 0.000 2.163 82 G HA2 -0.248 3.723 3.960 0.018 0.000 0.213 82 G HA3 -0.248 3.723 3.960 0.018 0.000 0.213 82 G C 0.495 175.033 174.900 -0.603 0.000 0.991 82 G CA -0.227 44.608 45.100 -0.443 0.000 0.653 82 G HN 0.304 nan 8.290 nan 0.000 0.518 83 F N -0.287 119.539 119.950 -0.208 0.000 2.698 83 F HA 0.563 5.100 4.527 0.017 0.000 0.295 83 F C 0.940 176.241 175.800 -0.832 0.000 1.124 83 F CA 0.205 57.911 58.000 -0.489 0.000 1.426 83 F CB 0.186 38.863 39.000 -0.539 0.000 1.120 83 F HN 0.130 nan 8.300 nan 0.000 0.583 84 F N -1.047 118.995 119.950 0.153 0.000 2.645 84 F HA 0.341 4.878 4.527 0.017 0.000 0.310 84 F C -0.364 175.509 175.800 0.122 0.000 1.102 84 F CA -1.409 56.683 58.000 0.154 0.000 0.952 84 F CB 1.477 40.596 39.000 0.198 0.000 1.326 84 F HN -0.428 nan 8.300 nan 0.000 0.456 85 E N 2.236 122.637 120.200 0.336 0.000 2.158 85 E HA 0.523 4.884 4.350 0.018 0.000 0.271 85 E C -1.341 175.382 176.600 0.205 0.000 0.911 85 E CA -0.502 56.016 56.400 0.196 0.000 0.767 85 E CB 1.331 31.102 29.700 0.118 0.000 1.120 85 E HN 0.522 nan 8.360 nan 0.000 0.405 86 I N 5.421 126.080 120.570 0.149 0.000 2.342 86 I HA 0.207 4.388 4.170 0.018 0.000 0.291 86 I C -0.186 175.924 176.117 -0.011 0.000 1.010 86 I CA -0.651 60.680 61.300 0.052 0.000 1.308 86 I CB 0.751 38.792 38.000 0.068 0.000 1.400 86 I HN 0.401 nan 8.210 nan 0.000 0.488 87 I N 5.527 126.053 120.570 -0.073 0.000 2.377 87 I HA 0.230 4.411 4.170 0.018 0.000 0.293 87 I C 0.796 176.864 176.117 -0.081 0.000 0.987 87 I CA -0.437 60.831 61.300 -0.053 0.000 1.185 87 I CB 1.485 39.463 38.000 -0.036 0.000 1.341 87 I HN 0.562 nan 8.210 nan 0.000 0.455 88 T N 3.328 117.853 114.554 -0.049 0.000 2.788 88 T HA 0.303 4.663 4.350 0.018 0.000 0.287 88 T C 0.544 175.218 174.700 -0.043 0.000 1.007 88 T CA -0.699 61.372 62.100 -0.047 0.000 1.005 88 T CB 0.898 69.751 68.868 -0.026 0.000 1.012 88 T HN 0.452 nan 8.240 nan 0.000 0.530 89 N N 0.910 119.586 118.700 -0.039 0.000 2.288 89 N HA 0.052 4.803 4.740 0.018 0.000 0.237 89 N C 1.470 176.969 175.510 -0.020 0.000 1.311 89 N CA -0.251 52.781 53.050 -0.030 0.000 0.909 89 N CB 0.519 38.989 38.487 -0.027 0.000 1.167 89 N HN 0.717 nan 8.380 nan 0.000 0.476 90 Q N -0.077 119.714 119.800 -0.015 0.000 2.163 90 Q HA 0.049 4.399 4.340 0.018 0.000 0.198 90 Q C -0.189 175.806 176.000 -0.009 0.000 0.954 90 Q CA 0.802 56.599 55.803 -0.010 0.000 0.851 90 Q CB 0.284 29.018 28.738 -0.008 0.000 0.928 90 Q HN 0.489 nan 8.270 nan 0.000 0.459 91 E N 1.316 121.511 120.200 -0.009 0.000 2.227 91 E HA 0.295 4.656 4.350 0.018 0.000 0.268 91 E C -0.441 176.155 176.600 -0.007 0.000 0.990 91 E CA -0.703 55.692 56.400 -0.007 0.000 0.856 91 E CB 1.302 30.998 29.700 -0.006 0.000 1.159 91 E HN 0.010 nan 8.360 nan 0.000 0.401 92 L N -1.110 120.110 121.223 -0.006 0.000 2.399 92 L HA 0.383 4.734 4.340 0.018 0.000 0.266 92 L C 0.588 177.455 176.870 -0.005 0.000 1.114 92 L CA -0.333 54.504 54.840 -0.005 0.000 0.804 92 L CB 0.342 42.399 42.059 -0.004 0.000 1.146 92 L HN 0.468 nan 8.230 nan 0.000 0.451 93 E N 0.033 120.231 120.200 -0.005 0.000 2.868 93 E HA -0.280 4.080 4.350 0.018 0.000 0.278 93 E C -0.824 175.773 176.600 -0.005 0.000 1.009 93 E CA 0.919 57.317 56.400 -0.004 0.000 0.856 93 E CB -1.603 28.095 29.700 -0.003 0.000 1.428 93 E HN 0.996 nan 8.360 nan 0.000 0.423 94 N N 0.488 119.184 118.700 -0.006 0.000 2.699 94 N HA 0.090 4.841 4.740 0.018 0.000 0.271 94 N C -1.236 174.268 175.510 -0.010 0.000 1.216 94 N CA -0.252 52.794 53.050 -0.007 0.000 0.844 94 N CB 1.144 39.627 38.487 -0.006 0.000 1.462 94 N HN -0.022 nan 8.380 nan 0.000 0.555 95 E N 1.607 121.801 120.200 -0.009 0.000 2.200 95 E HA 0.201 4.562 4.350 0.018 0.000 0.283 95 E C -0.663 175.926 176.600 -0.017 0.000 1.015 95 E CA -0.139 56.253 56.400 -0.014 0.000 0.819 95 E CB 1.584 31.279 29.700 -0.008 0.000 1.081 95 E HN 0.391 nan 8.360 nan 0.000 0.397 96 E N 3.756 123.937 120.200 -0.032 0.000 2.551 96 E HA 0.040 4.401 4.350 0.018 0.000 0.321 96 E C -1.247 175.299 176.600 -0.091 0.000 0.975 96 E CA -0.396 55.977 56.400 -0.045 0.000 0.784 96 E CB 0.428 30.105 29.700 -0.038 0.000 1.493 96 E HN 0.453 nan 8.360 nan 0.000 0.385 97 E N 2.157 122.270 120.200 -0.146 0.000 2.280 97 E HA 0.791 5.152 4.350 0.018 0.000 0.261 97 E C -0.512 175.843 176.600 -0.409 0.000 1.088 97 E CA -1.247 55.003 56.400 -0.249 0.000 0.915 97 E CB 1.584 31.119 29.700 -0.276 0.000 1.141 97 E HN 0.323 nan 8.360 nan 0.000 0.433 98 A N 0.798 123.363 122.820 -0.424 0.000 2.384 98 A HA 0.577 4.908 4.320 0.018 0.000 0.312 98 A C -1.694 175.564 177.584 -0.544 0.000 1.113 98 A CA -0.754 51.032 52.037 -0.418 0.000 0.779 98 A CB 0.749 19.664 19.000 -0.142 0.000 1.307 98 A HN 0.548 nan 8.150 nan 0.000 0.436 99 Y N 0.130 120.430 120.300 0.000 0.000 2.364 99 Y HA 0.629 5.190 4.550 0.018 0.000 0.340 99 Y C 0.553 176.508 175.900 0.092 0.000 0.975 99 Y CA -0.326 57.785 58.100 0.017 0.000 1.089 99 Y CB 1.934 40.310 38.460 -0.140 0.000 1.192 99 Y HN 0.872 nan 8.280 nan 0.000 0.454 100 A N 3.642 126.641 122.820 0.298 0.000 2.354 100 A HA 0.816 5.147 4.320 0.018 0.000 0.321 100 A C -0.779 177.012 177.584 0.345 0.000 1.125 100 A CA -0.843 51.347 52.037 0.254 0.000 0.799 100 A CB 0.949 20.043 19.000 0.156 0.000 1.293 100 A HN 0.807 nan 8.150 nan 0.000 0.452 101 L N 0.671 122.057 121.223 0.271 0.000 2.475 101 L HA 0.500 4.851 4.340 0.018 0.000 0.253 101 L C 1.073 178.003 176.870 0.099 0.000 1.198 101 L CA -0.190 54.776 54.840 0.211 0.000 0.814 101 L CB 1.010 43.170 42.059 0.169 0.000 1.134 101 L HN 0.980 nan 8.230 nan 0.000 0.478 102 T N -3.294 111.265 114.554 0.008 0.000 2.858 102 T HA 0.342 4.703 4.350 0.018 0.000 0.285 102 T C 0.852 175.528 174.700 -0.040 0.000 1.052 102 T CA -0.809 61.273 62.100 -0.031 0.000 1.009 102 T CB 1.356 70.163 68.868 -0.102 0.000 1.241 102 T HN 0.140 nan 8.240 nan 0.000 0.542 103 V N 1.099 120.981 119.914 -0.052 0.000 2.407 103 V HA -0.094 4.037 4.120 0.018 0.000 0.248 103 V C 3.151 179.215 176.094 -0.049 0.000 1.055 103 V CA 2.394 64.669 62.300 -0.042 0.000 1.049 103 V CB -1.656 30.138 31.823 -0.048 0.000 0.662 103 V HN 1.048 nan 8.190 nan 0.000 0.455 104 A N 0.932 123.695 122.820 -0.095 0.000 1.902 104 A HA -0.211 4.120 4.320 0.018 0.000 0.217 104 A C 2.483 180.098 177.584 0.051 0.000 1.181 104 A CA 2.385 54.382 52.037 -0.066 0.000 0.623 104 A CB -0.704 18.113 19.000 -0.305 0.000 0.818 104 A HN 0.692 nan 8.150 nan 0.000 0.443 105 S N -0.385 115.313 115.700 -0.004 0.000 2.496 105 S HA -0.034 4.447 4.470 0.018 0.000 0.224 105 S C 1.423 176.017 174.600 -0.010 0.000 0.996 105 S CA 0.898 59.078 58.200 -0.032 0.000 0.927 105 S CB -0.281 62.771 63.200 -0.248 0.000 0.774 105 S HN 0.674 nan 8.310 nan 0.000 0.524 106 E N 1.261 121.460 120.200 -0.001 0.000 2.268 106 E HA 0.054 4.415 4.350 0.018 0.000 0.195 106 E C 1.480 178.069 176.600 -0.018 0.000 0.995 106 E CA 0.701 57.104 56.400 0.006 0.000 0.836 106 E CB -0.330 29.380 29.700 0.017 0.000 0.763 106 E HN 0.518 nan 8.360 nan 0.000 0.491 107 L N 0.506 121.722 121.223 -0.011 0.000 2.552 107 L HA -0.025 4.326 4.340 0.018 0.000 0.227 107 L C 1.609 178.466 176.870 -0.021 0.000 1.146 107 L CA 0.321 55.153 54.840 -0.015 0.000 0.858 107 L CB 0.150 42.211 42.059 0.002 0.000 0.969 107 L HN 0.153 nan 8.230 nan 0.000 0.451 108 L N -1.026 120.182 121.223 -0.025 0.000 2.693 108 L HA 0.144 4.495 4.340 0.018 0.000 0.235 108 L C 0.281 177.120 176.870 -0.053 0.000 1.127 108 L CA -0.302 54.513 54.840 -0.041 0.000 0.914 108 L CB 0.676 42.702 42.059 -0.054 0.000 1.193 108 L HN -0.110 nan 8.230 nan 0.000 0.502 109 V N 1.786 121.659 119.914 -0.069 0.000 2.370 109 V HA 0.051 4.182 4.120 0.018 0.000 0.257 109 V C 0.560 176.581 176.094 -0.123 0.000 1.064 109 V CA -0.474 61.756 62.300 -0.116 0.000 0.975 109 V CB -0.133 31.557 31.823 -0.222 0.000 1.067 109 V HN 0.270 nan 8.190 nan 0.000 0.485 110 K N 3.388 123.733 120.400 -0.092 0.000 2.469 110 K HA 0.368 4.699 4.320 0.018 0.000 0.274 110 K C 1.379 177.928 176.600 -0.085 0.000 0.983 110 K CA 0.759 57.001 56.287 -0.075 0.000 0.974 110 K CB 0.287 32.752 32.500 -0.057 0.000 0.913 110 K HN 0.935 nan 8.250 nan 0.000 0.493 111 G N 1.006 109.766 108.800 -0.067 0.000 2.258 111 G HA2 -0.299 3.672 3.960 0.018 0.000 0.233 111 G HA3 -0.299 3.672 3.960 0.018 0.000 0.233 111 G C 0.306 175.166 174.900 -0.066 0.000 1.006 111 G CA 0.299 45.364 45.100 -0.059 0.000 0.620 111 G HN 0.770 nan 8.290 nan 0.000 0.511 112 T N -1.451 113.049 114.554 -0.090 0.000 2.882 112 T HA 0.618 4.979 4.350 0.018 0.000 0.287 112 T C 1.084 175.750 174.700 -0.055 0.000 1.014 112 T CA 0.627 62.678 62.100 -0.082 0.000 1.049 112 T CB 2.335 71.137 68.868 -0.111 0.000 1.001 112 T HN 0.331 nan 8.240 nan 0.000 0.525 113 E N 0.603 120.777 120.200 -0.043 0.000 2.085 113 E HA -0.098 4.263 4.350 0.018 0.000 0.194 113 E C 1.415 177.992 176.600 -0.039 0.000 0.994 113 E CA 1.044 57.422 56.400 -0.037 0.000 0.801 113 E CB -0.186 29.495 29.700 -0.033 0.000 0.743 113 E HN 0.730 nan 8.360 nan 0.000 0.453 114 L N 0.797 121.996 121.223 -0.040 0.000 2.629 114 L HA 0.150 4.501 4.340 0.018 0.000 0.230 114 L C 0.705 177.552 176.870 -0.038 0.000 1.151 114 L CA -0.770 54.046 54.840 -0.039 0.000 0.924 114 L CB 0.106 42.142 42.059 -0.038 0.000 1.137 114 L HN 0.228 nan 8.230 nan 0.000 0.457 115 C N 1.355 120.629 119.300 -0.043 0.000 2.523 115 C HA 0.000 4.471 4.460 0.018 0.000 0.406 115 C C 1.680 176.650 174.990 -0.033 0.000 1.449 115 C CA 0.042 59.034 59.018 -0.042 0.000 1.588 115 C CB -0.401 27.308 27.740 -0.051 0.000 2.514 115 C HN 0.471 nan 8.230 nan 0.000 0.606 116 L N 5.677 126.885 121.223 -0.026 0.000 2.728 116 L HA 0.173 4.523 4.340 0.018 0.000 0.238 116 L C 2.300 179.159 176.870 -0.019 0.000 