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 2vt5_1_D DATA FIRST_RESID 9 DATA SEQUENCE DVNTLTRFVM EEGRKARGTG ELTQLLNSLC TAVKAISSAV RKAGIAHLYG DATA SEQUENCE IAGXXXXXXX XXXKLDVLSN DLVMNMLKSS FATCVLVSEE DKHAIIVEPE DATA SEQUENCE KRGKYVVCFD PLDGSSNIDC LVSVGTIFGI YRKKSTDEPS EKDALQPGRN DATA SEQUENCE LVAAGYALYG SATMLVLAMD CGVNCFMLDP AIGEFILVDK DVKIKKKGKI DATA SEQUENCE YSLNEGYAKD FDPAVTEYIQ RKKFPPDNSA PYGARYVGSM VADVHRTLVY DATA SEQUENCE GGIFLYPANK KSPNGKLRLL YECNPMAYVM EKAGGMATTG KEAVLDVIPT DATA SEQUENCE DIHQRAPVIL GSPDDVLEFL KVYEKHSA 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.318 176.300 0.031 0.000 2.045 9 D CA 0.000 54.014 54.000 0.024 0.000 0.868 9 D CB 0.000 40.817 40.800 0.029 0.000 0.688 10 V N 2.839 122.771 119.914 0.030 0.000 2.843 10 V HA 0.206 4.326 4.120 -0.000 0.000 0.305 10 V C -0.308 175.824 176.094 0.064 0.000 1.120 10 V CA 0.742 63.065 62.300 0.038 0.000 1.254 10 V CB 0.632 32.476 31.823 0.035 0.000 0.901 10 V HN 0.622 nan 8.190 nan 0.000 0.503 11 N N 2.262 121.012 118.700 0.082 0.000 2.277 11 N HA 0.595 5.335 4.740 -0.000 0.000 0.286 11 N C -0.811 174.812 175.510 0.189 0.000 1.140 11 N CA 0.043 53.177 53.050 0.140 0.000 0.799 11 N CB 2.562 41.151 38.487 0.170 0.000 1.596 11 N HN 0.913 nan 8.380 nan 0.000 0.473 12 T N -0.799 113.892 114.554 0.228 0.000 2.942 12 T HA 0.340 4.690 4.350 -0.000 0.000 0.289 12 T C 1.130 175.993 174.700 0.272 0.000 1.044 12 T CA -0.671 61.574 62.100 0.242 0.000 1.023 12 T CB 1.248 70.202 68.868 0.144 0.000 1.123 12 T HN 0.212 nan 8.240 nan 0.000 0.512 13 L N 1.193 122.461 121.223 0.074 0.000 2.046 13 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 13 L C 2.405 179.218 176.870 -0.095 0.000 1.077 13 L CA 2.179 56.780 54.840 -0.399 0.000 0.747 13 L CB -1.726 39.847 42.059 -0.810 0.000 0.896 13 L HN 0.961 nan 8.230 nan 0.000 0.432 14 T N -0.146 114.397 114.554 -0.018 0.000 2.643 14 T HA -0.205 4.145 4.350 -0.000 0.000 0.264 14 T C 1.976 176.705 174.700 0.049 0.000 1.045 14 T CA 1.611 63.712 62.100 0.002 0.000 1.155 14 T CB -0.270 68.602 68.868 0.006 0.000 0.863 14 T HN 0.352 nan 8.240 nan 0.000 0.420 15 R N -0.120 120.430 120.500 0.084 0.000 2.103 15 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 15 R C 2.274 178.648 176.300 0.123 0.000 1.142 15 R CA 1.612 57.766 56.100 0.090 0.000 0.960 15 R CB -0.532 29.828 30.300 0.100 0.000 0.858 15 R HN 0.437 nan 8.270 nan 0.000 0.439 16 F N 0.586 120.575 119.950 0.065 0.000 2.102 16 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 16 F C 1.979 177.810 175.800 0.052 0.000 1.105 16 F CA 1.499 59.559 58.000 0.100 0.000 1.239 16 F CB -0.281 38.871 39.000 0.255 0.000 0.991 16 F HN -0.194 nan 8.300 nan 0.000 0.474 17 V N 0.489 120.460 119.914 0.096 0.000 2.515 17 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 17 V C 2.429 178.459 176.094 -0.107 0.000 1.058 17 V CA 2.042 64.322 62.300 -0.034 0.000 1.064 17 V CB -0.534 31.293 31.823 0.007 0.000 0.675 17 V HN 0.447 nan 8.190 nan 0.000 0.461 18 M N -0.292 119.268 119.600 -0.067 0.000 2.200 18 M HA -0.147 4.333 4.480 -0.000 0.000 0.265 18 M C 2.253 178.502 176.300 -0.085 0.000 1.066 18 M CA 1.767 57.031 55.300 -0.059 0.000 1.127 18 M CB -0.124 32.460 32.600 -0.027 0.000 1.379 18 M HN 0.397 nan 8.290 nan 0.000 0.420 19 E N 0.712 120.838 120.200 -0.123 0.000 2.077 19 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 19 E C 1.661 178.154 176.600 -0.178 0.000 0.989 19 E CA 1.582 57.898 56.400 -0.141 0.000 0.800 19 E CB -0.107 29.500 29.700 -0.154 0.000 0.746 19 E HN 0.342 nan 8.360 nan 0.000 0.452 20 E N -0.134 119.902 120.200 -0.273 0.000 2.110 20 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 20 E C 2.076 178.608 176.600 -0.113 0.000 0.988 20 E CA 1.169 57.436 56.400 -0.222 0.000 0.804 20 E CB -0.691 28.844 29.700 -0.276 0.000 0.745 20 E HN 0.473 nan 8.360 nan 0.000 0.458 21 G N 1.117 109.861 108.800 -0.092 0.000 2.402 21 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 21 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 21 G C 1.739 176.618 174.900 -0.035 0.000 1.162 21 G CA 0.554 45.626 45.100 -0.046 0.000 0.777 21 G HN 0.193 nan 8.290 nan 0.000 0.539 22 R N 0.241 120.715 120.500 -0.044 0.000 2.075 22 R HA 0.069 4.409 4.340 -0.000 0.000 0.232 22 R C 2.623 178.905 176.300 -0.031 0.000 1.126 22 R CA 1.105 57.186 56.100 -0.032 0.000 0.963 22 R CB -0.232 30.048 30.300 -0.033 0.000 0.858 22 R HN 0.224 nan 8.270 nan 0.000 0.435 23 K N 0.487 120.860 120.400 -0.044 0.000 2.034 23 K HA -0.173 4.147 4.320 -0.000 0.000 0.214 23 K C 1.937 178.523 176.600 -0.023 0.000 1.051 23 K CA 1.793 58.057 56.287 -0.037 0.000 0.931 23 K CB -0.236 32.232 32.500 -0.053 0.000 0.715 23 K HN 0.176 nan 8.250 nan 0.000 0.446 24 A N 0.738 123.545 122.820 -0.022 0.000 2.235 24 A HA -0.027 4.293 4.320 -0.000 0.000 0.208 24 A C 0.139 177.724 177.584 0.001 0.000 1.172 24 A CA 0.242 52.276 52.037 -0.005 0.000 0.786 24 A CB -0.272 18.728 19.000 0.001 0.000 0.804 24 A HN 0.370 nan 8.150 nan 0.000 0.479 25 R N -1.370 119.128 120.500 -0.004 0.000 3.333 25 R HA -0.167 4.173 4.340 -0.000 0.000 0.256 25 R C 0.617 176.921 176.300 0.007 0.000 1.010 25 R CA 0.298 56.398 56.100 -0.000 0.000 0.680 25 R CB -2.246 28.055 30.300 0.001 0.000 1.102 25 R HN 0.630 nan 8.270 nan 0.000 0.440 26 G N -0.558 108.248 108.800 0.009 0.000 2.504 26 G HA2 0.276 4.236 3.960 -0.000 0.000 0.288 26 G HA3 0.276 4.236 3.960 -0.000 0.000 0.288 26 G C 1.186 176.098 174.900 0.021 0.000 1.182 26 G CA 0.075 45.189 45.100 0.023 0.000 0.894 26 G HN 0.237 nan 8.290 nan 0.000 0.521 27 T N -3.021 111.552 114.554 0.032 0.000 2.985 27 T HA 0.277 4.627 4.350 -0.000 0.000 0.266 27 T C 1.796 176.513 174.700 0.028 0.000 1.076 27 T CA 1.276 63.392 62.100 0.026 0.000 1.135 27 T CB 0.035 68.920 68.868 0.029 0.000 0.890 27 T HN 2.070 nan 8.240 nan 0.000 0.480 28 G N 0.650 109.474 108.800 0.040 0.000 2.184 28 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.206 28 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.206 28 G C 0.670 175.602 174.900 0.054 0.000 0.995 28 G CA 0.335 45.454 45.100 0.032 0.000 0.651 28 G HN 0.485 nan 8.290 nan 0.000 0.511 29 E N -0.606 119.658 120.200 0.106 0.000 2.085 29 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 29 E C 2.500 179.183 176.600 0.139 0.000 0.994 29 E CA 1.489 57.991 56.400 0.171 0.000 0.801 29 E CB -0.057 29.804 29.700 0.269 0.000 0.743 29 E HN 0.486 nan 8.360 nan 0.000 0.453 30 L N 0.718 121.995 121.223 0.089 0.000 2.093 30 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 30 L C 2.220 179.006 176.870 -0.141 0.000 1.085 30 L CA 1.827 56.556 54.840 -0.184 0.000 0.755 30 L CB -0.689 41.242 42.059 -0.213 0.000 0.904 30 L HN -0.007 nan 8.230 nan 0.000 0.435 31 T N -0.803 113.712 114.554 -0.066 0.000 2.788 31 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 31 T C 1.847 176.509 174.700 -0.063 0.000 1.044 31 T CA 1.711 63.772 62.100 -0.065 0.000 1.139 31 T CB -0.104 68.742 68.868 -0.037 0.000 0.867 31 T HN 0.449 nan 8.240 nan 0.000 0.454 32 Q N 0.045 119.827 119.800 -0.030 0.000 2.079 32 Q HA 0.014 4.354 4.340 -0.000 0.000 0.200 32 Q C 2.331 178.303 176.000 -0.046 0.000 0.974 32 Q CA 1.023 56.818 55.803 -0.014 0.000 0.840 32 Q CB -0.268 28.492 28.738 0.037 0.000 0.898 32 Q HN 0.455 nan 8.270 nan 0.000 0.430 33 L N 0.290 121.470 121.223 -0.071 0.000 2.012 33 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 33 L C 2.021 178.770 176.870 -0.201 0.000 1.073 33 L CA 1.234 55.997 54.840 -0.129 0.000 0.748 33 L CB -0.091 41.858 42.059 -0.183 0.000 0.891 33 L HN 0.281 nan 8.230 nan 0.000 0.431 34 L N -0.545 120.550 121.223 -0.214 0.000 2.109 34 L HA -0.183 4.156 4.340 -0.000 0.000 0.207 34 L C 2.179 178.908 176.870 -0.235 0.000 1.086 34 L CA 1.465 56.144 54.840 -0.268 0.000 0.760 34 L CB -0.635 41.281 42.059 -0.238 0.000 0.910 34 L HN 0.387 nan 8.230 nan 0.000 0.437 35 N N -0.603 118.005 118.700 -0.154 0.000 2.043 35 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 35 N C 1.919 177.367 175.510 -0.104 0.000 1.037 35 N CA 1.532 54.518 53.050 -0.107 0.000 0.851 35 N CB -0.073 38.379 38.487 -0.060 0.000 1.027 35 N HN 0.170 nan 8.380 nan 0.000 0.422 36 S N 1.093 116.729 115.700 -0.106 0.000 2.365 36 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 36 S C 1.902 176.410 174.600 -0.154 0.000 1.039 36 S CA 0.857 58.993 58.200 -0.106 0.000 1.033 36 S CB -0.395 62.746 63.200 -0.098 0.000 0.887 36 S HN 0.215 nan 8.310 nan 0.000 0.447 37 L N 1.463 122.545 121.223 -0.236 0.000 2.046 37 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 37 L C 2.572 179.288 176.870 -0.257 0.000 1.077 37 L CA 1.613 56.257 54.840 -0.326 0.000 0.747 37 L CB -1.119 40.623 42.059 -0.527 0.000 0.896 37 L HN 0.535 nan 8.230 nan 0.000 0.432 38 C N -1.015 118.147 119.300 -0.230 0.000 2.413 38 C HA -0.208 4.252 4.460 -0.000 0.000 0.276 38 C C 2.733 177.769 174.990 0.076 0.000 1.236 38 C CA 1.728 60.679 59.018 -0.112 0.000 1.735 38 C CB -1.139 26.530 27.740 -0.118 0.000 2.031 38 C HN 0.658 nan 8.230 nan 0.000 0.474 39 T N 1.072 115.633 114.554 0.011 0.000 2.720 39 T HA -0.124 4.225 4.350 -0.000 0.000 0.268 39 T C 2.122 176.825 174.700 0.006 0.000 1.037 39 T CA 1.936 64.046 62.100 0.016 0.000 1.144 39 T CB -0.613 68.246 68.868 -0.015 0.000 0.864 39 T HN 0.758 nan 8.240 nan 0.000 0.444 40 A N 0.787 123.584 122.820 -0.039 0.000 1.902 40 A HA -0.044 4.275 4.320 -0.000 0.000 0.217 40 A C 2.591 180.184 177.584 0.014 0.000 1.181 40 A CA 1.322 53.330 52.037 -0.048 0.000 0.623 40 A CB -0.975 17.951 19.000 -0.123 0.000 0.818 40 A HN 0.363 nan 8.150 nan 0.000 0.443 41 V N 0.088 120.042 119.914 0.066 0.000 2.427 41 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 41 V C 2.412 178.668 176.094 0.271 0.000 1.051 41 V CA 2.241 64.669 62.300 0.213 0.000 1.048 41 V CB -0.585 31.359 31.823 0.202 0.000 0.666 41 V HN 0.539 nan 8.190 nan 0.000 0.456 42 K N 0.012 120.540 120.400 0.214 0.000 2.147 42 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 42 K C 2.182 178.804 176.600 0.036 0.000 1.049 42 K CA 1.418 57.768 56.287 0.105 0.000 0.936 42 K CB -0.262 32.260 32.500 0.036 0.000 0.722 42 K HN 0.501 nan 8.250 nan 0.000 0.446 43 A N 1.064 123.896 122.820 0.020 0.000 1.935 43 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 43 A C 2.028 179.582 177.584 -0.050 0.000 1.178 43 A CA 0.682 52.709 52.037 -0.018 0.000 0.640 43 A CB -0.311 18.676 19.000 -0.021 0.000 0.825 43 A HN 0.109 nan 8.150 nan 0.000 0.447 44 I N -0.620 119.913 120.570 -0.061 0.000 2.179 44 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 44 I C 2.827 178.752 176.117 -0.320 0.000 1.088 44 I CA 1.534 62.723 61.300 -0.185 0.000 1.357 44 I CB -0.365 37.523 38.000 -0.188 0.000 1.051 44 I HN 0.390 nan 8.210 nan 0.000 0.409 45 S N 0.073 115.644 115.700 -0.215 0.000 2.359 45 S HA -0.288 4.182 4.470 -0.000 0.000 0.223 45 S C 2.322 176.865 174.600 -0.095 0.000 1.039 45 S CA 2.266 60.386 58.200 -0.134 0.000 1.042 45 S CB -0.452 62.848 63.200 0.168 0.000 0.915 45 S HN 0.485 nan 8.310 nan 0.000 0.439 46 S N 0.635 116.301 115.700 -0.056 0.000 2.370 46 S HA -0.096 4.374 4.470 -0.000 0.000 0.226 46 S C 2.051 176.620 174.600 -0.052 0.000 1.033 46 S CA 1.662 59.837 58.200 -0.042 0.000 1.011 46 S CB -0.829 62.351 63.200 -0.033 0.000 0.852 46 S HN 0.701 nan 8.310 nan 0.000 0.457 47 A N 0.598 123.373 122.820 -0.076 0.000 1.873 47 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 47 A C 2.389 179.927 177.584 -0.077 0.000 1.186 47 A CA 1.691 53.687 52.037 -0.068 0.000 0.616 47 A CB -1.088 17.867 19.000 -0.075 0.000 0.823 47 A HN 0.452 nan 8.150 nan 0.000 0.442 48 V N -0.175 119.655 119.914 -0.139 0.000 2.343 48 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 48 V C 2.503 178.561 176.094 -0.060 0.000 1.051 48 V CA 2.246 64.465 62.300 -0.135 0.000 1.036 48 V CB -0.711 30.942 31.823 -0.283 0.000 0.654 48 V HN 0.479 nan 8.190 nan 0.000 0.451 49 R N -0.021 120.451 120.500 -0.046 0.000 2.323 49 R HA 0.084 4.424 4.340 -0.000 0.000 0.198 49 R C 0.739 177.033 176.300 -0.010 0.000 0.988 49 R CA 0.119 56.211 56.100 -0.013 0.000 1.041 49 R CB -0.121 30.178 30.300 -0.002 0.000 0.926 49 R HN 0.252 nan 8.270 nan 0.000 0.476 50 K N -1.811 118.581 120.400 -0.013 0.000 3.338 50 K HA -0.145 4.175 4.320 -0.000 0.000 0.292 50 K C -0.544 176.064 176.600 0.014 0.000 1.268 50 K CA 0.866 57.155 56.287 0.004 0.000 0.853 50 K CB -2.476 30.026 32.500 0.003 0.000 1.342 50 K HN 0.327 nan 8.250 nan 0.000 0.501 51 A N 0.292 123.117 122.820 0.008 0.000 2.546 51 A HA 0.439 4.759 4.320 -0.000 0.000 0.243 51 A C 1.603 179.212 177.584 0.041 0.000 1.063 51 A CA 1.422 53.469 52.037 0.018 0.000 0.757 51 A CB -0.034 18.968 19.000 0.004 0.000 0.991 51 A HN 1.244 nan 8.150 nan 0.000 0.503 52 G N 1.705 110.551 108.800 0.076 0.000 2.162 52 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 52 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 52 G C 0.861 175.863 174.900 0.171 0.000 0.976 52 G CA 0.436 45.625 45.100 0.148 0.000 0.655 52 G HN 1.116 nan 8.290 nan 0.000 0.533 53 I N 0.455 121.094 120.570 0.116 0.000 2.454 53 I HA -0.045 4.125 4.170 -0.000 0.000 0.254 53 I C 2.808 179.040 176.117 0.192 0.000 1.156 53 I CA 1.882 63.270 61.300 0.146 0.000 1.433 53 I CB -0.288 37.767 38.000 0.092 0.000 1.082 53 I HN 0.394 nan 8.210 nan 0.000 0.432 54 A N 0.198 123.081 122.820 0.104 0.000 1.948 54 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 54 A C 2.066 179.655 177.584 0.007 0.000 1.177 54 A CA 1.703 53.758 52.037 0.030 0.000 0.636 54 A CB -1.037 17.918 19.000 -0.075 0.000 0.815 54 A HN 0.579 nan 8.150 nan 0.000 0.449 55 H N -0.656 118.460 119.070 0.077 0.000 2.491 55 H HA 0.004 4.560 4.556 -0.000 0.000 0.290 55 H C 1.796 177.148 175.328 0.040 0.000 1.050 55 H CA 1.491 57.569 56.048 0.049 0.000 1.309 55 H CB -0.044 29.734 29.762 0.027 0.000 1.392 55 H HN 0.462 nan 8.280 nan 0.000 0.554 56 L N -0.627 120.693 121.223 0.163 0.000 2.341 56 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 56 L C 1.203 177.980 176.870 -0.154 0.000 1.115 56 L CA 0.632 55.485 54.840 0.022 0.000 0.820 56 L CB -0.146 41.933 42.059 0.033 0.000 0.944 56 L HN 0.127 nan 8.230 nan 0.000 0.452 57 Y N -0.020 120.281 120.300 0.002 0.000 2.493 57 Y HA 0.328 4.878 4.550 -0.000 0.000 0.275 57 Y C 1.568 177.454 175.900 -0.023 0.000 1.183 57 Y CA 0.159 58.253 58.100 -0.011 0.000 1.258 57 Y CB 0.339 38.790 38.460 -0.015 0.000 1.108 57 Y HN 0.176 nan 8.280 nan 0.000 0.521 58 G N 0.392 109.216 108.800 0.040 0.000 2.132 58 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.228 58 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.228 58 G C 1.145 176.037 174.900 -0.013 0.000 1.000 58 G CA 0.392 45.496 45.100 0.008 0.000 0.693 58 G HN 0.520 nan 8.290 nan 0.000 0.515 59 I N 0.071 120.606 120.570 -0.059 0.000 2.248 59 I HA -0.036 4.134 4.170 -0.000 0.000 0.248 59 I C 2.308 178.368 176.117 -0.096 0.000 1.107 59 I CA 2.241 63.472 61.300 -0.115 0.000 1.373 59 I CB 0.024 37.882 38.000 -0.238 0.000 1.055 59 I HN 0.469 nan 8.210 nan 0.000 0.418 60 A N 0.559 123.334 122.820 -0.074 0.000 2.507 60 A HA 0.523 4.843 4.320 -0.000 0.000 0.270 60 A C 0.777 178.370 177.584 0.014 0.000 1.318 60 A CA 0.365 52.400 52.037 -0.003 0.000 0.924 60 A CB -0.763 18.283 19.000 0.076 0.000 1.061 60 A HN 0.657 nan 8.150 nan 0.000 0.516 73 L N 3.607 124.832 121.223 0.002 0.000 2.141 73 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 73 L C 1.904 178.772 176.870 -0.002 0.000 1.094 73 L CA 2.326 57.162 54.840 -0.007 0.000 0.763 73 L CB -0.480 41.571 42.059 -0.013 0.000 0.908 73 L HN 0.326 nan 8.230 nan 0.000 0.437 74 D N -1.730 118.677 120.400 0.011 0.000 2.149 74 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 74 D C 2.002 178.318 176.300 0.026 0.000 0.972 74 D CA 1.144 55.158 54.000 0.024 0.000 0.835 74 D CB -0.659 40.157 40.800 0.026 0.000 0.966 74 D HN 0.212 nan 8.370 nan 0.000 0.476 75 V N 0.778 120.701 119.914 0.016 0.000 2.307 75 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 75 V C 2.663 178.767 176.094 0.017 0.000 1.045 75 V CA 1.306 63.615 62.300 0.015 0.000 1.024 75 V CB -0.684 31.143 31.823 0.007 0.000 0.651 75 V HN 0.151 nan 8.190 nan 0.000 0.449 76 L N 0.405 121.632 121.223 0.007 0.000 1.990 76 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 76 L C 2.564 179.435 176.870 0.002 0.000 1.072 76 L CA 2.427 57.266 54.840 -0.001 0.000 0.755 76 L CB -0.914 41.138 42.059 -0.013 0.000 0.889 76 L HN 0.302 nan 8.230 nan 0.000 0.432 77 S N -0.209 115.494 115.700 0.005 0.000 2.374 77 S HA -0.267 4.203 4.470 -0.000 0.000 0.227 77 S C 1.826 176.460 174.600 0.057 0.000 1.037 77 S CA 1.728 59.938 58.200 0.017 0.000 1.024 77 S CB -0.743 62.477 63.200 0.033 0.000 0.861 77 S HN 0.639 nan 8.310 nan 0.000 0.456 78 N N 1.297 120.051 118.700 0.089 0.000 2.084 78 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 78 N C 1.163 176.739 175.510 0.110 0.000 1.030 78 N CA 1.600 54.746 53.050 0.159 0.000 0.849 78 N CB -0.267 38.291 38.487 0.117 0.000 1.012 78 N HN 0.211 nan 8.380 nan 0.000 0.423 79 D N -0.028 120.403 120.400 0.051 0.000 2.144 79 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 79 D C 2.005 178.302 176.300 -0.005 0.000 0.984 79 D CA 0.604 54.619 54.000 0.024 0.000 0.834 79 D CB -0.257 40.549 40.800 0.010 0.000 0.955 79 D HN 0.333 nan 8.370 nan 0.000 0.465 80 L N 0.280 121.491 121.223 -0.019 0.000 2.017 80 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 80 L C 2.549 179.361 176.870 -0.097 0.000 1.073 80 L CA 0.706 55.517 54.840 -0.048 0.000 0.745 80 L CB -0.329 41.704 42.059 -0.044 0.000 0.894 80 L HN -0.060 nan 8.230 nan 0.000 0.432 81 V N -0.887 118.940 119.914 -0.145 0.000 2.270 81 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 81 V C 2.573 178.493 176.094 -0.289 0.000 1.043 81 V CA 1.508 63.601 62.300 -0.346 0.000 1.014 81 V CB -0.453 30.939 31.823 -0.718 0.000 0.645 81 V HN 0.343 nan 8.190 nan 0.000 0.447 82 M N 0.325 119.871 119.600 -0.090 0.000 2.065 82 M HA -0.212 4.268 4.480 -0.000 0.000 0.259 82 M C 2.177 178.459 176.300 -0.030 0.000 1.069 82 M CA 2.217 57.537 55.300 0.033 0.000 1.110 82 M CB -1.643 31.029 32.600 0.119 0.000 1.328 82 M HN 0.506 nan 8.290 nan 0.000 0.405 83 N N -0.100 118.576 118.700 -0.041 0.000 2.120 83 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 83 N C 1.561 177.026 175.510 -0.075 0.000 1.024 83 N CA 1.410 54.429 53.050 -0.051 0.000 0.852 83 N CB 0.065 38.529 38.487 -0.039 0.000 1.003 83 N HN 0.095 nan 8.380 nan 0.000 0.424 84 M N 0.052 119.597 119.600 -0.091 0.000 2.175 84 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 84 M C 1.922 178.157 176.300 -0.109 0.000 1.063 84 M CA 0.971 56.214 55.300 -0.096 0.000 1.119 84 M CB -0.994 31.540 32.600 -0.110 0.000 1.377 84 M HN 0.270 nan 8.290 nan 0.000 0.415 85 L N -0.423 120.722 121.223 -0.130 0.000 2.044 85 L HA -0.217 4.123 4.340 -0.000 0.000 0.205 85 L C 2.472 179.288 176.870 -0.090 0.000 1.075 85 L CA 1.158 55.931 54.840 -0.112 0.000 0.747 85 L CB -0.603 41.384 42.059 -0.120 0.000 0.903 85 L HN 0.273 nan 8.230 nan 0.000 0.435 86 K N 0.316 120.660 120.400 -0.093 0.000 2.034 86 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 86 K C 2.099 178.541 176.600 -0.263 0.000 1.051 86 K CA 2.069 58.272 56.287 -0.140 0.000 0.931 86 K CB -0.370 32.061 32.500 -0.115 0.000 0.715 86 K HN 0.360 nan 8.250 nan 0.000 0.446 87 S N 0.558 116.126 115.700 -0.220 0.000 2.603 87 S HA -0.066 4.404 4.470 -0.000 0.000 0.229 87 S C 1.808 176.333 174.600 -0.126 0.000 0.972 87 S CA 1.012 59.058 58.200 -0.257 0.000 0.935 87 S CB -0.222 62.916 63.200 -0.104 0.000 0.769 87 S HN 0.308 nan 8.310 nan 0.000 0.536 88 S N 0.833 116.490 115.700 -0.073 0.000 2.481 88 S HA 0.058 4.528 4.470 -0.000 0.000 0.231 88 S C 0.725 175.460 174.600 0.224 0.000 0.996 88 S CA 0.164 58.402 58.200 0.063 0.000 0.942 88 S CB -1.238 61.965 63.200 0.006 0.000 0.768 88 S HN 0.533 nan 8.310 nan 0.000 0.520 89 F N -0.162 119.794 119.950 0.011 0.000 3.069 89 F HA -0.290 4.236 4.527 -0.000 0.000 0.285 89 F C 1.324 177.149 175.800 0.041 0.000 0.827 89 F CA 0.430 58.443 58.000 0.021 0.000 1.108 89 F CB -1.733 37.275 39.000 0.013 0.000 1.252 89 F HN 0.439 nan 8.300 nan 0.000 0.483 90 A N -1.213 121.705 122.820 0.163 0.000 2.469 90 A HA 0.465 4.785 4.320 -0.000 0.000 0.245 90 A C 0.965 178.680 177.584 0.219 0.000 1.221 90 A CA 0.802 52.960 52.037 0.201 0.000 0.946 90 A CB 0.251 19.359 19.000 0.180 0.000 1.049 90 A HN 0.396 nan 8.150 nan 0.000 0.529 91 T N -4.294 110.334 114.554 0.123 0.000 2.916 91 T HA 0.470 4.820 4.350 -0.000 0.000 0.292 91 T C 0.519 175.259 174.700 0.067 0.000 1.064 91 T CA 0.005 62.176 62.100 0.118 0.000 1.011 91 T CB 1.487 70.411 68.868 0.094 0.000 1.152 91 T HN 0.712 nan 8.240 nan 0.000 0.510 92 C N 0.053 119.395 119.300 0.070 0.000 3.721 92 C HA 0.649 5.109 4.460 -0.000 0.000 0.562 92 C C -0.170 174.846 174.990 0.044 0.000 1.399 92 C CA -0.268 58.775 59.018 0.041 0.000 2.478 92 C CB -0.487 27.270 27.740 0.028 0.000 3.668 92 C HN 0.689 nan 8.230 nan 0.000 0.565 93 V N 2.421 122.375 119.914 0.067 0.000 2.638 93 V HA 0.590 4.710 4.120 -0.000 0.000 0.306 93 V C -0.945 175.209 176.094 0.100 0.000 1.052 93 V CA -0.190 62.150 62.300 0.065 0.000 0.885 93 V CB 1.767 33.617 31.823 0.045 0.000 0.999 93 V HN 0.394 nan 8.190 nan 0.000 0.424 94 L N 4.951 126.231 121.223 0.094 0.000 2.376 94 L HA 0.691 5.031 4.340 -0.000 0.000 0.275 94 L C -0.851 176.039 176.870 0.034 0.000 0.987 94 L CA -0.746 54.179 54.840 0.142 0.000 0.828 94 L CB 2.127 44.312 42.059 0.210 0.000 1.249 94 L HN 0.355 nan 8.230 nan 0.000 0.409 95 V N 1.946 121.841 119.914 -0.032 0.000 2.417 95 V HA 0.531 4.651 4.120 -0.000 0.000 0.291 95 V C -0.088 175.668 176.094 -0.563 0.000 1.024 95 V CA -0.263 61.928 62.300 -0.181 0.000 0.861 95 V CB 1.835 33.622 31.823 -0.061 0.000 0.985 95 V HN 0.799 nan 8.190 nan 0.000 0.436 96 S N 2.491 117.787 115.700 -0.673 0.000 2.526 96 S HA 0.343 4.813 4.470 -0.000 0.000 0.293 96 S C 0.796 174.929 174.600 -0.778 0.000 1.092 96 S CA -0.508 57.060 58.200 -1.054 0.000 0.980 96 S CB 1.918 64.556 63.200 -0.937 0.000 1.048 96 S HN 0.836 nan 8.310 nan 0.000 0.483 97 E N 1.898 121.484 120.200 -1.024 0.000 2.171 97 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 97 E C 0.784 177.222 176.600 -0.270 0.000 0.997 97 E CA 1.396 57.397 56.400 -0.665 0.000 0.810 97 E CB 0.112 29.590 29.700 -0.369 0.000 0.738 97 E HN 0.668 nan 8.360 nan 0.000 0.467 98 E N 0.575 120.631 120.200 -0.241 0.000 2.435 98 