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 1ev1_1_2 DATA FIRST_RESID 8 DATA SEQUENCE GYSDRVRSIT LGNSTITTQE CANVVVGYGE WPEYLSDNEA TAEDQPTQPD DATA SEQUENCE VATCRFYTLD SVQWENGSPG WWWKFPDALR DMGLFGQNMY YHYLGRAGYT DATA SEQUENCE IHVQCNASKF HQGCILVVCV PEAEMGSAQT SGVVNYEHIS KGEIASRFTT DATA SEQUENCE TTTAEDHGVQ AAVWNAGMGV GVGNLTIFPH QWINLRTNNS ATIVMPYVNS DATA SEQUENCE VPMDNMYRHH NFTLMIIPFV PLDFSAGAST YVPITVTVAP MCAEYNGLRL DATA SEQUENCE AGHQ 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 8 G C 0.000 174.834 174.900 -0.111 0.000 0.946 8 G CA 0.000 44.969 45.100 -0.218 0.000 0.502 9 Y N 0.329 120.627 120.300 -0.004 0.000 3.027 9 Y HA -0.088 4.462 4.550 -0.000 0.000 0.213 9 Y C 1.525 177.424 175.900 -0.003 0.000 1.196 9 Y CA 0.239 58.336 58.100 -0.004 0.000 0.780 9 Y CB -1.626 36.831 38.460 -0.006 0.000 1.183 9 Y HN 0.718 nan 8.280 nan 0.000 0.395 10 S N 1.292 117.069 115.700 0.129 0.000 2.546 10 S HA 0.059 4.529 4.470 -0.000 0.000 0.290 10 S C 1.159 175.805 174.600 0.076 0.000 1.262 10 S CA -0.237 58.012 58.200 0.081 0.000 1.083 10 S CB 0.328 63.559 63.200 0.052 0.000 0.859 10 S HN 0.549 nan 8.310 nan 0.000 0.495 11 D N 4.446 124.880 120.400 0.056 0.000 2.392 11 D HA -0.069 4.571 4.640 -0.000 0.000 0.228 11 D C 1.482 177.800 176.300 0.030 0.000 1.003 11 D CA 0.471 54.493 54.000 0.036 0.000 0.917 11 D CB 0.132 40.948 40.800 0.026 0.000 0.890 11 D HN 0.416 nan 8.370 nan 0.000 0.532 12 R N 0.278 120.799 120.500 0.035 0.000 2.193 12 R HA 0.136 4.476 4.340 -0.000 0.000 0.213 12 R C 0.221 176.541 176.300 0.033 0.000 1.055 12 R CA 0.136 56.256 56.100 0.032 0.000 0.995 12 R CB -0.242 30.077 30.300 0.030 0.000 0.893 12 R HN 0.222 nan 8.270 nan 0.000 0.459 13 V N 2.160 122.097 119.914 0.037 0.000 2.465 13 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 13 V C 0.184 176.291 176.094 0.023 0.000 1.045 13 V CA -0.584 61.737 62.300 0.035 0.000 0.938 13 V CB 1.589 33.442 31.823 0.050 0.000 0.986 13 V HN 0.104 nan 8.190 nan 0.000 0.467 14 R N 2.531 123.037 120.500 0.009 0.000 2.668 14 R HA 0.629 4.969 4.340 -0.000 0.000 0.272 14 R C -1.252 175.028 176.300 -0.032 0.000 1.019 14 R CA -0.308 55.785 56.100 -0.011 0.000 0.894 14 R CB 2.061 32.355 30.300 -0.010 0.000 1.228 14 R HN 0.683 nan 8.270 nan 0.000 0.460 15 S N 4.458 120.136 115.700 -0.036 0.000 2.707 15 S HA 0.543 5.013 4.470 -0.000 0.000 0.303 15 S C -0.972 173.608 174.600 -0.033 0.000 1.132 15 S CA -0.629 57.545 58.200 -0.043 0.000 1.046 15 S CB 0.611 63.800 63.200 -0.020 0.000 1.004 15 S HN 0.483 nan 8.310 nan 0.000 0.483 16 I N 4.326 124.868 120.570 -0.046 0.000 2.389 16 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 16 I C -0.325 175.873 176.117 0.134 0.000 0.999 16 I CA -0.440 60.889 61.300 0.047 0.000 1.129 16 I CB 2.194 40.241 38.000 0.078 0.000 1.288 16 I HN 0.449 nan 8.210 nan 0.000 0.444 17 T N 7.189 121.823 114.554 0.134 0.000 2.812 17 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 17 T C -0.835 173.925 174.700 0.100 0.000 0.990 17 T CA -0.469 61.710 62.100 0.132 0.000 0.960 17 T CB 1.708 70.613 68.868 0.062 0.000 0.948 17 T HN 0.185 nan 8.240 nan 0.000 0.438 18 L N 3.040 124.313 121.223 0.084 0.000 2.580 18 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 18 L C 0.545 177.378 176.870 -0.062 0.000 0.955 18 L CA 0.828 55.633 54.840 -0.059 0.000 0.886 18 L CB 0.779 42.667 42.059 -0.285 0.000 1.263 18 L HN 0.947 nan 8.230 nan 0.000 0.406 19 G N 4.196 112.973 108.800 -0.039 0.000 2.550 19 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.277 19 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.277 19 G C 0.282 175.183 174.900 0.001 0.000 1.190 19 G CA 0.376 45.462 45.100 -0.025 0.000 0.971 19 G HN 1.147 nan 8.290 nan 0.000 0.559 20 N N 1.088 119.789 118.700 0.001 0.000 2.466 20 N HA 0.343 5.083 4.740 -0.000 0.000 0.251 20 N C -0.233 175.295 175.510 0.031 0.000 1.164 20 N CA 0.709 53.769 53.050 0.017 0.000 0.888 20 N CB 0.432 38.928 38.487 0.015 0.000 1.177 20 N HN 0.541 nan 8.380 nan 0.000 0.498 21 S N -0.371 115.367 115.700 0.063 0.000 2.614 21 S HA 0.462 4.932 4.470 -0.000 0.000 0.288 21 S C -0.684 174.013 174.600 0.161 0.000 1.137 21 S CA -0.602 57.677 58.200 0.131 0.000 0.992 21 S CB 1.937 65.306 63.200 0.280 0.000 1.026 21 S HN 0.211 nan 8.310 nan 0.000 0.486 22 T N 3.146 117.735 114.554 0.058 0.000 2.841 22 T HA 0.585 4.935 4.350 -0.000 0.000 0.285 22 T C -0.301 174.314 174.700 -0.143 0.000 0.991 22 T CA -0.532 61.568 62.100 -0.000 0.000 0.966 22 T CB 0.574 69.438 68.868 -0.007 0.000 0.962 22 T HN 0.588 nan 8.240 nan 0.000 0.438 23 I N 0.981 121.375 120.570 -0.293 0.000 2.412 23 I HA 0.773 4.943 4.170 -0.000 0.000 0.296 23 I C 0.308 176.282 176.117 -0.237 0.000 0.987 23 I CA -0.566 60.508 61.300 -0.377 0.000 1.180 23 I CB 1.528 39.081 38.000 -0.746 0.000 1.340 23 I HN 0.593 nan 8.210 nan 0.000 0.455 24 T N 1.658 116.126 114.554 -0.145 0.000 2.925 24 T HA 0.777 5.127 4.350 -0.000 0.000 0.285 24 T C -0.126 174.548 174.700 -0.043 0.000 1.021 24 T CA -0.620 61.431 62.100 -0.082 0.000 1.042 24 T CB 1.652 70.495 68.868 -0.042 0.000 1.037 24 T HN 0.938 nan 8.240 nan 0.000 0.481 25 T N 0.734 115.278 114.554 -0.017 0.000 2.956 25 T HA 0.371 4.721 4.350 -0.000 0.000 0.312 25 T C -0.499 174.214 174.700 0.022 0.000 1.151 25 T CA -0.602 61.514 62.100 0.027 0.000 1.024 25 T CB 1.917 70.833 68.868 0.081 0.000 1.140 25 T HN 0.714 nan 8.240 nan 0.000 0.473 26 Q N 1.950 121.764 119.800 0.025 0.000 2.179 26 Q HA 0.303 4.643 4.340 -0.000 0.000 0.213 26 Q C -0.324 175.692 176.000 0.027 0.000 0.833 26 Q CA 0.037 55.855 55.803 0.024 0.000 0.990 26 Q CB 0.882 29.631 28.738 0.018 0.000 1.132 26 Q HN 0.644 nan 8.270 nan 0.000 0.493 27 E N 1.017 121.236 120.200 0.033 0.000 3.554 27 E HA 0.102 4.452 4.350 -0.000 0.000 0.286 27 E C -0.955 175.671 176.600 0.044 0.000 1.173 27 E CA -0.275 56.146 56.400 0.035 0.000 1.117 27 E CB 0.567 30.285 29.700 0.031 0.000 1.323 27 E HN 0.325 nan 8.360 nan 0.000 0.394 28 C N -1.080 118.248 119.300 0.047 0.000 2.325 28 C HA 0.929 5.389 4.460 -0.000 0.000 0.370 28 C C 0.826 175.844 174.990 0.046 0.000 1.217 28 C CA -0.608 58.444 59.018 0.055 0.000 2.254 28 C CB 0.916 28.694 27.740 0.063 0.000 2.282 28 C HN 0.521 nan 8.230 nan 0.000 0.564 29 A N 3.072 125.921 122.820 0.048 0.000 3.064 29 A HA 0.583 4.903 4.320 -0.000 0.000 0.339 29 A C 0.206 177.810 177.584 0.033 0.000 1.078 29 A CA -0.087 51.975 52.037 0.041 0.000 0.869 29 A CB -0.848 18.183 19.000 0.051 0.000 1.067 29 A HN 1.294 nan 8.150 nan 0.000 0.480 30 N N -0.697 118.020 118.700 0.028 0.000 6.750 30 N HA -0.225 4.515 4.740 -0.000 0.000 0.412 30 N C -0.640 174.888 175.510 0.029 0.000 0.937 30 N CA 1.377 54.441 53.050 0.023 0.000 1.334 30 N CB -0.497 37.999 38.487 0.015 0.000 0.815 30 N HN 1.406 nan 8.380 nan 0.000 0.330 31 V N 0.455 120.388 119.914 0.031 0.000 2.686 31 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 31 V C -0.580 175.525 176.094 0.018 0.000 1.065 31 V CA -0.688 61.633 62.300 0.035 0.000 0.894 31 V CB 1.766 33.632 31.823 0.071 0.000 1.004 31 V HN 0.480 nan 8.190 nan 0.000 0.424 32 V N 7.463 127.361 119.914 -0.028 0.000 2.405 32 V HA 0.261 4.381 4.120 -0.000 0.000 0.264 32 V C 0.260 176.307 176.094 -0.078 0.000 1.048 32 V CA -0.165 62.095 62.300 -0.066 0.000 0.966 32 V CB 1.295 33.040 31.823 -0.131 0.000 1.015 32 V HN 0.709 nan 8.190 nan 0.000 0.477 33 V N 5.159 125.052 119.914 -0.035 0.000 2.372 33 V HA 0.331 4.451 4.120 -0.000 0.000 0.261 33 V C 1.252 177.283 176.094 -0.106 0.000 1.055 33 V CA -0.402 61.865 62.300 -0.055 0.000 0.930 33 V CB 0.855 32.748 31.823 0.116 0.000 1.031 33 V HN 0.972 nan 8.190 nan 0.000 0.479 34 G N 4.342 113.024 108.800 -0.198 0.000 2.101 34 G HA2 0.013 3.973 3.960 -0.000 0.000 0.262 34 G HA3 0.013 3.973 3.960 -0.000 0.000 0.262 34 G C 0.086 174.906 174.900 -0.133 0.000 1.041 34 G CA 0.280 45.210 45.100 -0.282 0.000 1.002 34 G HN 0.888 nan 8.290 nan 0.000 0.403 35 Y N -0.094 120.192 120.300 -0.023 0.000 4.079 35 Y HA -0.287 4.263 4.550 -0.000 0.000 0.223 35 Y C 2.090 177.992 175.900 0.004 0.000 1.155 35 Y CA 1.489 59.586 58.100 -0.006 0.000 1.805 35 Y CB -1.545 36.909 38.460 -0.010 0.000 1.571 35 Y HN 1.811 nan 8.280 nan 0.000 0.654 36 G N -0.828 108.032 108.800 0.099 0.000 2.184 36 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 36 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 36 G C 0.058 175.023 174.900 0.108 0.000 0.975 36 G CA 0.357 45.513 45.100 0.092 0.000 0.642 36 G HN 0.516 nan 8.290 nan 0.000 0.536 37 E N -0.164 120.098 120.200 0.104 0.000 2.113 37 E HA 0.286 4.636 4.350 -0.000 0.000 0.273 37 E C -0.164 176.490 176.600 0.090 0.000 0.924 37 E CA -0.965 55.499 56.400 0.106 0.000 0.764 37 E CB 1.062 30.813 29.700 0.085 0.000 1.104 37 E HN 0.288 nan 8.360 nan 0.000 0.406 38 W N 5.617 126.901 121.300 -0.028 0.000 2.216 38 W HA 0.143 4.803 4.660 -0.000 0.000 0.326 38 W C -2.201 174.279 176.519 -0.065 0.000 1.319 38 W CA -1.924 55.391 57.345 -0.051 0.000 1.213 38 W CB 0.701 30.131 29.460 -0.050 0.000 1.171 38 W HN 0.363 nan 8.180 nan 0.000 0.557 39 P HA -0.029 nan 4.420 nan 0.000 0.265 39 P C -1.010 176.239 177.300 -0.085 0.000 1.193 39 P CA 0.822 63.780 63.100 -0.237 0.000 0.765 39 P CB 0.652 32.112 31.700 -0.400 0.000 0.823 40 E N 0.971 121.103 120.200 -0.114 0.000 2.430 40 E HA 0.344 4.694 4.350 -0.000 0.000 0.279 40 E C -1.080 175.417 176.600 -0.171 0.000 1.003 40 E CA -0.997 55.337 56.400 -0.109 0.000 0.801 40 E CB 0.552 30.270 29.700 0.031 0.000 1.313 40 E HN 0.152 nan 8.360 nan 0.000 0.459 41 Y N 0.512 120.781 120.300 -0.051 0.000 2.480 41 Y HA 0.121 4.671 4.550 -0.000 0.000 0.338 41 Y C 0.651 176.500 175.900 -0.084 0.000 1.220 41 Y CA -0.372 57.676 58.100 -0.085 0.000 1.430 41 Y CB 0.415 38.832 38.460 -0.072 0.000 1.311 41 Y HN 0.422 nan 8.280 nan 0.000 0.575 42 L N 3.833 125.098 121.223 0.070 0.000 2.615 42 L HA 0.052 4.392 4.340 -0.000 0.000 0.271 42 L C 0.326 177.207 176.870 0.017 0.000 1.183 42 L CA 0.172 55.010 54.840 -0.002 0.000 0.933 42 L CB -0.449 41.572 42.059 -0.062 0.000 1.199 42 L HN 0.684 nan 8.230 nan 0.000 0.487 43 S N 2.192 117.901 115.700 0.015 0.000 2.584 43 S HA 0.193 4.663 4.470 -0.000 0.000 0.273 43 S C 0.827 175.429 174.600 0.002 0.000 1.311 43 S CA -0.597 57.610 58.200 0.012 0.000 1.034 43 S CB 0.858 64.068 63.200 0.017 0.000 0.939 43 S HN 0.680 nan 8.310 nan 0.000 0.513 44 D N 1.726 122.125 120.400 -0.002 0.000 2.280 44 D HA -0.152 4.488 4.640 -0.000 0.000 0.206 44 D C 1.358 177.659 176.300 0.001 0.000 0.988 44 D CA 1.266 55.264 54.000 -0.003 0.000 0.886 44 D CB -0.288 40.509 40.800 -0.005 0.000 0.914 44 D HN 0.657 nan 8.370 nan 0.000 0.473 45 N N 0.594 119.297 118.700 0.005 0.000 2.251 45 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 45 N C 1.369 176.884 175.510 0.010 0.000 1.019 45 N CA 0.508 53.562 53.050 0.008 0.000 0.862 45 N CB -0.127 38.366 38.487 0.010 0.000 0.992 45 N HN 0.347 nan 8.380 nan 0.000 0.429 46 E N 0.950 121.156 120.200 0.010 0.000 2.442 46 E HA 0.184 4.534 4.350 -0.000 0.000 0.195 46 E C 0.421 177.026 176.600 0.008 0.000 1.030 46 E CA -0.283 56.125 56.400 0.013 0.000 0.869 46 E CB 0.326 30.036 29.700 0.017 0.000 0.857 46 E HN 0.266 nan 8.360 nan 0.000 0.505 47 A N 0.613 123.433 122.820 0.001 0.000 2.406 47 A HA 0.188 4.508 4.320 -0.000 0.000 0.243 47 A C 0.837 178.424 177.584 0.005 0.000 1.082 47 A CA 0.202 52.236 52.037 -0.004 0.000 0.786 47 A CB 0.605 19.601 19.000 -0.008 0.000 1.029 47 A HN 0.074 nan 8.150 nan 0.000 0.495 48 T N 0.164 114.721 114.554 0.006 0.000 3.340 48 T HA 0.309 4.659 4.350 -0.000 0.000 0.272 48 T C 0.891 175.605 174.700 0.024 0.000 0.965 48 T CA 0.532 62.642 62.100 0.018 0.000 1.040 48 T CB -0.312 68.570 68.868 0.025 0.000 1.183 48 T HN 1.146 nan 8.240 nan 0.000 0.478 49 A N 2.334 125.168 122.820 0.022 0.000 2.476 49 A HA 0.216 4.536 4.320 -0.000 0.000 0.275 49 A C 0.938 178.540 177.584 0.031 0.000 1.133 49 A CA 0.032 52.092 52.037 0.038 0.000 0.797 49 A CB -0.185 18.837 19.000 0.036 0.000 1.081 49 A HN 0.503 nan 8.150 nan 0.000 0.510 50 E N 1.764 121.985 120.200 0.035 0.000 2.401 50 E HA -0.123 4.227 4.350 -0.000 0.000 0.199 50 E C 0.304 176.919 176.600 0.026 0.000 1.023 50 E CA 0.694 57.110 56.400 0.026 0.000 0.859 50 E CB 0.025 29.741 29.700 0.026 0.000 0.780 50 E HN 0.932 nan 8.360 nan 0.000 0.523 51 D N 0.991 121.413 120.400 0.038 0.000 2.339 51 D HA -0.046 4.594 4.640 -0.000 0.000 0.245 51 D C 0.061 176.377 176.300 0.027 0.000 1.115 51 D CA -0.365 53.659 54.000 0.039 0.000 0.917 51 D CB 0.889 41.726 40.800 0.062 0.000 1.192 51 D HN -0.223 nan 8.370 nan 0.000 0.428 52 Q N 1.086 120.899 119.800 0.022 0.000 2.274 52 Q HA 0.168 4.508 4.340 -0.000 0.000 0.280 52 Q C -2.202 173.806 176.000 0.013 0.000 1.047 52 Q CA -0.822 54.985 55.803 0.008 0.000 0.907 52 Q CB 0.562 29.302 28.738 0.005 0.000 1.171 52 Q HN 0.261 nan 8.270 nan 0.000 0.381 53 P HA 0.060 nan 4.420 nan 0.000 0.275 53 P C -0.954 176.342 177.300 -0.007 0.000 1.227 53 P CA -0.345 62.745 63.100 -0.016 0.000 0.781 53 P CB 1.088 32.758 31.700 -0.051 0.000 0.906 54 T N 2.218 116.784 114.554 0.020 0.000 2.806 54 T HA 0.226 4.576 4.350 -0.000 0.000 0.290 54 T C -0.417 174.330 174.700 0.078 0.000 0.966 54 T CA -0.347 61.783 62.100 0.049 0.000 1.060 54 T CB -0.168 68.754 68.868 0.091 0.000 0.927 54 T HN 0.277 nan 8.240 nan 0.000 0.485 55 Q N 5.644 125.473 119.800 0.049 0.000 2.523 55 Q HA 0.272 4.612 4.340 -0.000 0.000 0.251 55 Q C -1.750 174.319 176.000 0.116 0.000 1.033 55 Q CA -1.927 53.926 55.803 0.082 0.000 0.746 55 Q CB 1.573 30.273 28.738 -0.064 0.000 1.189 55 Q HN 0.537 nan 8.270 nan 0.000 0.508 56 P HA -0.125 nan 4.420 nan 0.000 0.239 56 P C 0.190 177.570 177.300 0.134 0.000 1.184 56 P CA 0.601 63.788 63.100 0.145 0.000 0.760 56 P CB 0.321 32.123 31.700 0.171 0.000 0.884 57 D N 0.107 120.597 120.400 0.150 0.000 3.945 57 D HA -0.291 4.349 4.640 -0.000 0.000 0.166 57 D C 1.449 177.808 176.300 0.099 0.000 0.775 57 D CA 2.951 57.028 54.000 0.129 0.000 0.954 57 D CB -1.019 39.840 40.800 0.097 0.000 0.433 57 D HN -0.014 nan 8.370 nan 0.000 0.385 58 V N -1.977 117.977 119.914 0.067 0.000 2.546 58 V HA -0.106 4.014 4.120 -0.000 0.000 0.254 58 V C 2.349 178.477 176.094 0.057 0.000 1.076 58 V CA 3.201 65.527 62.300 0.043 0.000 1.087 58 V CB -1.580 30.262 31.823 0.032 0.000 0.674 58 V HN 0.653 nan 8.190 nan 0.000 0.470 59 A N -0.233 122.642 122.820 0.091 0.000 2.014 59 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 59 A C 2.286 179.991 177.584 0.202 0.000 1.163 59 A CA 2.237 54.348 52.037 0.122 0.000 0.652 59 A CB -0.663 18.407 19.000 0.116 0.000 0.808 59 A HN 0.575 nan 8.150 nan 0.000 0.449 60 T N -1.754 112.942 114.554 0.236 0.000 3.087 60 T HA 0.023 4.373 4.350 -0.000 0.000 0.237 60 T C 0.711 175.605 174.700 0.322 0.000 0.990 60 T CA 0.684 63.023 62.100 0.398 0.000 1.160 60 T CB -0.155 68.980 68.868 0.445 0.000 0.923 60 T HN 0.348 nan 8.240 nan 0.000 0.442 61 C N 5.235 124.629 119.300 0.156 0.000 2.896 61 C HA 0.504 4.964 4.460 -0.000 0.000 0.499 61 C C 0.882 175.787 174.990 -0.142 0.000 1.022 61 C CA -0.882 58.138 59.018 0.004 0.000 1.127 61 C CB -2.459 25.275 27.740 -0.010 0.000 1.452 61 C HN 0.490 nan 8.230 nan 0.000 0.580 62 R N -0.741 119.594 120.500 -0.276 0.000 2.795 62 R HA 0.603 4.943 4.340 -0.000 0.000 0.268 62 R C -1.370 174.569 176.300 -0.602 0.000 1.041 62 R CA -0.873 54.980 56.100 -0.413 0.000 0.927 62 R CB 0.598 30.701 30.300 -0.328 0.000 1.235 62 R HN 0.044 nan 8.270 nan 0.000 0.463 63 F N 2.017 121.766 119.950 -0.335 0.000 2.439 63 F HA 0.277 4.804 4.527 -0.000 0.000 0.356 63 F C -0.554 175.092 175.800 -0.257 0.000 1.161 63 F CA -0.136 57.712 58.000 -0.253 0.000 1.151 63 F CB 0.184 39.107 39.000 -0.128 0.000 1.222 63 F HN 0.291 nan 8.300 nan 0.000 0.558 64 Y N 1.522 121.924 120.300 0.168 0.000 2.504 64 Y HA 0.192 4.742 4.550 -0.000 0.000 0.351 64 Y C 0.881 176.832 175.900 0.084 0.000 0.988 64 Y CA -0.911 57.250 58.100 0.102 0.000 1.239 64 Y CB 0.015 38.503 38.460 0.046 0.000 1.128 64 Y HN 0.333 nan 8.280 nan 0.000 0.525 65 T N 5.988 120.663 114.554 0.202 0.000 2.743 65 T HA 0.272 4.622 4.350 -0.000 0.000 0.290 65 T C 0.502 175.246 174.700 0.073 0.000 0.908 65 T CA -0.353 61.805 62.100 0.097 0.000 1.092 65 T CB -0.379 68.523 68.868 0.057 0.000 0.882 65 T HN 0.374 nan 8.240 nan 0.000 0.531 66 L N 2.271 123.505 121.223 0.019 0.000 2.466 66 L HA 0.259 4.599 4.340 -0.000 0.000 0.257 66 L C 1.060 177.945 176.870 0.025 0.000 1.189 66 L CA -0.875 53.969 54.840 0.007 0.000 0.813 66 L CB 0.309 42.323 42.059 -0.075 0.000 1.118 66 L HN 0.479 nan 8.230 nan 0.000 0.471 67 D N 1.574 122.019 120.400 0.075 0.000 2.455 67 D HA -0.004 4.636 4.640 -0.000 0.000 0.265 67 D C 0.081 176.444 176.300 0.105 0.000 1.284 67 D CA 0.180 54.231 54.000 0.084 0.000 0.944 67 D CB 0.497 41.349 40.800 0.086 0.000 1.121 67 D HN 0.546 nan 8.370 nan 0.000 0.525 68 S N 1.243 116.971 115.700 0.047 0.000 2.562 68 S HA 0.190 4.660 4.470 -0.000 0.000 0.281 68 S C 0.179 174.786 174.600 0.012 0.000 1.333 68 S CA -0.921 57.288 58.200 0.015 0.000 1.052 68 S CB 2.031 65.216 63.200 -0.025 0.000 0.884 68 S HN 0.252 nan 8.310 nan 0.000 0.506 69 V N 2.529 122.397 119.914 -0.075 0.000 2.837 69 V HA 0.396 4.516 4.120 -0.000 0.000 0.310 69 V C -0.016 175.988 176.094 -0.150 0.000 1.059 69 V CA -0.911 61.293 62.300 -0.160 0.000 1.004 69 V CB 1.712 33.242 31.823 -0.487 0.000 1.045 69 V HN 1.047 nan 8.190 nan 0.000 0.465 70 Q N 4.332 124.149 119.800 0.029 0.000 2.279 70 Q HA 0.149 4.489 4.340 -0.000 0.000 0.256 70 Q C -1.299 174.866 176.000 0.275 0.000 0.937 70 Q CA -0.569 55.309 55.803 0.126 0.000 0.933 70 Q CB 0.830 29.755 28.738 0.311 0.000 1.189 70 Q HN 0.767 nan 8.270 nan 0.000 0.417 71 W N 4.906 126.226 121.300 0.032 0.000 2.322 71 W HA 0.292 4.952 4.660 -0.000 0.000 0.307 71 W C -0.892 175.789 176.519 0.270 0.000 1.220 71 W CA -0.655 56.848 57.345 