1.143 116 L CA 0.452 55.281 54.840 -0.018 0.000 0.937 116 L CB -0.620 41.436 42.059 -0.005 0.000 1.225 116 L HN 0.903 nan 8.230 nan 0.000 0.507 117 A N 1.544 124.346 122.820 -0.029 0.000 1.917 117 A HA -0.141 4.190 4.320 0.018 0.000 0.219 117 A C -0.235 177.335 177.584 -0.024 0.000 1.182 117 A CA 1.755 53.772 52.037 -0.034 0.000 0.633 117 A CB -1.479 17.494 19.000 -0.045 0.000 0.819 117 A HN 0.258 nan 8.150 nan 0.000 0.448 118 P HA -0.161 nan 4.420 nan 0.000 0.216 118 P C 1.681 178.978 177.300 -0.006 0.000 1.150 118 P CA 1.484 64.575 63.100 -0.015 0.000 0.837 118 P CB -0.123 31.564 31.700 -0.021 0.000 0.786 119 M N -0.442 119.152 119.600 -0.009 0.000 2.086 119 M HA -0.112 4.378 4.480 0.018 0.000 0.261 119 M C 1.768 178.080 176.300 0.020 0.000 1.067 119 M CA 1.908 57.209 55.300 0.002 0.000 1.116 119 M CB -1.295 31.306 32.600 0.002 0.000 1.348 119 M HN -0.282 nan 8.290 nan 0.000 0.407 120 V N 0.513 120.433 119.914 0.010 0.000 2.295 120 V HA -0.279 3.852 4.120 0.018 0.000 0.246 120 V C 2.191 178.300 176.094 0.025 0.000 1.049 120 V CA 2.259 64.566 62.300 0.012 0.000 1.024 120 V CB -1.072 30.741 31.823 -0.016 0.000 0.648 120 V HN 0.529 nan 8.190 nan 0.000 0.447 121 E N -0.938 119.272 120.200 0.017 0.000 2.110 121 E HA -0.254 4.107 4.350 0.018 0.000 0.193 121 E C 2.274 178.908 176.600 0.057 0.000 0.988 121 E CA 1.615 58.031 56.400 0.026 0.000 0.804 121 E CB -0.376 29.328 29.700 0.007 0.000 0.745 121 E HN 0.666 nan 8.360 nan 0.000 0.458 122 C N 0.411 119.752 119.300 0.068 0.000 2.462 122 C HA -0.088 4.383 4.460 0.018 0.000 0.278 122 C C 2.728 177.802 174.990 0.140 0.000 1.253 122 C CA 0.555 59.644 59.018 0.119 0.000 1.713 122 C CB -0.744 27.068 27.740 0.120 0.000 2.049 122 C HN 0.208 nan 8.230 nan 0.000 0.477 123 V N 1.296 121.280 119.914 0.116 0.000 2.392 123 V HA -0.174 3.957 4.120 0.018 0.000 0.249 123 V C 2.044 178.212 176.094 0.123 0.000 1.059 123 V CA 1.891 64.268 62.300 0.127 0.000 1.051 123 V CB -0.584 31.292 31.823 0.088 0.000 0.658 123 V HN 0.602 nan 8.190 nan 0.000 0.455 124 L N 0.243 121.525 121.223 0.098 0.000 2.653 124 L HA 0.189 4.540 4.340 0.018 0.000 0.232 124 L C 0.523 177.462 176.870 0.115 0.000 1.169 124 L CA -0.188 54.711 54.840 0.098 0.000 0.951 124 L CB -0.409 41.695 42.059 0.075 0.000 1.181 124 L HN 0.340 nan 8.230 nan 0.000 0.460 125 D N 0.405 120.888 120.400 0.138 0.000 2.425 125 D HA 0.027 4.678 4.640 0.018 0.000 0.247 125 D C -1.438 174.962 176.300 0.167 0.000 1.147 125 D CA -1.223 52.870 54.000 0.156 0.000 0.879 125 D CB 1.394 42.330 40.800 0.227 0.000 1.179 125 D HN -0.128 nan 8.370 nan 0.000 0.456 126 P HA -0.191 nan 4.420 nan 0.000 0.214 126 P C 1.161 178.550 177.300 0.147 0.000 1.169 126 P CA 1.641 64.825 63.100 0.140 0.000 0.908 126 P CB 0.055 31.826 31.700 0.119 0.000 0.791 127 T N -0.296 114.364 114.554 0.176 0.000 2.684 127 T HA -0.132 4.229 4.350 0.018 0.000 0.267 127 T C 1.772 176.500 174.700 0.046 0.000 1.036 127 T CA 1.250 63.426 62.100 0.127 0.000 1.148 127 T CB -0.978 68.016 68.868 0.211 0.000 0.863 127 T HN 0.044 nan 8.240 nan 0.000 0.436 128 L N 1.400 122.673 121.223 0.083 0.000 2.005 128 L HA -0.077 4.274 4.340 0.018 0.000 0.207 128 L C 2.990 180.023 176.870 0.272 0.000 1.072 128 L CA 1.546 56.445 54.840 0.098 0.000 0.744 128 L CB -0.885 41.230 42.059 0.095 0.000 0.895 128 L HN 0.368 nan 8.230 nan 0.000 0.433 129 S N -0.830 115.020 115.700 0.251 0.000 2.423 129 S HA -0.170 4.311 4.470 0.018 0.000 0.231 129 S C 1.964 176.740 174.600 0.293 0.000 1.014 129 S CA 1.387 59.763 58.200 0.293 0.000 0.965 129 S CB -1.030 62.279 63.200 0.182 0.000 0.785 129 S HN 0.587 nan 8.310 nan 0.000 0.495 130 T N -0.489 114.191 114.554 0.210 0.000 3.072 130 T HA 0.064 4.425 4.350 0.018 0.000 0.266 130 T C 1.742 176.537 174.700 0.158 0.000 1.127 130 T CA 1.032 63.271 62.100 0.232 0.000 1.107 130 T CB -0.796 68.169 68.868 0.161 0.000 0.910 130 T HN 0.391 nan 8.240 nan 0.000 0.513 131 S N 1.371 117.094 115.700 0.038 0.000 2.400 131 S HA -0.007 4.474 4.470 0.018 0.000 0.232 131 S C 1.231 175.653 174.600 -0.296 0.000 1.025 131 S CA 0.902 58.988 58.200 -0.191 0.000 0.993 131 S CB -0.684 62.262 63.200 -0.422 0.000 0.808 131 S HN 0.606 nan 8.310 nan 0.000 0.478 132 F N 0.865 120.705 119.950 -0.182 0.000 2.641 132 F HA -0.010 4.527 4.527 0.018 0.000 0.298 132 F C 2.085 177.784 175.800 -0.168 0.000 1.146 132 F CA 0.684 58.553 58.000 -0.219 0.000 1.464 132 F CB -0.520 38.350 39.000 -0.216 0.000 1.101 132 F HN 0.283 nan 8.300 nan 0.000 0.585 133 H N -0.697 118.388 119.070 0.024 0.000 2.495 133 H HA 0.024 4.590 4.556 0.017 0.000 0.287 133 H C 0.814 176.135 175.328 -0.011 0.000 1.033 133 H CA 0.949 56.995 56.048 -0.003 0.000 1.307 133 H CB 0.010 29.754 29.762 -0.029 0.000 1.401 133 H HN 0.040 nan 8.280 nan 0.000 0.555 134 N N 0.632 119.371 118.700 0.065 0.000 2.538 134 N HA 0.063 4.814 4.740 0.018 0.000 0.291 134 N C 0.793 176.347 175.510 0.072 0.000 1.323 134 N CA 0.045 53.127 53.050 0.053 0.000 0.934 134 N CB 0.582 39.085 38.487 0.026 0.000 1.255 134 N HN 0.339 nan 8.380 nan 0.000 0.509 135 L N 0.329 121.604 121.223 0.086 0.000 2.079 135 L HA -0.209 4.141 4.340 0.018 0.000 0.210 135 L C 2.542 179.568 176.870 0.261 0.000 1.081 135 L CA 1.417 56.389 54.840 0.220 0.000 0.752 135 L CB -0.230 41.952 42.059 0.206 0.000 0.896 135 L HN 0.229 nan 8.230 nan 0.000 0.433 136 K N 0.925 121.426 120.400 0.168 0.000 2.009 136 K HA -0.269 4.062 4.320 0.018 0.000 0.210 136 K C 2.263 178.999 176.600 0.226 0.000 1.049 136 K CA 1.789 58.180 56.287 0.174 0.000 0.929 136 K CB -0.103 32.492 32.500 0.158 0.000 0.714 136 K HN 0.068 nan 8.250 nan 0.000 0.440 137 K N -0.361 120.151 120.400 0.186 0.000 2.063 137 K HA -0.220 4.111 4.320 0.018 0.000 0.208 137 K C 2.028 178.743 176.600 0.191 0.000 1.048 137 K CA 1.802 58.193 56.287 0.172 0.000 0.928 137 K CB -0.349 32.215 32.500 0.106 0.000 0.713 137 K HN 0.410 nan 8.250 nan 0.000 0.442 138 W N 1.449 122.736 121.300 -0.021 0.000 2.355 138 W HA -0.214 4.456 4.660 0.017 0.000 0.309 138 W C 1.605 178.079 176.519 -0.075 0.000 1.206 138 W CA 1.963 59.265 57.345 -0.071 0.000 1.284 138 W CB -0.555 28.819 29.460 -0.143 0.000 1.145 138 W HN -0.020 nan 8.180 nan 0.000 0.502 139 V N -1.530 118.133 119.914 -0.419 0.000 3.078 139 V HA -0.186 3.945 4.120 0.018 0.000 0.265 139 V C 1.292 177.028 176.094 -0.596 0.000 1.122 139 V CA 1.479 63.329 62.300 -0.750 0.000 1.141 139 V CB -1.681 29.769 31.823 -0.622 0.000 0.735 139 V HN 0.302 nan 8.190 nan 0.000 0.498 140 Y N -0.040 120.136 120.300 -0.207 0.000 2.468 140 Y HA 0.392 4.952 4.550 0.017 0.000 0.268 140 Y C 1.036 176.863 175.900 -0.123 0.000 1.177 140 Y CA -0.241 57.776 58.100 -0.138 0.000 1.265 140 Y CB 0.519 38.931 38.460 -0.081 0.000 1.103 140 Y HN 0.272 nan 8.280 nan 0.000 0.522 141 E N 1.359 121.524 120.200 -0.058 0.000 2.151 141 E HA 0.118 4.479 4.350 0.018 0.000 0.275 141 E C -0.388 176.153 176.600 -0.098 0.000 0.936 141 E CA -0.368 56.009 56.400 -0.038 0.000 0.777 141 E CB 1.078 30.781 29.700 0.006 0.000 1.108 141 E HN 0.245 nan 8.360 nan 0.000 0.401 142 E N 2.460 122.625 120.200 -0.057 0.000 2.366 142 E HA -0.038 4.323 4.350 0.018 0.000 0.266 142 E C 0.029 176.600 176.600 -0.049 0.000 1.015 142 E CA 0.339 56.699 56.400 -0.067 0.000 0.906 142 E CB 0.580 30.257 29.700 -0.039 0.000 0.979 142 E HN 0.439 nan 8.360 nan 0.000 0.443 143 D N 0.309 120.672 120.400 -0.062 0.000 2.382 143 D HA -0.258 4.393 4.640 0.018 0.000 0.163 143 D C 0.453 176.773 176.300 0.033 0.000 1.469 143 D CA 1.137 55.126 54.000 -0.018 0.000 1.338 143 D CB -0.851 39.947 40.800 -0.004 0.000 1.241 143 D HN 0.401 nan 8.370 nan 0.000 0.441 144 L N 1.954 123.208 121.223 0.051 0.000 2.456 144 L HA 0.136 4.487 4.340 0.018 0.000 0.272 144 L C 1.706 178.718 176.870 0.235 0.000 1.189 144 L CA 0.449 55.358 54.840 0.114 0.000 0.846 144 L CB 0.532 42.654 42.059 0.104 0.000 1.111 144 L HN 0.165 nan 8.230 nan 0.000 0.475 145 T N -0.469 114.192 114.554 0.178 0.000 2.726 145 T HA 0.103 4.464 4.350 0.018 0.000 0.294 145 T C 0.947 175.617 174.700 -0.049 0.000 1.013 145 T CA -0.697 61.491 62.100 0.147 0.000 0.996 145 T CB 1.002 69.915 68.868 0.076 0.000 1.016 145 T HN 0.489 nan 8.240 nan 0.000 0.529 146 L N 0.093 120.925 121.223 -0.651 0.000 2.046 146 L HA 0.099 4.450 4.340 0.018 0.000 0.208 146 L C 2.114 178.561 176.870 -0.705 0.000 1.077 146 L CA 1.690 55.832 54.840 -1.163 0.000 0.747 146 L CB -1.178 39.791 42.059 -1.818 0.000 0.896 146 L HN 0.738 nan 8.230 nan 0.000 0.432 147 F N -0.024 119.695 119.950 -0.385 0.000 2.146 147 F HA -0.085 4.453 4.527 0.018 0.000 0.298 147 F C 2.560 178.232 175.800 -0.213 0.000 1.096 147 F CA 1.134 58.946 58.000 -0.313 0.000 1.275 147 F CB -1.444 37.380 39.000 -0.294 0.000 1.008 147 F HN 0.182 nan 8.300 nan 0.000 0.480 148 A N -0.075 122.765 122.820 0.033 0.000 1.908 148 A HA -0.133 4.198 4.320 0.018 0.000 0.218 148 A C 2.379 179.965 177.584 0.003 0.000 1.181 148 A CA 2.013 54.060 52.037 0.017 0.000 0.627 148 A CB -1.213 17.815 19.000 0.046 0.000 0.818 148 A HN 0.195 nan 8.150 nan 0.000 0.445 149 V N 0.667 120.583 119.914 0.002 0.000 2.453 149 V HA -0.173 3.958 4.120 0.018 0.000 0.247 149 V C 1.949 178.030 176.094 -0.022 0.000 1.048 149 V CA 2.005 64.317 62.300 0.019 0.000 1.049 149 V CB -0.666 31.215 31.823 0.097 0.000 0.672 149 V HN 0.591 nan 8.190 nan 0.000 0.457 150 N N -0.667 117.986 118.700 -0.079 0.000 2.368 150 N HA 0.186 4.937 4.740 0.018 0.000 0.178 150 N C 1.496 176.968 175.510 -0.064 0.000 1.076 150 N CA 0.528 53.530 53.050 -0.079 0.000 0.889 150 N CB 0.651 39.056 38.487 -0.137 0.000 1.040 150 N HN 0.366 nan 8.380 nan 0.000 0.463 151 L N -0.532 120.651 121.223 -0.067 0.000 2.590 151 L HA 0.258 4.609 4.340 