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 98 E C -0.240 176.291 176.600 -0.116 0.000 1.029 98 E CA 0.332 56.653 56.400 -0.133 0.000 0.865 98 E CB 0.194 29.850 29.700 -0.074 0.000 0.833 98 E HN 0.229 nan 8.360 nan 0.000 0.510 99 D N 0.362 120.693 120.400 -0.115 0.000 2.408 99 D HA 0.051 4.691 4.640 -0.000 0.000 0.243 99 D C 0.914 177.215 176.300 0.002 0.000 1.075 99 D CA -0.255 53.709 54.000 -0.060 0.000 0.832 99 D CB 2.226 42.999 40.800 -0.046 0.000 1.162 99 D HN -0.182 nan 8.370 nan 0.000 0.515 100 K N 1.802 122.140 120.400 -0.104 0.000 2.020 100 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 100 K C 0.468 176.956 176.600 -0.186 0.000 1.050 100 K CA 1.583 57.731 56.287 -0.231 0.000 0.929 100 K CB 0.080 32.324 32.500 -0.426 0.000 0.714 100 K HN 0.462 nan 8.250 nan 0.000 0.443 101 H N -1.117 118.013 119.070 0.100 0.000 2.567 101 H HA 0.495 5.051 4.556 -0.000 0.000 0.345 101 H C -0.649 174.692 175.328 0.022 0.000 1.169 101 H CA -0.605 55.478 56.048 0.059 0.000 1.227 101 H CB 1.368 31.148 29.762 0.031 0.000 1.607 101 H HN 0.320 nan 8.280 nan 0.000 0.534 102 A N 2.095 124.992 122.820 0.128 0.000 2.445 102 A HA 0.219 4.539 4.320 -0.000 0.000 0.242 102 A C 0.116 177.734 177.584 0.056 0.000 1.075 102 A CA -0.246 51.818 52.037 0.045 0.000 0.777 102 A CB -0.211 18.801 19.000 0.020 0.000 1.013 102 A HN 0.414 nan 8.150 nan 0.000 0.493 103 I N 3.458 124.051 120.570 0.038 0.000 2.315 103 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 103 I C -0.110 176.029 176.117 0.036 0.000 1.006 103 I CA -0.730 60.595 61.300 0.041 0.000 1.265 103 I CB 0.718 38.747 38.000 0.048 0.000 1.387 103 I HN 0.315 nan 8.210 nan 0.000 0.475 104 I N 7.116 127.701 120.570 0.025 0.000 2.315 104 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 104 I C 0.443 176.566 176.117 0.010 0.000 1.006 104 I CA -0.701 60.609 61.300 0.016 0.000 1.265 104 I CB 1.145 39.149 38.000 0.008 0.000 1.387 104 I HN 0.099 nan 8.210 nan 0.000 0.475 105 V N 6.620 126.538 119.914 0.007 0.000 2.673 105 V HA -0.029 4.090 4.120 -0.000 0.000 0.303 105 V C 1.002 177.086 176.094 -0.018 0.000 1.046 105 V CA -0.493 61.799 62.300 -0.014 0.000 1.126 105 V CB -0.098 31.711 31.823 -0.022 0.000 0.934 105 V HN 0.690 nan 8.190 nan 0.000 0.487 106 E N 6.134 126.317 120.200 -0.029 0.000 2.568 106 E HA -0.075 4.275 4.350 -0.000 0.000 0.262 106 E C -1.527 175.066 176.600 -0.012 0.000 0.961 106 E CA -0.735 55.653 56.400 -0.021 0.000 0.945 106 E CB 0.367 30.048 29.700 -0.031 0.000 0.924 106 E HN 0.500 nan 8.360 nan 0.000 0.467 107 P HA -0.252 nan 4.420 nan 0.000 0.216 107 P C 1.042 178.368 177.300 0.043 0.000 1.150 107 P CA 1.301 64.412 63.100 0.020 0.000 0.843 107 P CB 0.111 31.822 31.700 0.019 0.000 0.787 108 E N 0.310 120.541 120.200 0.052 0.000 2.418 108 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 108 E C 1.063 177.775 176.600 0.187 0.000 1.026 108 E CA 1.142 57.611 56.400 0.114 0.000 0.862 108 E CB -0.458 29.309 29.700 0.111 0.000 0.799 108 E HN 0.265 nan 8.360 nan 0.000 0.518 109 K N 0.361 120.773 120.400 0.020 0.000 2.387 109 K HA 0.224 4.544 4.320 -0.000 0.000 0.203 109 K C 0.183 176.732 176.600 -0.085 0.000 1.030 109 K CA -0.296 55.858 56.287 -0.222 0.000 1.099 109 K CB 0.742 32.986 32.500 -0.427 0.000 0.863 109 K HN -0.095 nan 8.250 nan 0.000 0.529 110 R N 0.303 120.825 120.500 0.037 0.000 2.438 110 R HA 0.239 4.579 4.340 -0.000 0.000 0.287 110 R C 0.357 176.708 176.300 0.086 0.000 1.077 110 R CA -0.066 56.060 56.100 0.043 0.000 1.034 110 R CB 1.177 31.496 30.300 0.033 0.000 0.993 110 R HN 0.136 nan 8.270 nan 0.000 0.459 111 G N 0.574 109.417 108.800 0.072 0.000 3.211 111 G HA2 0.193 4.153 3.960 -0.000 0.000 0.262 111 G HA3 0.193 4.153 3.960 -0.000 0.000 0.262 111 G C -0.164 174.740 174.900 0.006 0.000 1.352 111 G CA -0.685 44.460 45.100 0.075 0.000 1.004 111 G HN 0.619 nan 8.290 nan 0.000 0.559 112 K N -1.459 118.885 120.400 -0.092 0.000 2.426 112 K HA 0.214 4.534 4.320 -0.000 0.000 0.193 112 K C -0.583 175.810 176.600 -0.345 0.000 1.028 112 K CA 0.296 56.415 56.287 -0.280 0.000 1.047 112 K CB 0.022 32.260 32.500 -0.436 0.000 0.821 112 K HN 0.346 nan 8.250 nan 0.000 0.513 113 Y N 0.774 121.104 120.300 0.049 0.000 2.457 113 Y HA 0.399 4.949 4.550 0.000 0.000 0.333 113 Y C -0.102 175.848 175.900 0.082 0.000 1.119 113 Y CA -1.380 56.759 58.100 0.065 0.000 1.143 113 Y CB 1.792 40.282 38.460 0.051 0.000 1.230 113 Y HN -0.331 nan 8.280 nan 0.000 0.469 114 V N 3.505 123.602 119.914 0.304 0.000 2.398 114 V HA 0.467 4.587 4.120 -0.000 0.000 0.286 114 V C -0.663 175.609 176.094 0.296 0.000 1.026 114 V CA -0.864 61.584 62.300 0.248 0.000 0.868 114 V CB 1.348 33.295 31.823 0.206 0.000 0.982 114 V HN 0.520 nan 8.190 nan 0.000 0.443 115 V N 3.655 123.724 119.914 0.258 0.000 2.448 115 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 115 V C -0.204 176.098 176.094 0.347 0.000 1.025 115 V CA -0.495 61.981 62.300 0.293 0.000 0.859 115 V CB 1.621 33.591 31.823 0.245 0.000 0.988 115 V HN 0.955 nan 8.190 nan 0.000 0.431 116 C N 6.609 126.122 119.300 0.355 0.000 2.281 116 C HA 0.847 5.307 4.460 -0.000 0.000 0.325 116 C C -0.186 175.039 174.990 0.393 0.000 1.282 116 C CA -0.769 58.431 59.018 0.303 0.000 1.640 116 C CB -0.694 27.249 27.740 0.338 0.000 2.288 116 C HN 0.850 nan 8.230 nan 0.000 0.507 117 F N 0.664 120.707 119.950 0.155 0.000 2.631 117 F HA 0.689 5.216 4.527 0.000 0.000 0.308 117 F C -1.035 174.767 175.800 0.004 0.000 1.097 117 F CA -1.003 57.083 58.000 0.144 0.000 0.952 117 F CB 1.170 40.253 39.000 0.139 0.000 1.307 117 F HN 0.285 nan 8.300 nan 0.000 0.450 118 D N 3.516 124.095 120.400 0.298 0.000 2.461 118 D HA 0.391 5.031 4.640 -0.000 0.000 0.240 118 D C -1.999 174.493 176.300 0.319 0.000 1.094 118 D CA -2.518 51.588 54.000 0.177 0.000 0.868 118 D CB 2.217 43.164 40.800 0.246 0.000 1.062 118 D HN 0.288 nan 8.370 nan 0.000 0.530 119 P HA 0.002 nan 4.420 nan 0.000 0.220 119 P C 0.416 177.855 177.300 0.231 0.000 1.152 119 P CA 0.225 63.531 63.100 0.344 0.000 0.812 119 P CB 0.874 32.788 31.700 0.356 0.000 0.792 120 L N 0.300 121.631 121.223 0.179 0.000 2.480 120 L HA 0.402 4.742 4.340 -0.000 0.000 0.253 120 L C -1.042 175.910 176.870 0.138 0.000 1.324 120 L CA -0.905 54.031 54.840 0.160 0.000 0.916 120 L CB 0.389 42.504 42.059 0.094 0.000 1.160 120 L HN -0.306 nan 8.230 nan 0.000 0.503 121 D N 2.057 122.550 120.400 0.154 0.000 2.417 121 D HA 0.483 5.123 4.640 -0.000 0.000 0.250 121 D C 1.276 177.634 176.300 0.096 0.000 1.166 121 D CA 1.683 55.754 54.000 0.117 0.000 0.881 121 D CB 0.787 41.649 40.800 0.103 0.000 1.164 121 D HN 0.753 nan 8.370 nan 0.000 0.467 122 G N 2.324 111.173 108.800 0.081 0.000 2.176 122 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.232 122 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.232 122 G C 1.144 176.083 174.900 0.064 0.000 0.986 122 G CA 0.530 45.669 45.100 0.066 0.000 0.643 122 G HN 0.781 nan 8.290 nan 0.000 0.522 123 S N 0.050 115.791 115.700 0.067 0.000 2.537 123 S HA 0.119 4.589 4.470 -0.000 0.000 0.240 123 S C 2.098 176.727 174.600 0.048 0.000 0.981 123 S CA 1.753 59.986 58.200 0.054 0.000 0.948 123 S CB 0.011 63.241 63.200 0.049 0.000 0.759 123 S HN 0.698 nan 8.310 nan 0.000 0.531 124 S N 2.620 118.352 115.700 0.054 0.000 2.370 124 S HA -0.072 4.398 4.470 -0.000 0.000 0.226 124 S C 0.919 175.549 174.600 0.050 0.000 1.033 124 S CA 1.586 59.818 58.200 0.054 0.000 1.011 124 S CB -0.483 62.758 63.200 0.068 0.000 0.852 124 S HN 0.852 nan 8.310 nan 0.000 0.457 125 N N 0.037 118.766 118.700 0.048 0.000 2.328 125 N HA 0.352 5.092 4.740 -0.000 0.000 0.247 125 N C 0.756 176.287 175.510 0.036 0.000 1.165 125 N CA -0.073 53.002 53.050 0.042 0.000 0.873 125 N CB 0.374 38.885 38.487 0.040 0.000 1.125 125 N HN 0.268 nan 8.380 nan 0.000 0.513 126 I N 0.398 120.990 120.570 0.037 0.000 2.567 126 I HA -0.229 3.941 4.170 -0.000 0.000 0.257 126 I C 0.808 176.943 176.117 0.030 0.000 1.184 126 I CA 1.256 62.576 61.300 0.034 0.000 1.451 126 I CB 0.203 38.222 38.000 0.031 0.000 1.089 126 I HN 0.129 nan 8.210 nan 0.000 0.441 127 D N 0.121 120.540 120.400 0.031 0.000 2.221 127 D HA -0.196 4.444 4.640 -0.000 0.000 0.204 127 D C 2.041 178.356 176.300 0.025 0.000 0.982 127 D CA 1.504 55.522 54.000 0.030 0.000 0.857 127 D CB -0.356 40.463 40.800 0.032 0.000 0.934 127 D HN 0.614 nan 8.370 nan 0.000 0.475 128 C N -0.987 118.327 119.300 0.024 0.000 2.855 128 C HA 0.451 4.911 4.460 -0.000 0.000 0.279 128 C C 1.210 176.211 174.990 0.018 0.000 1.270 128 C CA -0.607 58.423 59.018 0.020 0.000 1.702 128 C CB -1.230 26.522 27.740 0.020 0.000 1.949 128 C HN 0.348 nan 8.230 nan 0.000 0.618 129 L N -0.416 120.820 121.223 0.021 0.000 3.898 129 L HA -0.145 4.195 4.340 -0.000 0.000 0.407 129 L C 0.532 177.417 176.870 0.027 0.000 1.207 129 L CA 0.305 55.159 54.840 0.023 0.000 0.931 129 L CB -2.272 39.797 42.059 0.017 0.000 2.014 129 L HN 0.495 nan 8.230 nan 0.000 0.858 130 V N 0.813 120.742 119.914 0.026 0.000 2.872 130 V HA 0.153 4.273 4.120 -0.000 0.000 0.307 130 V C 1.348 177.465 176.094 0.038 0.000 1.072 130 V CA 0.645 62.959 62.300 0.023 0.000 1.148 130 V CB 1.651 33.482 31.823 0.012 0.000 0.954 130 V HN 0.374 nan 8.190 nan 0.000 0.490 131 S N 4.890 120.612 115.700 0.036 0.000 2.642 131 S HA 0.196 4.666 4.470 -0.000 0.000 0.308 131 S C -0.141 174.500 174.600 0.068 0.000 1.255 131 S CA 0.321 58.554 58.200 0.055 0.000 1.057 131 S CB 0.317 63.535 63.200 0.029 0.000 0.785 131 S HN 1.141 nan 8.310 nan 0.000 0.500 132 V N 0.630 120.627 119.914 0.139 0.000 3.181 132 V HA 1.113 5.233 4.120 -0.000 0.000 0.314 132 V C 0.343 176.591 176.094 0.256 0.000 1.173 132 V CA -0.478 61.929 62.300 0.178 0.000 1.052 132 V CB 1.728 33.662 31.823 0.186 0.000 1.123 132 V HN 0.971 nan 8.190 nan 0.000 0.454 133 G N -0.736 108.217 108.800 0.255 0.000 2.623 133 G HA2 0.607 4.567 3.960 -0.000 0.000 0.290 133 G HA3 0.607 4.567 3.960 -0.000 0.000 0.290 133 G C -1.255 173.800 174.900 0.259 0.000 1.437 133 G CA -0.377 44.812 45.100 0.149 0.000 0.798 133 G HN 0.868 nan 8.290 nan 0.000 0.488 134 T N 0.834 115.517 114.554 0.215 0.000 2.807 134 T HA 0.641 4.990 4.350 -0.000 0.000 0.279 134 T C -0.141 174.719 174.700 0.267 0.000 0.993 134 T CA -0.119 62.151 62.100 0.283 0.000 0.970 134 T CB 1.012 70.073 68.868 0.322 0.000 0.950 134 T HN 0.432 nan 8.240 nan 0.000 0.441 135 I N 4.027 124.764 120.570 0.278 0.000 2.530 135 I HA 0.725 4.895 4.170 -0.000 0.000 0.297 135 I C -0.853 175.458 176.117 0.323 0.000 1.011 135 I CA -1.225 60.195 61.300 0.201 0.000 1.107 135 I CB 1.619 39.697 38.000 0.129 0.000 1.285 135 I HN 0.645 nan 8.210 nan 0.000 0.436 136 F N 2.170 122.212 119.950 0.152 0.000 2.619 136 F HA 0.920 5.447 4.527 -0.000 0.000 0.308 136 F C -0.490 175.342 175.800 0.055 0.000 1.097 136 F CA -0.922 57.163 58.000 0.141 0.000 0.953 136 F CB 1.637 40.674 39.000 0.060 0.000 1.287 136 F HN 0.448 nan 8.300 nan 0.000 0.446 137 G N 2.385 111.299 108.800 0.189 0.000 2.687 137 G HA2 0.667 4.627 3.960 -0.000 0.000 0.301 137 G HA3 0.667 4.627 3.960 -0.000 0.000 0.301 137 G C -1.893 172.990 174.900 -0.028 0.000 1.416 137 G CA -0.895 44.173 45.100 -0.052 0.000 1.005 137 G HN 0.764 nan 8.290 nan 0.000 0.509 138 I N 1.710 122.167 120.570 -0.188 0.000 2.378 138 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 