0.263 0.000 1.210 71 W CB 0.560 30.134 29.460 0.189 0.000 1.223 71 W HN 0.713 nan 8.180 nan 0.000 0.511 72 E N 3.269 123.862 120.200 0.656 0.000 2.299 72 E HA 0.051 4.401 4.350 -0.000 0.000 0.265 72 E C 1.062 177.810 176.600 0.248 0.000 0.911 72 E CA -0.778 55.825 56.400 0.339 0.000 0.789 72 E CB 1.962 31.844 29.700 0.304 0.000 1.246 72 E HN 0.485 nan 8.360 nan 0.000 0.427 73 N N 1.567 120.336 118.700 0.114 0.000 2.037 73 N HA -0.171 4.569 4.740 -0.000 0.000 0.196 73 N C 1.248 176.834 175.510 0.127 0.000 1.034 73 N CA 1.821 54.906 53.050 0.059 0.000 0.861 73 N CB -0.133 38.337 38.487 -0.028 0.000 1.039 73 N HN 0.587 nan 8.380 nan 0.000 0.427 74 G N 0.116 108.986 108.800 0.117 0.000 3.181 74 G HA2 0.037 3.997 3.960 -0.000 0.000 0.219 74 G HA3 0.037 3.997 3.960 -0.000 0.000 0.219 74 G C 0.083 175.056 174.900 0.121 0.000 1.182 74 G CA 0.084 45.245 45.100 0.103 0.000 0.791 74 G HN 0.429 nan 8.290 nan 0.000 0.537 75 S N 1.066 116.885 115.700 0.198 0.000 2.455 75 S HA 0.318 4.788 4.470 -0.000 0.000 0.278 75 S C -1.226 173.324 174.600 -0.084 0.000 1.216 75 S CA -1.096 57.174 58.200 0.117 0.000 1.055 75 S CB 2.023 65.408 63.200 0.309 0.000 0.939 75 S HN 0.014 nan 8.310 nan 0.000 0.494 76 P HA 0.189 nan 4.420 nan 0.000 0.217 76 P C 0.810 177.897 177.300 -0.355 0.000 1.151 76 P CA 1.304 64.299 63.100 -0.176 0.000 0.828 76 P CB -0.248 31.412 31.700 -0.067 0.000 0.788 77 G N -2.685 105.691 108.800 -0.707 0.000 2.336 77 G HA2 0.347 4.307 3.960 -0.000 0.000 0.300 77 G HA3 0.347 4.307 3.960 -0.000 0.000 0.300 77 G C -2.177 172.244 174.900 -0.798 0.000 1.375 77 G CA -0.957 43.674 45.100 -0.782 0.000 0.885 77 G HN -0.054 nan 8.290 nan 0.000 0.599 78 W N -0.763 120.731 121.300 0.323 0.000 3.107 78 W HA 0.646 5.306 4.660 -0.000 0.000 0.331 78 W C -1.119 175.450 176.519 0.083 0.000 1.204 78 W CA -1.040 56.276 57.345 -0.048 0.000 1.184 78 W CB 2.222 31.499 29.460 -0.304 0.000 1.421 78 W HN 0.937 nan 8.180 nan 0.000 0.544 79 W N 1.053 122.174 121.300 -0.299 0.000 3.033 79 W HA 0.796 5.456 4.660 -0.000 0.000 0.336 79 W C -1.872 174.413 176.519 -0.390 0.000 1.173 79 W CA -1.714 55.536 57.345 -0.159 0.000 1.185 79 W CB 0.958 30.280 29.460 -0.229 0.000 1.425 79 W HN 0.312 nan 8.180 nan 0.000 0.536 80 W N 2.259 123.655 121.300 0.160 0.000 2.936 80 W HA 0.473 5.133 4.660 -0.000 0.000 0.338 80 W C -0.692 175.661 176.519 -0.277 0.000 1.121 80 W CA -1.350 55.910 57.345 -0.142 0.000 1.209 80 W CB 2.815 32.133 29.460 -0.236 0.000 1.420 80 W HN 0.216 nan 8.180 nan 0.000 0.516 81 K N 2.220 122.426 120.400 -0.323 0.000 2.307 81 K HA 0.490 4.810 4.320 -0.000 0.000 0.263 81 K C -1.121 175.013 176.600 -0.777 0.000 0.973 81 K CA -0.636 55.380 56.287 -0.452 0.000 0.846 81 K CB 1.504 33.778 32.500 -0.376 0.000 1.100 81 K HN 0.136 nan 8.250 nan 0.000 0.438 82 F N 3.424 123.042 119.950 -0.553 0.000 2.458 82 F HA 0.281 4.808 4.527 -0.000 0.000 0.330 82 F C -1.081 174.545 175.800 -0.290 0.000 1.082 82 F CA -2.194 55.444 58.000 -0.602 0.000 0.995 82 F CB 1.277 39.535 39.000 -1.237 0.000 1.170 82 F HN 0.431 nan 8.300 nan 0.000 0.478 83 P HA -0.112 nan 4.420 nan 0.000 0.233 83 P C 0.836 178.190 177.300 0.090 0.000 1.167 83 P CA 1.091 64.320 63.100 0.214 0.000 0.770 83 P CB 0.149 32.148 31.700 0.498 0.000 0.837 84 D N 1.187 121.596 120.400 0.015 0.000 2.191 84 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 84 D C 2.096 178.339 176.300 -0.095 0.000 1.003 84 D CA 1.802 55.804 54.000 0.003 0.000 0.867 84 D CB -0.414 40.413 40.800 0.045 0.000 0.926 84 D HN 0.069 nan 8.370 nan 0.000 0.450 85 A N -0.238 122.374 122.820 -0.347 0.000 1.978 85 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 85 A C 2.094 179.592 177.584 -0.144 0.000 1.170 85 A CA 0.943 52.777 52.037 -0.337 0.000 0.636 85 A CB -0.577 17.963 19.000 -0.767 0.000 0.810 85 A HN 0.406 nan 8.150 nan 0.000 0.448 86 L N -0.095 121.079 121.223 -0.082 0.000 2.591 86 L HA 0.001 4.341 4.340 -0.000 0.000 0.228 86 L C 2.330 179.266 176.870 0.110 0.000 1.133 86 L CA 0.430 55.252 54.840 -0.030 0.000 0.880 86 L CB -0.381 41.582 42.059 -0.160 0.000 1.033 86 L HN 0.549 nan 8.230 nan 0.000 0.450 87 R N -0.515 120.047 120.500 0.104 0.000 2.249 87 R HA -0.160 4.180 4.340 -0.000 0.000 0.230 87 R C 0.653 177.001 176.300 0.080 0.000 1.121 87 R CA 1.450 57.625 56.100 0.124 0.000 0.997 87 R CB -0.289 30.129 30.300 0.197 0.000 0.867 87 R HN 0.352 nan 8.270 nan 0.000 0.465 88 D N -0.095 120.320 120.400 0.026 0.000 2.433 88 D HA 0.120 4.760 4.640 -0.000 0.000 0.211 88 D C -0.200 176.065 176.300 -0.059 0.000 1.114 88 D CA -0.051 53.941 54.000 -0.013 0.000 0.837 88 D CB 0.465 41.260 40.800 -0.008 0.000 0.984 88 D HN 0.119 nan 8.370 nan 0.000 0.505 89 M N 1.221 120.729 119.600 -0.152 0.000 2.319 89 M HA 0.230 4.710 4.480 -0.000 0.000 0.343 89 M C 1.329 177.381 176.300 -0.414 0.000 1.364 89 M CA -0.036 55.009 55.300 -0.426 0.000 1.292 89 M CB -0.270 31.796 32.600 -0.890 0.000 1.432 89 M HN 0.048 nan 8.290 nan 0.000 0.448 90 G N 3.238 111.998 108.800 -0.067 0.000 2.627 90 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.312 90 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.312 90 G C 0.821 175.809 174.900 0.147 0.000 1.299 90 G CA 0.224 45.400 45.100 0.127 0.000 0.989 90 G HN 0.647 nan 8.290 nan 0.000 0.547 91 L N 0.017 121.380 121.223 0.234 0.000 2.395 91 L HA 0.181 4.521 4.340 -0.000 0.000 0.218 91 L C 2.538 179.528 176.870 0.200 0.000 1.130 91 L CA 0.998 55.950 54.840 0.188 0.000 0.826 91 L CB -0.329 41.834 42.059 0.173 0.000 0.941 91 L HN 0.481 nan 8.230 nan 0.000 0.451 92 F N 0.911 120.958 119.950 0.160 0.000 2.075 92 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 92 F C 2.306 178.153 175.800 0.079 0.000 1.113 92 F CA 1.753 59.856 58.000 0.172 0.000 1.218 92 F CB -0.599 38.515 39.000 0.190 0.000 0.984 92 F HN 0.011 nan 8.300 nan 0.000 0.472 93 G N -0.062 108.870 108.800 0.219 0.000 2.476 93 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 93 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 93 G C 1.473 176.416 174.900 0.072 0.000 1.164 93 G CA 0.981 46.148 45.100 0.111 0.000 0.768 93 G HN 0.364 nan 8.290 nan 0.000 0.560 94 Q N 0.627 120.488 119.800 0.101 0.000 2.061 94 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 94 Q C 2.480 178.596 176.000 0.193 0.000 0.984 94 Q CA 1.091 57.022 55.803 0.214 0.000 0.846 94 Q CB -0.697 28.151 28.738 0.183 0.000 0.902 94 Q HN 0.490 nan 8.270 nan 0.000 0.421 95 N N 0.553 119.198 118.700 -0.091 0.000 2.166 95 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 95 N C 1.808 177.096 175.510 -0.369 0.000 1.019 95 N CA 1.284 54.102 53.050 -0.388 0.000 0.856 95 N CB -0.197 37.653 38.487 -1.062 0.000 0.993 95 N HN 0.354 nan 8.380 nan 0.000 0.426 96 M N -0.651 118.753 119.600 -0.327 0.000 2.229 96 M HA -0.181 4.299 4.480 -0.000 0.000 0.264 96 M C 1.932 178.344 176.300 0.186 0.000 1.063 96 M CA 1.374 56.609 55.300 -0.108 0.000 1.114 96 M CB -0.178 32.262 32.600 -0.267 0.000 1.387 96 M HN 0.010 nan 8.290 nan 0.000 0.420 97 Y N 0.211 120.567 120.300 0.094 0.000 2.286 97 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 97 Y C 1.001 176.862 175.900 -0.065 0.000 1.124 97 Y CA 1.267 59.435 58.100 0.112 0.000 1.178 97 Y CB -0.429 38.018 38.460 -0.023 0.000 1.010 97 Y HN 0.295 nan 8.280 nan 0.000 0.536 98 Y N -0.944 119.321 120.300 -0.058 0.000 2.490 98 Y HA 0.117 4.667 4.550 -0.000 0.000 0.281 98 Y C -0.166 175.516 175.900 -0.362 0.000 1.174 98 Y CA 0.199 58.134 58.100 -0.274 0.000 1.295 98 Y CB -0.172 38.089 38.460 -0.332 0.000 1.062 98 Y HN 0.055 nan 8.280 nan 0.000 0.522 99 H N -2.493 116.649 119.070 0.119 0.000 2.589 99 H HA 0.114 4.670 4.556 -0.000 0.000 0.351 99 H C 0.200 175.656 175.328 0.213 0.000 1.074 99 H CA -1.041 55.096 56.048 0.149 0.000 1.203 99 H CB 0.936 30.783 29.762 0.142 0.000 1.558 99 H HN -0.022 nan 8.280 nan 0.000 0.522 100 Y N 3.213 123.630 120.300 0.195 0.000 2.165 100 Y HA -0.037 4.513 4.550 -0.000 0.000 0.286 100 Y C -0.413 175.596 175.900 0.181 0.000 1.155 100 Y CA 1.481 59.676 58.100 0.158 0.000 1.164 100 Y CB 0.001 38.526 38.460 0.108 0.000 0.978 100 Y HN 0.425 nan 8.280 nan 0.000 0.513 101 L N 0.137 121.337 121.223 -0.037 0.000 2.346 101 L HA 0.695 5.034 4.340 -0.000 0.000 0.274 101 L C 0.126 177.011 176.870 0.026 0.000 1.007 101 L CA -0.529 54.219 54.840 -0.153 0.000 0.818 101 L CB 2.037 43.931 42.059 -0.275 0.000 1.284 101 L HN 0.125 nan 8.230 nan 0.000 0.424 102 G N 1.462 110.254 108.800 -0.014 0.000 2.659 102 G HA2 0.713 4.673 3.960 -0.000 0.000 0.296 102 G HA3 0.713 4.673 3.960 -0.000 0.000 0.296 102 G C -1.954 172.828 174.900 -0.198 0.000 1.369 102 G CA -0.568 44.470 45.100 -0.103 0.000 0.937 102 G HN 0.522 nan 8.290 nan 0.000 0.485 103 R N 0.202 120.468 120.500 -0.390 0.000 2.604 103 R HA 0.739 5.079 4.340 -0.000 0.000 0.281 103 R C -1.353 174.722 176.300 -0.375 0.000 1.020 103 R CA -0.479 55.369 56.100 -0.419 0.000 0.899 103 R CB 1.957 31.896 