0.018 0.000 0.227 151 L C 1.310 178.171 176.870 -0.015 0.000 1.099 151 L CA 0.321 55.118 54.840 -0.071 0.000 0.872 151 L CB 0.208 42.147 42.059 -0.200 0.000 1.088 151 L HN 0.178 nan 8.230 nan 0.000 0.479 152 G N 0.357 109.145 108.800 -0.021 0.000 2.217 152 G HA2 -0.293 3.678 3.960 0.018 0.000 0.246 152 G HA3 -0.293 3.678 3.960 0.018 0.000 0.246 152 G C 0.227 175.107 174.900 -0.033 0.000 0.990 152 G CA 0.025 45.115 45.100 -0.017 0.000 0.627 152 G HN 0.464 nan 8.290 nan 0.000 0.522 153 C N -1.382 117.890 119.300 -0.047 0.000 3.311 153 C HA 0.725 5.196 4.460 0.018 0.000 0.325 153 C C -0.208 174.711 174.990 -0.119 0.000 1.352 153 C CA -1.229 57.725 59.018 -0.106 0.000 1.308 153 C CB 1.304 28.933 27.740 -0.186 0.000 1.619 153 C HN 0.253 nan 8.230 nan 0.000 0.469 154 D N 0.464 120.761 120.400 -0.172 0.000 2.378 154 D HA 0.165 4.816 4.640 0.018 0.000 0.238 154 D C 1.069 177.224 176.300 -0.242 0.000 1.180 154 D CA -0.192 53.743 54.000 -0.108 0.000 0.895 154 D CB 0.612 41.441 40.800 0.048 0.000 1.192 154 D HN 0.604 nan 8.370 nan 0.000 0.438 155 L N 1.974 123.089 121.223 -0.180 0.000 2.079 155 L HA -0.149 4.202 4.340 0.018 0.000 0.210 155 L C 2.184 178.931 176.870 -0.204 0.000 1.081 155 L CA 1.433 56.082 54.840 -0.318 0.000 0.752 155 L CB -0.546 41.238 42.059 -0.458 0.000 0.896 155 L HN 0.652 nan 8.230 nan 0.000 0.433 156 W N -0.439 120.773 121.300 -0.147 0.000 2.358 156 W HA -0.205 4.466 4.660 0.019 0.000 0.303 156 W C 1.879 178.346 176.519 -0.087 0.000 1.208 156 W CA 1.265 58.533 57.345 -0.128 0.000 1.274 156 W CB -1.026 28.389 29.460 -0.076 0.000 1.138 156 W HN 0.372 nan 8.180 nan 0.000 0.515 157 E N 0.371 119.858 120.200 -1.188 0.000 2.072 157 E HA -0.219 4.141 4.350 0.018 0.000 0.191 157 E C 2.161 178.474 176.600 -0.478 0.000 0.985 157 E CA 1.304 57.040 56.400 -1.106 0.000 0.801 157 E CB -0.650 28.279 29.700 -1.286 0.000 0.750 157 E HN 0.136 nan 8.360 nan 0.000 0.452 158 F N 1.399 121.049 119.950 -0.500 0.000 2.126 158 F HA -0.208 4.330 4.527 0.018 0.000 0.299 158 F C 1.885 177.482 175.800 -0.338 0.000 1.096 158 F CA 1.451 59.214 58.000 -0.394 0.000 1.255 158 F CB -0.121 38.623 39.000 -0.426 0.000 0.997 158 F HN 0.013 nan 8.300 nan 0.000 0.479 159 L N -0.133 120.961 121.223 -0.214 0.000 2.141 159 L HA -0.231 4.120 4.340 0.018 0.000 0.209 159 L C 2.218 178.984 176.870 -0.174 0.000 1.094 159 L CA 1.000 55.725 54.840 -0.191 0.000 0.763 159 L CB -0.843 41.137 42.059 -0.132 0.000 0.908 159 L HN 0.171 nan 8.230 nan 0.000 0.437 160 N N 0.570 119.176 118.700 -0.156 0.000 2.142 160 N HA -0.153 4.598 4.740 0.018 0.000 0.186 160 N C 1.741 177.153 175.510 -0.162 0.000 1.023 160 N CA 1.258 54.248 53.050 -0.101 0.000 0.852 160 N CB -0.091 38.364 38.487 -0.054 0.000 0.998 160 N HN 0.355 nan 8.380 nan 0.000 0.424 161 K N 0.377 120.616 120.400 -0.268 0.000 2.288 161 K HA 0.086 4.417 4.320 0.018 0.000 0.201 161 K C -0.058 176.349 176.600 -0.323 0.000 1.048 161 K CA 0.594 56.711 56.287 -0.285 0.000 0.956 161 K CB 0.174 32.477 32.500 -0.328 0.000 0.746 161 K HN 0.188 nan 8.250 nan 0.000 0.461 162 N N 0.898 119.340 118.700 -0.430 0.000 2.841 162 N HA 0.131 4.882 4.740 0.018 0.000 0.257 162 N C -2.535 172.925 175.510 -0.083 0.000 1.396 162 N CA -1.094 51.762 53.050 -0.323 0.000 0.823 162 N CB 1.599 39.663 38.487 -0.704 0.000 1.162 162 N HN -0.141 nan 8.380 nan 0.000 0.503 163 P HA -0.176 nan 4.420 nan 0.000 0.218 163 P C 0.839 178.176 177.300 0.061 0.000 1.146 163 P CA 1.418 64.525 63.100 0.011 0.000 0.820 163 P CB 0.447 32.144 31.700 -0.006 0.000 0.778 164 E N -1.581 118.663 120.200 0.073 0.000 2.171 164 E HA -0.213 4.148 4.350 0.018 0.000 0.197 164 E C 1.354 177.955 176.600 0.002 0.000 0.997 164 E CA 1.252 57.661 56.400 0.015 0.000 0.810 164 E CB -1.283 28.391 29.700 -0.043 0.000 0.738 164 E HN 0.456 nan 8.360 nan 0.000 0.467 165 Y N 0.346 120.649 120.300 0.005 0.000 2.578 165 Y HA 0.018 4.579 4.550 0.018 0.000 0.297 165 Y C 1.846 177.797 175.900 0.086 0.000 1.176 165 Y CA 0.414 58.552 58.100 0.063 0.000 1.315 165 Y CB -0.428 38.092 38.460 0.100 0.000 1.031 165 Y HN 0.070 nan 8.280 nan 0.000 0.524 166 N N -0.073 118.735 118.700 0.181 0.000 2.080 166 N HA -0.156 4.594 4.740 0.018 0.000 0.189 166 N C 1.732 177.331 175.510 0.148 0.000 1.036 166 N CA 2.116 55.261 53.050 0.158 0.000 0.846 166 N CB -0.270 38.276 38.487 0.098 0.000 1.015 166 N HN 0.090 nan 8.380 nan 0.000 0.423 167 T N 0.479 115.086 114.554 0.088 0.000 2.881 167 T HA -0.096 4.265 4.350 0.018 0.000 0.270 167 T C 1.680 176.418 174.700 0.063 0.000 1.068 167 T CA 0.755 62.890 62.100 0.058 0.000 1.131 167 T CB -0.231 68.650 68.868 0.022 0.000 0.871 167 T HN 0.151 nan 8.240 nan 0.000 0.479 168 L N -0.265 121.009 121.223 0.086 0.000 2.068 168 L HA 0.119 4.470 4.340 0.018 0.000 0.204 168 L C 2.085 179.043 176.870 0.146 0.000 1.076 168 L CA 1.507 56.401 54.840 0.090 0.000 0.753 168 L CB -0.637 41.469 42.059 0.078 0.000 0.910 168 L HN 0.203 nan 8.230 nan 0.000 0.439 169 Y N 0.260 120.611 120.300 0.084 0.000 2.163 169 Y HA -0.221 4.340 4.550 0.018 0.000 0.288 169 Y C 2.411 178.347 175.900 0.061 0.000 1.136 169 Y CA 1.989 60.138 58.100 0.082 0.000 1.147 169 Y CB -0.310 38.208 38.460 0.097 0.000 0.987 169 Y HN 0.310 nan 8.280 nan 0.000 0.509 170 N N 0.526 119.301 118.700 0.126 0.000 2.069 170 N HA -0.174 4.577 4.740 0.018 0.000 0.191 170 N C 1.295 176.786 175.510 -0.032 0.000 1.031 170 N CA 1.816 54.886 53.050 0.034 0.000 0.852 170 N CB -0.468 38.068 38.487 0.083 0.000 1.018 170 N HN 0.363 nan 8.380 nan 0.000 0.423 171 D N -0.163 120.232 120.400 -0.008 0.000 2.144 171 D HA -0.032 4.619 4.640 0.018 0.000 0.199 171 D C 1.769 178.038 176.300 -0.051 0.000 0.984 171 D CA 1.138 55.125 54.000 -0.021 0.000 0.834 171 D CB -0.362 40.434 40.800 -0.006 0.000 0.955 171 D HN 0.295 nan 8.370 nan 0.000 0.465 172 A N 0.394 123.167 122.820 -0.079 0.000 1.873 172 A HA -0.105 4.226 4.320 0.018 0.000 0.215 172 A C 2.247 179.748 177.584 -0.138 0.000 1.186 172 A CA 0.887 52.864 52.037 -0.101 0.000 0.616 172 A CB -0.780 18.150 19.000 -0.117 0.000 0.823 172 A HN 0.214 nan 8.150 nan 0.000 0.442 173 L N -0.786 120.301 121.223 -0.228 0.000 2.131 173 L HA -0.185 4.165 4.340 0.018 0.000 0.210 173 L C 3.034 179.853 176.870 -0.084 0.000 1.092 173 L CA 0.929 55.657 54.840 -0.187 0.000 0.759 173 L CB -0.553 41.364 42.059 -0.237 0.000 0.903 173 L HN 0.455 nan 8.230 nan 0.000 0.435 174 A N 0.223 123.003 122.820 -0.067 0.000 1.930 174 A HA -0.193 4.138 4.320 0.018 0.000 0.217 174 A C 2.543 180.107 177.584 -0.033 0.000 1.175 174 A CA 1.847 53.862 52.037 -0.036 0.000 0.627 174 A CB -0.556 18.428 19.000 -0.026 0.000 0.815 174 A HN 0.513 nan 8.150 nan 0.000 0.443 175 S N -0.124 115.553 115.700 -0.039 0.000 2.406 175 S HA -0.173 4.308 4.470 0.018 0.000 0.228 175 S C 1.617 176.201 174.600 -0.027 0.000 1.020 175 S CA 1.509 59.690 58.200 -0.032 0.000 0.965 175 S CB -0.489 62.693 63.200 -0.031 0.000 0.798 175 S HN 0.557 nan 8.310 nan 0.000 0.488 176 D N 2.401 122.785 120.400 -0.028 0.000 2.117 176 D HA -0.123 4.528 4.640 0.018 0.000 0.198 176 D C 2.187 178.486 176.300 -0.002 0.000 0.982 176 D CA 1.637 55.630 54.000 -0.010 0.000 0.828 176 D CB -0.314 40.482 40.800 -0.006 0.000 0.967 176 D HN 0.566 nan 8.370 nan 0.000 0.464 177 S N -0.567 115.130 115.700 -0.004 0.000 2.399 177 S HA -0.146 4.335 4.470 0.018 0.000 0.231 177 S C 1.893 176.487 174.600 -0.011 0.000 1.022 177 S CA 0.580 58.784 58.200 0.006 0.000 0.983 177 S CB -0.309 62.894 63.200 0.006 0.000 0.803 177 S HN 0.081 nan 8.310 nan 0.000 0.480 178 K N 0.729 121.116 120.400 -0.023 0.000 2.097 178 K HA 0.154 4.485 4.320 0.018 0.000 0.205 178 K C 2.140 178.710 176.600 -0.050 0.000 1.050 178 K CA 0.917 57.183 56.287 -0.035 0.000 0.938 178 K CB -0.477 32.002 32.500 -0.035 0.000 0.718 178 K HN 0.417 nan 8.250 nan 0.000 0.442 179 M N 0.490 120.061 119.600 -0.049 0.000 2.175 179 M HA -0.092 4.399 4.480 0.018 0.000 0.264 179 M C 2.079 178.305 176.300 -0.123 0.000 1.063 179 M CA 1.061 56.315 55.300 -0.077 0.000 1.119 179 M CB -0.598 31.970 32.600 -0.054 0.000 1.377 179 M HN -0.023 nan 8.290 nan 0.000 0.415 180 I N 0.342 120.872 120.570 -0.066 0.000 2.179 180 I HA -0.278 3.903 4.170 0.018 0.000 0.242 180 I C 2.167 178.247 176.117 -0.063 0.000 1.088 180 I CA 1.425 62.699 61.300 -0.043 0.000 1.357 180 I CB -1.830 36.221 38.000 0.085 0.000 1.051 180 I HN 0.341 nan 8.210 nan 0.000 0.409 181 N N 1.322 119.995 118.700 -0.046 0.000 2.069 181 N HA -0.225 4.526 4.740 0.018 0.000 0.191 181 N C 1.834 177.291 175.510 -0.087 0.000 1.031 181 N CA 1.329 54.345 53.050 -0.056 0.000 0.852 181 N CB -0.258 38.197 38.487 -0.053 0.000 1.018 181 N HN 0.206 nan 8.380 nan 0.000 0.423 182 L N 0.460 121.622 121.223 -0.103 0.000 2.012 182 L HA 0.000 4.351 4.340 0.018 0.000 0.210 182 L C 2.173 178.957 176.870 -0.143 0.000 1.073 182 L CA 2.150 56.924 54.840 -0.110 0.000 0.748 182 L CB -1.244 40.752 42.059 -0.106 0.000 0.891 182 L HN 0.250 nan 8.230 nan 0.000 0.431 183 A N -0.752 121.914 122.820 -0.257 0.000 1.883 183 A HA -0.247 4.084 4.320 0.018 0.000 0.217 183 A C 2.258 179.750 177.584 -0.152 0.000 1.186 183 A CA 2.243 54.027 52.037 -0.422 0.000 0.624 183 A CB -0.625 17.648 19.000 -1.213 0.000 0.822 183 A HN 0.514 nan 8.150 nan 0.000 0.444 184 M N -0.142 119.440 119.600 -0.030 0.000 2.149 184 M HA -0.152 4.339 4.480 0.018 0.000 0.261 184 M C 1.727 178.098 176.300 0.118 0.000 1.064 184 M CA 1.648 57.046 55.300 0.164 0.000 1.102 184 M CB -1.043 31.607 32.600 0.083 0.000 1.369 184 M HN 0.422 nan 8.290 nan 0.000 0.408 185 K N -0.686 119.704 120.400 -0.016 0.000 2.504 185 K HA -0.119 4.212 4.320 0.018 0.000 0.195 185 K C 0.768 177.388 176.600 0.034 0.000 1.036 185 K CA 0.751 