138 I C -0.874 175.078 176.117 -0.274 0.000 0.992 138 I CA -0.755 60.475 61.300 -0.117 0.000 1.154 138 I CB 1.439 39.366 38.000 -0.122 0.000 1.315 138 I HN 0.386 nan 8.210 nan 0.000 0.448 139 Y N 4.427 124.797 120.300 0.117 0.000 2.549 139 Y HA 0.543 5.093 4.550 0.000 0.000 0.339 139 Y C 0.280 176.333 175.900 0.255 0.000 1.053 139 Y CA -0.885 57.293 58.100 0.129 0.000 1.105 139 Y CB 1.324 39.830 38.460 0.076 0.000 1.258 139 Y HN 0.380 nan 8.280 nan 0.000 0.478 140 R N 2.398 123.111 120.500 0.355 0.000 2.308 140 R HA 0.170 4.510 4.340 -0.000 0.000 0.305 140 R C -0.348 176.009 176.300 0.094 0.000 1.053 140 R CA -0.617 55.569 56.100 0.143 0.000 0.957 140 R CB 0.927 31.273 30.300 0.076 0.000 1.022 140 R HN 0.761 nan 8.270 nan 0.000 0.461 141 K N 3.382 123.787 120.400 0.009 0.000 2.451 141 K HA -0.036 4.283 4.320 -0.000 0.000 0.280 141 K C 0.512 177.103 176.600 -0.014 0.000 1.020 141 K CA 0.135 56.422 56.287 -0.000 0.000 1.008 141 K CB 0.674 33.161 32.500 -0.020 0.000 0.917 141 K HN 0.352 nan 8.250 nan 0.000 0.478 142 K N 1.186 121.582 120.400 -0.008 0.000 2.323 142 K HA 0.013 4.333 4.320 -0.000 0.000 0.197 142 K C 0.714 177.307 176.600 -0.012 0.000 1.043 142 K CA 0.408 56.691 56.287 -0.006 0.000 0.997 142 K CB 0.451 32.949 32.500 -0.003 0.000 0.807 142 K HN 0.727 nan 8.250 nan 0.000 0.497 143 S N -0.456 115.235 115.700 -0.016 0.000 2.677 143 S HA 0.260 4.730 4.470 -0.000 0.000 0.304 143 S C 0.636 175.227 174.600 -0.016 0.000 1.108 143 S CA -0.528 57.663 58.200 -0.014 0.000 0.944 143 S CB 1.680 64.872 63.200 -0.013 0.000 1.127 143 S HN 0.100 nan 8.310 nan 0.000 0.511 144 T N -1.468 113.078 114.554 -0.014 0.000 3.235 144 T HA 0.257 4.607 4.350 -0.000 0.000 0.251 144 T C -0.252 174.442 174.700 -0.011 0.000 1.060 144 T CA -0.340 61.752 62.100 -0.013 0.000 0.949 144 T CB -0.793 68.068 68.868 -0.012 0.000 1.020 144 T HN 0.526 nan 8.240 nan 0.000 0.564 145 D N 2.389 122.782 120.400 -0.011 0.000 2.362 145 D HA 0.203 4.843 4.640 -0.000 0.000 0.238 145 D C 0.422 176.717 176.300 -0.009 0.000 1.212 145 D CA -0.081 53.913 54.000 -0.010 0.000 0.902 145 D CB 0.361 41.154 40.800 -0.012 0.000 1.180 145 D HN 0.288 nan 8.370 nan 0.000 0.445 146 E N 1.467 121.662 120.200 -0.008 0.000 2.480 146 E HA 0.070 4.420 4.350 -0.000 0.000 0.258 146 E C -2.168 174.427 176.600 -0.008 0.000 0.984 146 E CA -1.180 55.216 56.400 -0.007 0.000 0.930 146 E CB 0.264 29.959 29.700 -0.008 0.000 0.936 146 E HN 0.118 nan 8.360 nan 0.000 0.466 147 P HA -0.010 nan 4.420 nan 0.000 0.264 147 P C -1.020 176.276 177.300 -0.006 0.000 1.193 147 P CA 0.103 63.200 63.100 -0.004 0.000 0.763 147 P CB 0.785 32.486 31.700 0.003 0.000 0.810 148 S N 0.869 116.564 115.700 -0.009 0.000 2.705 148 S HA 0.278 4.748 4.470 -0.000 0.000 0.280 148 S C 0.982 175.575 174.600 -0.012 0.000 1.174 148 S CA -0.847 57.345 58.200 -0.012 0.000 0.823 148 S CB 1.295 64.484 63.200 -0.018 0.000 1.162 148 S HN 0.367 nan 8.310 nan 0.000 0.487 149 E N 0.842 121.035 120.200 -0.011 0.000 2.130 149 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 149 E C 1.445 178.028 176.600 -0.029 0.000 0.998 149 E CA 1.445 57.838 56.400 -0.011 0.000 0.806 149 E CB -0.350 29.351 29.700 0.002 0.000 0.738 149 E HN 0.547 nan 8.360 nan 0.000 0.459 150 K N 0.747 121.129 120.400 -0.030 0.000 2.209 150 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 150 K C 1.577 178.142 176.600 -0.059 0.000 1.048 150 K CA 1.156 57.417 56.287 -0.042 0.000 0.940 150 K CB 0.031 32.511 32.500 -0.032 0.000 0.729 150 K HN 0.088 nan 8.250 nan 0.000 0.451 151 D N 0.663 121.035 120.400 -0.048 0.000 2.311 151 D HA -0.134 4.506 4.640 -0.000 0.000 0.212 151 D C 1.493 177.732 176.300 -0.101 0.000 0.972 151 D CA 1.077 55.044 54.000 -0.055 0.000 0.887 151 D CB 0.110 40.897 40.800 -0.022 0.000 0.915 151 D HN 0.297 nan 8.370 nan 0.000 0.497 152 A N 0.095 122.853 122.820 -0.103 0.000 2.195 152 A HA 0.119 4.439 4.320 -0.000 0.000 0.210 152 A C 1.558 179.001 177.584 -0.235 0.000 1.165 152 A CA -0.170 51.777 52.037 -0.151 0.000 0.806 152 A CB -0.048 18.916 19.000 -0.061 0.000 0.847 152 A HN 0.136 nan 8.150 nan 0.000 0.482 153 L N 1.360 122.477 121.223 -0.178 0.000 2.821 153 L HA 0.118 4.458 4.340 -0.000 0.000 0.239 153 L C -0.149 176.605 176.870 -0.192 0.000 1.391 153 L CA 0.024 54.772 54.840 -0.155 0.000 1.231 153 L CB -0.618 41.386 42.059 -0.092 0.000 1.598 153 L HN 0.451 nan 8.230 nan 0.000 0.428 154 Q N 1.614 121.206 119.800 -0.346 0.000 2.274 154 Q HA 0.423 4.763 4.340 -0.000 0.000 0.260 154 Q C -2.239 173.632 176.000 -0.214 0.000 0.974 154 Q CA -2.089 53.507 55.803 -0.344 0.000 0.876 154 Q CB 2.020 30.388 28.738 -0.617 0.000 1.297 154 Q HN 0.056 nan 8.270 nan 0.000 0.446 155 P HA -0.042 nan 4.420 nan 0.000 0.271 155 P C 0.431 177.843 177.300 0.188 0.000 1.218 155 P CA 0.147 63.278 63.100 0.051 0.000 0.780 155 P CB 0.671 32.403 31.700 0.052 0.000 0.901 156 G N 2.846 111.764 108.800 0.197 0.000 2.499 156 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.221 156 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.221 156 G C 1.496 176.519 174.900 0.205 0.000 1.109 156 G CA 0.207 45.445 45.100 0.231 0.000 0.749 156 G HN 0.422 nan 8.290 nan 0.000 0.568 157 R N 0.420 121.031 120.500 0.185 0.000 2.152 157 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 157 R C 1.698 178.105 176.300 0.179 0.000 1.117 157 R CA 0.802 57.005 56.100 0.172 0.000 0.981 157 R CB -0.493 29.880 30.300 0.122 0.000 0.870 157 R HN 0.285 nan 8.270 nan 0.000 0.451 158 N N 0.599 119.433 118.700 0.223 0.000 2.515 158 N HA 0.005 4.745 4.740 -0.000 0.000 0.185 158 N C 0.406 176.026 175.510 0.184 0.000 1.109 158 N CA 0.207 53.407 53.050 0.250 0.000 0.903 158 N CB -0.055 38.609 38.487 0.296 0.000 0.969 158 N HN 0.126 nan 8.380 nan 0.000 0.450 159 L N 0.290 121.471 121.223 -0.071 0.000 2.514 159 L HA -0.047 4.293 4.340 -0.000 0.000 0.280 159 L C 1.387 178.045 176.870 -0.353 0.000 1.223 159 L CA -0.150 54.335 54.840 -0.592 0.000 0.864 159 L CB 0.871 42.334 42.059 -0.995 0.000 1.118 159 L HN -0.071 nan 8.230 nan 0.000 0.494 160 V N 2.427 122.148 119.914 -0.323 0.000 2.949 160 V HA 0.293 4.413 4.120 -0.000 0.000 0.245 160 V C 0.579 176.593 176.094 -0.133 0.000 1.086 160 V CA 1.074 63.311 62.300 -0.106 0.000 1.097 160 V CB 0.460 32.295 31.823 0.019 0.000 0.762 160 V HN 0.860 nan 8.190 nan 0.000 0.470 161 A N -0.869 121.777 122.820 -0.290 0.000 2.605 161 A HA 0.922 5.242 4.320 -0.000 0.000 0.294 161 A C -1.118 176.300 177.584 -0.277 0.000 1.062 161 A CA 0.135 52.080 52.037 -0.155 0.000 0.682 161 A CB 1.606 20.593 19.000 -0.022 0.000 1.278 161 A HN 0.850 nan 8.150 nan 0.000 0.410 162 A N -0.446 122.287 122.820 -0.146 0.000 2.608 162 A HA 1.019 5.339 4.320 -0.000 0.000 0.292 162 A C -0.077 177.252 177.584 -0.424 0.000 1.066 162 A CA 0.281 52.125 52.037 -0.321 0.000 0.676 162 A CB 0.895 19.687 19.000 -0.348 0.000 1.277 162 A HN 2.768 nan 8.150 nan 0.000 0.413 163 G N -0.956 107.184 108.800 -1.100 0.000 2.393 163 G HA2 0.707 4.667 3.960 -0.000 0.000 0.264 163 G HA3 0.707 4.667 3.960 -0.000 0.000 0.264 163 G C -1.540 172.863 174.900 -0.828 0.000 1.221 163 G CA 0.529 45.146 45.100 -0.805 0.000 0.912 163 G HN 2.310 nan 8.290 nan 0.000 0.483 164 Y N -2.173 117.895 120.300 -0.387 0.000 2.565 164 Y HA 0.812 5.362 4.550 0.000 0.000 0.330 164 Y C -0.401 175.458 175.900 -0.069 0.000 1.150 164 Y CA -1.306 56.696 58.100 -0.164 0.000 1.055 164 Y CB 1.104 39.461 38.460 -0.172 0.000 1.337 164 Y HN 1.330 nan 8.280 nan 0.000 0.457 165 A N 3.092 125.971 122.820 0.099 0.000 2.276 165 A HA 0.670 4.990 4.320 -0.000 0.000 0.316 165 A C -1.592 175.787 177.584 -0.341 0.000 1.229 165 A CA -0.648 51.290 52.037 -0.165 0.000 0.851 165 A CB 0.894 19.758 19.000 -0.227 0.000 1.165 165 A HN 0.873 nan 8.150 nan 0.000 0.513 166 L N 3.455 124.493 121.223 -0.308 0.000 2.272 166 L HA 0.561 4.901 4.340 -0.000 0.000 0.289 166 L C -1.400 175.221 176.870 -0.415 0.000 1.032 166 L CA -0.342 54.303 54.840 -0.325 0.000 0.810 166 L CB 0.366 42.311 42.059 -0.190 0.000 1.205 166 L HN 0.563 nan 8.230 nan 0.000 0.422 167 Y N 5.462 125.791 120.300 0.049 0.000 2.714 167 Y HA 0.619 5.169 4.550 -0.001 0.000 0.333 167 Y C 0.972 176.888 175.900 0.027 0.000 1.220 167 Y CA -0.125 58.000 58.100 0.042 0.000 1.513 167 Y CB 0.172 38.658 38.460 0.044 0.000 1.435 167 Y HN 0.726 nan 8.280 nan 0.000 0.489 168 G N 0.431 109.288 108.800 0.094 0.000 3.194 168 G HA2 0.171 4.131 3.960 -0.000 0.000 0.160 168 G HA3 0.171 4.131 3.960 -0.000 0.000 0.160 168 G C 1.039 175.979 174.900 0.068 0.000 1.267 168 G CA -0.041 45.100 45.100 0.067 0.000 0.962 168 G HN 0.412 nan 8.290 nan 0.000 0.612 169 S N -0.719 115.013 115.700 0.054 0.000 2.419 169 S HA 0.346 4.816 4.470 -0.000 0.000 0.233 169 S C 1.019 175.646 174.600 0.046 0.000 1.016 169 S CA 1.284 59.512 58.200 0.047 0.000 0.974 169 S CB -0.302 62.925 63.200 0.044 0.000 0.786 169 S HN 1.292 nan 8.310 nan 0.000 0.492 170 A N 0.214 123.062 122.820 0.047 0.000 2.485 170 A HA 0.710 5.029 4.320 -0.000 0.000 0.292 170 A C -0.505 177.113 177.584 0.056 0.000 1.147 170 A CA -0.723 51.342 52.037 0.046 0.000 0.750 170 A CB 1.069 20.089 19.000 0.034 0.000 1.331 170 A HN 0.173 nan 8.150 nan 0.000 0.419 171 T N 1.820 116.418 114.554 0.073 0.000 2.733 171 T HA 0.517 4.867 4.350 -0.000 0.000 0.294 171 T C -0.271 174.489 174.700 0.100 0.000 0.956 171 T CA 0.216 62.374 62.100 0.097 0.000 0.987 171 T CB 0.077 69.067 68.868 0.202 0.000 0.920 171 T HN 0.586 nan 8.240 nan 0.000 0.470 172 M N 4.753 124.368 119.600 0.025 0.000 2.393 172 M HA 0.644 5.124 4.480 -0.000 0.000 0.316 172 M C -1.765 174.515 176.300 -0.033 0.000 1.087 172 M CA -1.068 54.251 55.300 0.031 0.000 0.937 172 M CB 1.628 34.174 32.600 -0.091 0.000 1.668 172 M HN 0.522 nan 8.290 nan 0.000 0.438 173 L N 5.583 126.807 121.223 0.002 0.000 2.287 173 L HA 0.631 4.971 4.340 -0.000 0.000 0.287 173 L C -1.525 175.254 176.870 -0.152 0.000 1.022 173 L CA -0.581 54.139 54.840 -0.200 0.000 0.814 173 L CB 1.592 43.307 42.059 -0.573 0.000 1.217 173 L HN 0.581 nan 8.230 nan 0.000 0.420 174 V N 6.241 125.915 119.914 -0.400 0.000 2.347 174 V HA 0.390 4.510 4.120 -0.000 0.000 0.280 174 V C -0.425 175.474 176.094 -0.326 0.000 1.021 174 V CA -0.518 61.508 62.300 -0.455 0.000 0.847 174 V CB 1.455 32.714 31.823 -0.941 0.000 0.990 174 V HN 0.547 nan 8.190 nan 0.000 0.444 175 L N 5.402 126.585 121.223 -0.067 0.000 2.325 175 L HA 0.906 5.246 4.340 -0.000 0.000 0.281 175 L C 0.102 177.006 176.870 0.057 0.000 1.004 175 L CA -0.237 54.625 54.840 0.037 0.000 0.823 175 L CB 1.435 43.567 42.059 0.121 0.000 1.236 175 L HN 0.689 nan 8.230 nan 0.000 0.415 176 A N 6.608 129.473 122.820 0.074 0.000 2.304 176 A HA 0.900 5.219 4.320 -0.000 0.000 0.323 176 A C -0.531 177.216 177.584 0.271 0.000 1.195 176 A CA -0.514 51.604 52.037 0.135 0.000 0.826 176 A CB 0.749 19.821 19.000 0.120 0.000 1.184 176 A HN 0.833 nan 8.150 nan 0.000 0.496 177 M N 0.217 119.948 119.600 0.220 0.000 3.053 177 M HA 0.303 4.783 4.480 -0.000 0.000 0.281 177 M C -0.059 176.336 176.300 0.158 0.000 1.304 177 M CA -0.803 54.638 55.300 0.235 0.000 0.767 177 M CB 0.930 33.636 32.600 0.176 0.000 1.730 177 M HN 0.670 nan 8.290 nan 0.000 0.437 178 D N 0.805 121.289 120.400 0.140 0.000 