30.300 -0.601 0.000 1.205 103 R HN 1.245 nan 8.270 nan 0.000 0.450 104 A N 1.947 124.630 122.820 -0.228 0.000 2.599 104 A HA 0.613 4.933 4.320 -0.000 0.000 0.294 104 A C -1.107 176.206 177.584 -0.452 0.000 1.055 104 A CA -0.329 51.503 52.037 -0.342 0.000 0.683 104 A CB 1.418 20.228 19.000 -0.318 0.000 1.278 104 A HN 0.826 nan 8.150 nan 0.000 0.412 105 G N -0.714 107.740 108.800 -0.577 0.000 2.531 105 G HA2 0.677 4.637 3.960 -0.000 0.000 0.313 105 G HA3 0.677 4.637 3.960 -0.000 0.000 0.313 105 G C -1.287 173.058 174.900 -0.924 0.000 1.238 105 G CA -0.529 44.224 45.100 -0.579 0.000 0.994 105 G HN 0.751 nan 8.290 nan 0.000 0.493 106 Y N -1.796 118.352 120.300 -0.253 0.000 2.513 106 Y HA 0.379 4.929 4.550 -0.000 0.000 0.340 106 Y C 0.067 175.777 175.900 -0.316 0.000 1.055 106 Y CA -0.882 57.059 58.100 -0.264 0.000 1.020 106 Y CB 2.145 40.476 38.460 -0.215 0.000 1.301 106 Y HN 0.396 nan 8.280 nan 0.000 0.453 107 T N 4.741 119.204 114.554 -0.151 0.000 2.794 107 T HA 0.456 4.806 4.350 -0.000 0.000 0.304 107 T C -0.007 174.698 174.700 0.008 0.000 0.973 107 T CA -0.265 61.762 62.100 -0.122 0.000 0.972 107 T CB -0.509 68.289 68.868 -0.116 0.000 0.952 107 T HN 0.340 nan 8.240 nan 0.000 0.509 108 I N 3.791 124.348 120.570 -0.022 0.000 2.312 108 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 108 I C 0.173 176.346 176.117 0.093 0.000 1.031 108 I CA -0.498 60.792 61.300 -0.016 0.000 1.293 108 I CB 0.433 38.366 38.000 -0.110 0.000 1.403 108 I HN 0.577 nan 8.210 nan 0.000 0.484 109 H N 5.997 125.065 119.070 -0.004 0.000 2.786 109 H HA 0.436 4.992 4.556 -0.000 0.000 0.284 109 H C -1.143 174.126 175.328 -0.099 0.000 1.104 109 H CA -0.447 55.574 56.048 -0.045 0.000 1.339 109 H CB 0.934 30.655 29.762 -0.068 0.000 1.427 109 H HN 0.278 nan 8.280 nan 0.000 0.497 110 V N 5.617 125.319 119.914 -0.353 0.000 2.498 110 V HA 0.226 4.346 4.120 -0.000 0.000 0.279 110 V C -0.038 175.779 176.094 -0.460 0.000 1.048 110 V CA -0.351 61.740 62.300 -0.348 0.000 0.967 110 V CB 1.285 32.980 31.823 -0.213 0.000 0.988 110 V HN 0.767 nan 8.190 nan 0.000 0.473 111 Q N 3.098 122.686 119.800 -0.353 0.000 2.316 111 Q HA 0.674 5.014 4.340 -0.000 0.000 0.264 111 Q C -0.834 175.076 176.000 -0.151 0.000 0.987 111 Q CA -0.306 55.337 55.803 -0.266 0.000 0.852 111 Q CB 2.193 30.804 28.738 -0.212 0.000 1.287 111 Q HN 0.763 nan 8.270 nan 0.000 0.448 112 C N 4.261 123.510 119.300 -0.086 0.000 3.044 112 C HA 0.389 4.849 4.460 -0.000 0.000 0.382 112 C C -1.648 173.350 174.990 0.013 0.000 1.071 112 C CA -0.707 58.303 59.018 -0.014 0.000 1.296 112 C CB 0.047 27.827 27.740 0.067 0.000 1.730 112 C HN 1.005 nan 8.230 nan 0.000 0.513 113 N N 4.043 122.727 118.700 -0.028 0.000 2.361 113 N HA 0.777 5.517 4.740 -0.000 0.000 0.302 113 N C -0.036 175.412 175.510 -0.104 0.000 1.074 113 N CA 0.058 53.083 53.050 -0.041 0.000 0.850 113 N CB 2.417 40.876 38.487 -0.047 0.000 1.228 113 N HN 0.698 nan 8.380 nan 0.000 0.491 114 A N 1.540 124.285 122.820 -0.125 0.000 1.761 114 A HA 0.568 4.888 4.320 -0.000 0.000 0.168 114 A C -0.073 177.356 177.584 -0.257 0.000 1.884 114 A CA 0.816 52.660 52.037 -0.321 0.000 1.217 114 A CB -0.350 18.438 19.000 -0.352 0.000 0.934 114 A HN 1.271 nan 8.150 nan 0.000 0.682 115 S N -1.995 113.683 115.700 -0.036 0.000 2.710 115 S HA 0.258 4.728 4.470 -0.000 0.000 0.274 115 S C -0.278 174.414 174.600 0.154 0.000 1.029 115 S CA 0.049 58.320 58.200 0.119 0.000 0.864 115 S CB 0.371 63.743 63.200 0.287 0.000 1.103 115 S HN 0.253 nan 8.310 nan 0.000 0.460 116 K N 0.595 121.054 120.400 0.098 0.000 2.113 116 K HA -0.033 4.287 4.320 -0.000 0.000 0.208 116 K C 1.243 177.779 176.600 -0.107 0.000 1.047 116 K CA 1.790 58.053 56.287 -0.040 0.000 0.928 116 K CB -0.703 31.705 32.500 -0.153 0.000 0.716 116 K HN 0.659 nan 8.250 nan 0.000 0.446 117 F N 0.208 120.211 119.950 0.088 0.000 2.748 117 F HA -0.010 4.517 4.527 -0.000 0.000 0.299 117 F C 0.938 176.756 175.800 0.031 0.000 1.154 117 F CA 0.291 58.320 58.000 0.050 0.000 1.446 117 F CB -0.259 38.752 39.000 0.018 0.000 1.112 117 F HN 0.038 nan 8.300 nan 0.000 0.584 118 H N -0.259 118.914 119.070 0.172 0.000 2.495 118 H HA 0.463 5.019 4.556 -0.000 0.000 0.350 118 H C -0.004 175.370 175.328 0.078 0.000 1.202 118 H CA -0.604 55.524 56.048 0.134 0.000 1.322 118 H CB 0.729 30.517 29.762 0.045 0.000 1.544 118 H HN 0.095 nan 8.280 nan 0.000 0.565 119 Q N 0.245 120.150 119.800 0.176 0.000 2.456 119 Q HA 0.719 5.059 4.340 -0.000 0.000 0.284 119 Q C -0.996 175.041 176.000 0.061 0.000 1.061 119 Q CA -1.361 54.504 55.803 0.103 0.000 0.799 119 Q CB 3.102 31.884 28.738 0.073 0.000 1.445 119 Q HN 0.897 nan 8.270 nan 0.000 0.411 120 G N -0.540 108.332 108.800 0.120 0.000 2.307 120 G HA2 0.306 4.266 3.960 -0.000 0.000 0.348 120 G HA3 0.306 4.266 3.960 -0.000 0.000 0.348 120 G C -1.824 173.368 174.900 0.486 0.000 1.603 120 G CA -0.294 44.936 45.100 0.215 0.000 0.961 120 G HN 0.932 nan 8.290 nan 0.000 0.686 121 C N 2.584 122.260 119.300 0.626 0.000 2.516 121 C HA 0.761 5.221 4.460 -0.000 0.000 0.338 121 C C -0.019 175.298 174.990 0.545 0.000 1.132 121 C CA -0.763 58.577 59.018 0.537 0.000 1.310 121 C CB -0.386 27.541 27.740 0.311 0.000 1.898 121 C HN 0.971 nan 8.230 nan 0.000 0.452 122 I N 3.753 124.555 120.570 0.386 0.000 2.412 122 I HA 0.620 4.790 4.170 -0.000 0.000 0.296 122 I C -0.494 175.817 176.117 0.324 0.000 0.987 122 I CA -0.771 60.671 61.300 0.237 0.000 1.180 122 I CB 1.318 39.215 38.000 -0.172 0.000 1.340 122 I HN 0.501 nan 8.210 nan 0.000 0.455 123 L N 7.139 128.484 121.223 0.203 0.000 2.319 123 L HA 0.396 4.736 4.340 -0.000 0.000 0.280 123 L C -0.513 176.270 176.870 -0.144 0.000 1.099 123 L CA 0.187 54.812 54.840 -0.358 0.000 0.828 123 L CB 1.192 42.899 42.059 -0.587 0.000 1.150 123 L HN 0.525 nan 8.230 nan 0.000 0.442 124 V N 6.650 126.450 119.914 -0.190 0.000 2.313 124 V HA 0.509 4.629 4.120 -0.000 0.000 0.278 124 V C -0.395 175.669 176.094 -0.049 0.000 1.017 124 V CA -0.486 61.783 62.300 -0.052 0.000 0.823 124 V CB 1.337 33.136 31.823 -0.040 0.000 1.010 124 V HN 0.608 nan 8.190 nan 0.000 0.443 125 V N 5.542 125.473 119.914 0.029 0.000 2.709 125 V HA 0.500 4.620 4.120 -0.000 0.000 0.308 125 V C -0.510 175.650 176.094 0.109 0.000 1.062 125 V CA -0.341 61.994 62.300 0.058 0.000 0.901 125 V CB 2.103 33.946 31.823 0.033 0.000 1.003 125 V HN 0.916 nan 8.190 nan 0.000 0.425 126 C N 6.547 125.896 119.300 0.082 0.000 2.200 126 C HA 0.491 4.951 4.460 -0.000 0.000 0.328 126 C C 0.266 175.272 174.990 0.027 0.000 1.148 126 C CA -0.906 58.184 59.018 0.119 0.000 1.624 126 C CB -0.266 27.443 27.740 -0.052 0.000 2.167 126 C HN 0.604 nan 8.230 nan 0.000 0.484 127 V N 7.062 126.950 119.914 -0.044 0.000 2.353 127 V HA 0.216 4.336 4.120 -0.000 0.000 0.264 127 V C -1.915 174.035 176.094 -0.239 0.000 1.049 127 V CA -1.223 60.769 62.300 -0.513 0.000 0.896 127 V CB 0.517 31.969 31.823 -0.618 0.000 1.025 127 V HN 0.641 nan 8.190 nan 0.000 0.475 128 P HA 0.110 nan 4.420 nan 0.000 0.268 128 P C 0.260 177.555 177.300 -0.008 0.000 1.205 128 P CA 0.168 63.288 63.100 0.035 0.000 0.771 128 P CB 0.385 32.151 31.700 0.110 0.000 0.858 129 E N -0.227 120.010 120.200 0.062 0.000 2.294 129 E HA -0.249 4.101 4.350 -0.000 0.000 0.228 129 E C 0.008 176.618 176.600 0.016 0.000 1.253 129 E CA 1.031 57.479 56.400 0.079 0.000 0.716 129 E CB -2.085 27.678 29.700 0.104 0.000 1.184 129 E HN 0.617 nan 8.360 nan 0.000 0.374 130 A N 1.397 124.189 122.820 -0.046 0.000 3.051 130 A HA 0.028 4.348 4.320 -0.000 0.000 0.275 130 A C 0.669 178.208 177.584 -0.075 0.000 1.900 130 A CA 0.226 52.203 52.037 -0.100 0.000 1.496 130 A CB -0.417 18.485 19.000 -0.163 0.000 1.013 130 A HN 0.232 nan 8.150 nan 0.000 0.611 131 E N 2.642 122.825 120.200 -0.028 0.000 2.159 131 E HA 0.220 4.569 4.350 -0.000 0.000 0.272 131 E C -0.160 176.407 176.600 -0.055 0.000 1.138 131 E CA -0.038 56.352 56.400 -0.016 0.000 0.915 131 E CB 0.204 29.911 29.700 0.011 0.000 1.028 131 E HN 0.640 nan 8.360 nan 0.000 0.423 132 M N 2.680 122.225 119.600 -0.092 0.000 2.274 132 M HA 0.252 4.732 4.480 -0.000 0.000 0.344 132 M C 0.656 176.909 176.300 -0.079 0.000 1.161 132 M CA -0.362 54.858 55.300 -0.134 0.000 1.126 132 M CB 1.408 33.856 32.600 -0.253 0.000 1.522 132 M HN 0.504 nan 8.290 nan 0.000 0.461 133 G N 1.073 109.824 108.800 -0.081 0.000 2.444 133 G HA2 0.254 4.214 3.960 -0.000 0.000 0.268 133 G HA3 0.254 4.214 3.960 -0.000 0.000 0.268 133 G C -0.313 174.561 174.900 -0.043 0.000 1.203 133 G CA -0.471 44.598 45.100 -0.051 0.000 0.835 133 G HN 0.694 nan 8.290 nan 0.000 0.543 134 S N 0.675 116.363 115.700 -0.019 0.000 2.549 134 S HA 0.330 4.800 4.470 -0.000 0.000 0.283 134 S C 1.706 176.289 174.600 -0.029 0.000 1.320 134 S CA 0.197 58.391 58.200 -0.010 0.000 1.058 134 S CB 0.779 63.986 63.200 0.012 0.000 0.882 134 S HN 1.022 nan 8.310 nan 0.000 0.498 135 A N 4.171 126.966 122.820 -0.043 0.000 1.902 135 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 