57.007 56.287 -0.051 0.000 0.984 185 K CB -0.104 32.336 32.500 -0.100 0.000 0.788 185 K HN 0.221 nan 8.250 nan 0.000 0.488 186 D N -0.560 119.880 120.400 0.067 0.000 2.363 186 D HA 0.039 4.690 4.640 0.018 0.000 0.214 186 D C -0.447 175.949 176.300 0.159 0.000 1.093 186 D CA 0.029 54.077 54.000 0.079 0.000 0.837 186 D CB 0.263 41.077 40.800 0.024 0.000 0.948 186 D HN 0.037 nan 8.370 nan 0.000 0.507 187 C N 1.187 120.652 119.300 0.275 0.000 2.534 187 C HA 0.338 4.809 4.460 0.018 0.000 0.285 187 C C 1.730 176.986 174.990 0.443 0.000 1.505 187 C CA -0.961 58.270 59.018 0.355 0.000 1.715 187 C CB -1.218 26.822 27.740 0.499 0.000 2.935 187 C HN 0.310 nan 8.230 nan 0.000 0.540 188 N N 1.412 120.324 118.700 0.353 0.000 2.043 188 N HA -0.087 4.664 4.740 0.018 0.000 0.193 188 N C 1.695 177.317 175.510 0.186 0.000 1.037 188 N CA 1.321 54.587 53.050 0.361 0.000 0.851 188 N CB -0.116 38.520 38.487 0.250 0.000 1.027 188 N HN 0.553 nan 8.380 nan 0.000 0.422 189 L N 1.117 122.408 121.223 0.113 0.000 2.189 189 L HA -0.149 4.202 4.340 0.018 0.000 0.214 189 L C 2.278 179.126 176.870 -0.037 0.000 1.097 189 L CA 0.687 55.549 54.840 0.037 0.000 0.764 189 L CB -0.446 41.632 42.059 0.032 0.000 0.900 189 L HN -0.002 nan 8.230 nan 0.000 0.436 190 V N -1.077 118.789 119.914 -0.080 0.000 2.346 190 V HA -0.199 3.932 4.120 0.018 0.000 0.244 190 V C 1.771 177.534 176.094 -0.551 0.000 1.037 190 V CA 1.626 63.725 62.300 -0.334 0.000 1.029 190 V CB -0.417 31.113 31.823 -0.489 0.000 0.663 190 V HN 0.255 nan 8.190 nan 0.000 0.454 191 F N -0.279 119.490 119.950 -0.303 0.000 2.765 191 F HA 0.235 4.773 4.527 0.018 0.000 0.302 191 F C 1.110 176.680 175.800 -0.383 0.000 1.111 191 F CA -0.226 57.471 58.000 -0.505 0.000 1.359 191 F CB -0.244 38.044 39.000 -1.187 0.000 1.097 191 F HN 0.128 nan 8.300 nan 0.000 0.577 192 E N 0.446 120.581 120.200 -0.107 0.000 2.351 192 E HA 0.288 4.649 4.350 0.018 0.000 0.266 192 E C 1.153 177.727 176.600 -0.043 0.000 1.031 192 E CA 0.676 57.052 56.400 -0.039 0.000 0.911 192 E CB 0.345 30.046 29.700 0.001 0.000 0.986 192 E HN 0.450 nan 8.360 nan 0.000 0.446 193 G N 3.271 112.057 108.800 -0.023 0.000 2.195 193 G HA2 -0.274 3.697 3.960 0.018 0.000 0.246 193 G HA3 -0.274 3.697 3.960 0.018 0.000 0.246 193 G C 0.192 175.076 174.900 -0.027 0.000 0.984 193 G CA -0.346 44.743 45.100 -0.020 0.000 0.633 193 G HN 0.442 nan 8.290 nan 0.000 0.525 194 L N 0.528 121.727 121.223 -0.040 0.000 2.305 194 L HA 0.484 4.835 4.340 0.018 0.000 0.281 194 L C 1.336 178.199 176.870 -0.011 0.000 1.085 194 L CA -0.368 54.452 54.840 -0.034 0.000 0.813 194 L CB 1.130 43.165 42.059 -0.040 0.000 1.157 194 L HN 0.220 nan 8.230 nan 0.000 0.436 195 E N 0.819 121.014 120.200 -0.008 0.000 2.290 195 E HA 0.040 4.401 4.350 0.018 0.000 0.197 195 E C 0.040 176.642 176.600 0.002 0.000 0.948 195 E CA 0.177 56.577 56.400 0.001 0.000 0.895 195 E CB 0.856 30.555 29.700 -0.002 0.000 0.865 195 E HN 0.689 nan 8.360 nan 0.000 0.486 196 S N 0.105 115.802 115.700 -0.004 0.000 2.564 196 S HA 0.665 5.146 4.470 0.018 0.000 0.274 196 S C -0.845 173.752 174.600 -0.004 0.000 1.124 196 S CA -0.919 57.278 58.200 -0.005 0.000 0.869 196 S CB 2.235 65.427 63.200 -0.013 0.000 1.105 196 S HN 0.155 nan 8.310 nan 0.000 0.472 197 I N 1.450 122.021 120.570 0.002 0.000 2.827 197 I HA 0.664 4.845 4.170 0.018 0.000 0.298 197 I C -1.900 174.216 176.117 -0.002 0.000 1.235 197 I CA -1.016 60.288 61.300 0.008 0.000 1.021 197 I CB 2.114 40.152 38.000 0.064 0.000 1.259 197 I HN 0.654 nan 8.210 nan 0.000 0.427 198 V N 5.047 124.952 119.914 -0.015 0.000 2.444 198 V HA 0.315 4.446 4.120 0.018 0.000 0.294 198 V C -0.740 175.363 176.094 0.016 0.000 1.022 198 V CA -0.507 61.786 62.300 -0.011 0.000 0.850 198 V CB 1.489 33.272 31.823 -0.068 0.000 0.992 198 V HN 0.614 nan 8.190 nan 0.000 0.426 199 D N 4.340 124.773 120.400 0.055 0.000 2.422 199 D HA 0.227 4.878 4.640 0.018 0.000 0.227 199 D C -0.176 176.204 176.300 0.134 0.000 1.190 199 D CA -0.000 54.044 54.000 0.074 0.000 0.905 199 D CB 1.268 42.111 40.800 0.072 0.000 1.034 199 D HN 0.268 nan 8.370 nan 0.000 0.507 200 V N 3.633 123.618 119.914 0.118 0.000 2.470 200 V HA 0.415 4.546 4.120 0.018 0.000 0.276 200 V C 1.547 177.749 176.094 0.181 0.000 1.040 200 V CA 0.354 62.781 62.300 0.211 0.000 1.008 200 V CB 0.735 32.621 31.823 0.104 0.000 0.990 200 V HN 0.857 nan 8.190 nan 0.000 0.477 201 G N 4.292 113.217 108.800 0.208 0.000 2.182 201 G HA2 -0.186 3.785 3.960 0.018 0.000 0.248 201 G HA3 -0.186 3.785 3.960 0.018 0.000 0.248 201 G C 0.887 175.864 174.900 0.130 0.000 1.042 201 G CA 0.175 45.365 45.100 0.149 0.000 0.775 201 G HN 1.309 nan 8.290 nan 0.000 0.501 202 G N -0.378 108.503 108.800 0.136 0.000 2.653 202 G HA2 0.424 4.395 3.960 0.018 0.000 0.212 202 G HA3 0.424 4.395 3.960 0.018 0.000 0.212 202 G C 1.900 176.877 174.900 0.128 0.000 1.138 202 G CA 1.515 46.691 45.100 0.126 0.000 0.782 202 G HN 2.132 nan 8.290 nan 0.000 0.535 203 G N 1.192 110.061 108.800 0.115 0.000 2.591 203 G HA2 -0.417 3.554 3.960 0.018 0.000 0.298 203 G HA3 -0.417 3.554 3.960 0.018 0.000 0.298 203 G C 0.999 175.970 174.900 0.118 0.000 1.195 203 G CA 0.944 46.105 45.100 0.101 0.000 0.989 203 G HN 1.026 nan 8.290 nan 0.000 0.551 204 N N 1.517 120.284 118.700 0.111 0.000 2.467 204 N HA 0.408 5.158 4.740 0.018 0.000 0.184 204 N C 1.709 177.366 175.510 0.245 0.000 1.106 204 N CA 1.624 54.740 53.050 0.110 0.000 0.892 204 N CB 0.368 38.893 38.487 0.064 0.000 0.969 204 N HN 2.317 nan 8.380 nan 0.000 0.454 205 G N -1.661 107.288 108.800 0.248 0.000 2.179 205 G HA2 -0.295 3.676 3.960 0.018 0.000 0.220 205 G HA3 -0.295 3.676 3.960 0.018 0.000 0.220 205 G C 1.001 175.978 174.900 0.128 0.000 0.990 205 G CA 0.393 45.633 45.100 0.235 0.000 0.646 205 G HN 0.298 nan 8.290 nan 0.000 0.517 206 T N 1.210 115.830 114.554 0.110 0.000 2.665 206 T HA -0.153 4.208 4.350 0.018 0.000 0.268 206 T C 2.564 177.299 174.700 0.059 0.000 1.035 206 T CA 2.537 64.681 62.100 0.075 0.000 1.151 206 T CB -0.497 68.411 68.868 0.067 0.000 0.862 206 T HN 0.499 nan 8.240 nan 0.000 0.438 207 T N 1.058 115.652 114.554 0.068 0.000 2.746 207 T HA -0.032 4.329 4.350 0.018 0.000 0.267 207 T C 2.263 176.986 174.700 0.038 0.000 1.039 207 T CA 1.269 63.407 62.100 0.063 0.000 1.142 207 T CB -0.914 68.001 68.868 0.078 0.000 0.866 207 T HN 0.519 nan 8.240 nan 0.000 0.444 208 G N 1.814 110.633 108.800 0.031 0.000 2.442 208 G HA2 -0.224 3.747 3.960 0.018 0.000 0.219 208 G HA3 -0.224 3.747 3.960 0.018 0.000 0.219 208 G C 1.593 176.484 174.900 -0.016 0.000 1.141 208 G CA 0.729 45.826 45.100 -0.004 0.000 0.763 208 G HN 0.452 nan 8.290 nan 0.000 0.554 209 K N -0.054 120.346 120.400 -0.000 0.000 2.057 209 K HA 0.049 4.380 4.320 0.018 0.000 0.207 209 K C 2.416 179.005 176.600 -0.020 0.000 1.049 209 K CA 0.959 57.244 56.287 -0.004 0.000 0.931 209 K CB -0.233 32.278 32.500 0.019 0.000 0.714 209 K HN 0.333 nan 8.250 nan 0.000 0.440 210 I N 1.092 121.653 120.570 -0.015 0.000 2.226 210 I HA -0.276 3.905 4.170 0.018 0.000 0.245 210 I C 2.286 178.360 176.117 -0.071 0.000 1.100 210 I CA 1.223 62.500 61.300 -0.038 0.000 1.374 210 I CB -0.310 37.682 38.000 -0.013 0.000 1.057 210 I HN 0.118 nan 8.210 nan 0.000 0.413 211 I N 0.242 120.781 120.570 -0.052 0.000 2.142 211 I HA -0.339 3.842 4.170 0.018 0.000 0.240 211 I C 2.723 178.836 176.117 -0.006 0.000 1.078 211 I CA 1.405 62.666 61.300 -0.065 0.000 1.343 211 I CB -0.499 37.448 38.000 -0.089 0.000 1.046 211 I HN 0.349 nan 8.210 nan 0.000 0.405 212 C N 0.696 119.987 119.300 -0.015 0.000 2.413 212 C HA -0.156 4.315 4.460 0.018 0.000 0.277 212 C C 2.662 177.633 174.990 -0.032 0.000 1.265 212 C CA 0.875 59.892 59.018 -0.002 0.000 1.752 212 C CB -1.167 26.564 27.740 -0.016 0.000 1.998 212 C HN 0.498 nan 8.230 nan 0.000 0.489 213 E N 0.013 120.172 120.200 -0.069 0.000 2.106 213 E HA -0.153 4.207 4.350 0.018 0.000 0.192 213 E C 2.075 178.565 176.600 -0.184 0.000 0.984 213 E CA 1.569 57.911 56.400 -0.098 0.000 0.806 213 E CB -0.209 29.440 29.700 -0.086 0.000 0.750 213 E HN 0.614 nan 8.360 nan 0.000 0.458 214 T N 0.075 114.445 114.554 -0.306 0.000 2.985 214 T HA -0.014 4.347 4.350 0.018 0.000 0.266 214 T C 0.063 174.208 174.700 -0.926 0.000 1.076 214 T CA 0.717 62.427 62.100 -0.650 0.000 1.135 214 T CB 0.059 68.393 68.868 -0.889 0.000 0.890 214 T HN -0.009 nan 8.240 nan 0.000 0.480 215 F N 0.334 120.220 119.950 -0.108 0.000 2.769 215 F HA 0.381 4.919 4.527 0.018 0.000 0.358 215 F C -2.346 173.422 175.800 -0.054 0.000 1.285 215 F CA -2.679 55.276 58.000 -0.074 0.000 1.199 215 F CB 1.405 40.347 39.000 -0.097 0.000 1.558 215 F HN -0.117 nan 8.300 nan 0.000 0.583 216 P HA -0.193 nan 4.420 nan 0.000 0.222 216 P C 1.174 178.506 177.300 0.055 0.000 1.142 216 P CA 1.421 64.542 63.100 0.034 0.000 0.788 216 P CB 0.112 31.817 31.700 0.007 0.000 0.767 217 K N -1.524 118.930 120.400 0.090 0.000 2.296 217 K HA 0.021 4.352 4.320 0.018 0.000 0.200 217 K C 0.889 177.528 176.600 0.065 0.000 1.048 217 K CA 0.458 56.790 56.287 0.076 0.000 0.966 217 K CB -0.330 32.227 32.500 0.094 0.000 0.754 217 K HN 0.202 nan 8.250 nan 0.000 0.466 218 L N 2.690 123.964 121.223 0.086 0.000 2.379 218 L HA 0.175 4.526 4.340 0.018 0.000 0.269 218 L C -0.218 176.671 176.870 0.032 0.000 1.084 218 L CA -0.561 54.312 54.840 0.055 0.000 0.802 218 L CB 1.600 43.697 42.059 0.063 0.000 1.175 218 L HN 0.216 nan 8.230 nan 0.000 0.448 219 T N 0.131 114.695 114.554 0.016 0.000 2.807 219 T HA 0.406 4.767 4.350 0.018 0.000 0.279 219 T C -0.673 174.023 174.700 -0.006 0.000 0.993 219 T CA -0.716 61.385 62.100 0.001 0.000 0.970 219 T CB 1.276 70.142 68.868 -0.003 0.000 0.950 219 T HN 0.619 nan 8.240 nan 0.000 0.441 220 C N 