2.149 178 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 178 D C 1.792 178.121 176.300 0.048 0.000 0.990 178 D CA 1.692 55.741 54.000 0.082 0.000 0.839 178 D CB -0.046 40.800 40.800 0.077 0.000 0.948 178 D HN 0.761 nan 8.370 nan 0.000 0.460 179 C N -0.468 118.874 119.300 0.069 0.000 2.466 179 C HA 0.466 4.926 4.460 -0.000 0.000 0.283 179 C C 1.359 176.390 174.990 0.068 0.000 1.472 179 C CA 0.154 59.214 59.018 0.070 0.000 1.765 179 C CB -1.080 26.715 27.740 0.093 0.000 1.724 179 C HN 0.408 nan 8.230 nan 0.000 0.560 180 G N -0.463 108.366 108.800 0.047 0.000 2.352 180 G HA2 0.192 4.152 3.960 -0.000 0.000 0.324 180 G HA3 0.192 4.152 3.960 -0.000 0.000 0.324 180 G C -1.115 173.796 174.900 0.019 0.000 1.249 180 G CA -0.229 44.875 45.100 0.007 0.000 1.053 180 G HN 0.783 nan 8.290 nan 0.000 0.492 181 V N 1.320 121.221 119.914 -0.021 0.000 2.417 181 V HA 0.653 4.772 4.120 -0.000 0.000 0.291 181 V C -0.107 175.933 176.094 -0.089 0.000 1.024 181 V CA -0.732 61.542 62.300 -0.042 0.000 0.861 181 V CB 1.346 33.130 31.823 -0.064 0.000 0.985 181 V HN 0.703 nan 8.190 nan 0.000 0.436 182 N N 2.443 121.069 118.700 -0.123 0.000 2.240 182 N HA 0.679 5.419 4.740 -0.000 0.000 0.302 182 N C -1.249 174.025 175.510 -0.394 0.000 1.106 182 N CA -0.399 52.437 53.050 -0.356 0.000 0.778 182 N CB 1.891 39.985 38.487 -0.656 0.000 1.431 182 N HN 0.630 nan 8.380 nan 0.000 0.479 183 C N 1.627 120.589 119.300 -0.562 0.000 2.379 183 C HA 0.586 5.046 4.460 -0.000 0.000 0.323 183 C C -1.070 173.601 174.990 -0.533 0.000 1.262 183 C CA -0.851 57.951 59.018 -0.360 0.000 1.581 183 C CB -1.021 26.612 27.740 -0.179 0.000 2.221 183 C HN 0.595 nan 8.230 nan 0.000 0.497 184 F N 2.799 122.680 119.950 -0.115 0.000 2.460 184 F HA 0.511 5.038 4.527 -0.001 0.000 0.341 184 F C 0.186 176.057 175.800 0.118 0.000 1.130 184 F CA -0.831 57.163 58.000 -0.011 0.000 0.962 184 F CB 1.178 40.173 39.000 -0.009 0.000 1.171 184 F HN 0.405 nan 8.300 nan 0.000 0.436 185 M N 4.307 124.039 119.600 0.220 0.000 2.162 185 M HA 0.347 4.826 4.480 -0.000 0.000 0.356 185 M C -0.894 175.491 176.300 0.142 0.000 1.303 185 M CA -0.707 54.690 55.300 0.161 0.000 1.116 185 M CB 0.585 33.221 32.600 0.060 0.000 1.632 185 M HN 0.530 nan 8.290 nan 0.000 0.469 186 L N 5.910 127.163 121.223 0.050 0.000 2.385 186 L HA 0.234 4.574 4.340 -0.000 0.000 0.281 186 L C -0.553 176.219 176.870 -0.163 0.000 1.106 186 L CA 0.407 55.061 54.840 -0.310 0.000 0.856 186 L CB -0.077 41.691 42.059 -0.486 0.000 1.186 186 L HN 0.603 nan 8.230 nan 0.000 0.453 187 D N 7.471 127.775 120.400 -0.159 0.000 2.344 187 D HA 0.180 4.819 4.640 -0.000 0.000 0.253 187 D C -1.857 174.371 176.300 -0.120 0.000 1.255 187 D CA -1.915 52.025 54.000 -0.100 0.000 0.894 187 D CB 1.569 42.329 40.800 -0.067 0.000 1.067 187 D HN 0.400 nan 8.370 nan 0.000 0.492 188 P HA 0.010 nan 4.420 nan 0.000 0.225 188 P C 0.984 178.247 177.300 -0.061 0.000 1.156 188 P CA 0.515 63.567 63.100 -0.080 0.000 0.787 188 P CB 0.241 31.912 31.700 -0.049 0.000 0.802 189 A N 0.421 123.212 122.820 -0.049 0.000 1.940 189 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 189 A C 1.926 179.486 177.584 -0.040 0.000 1.176 189 A CA 1.903 53.918 52.037 -0.036 0.000 0.631 189 A CB -1.275 17.708 19.000 -0.027 0.000 0.814 189 A HN 0.404 nan 8.150 nan 0.000 0.446 190 I N -6.299 114.239 120.570 -0.053 0.000 4.338 190 I HA 0.516 4.686 4.170 -0.000 0.000 0.329 190 I C 1.008 177.083 176.117 -0.070 0.000 1.378 190 I CA 0.345 61.615 61.300 -0.049 0.000 1.170 190 I CB 0.158 38.136 38.000 -0.036 0.000 1.206 190 I HN 0.317 nan 8.210 nan 0.000 0.432 191 G N 1.972 110.707 108.800 -0.108 0.000 2.323 191 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.292 191 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.292 191 G C -0.302 174.491 174.900 -0.178 0.000 1.040 191 G CA 0.317 45.325 45.100 -0.154 0.000 0.942 191 G HN 0.514 nan 8.290 nan 0.000 0.506 192 E N -1.071 119.015 120.200 -0.190 0.000 2.238 192 E HA 0.566 4.916 4.350 -0.000 0.000 0.267 192 E C -0.427 176.044 176.600 -0.215 0.000 0.887 192 E CA -1.017 55.303 56.400 -0.132 0.000 0.769 192 E CB 0.955 30.637 29.700 -0.031 0.000 1.187 192 E HN 0.079 nan 8.360 nan 0.000 0.416 193 F N 2.723 122.681 119.950 0.014 0.000 2.404 193 F HA 0.235 4.762 4.527 0.000 0.000 0.359 193 F C 0.549 176.438 175.800 0.148 0.000 1.134 193 F CA -0.396 57.637 58.000 0.055 0.000 1.160 193 F CB 0.416 39.401 39.000 -0.026 0.000 1.186 193 F HN 0.131 nan 8.300 nan 0.000 0.526 194 I N 5.147 125.880 120.570 0.271 0.000 2.365 194 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 194 I C -0.076 176.142 176.117 0.169 0.000 1.004 194 I CA -0.909 60.509 61.300 0.196 0.000 1.311 194 I CB 1.229 39.277 38.000 0.080 0.000 1.401 194 I HN 0.327 nan 8.210 nan 0.000 0.491 195 L N 8.532 129.803 121.223 0.081 0.000 2.410 195 L HA 0.136 4.476 4.340 -0.000 0.000 0.273 195 L C 0.703 177.434 176.870 -0.232 0.000 1.144 195 L CA 0.590 55.232 54.840 -0.329 0.000 0.863 195 L CB 0.808 42.622 42.059 -0.409 0.000 1.140 195 L HN 0.545 nan 8.230 nan 0.000 0.463 196 V N -0.408 119.336 119.914 -0.284 0.000 3.480 196 V HA 0.502 4.622 4.120 -0.000 0.000 0.263 196 V C -0.290 175.697 176.094 -0.178 0.000 1.442 196 V CA 0.012 62.212 62.300 -0.165 0.000 1.053 196 V CB 0.404 32.172 31.823 -0.091 0.000 0.846 196 V HN 0.717 nan 8.190 nan 0.000 0.440 197 D N 1.623 121.870 120.400 -0.256 0.000 2.686 197 D HA 0.445 5.085 4.640 -0.000 0.000 0.249 197 D C -1.058 175.076 176.300 -0.276 0.000 1.260 197 D CA -0.175 53.697 54.000 -0.213 0.000 0.910 197 D CB 2.300 43.001 40.800 -0.164 0.000 1.323 197 D HN 0.373 nan 8.370 nan 0.000 0.561 198 K N 0.868 121.144 120.400 -0.208 0.000 2.156 198 K HA 0.234 4.554 4.320 -0.000 0.000 0.271 198 K C -0.261 176.266 176.600 -0.122 0.000 0.995 198 K CA -0.682 55.489 56.287 -0.193 0.000 0.890 198 K CB 1.246 33.674 32.500 -0.120 0.000 1.073 198 K HN 0.258 nan 8.250 nan 0.000 0.454 199 D N 1.459 121.797 120.400 -0.104 0.000 2.735 199 D HA -0.154 4.486 4.640 -0.000 0.000 0.235 199 D C -0.516 175.745 176.300 -0.065 0.000 1.175 199 D CA 0.460 54.428 54.000 -0.053 0.000 0.683 199 D CB -0.665 40.124 40.800 -0.017 0.000 1.008 199 D HN 0.301 nan 8.370 nan 0.000 0.416 200 V N -0.954 118.909 119.914 -0.085 0.000 2.686 200 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 200 V C 0.411 176.467 176.094 -0.064 0.000 1.055 200 V CA -0.198 62.053 62.300 -0.082 0.000 1.050 200 V CB 1.683 33.446 31.823 -0.100 0.000 0.984 200 V HN 0.143 nan 8.190 nan 0.000 0.482 201 K N 4.764 125.129 120.400 -0.058 0.000 2.371 201 K HA 0.561 4.881 4.320 -0.000 0.000 0.251 201 K C -0.634 175.939 176.600 -0.045 0.000 0.934 201 K CA -0.722 55.538 56.287 -0.046 0.000 0.798 201 K CB 2.911 35.390 32.500 -0.035 0.000 1.204 201 K HN 0.901 nan 8.250 nan 0.000 0.427 202 I N 1.788 122.337 120.570 -0.035 0.000 2.638 202 I HA 0.041 4.211 4.170 -0.000 0.000 0.286 202 I C 0.347 176.456 176.117 -0.013 0.000 1.088 202 I CA -0.212 61.071 61.300 -0.028 0.000 1.397 202 I CB 0.654 38.645 38.000 -0.014 0.000 1.414 202 I HN 0.359 nan 8.210 nan 0.000 0.566 203 K N 5.540 125.936 120.400 -0.006 0.000 2.469 203 K HA -0.080 4.240 4.320 -0.000 0.000 0.274 203 K C 0.896 177.508 176.600 0.021 0.000 0.983 203 K CA 0.231 56.523 56.287 0.008 0.000 0.974 203 K CB 0.526 33.035 32.500 0.015 0.000 0.913 203 K HN 0.517 nan 8.250 nan 0.000 0.493 204 K N 1.941 122.355 120.400 0.024 0.000 2.147 204 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 204 K C 0.114 176.748 176.600 0.057 0.000 1.049 204 K CA 1.517 57.825 56.287 0.036 0.000 0.936 204 K CB 0.228 32.746 32.500 0.031 0.000 0.722 204 K HN 0.333 nan 8.250 nan 0.000 0.446 205 K N -0.665 119.770 120.400 0.058 0.000 2.501 205 K HA 0.306 4.626 4.320 -0.000 0.000 0.252 205 K C -0.892 175.737 176.600 0.048 0.000 0.934 205 K CA -0.660 55.678 56.287 0.085 0.000 0.797 205 K CB 2.031 34.588 32.500 0.095 0.000 1.270 205 K HN 0.160 nan 8.250 nan 0.000 0.431 206 G N 1.389 110.222 108.800 0.055 0.000 2.938 206 G HA2 0.404 4.364 3.960 -0.000 0.000 0.258 206 G HA3 0.404 4.364 3.960 -0.000 0.000 0.258 206 G C -0.494 174.194 174.900 -0.354 0.000 1.356 206 G CA -0.444 44.625 45.100 -0.051 0.000 1.052 206 G HN 0.568 nan 8.290 nan 0.000 0.550 207 K N -0.812 119.295 120.400 -0.489 0.000 2.665 207 K HA 0.335 4.655 4.320 -0.000 0.000 0.194 207 K C -0.848 175.408 176.600 -0.573 0.000 1.135 207 K CA 0.042 55.774 56.287 -0.925 0.000 1.089 207 K CB 0.792 33.014 32.500 -0.465 0.000 0.817 207 K HN 0.259 nan 8.250 nan 0.000 0.506 208 I N 1.322 121.772 120.570 -0.199 0.000 2.569 208 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 208 I C -0.880 175.448 176.117 0.351 0.000 1.088 208 I CA -1.286 60.059 61.300 0.075 0.000 1.047 208 I CB 1.479 39.477 38.000 -0.004 0.000 1.237 208 I HN 0.005 nan 8.210 nan 0.000 0.421 209 Y N 3.312 123.783 120.300 0.285 0.000 2.487 209 Y HA 0.831 5.381 4.550 0.000 0.000 0.337 209 Y C -0.375 175.618 175.900 0.155 0.000 1.076 209 Y CA -1.285 56.951 58.100 0.228 0.000 1.115 209 Y CB 1.804 40.368 38.460 0.173 0.000 1.235 209 Y HN 0.408 nan 8.280 nan 0.000 0.468 210 S N 5.148 120.966 115.700 0.196 0.000 2.775 210 S HA 0.727 5.197 4.470 -0.000 0.000 0.277 210 S C -1.384 173.226 174.600 0.016 0.000 1.156 210 S CA -0.635 57.659 58.200 0.158 0.000 1.081 210 S CB -0.208 63.205 63.200 0.355 0.000 1.054 210 S HN 1.055 nan 8.310 nan 0.000 0.482 211 L N 2.220 123.333 121.223 -0.184 0.000 2.838 211 L HA 0.727 5.067 4.340 -0.000 0.000 0.266 211 L C -1.210 174.999 176.870 -1.103 0.000 1.040 211 L CA -1.154 53.310 54.840 -0.628 0.000 0.906 211 L CB 1.483 43.308 42.059 -0.390 0.000 1.501 211 L HN 0.456 nan 8.230 nan 0.000 0.407 212 N N 1.152 119.105 118.700 -1.246 0.000 2.415 212 N HA 0.137 4.877 4.740 -0.000 0.000 0.250 212 N C 0.287 175.600 175.510 -0.329 0.000 1.127 212 N CA 0.215 52.729 53.050 -0.894 0.000 0.945 212 N CB 0.619 38.692 38.487 -0.689 0.000 1.196 212 N HN 0.775 nan 8.380 nan 0.000 0.499 213 E N 1.689 121.769 120.200 -0.201 0.000 2.427 213 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 213 E C 1.399 177.874 176.600 -0.207 0.000 1.028 213 E CA 0.216 56.591 56.400 -0.043 0.000 0.864 213 E CB 0.200 29.932 29.700 0.053 0.000 0.813 213 E HN 0.755 nan 8.360 nan 0.000 0.514 214 G N 0.538 109.170 108.800 -0.280 0.000 2.448 214 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 214 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 214 G C 0.764 175.574 174.900 -0.150 0.000 1.127 214 G CA 0.370 45.311 45.100 -0.265 0.000 0.766 214 G HN 0.211 nan 8.290 nan 0.000 0.552 215 Y N 0.832 120.992 120.300 -0.233 0.000 2.645 215 Y HA 0.533 5.083 4.550 -0.000 0.000 0.307 215 Y C 2.176 177.698 175.900 -0.630 0.000 1.151 215 Y CA -1.164 56.778 58.100 -0.263 0.000 1.291 215 Y CB -0.557 37.847 38.460 -0.094 0.000 1.135 215 Y HN 0.215 nan 8.280 nan 0.000 0.523 216 A N 0.766 123.109 122.820 -0.795 0.000 2.019 216 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 216 A C 2.349 179.554 177.584 -0.631 0.000 1.164 216 A CA 1.716 52.912 52.037 -1.402 0.000 0.644 216 A CB -0.358 18.157 19.000 -0.807 0.000 0.805 216 A HN 0.572 nan 8.150 nan 0.000 0.449 217 K N -0.884 119.340 120.400 -0.294 0.000 2.283 217 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 