135 A C 1.505 179.064 177.584 -0.041 0.000 1.181 135 A CA 1.172 53.179 52.037 -0.051 0.000 0.623 135 A CB -0.599 18.362 19.000 -0.066 0.000 0.818 135 A HN 0.876 nan 8.150 nan 0.000 0.443 136 Q N 1.233 121.009 119.800 -0.040 0.000 2.534 136 Q HA 0.162 4.502 4.340 -0.000 0.000 0.223 136 Q C 1.242 177.234 176.000 -0.013 0.000 1.239 136 Q CA 0.404 56.189 55.803 -0.030 0.000 0.936 136 Q CB 0.070 28.784 28.738 -0.041 0.000 1.457 136 Q HN 0.687 nan 8.270 nan 0.000 0.547 137 T N -0.871 113.676 114.554 -0.012 0.000 2.718 137 T HA -0.307 4.043 4.350 -0.000 0.000 0.266 137 T C 1.740 176.441 174.700 0.001 0.000 1.033 137 T CA 1.996 64.093 62.100 -0.006 0.000 1.151 137 T CB -0.267 68.597 68.868 -0.006 0.000 0.853 137 T HN 0.458 nan 8.240 nan 0.000 0.466 138 S N 1.559 117.261 115.700 0.002 0.000 2.356 138 S HA 0.175 4.645 4.470 -0.000 0.000 0.223 138 S C 1.402 176.012 174.600 0.017 0.000 1.032 138 S CA 1.011 59.215 58.200 0.007 0.000 1.005 138 S CB -1.202 62.000 63.200 0.004 0.000 0.867 138 S HN 0.954 nan 8.310 nan 0.000 0.449 139 G N 0.232 109.045 108.800 0.023 0.000 2.543 139 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 139 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 139 G C -0.875 174.060 174.900 0.059 0.000 1.310 139 G CA -0.371 44.760 45.100 0.051 0.000 1.025 139 G HN 0.353 nan 8.290 nan 0.000 0.502 140 V N -0.637 119.333 119.914 0.093 0.000 2.630 140 V HA 0.427 4.547 4.120 -0.000 0.000 0.305 140 V C 0.649 176.811 176.094 0.114 0.000 1.046 140 V CA -0.797 61.546 62.300 0.072 0.000 0.934 140 V CB 1.439 33.282 31.823 0.033 0.000 1.003 140 V HN 0.521 nan 8.190 nan 0.000 0.451 141 V N 3.585 123.548 119.914 0.082 0.000 3.385 141 V HA 0.440 4.560 4.120 -0.000 0.000 0.301 141 V C 0.072 176.226 176.094 0.101 0.000 1.082 141 V CA -0.149 62.221 62.300 0.117 0.000 1.085 141 V CB 1.653 33.523 31.823 0.078 0.000 1.152 141 V HN 1.197 nan 8.190 nan 0.000 0.465 142 N N 1.265 120.065 118.700 0.167 0.000 2.396 142 N HA 0.104 4.844 4.740 -0.000 0.000 0.275 142 N C 0.355 175.947 175.510 0.135 0.000 1.218 142 N CA -0.513 52.603 53.050 0.109 0.000 0.812 142 N CB 1.212 39.708 38.487 0.015 0.000 1.592 142 N HN 0.582 nan 8.380 nan 0.000 0.480 143 Y N 1.567 121.883 120.300 0.027 0.000 2.062 143 Y HA -0.347 4.203 4.550 -0.000 0.000 0.273 143 Y C 2.363 178.241 175.900 -0.035 0.000 1.206 143 Y CA 3.037 61.154 58.100 0.028 0.000 1.125 143 Y CB -0.167 38.303 38.460 0.016 0.000 0.951 143 Y HN 0.839 nan 8.280 nan 0.000 0.501 144 E N -1.416 118.639 120.200 -0.242 0.000 2.267 144 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 144 E C 1.039 177.342 176.600 -0.496 0.000 0.998 144 E CA 1.932 58.067 56.400 -0.442 0.000 0.830 144 E CB -0.677 28.818 29.700 -0.342 0.000 0.751 144 E HN 0.777 nan 8.360 nan 0.000 0.491 145 H N -0.858 118.137 119.070 -0.126 0.000 2.529 145 H HA 0.217 4.773 4.556 -0.000 0.000 0.277 145 H C 1.098 176.403 175.328 -0.039 0.000 1.004 145 H CA -0.239 55.760 56.048 -0.082 0.000 1.167 145 H CB 0.607 30.367 29.762 -0.002 0.000 1.445 145 H HN 0.179 nan 8.280 nan 0.000 0.554 146 I N -1.056 119.490 120.570 -0.041 0.000 3.445 146 I HA 0.088 4.258 4.170 -0.000 0.000 0.288 146 I C 0.504 176.572 176.117 -0.083 0.000 1.198 146 I CA 0.608 61.919 61.300 0.018 0.000 1.417 146 I CB 0.470 38.485 38.000 0.025 0.000 1.205 146 I HN -0.012 nan 8.210 nan 0.000 0.448 147 S N 0.441 115.865 115.700 -0.461 0.000 2.603 147 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 147 S C -0.483 173.779 174.600 -0.564 0.000 1.168 147 S CA -0.488 57.401 58.200 -0.518 0.000 0.963 147 S CB 1.026 63.908 63.200 -0.530 0.000 1.078 147 S HN -0.026 nan 8.310 nan 0.000 0.477 148 K N 3.283 123.434 120.400 -0.415 0.000 2.969 148 K HA 0.468 4.788 4.320 -0.000 0.000 0.222 148 K C 1.294 177.790 176.600 -0.174 0.000 1.172 148 K CA 0.520 56.632 56.287 -0.291 0.000 1.192 148 K CB 0.101 32.433 32.500 -0.279 0.000 1.111 148 K HN 0.916 nan 8.250 nan 0.000 0.457 149 G N 2.187 110.908 108.800 -0.131 0.000 2.665 149 G HA2 -0.483 3.477 3.960 -0.000 0.000 0.326 149 G HA3 -0.483 3.477 3.960 -0.000 0.000 0.326 149 G C 0.967 175.828 174.900 -0.065 0.000 1.231 149 G CA 0.773 45.839 45.100 -0.056 0.000 0.992 149 G HN 0.596 nan 8.290 nan 0.000 0.549 150 E N 0.485 120.679 120.200 -0.010 0.000 2.511 150 E HA 0.274 4.624 4.350 -0.000 0.000 0.196 150 E C 0.994 177.695 176.600 0.167 0.000 1.066 150 E CA 0.154 56.595 56.400 0.068 0.000 0.871 150 E CB -0.034 29.687 29.700 0.036 0.000 0.863 150 E HN 0.585 nan 8.360 nan 0.000 0.520 151 I N 2.047 122.629 120.570 0.020 0.000 2.336 151 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 151 I C 0.225 176.132 176.117 -0.349 0.000 0.991 151 I CA -1.101 60.169 61.300 -0.051 0.000 1.227 151 I CB 1.441 39.385 38.000 -0.093 0.000 1.366 151 I HN 0.052 nan 8.210 nan 0.000 0.466 152 A N 5.219 127.753 122.820 -0.477 0.000 2.563 152 A HA 0.079 4.399 4.320 -0.000 0.000 0.256 152 A C 0.407 177.464 177.584 -0.878 0.000 1.056 152 A CA 0.319 51.672 52.037 -1.141 0.000 0.775 152 A CB -0.325 18.177 19.000 -0.829 0.000 0.973 152 A HN 0.708 nan 8.150 nan 0.000 0.516 153 S N 3.095 118.066 115.700 -1.215 0.000 2.499 153 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 153 S C 0.452 174.204 174.600 -1.413 0.000 1.257 153 S CA -0.422 56.960 58.200 -1.363 0.000 1.050 153 S CB 0.589 62.560 63.200 -2.048 0.000 0.937 153 S HN 0.704 nan 8.310 nan 0.000 0.490 154 R N 1.555 121.513 120.500 -0.903 0.000 2.410 154 R HA 0.343 4.683 4.340 -0.000 0.000 0.288 154 R C -0.726 175.257 176.300 -0.529 0.000 1.051 154 R CA -0.377 55.349 56.100 -0.624 0.000 1.021 154 R CB 0.511 30.611 30.300 -0.332 0.000 1.032 154 R HN 0.443 nan 8.270 nan 0.000 0.481 155 F N 0.380 120.197 119.950 -0.222 0.000 2.429 155 F HA 0.087 4.614 4.527 -0.000 0.000 0.348 155 F C 1.324 177.068 175.800 -0.093 0.000 1.109 155 F CA 0.531 58.526 58.000 -0.010 0.000 1.232 155 F CB 1.295 40.269 39.000 -0.043 0.000 1.157 155 F HN 0.286 nan 8.300 nan 0.000 0.564 156 T N 1.196 115.856 114.554 0.177 0.000 2.824 156 T HA 0.155 4.505 4.350 -0.000 0.000 0.280 156 T C 0.928 175.691 174.700 0.106 0.000 0.995 156 T CA -0.369 61.779 62.100 0.080 0.000 1.009 156 T CB 1.420 70.312 68.868 0.040 0.000 0.955 156 T HN 0.782 nan 8.240 nan 0.000 0.452 157 T N 2.963 117.589 114.554 0.120 0.000 2.985 157 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 157 T C 0.765 175.615 174.700 0.251 0.000 1.076 157 T CA 0.866 63.095 62.100 0.215 0.000 1.135 157 T CB -0.274 68.666 68.868 0.121 0.000 0.890 157 T HN 0.691 nan 8.240 nan 0.000 0.480 158 T N 2.097 116.735 114.554 0.140 0.000 2.794 158 T HA 0.215 4.565 4.350 -0.000 0.000 0.296 158 T C 0.537 175.298 174.700 0.101 0.000 0.949 158 T CA -0.051 62.117 62.100 0.113 0.000 1.101 158 T CB 1.214 70.115 68.868 0.055 0.000 0.905 158 T HN 0.085 nan 8.240 nan 0.000 0.516 159 T N 3.610 118.242 114.554 0.129 0.000 3.820 159 T HA 0.309 4.659 4.350 -0.000 0.000 0.224 159 T C 0.093 174.809 174.700 0.026 0.000 0.869 159 T CA 0.010 62.157 62.100 0.079 0.000 0.932 159 T CB -0.888 68.075 68.868 0.158 0.000 1.259 159 T HN 0.766 nan 8.240 nan 0.000 0.676 160 T N 0.166 114.722 114.554 0.004 0.000 2.831 160 T HA 0.609 4.959 4.350 -0.000 0.000 0.333 160 T C -2.122 172.558 174.700 -0.034 0.000 1.684 160 T CA 0.048 62.138 62.100 -0.017 0.000 1.049 160 T CB 1.094 69.956 68.868 -0.010 0.000 1.518 160 T HN 0.501 nan 8.240 nan 0.000 0.491 161 A N 2.137 124.921 122.820 -0.059 0.000 2.601 161 A HA 0.746 5.066 4.320 -0.000 0.000 0.291 161 A C -0.633 176.875 177.584 -0.126 0.000 1.075 161 A CA -0.552 51.432 52.037 -0.087 0.000 0.671 161 A CB 1.097 20.034 19.000 -0.104 0.000 1.277 161 A HN 1.116 nan 8.150 nan 0.000 0.417 162 E N 0.866 120.979 120.200 -0.144 0.000 2.436 162 E HA 0.141 4.491 4.350 -0.000 0.000 0.262 162 E C -0.526 175.899 176.600 -0.291 0.000 1.063 162 E CA -0.218 56.081 56.400 -0.169 0.000 0.944 162 E CB 0.298 29.934 29.700 -0.106 0.000 0.950 162 E HN 0.463 nan 8.360 nan 0.000 0.444 163 D N 1.682 121.925 120.400 -0.261 0.000 3.061 163 D HA -0.179 4.461 4.640 -0.000 0.000 0.226 163 D C -0.482 175.479 176.300 -0.565 0.000 1.168 163 D CA 1.250 54.995 54.000 -0.425 0.000 0.822 163 D CB -0.533 40.024 40.800 -0.406 0.000 1.152 163 D HN 0.698 nan 8.370 nan 0.000 0.555 164 H N -0.345 118.643 119.070 -0.136 0.000 2.862 164 H HA -0.142 4.414 4.556 -0.000 0.000 0.290 164 H C 0.817 175.995 175.328 -0.249 0.000 1.211 164 H CA 0.473 56.466 56.048 -0.091 0.000 1.140 164 H CB -1.676 28.130 29.762 0.074 0.000 1.341 164 H HN 0.376 nan 8.280 nan 0.000 0.392 165 G N 0.190 108.732 108.800 -0.429 0.000 2.444 165 G HA2 0.421 4.381 3.960 -0.000 0.000 0.268 165 G HA3 0.421 4.381 3.960 -0.000 0.000 0.268 165 G C 0.068 174.909 174.900 -0.098 0.000 1.203 165 G CA -0.099 44.760 45.100 -0.401 0.000 0.835 165 G HN 0.369 nan 8.290 nan 0.000 0.543 166 V N 1.698 121.615 119.914 0.005 0.000 2.843 166 V HA 0.169 4.289 4.120 -0.000 0.000 0.305 