3.680 122.966 119.300 -0.023 0.000 2.455 220 C HA 0.799 5.270 4.460 0.018 0.000 0.320 220 C C -0.600 174.352 174.990 -0.062 0.000 1.226 220 C CA -0.326 58.674 59.018 -0.031 0.000 1.569 220 C CB 0.547 28.269 27.740 -0.030 0.000 2.200 220 C HN 0.900 nan 8.230 nan 0.000 0.491 221 V N 6.617 126.507 119.914 -0.040 0.000 2.357 221 V HA 0.327 4.458 4.120 0.018 0.000 0.284 221 V C -0.037 176.057 176.094 -0.001 0.000 1.018 221 V CA -0.401 61.878 62.300 -0.035 0.000 0.841 221 V CB 1.468 33.296 31.823 0.009 0.000 0.991 221 V HN 0.742 nan 8.190 nan 0.000 0.437 222 V N 6.358 126.227 119.914 -0.075 0.000 2.405 222 V HA 0.266 4.397 4.120 0.018 0.000 0.264 222 V C -0.280 175.934 176.094 0.199 0.000 1.048 222 V CA -0.024 62.293 62.300 0.028 0.000 0.966 222 V CB 0.489 32.263 31.823 -0.082 0.000 1.015 222 V HN 0.695 nan 8.190 nan 0.000 0.477 223 F N 5.321 125.305 119.950 0.056 0.000 2.427 223 F HA 0.668 5.206 4.527 0.018 0.000 0.346 223 F C -0.037 175.812 175.800 0.082 0.000 1.120 223 F CA 0.075 58.114 58.000 0.066 0.000 1.033 223 F CB 0.944 39.962 39.000 0.030 0.000 1.126 223 F HN 0.534 nan 8.300 nan 0.000 0.462 224 D N 3.788 123.885 120.400 -0.506 0.000 2.779 224 D HA 0.256 4.907 4.640 0.018 0.000 0.331 224 D C -0.961 175.084 176.300 -0.424 0.000 1.331 224 D CA -0.658 53.124 54.000 -0.364 0.000 0.866 224 D CB 1.904 42.656 40.800 -0.081 0.000 1.409 224 D HN 0.503 nan 8.370 nan 0.000 0.486 225 R N 0.773 121.147 120.500 -0.210 0.000 2.698 225 R HA 0.109 4.460 4.340 0.018 0.000 0.266 225 R C -1.480 174.743 176.300 -0.128 0.000 1.026 225 R CA -0.638 55.375 56.100 -0.144 0.000 1.102 225 R CB 0.154 30.425 30.300 -0.050 0.000 0.978 225 R HN 0.203 nan 8.270 nan 0.000 0.436 226 P HA -0.254 nan 4.420 nan 0.000 0.215 226 P C 0.447 177.712 177.300 -0.059 0.000 1.163 226 P CA 1.690 64.750 63.100 -0.066 0.000 0.894 226 P CB 0.197 31.875 31.700 -0.038 0.000 0.791 227 K N -1.000 119.368 120.400 -0.053 0.000 2.439 227 K HA -0.004 4.327 4.320 0.018 0.000 0.197 227 K C 1.499 178.059 176.600 -0.065 0.000 1.041 227 K CA 1.009 57.263 56.287 -0.054 0.000 0.970 227 K CB -1.522 30.949 32.500 -0.049 0.000 0.773 227 K HN 0.063 nan 8.250 nan 0.000 0.479 228 V N 0.717 120.590 119.914 -0.069 0.000 2.446 228 V HA -0.088 4.043 4.120 0.018 0.000 0.244 228 V C 1.820 177.859 176.094 -0.093 0.000 1.039 228 V CA 1.289 63.548 62.300 -0.068 0.000 1.045 228 V CB 0.135 31.929 31.823 -0.049 0.000 0.681 228 V HN 0.368 nan 8.190 nan 0.000 0.459 229 V N -2.583 117.269 119.914 -0.104 0.000 3.483 229 V HA 0.240 4.371 4.120 0.018 0.000 0.301 229 V C 1.766 177.756 176.094 -0.174 0.000 1.389 229 V CA 0.589 62.780 62.300 -0.182 0.000 1.101 229 V CB 0.030 31.810 31.823 -0.072 0.000 0.971 229 V HN 0.530 nan 8.190 nan 0.000 0.434 230 E N 2.770 122.904 120.200 -0.111 0.000 2.086 230 E HA -0.300 4.061 4.350 0.018 0.000 0.205 230 E C 0.935 177.481 176.600 -0.091 0.000 1.027 230 E CA 2.327 58.679 56.400 -0.080 0.000 0.830 230 E CB -0.113 29.550 29.700 -0.061 0.000 0.751 230 E HN 0.866 nan 8.360 nan 0.000 0.456 231 N N -0.025 118.605 118.700 -0.117 0.000 2.610 231 N HA 0.236 4.987 4.740 0.018 0.000 0.309 231 N C -1.164 174.247 175.510 -0.165 0.000 1.536 231 N CA -0.358 52.628 53.050 -0.107 0.000 0.954 231 N CB 0.801 39.246 38.487 -0.071 0.000 1.310 231 N HN 0.004 nan 8.380 nan 0.000 0.502 232 L N 0.503 121.549 121.223 -0.295 0.000 2.334 232 L HA 0.543 4.894 4.340 0.018 0.000 0.276 232 L C -0.406 176.271 176.870 -0.321 0.000 1.014 232 L CA -0.927 53.623 54.840 -0.482 0.000 0.815 232 L CB 1.936 43.334 42.059 -1.101 0.000 1.268 232 L HN 0.203 nan 8.230 nan 0.000 0.428 233 C N 2.047 121.311 119.300 -0.059 0.000 2.456 233 C HA 0.903 5.374 4.460 0.018 0.000 0.325 233 C C 0.560 175.793 174.990 0.405 0.000 1.217 233 C CA -0.207 58.914 59.018 0.172 0.000 1.687 233 C CB 0.696 28.487 27.740 0.086 0.000 2.270 233 C HN 0.928 nan 8.230 nan 0.000 0.499 234 G N 3.491 112.508 108.800 0.360 0.000 2.597 234 G HA2 0.604 4.575 3.960 0.018 0.000 0.317 234 G HA3 0.604 4.575 3.960 0.018 0.000 0.317 234 G C -0.353 174.592 174.900 0.075 0.000 1.230 234 G CA -0.192 45.017 45.100 0.181 0.000 0.996 234 G HN 0.868 nan 8.290 nan 0.000 0.490 235 S N -0.990 114.725 115.700 0.025 0.000 2.625 235 S HA 0.044 4.525 4.470 0.018 0.000 0.262 235 S C 1.662 176.265 174.600 0.004 0.000 1.223 235 S CA -0.257 57.953 58.200 0.015 0.000 0.993 235 S CB 0.603 63.806 63.200 0.004 0.000 1.051 235 S HN 0.685 nan 8.310 nan 0.000 0.562 236 N N 1.099 119.801 118.700 0.004 0.000 2.309 236 N HA -0.015 4.736 4.740 0.018 0.000 0.182 236 N C 0.727 176.235 175.510 -0.004 0.000 1.018 236 N CA 0.959 54.011 53.050 0.003 0.000 0.876 236 N CB -0.065 38.425 38.487 0.005 0.000 0.972 236 N HN 0.354 nan 8.380 nan 0.000 0.434 237 N N -0.560 118.133 118.700 -0.012 0.000 2.205 237 N HA 0.063 4.814 4.740 0.018 0.000 0.201 237 N C -0.920 174.566 175.510 -0.040 0.000 1.128 237 N CA -0.050 52.990 53.050 -0.016 0.000 0.867 237 N CB 0.966 39.449 38.487 -0.007 0.000 0.996 237 N HN 0.177 nan 8.380 nan 0.000 0.503 238 L N 1.814 123.001 121.223 -0.060 0.000 2.362 238 L HA 0.499 4.850 4.340 0.018 0.000 0.275 238 L C -0.504 176.264 176.870 -0.170 0.000 0.998 238 L CA -0.047 54.714 54.840 -0.132 0.000 0.820 238 L CB 1.398 43.367 42.059 -0.150 0.000 1.270 238 L HN 0.017 nan 8.230 nan 0.000 0.415 239 T N 0.994 115.406 114.554 -0.237 0.000 2.883 239 T HA 0.638 4.999 4.350 0.018 0.000 0.296 239 T C -1.056 173.452 174.700 -0.319 0.000 1.117 239 T CA -0.593 61.400 62.100 -0.179 0.000 1.006 239 T CB 1.749 70.596 68.868 -0.035 0.000 1.191 239 T HN 0.354 nan 8.240 nan 0.000 0.508 240 Y N -0.394 119.934 120.300 0.047 0.000 2.429 240 Y HA 0.700 5.261 4.550 0.018 0.000 0.342 240 Y C -0.371 175.568 175.900 0.065 0.000 1.004 240 Y CA -0.979 57.152 58.100 0.052 0.000 1.075 240 Y CB 2.362 40.839 38.460 0.029 0.000 1.214 240 Y HN 0.595 nan 8.280 nan 0.000 0.455 241 V N 2.009 122.070 119.914 0.246 0.000 2.623 241 V HA 0.660 4.791 4.120 0.018 0.000 0.304 241 V C 0.004 176.153 176.094 0.092 0.000 1.054 241 V CA -0.976 61.451 62.300 0.212 0.000 0.882 241 V CB 1.882 33.892 31.823 0.313 0.000 1.002 241 V HN 0.947 nan 8.190 nan 0.000 0.424 242 G N 1.755 110.569 108.800 0.023 0.000 2.377 242 G HA2 0.789 4.760 3.960 0.018 0.000 0.299 242 G HA3 0.789 4.760 3.960 0.018 0.000 0.299 242 G C 0.088 174.912 174.900 -0.125 0.000 1.150 242 G CA 0.261 45.285 45.100 -0.127 0.000 0.847 242 G HN 1.305 nan 8.290 nan 0.000 0.501 243 G N -0.016 108.586 108.800 -0.330 0.000 2.393 243 G HA2 0.423 4.394 3.960 0.018 0.000 0.264 243 G HA3 0.423 4.394 3.960 0.018 0.000 0.264 243 G C -2.104 172.741 174.900 -0.091 0.000 1.221 243 G CA -0.330 44.724 45.100 -0.077 0.000 0.912 243 G HN 0.706 nan 8.290 nan 0.000 0.483 244 D N 0.372 120.904 120.400 0.220 0.000 2.602 244 D HA 0.300 4.951 4.640 0.018 0.000 0.245 244 D C 1.692 178.211 176.300 0.364 0.000 1.325 244 D CA -0.455 53.685 54.000 0.233 0.000 0.952 244 D CB 1.361 42.279 40.800 0.197 0.000 1.317 244 D HN 0.564 nan 8.370 nan 0.000 0.577 245 M N 1.224 121.038 119.600 0.357 0.000 2.267 245 M HA -0.075 4.416 4.480 0.018 0.000 0.263 245 M C 0.643 176.887 176.300 -0.094 0.000 1.063 245 M CA 1.383 56.771 55.300 0.146 0.000 1.090 245 M CB -0.452 32.132 32.600 -0.027 0.000 1.392 245 M HN 0.144 nan 8.290 nan 0.000 0.422 246 F N 1.006 120.951 119.950 -0.009 0.000 2.456 246 F HA -0.002 4.536 4.527 0.018 0.000 0.298 246 F C 2.114 177.908 175.800 -0.010 0.000 1.104 246 F CA 0.582 58.550 58.000 -0.054 0.000 1.435 246 F CB -0.169 38.781 39.000 -0.085 0.000 1.078 246 F HN 0.130 nan 8.300 nan 0.000 0.546 247 I N -1.949 118.739 120.570 0.197 0.000 2.499 247 I HA 0.050 4.231 4.170 0.018 0.000 0.243 247 I C 0.723 176.885 176.117 0.075 0.000 1.085 247 I CA 0.788 62.165 61.300 0.129 0.000 1.422 247 I CB -0.871 37.208 38.000 0.132 0.000 1.165 247 I HN -0.068 nan 8.210 nan 0.000 0.440 248 S N 0.000 115.748 115.700 0.080 0.000 2.543 248 S HA 0.564 5.045 4.470 0.018 0.000 0.273 248 S C -1.287 173.240 174.600 -0.122 0.000 1.152 248 S CA -0.452 57.746 58.200 -0.003 0.000 0.910 248 S CB 1.632 64.841 63.200 0.015 0.000 1.105 248 S HN -0.118 nan 8.310 nan 0.000 0.465 249 V N 6.379 126.138 119.914 -0.257 0.000 2.448 249 V HA 0.582 4.712 4.120 0.018 0.000 0.295 249 V C -1.963 173.875 176.094 -0.427 0.000 1.025 249 V CA -1.804 60.167 62.300 -0.549 0.000 0.859 249 V CB 1.702 33.286 31.823 -0.399 0.000 0.988 249 V HN 0.826 nan 8.190 nan 0.000 0.431 250 P HA 0.079 nan 4.420 nan 0.000 0.266 250 P C -0.634 176.552 177.300 -0.190 0.000 1.193 250 P CA -0.234 62.706 63.100 -0.265 0.000 0.770 250 P CB 0.593 32.163 31.700 -0.217 0.000 0.836 251 K N 1.262 121.590 120.400 -0.119 0.000 2.258 251 K HA 0.616 4.947 4.320 0.018 0.000 0.264 251 K C 0.397 176.951 176.600 -0.076 0.000 1.007 251 K CA -0.123 56.110 56.287 -0.090 0.000 0.941 251 K CB 0.596 33.057 32.500 -0.064 0.000 0.966 251 K HN 0.732 nan 8.250 nan 0.000 0.480 252 A N 1.021 123.801 122.820 -0.067 0.000 2.490 252 A HA 0.220 4.550 4.320 0.018 0.000 0.292 252 A C -0.254 177.300 177.584 -0.050 0.000 1.047 252 A CA -0.614 51.391 52.037 -0.053 0.000 0.632 252 A CB 0.414 19.381 19.000 -0.055 0.000 1.323 252 A HN 0.549 nan 8.150 nan 0.000 0.448 253 D N 0.118 120.492 120.400 -0.043 0.000 2.219 253 D HA 0.285 4.936 4.640 0.018 0.000 0.205 253 D C 0.837 177.099 176.300 -0.063 0.000 0.970 253 D CA 2.246 56.219 54.000 -0.045 0.000 0.851 253 D CB 0.140 40.917 40.800 -0.038 0.000 0.943 253 D HN 1.019 nan 8.370 nan 0.000 0.488 254 A N -0.338 122.440 122.820 -0.069 0.000 2.594 254 A HA 0.555 4.886 4.320 0.018 0.000 0.295 254 A C -1.192 176.342 177.584 -0.085 0.000 1.071 254 A CA -0.572 51.406 52.037 -0.098 0.000 0.685 254 A CB 