217 K C 0.275 176.834 176.600 -0.069 0.000 1.048 217 K CA 1.536 57.745 56.287 -0.130 0.000 0.948 217 K CB -0.141 32.312 32.500 -0.077 0.000 0.742 217 K HN 0.199 nan 8.250 nan 0.000 0.458 218 D N 0.097 120.457 120.400 -0.068 0.000 2.339 218 D HA 0.062 4.702 4.640 -0.000 0.000 0.217 218 D C -0.195 176.213 176.300 0.180 0.000 1.050 218 D CA 0.041 54.062 54.000 0.035 0.000 0.856 218 D CB -0.006 40.809 40.800 0.025 0.000 0.922 218 D HN 0.031 nan 8.370 nan 0.000 0.518 219 F N 2.064 122.027 119.950 0.021 0.000 2.602 219 F HA -0.029 4.498 4.527 -0.000 0.000 0.367 219 F C 1.453 177.251 175.800 -0.004 0.000 1.126 219 F CA -0.866 57.141 58.000 0.013 0.000 1.321 219 F CB -0.004 38.998 39.000 0.004 0.000 1.094 219 F HN -0.135 nan 8.300 nan 0.000 0.594 220 D N 4.888 125.382 120.400 0.156 0.000 2.493 220 D HA -0.036 4.604 4.640 -0.000 0.000 0.240 220 D C -1.643 174.622 176.300 -0.058 0.000 1.142 220 D CA -0.898 53.114 54.000 0.020 0.000 0.872 220 D CB 1.405 42.204 40.800 -0.002 0.000 1.173 220 D HN 0.175 nan 8.370 nan 0.000 0.467 221 P HA -0.152 nan 4.420 nan 0.000 0.218 221 P C 0.808 177.751 177.300 -0.595 0.000 1.146 221 P CA 1.325 64.278 63.100 -0.245 0.000 0.813 221 P CB 0.187 31.791 31.700 -0.160 0.000 0.778 222 A N -0.809 121.528 122.820 -0.805 0.000 1.898 222 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 222 A C 2.310 179.759 177.584 -0.226 0.000 1.181 222 A CA 1.541 53.175 52.037 -0.672 0.000 0.620 222 A CB -1.571 17.106 19.000 -0.539 0.000 0.819 222 A HN 0.024 nan 8.150 nan 0.000 0.442 223 V N -0.107 119.728 119.914 -0.133 0.000 2.295 223 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 223 V C 2.742 178.760 176.094 -0.126 0.000 1.049 223 V CA 2.498 64.730 62.300 -0.112 0.000 1.024 223 V CB -1.353 30.219 31.823 -0.418 0.000 0.648 223 V HN 0.603 nan 8.190 nan 0.000 0.447 224 T N -0.530 114.002 114.554 -0.037 0.000 2.624 224 T HA -0.314 4.036 4.350 -0.000 0.000 0.268 224 T C 1.884 176.611 174.700 0.045 0.000 1.041 224 T CA 2.181 64.353 62.100 0.120 0.000 1.159 224 T CB -0.260 68.693 68.868 0.142 0.000 0.863 224 T HN 0.630 nan 8.240 nan 0.000 0.434 225 E N -0.634 119.566 120.200 0.001 0.000 2.072 225 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 225 E C 2.042 178.652 176.600 0.016 0.000 0.985 225 E CA 0.753 57.167 56.400 0.024 0.000 0.801 225 E CB -0.190 29.556 29.700 0.077 0.000 0.750 225 E HN 0.615 nan 8.360 nan 0.000 0.452 226 Y N 1.171 121.430 120.300 -0.070 0.000 2.097 226 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 226 Y C 1.978 177.794 175.900 -0.140 0.000 1.152 226 Y CA 1.643 59.704 58.100 -0.065 0.000 1.136 226 Y CB -0.175 38.315 38.460 0.050 0.000 0.975 226 Y HN 0.085 nan 8.280 nan 0.000 0.498 227 I N 0.635 121.093 120.570 -0.187 0.000 2.226 227 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 227 I C 2.455 178.366 176.117 -0.343 0.000 1.100 227 I CA 1.555 62.619 61.300 -0.394 0.000 1.374 227 I CB -1.605 36.273 38.000 -0.203 0.000 1.057 227 I HN 0.403 nan 8.210 nan 0.000 0.413 228 Q N 0.668 120.397 119.800 -0.118 0.000 2.096 228 Q HA -0.239 4.101 4.340 -0.000 0.000 0.208 228 Q C 2.430 178.430 176.000 0.001 0.000 0.993 228 Q CA 2.015 57.836 55.803 0.029 0.000 0.862 228 Q CB -0.005 28.750 28.738 0.027 0.000 0.915 228 Q HN 0.412 nan 8.270 nan 0.000 0.416 229 R N -0.307 120.095 120.500 -0.163 0.000 2.115 229 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 229 R C 2.121 178.224 176.300 -0.329 0.000 1.111 229 R CA 1.002 56.979 56.100 -0.205 0.000 0.976 229 R CB 0.016 30.165 30.300 -0.251 0.000 0.870 229 R HN 0.072 nan 8.270 nan 0.000 0.445 230 K N 0.905 120.970 120.400 -0.559 0.000 2.148 230 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 230 K C 1.742 178.153 176.600 -0.315 0.000 1.050 230 K CA 1.342 57.254 56.287 -0.626 0.000 0.942 230 K CB 0.050 32.017 32.500 -0.888 0.000 0.724 230 K HN 0.192 nan 8.250 nan 0.000 0.446 231 K N -0.763 119.448 120.400 -0.314 0.000 2.166 231 K HA 0.095 4.414 4.320 -0.000 0.000 0.201 231 K C 0.211 176.443 176.600 -0.613 0.000 1.052 231 K CA 0.512 56.557 56.287 -0.403 0.000 0.969 231 K CB 0.265 32.502 32.500 -0.438 0.000 0.761 231 K HN -0.046 nan 8.250 nan 0.000 0.459 232 F N 1.707 121.605 119.950 -0.087 0.000 2.531 232 F HA 0.306 4.833 4.527 0.000 0.000 0.333 232 F C -2.497 173.262 175.800 -0.068 0.000 1.292 232 F CA -2.714 55.252 58.000 -0.057 0.000 1.184 232 F CB 0.789 39.759 39.000 -0.050 0.000 1.426 232 F HN -0.254 nan 8.300 nan 0.000 0.559 233 P HA 0.061 nan 4.420 nan 0.000 0.268 233 P C -1.607 175.717 177.300 0.041 0.000 1.205 233 P CA -1.015 62.093 63.100 0.013 0.000 0.771 233 P CB 0.485 32.191 31.700 0.009 0.000 0.858 234 P HA -0.143 nan 4.420 nan 0.000 0.220 234 P C 0.224 177.538 177.300 0.024 0.000 1.148 234 P CA 1.478 64.592 63.100 0.023 0.000 0.803 234 P CB 0.068 31.774 31.700 0.010 0.000 0.782 235 D N -0.463 119.951 120.400 0.024 0.000 2.475 235 D HA 0.023 4.663 4.640 -0.000 0.000 0.286 235 D C 0.812 177.128 176.300 0.028 0.000 1.205 235 D CA -0.540 53.475 54.000 0.025 0.000 1.092 235 D CB -0.654 40.161 40.800 0.025 0.000 1.147 235 D HN -0.119 nan 8.370 nan 0.000 0.575 236 N N -0.908 117.807 118.700 0.027 0.000 2.322 236 N HA 0.024 4.763 4.740 -0.000 0.000 0.194 236 N C -0.058 175.469 175.510 0.028 0.000 1.126 236 N CA -0.030 53.035 53.050 0.026 0.000 0.845 236 N CB 0.233 38.733 38.487 0.021 0.000 0.976 236 N HN 0.430 nan 8.380 nan 0.000 0.475 237 S N 0.670 116.391 115.700 0.037 0.000 2.572 237 S HA 0.404 4.874 4.470 -0.000 0.000 0.279 237 S C 0.532 175.161 174.600 0.047 0.000 1.341 237 S CA -0.911 57.318 58.200 0.047 0.000 1.043 237 S CB 1.568 64.812 63.200 0.072 0.000 0.887 237 S HN 0.211 nan 8.310 nan 0.000 0.516 238 A N 3.669 126.515 122.820 0.043 0.000 2.511 238 A HA 0.459 4.779 4.320 -0.000 0.000 0.242 238 A C -1.998 175.633 177.584 0.079 0.000 1.069 238 A CA -1.075 50.983 52.037 0.036 0.000 0.763 238 A CB -1.047 17.961 19.000 0.014 0.000 1.001 238 A HN 0.743 nan 8.150 nan 0.000 0.498 239 P HA 0.089 nan 4.420 nan 0.000 0.268 239 P C -0.566 176.858 177.300 0.207 0.000 1.208 239 P CA 0.201 63.347 63.100 0.077 0.000 0.777 239 P CB 0.140 31.811 31.700 -0.048 0.000 0.875 240 Y N 0.563 120.877 120.300 0.023 0.000 2.480 240 Y HA 0.311 4.861 4.550 0.000 0.000 0.338 240 Y C 1.721 177.674 175.900 0.088 0.000 1.220 240 Y CA 0.072 58.228 58.100 0.093 0.000 1.430 240 Y CB -0.368 38.226 38.460 0.223 0.000 1.311 240 Y HN 0.386 nan 8.280 nan 0.000 0.575 241 G N 0.658 109.514 108.800 0.093 0.000 2.569 241 G HA2 0.496 4.456 3.960 -0.000 0.000 0.249 241 G HA3 0.496 4.456 3.960 -0.000 0.000 0.249 241 G C -1.064 173.733 174.900 -0.171 0.000 1.216 241 G CA -0.222 44.864 45.100 -0.024 0.000 0.845 241 G HN 0.812 nan 8.290 nan 0.000 0.568 242 A N 1.712 124.358 122.820 -0.290 0.000 2.331 242 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 242 A C -0.051 177.378 177.584 -0.257 0.000 1.138 242 A CA -0.775 50.924 52.037 -0.563 0.000 0.790 242 A CB 1.233 19.846 19.000 -0.646 0.000 1.206 242 A HN 0.563 nan 8.150 nan 0.000 0.470 243 R N 1.012 121.398 120.500 -0.190 0.000 2.621 243 R HA 0.465 4.805 4.340 -0.000 0.000 0.284 243 R C -2.194 174.174 176.300 0.113 0.000 0.998 243 R CA -0.515 55.567 56.100 -0.029 0.000 0.895 243 R CB 1.815 32.108 30.300 -0.011 0.000 1.195 243 R HN 0.782 nan 8.270 nan 0.000 0.450 244 Y N 1.879 122.163 120.300 -0.027 0.000 2.347 244 Y HA 0.115 4.666 4.550 0.000 0.000 0.339 244 Y C 0.486 176.406 175.900 0.032 0.000 1.152 244 Y CA -0.446 57.667 58.100 0.022 0.000 1.321 244 Y CB 0.612 39.068 38.460 -0.007 0.000 1.137 244 Y HN 0.348 nan 8.280 nan 0.000 0.486 245 V N 3.167 122.944 119.914 -0.228 0.000 2.392 245 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 245 V C 1.924 177.799 176.094 -0.365 0.000 1.059 245 V CA 2.395 64.568 62.300 -0.212 0.000 1.051 245 V CB -1.049 30.696 31.823 -0.129 0.000 0.658 245 V HN 1.267 nan 8.190 nan 0.000 0.455 246 G N -0.152 108.172 108.800 -0.794 0.000 2.176 246 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 246 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 246 G C 0.396 175.171 174.900 -0.208 0.000 0.979 246 G CA 0.398 45.107 45.100 -0.650 0.000 0.641 246 G HN 0.796 nan 8.290 nan 0.000 0.530 247 S N -0.113 115.483 115.700 -0.174 0.000 2.530 247 S HA 0.625 5.095 4.470 -0.000 0.000 0.322 247 S C 1.410 175.951 174.600 -0.099 0.000 1.085 247 S CA 0.395 58.553 58.200 -0.070 0.000 1.096 247 S CB 0.961 64.133 63.200 -0.047 0.000 0.988 247 S HN 0.448 nan 8.310 nan 0.000 0.466 248 M N 5.292 124.855 119.600 -0.062 0.000 2.080 248 M HA -0.088 4.391 4.480 -0.000 0.000 0.260 248 M C 1.214 177.304 176.300 -0.351 0.000 1.068 248 M CA 2.200 57.389 55.300 -0.186 0.000 1.109 248 M CB -0.372 32.178 32.600 -0.083 0.000 1.342 248 M HN 0.644 nan 8.290 nan 0.000 0.405 249 V N 0.952 120.700 119.914 -0.276 0.000 2.392 249 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 249 V C 2.702 178.589 176.094 -0.345 0.000 1.059 249 V CA 1.938 63.991 62.300 -0.412 0.000 1.051 249 V CB -1.559 30.089 31.823 -0.292 0.000 0.658 249 V HN 0.672 nan 8.190 nan 0.000 0.455 250 A N -0.304 122.398 122.820 -0.196 0.000 1.898 250 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 250 A C 2.048 179.568 177.584 -0.108 0.000 1.181 250 A CA 1.810 53.786 52.037 -0.102 0.000 0.620 250 A CB -0.516 18.448 19.000 -0.061 0.000 0.819 250 A HN 0.536 nan 8.150 nan 0.000 0.442 251 D N -0.308 119.982 120.400 -0.184 0.000 2.149 251 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 251 D C 2.061 178.202 176.300 -0.266 0.000 0.972 251 D CA 1.322 55.229 54.000 -0.155 0.000 0.835 251 D CB -0.185 40.568 40.800 -0.078 0.000 0.966 251 D HN 0.228 nan 8.370 nan 0.000 0.476 252 V N 0.602 120.229 119.914 -0.478 0.000 2.453 252 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 252 V C 2.295 178.264 176.094 -0.209 0.000 1.048 252 V CA 1.460 63.503 62.300 -0.428 0.000 1.049 252 V CB -0.473 31.026 31.823 -0.541 0.000 0.672 252 V HN 0.193 nan 8.190 nan 0.000 0.457 253 H N 0.668 119.560 119.070 -0.296 0.000 2.326 253 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 253 H C 2.469 177.764 175.328 -0.055 0.000 1.081 253 H CA 2.170 58.161 56.048 -0.096 0.000 1.334 253 H CB -0.117 29.631 29.762 -0.024 0.000 1.385 253 H HN 0.197 nan 8.280 nan 0.000 0.504 254 R N -0.323 120.138 120.500 -0.065 0.000 2.091 254 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 254 R C 1.747 178.036 176.300 -0.018 0.000 1.136 254 R CA 2.015 58.100 56.100 -0.026 0.000 0.959 254 R CB -0.435 29.933 30.300 0.112 0.000 0.856 254 R HN 0.403 nan 8.270 nan 0.000 0.437 255 T N 1.795 116.343 114.554 -0.010 0.000 2.759 255 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 255 T C 1.685 176.366 174.700 -0.032 0.000 1.042 255 T CA 1.307 63.420 62.100 0.021 0.000 1.140 255 T CB -0.219 68.674 68.868 0.043 0.000 0.864 255 T HN 0.193 nan 8.240 nan 0.000 0.455 256 L N 1.138 122.301 121.223 -0.099 0.000 2.056 256 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 256 L C 2.391 179.141 176.870 -0.200 0.000 1.078 256 L CA 1.458 56.229 54.840 -0.115 0.000 0.749 256 L CB -0.587 41.426 42.059 -0.076 0.000 0.901 256 L HN 0.064 nan 8.230 nan 0.000 0.433 257 V N -1.287 118.407 119.914 -0.366 0.000 2.379 257 V HA -0.234 3.885 4.120 -0.000 0.000 0.245 257 V C 1.944 177.763 176.094 -0.459 0.000 1.044 257 V CA 1.646 63.640 62.300 -0.510 0.000 1.036 257 V CB -0.674 30.672 31.823 -0.794 0.000 0.664 257 V HN 0.438 nan 8.190 nan 0.000 0.453 258 Y N 0.075 120.315 120.300 -0.100 0.000 2.458 258 Y HA 0.529 5.079 4.550 -0.000 0.000 0.254 258 Y C 1.412 177.278 175.900 -0.056 0.000 1.120 258 Y CA 0.160 58.217 58.100 -0.072 0.000 1.282 258 Y CB 0.029 38.449 38.460 -0.066 0.000 1.109 258 Y HN 0.337 nan 8.280 nan 0.000 0.526 259 G N -0.373 108.472 108.800 0.075 0.000 2.796 259 G HA2 0.336 4.296 3.960 -0.000 0.000 0.571 259 G HA3 0.336 4.296 3.960 -0.000 0.000 0.571 259 G C 0.136 175.089 174.900 0.087 0.000 1.370 259 G CA -0.403 44.734 45.100 0.061 0.000 0.856 259 G HN 1.138 nan 8.290 nan 0.000 0.538 260 G N -1.405 107.458 108.800 0.106 0.000 2.396 260 G HA2 0.433 4.393 3.960 -0.000 0.000 0.254 260 G HA3 0.433 4.393 3.960 -0.000 0.000 0.254 260 G C -0.542 174.484 174.900 0.211 0.000 1.248 260 G CA 0.173 45.378 45.100 0.174 0.000 1.033 260 G HN 2.278 nan 8.290 nan 0.000 0.502 261 I N -0.509 120.221 120.570 0.266 0.000 2.647 261 I HA 0.796 4.966 4.170 -0.000 0.000 0.295 261 I C -1.325 174.941 176.117 0.248 0.000 1.078 261 I CA -1.321 60.115 61.300 0.227 0.000 1.048 261 I CB 1.723 39.855 38.000 0.220 0.000 1.239 261 I HN 0.806 nan 8.210 nan 0.000 0.421 262 F N 8.076 128.047 119.950 0.036 0.000 2.493 262 F HA 0.733 5.260 4.527 0.000 0.000 0.329 262 F C -1.947 173.831 175.800 -0.037 0.000 1.126 262 F CA -0.625 57.398 58.000 0.039 0.000 0.937 262 F CB 1.382 40.410 39.000 0.048 0.000 1.146 262 F HN 0.211 nan 8.300 nan 0.000 0.442 263 L N 7.196 127.914 121.223 -0.842 0.000 2.381 263 L HA 0.367 4.707 4.340 -0.000 0.000 0.274 263 L C -1.482 174.936 176.870 -0.754 0.000 0.988 263 L CA -0.592 53.834 54.840 -0.690 0.000 0.824 263 L CB 1.660 43.408 42.059 -0.517 0.000 1.263 263 L HN 0.577 nan 8.230 nan 0.000 0.410 264 Y N 4.465 124.463 120.300 -0.503 0.000 2.584 264 Y HA 0.475 5.025 4.550 -0.000 0.000 0.358 264 Y C -2.540 173.282 175.900 -0.130 0.000 1.028 264 Y CA -2.651 55.304 58.100 -0.241 0.000 1.148 264 Y CB 0.622 39.034 38.460 -0.079 0.000 1.126 264 Y HN 0.396 nan 8.280 nan 0.000 0.658 265 P HA 0.428 nan 4.420 nan 0.000 0.280 265 P C -0.540 176.832 177.300 0.120 0.000 1.272 265 P CA -0.547 62.570 63.100 0.030 0.000 0.819 265 P CB 1.041 32.711 31.700 -0.049 0.000 1.122 266 A N 1.559 124.450 122.820 0.119 0.000 2.406 266 A HA 0.482 4.802 4.320 -0.000 0.000 0.243 266 A C 0.294 177.956 177.584 0.131 0.000 1.082 266 A CA 0.175 52.289 52.037 0.128 0.000 0.786 266 A CB -0.773 18.302 19.000 0.125 0.000 1.029 266 A HN 0.809 nan 8.150 nan 0.000 0.495 267 N N -0.535 118.238 118.700 0.120 0.000 2.972 267 N HA 0.280 5.020 4.740 -0.000 0.000 0.262 267 N C 0.046 175.605 175.510 0.081 0.000 1.478 267 N CA -0.742 52.374 53.050 0.110 0.000 0.841 267 N CB 0.672 39.244 38.487 0.143 0.000 1.512 267 N HN 0.407 nan 8.380 nan 0.000 0.548 268 K N -0.040 120.399 120.400 0.065 0.000 2.103 268 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 268 K C 0.999 177.623 176.600 0.039 0.000 1.048 268 K CA 1.494 57.808 56.287 0.045 0.000 0.930 268 K CB -0.138 32.382 32.500 0.034 0.000 0.716 268 K HN 0.479 nan 8.250 nan 0.000 0.444 269 K N -0.142 120.282 120.400 0.040 0.000 2.155 269 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 269 K C 0.399 177.021 176.600 0.036 0.000 1.052 269 K CA 0.755 57.058 56.287 0.028 0.000 0.948 269 K CB 0.316 32.823 32.500 0.013 0.000 0.728 269 K HN -0.097 nan 8.250 nan 0.000 0.448 270 S N 1.699 117.433 115.700 0.056 0.000 2.259 270 S HA 0.173 4.643 4.470 -0.000 0.000 0.181 270 S C -2.195 172.445 174.600 0.067 0.000 1.589 270 S CA -1.008 57.228 58.200 0.060 0.000 1.234 270 S CB 1.494 64.743 63.200 0.081 0.000 1.119 270 S HN 0.050 nan 8.310 nan 0.000 0.458 271 P HA -0.005 nan 4.420 nan 0.000 0.230 271 P C 0.038 177.373 177.300 0.058 0.000 1.158 271 P CA 0.848 63.984 63.100 0.059 0.000 0.769 271 P CB -0.092 31.637 31.700 0.047 0.000 0.807 272 N N -0.596 118.131 118.700 0.045 0.000 2.234 272 N HA 0.332 5.072 4.740 -0.000 0.000 0.227 272 N C 0.730 176.255 175.510 0.025 0.000 1.151 272 N CA 0.365 53.434 53.050 0.032 0.000 0.865 272 N CB 0.665 39.162 38.487 0.017 0.000 1.066 272 N HN 0.062 nan 8.380 nan 0.000 0.515 273 G N 1.197 110.026 108.800 0.049 0.000 2.750 273 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.228 273 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.228 273 G C 0.204 175.096 174.900 -0.013 0.000 1.367 273 G CA -0.191 44.940 45.100 0.053 0.000 0.871 273 G HN 0.230 nan 8.290 nan 0.000 0.560 274 K N -0.885 119.428 120.400 -0.146 0.000 2.387 274 K HA 0.289 4.608 4.320 -0.000 0.000 0.197 274 K C 1.295 177.726 176.600 -0.283 0.000 1.127 274 K CA -0.099 56.048 56.287 -0.234 0.000 0.950 274 K CB 0.275 32.598 32.500 -0.295 0.000 1.017 274 K HN 0.406 nan 8.250 nan 0.000 0.519 275 L N 2.544 123.550 121.223 -0.362 0.000 2.452 275 L HA 0.130 4.470 4.340 -0.000 0.000 0.267 275 L C 0.391 177.167 176.870 -0.156 0.000 1.188 275 L CA -0.468 54.235 54.840 -0.227 0.000 0.821 275 L CB 0.253 42.216 42.059 -0.161 0.000 1.102 275 L HN -0.013 nan 8.230 nan 0.000 0.470 276 R N 1.920 122.313 120.500 -0.180 0.000 2.254 276 R HA 0.130 4.470 4.340 -0.000 0.000 0.318 276 R C 0.729 176.815 176.300 -0.357 0.000 1.031 276 R CA -0.601 55.311 56.100 -0.313 0.000 0.905 276 R CB 1.086 31.046 30.300 -0.566 0.000 1.050 276 R HN 0.509 nan 8.270 nan 0.000 0.456 277 L N 3.608 124.670 121.223 -0.267 0.000 1.989 277 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 277 L C 1.591 178.344 176.870 -0.195 0.000 1.071 277 L CA 1.957 56.691 54.840 -0.176 0.000 0.749 277 L CB -0.437 41.558 42.059 -0.105 0.000 0.890 277 L HN 0.571 nan 8.230 nan 0.000 0.431 278 L N -1.330 119.718 121.223 -0.292 0.000 2.109 278 L HA -0.160 4.179 4.340 -0.000 0.000 0.207 278 L C 1.763 178.636 176.870 0.005 0.000 1.086 278 L CA 1.733 56.511 54.840 -0.103 0.000 0.760 278 L CB -0.695 41.345 42.059 -0.033 0.000 0.910 278 L HN 0.617 nan 8.230 nan 0.000 0.437 279 Y N -4.835 115.492 120.300 0.045 0.000 2.527 279 Y HA 0.452 5.002 4.550 -0.000 0.000 0.247 279 Y C 1.529 177.457 175.900 0.047 0.000 1.138 279 Y CA -0.577 57.557 58.100 0.056 0.000 1.228 279 Y CB -0.414 38.068 38.460 0.037 0.000 1.252 279 Y HN 0.051 nan 8.280 nan 0.000 0.531 280 E N -0.096 120.077 120.200 -0.045 0.000 2.756 280 E HA 0.059 4.409 4.350 -0.000 0.000 0.192 280 E C 1.473 178.062 176.600 -0.018 0.000 1.022 280 E CA 0.808 57.209 56.400 0.001 0.000 1.224 280 E CB -0.202 29.489 29.700 -0.016 0.000 1.252 280 E HN 0.317 nan 8.360 nan 0.000 0.494 281 C N 1.445 120.719 119.300 -0.043 0.000 2.436 281 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 281 C C 2.448 177.447 174.990 0.014 0.000 1.241 281 C CA 0.980 59.994 59.018 -0.007 0.000 1.721 281 C CB -1.298 26.431 27.740 -0.018 0.000 2.043 281 C HN 0.468 nan 8.230 nan 0.000 0.472 282 N N 1.143 119.852 118.700 0.014 0.000 2.069 282 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 282 N C -1.059 174.482 175.510 0.051 0.000 1.031 282 N CA 1.476 54.556 53.050 0.051 0.000 0.852 282 N CB -0.716 37.820 38.487 0.083 0.000 1.018 282 N HN 0.439 nan 8.380 nan 0.000 0.423 283 P HA -0.099 nan 4.420 nan 0.000 0.217 283 P C 1.047 178.375 177.300 0.047 0.000 1.150 283 P CA 1.117 64.206 63.100 -0.018 0.000 0.832 283 P CB 0.133 31.786 31.700 -0.078 0.000 0.787 284 M N -0.946 118.674 119.600 0.033 0.000 2.200 284 M HA 0.019 4.499 4.480 -0.000 0.000 0.265 284 M C 2.127 178.459 176.300 0.054 0.000 1.066 284 M CA 1.399 56.718 55.300 0.032 0.000 1.127 284 M CB -2.028 30.547 32.600 -0.042 0.000 1.379 284 M HN -0.116 nan 8.290 nan 0.000 0.420 285 A N -0.672 122.187 122.820 0.064 0.000 1.908 285 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 285 A C 2.220 179.857 177.584 0.088 0.000 1.181 285 A CA 1.640 53.718 52.037 0.068 0.000 0.627 285 A CB -1.217 17.825 19.000 0.070 0.000 0.818 285 A HN 0.502 nan 8.150 nan 0.000 0.445 286 Y N 0.401 120.694 120.300 -0.012 0.000 2.145 286 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 286 Y C 2.431 178.319 175.900 -0.020 0.000 1.145 286 Y CA 2.012 60.099 58.100 -0.021 0.000 1.148 286 Y CB -0.238 38.192 38.460 -0.049 0.000 0.981 286 Y HN 0.076 nan 8.280 nan 0.000 0.507 287 V N 0.260 120.238 119.914 0.107 0.000 2.287 287 V HA -0.395 3.725 4.120 -0.000 0.000 0.248 287 V C 2.421 178.498 176.094 -0.029 0.000 1.053 287 V CA 2.059 64.375 62.300 0.026 0.000 1.027 287 V CB -0.654 31.238 31.823 0.115 0.000 0.646 287 V HN 0.466 nan 8.190 nan 0.000 0.447 288 M N -0.605 118.995 119.600 -0.000 0.000 2.086 288 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 288 M C 2.217 178.488 176.300 -0.048 0.000 1.067 288 M CA 1.755 57.048 55.300 -0.011 0.000 1.116 288 M CB -1.109 31.497 32.600 0.010 0.000 1.348 288 M HN 0.454 nan 8.290 nan 0.000 0.407 289 E N -0.346 119.806 120.200 -0.080 0.000 2.106 289 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 289 E C 1.932 178.441 176.600 -0.152 0.000 0.984 289 E CA 0.655 56.994 56.400 -0.102 0.000 0.806 289 E CB 0.069 29.713 29.700 -0.094 0.000 0.750 289 E HN 0.340 nan 8.360 nan 0.000 0.458 290 K N 0.212 120.465 120.400 -0.246 0.000 2.283 290 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 290 K C 1.536 178.062 176.600 -0.123 0.000 1.048 290 K CA 0.656 56.805 56.287 -0.229 0.000 0.948 290 K CB 0.109 32.409 32.500 -0.333 0.000 0.742 290 K HN 0.017 nan 8.250 nan 0.000 0.458 291 A N 0.214 122.977 122.820 -0.095 0.000 2.337 291 A HA 0.348 4.668 4.320 -0.000 0.000 0.227 291 A C 1.111 178.668 177.584 -0.046 0.000 1.259 291 A CA 0.595 52.595 52.037 -0.061 0.000 0.870 291 A CB -0.190 18.781 19.000 -0.048 0.000 0.927 291 A HN 0.311 nan 8.150 nan 0.000 0.497 292 G N -1.442 107.330 108.800 -0.048 0.000 2.147 292 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.244 292 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.244 292 G C 0.628 175.518 174.900 -0.015 0.000 1.005 292 G CA 0.445 45.527 45.100 -0.029 0.000 0.713 292 G HN 1.329 nan 8.290 nan 0.000 0.515 293 G N -1.449 107.341 108.800 -0.017 0.000 2.613 293 G HA2 0.800 4.760 3.960 -0.000 0.000 0.303 293 G HA3 0.800 4.760 3.960 -0.000 0.000 0.303 293 G C -0.112 174.789 174.900 0.000 0.000 1.312 293 G CA -0.898 44.202 45.100 -0.000 0.000 1.036 293 G HN 0.364 nan 8.290 nan 0.000 0.513 294 M N -0.587 119.020 119.600 0.012 0.000 2.690 294 M HA 0.641 5.121 4.480 -0.000 0.000 0.302 294 M C -0.719 175.588 176.300 0.011 0.000 1.234 294 M CA -0.878 54.428 55.300 0.010 0.000 0.853 294 M CB 2.812 35.422 32.600 0.016 0.000 1.748 294 M HN 0.623 nan 8.290 nan 0.000 0.469 295 A N 1.296 124.121 122.820 0.008 0.000 2.547 295 A HA 0.628 4.948 4.320 -0.000 0.000 0.279 295 A C -0.916 176.665 177.584 -0.005 0.000 1.088 295 A CA -0.527 51.515 52.037 0.007 0.000 0.796 295 A CB 1.451 20.465 19.000 0.024 0.000 1.308 295 A HN 0.711 nan 8.150 nan 0.000 0.415 296 T N 0.321 114.856 114.554 -0.031 0.000 2.912 296 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 296 T C 1.319 175.977 174.700 -0.070 0.000 1.030 296 T CA 0.466 62.539 62.100 -0.046 0.000 1.020 296 T CB 1.338 70.179 68.868 -0.046 0.000 1.056 296 T HN 1.151 nan 8.240 nan 0.000 0.480 297 T N -0.024 114.487 