166 V C 0.833 176.910 176.094 -0.027 0.000 1.065 166 V CA -0.269 62.031 62.300 -0.001 0.000 1.116 166 V CB 1.345 33.177 31.823 0.016 0.000 0.968 166 V HN 0.786 nan 8.190 nan 0.000 0.487 167 Q N 5.063 124.829 119.800 -0.058 0.000 2.962 167 Q HA 0.338 4.678 4.340 -0.000 0.000 0.251 167 Q C 0.855 176.812 176.000 -0.072 0.000 1.380 167 Q CA 0.724 56.484 55.803 -0.073 0.000 0.926 167 Q CB -0.248 28.435 28.738 -0.091 0.000 1.704 167 Q HN 0.971 nan 8.270 nan 0.000 0.563 168 A N 2.420 125.239 122.820 -0.000 0.000 2.250 168 A HA 0.281 4.601 4.320 -0.000 0.000 0.208 168 A C 0.874 178.537 177.584 0.131 0.000 1.254 168 A CA 0.418 52.528 52.037 0.121 0.000 0.858 168 A CB -0.458 18.675 19.000 0.222 0.000 0.820 168 A HN 0.708 nan 8.150 nan 0.000 0.484 169 A N 0.170 122.895 122.820 -0.158 0.000 2.513 169 A HA 0.351 4.671 4.320 -0.000 0.000 0.274 169 A C 1.535 178.739 177.584 -0.634 0.000 1.115 169 A CA 0.233 51.966 52.037 -0.506 0.000 0.792 169 A CB -0.429 18.005 19.000 -0.943 0.000 1.053 169 A HN 0.573 nan 8.150 nan 0.000 0.515 170 V N 2.824 122.562 119.914 -0.293 0.000 2.252 170 V HA -0.383 3.737 4.120 -0.000 0.000 0.255 170 V C 2.198 178.120 176.094 -0.287 0.000 1.071 170 V CA 2.807 64.925 62.300 -0.302 0.000 1.050 170 V CB -1.616 30.127 31.823 -0.134 0.000 0.654 170 V HN 1.195 nan 8.190 nan 0.000 0.448 171 W N 1.225 122.417 121.300 -0.180 0.000 2.480 171 W HA -0.094 4.566 4.660 -0.000 0.000 0.257 171 W C 1.442 177.905 176.519 -0.093 0.000 1.235 171 W CA 1.124 58.379 57.345 -0.150 0.000 1.218 171 W CB -1.041 28.357 29.460 -0.105 0.000 1.131 171 W HN 0.270 nan 8.180 nan 0.000 0.606 172 N N 0.763 119.169 118.700 -0.489 0.000 2.234 172 N HA 0.306 5.046 4.740 -0.000 0.000 0.227 172 N C 0.990 176.380 175.510 -0.201 0.000 1.151 172 N CA 0.237 53.110 53.050 -0.294 0.000 0.865 172 N CB 0.380 38.648 38.487 -0.364 0.000 1.066 172 N HN 0.145 nan 8.380 nan 0.000 0.515 173 A N 0.844 123.526 122.820 -0.231 0.000 2.750 173 A HA -0.253 4.067 4.320 -0.000 0.000 0.298 173 A C 1.614 179.225 177.584 0.044 0.000 1.500 173 A CA 1.217 53.147 52.037 -0.179 0.000 0.891 173 A CB -2.122 16.818 19.000 -0.099 0.000 0.972 173 A HN 0.653 nan 8.150 nan 0.000 0.531 174 G N -2.549 106.257 108.800 0.010 0.000 2.168 174 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.263 174 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.263 174 G C 0.436 175.258 174.900 -0.131 0.000 0.977 174 G CA 1.226 46.279 45.100 -0.079 0.000 0.659 174 G HN 2.259 nan 8.290 nan 0.000 0.533 175 M N -2.926 116.618 119.600 -0.093 0.000 3.470 175 M HA 0.564 5.044 4.480 -0.000 0.000 0.454 175 M C 1.081 177.357 176.300 -0.041 0.000 1.631 175 M CA 0.187 55.446 55.300 -0.068 0.000 0.732 175 M CB 0.613 33.179 32.600 -0.057 0.000 1.454 175 M HN 1.432 nan 8.290 nan 0.000 0.521 176 G N 1.253 110.018 108.800 -0.059 0.000 2.187 176 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.261 176 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.261 176 G C -0.123 174.770 174.900 -0.011 0.000 1.000 176 G CA 0.545 45.622 45.100 -0.037 0.000 0.718 176 G HN 0.994 nan 8.290 nan 0.000 0.519 177 V N -3.319 116.591 119.914 -0.007 0.000 3.158 177 V HA 0.982 5.102 4.120 -0.000 0.000 0.315 177 V C 0.870 176.981 176.094 0.029 0.000 1.148 177 V CA -0.655 61.659 62.300 0.024 0.000 1.042 177 V CB 1.549 33.403 31.823 0.052 0.000 1.101 177 V HN 1.229 nan 8.190 nan 0.000 0.448 178 G N -0.201 108.632 108.800 0.055 0.000 2.360 178 G HA2 0.371 4.330 3.960 -0.000 0.000 0.279 178 G HA3 0.371 4.330 3.960 -0.000 0.000 0.279 178 G C 0.678 175.634 174.900 0.093 0.000 1.189 178 G CA 0.363 45.512 45.100 0.081 0.000 0.941 178 G HN 1.208 nan 8.290 nan 0.000 0.445 179 V N 3.644 123.610 119.914 0.086 0.000 2.453 179 V HA -0.152 3.968 4.120 -0.000 0.000 0.252 179 V C 2.561 178.837 176.094 0.303 0.000 1.068 179 V CA 2.910 65.278 62.300 0.113 0.000 1.070 179 V CB -0.576 31.235 31.823 -0.021 0.000 0.664 179 V HN 0.740 nan 8.190 nan 0.000 0.461 180 G N -0.456 108.539 108.800 0.324 0.000 2.498 180 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 180 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 180 G C 1.204 176.198 174.900 0.156 0.000 1.119 180 G CA 0.730 46.043 45.100 0.356 0.000 0.766 180 G HN 0.592 nan 8.290 nan 0.000 0.552 181 N N -0.000 118.762 118.700 0.103 0.000 2.280 181 N HA 0.146 4.886 4.740 -0.000 0.000 0.192 181 N C 1.972 177.467 175.510 -0.024 0.000 1.109 181 N CA -0.106 52.957 53.050 0.021 0.000 0.855 181 N CB 0.209 38.705 38.487 0.015 0.000 0.974 181 N HN 0.256 nan 8.380 nan 0.000 0.482 182 L N 0.211 121.458 121.223 0.040 0.000 2.261 182 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 182 L C 2.262 179.093 176.870 -0.065 0.000 1.114 182 L CA 1.015 55.914 54.840 0.098 0.000 0.777 182 L CB -0.607 41.530 42.059 0.129 0.000 0.910 182 L HN 0.157 nan 8.230 nan 0.000 0.440 183 T N -0.065 114.315 114.554 -0.291 0.000 2.869 183 T HA -0.241 4.109 4.350 -0.000 0.000 0.270 183 T C 1.732 176.200 174.700 -0.386 0.000 1.082 183 T CA 1.225 62.930 62.100 -0.658 0.000 1.123 183 T CB -0.209 68.393 68.868 -0.443 0.000 0.856 183 T HN 0.244 nan 8.240 nan 0.000 0.499 184 I N 0.188 120.585 120.570 -0.289 0.000 2.454 184 I HA 0.098 4.268 4.170 -0.000 0.000 0.254 184 I C -0.018 175.935 176.117 -0.273 0.000 1.156 184 I CA 0.668 61.791 61.300 -0.295 0.000 1.433 184 I CB -0.380 37.358 38.000 -0.436 0.000 1.082 184 I HN 0.106 nan 8.210 nan 0.000 0.432 185 F N 2.167 122.122 119.950 0.008 0.000 2.380 185 F HA 0.380 4.907 4.527 -0.000 0.000 0.325 185 F C -1.778 174.001 175.800 -0.035 0.000 1.136 185 F CA -2.974 55.030 58.000 0.007 0.000 1.171 185 F CB -0.907 38.104 39.000 0.018 0.000 1.230 185 F HN -0.129 nan 8.300 nan 0.000 0.554 186 P HA 0.012 nan 4.420 nan 0.000 0.258 186 P C -0.872 176.438 177.300 0.017 0.000 1.187 186 P CA 0.794 63.815 63.100 -0.132 0.000 0.767 186 P CB -0.182 31.309 31.700 -0.348 0.000 0.770 187 H N 1.644 120.637 119.070 -0.130 0.000 3.016 187 H HA 0.568 5.124 4.556 -0.000 0.000 0.362 187 H C -1.192 174.045 175.328 -0.153 0.000 1.233 187 H CA -0.882 55.071 56.048 -0.159 0.000 1.124 187 H CB 1.497 31.118 29.762 -0.235 0.000 1.850 187 H HN 0.339 nan 8.280 nan 0.000 0.549 188 Q N 0.154 119.820 119.800 -0.224 0.000 2.683 188 Q HA 0.377 4.717 4.340 -0.000 0.000 0.302 188 Q C -1.414 174.501 176.000 -0.142 0.000 1.042 188 Q CA -0.884 54.821 55.803 -0.163 0.000 0.773 188 Q CB 2.922 31.625 28.738 -0.059 0.000 1.508 188 Q HN 0.590 nan 8.270 nan 0.000 0.459 189 W N 0.960 122.273 121.300 0.021 0.000 2.839 189 W HA 0.548 5.208 4.660 -0.000 0.000 0.334 189 W C -0.796 175.746 176.519 0.038 0.000 1.064 189 W CA -0.281 57.089 57.345 0.041 0.000 1.236 189 W CB 1.002 30.484 29.460 0.037 0.000 1.405 189 W HN 0.332 nan 8.180 nan 0.000 0.478 190 I N 3.884 124.620 120.570 0.277 0.000 2.307 190 I HA 0.104 4.274 4.170 -0.000 0.000 0.287 190 I C -0.037 176.247 176.117 0.279 0.000 1.054 190 I CA -0.557 60.868 61.300 0.209 0.000 1.218 190 I CB 0.310 38.387 38.000 0.128 0.000 1.398 190 I HN 0.314 nan 8.210 nan 0.000 0.475 191 N N 6.631 125.472 118.700 0.235 0.000 2.439 191 N HA 0.261 5.000 4.740 -0.000 0.000 0.249 191 N C 0.812 176.430 175.510 0.179 0.000 1.003 191 N CA -0.282 52.894 53.050 0.210 0.000 0.942 191 N CB 1.107 39.659 38.487 0.110 0.000 1.115 191 N HN 0.539 nan 8.380 nan 0.000 0.505 192 L N 2.430 123.786 121.223 0.222 0.000 2.270 192 L HA -0.207 4.133 4.340 -0.000 0.000 0.217 192 L C 2.406 179.336 176.870 0.100 0.000 1.107 192 L CA 1.062 56.001 54.840 0.164 0.000 0.772 192 L CB -0.260 41.898 42.059 0.164 0.000 0.902 192 L HN 0.632 nan 8.230 nan 0.000 0.439 193 R N -0.260 120.290 120.500 0.083 0.000 2.075 193 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 193 R C 2.002 178.324 176.300 0.036 0.000 1.126 193 R CA 2.031 58.157 56.100 0.044 0.000 0.963 193 R CB -0.214 30.103 30.300 0.028 0.000 0.858 193 R HN 0.210 nan 8.270 nan 0.000 0.435 194 T N 0.921 115.503 114.554 0.048 0.000 2.866 194 T HA 0.030 4.380 4.350 -0.000 0.000 0.250 194 T C 0.338 175.067 174.700 0.048 0.000 1.033 194 T CA 0.815 62.939 62.100 0.041 0.000 1.145 194 T CB -0.076 68.817 68.868 0.041 0.000 0.866 194 T HN 0.474 nan 8.240 nan 0.000 0.434 195 N N 1.538 120.278 118.700 0.066 0.000 2.455 195 N HA 0.234 4.974 4.740 -0.000 0.000 0.278 195 N C -0.854 174.693 175.510 0.062 0.000 1.291 195 N CA -0.752 52.334 53.050 0.061 0.000 0.780 195 N CB 1.026 39.552 38.487 0.066 0.000 1.520 195 N HN 0.145 nan 8.380 nan 0.000 0.486 196 N N -1.838 116.887 118.700 0.043 0.000 2.184 196 N HA 0.132 4.872 4.740 -0.000 0.000 0.206 196 N C -0.816 174.689 175.510 -0.007 0.000 1.151 196 N CA -0.192 52.874 53.050 0.027 0.000 0.878 196 N CB 0.239 38.734 38.487 0.013 0.000 1.014 196 N HN 0.665 nan 8.380 nan 0.000 0.512 197 S N -1.662 114.034 115.700 -0.006 0.000 2.565 197 S HA 0.822 5.292 4.470 -0.000 0.000 0.269 197 S C -1.596 172.977 174.600 -0.044 0.000 1.153 197 S CA -0.726 57.423 58.200 -0.086 