1.871 20.792 19.000 -0.133 0.000 1.285 254 A HN -0.106 nan 8.150 nan 0.000 0.405 255 V N 1.749 121.599 119.914 -0.106 0.000 2.555 255 V HA 0.610 4.741 4.120 0.018 0.000 0.302 255 V C -0.848 175.182 176.094 -0.107 0.000 1.038 255 V CA -0.514 61.730 62.300 -0.094 0.000 0.887 255 V CB 1.490 33.255 31.823 -0.097 0.000 0.991 255 V HN 0.871 nan 8.190 nan 0.000 0.434 256 L N 6.294 127.479 121.223 -0.063 0.000 2.346 256 L HA 0.688 5.039 4.340 0.018 0.000 0.276 256 L C -1.012 175.828 176.870 -0.049 0.000 1.006 256 L CA -0.057 54.745 54.840 -0.064 0.000 0.817 256 L CB 1.540 43.603 42.059 0.005 0.000 1.272 256 L HN 0.576 nan 8.230 nan 0.000 0.421 257 L N 5.623 126.795 121.223 -0.085 0.000 2.454 257 L HA 0.479 4.830 4.340 0.018 0.000 0.258 257 L C -0.556 176.268 176.870 -0.076 0.000 1.025 257 L CA -0.398 54.412 54.840 -0.051 0.000 0.901 257 L CB 1.138 43.164 42.059 -0.054 0.000 1.210 257 L HN 0.587 nan 8.230 nan 0.000 0.457 258 K N 3.105 123.478 120.400 -0.046 0.000 2.265 258 K HA 0.627 4.957 4.320 0.018 0.000 0.267 258 K C 0.679 177.241 176.600 -0.063 0.000 0.994 258 K CA -0.002 56.240 56.287 -0.074 0.000 0.860 258 K CB 1.397 33.873 32.500 -0.039 0.000 1.099 258 K HN 0.601 nan 8.250 nan 0.000 0.448 259 A N 2.929 125.648 122.820 -0.169 0.000 2.745 259 A HA -0.144 4.187 4.320 0.018 0.000 0.296 259 A C 0.206 177.653 177.584 -0.230 0.000 1.500 259 A CA 1.117 52.914 52.037 -0.399 0.000 0.766 259 A CB -1.941 16.978 19.000 -0.135 0.000 1.030 259 A HN 0.505 nan 8.150 nan 0.000 0.489 260 V N -0.939 118.945 119.914 -0.050 0.000 2.950 260 V HA 0.037 4.168 4.120 0.018 0.000 0.231 260 V C 2.231 178.592 176.094 0.444 0.000 1.205 260 V CA 1.073 63.515 62.300 0.237 0.000 1.239 260 V CB -0.399 31.550 31.823 0.211 0.000 1.050 260 V HN 0.587 nan 8.190 nan 0.000 0.498 261 L N 1.458 122.894 121.223 0.354 0.000 2.187 261 L HA -0.211 4.140 4.340 0.018 0.000 0.213 261 L C 2.486 179.644 176.870 0.480 0.000 1.100 261 L CA 2.193 57.312 54.840 0.466 0.000 0.765 261 L CB -0.917 41.422 42.059 0.467 0.000 0.904 261 L HN 0.711 nan 8.230 nan 0.000 0.437 262 H N -0.986 118.258 119.070 0.291 0.000 2.545 262 H HA -0.099 4.468 4.556 0.018 0.000 0.282 262 H C 0.872 176.252 175.328 0.087 0.000 1.020 262 H CA 0.853 56.999 56.048 0.164 0.000 1.243 262 H CB -0.280 29.584 29.762 0.171 0.000 1.377 262 H HN 0.520 nan 8.280 nan 0.000 0.581 263 D N -1.118 119.472 120.400 0.317 0.000 2.368 263 D HA 0.093 4.744 4.640 0.018 0.000 0.218 263 D C -0.688 175.418 176.300 -0.323 0.000 1.112 263 D CA -0.436 53.498 54.000 -0.109 0.000 0.834 263 D CB -0.198 40.474 40.800 -0.214 0.000 0.953 263 D HN 0.415 nan 8.370 nan 0.000 0.505 264 W N 0.947 122.329 121.300 0.137 0.000 2.761 264 W HA 0.442 5.114 4.660 0.019 0.000 0.340 264 W C 0.498 177.059 176.519 0.070 0.000 1.072 264 W CA -1.151 56.271 57.345 0.128 0.000 1.215 264 W CB 1.206 30.776 29.460 0.183 0.000 1.420 264 W HN -0.208 nan 8.180 nan 0.000 0.519 265 T N -1.872 112.866 114.554 0.307 0.000 2.748 265 T HA 0.019 4.379 4.350 0.018 0.000 0.304 265 T C 0.778 175.565 174.700 0.145 0.000 1.041 265 T CA 0.017 62.212 62.100 0.158 0.000 1.033 265 T CB 0.793 69.737 68.868 0.126 0.000 0.995 265 T HN 0.412 nan 8.240 nan 0.000 0.536 266 D N 0.167 120.599 120.400 0.054 0.000 2.116 266 D HA -0.135 4.516 4.640 0.018 0.000 0.193 266 D C 1.925 178.266 176.300 0.067 0.000 0.998 266 D CA 1.574 55.587 54.000 0.021 0.000 0.836 266 D CB -0.293 40.493 40.800 -0.023 0.000 0.951 266 D HN 0.772 nan 8.370 nan 0.000 0.449 267 K N 0.453 120.902 120.400 0.082 0.000 2.044 267 K HA -0.180 4.151 4.320 0.018 0.000 0.210 267 K C 1.328 178.011 176.600 0.139 0.000 1.049 267 K CA 1.616 57.960 56.287 0.094 0.000 0.927 267 K CB 0.095 32.645 32.500 0.084 0.000 0.713 267 K HN 0.003 nan 8.250 nan 0.000 0.443 268 D N 0.305 120.830 120.400 0.208 0.000 2.149 268 D HA -0.109 4.542 4.640 0.018 0.000 0.201 268 D C 2.051 178.434 176.300 0.137 0.000 0.972 268 D CA 0.871 55.049 54.000 0.296 0.000 0.835 268 D CB -0.429 40.670 40.800 0.499 0.000 0.966 268 D HN 0.306 nan 8.370 nan 0.000 0.476 269 C N 1.064 120.443 119.300 0.131 0.000 2.429 269 C HA -0.110 4.361 4.460 0.018 0.000 0.277 269 C C 2.715 177.738 174.990 0.055 0.000 1.262 269 C CA -0.022 59.038 59.018 0.068 0.000 1.733 269 C CB -0.727 27.084 27.740 0.118 0.000 2.010 269 C HN 0.332 nan 8.230 nan 0.000 0.483 270 I N 1.358 121.978 120.570 0.083 0.000 2.208 270 I HA -0.200 3.981 4.170 0.018 0.000 0.245 270 I C 2.430 178.590 176.117 0.072 0.000 1.097 270 I CA 1.714 63.072 61.300 0.096 0.000 1.363 270 I CB -1.337 36.715 38.000 0.086 0.000 1.051 270 I HN 0.474 nan 8.210 nan 0.000 0.413 271 K N 0.644 121.081 120.400 0.062 0.000 2.032 271 K HA -0.148 4.183 4.320 0.018 0.000 0.209 271 K C 2.143 178.694 176.600 -0.082 0.000 1.048 271 K CA 1.415 57.732 56.287 0.050 0.000 0.927 271 K CB -0.215 32.405 32.500 0.199 0.000 0.712 271 K HN 0.280 nan 8.250 nan 0.000 0.441 272 I N 1.238 121.654 120.570 -0.256 0.000 2.179 272 I HA -0.297 3.884 4.170 0.018 0.000 0.242 272 I C 2.295 178.337 176.117 -0.126 0.000 1.088 272 I CA 1.248 62.323 61.300 -0.375 0.000 1.357 272 I CB -0.380 37.303 38.000 -0.528 0.000 1.051 272 I HN 0.119 nan 8.210 nan 0.000 0.409 273 L N 0.542 121.767 121.223 0.004 0.000 2.079 273 L HA -0.223 4.128 4.340 0.018 0.000 0.210 273 L C 2.604 179.606 176.870 0.220 0.000 1.081 273 L CA 1.513 56.456 54.840 0.172 0.000 0.752 273 L CB -0.523 41.711 42.059 0.292 0.000 0.896 273 L HN 0.221 nan 8.230 nan 0.000 0.433 274 K N -0.338 120.122 120.400 0.100 0.000 2.025 274 K HA -0.135 4.196 4.320 0.018 0.000 0.207 274 K C 2.164 178.749 176.600 -0.026 0.000 1.049 274 K CA 0.899 57.197 56.287 0.018 0.000 0.933 274 K CB -0.032 32.473 32.500 0.008 0.000 0.714 274 K HN 0.101 nan 8.250 nan 0.000 0.438 275 K N 0.665 121.042 120.400 -0.038 0.000 2.097 275 K HA -0.106 4.225 4.320 0.018 0.000 0.206 275 K C 2.162 178.718 176.600 -0.073 0.000 1.049 275 K CA 1.067 57.315 56.287 -0.066 0.000 0.933 275 K CB -0.539 31.905 32.500 -0.094 0.000 0.717 275 K HN 0.216 nan 8.250 nan 0.000 0.442 276 C N 0.969 120.245 119.300 -0.040 0.000 2.450 276 C HA -0.003 4.468 4.460 0.018 0.000 0.279 276 C C 2.726 177.730 174.990 0.023 0.000 1.335 276 C CA 0.244 59.249 59.018 -0.022 0.000 1.749 276 C CB -0.422 27.321 27.740 0.005 0.000 1.963 276 C HN 0.510 nan 8.230 nan 0.000 0.501 277 K N 1.663 122.083 120.400 0.034 0.000 1.985 277 K HA -0.210 4.121 4.320 0.018 0.000 0.210 277 K C 2.058 178.582 176.600 -0.127 0.000 1.047 277 K CA 2.052 58.262 56.287 -0.129 0.000 0.932 277 K CB -0.271 31.947 32.500 -0.470 0.000 0.716 277 K HN 0.699 nan 8.250 nan 0.000 0.439 278 E N 0.067 120.199 120.200 -0.115 0.000 2.204 278 E HA -0.175 4.186 4.350 0.018 0.000 0.195 278 E C 1.815 178.365 176.600 -0.083 0.000 0.990 278 E CA 0.960 57.303 56.400 -0.096 0.000 0.821 278 E CB -0.261 29.391 29.700 -0.080 0.000 0.750 278 E HN 0.375 nan 8.360 nan 0.000 0.477 279 A N 1.937 124.706 122.820 -0.086 0.000 1.933 279 A HA -0.107 4.223 4.320 0.018 0.000 0.218 279 A C 2.385 179.922 177.584 -0.077 0.000 1.175 279 A CA 1.642 53.622 52.037 -0.095 0.000 0.628 279 A CB -0.502 18.425 19.000 -0.122 0.000 0.814 279 A HN 0.341 nan 8.150 nan 0.000 0.444 280 V N -3.043 116.833 119.914 -0.063 0.000 3.376 280 V HA 0.269 4.400 4.120 0.018 0.000 0.313 280 V C 0.787 176.852 176.094 -0.047 0.000 1.393 280 V CA 1.019 63.288 62.300 -0.051 0.000 1.125 280 V CB -0.660 31.139 31.823 -0.039 0.000 1.037 280 V HN 0.595 nan 8.190 nan 0.000 0.440 281 T N -3.495 111.023 114.554 -0.059 0.000 3.393 281 T HA 0.416 4.777 4.350 0.018 0.000 0.298 281 T C 0.328 174.996 174.700 -0.053 0.000 1.004 281 T CA 0.053 62.118 62.100 -0.057 0.000 0.956 281 T CB 0.051 68.871 68.868 -0.080 0.000 1.182 281 T HN 0.299 nan 8.240 nan 0.000 0.497 282 S N 1.966 117.637 115.700 -0.049 0.000 2.690 282 S HA 0.513 4.994 4.470 0.018 0.000 0.291 282 S C -0.249 174.331 174.600 -0.034 0.000 1.138 282 S CA -0.572 57.602 58.200 -0.043 0.000 1.013 282 S CB 0.699 63.872 63.200 -0.045 0.000 1.053 282 S HN 0.562 nan 8.310 nan 0.000 0.539 283 D N 0.485 120.867 120.400 -0.029 0.000 2.772 283 D HA -0.167 4.484 4.640 0.018 0.000 0.233 283 D C 0.911 177.198 176.300 -0.023 0.000 1.143 283 D CA 1.104 55.090 54.000 -0.024 0.000 0.700 283 D CB -1.720 39.066 40.800 -0.023 0.000 1.076 283 D HN 1.133 nan 8.370 nan 0.000 0.430 284 G N -0.497 108.289 108.800 -0.024 0.000 2.205 284 G HA2 -0.414 3.557 3.960 0.018 0.000 0.269 284 G HA3 -0.414 3.557 3.960 0.018 0.000 0.269 284 G C 0.456 175.343 174.900 -0.022 0.000 0.977 284 G CA 1.262 46.349 45.100 -0.022 0.000 0.652 284 G HN 0.537 nan 8.290 nan 0.000 0.539 285 K N -0.277 120.109 120.400 -0.024 0.000 2.107 285 K HA 0.608 4.939 4.320 0.018 0.000 0.251 285 K C 0.380 176.966 176.600 -0.022 0.000 1.012 285 K CA -0.541 55.733 56.287 -0.022 0.000 0.920 285 K CB 0.587 33.073 32.500 -0.023 0.000 1.033 285 K HN 0.011 nan 8.250 nan 0.000 0.478 286 R N 1.268 121.759 120.500 -0.014 0.000 2.545 286 R HA 0.238 4.589 4.340 0.018 0.000 0.289 286 R C -0.261 176.044 176.300 0.007 0.000 1.327 286 R CA -0.299 55.798 56.100 -0.005 0.000 1.040 286 R CB 1.513 31.815 30.300 0.003 0.000 1.176 286 R HN 0.932 nan 8.270 nan 0.000 0.518 287 G N 1.551 110.348 108.800 -0.005 0.000 2.695 287 G HA2 0.478 4.449 3.960 0.018 0.000 0.213 287 G HA3 0.478 4.449 3.960 0.018 0.000 0.213 287 G C -0.570 174.323 174.900 -0.013 0.000 1.406 287 G CA -0.316 44.775 45.100 -0.015 0.000 1.049 287 G HN 0.383 nan 8.290 nan 0.000 0.573 288 K N -2.129 118.219 120.400 -0.086 0.000 2.536 288 K HA 0.656 4.987 4.320 0.018 0.000 0.269 288 K C -1.852 174.616 176.600 -0.219 0.000 0.965 288 K CA -0.854 55.316 56.287 -0.195 0.000 0.860 288 K CB 2.154 34.410 