114.554 -0.072 0.000 3.081 297 T HA 0.390 4.740 4.350 -0.000 0.000 0.255 297 T C 1.591 176.199 174.700 -0.154 0.000 1.113 297 T CA 1.022 63.077 62.100 -0.075 0.000 1.082 297 T CB -0.124 68.719 68.868 -0.041 0.000 0.939 297 T HN 1.358 nan 8.240 nan 0.000 0.506 298 G N 1.591 110.236 108.800 -0.258 0.000 2.424 298 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.207 298 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.207 298 G C 1.002 175.512 174.900 -0.650 0.000 1.061 298 G CA 0.222 44.880 45.100 -0.737 0.000 0.657 298 G HN 0.491 nan 8.290 nan 0.000 0.508 299 K N 0.986 121.241 120.400 -0.241 0.000 2.276 299 K HA 0.295 4.615 4.320 -0.000 0.000 0.198 299 K C 0.880 177.464 176.600 -0.027 0.000 1.052 299 K CA 1.172 57.433 56.287 -0.044 0.000 0.984 299 K CB 0.439 32.964 32.500 0.041 0.000 0.836 299 K HN 0.736 nan 8.250 nan 0.000 0.490 300 E N -0.474 119.702 120.200 -0.039 0.000 2.437 300 E HA 0.496 4.846 4.350 -0.000 0.000 0.280 300 E C -1.502 175.088 176.600 -0.017 0.000 1.044 300 E CA -1.087 55.304 56.400 -0.015 0.000 0.826 300 E CB 1.051 30.753 29.700 0.003 0.000 1.358 300 E HN -0.048 nan 8.360 nan 0.000 0.459 301 A N 1.046 123.866 122.820 -0.001 0.000 2.540 301 A HA 0.161 4.481 4.320 -0.000 0.000 0.239 301 A C 1.140 178.731 177.584 0.012 0.000 1.061 301 A CA -0.045 51.996 52.037 0.007 0.000 0.758 301 A CB 0.330 19.341 19.000 0.019 0.000 0.991 301 A HN 0.504 nan 8.150 nan 0.000 0.502 302 V N 3.162 123.085 119.914 0.014 0.000 2.343 302 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 302 V C 2.333 178.451 176.094 0.040 0.000 1.051 302 V CA 2.164 64.476 62.300 0.020 0.000 1.036 302 V CB -0.848 30.988 31.823 0.023 0.000 0.654 302 V HN 0.821 nan 8.190 nan 0.000 0.451 303 L N -0.219 121.038 121.223 0.056 0.000 2.353 303 L HA -0.147 4.193 4.340 -0.000 0.000 0.220 303 L C 1.925 178.839 176.870 0.073 0.000 1.133 303 L CA 1.106 55.996 54.840 0.084 0.000 0.798 303 L CB -0.517 41.605 42.059 0.105 0.000 0.922 303 L HN 0.390 nan 8.230 nan 0.000 0.445 304 D N -0.707 119.722 120.400 0.049 0.000 2.346 304 D HA 0.038 4.678 4.640 -0.000 0.000 0.206 304 D C 0.784 177.102 176.300 0.030 0.000 1.001 304 D CA 0.276 54.300 54.000 0.040 0.000 0.871 304 D CB 0.395 41.214 40.800 0.031 0.000 0.943 304 D HN 0.016 nan 8.370 nan 0.000 0.518 305 V N 3.041 122.970 119.914 0.025 0.000 2.557 305 V HA -0.076 4.044 4.120 -0.000 0.000 0.301 305 V C 0.806 176.906 176.094 0.010 0.000 1.026 305 V CA 0.208 62.516 62.300 0.014 0.000 1.137 305 V CB 0.767 32.594 31.823 0.007 0.000 0.917 305 V HN 0.043 nan 8.190 nan 0.000 0.484 306 I N 7.601 128.172 120.570 0.002 0.000 2.297 306 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 306 I C -1.920 174.185 176.117 -0.020 0.000 1.033 306 I CA -1.795 59.499 61.300 -0.010 0.000 1.253 306 I CB 1.293 39.288 38.000 -0.008 0.000 1.396 306 I HN 0.455 nan 8.210 nan 0.000 0.476 307 P HA 0.150 nan 4.420 nan 0.000 0.271 307 P C 0.612 177.890 177.300 -0.037 0.000 1.216 307 P CA -0.052 63.024 63.100 -0.040 0.000 0.776 307 P CB 0.826 32.490 31.700 -0.060 0.000 0.881 308 T N -2.907 111.632 114.554 -0.026 0.000 3.010 308 T HA 0.169 4.519 4.350 -0.000 0.000 0.257 308 T C 0.114 174.806 174.700 -0.014 0.000 1.020 308 T CA 0.012 62.101 62.100 -0.018 0.000 0.938 308 T CB 0.114 68.977 68.868 -0.007 0.000 1.049 308 T HN 0.387 nan 8.240 nan 0.000 0.522 309 D N 0.728 121.117 120.400 -0.018 0.000 2.990 309 D HA 0.254 4.894 4.640 -0.000 0.000 0.227 309 D C 1.196 177.470 176.300 -0.044 0.000 1.249 309 D CA -0.603 53.391 54.000 -0.010 0.000 0.891 309 D CB 2.190 43.002 40.800 0.019 0.000 1.647 309 D HN 0.240 nan 8.370 nan 0.000 0.530 310 I N 0.882 121.402 120.570 -0.084 0.000 2.361 310 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 310 I C 0.887 176.861 176.117 -0.238 0.000 1.133 310 I CA 1.101 62.290 61.300 -0.184 0.000 1.413 310 I CB -0.152 37.688 38.000 -0.268 0.000 1.073 310 I HN 0.262 nan 8.210 nan 0.000 0.424 311 H N 2.182 121.285 119.070 0.055 0.000 2.505 311 H HA 0.230 4.786 4.556 -0.000 0.000 0.286 311 H C 0.399 175.710 175.328 -0.029 0.000 1.072 311 H CA -0.276 55.803 56.048 0.051 0.000 1.141 311 H CB -0.099 29.711 29.762 0.081 0.000 1.550 311 H HN 0.626 nan 8.280 nan 0.000 0.547 312 Q N 1.261 121.075 119.800 0.024 0.000 2.432 312 Q HA 0.150 4.490 4.340 -0.000 0.000 0.264 312 Q C -0.412 175.560 176.000 -0.047 0.000 1.035 312 Q CA -0.070 55.731 55.803 -0.004 0.000 0.908 312 Q CB 1.237 29.967 28.738 -0.014 0.000 1.280 312 Q HN 0.194 nan 8.270 nan 0.000 0.455 313 R N 0.489 120.969 120.500 -0.034 0.000 2.532 313 R HA 0.737 5.077 4.340 -0.000 0.000 0.272 313 R C -0.976 175.296 176.300 -0.047 0.000 1.032 313 R CA -0.280 55.787 56.100 -0.055 0.000 1.089 313 R CB 1.695 31.971 30.300 -0.040 0.000 1.098 313 R HN 0.774 nan 8.270 nan 0.000 0.526 314 A N 2.533 125.319 122.820 -0.056 0.000 2.449 314 A HA 0.603 4.923 4.320 -0.000 0.000 0.302 314 A C -2.652 174.921 177.584 -0.019 0.000 1.048 314 A CA -1.938 50.081 52.037 -0.030 0.000 0.708 314 A CB 1.620 20.601 19.000 -0.031 0.000 1.274 314 A HN 0.392 nan 8.150 nan 0.000 0.410 315 P HA 0.391 nan 4.420 nan 0.000 0.275 315 P C -0.770 176.531 177.300 0.002 0.000 1.228 315 P CA -0.188 62.923 63.100 0.019 0.000 0.786 315 P CB 1.187 32.903 31.700 0.026 0.000 0.927 316 V N 4.148 124.069 119.914 0.013 0.000 2.733 316 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 316 V C -1.415 174.636 176.094 -0.071 0.000 1.084 316 V CA -0.645 61.660 62.300 0.008 0.000 0.905 316 V CB 1.551 33.429 31.823 0.093 0.000 1.010 316 V HN 0.241 nan 8.190 nan 0.000 0.424 317 I N 7.816 128.296 120.570 -0.151 0.000 2.478 317 I HA 0.713 4.883 4.170 -0.000 0.000 0.287 317 I C -0.721 175.319 176.117 -0.128 0.000 1.042 317 I CA -0.290 60.832 61.300 -0.297 0.000 1.067 317 I CB 1.750 39.306 38.000 -0.740 0.000 1.233 317 I HN 0.650 nan 8.210 nan 0.000 0.431 318 L N 4.185 125.400 121.223 -0.013 0.000 2.409 318 L HA 1.170 5.510 4.340 -0.000 0.000 0.255 318 L C -0.012 176.905 176.870 0.079 0.000 1.027 318 L CA -0.270 54.601 54.840 0.051 0.000 0.834 318 L CB 1.667 43.787 42.059 0.102 0.000 1.426 318 L HN 0.791 nan 8.230 nan 0.000 0.411 319 G N -0.428 108.409 108.800 0.062 0.000 2.240 319 G HA2 0.112 4.072 3.960 -0.000 0.000 0.199 319 G HA3 0.112 4.072 3.960 -0.000 0.000 0.199 319 G C -1.028 173.907 174.900 0.058 0.000 1.342 319 G CA -0.365 44.778 45.100 0.072 0.000 1.145 319 G HN 0.868 nan 8.290 nan 0.000 0.477 320 S N 3.231 118.977 115.700 0.077 0.000 2.552 320 S HA 0.326 4.796 4.470 -0.000 0.000 0.289 320 S C -0.735 173.909 174.600 0.074 0.000 1.304 320 S CA 0.232 58.476 58.200 0.073 0.000 1.063 320 S CB 1.600 64.856 63.200 0.095 0.000 0.848 320 S HN 0.538 nan 8.310 nan 0.000 0.499 321 P HA -0.103 nan 4.420 nan 0.000 0.216 321 P C 0.637 177.981 177.300 0.073 0.000 1.153 321 P CA 1.036 64.168 63.100 0.054 0.000 0.848 321 P CB 0.080 31.802 31.700 0.037 0.000 0.787 322 D N 0.067 120.518 120.400 0.085 0.000 2.149 322 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 322 D C 1.678 178.065 176.300 0.146 0.000 0.990 322 D CA 1.104 55.168 54.000 0.105 0.000 0.839 322 D CB -0.633 40.232 40.800 0.109 0.000 0.948 322 D HN 0.230 nan 8.370 nan 0.000 0.460 323 D N -0.104 120.401 120.400 0.175 0.000 2.103 323 D HA -0.065 4.575 4.640 -0.000 0.000 0.199 323 D C 2.313 178.707 176.300 0.157 0.000 0.978 323 D CA 0.453 54.595 54.000 0.236 0.000 0.829 323 D CB -0.094 40.884 40.800 0.297 0.000 0.981 323 D HN 0.095 nan 8.370 nan 0.000 0.464 324 V N 1.616 121.587 119.914 0.095 0.000 2.358 324 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 324 V C 2.704 178.855 176.094 0.095 0.000 1.047 324 V CA 1.023 63.356 62.300 0.055 0.000 1.035 324 V CB -0.471 31.367 31.823 0.025 0.000 0.658 324 V HN 0.166 nan 8.190 nan 0.000 0.452 325 L N -0.164 121.109 121.223 0.084 0.000 2.046 325 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 325 L C 2.635 179.553 176.870 0.080 0.000 1.077 325 L CA 1.976 56.859 54.840 0.072 0.000 0.747 325 L CB -0.524 41.572 42.059 0.063 0.000 0.896 325 L HN 0.438 nan 8.230 nan 0.000 0.432 326 E N 0.048 120.319 120.200 0.118 0.000 2.072 326 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 326 E C 2.163 178.840 176.600 0.128 0.000 0.985 326 E CA 1.207 57.699 56.400 0.154 0.000 0.801 326 E CB -0.093 29.751 29.700 0.240 0.000 0.750 326 E HN 0.387 nan 8.360 nan 0.000 0.452 327 F N 1.295 121.141 119.950 -0.174 0.000 2.126 327 F HA -0.179 4.348 4.527 0.000 0.000 0.299 327 F C 1.895 177.613 175.800 -0.136 0.000 1.096 327 F CA 1.319 59.042 58.000 -0.462 0.000 1.255 327 F CB -0.177 38.364 39.000 -0.764 0.000 0.997 327 F HN -0.007 nan 8.300 nan 0.000 0.479 328 L N 0.361 121.525 121.223 -0.099 0.000 2.083 328 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 328 L C 2.573 179.402 176.870 -0.068 0.000 1.083 328 L CA 1.730 56.508 54.840 -0.104 0.000 0.752 328 L CB -0.736 41.329 42.059 0.010 0.000 0.899 328 L HN 0.172 nan 8.230 nan 0.000 0.433 329 K N 0.230 120.608 120.400 -0.038 0.000 2.032 329 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 329 K C 1.904 178.485 176.600 -0.032 0.000 1.048 329 K CA 1.760 58.040 56.287 -0.012 0.000 0.927 329 K CB -0.038 32.474 32.500 0.020 0.000 0.712 329 K HN 0.094 nan 8.250 nan 0.000 0.441 330 V N 0.483 120.356 119.914 -0.068 0.000 2.453 330 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 330 V C 2.084 178.122 176.094 -0.092 0.000 1.048 330 V CA 1.687 63.959 62.300 -0.048 0.000 1.049 330 V CB -0.709 31.105 31.823 -0.014 0.000 0.672 330 V HN 0.370 nan 8.190 nan 0.000 0.457 331 Y N 1.051 121.094 120.300 -0.428 0.000 2.145 331 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 331 Y C 2.683 178.496 175.900 -0.144 0.000 1.145 331 Y CA 2.124 59.980 58.100 -0.407 0.000 1.148 331 Y CB -0.045 38.047 38.460 -0.614 0.000 0.981 331 Y HN 0.234 nan 8.280 nan 0.000 0.507 332 E N 0.315 120.525 120.200 0.017 0.000 2.110 332 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 332 E C 2.204 178.764 176.600 -0.068 0.000 0.988 332 E CA 1.215 57.614 56.400 -0.002 0.000 0.804 332 E CB -0.167 29.550 29.700 0.028 0.000 0.745 332 E HN 0.451 nan 8.360 nan 0.000 0.458 333 K N 0.115 120.476 120.400 -0.065 0.000 2.113 333 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 333 K C 1.274 177.727 176.600 -0.244 0.000 1.047 333 K CA 1.683 57.894 56.287 -0.127 0.000 0.928 333 K CB -0.095 32.341 32.500 -0.107 0.000 0.716 333 K HN 0.199 nan 8.250 nan 0.000 0.446 334 H N -0.721 118.230 119.070 -0.198 0.000 2.551 334 H HA 0.233 4.789 4.556 -0.000 0.000 0.271 334 H C -0.056 175.128 175.328 -0.241 0.000 0.984 334 H CA -0.124 55.798 56.048 -0.210 0.000 1.164 334 H CB 0.696 30.310 29.762 -0.246 0.000 1.437 334 H HN -0.040 nan 8.280 nan 0.000 0.550 335 S N 0.938 116.540 115.700 -0.163 0.000 2.533 335 S HA 0.567 5.037 4.470 -0.000 0.000 0.282 335 S C 0.155 174.708 174.600 -0.078 0.000 1.304 335 S CA 0.240 58.350 58.200 -0.151 0.000 1.063 335 S CB 0.379 63.521 63.200 -0.097 0.000 0.881 335 S HN 0.582 nan 8.310 nan 0.000 0.493 336 A N 0.000 122.786 122.820 -0.057 0.000 2.254 336 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 336 A CA 0.000 nan 52.037 nan 0.000 0.836 336 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 336 A HN 0.000 nan 8.150 nan 0.000 0.486