0.000 0.835 197 S CB 1.364 64.501 63.200 -0.105 0.000 1.122 197 S HN 0.377 nan 8.310 nan 0.000 0.462 198 A N 0.973 123.722 122.820 -0.118 0.000 2.374 198 A HA 0.900 5.220 4.320 -0.000 0.000 0.317 198 A C -0.531 177.061 177.584 0.013 0.000 1.094 198 A CA -0.821 51.194 52.037 -0.036 0.000 0.765 198 A CB 1.652 20.625 19.000 -0.044 0.000 1.268 198 A HN 0.976 nan 8.150 nan 0.000 0.438 199 T N 2.298 116.896 114.554 0.073 0.000 2.949 199 T HA 0.513 4.863 4.350 -0.000 0.000 0.300 199 T C -0.771 173.938 174.700 0.015 0.000 0.988 199 T CA 0.068 62.238 62.100 0.117 0.000 0.993 199 T CB 0.369 69.341 68.868 0.174 0.000 0.984 199 T HN 0.458 nan 8.240 nan 0.000 0.442 200 I N 2.809 123.363 120.570 -0.027 0.000 2.382 200 I HA 0.392 4.562 4.170 -0.000 0.000 0.286 200 I C -0.307 175.717 176.117 -0.155 0.000 1.002 200 I CA -1.148 60.092 61.300 -0.099 0.000 1.135 200 I CB 1.947 39.877 38.000 -0.115 0.000 1.288 200 I HN 0.297 nan 8.210 nan 0.000 0.448 201 V N 7.053 126.832 119.914 -0.225 0.000 2.304 201 V HA 0.223 4.343 4.120 -0.000 0.000 0.262 201 V C 0.232 176.088 176.094 -0.396 0.000 1.061 201 V CA -0.339 61.730 62.300 -0.384 0.000 0.872 201 V CB 0.832 32.269 31.823 -0.643 0.000 1.077 201 V HN 0.625 nan 8.190 nan 0.000 0.480 202 M N 9.890 129.273 119.600 -0.360 0.000 2.120 202 M HA 0.462 4.942 4.480 -0.000 0.000 0.354 202 M C -2.385 173.721 176.300 -0.324 0.000 1.287 202 M CA -2.044 53.029 55.300 -0.377 0.000 1.103 202 M CB 1.035 33.303 32.600 -0.553 0.000 1.623 202 M HN 0.249 nan 8.290 nan 0.000 0.471 203 P HA 0.040 nan 4.420 nan 0.000 0.274 203 P C -1.365 175.886 177.300 -0.082 0.000 1.256 203 P CA -0.215 62.792 63.100 -0.154 0.000 0.795 203 P CB 0.175 31.838 31.700 -0.062 0.000 1.038 204 Y N 1.334 121.550 120.300 -0.140 0.000 2.730 204 Y HA 0.178 4.728 4.550 -0.000 0.000 0.357 204 Y C -0.532 175.355 175.900 -0.020 0.000 1.167 204 Y CA 0.182 58.239 58.100 -0.072 0.000 1.579 204 Y CB -0.506 37.903 38.460 -0.086 0.000 1.262 204 Y HN -0.056 nan 8.280 nan 0.000 0.510 205 V N 7.546 127.258 119.914 -0.338 0.000 2.318 205 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 205 V C -0.311 175.546 176.094 -0.395 0.000 1.030 205 V CA -0.431 61.713 62.300 -0.261 0.000 0.844 205 V CB 0.527 32.305 31.823 -0.076 0.000 1.015 205 V HN 0.827 nan 8.190 nan 0.000 0.460 206 N N 2.181 120.656 118.700 -0.374 0.000 2.859 206 N HA 0.181 4.921 4.740 -0.000 0.000 0.250 206 N C 0.562 176.051 175.510 -0.036 0.000 1.341 206 N CA 0.055 52.973 53.050 -0.221 0.000 0.881 206 N CB 2.073 40.324 38.487 -0.393 0.000 1.516 206 N HN 0.348 nan 8.380 nan 0.000 0.503 207 S N -0.536 115.182 115.700 0.031 0.000 2.660 207 S HA 0.274 4.744 4.470 -0.000 0.000 0.223 207 S C 0.369 175.013 174.600 0.073 0.000 0.963 207 S CA -0.062 58.165 58.200 0.044 0.000 0.932 207 S CB -0.291 62.929 63.200 0.033 0.000 0.775 207 S HN 0.392 nan 8.310 nan 0.000 0.531 208 V N 1.425 121.415 119.914 0.126 0.000 2.891 208 V HA 0.373 4.493 4.120 -0.000 0.000 0.304 208 V C -2.136 174.088 176.094 0.218 0.000 1.171 208 V CA -1.857 60.525 62.300 0.137 0.000 0.943 208 V CB 2.412 34.298 31.823 0.106 0.000 1.037 208 V HN -0.026 nan 8.190 nan 0.000 0.427 209 P HA -0.026 nan 4.420 nan 0.000 0.216 209 P C 0.238 177.497 177.300 -0.069 0.000 1.150 209 P CA 1.400 64.543 63.100 0.073 0.000 0.837 209 P CB 0.270 31.976 31.700 0.010 0.000 0.786 210 M N -1.895 117.692 119.600 -0.023 0.000 2.658 210 M HA 0.384 4.864 4.480 -0.000 0.000 0.295 210 M C -0.902 175.431 176.300 0.055 0.000 1.248 210 M CA -0.701 54.548 55.300 -0.084 0.000 0.843 210 M CB 2.937 35.453 32.600 -0.141 0.000 1.749 210 M HN -0.254 nan 8.290 nan 0.000 0.464 211 D N 0.166 120.611 120.400 0.075 0.000 2.596 211 D HA 0.221 4.861 4.640 -0.000 0.000 0.262 211 D C -1.629 174.690 176.300 0.032 0.000 1.210 211 D CA -0.426 53.629 54.000 0.092 0.000 0.873 211 D CB 2.129 43.099 40.800 0.283 0.000 1.408 211 D HN 0.631 nan 8.370 nan 0.000 0.441 212 N N 1.849 120.573 118.700 0.040 0.000 2.475 212 N HA -0.011 4.729 4.740 -0.000 0.000 0.267 212 N C 1.399 177.003 175.510 0.158 0.000 1.169 212 N CA -0.153 52.955 53.050 0.096 0.000 0.947 212 N CB 0.753 39.346 38.487 0.177 0.000 1.061 212 N HN 0.366 nan 8.380 nan 0.000 0.466 213 M N 3.467 123.140 119.600 0.122 0.000 2.279 213 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 213 M C 0.811 177.073 176.300 -0.064 0.000 1.062 213 M CA 1.395 56.712 55.300 0.029 0.000 1.099 213 M CB -0.736 31.815 32.600 -0.081 0.000 1.394 213 M HN 0.618 nan 8.290 nan 0.000 0.426 214 Y N -0.343 120.071 120.300 0.191 0.000 2.239 214 Y HA 0.083 4.633 4.550 -0.000 0.000 0.293 214 Y C 2.602 178.562 175.900 0.100 0.000 1.126 214 Y CA 0.798 58.993 58.100 0.159 0.000 1.128 214 Y CB -0.612 37.927 38.460 0.131 0.000 1.066 214 Y HN 0.065 nan 8.280 nan 0.000 0.516 215 R N -0.376 120.267 120.500 0.239 0.000 2.119 215 R HA -0.204 4.136 4.340 -0.000 0.000 0.246 215 R C 0.402 176.688 176.300 -0.024 0.000 1.146 215 R CA 1.612 57.764 56.100 0.088 0.000 0.962 215 R CB -0.612 29.748 30.300 0.099 0.000 0.863 215 R HN 0.388 nan 8.270 nan 0.000 0.442 216 H N 0.447 119.477 119.070 -0.066 0.000 2.541 216 H HA 0.104 4.660 4.556 -0.000 0.000 0.316 216 H C -0.704 174.604 175.328 -0.032 0.000 1.043 216 H CA -0.925 55.061 56.048 -0.103 0.000 1.232 216 H CB 0.507 30.279 29.762 0.016 0.000 1.406 216 H HN 0.147 nan 8.280 nan 0.000 0.469 217 H N 5.278 124.446 119.070 0.164 0.000 2.969 217 H HA 0.014 4.570 4.556 -0.000 0.000 0.269 217 H C 0.707 175.931 175.328 -0.174 0.000 1.223 217 H CA -0.494 55.551 56.048 -0.006 0.000 1.400 217 H CB 0.219 30.003 29.762 0.037 0.000 1.500 217 H HN 0.730 nan 8.280 nan 0.000 0.486 218 N N 2.549 121.132 118.700 -0.194 0.000 2.223 218 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 218 N C 0.350 175.946 175.510 0.143 0.000 1.016 218 N CA 0.928 53.838 53.050 -0.234 0.000 0.863 218 N CB 0.266 38.728 38.487 -0.042 0.000 0.983 218 N HN 0.484 nan 8.380 nan 0.000 0.429 219 F N -2.516 117.438 119.950 0.007 0.000 2.719 219 F HA 0.504 5.031 4.527 -0.000 0.000 0.309 219 F C -1.336 174.530 175.800 0.109 0.000 1.138 219 F CA -1.208 56.806 58.000 0.023 0.000 0.943 219 F CB 0.883 39.887 39.000 0.007 0.000 1.304 219 F HN -0.402 nan 8.300 nan 0.000 0.445 220 T N 3.204 117.824 114.554 0.108 0.000 2.807 220 T HA 0.536 4.886 4.350 -0.000 0.000 0.279 220 T C -1.168 173.688 174.700 0.259 0.000 0.993 220 T CA -0.417 61.726 62.100 0.073 0.000 0.970 220 T CB 1.537 70.396 68.868 -0.015 0.000 0.950 220 T HN 0.823 nan 8.240 nan 0.000 0.441 221 L N 4.591 126.042 121.223 0.379 0.000 2.295 221 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 221 L C -0.524 176.652 176.870 0.510 0.000 1.079 221 L CA 0.093 55.206 54.840 0.455 0.000 0.830 221 L CB -0.162 42.221 42.059 0.539 0.000 1.200 221 L HN 0.648 nan 8.230 nan 0.000 0.438 222 M N 6.655 126.494 119.600 0.397 0.000 2.180 222 M HA 0.424 4.904 4.480 -0.000 0.000 0.350 222 M C -0.771 175.768 176.300 0.398 0.000 1.125 222 M CA -0.155 55.428 55.300 0.472 0.000 1.031 222 M CB 1.436 34.263 32.600 0.377 0.000 1.623 222 M HN 0.446 nan 8.290 nan 0.000 0.451 223 I N 5.303 126.188 120.570 0.524 0.000 2.371 223 I HA 0.413 4.583 4.170 -0.000 0.000 0.282 223 I C -0.774 175.565 176.117 0.369 0.000 1.031 223 I CA -0.291 61.267 61.300 0.430 0.000 1.180 223 I CB 0.773 39.101 38.000 0.546 0.000 1.336 223 I HN 0.638 nan 8.210 nan 0.000 0.467 224 I N 8.382 129.064 120.570 0.186 0.000 2.382 224 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 224 I C -2.259 173.952 176.117 0.157 0.000 1.002 224 I CA -2.083 59.251 61.300 0.057 0.000 1.135 224 I CB 1.849 39.819 38.000 -0.051 0.000 1.288 224 I HN 0.239 nan 8.210 nan 0.000 0.448 225 P HA 0.073 nan 4.420 nan 0.000 0.267 225 P C 0.224 177.691 177.300 0.279 0.000 1.328 225 P CA 0.158 63.390 63.100 0.219 0.000 0.990 225 P CB 0.029 31.892 31.700 0.271 0.000 1.168 226 F N 2.203 122.315 119.950 0.269 0.000 2.234 226 F HA -0.040 4.486 4.527 -0.000 0.000 0.296 226 F C 1.313 177.234 175.800 0.202 0.000 1.089 226 F CA 1.125 59.274 58.000 0.249 0.000 1.343 226 F CB 0.247 39.466 39.000 0.366 0.000 1.040 226 F HN 0.020 nan 8.300 nan 0.000 0.498 227 V N 2.366 122.534 119.914 0.423 0.000 2.384 227 V HA 0.306 4.426 4.120 -0.000 0.000 0.287 227 V C -2.134 174.171 176.094 0.353 0.000 1.020 227 V CA -2.191 60.287 62.300 0.298 0.000 0.850 227 V CB 1.403 33.367 31.823 0.234 0.000 0.987 227 V HN -0.175 nan 8.190 nan 0.000 0.436 228 P HA 0.078 nan 4.420 nan 0.000 0.269 228 P C -0.370 177.026 177.300 0.159 0.000 1.209 228 P CA -0.362 62.894 63.100 0.260 0.000 0.776 228 P CB 0.565 32.348 31.700 0.139 0.000 0.876 229 L N 2.856 124.093 121.223 0.023 0.000 2.462 229 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 229 L C -0.147 176.637 176.870 -0.144 0.000 1.166 229 L CA 1.104 55.704 54.840 -0.400 0.000 0.880 229 L CB -0.655 40.786 42.059 -1.031 0.000 1.142 229 L HN 0.257 nan 8.230 nan 0.000 0.473 230 D N 3.601 123.967 120.400 -0.055 0.000 2.661 230 D HA 0.668 5.308 4.640 -0.000 0.000 0.228 230 D C -1.278 175.062 176.300 0.067 0.000 1.210 230 D CA -0.042 53.904 54.000 -0.091 0.000 0.826 230 D CB 1.400 42.140 40.800 -0.100 0.000 1.542 230 D HN 0.324 nan 8.370 nan 0.000 0.447 231 F N -0.687 119.192 119.950 -0.117 0.000 2.817 231 F HA 0.699 5.226 4.527 -0.000 0.000 0.317 231 F C -0.444 175.272 175.800 -0.140 0.000 1.168 231 F CA -0.960 56.909 58.000 -0.217 0.000 0.911 231 F CB 0.453 39.127 39.000 -0.544 0.000 1.337 231 F HN 0.220 nan 8.300 nan 0.000 0.464 232 S N 0.387 116.116 115.700 0.047 0.000 2.786 232 S HA 0.806 5.276 4.470 -0.000 0.000 0.302 232 S C 0.061 174.690 174.600 0.048 0.000 1.080 232 S CA -0.580 57.605 58.200 -0.024 0.000 0.925 232 S CB 0.666 63.854 63.200 -0.021 0.000 1.325 232 S HN 1.889 nan 8.310 nan 0.000 0.576 233 A N 0.330 123.149 122.820 -0.003 0.000 2.320 233 A HA 0.343 4.663 4.320 -0.000 0.000 0.309 233 A C 1.456 179.049 177.584 0.016 0.000 1.019 233 A CA 0.719 52.757 52.037 0.002 0.000 1.241 233 A CB -2.108 16.879 19.000 -0.023 0.000 0.775 233 A HN 2.552 nan 8.150 nan 0.000 0.411 234 G N 1.084 109.920 108.800 0.059 0.000 2.295 234 G HA2 0.139 4.099 3.960 -0.000 0.000 0.287 234 G HA3 0.139 4.099 3.960 -0.000 0.000 0.287 234 G C 0.386 175.306 174.900 0.033 0.000 1.055 234 G CA 0.512 45.643 45.100 0.052 0.000 0.922 234 G HN 2.424 nan 8.290 nan 0.000 0.503 235 A N 0.446 123.310 122.820 0.072 0.000 3.047 235 A HA 0.778 5.098 4.320 -0.000 0.000 0.337 235 A C 0.933 178.435 177.584 -0.136 0.000 1.143 235 A CA 0.690 52.709 52.037 -0.030 0.000 0.905 235 A CB 0.158 19.105 19.000 -0.088 0.000 1.088 235 A HN 1.840 nan 8.150 nan 0.000 0.488 236 S N 0.638 116.289 115.700 -0.081 0.000 3.580 236 S HA -0.145 4.325 4.470 -0.000 0.000 0.472 236 S C 1.430 175.786 174.600 -0.407 0.000 0.730 236 S CA 0.862 58.984 58.200 -0.130 0.000 1.324 236 S CB -1.019 62.141 63.200 -0.067 0.000 1.439 236 S HN 0.943 nan 8.310 nan 0.000 0.676 237 T N 1.366 115.814 114.554 -0.175 0.000 2.732 237 T HA -0.102 4.248 4.350 -0.000 0.000 0.261 237 T C 0.740 175.462 174.700 0.037 0.000 1.040 237 T CA 1.142 63.222 62.100 -0.032 0.000 1.145 237 T CB -0.120 68.877 68.868 0.215 0.000 0.866 237 T HN 0.660 nan 8.240 nan 0.000 0.427 238 Y N 2.956 123.223 120.300 -0.055 0.000 2.587 238 Y HA 0.404 4.954 4.550 -0.000 0.000 0.344 238 Y C -0.414 175.446 175.900 -0.066 0.000 1.061 238 Y CA -1.516 56.572 58.100 -0.021 0.000 1.370 238 Y CB 0.296 38.752 38.460 -0.005 0.000 1.163 238 Y HN -0.027 nan 8.280 nan 0.000 0.527 239 V N 10.301 129.979 119.914 -0.393 0.000 2.445 239 V HA 0.527 4.647 4.120 -0.000 0.000 0.283 239 V C -2.741 173.139 176.094 -0.356 0.000 1.014 239 V CA -2.193 59.858 62.300 -0.414 0.000 0.852 239 V CB 1.307 32.961 31.823 -0.281 0.000 1.021 239 V HN 0.663 nan 8.190 nan 0.000 0.435 240 P HA 0.509 nan 4.420 nan 0.000 0.276 240 P C -0.753 176.455 177.300 -0.153 0.000 1.261 240 P CA -0.344 62.551 63.100 -0.341 0.000 0.800 240 P CB 1.238 32.726 31.700 -0.353 0.000 1.066 241 I N 0.454 120.917 120.570 -0.179 0.000 2.439 241 I HA 0.240 4.410 4.170 -0.000 0.000 0.285 241 I C -0.290 175.705 176.117 -0.203 0.000 1.021 241 I CA -0.259 60.920 61.300 -0.202 0.000 1.091 241 I CB 1.671 39.463 38.000 -0.346 0.000 1.242 241 I HN 0.080 nan 8.210 nan 0.000 0.439 242 T N 5.627 120.076 114.554 -0.176 0.000 2.758 242 T HA 0.286 4.636 4.350 -0.000 0.000 0.285 242 T C -0.406 174.159 174.700 -0.225 0.000 0.981 242 T CA -0.411 61.589 62.100 -0.167 0.000 0.965 242 T CB 2.020 70.820 68.868 -0.113 0.000 0.927 242 T HN 0.287 nan 8.240 nan 0.000 0.448 243 V N 4.877 124.614 119.914 -0.294 0.000 2.350 243 V HA 0.536 4.656 4.120 -0.000 0.000 0.276 243 V C -0.338 175.635 176.094 -0.201 0.000 1.028 243 V CA -0.034 62.058 62.300 -0.347 0.000 0.860 243 V CB 0.907 32.307 31.823 -0.706 0.000 0.990 243 V HN 0.964 nan 8.190 nan 0.000 0.453 244 T N 6.453 120.949 114.554 -0.096 0.000 2.779 244 T HA 0.568 4.918 4.350 -0.000 0.000 0.280 244 T C -0.708 174.087 174.700 0.158 0.000 0.987 244 T CA -0.253 61.873 62.100 0.042 0.000 0.966 244 T CB 1.467 70.351 68.868 0.028 0.000 0.933 244 T HN 0.714 nan 8.240 nan 0.000 0.442 245 V N 2.394 122.427 119.914 0.198 0.000 2.709 245 V HA 0.868 4.988 4.120 -0.000 0.000 0.308 245 V C -1.224 174.933 176.094 0.106 0.000 1.062 245 V CA -0.790 61.593 62.300 0.137 0.000 0.901 245 V CB 1.675 33.433 31.823 -0.109 0.000 1.003 245 V HN 1.061 nan 8.190 nan 0.000 0.425 246 A N 8.284 131.027 122.820 -0.128 0.000 2.291 246 A HA 0.915 5.235 4.320 -0.000 0.000 0.311 246 A C -2.864 174.612 177.584 -0.181 0.000 1.224 246 A CA -1.870 49.931 52.037 -0.393 0.000 0.821 246 A CB 1.270 19.576 19.000 -1.157 0.000 1.172 246 A HN 0.661 nan 8.150 nan 0.000 0.494 247 P HA 0.252 nan 4.420 nan 0.000 0.268 247 P C -0.600 176.570 177.300 -0.216 0.000 1.205 247 P CA 0.539 63.581 63.100 -0.097 0.000 0.771 247 P CB 0.446 32.159 31.700 0.023 0.000 0.858 248 M N 1.684 121.073 119.600 -0.352 0.000 2.395 248 M HA 0.281 4.761 4.480 -0.000 0.000 0.307 248 M C -0.063 176.000 176.300 -0.395 0.000 1.091 248 M CA -0.529 54.578 55.300 -0.321 0.000 0.919 248 M CB 1.719 34.109 32.600 -0.350 0.000 1.662 248 M HN 0.321 nan 8.290 nan 0.000 0.440 249 C N 2.174 121.213 119.300 -0.435 0.000 4.268 249 C HA -0.136 4.324 4.460 -0.000 0.000 0.299 249 C C 0.888 175.440 174.990 -0.731 0.000 1.429 249 C CA 0.399 58.869 59.018 -0.913 0.000 2.018 249 C CB -3.114 24.027 27.740 -0.998 0.000 1.277 249 C HN 0.929 nan 8.230 nan 0.000 0.767 250 A N 1.020 123.657 122.820 -0.305 0.000 2.409 250 A HA 0.529 4.849 4.320 -0.000 0.000 0.267 250 A C 0.327 177.823 177.584 -0.148 0.000 1.127 250 A CA 0.452 52.354 52.037 -0.225 0.000 0.795 250 A CB 0.339 19.324 19.000 -0.025 0.000 1.061 250 A HN 0.854 nan 8.150 nan 0.000 0.502 251 E N 1.821 121.773 120.200 -0.413 0.000 2.356 251 E HA 0.662 5.012 4.350 -0.000 0.000 0.275 251 E C -1.985 174.218 176.600 -0.661 0.000 0.904 251 E CA -0.720 55.486 56.400 -0.323 0.000 0.757 251 E CB 1.304 30.994 29.700 -0.016 0.000 1.232 251 E HN 0.515 nan 8.360 nan 0.000 0.442 252 Y N 1.067 121.232 120.300 -0.226 0.000 2.442 252 Y HA 0.468 5.018 4.550 -0.000 0.000 0.344 252 Y C -0.544 175.165 175.900 -0.318 0.000 0.976 252 Y CA -0.928 56.936 58.100 -0.392 0.000 1.040 252 Y CB 2.276 40.211 38.460 -0.874 0.000 1.228 252 Y HN 0.551 nan 8.280 nan 0.000 0.451 253 N N 0.161 118.861 118.700 0.000 0.000 2.362 253 N HA 0.655 5.395 4.740 -0.000 0.000 0.299 253 N C -0.581 175.084 175.510 0.259 0.000 1.170 253 N CA -0.130 52.982 53.050 0.103 0.000 0.825 253 N CB 1.941 40.453 38.487 0.042 0.000 1.299 253 N HN 0.898 nan 8.380 nan 0.000 0.502 254 G N 0.598 109.561 108.800 0.272 0.000 2.587 254 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.245 254 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.245 254 G C -0.900 174.174 174.900 0.290 0.000 0.959 254 G CA -0.359 44.920 45.100 0.298 0.000 1.268 254 G HN 0.460 nan 8.290 nan 0.000 0.448 255 L N 2.818 124.143 121.223 0.171 0.000 2.317 255 L HA 0.907 5.247 4.340 -0.000 0.000 0.281 255 L C 0.887 177.747 176.870 -0.017 0.000 1.024 255 L CA -1.159 53.667 54.840 -0.023 0.000 0.810 255 L CB 0.803 42.824 42.059 -0.063 0.000 1.240 255 L HN 0.866 nan 8.230 nan 0.000 0.427 256 R N 4.401 124.876 120.500 -0.042 0.000 2.936 256 R HA 0.410 4.750 4.340 -0.000 0.000 0.095 256 R C -0.879 175.416 176.300 -0.008 0.000 0.565 256 R CA -0.439 55.644 56.100 -0.027 0.000 0.363 256 R CB -0.168 30.108 30.300 -0.040 0.000 0.398 256 R HN 0.569 nan 8.270 nan 0.000 0.321 257 L N -0.643 120.532 121.223 -0.081 0.000 2.488 257 L HA 0.836 5.176 4.340 -0.000 0.000 0.249 257 L C 0.526 177.110 176.870 -0.477 0.000 1.151 257 L CA -0.946 53.807 54.840 -0.145 0.000 0.806 257 L CB 0.340 42.312 42.059 -0.147 0.000 1.261 257 L HN 0.628 nan 8.230 nan 0.000 0.484 258 A N 0.029 122.380 122.820 -0.781 0.000 2.566 258 A HA 0.451 4.771 4.320 -0.000 0.000 0.245 258 A C 0.451 177.318 177.584 -1.195 0.000 1.056 258 A CA 0.520 51.699 52.037 -1.430 0.000 0.757 258 A CB -1.103 17.296 19.000 -1.001 0.000 0.979 258 A HN 0.970 nan 8.150 nan 0.000 0.508 259 G N 0.812 108.744 108.800 -1.447 0.000 2.470 259 G HA2 0.576 4.536 3.960 -0.000 0.000 0.320 259 G HA3 0.576 4.536 3.960 -0.000 0.000 0.320 259 G C -0.100 174.522 174.900 -0.463 0.000 1.245 259 G CA -0.283 44.419 45.100 -0.662 0.000 0.935 259 G HN 0.775 nan 8.290 nan 0.000 0.476 260 H N 0.185 119.103 119.070 -0.253 0.000 2.129 260 H HA 0.252 4.808 4.556 -0.000 0.000 0.165 260 H C 0.398 175.620 175.328 -0.178 0.000 0.928 260 H CA 0.451 56.344 56.048 -0.258 0.000 0.904 260 H CB 1.284 30.928 29.762 -0.196 0.000 0.940 260 H HN 0.482 nan 8.280 nan 0.000 0.394 261 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 261 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 261 Q CA 0.000 55.781 55.803 -0.037 0.000 1.022 261 Q CB 0.000 28.714 28.738 -0.040 0.000 1.108 261 Q HN 0.000 nan 8.270 nan 0.000 0.481