32.500 -0.407 0.000 1.423 288 K HN 0.254 nan 8.250 nan 0.000 0.438 289 V N 2.355 122.091 119.914 -0.296 0.000 2.483 289 V HA 0.445 4.576 4.120 0.018 0.000 0.295 289 V C -0.367 175.463 176.094 -0.441 0.000 1.035 289 V CA -0.767 61.346 62.300 -0.312 0.000 0.896 289 V CB 1.275 32.899 31.823 -0.331 0.000 0.986 289 V HN 0.618 nan 8.190 nan 0.000 0.447 290 I N 4.629 124.986 120.570 -0.356 0.000 2.362 290 I HA 0.481 4.662 4.170 0.018 0.000 0.289 290 I C -0.691 175.223 176.117 -0.339 0.000 0.994 290 I CA -0.706 60.366 61.300 -0.381 0.000 1.158 290 I CB 1.946 39.738 38.000 -0.346 0.000 1.315 290 I HN 0.252 nan 8.210 nan 0.000 0.451 291 V N 7.601 127.273 119.914 -0.402 0.000 2.417 291 V HA 0.457 4.588 4.120 0.018 0.000 0.291 291 V C -0.047 175.804 176.094 -0.405 0.000 1.024 291 V CA -0.436 61.638 62.300 -0.377 0.000 0.861 291 V CB 2.076 33.620 31.823 -0.466 0.000 0.985 291 V HN 0.488 nan 8.190 nan 0.000 0.436 292 I N 4.777 125.137 120.570 -0.351 0.000 2.390 292 I HA 0.576 4.757 4.170 0.018 0.000 0.283 292 I C -0.691 175.268 176.117 -0.264 0.000 1.016 292 I CA 0.081 61.132 61.300 -0.416 0.000 1.151 292 I CB 1.284 38.950 38.000 -0.556 0.000 1.293 292 I HN 0.582 nan 8.210 nan 0.000 0.458 293 D N 4.467 124.742 120.400 -0.209 0.000 2.713 293 D HA 0.329 4.980 4.640 0.018 0.000 0.306 293 D C -0.970 175.366 176.300 0.061 0.000 1.299 293 D CA -0.609 53.371 54.000 -0.033 0.000 0.823 293 D CB 2.056 42.907 40.800 0.086 0.000 1.353 293 D HN 0.286 nan 8.370 nan 0.000 0.447 294 M N 1.159 120.887 119.600 0.212 0.000 2.233 294 M HA 0.392 4.883 4.480 0.018 0.000 0.350 294 M C -1.185 175.318 176.300 0.338 0.000 1.176 294 M CA -0.090 55.347 55.300 0.229 0.000 1.150 294 M CB 0.703 33.441 32.600 0.230 0.000 1.530 294 M HN 0.060 nan 8.290 nan 0.000 0.459 295 V N 7.114 127.172 119.914 0.240 0.000 2.380 295 V HA 0.376 4.507 4.120 0.018 0.000 0.286 295 V C -0.159 176.060 176.094 0.208 0.000 1.015 295 V CA -0.600 61.873 62.300 0.289 0.000 0.834 295 V CB 1.200 33.101 31.823 0.130 0.000 1.009 295 V HN 0.775 nan 8.190 nan 0.000 0.428 296 I N 4.663 125.356 120.570 0.204 0.000 2.474 296 I HA 0.392 4.573 4.170 0.018 0.000 0.287 296 I C 0.314 176.501 176.117 0.117 0.000 1.048 296 I CA 0.114 61.492 61.300 0.130 0.000 1.383 296 I CB 0.857 38.914 38.000 0.095 0.000 1.412 296 I HN 0.545 nan 8.210 nan 0.000 0.531 297 N N 5.212 123.969 118.700 0.094 0.000 2.747 297 N HA 0.085 4.836 4.740 0.018 0.000 0.262 297 N C 0.116 175.665 175.510 0.066 0.000 1.261 297 N CA -0.253 52.847 53.050 0.084 0.000 0.809 297 N CB 1.016 39.560 38.487 0.095 0.000 1.450 297 N HN 0.576 nan 8.380 nan 0.000 0.560 298 E N 1.092 121.325 120.200 0.055 0.000 2.268 298 E HA -0.067 4.294 4.350 0.018 0.000 0.195 298 E C 0.775 177.401 176.600 0.043 0.000 0.995 298 E CA 0.844 57.271 56.400 0.046 0.000 0.836 298 E CB 0.489 30.212 29.700 0.039 0.000 0.763 298 E HN 0.488 nan 8.360 nan 0.000 0.491 299 K N 0.797 121.225 120.400 0.046 0.000 2.228 299 K HA -0.080 4.251 4.320 0.018 0.000 0.202 299 K C 2.082 178.708 176.600 0.044 0.000 1.051 299 K CA 0.975 57.287 56.287 0.043 0.000 0.960 299 K CB 0.148 32.675 32.500 0.044 0.000 0.743 299 K HN 0.035 nan 8.250 nan 0.000 0.458 300 K N -0.395 120.036 120.400 0.051 0.000 2.399 300 K HA 0.103 4.434 4.320 0.018 0.000 0.196 300 K C -0.275 176.353 176.600 0.046 0.000 1.103 300 K CA -0.090 56.226 56.287 0.049 0.000 0.986 300 K CB 0.484 33.019 32.500 0.058 0.000 0.952 300 K HN -0.191 nan 8.250 nan 0.000 0.541 301 D N 2.632 123.061 120.400 0.049 0.000 2.313 301 D HA 0.054 4.705 4.640 0.018 0.000 0.247 301 D C -0.679 175.643 176.300 0.036 0.000 1.094 301 D CA -0.223 53.804 54.000 0.046 0.000 0.925 301 D CB 1.282 42.114 40.800 0.053 0.000 1.188 301 D HN 0.203 nan 8.370 nan 0.000 0.430 302 E N 0.848 121.066 120.200 0.031 0.000 2.418 302 E HA -0.076 4.285 4.350 0.018 0.000 0.261 302 E C 0.945 177.560 176.600 0.025 0.000 1.070 302 E CA -0.374 56.040 56.400 0.023 0.000 0.931 302 E CB 0.571 30.281 29.700 0.016 0.000 0.954 302 E HN 0.248 nan 8.360 nan 0.000 0.439 303 N N 2.297 121.009 118.700 0.021 0.000 2.061 303 N HA -0.201 4.550 4.740 0.018 0.000 0.193 303 N C 1.432 176.957 175.510 0.024 0.000 1.030 303 N CA 1.293 54.357 53.050 0.024 0.000 0.856 303 N CB -0.062 38.437 38.487 0.021 0.000 1.023 303 N HN 0.508 nan 8.380 nan 0.000 0.424 304 Q N 0.500 120.310 119.800 0.017 0.000 2.167 304 Q HA -0.056 4.295 4.340 0.018 0.000 0.202 304 Q C 2.172 178.185 176.000 0.021 0.000 0.970 304 Q CA 0.507 56.319 55.803 0.015 0.000 0.855 304 Q CB -0.548 28.190 28.738 -0.001 0.000 0.911 304 Q HN 0.298 nan 8.270 nan 0.000 0.438 305 L N 0.642 121.880 121.223 0.024 0.000 2.027 305 L HA -0.097 4.254 4.340 0.018 0.000 0.206 305 L C 2.045 178.941 176.870 0.043 0.000 1.074 305 L CA 1.921 56.781 54.840 0.034 0.000 0.745 305 L CB -1.027 41.054 42.059 0.037 0.000 0.898 305 L HN 0.096 nan 8.230 nan 0.000 0.433 306 T N -0.899 113.680 114.554 0.043 0.000 2.759 306 T HA -0.249 4.112 4.350 0.018 0.000 0.269 306 T C 1.705 176.432 174.700 0.045 0.000 1.042 306 T CA 1.564 63.693 62.100 0.047 0.000 1.140 306 T CB -0.127 68.767 68.868 0.043 0.000 0.864 306 T HN 0.401 nan 8.240 nan 0.000 0.455 307 Q N 0.864 120.687 119.800 0.039 0.000 2.002 307 Q HA -0.115 4.236 4.340 0.018 0.000 0.204 307 Q C 2.116 178.141 176.000 0.040 0.000 0.988 307 Q CA 1.639 57.465 55.803 0.038 0.000 0.843 307 Q CB -0.716 28.043 28.738 0.035 0.000 0.908 307 Q HN 0.463 nan 8.270 nan 0.000 0.420 308 I N 0.265 120.860 120.570 0.041 0.000 2.315 308 I HA -0.194 3.987 4.170 0.018 0.000 0.248 308 I C 1.629 177.777 176.117 0.053 0.000 1.117 308 I CA 1.560 62.886 61.300 0.044 0.000 1.404 308 I CB -0.218 37.808 38.000 0.043 0.000 1.071 308 I HN 0.179 nan 8.210 nan 0.000 0.419 309 K N -0.445 119.992 120.400 0.060 0.000 2.057 309 K HA -0.133 4.197 4.320 0.018 0.000 0.207 309 K C 1.936 178.576 176.600 0.068 0.000 1.049 309 K CA 1.150 57.481 56.287 0.074 0.000 0.931 309 K CB -0.296 32.253 32.500 0.082 0.000 0.714 309 K HN 0.215 nan 8.250 nan 0.000 0.440 310 L N 1.206 122.463 121.223 0.056 0.000 2.141 310 L HA -0.085 4.265 4.340 0.018 0.000 0.209 310 L C 2.017 178.916 176.870 0.048 0.000 1.094 310 L CA 1.239 56.109 54.840 0.050 0.000 0.763 310 L CB -0.592 41.493 42.059 0.044 0.000 0.908 310 L HN 0.202 nan 8.230 nan 0.000 0.437 311 L N -1.618 119.631 121.223 0.044 0.000 2.044 311 L HA -0.182 4.169 4.340 0.018 0.000 0.205 311 L C 2.356 179.250 176.870 0.039 0.000 1.075 311 L CA 0.962 55.822 54.840 0.032 0.000 0.747 311 L CB -0.057 42.015 42.059 0.020 0.000 0.903 311 L HN 0.193 nan 8.230 nan 0.000 0.435 312 M N -0.236 119.395 119.600 0.051 0.000 2.279 312 M HA -0.202 4.289 4.480 0.018 0.000 0.264 312 M C 1.913 178.261 176.300 0.079 0.000 1.062 312 M CA 1.310 56.651 55.300 0.068 0.000 1.099 312 M CB -1.819 30.832 32.600 0.085 0.000 1.394 312 M HN 0.349 nan 8.290 nan 0.000 0.426 313 N N 0.652 119.397 118.700 0.075 0.000 2.149 313 N HA -0.111 4.640 4.740 0.018 0.000 0.188 313 N C 1.514 177.069 175.510 0.075 0.000 1.019 313 N CA 1.257 54.350 53.050 0.072 0.000 0.857 313 N CB -0.017 38.506 38.487 0.060 0.000 0.997 313 N HN 0.146 nan 8.380 nan 0.000 0.426 314 V N 0.097 120.058 119.914 0.078 0.000 2.323 314 V HA -0.170 3.961 4.120 0.018 0.000 0.244 314 V C 2.461 178.624 176.094 0.114 0.000 1.041 314 V CA 2.086 64.448 62.300 0.104 0.000 1.025 314 V CB -1.091 30.790 31.823 0.096 0.000 0.656 314 V HN 0.653 nan 8.190 nan 0.000 0.451 315 T N -1.087 113.526 114.554 0.098 0.000 2.788 315 T HA -0.146 4.215 4.350 0.018 0.000 0.268 315 T C 1.818 176.581 174.700 0.105 0.000 1.044 315 T CA 1.388 63.568 62.100 0.134 0.000 1.139 315 T CB -0.357 68.565 68.868 0.089 0.000 0.867 315 T HN 0.246 nan 8.240 nan 0.000 0.454 316 I N 2.985 123.606 120.570 0.085 0.000 2.439 316 I HA -0.065 4.115 4.170 0.018 0.000 0.251 316 I C 2.947 179.083 176.117 0.032 0.000 1.139 316 I CA 1.478 62.811 61.300 0.054 0.000 1.438 316 I CB -1.569 36.457 38.000 0.043 0.000 1.085 316 I HN 0.526 nan 8.210 nan 0.000 0.427 317 S N 0.065 115.807 115.700 0.070 0.000 2.447 317 S HA -0.138 4.343 4.470 0.018 0.000 0.233 317 S C 2.099 176.811 174.600 0.187 0.000 1.006 317 S CA 0.786 59.060 58.200 0.123 0.000 0.957 317 S CB -0.938 62.367 63.200 0.175 0.000 0.773 317 S HN 0.451 nan 8.310 nan 0.000 0.507 318 C N 1.651 120.944 119.300 -0.011 0.000 2.437 318 C HA 0.151 4.622 4.460 0.018 0.000 0.283 318 C C 2.051 176.900 174.990 -0.235 0.000 1.424 318 C CA 0.511 59.276 59.018 -0.422 0.000 1.782 318 C CB -1.290 25.974 27.740 -0.793 0.000 1.833 318 C HN 0.715 nan 8.230 nan 0.000 0.532 319 V N -2.450 117.441 119.914 -0.038 0.000 3.176 319 V HA 0.403 4.534 4.120 0.018 0.000 0.332 319 V C 0.304 176.417 176.094 0.031 0.000 1.414 319 V CA 0.120 62.440 62.300 0.034 0.000 1.133 319 V CB -1.693 30.188 31.823 0.097 0.000 1.088 319 V HN 0.607 nan 8.190 nan 0.000 0.473 320 N N -0.147 118.586 118.700 0.055 0.000 2.850 320 N HA -0.132 4.619 4.740 0.018 0.000 0.249 320 N C 0.790 176.267 175.510 -0.054 0.000 1.060 320 N CA 0.431 53.495 53.050 0.023 0.000 0.825 320 N CB -1.010 37.479 38.487 0.004 0.000 1.132 320 N HN 0.861 nan 8.380 nan 0.000 0.564 321 G N 0.456 109.208 108.800 -0.081 0.000 2.448 321 G HA2 0.536 4.507 3.960 0.018 0.000 0.285 321 G HA3 0.536 4.507 3.960 0.018 0.000 0.285 321 G C -0.382 174.470 174.900 -0.081 0.000 1.176 321 G CA -0.317 44.673 45.100 -0.184 0.000 0.852 321 G HN 0.117 nan 8.290 nan 0.000 0.530 322 K N 2.037 122.401 120.400 -0.060 0.000 2.572 322 K HA 0.241 4.572 4.320 0.018 0.000 0.244 322 K C -0.785 175.817 176.600 0.004 0.000 0.965 322 K CA -0.672 55.602 56.287 -0.022 0.000 0.943 322 K CB 1.906 34.386 32.500 -0.034 0.000 1.154 322 K HN 0.353 nan 8.250 nan 0.000 0.447 323 E N 2.428 122.643 120.200 0.024 0.000 2.349 323 E HA 0.295 4.655 4.350 0.018 0.000 0.265 323 E C -0.162 176.397 176.600 -0.070 0.000 1.064 323 E CA -0.240 56.195 56.400 0.057 0.000 0.886 323 E CB 1.214 30.980 29.700 0.111 0.000 1.036 323 E HN 0.374 nan 8.360 nan 0.000 0.413 324 R N 1.273 121.684 120.500 -0.148 0.000 2.803 324 R HA 0.340 4.691 4.340 0.018 0.000 0.276 324 R C 0.303 176.517 176.300 -0.144 0.000 0.978 324 R CA -0.758 55.120 56.100 -0.371 0.000 0.939 324 R CB 1.562 31.203 30.300 -1.099 0.000 1.179 324 R HN 0.620 nan 8.270 nan 0.000 0.472 325 N N 0.477 119.107 118.700 -0.117 0.000 2.434 325 N HA 0.014 4.765 4.740 0.018 0.000 0.266 325 N C 0.287 175.859 175.510 0.103 0.000 1.223 325 N CA -0.563 52.510 53.050 0.038 0.000 0.972 325 N CB 1.404 39.901 38.487 0.017 0.000 1.207 325 N HN 0.677 nan 8.380 nan 0.000 0.525 326 E N 0.271 120.584 120.200 0.187 0.000 2.097 326 E HA -0.301 4.060 4.350 0.018 0.000 0.196 326 E C 1.304 177.960 176.600 0.094 0.000 1.000 326 E CA 1.553 58.077 56.400 0.207 0.000 0.804 326 E CB 0.027 29.839 29.700 0.187 0.000 0.740 326 E HN 0.681 nan 8.360 nan 0.000 0.454 327 E N 0.625 120.857 120.200 0.053 0.000 2.085 327 E HA -0.221 4.140 4.350 0.018 0.000 0.194 327 E C 1.743 178.306 176.600 -0.063 0.000 0.994 327 E CA 1.781 58.190 56.400 0.016 0.000 0.801 327 E CB 0.030 29.738 29.700 0.013 0.000 0.743 327 E HN 0.365 nan 8.360 nan 0.000 0.453 328 E N -1.133 118.989 120.200 -0.129 0.000 2.072 328 E HA -0.181 4.180 4.350 0.018 0.000 0.191 328 E C 2.034 178.420 176.600 -0.355 0.000 0.985 328 E CA 1.072 57.324 56.400 -0.246 0.000 0.801 328 E CB -0.329 29.170 29.700 -0.336 0.000 0.750 328 E HN 0.417 nan 8.360 nan 0.000 0.452 329 W N 1.715 122.763 121.300 -0.418 0.000 2.355 329 W HA -0.180 4.490 4.660 0.018 0.000 0.309 329 W C 2.566 178.309 176.519 -1.293 0.000 1.206 329 W CA 1.022 57.848 57.345 -0.864 0.000 1.284 329 W CB -0.053 28.983 29.460 -0.708 0.000 1.145 329 W HN -0.000 nan 8.180 nan 0.000 0.502 330 K N 1.063 121.172 120.400 -0.483 0.000 2.074 330 K HA -0.244 4.087 4.320 0.018 0.000 0.209 330 K C 1.813 178.333 176.600 -0.133 0.000 1.048 330 K CA 1.860 57.997 56.287 -0.251 0.000 0.926 330 K CB -0.221 32.318 32.500 0.065 0.000 0.713 330 K HN 0.043 nan 8.250 nan 0.000 0.444 331 K N 0.372 120.690 120.400 -0.137 0.000 2.147 331 K HA -0.093 4.238 4.320 0.018 0.000 0.205 331 K C 2.106 178.668 176.600 -0.063 0.000 1.049 331 K CA 1.266 57.516 56.287 -0.062 0.000 0.936 331 K CB -0.067 32.395 32.500 -0.064 0.000 0.722 331 K HN 0.193 nan 8.250 nan 0.000 0.446 332 L N -0.167 120.944 121.223 -0.188 0.000 2.109 332 L HA -0.126 4.225 4.340 0.018 0.000 0.207 332 L C 2.121 179.058 176.870 0.112 0.000 1.086 332 L CA 0.896 55.684 54.840 -0.087 0.000 0.760 332 L CB -0.416 41.549 42.059 -0.158 0.000 0.910 332 L HN 0.061 nan 8.230 nan 0.000 0.437 333 F N -0.171 119.834 119.950 0.092 0.000 2.146 333 F HA -0.183 4.355 4.527 0.018 0.000 0.298 333 F C 2.451 178.392 175.800 0.235 0.000 1.096 333 F CA 0.522 58.594 58.000 0.120 0.000 1.275 333 F CB -0.864 38.139 39.000 0.005 0.000 1.008 333 F HN -0.067 nan 8.300 nan 0.000 0.480 334 I N 0.519 121.287 120.570 0.330 0.000 2.113 334 I HA -0.247 3.934 4.170 0.018 0.000 0.238 334 I C 2.180 178.411 176.117 0.189 0.000 1.070 334 I CA 1.457 62.901 61.300 0.241 0.000 1.332 334 I CB -1.491 36.607 38.000 0.163 0.000 1.044 334 I HN 0.233 nan 8.210 nan 0.000 0.402 335 E N 0.770 121.058 120.200 0.147 0.000 2.265 335 E HA -0.145 4.216 4.350 0.018 0.000 0.196 335 E C 2.071 178.751 176.600 0.133 0.000 0.996 335 E CA 1.113 57.580 56.400 0.111 0.000 0.832 335 E CB -0.110 29.637 29.700 0.078 0.000 0.756 335 E HN 0.491 nan 8.360 nan 0.000 0.491 336 A N 0.178 123.130 122.820 0.220 0.000 2.169 336 A HA 0.213 4.544 4.320 0.018 0.000 0.212 336 A C 1.789 179.449 177.584 0.126 0.000 1.153 336 A CA 0.896 53.080 52.037 0.245 0.000 0.756 336 A CB -0.105 19.175 19.000 0.467 0.000 0.813 336 A HN 0.337 nan 8.150 nan 0.000 0.471 337 G N -2.359 106.514 108.800 0.122 0.000 2.159 337 G HA2 -0.208 3.763 3.960 0.018 0.000 0.227 337 G HA3 -0.208 3.763 3.960 0.018 0.000 0.227 337 G C -0.022 174.817 174.900 -0.103 0.000 0.986 337 G CA -0.026 45.058 45.100 -0.027 0.000 0.651 337 G HN 0.291 nan 8.290 nan 0.000 0.523 338 F N 0.410 120.410 119.950 0.083 0.000 2.380 338 F HA 0.495 5.033 4.527 0.018 0.000 0.325 338 F C 1.738 177.600 175.800 0.104 0.000 1.136 338 F CA 0.273 58.318 58.000 0.074 0.000 1.171 338 F CB 1.249 40.280 39.000 0.052 0.000 1.230 338 F HN 0.175 nan 8.300 nan 0.000 0.554 339 Q N -0.278 119.690 119.800 0.280 0.000 2.373 339 Q HA 0.206 4.556 4.340 0.018 0.000 0.210 339 Q C -0.594 175.530 176.000 0.206 0.000 0.913 339 Q CA 0.600 56.518 55.803 0.192 0.000 0.911 339 Q CB 0.652 29.459 28.738 0.114 0.000 1.040 339 Q HN 0.654 nan 8.270 nan 0.000 0.521 340 D N -1.446 119.113 120.400 0.265 0.000 2.671 340 D HA 0.359 5.010 4.640 0.018 0.000 0.273 340 D C -1.804 174.694 176.300 0.329 0.000 1.264 340 D CA -0.727 53.406 54.000 0.222 0.000 0.788 340 D CB 1.169 42.010 40.800 0.068 0.000 1.324 340 D HN 0.157 nan 8.370 nan 0.000 0.424 341 Y N -0.762 119.633 120.300 0.159 0.000 2.625 341 Y HA 0.687 5.248 4.550 0.018 0.000 0.338 341 Y C -1.699 174.264 175.900 0.105 0.000 1.123 341 Y CA -1.066 57.071 58.100 0.063 0.000 1.046 341 Y CB 1.477 39.870 38.460 -0.110 0.000 1.299 341 Y HN 0.350 nan 8.280 nan 0.000 0.464 342 K N 2.716 123.236 120.400 0.201 0.000 2.513 342 K HA 0.624 4.955 4.320 0.018 0.000 0.251 342 K C -2.090 174.588 176.600 0.131 0.000 0.939 342 K CA -0.607 55.742 56.287 0.104 0.000 0.793 342 K CB 1.789 34.359 32.500 0.116 0.000 1.241 342 K HN 0.886 nan 8.250 nan 0.000 0.431 343 I N 2.606 123.257 120.570 0.136 0.000 2.377 343 I HA 0.290 4.471 4.170 0.018 0.000 0.293 343 I C -0.404 175.741 176.117 0.047 0.000 0.987 343 I CA -0.575 60.775 61.300 0.084 0.000 1.185 343 I CB 2.070 40.147 38.000 0.129 0.000 1.341 343 I HN 0.535 nan 8.210 nan 0.000 0.455 344 S N 6.260 121.974 115.700 0.023 0.000 2.599 344 S HA 0.546 5.027 4.470 0.018 0.000 0.294 344 S C -2.616 172.033 174.600 0.082 0.000 1.094 344 S CA -1.267 56.961 58.200 0.048 0.000 0.931 344 S CB 2.142 65.368 63.200 0.043 0.000 1.093 344 S HN 0.301 nan 8.310 nan 0.000 0.488 345 P HA 0.186 nan 4.420 nan 0.000 0.268 345 P C -0.323 177.111 177.300 0.224 0.000 1.204 345 P CA 0.177 63.354 63.100 0.128 0.000 0.768 345 P CB 0.335 32.085 31.700 0.082 0.000 0.842 346 F N 2.057 122.022 119.950 0.024 0.000 2.495 346 F HA 0.155 4.693 4.527 0.018 0.000 0.271 346 F C 1.006 176.827 175.800 0.035 0.000 0.889 346 F CA 1.036 59.055 58.000 0.032 0.000 1.129 346 F CB -0.166 38.848 39.000 0.024 0.000 1.169 346 F HN 0.301 nan 8.300 nan 0.000 0.781 347 T N -2.639 111.904 114.554 -0.017 0.000 2.742 347 T HA 0.484 4.845 4.350 0.018 0.000 0.282 347 T C 1.107 175.826 174.700 0.031 0.000 1.025 347 T CA -0.191 61.849 62.100 -0.100 0.000 1.020 347 T CB 0.824 69.654 68.868 -0.063 0.000 1.317 347 T HN 0.235 nan 8.240 nan 0.000 0.538 348 G N -0.277 108.533 108.800 0.017 0.000 2.422 348 G HA2 0.034 4.005 3.960 0.018 0.000 0.218 348 G HA3 0.034 4.005 3.960 0.018 0.000 0.218 348 G C 1.141 176.080 174.900 0.066 0.000 1.146 348 G CA 0.835 45.955 45.100 0.034 0.000 0.769 348 G HN 0.642 nan 8.290 nan 0.000 0.547 349 L N -1.130 120.149 121.223 0.093 0.000 2.717 349 L HA 0.438 4.789 4.340 0.018 0.000 0.239 349 L C 1.018 177.973 176.870 0.143 0.000 1.086 349 L CA -0.132 54.774 54.840 0.110 0.000 0.897 349 L CB 0.208 42.331 42.059 0.107 0.000 1.214 349 L HN 0.086 nan 8.230 nan 0.000 0.508 350 M N -0.287 119.425 119.600 0.188 0.000 2.423 350 M HA 0.371 4.861 4.480 0.018 0.000 0.335 350 M C -0.401 176.035 176.300 0.227 0.000 1.177 350 M CA -0.046 55.378 55.300 0.206 0.000 1.038 350 M CB 2.147 34.906 32.600 0.265 0.000 1.641 350 M HN -0.069 nan 8.290 nan 0.000 0.455 351 S N 1.775 117.527 115.700 0.086 0.000 2.689 351 S HA 0.722 5.203 4.470 0.018 0.000 0.306 351 S C -1.139 173.372 174.600 -0.148 0.000 1.104 351 S CA -0.900 57.327 58.200 0.045 0.000 0.973 351 S CB 1.968 65.170 63.200 0.004 0.000 1.121 351 S HN 0.684 nan 8.310 nan 0.000 0.523 352 L N 2.177 123.316 121.223 -0.140 0.000 2.325 352 L HA 0.641 4.991 4.340 0.018 0.000 0.281 352 L C -1.742 174.990 176.870 -0.230 0.000 1.004 352 L CA -0.600 54.072 54.840 -0.281 0.000 0.823 352 L CB 0.438 42.364 42.059 -0.222 0.000 1.236 352 L HN 0.600 nan 8.230 nan 0.000 0.415 353 I N 4.285 124.659 120.570 -0.327 0.000 2.378 353 I HA 0.354 4.535 4.170 0.018 0.000 0.291 353 I C -0.378 175.499 176.117 -0.400 0.000 0.992 353 I CA -0.509 60.600 61.300 -0.319 0.000 1.154 353 I CB 1.749 39.491 38.000 -0.430 0.000 1.315 353 I HN 0.579 nan 8.210 nan 0.000 0.448 354 E N 6.405 126.397 120.200 -0.347 0.000 2.156 354 E HA 0.475 4.836 4.350 0.018 0.000 0.279 354 E C -0.936 175.254 176.600 -0.684 0.000 0.965 354 E CA -0.653 55.428 56.400 -0.533 0.000 0.789 354 E CB 1.811 31.245 29.700 -0.443 0.000 1.098 354 E HN 0.336 nan 8.360 nan 0.000 0.397 355 I N 3.403 123.453 120.570 -0.867 0.000 2.378 355 I HA 0.270 4.451 4.170 0.018 0.000 0.291 355 I C -0.693 175.023 176.117 -0.668 0.000 0.992 355 I CA -0.863 59.929 61.300 -0.846 0.000 1.154 355 I CB 0.321 37.525 38.000 -1.327 0.000 1.315 355 I HN 0.475 nan 8.210 nan 0.000 0.448 356 Y N 6.704 126.994 120.300 -0.017 0.000 2.328 356 Y HA 0.425 4.986 4.550 0.018 0.000 0.337 356 Y C -1.964 174.110 175.900 0.290 0.000 0.966 356 Y CA -2.385 55.781 58.100 0.110 0.000 1.136 356 Y CB 1.110 39.583 38.460 0.022 0.000 1.170 356 Y HN 0.412 nan 8.280 nan 0.000 0.470 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.123 63.100 0.038 0.000 0.800 357 P CB 0.000 31.622 31.700 -0.130 0.000 0.726