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 2bld_1_C DATA FIRST_RESID 52 DATA SEQUENCE RNSIRYSELA PLFDTTRVYL VDNKSTDVAS LNYQNDHSNF LTTVIQNNDY DATA SEQUENCE SPGEASTQTI NLDDRSHWGG DLKTILHTNM PNVNEFMFTN KFKARVMVSR DATA SEQUENCE SLTKDKQVEL KYEWVEFTLP EGNYSETMTI DLMNNAIVEH YLKVGRQNGV DATA SEQUENCE LESDIGVKFD TRNFRLGFDP VTGLVMPGVY TNEAFHPDII LLPGCGVDFT DATA SEQUENCE HSRLSNLLGI RKRQPFQEGF RITYDDLEGG NIPALLDVDA YQASLXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXKKPVIKP LTEDSKKRSY NLISNDSTFT DATA SEQUENCE QYRSWYLAYN YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF DATA SEQUENCE RSTSQISNFP VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE DATA SEQUENCE NQILARPPAP TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC DATA SEQUENCE PYVYKALGIV SPRVLSSR 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 52 R HA 0.000 nan 4.340 nan 0.000 0.208 52 R C 0.000 176.246 176.300 -0.090 0.000 0.893 52 R CA 0.000 56.036 56.100 -0.107 0.000 0.921 52 R CB 0.000 30.217 30.300 -0.138 0.000 0.687 53 N N 1.003 119.661 118.700 -0.071 0.000 2.550 53 N HA 0.023 4.763 4.740 -0.000 0.000 0.277 53 N C -0.814 174.854 175.510 0.263 0.000 1.595 53 N CA 0.125 53.207 53.050 0.053 0.000 0.888 53 N CB 0.695 39.131 38.487 -0.085 0.000 1.424 53 N HN 0.200 nan 8.380 nan 0.000 0.501 54 S N 0.622 116.458 115.700 0.227 0.000 2.625 54 S HA 0.652 5.122 4.470 -0.000 0.000 0.258 54 S C 0.377 175.172 174.600 0.324 0.000 1.256 54 S CA -0.316 58.086 58.200 0.337 0.000 0.983 54 S CB 0.863 64.213 63.200 0.251 0.000 1.032 54 S HN 0.310 nan 8.310 nan 0.000 0.572 55 I N 0.587 121.290 120.570 0.222 0.000 2.606 55 I HA 0.272 4.442 4.170 -0.000 0.000 0.275 55 I C -0.697 175.446 176.117 0.044 0.000 1.220 55 I CA -0.263 61.039 61.300 0.004 0.000 1.098 55 I CB 1.429 39.400 38.000 -0.049 0.000 1.321 55 I HN 0.540 nan 8.210 nan 0.000 0.468 56 R N 3.838 124.357 120.500 0.033 0.000 2.598 56 R HA 0.665 5.005 4.340 -0.000 0.000 0.279 56 R C -1.486 174.874 176.300 0.099 0.000 0.984 56 R CA -0.726 55.411 56.100 0.062 0.000 0.999 56 R CB 2.314 32.645 30.300 0.051 0.000 1.114 56 R HN 0.391 nan 8.270 nan 0.000 0.493 57 Y N 1.081 121.354 120.300 -0.046 0.000 2.470 57 Y HA 0.188 4.738 4.550 -0.000 0.000 0.341 57 Y C 0.779 176.650 175.900 -0.049 0.000 1.021 57 Y CA -0.329 57.736 58.100 -0.060 0.000 1.025 57 Y CB 1.577 40.000 38.460 -0.063 0.000 1.266 57 Y HN 0.837 nan 8.280 nan 0.000 0.448 58 S N 3.162 118.334 115.700 -0.880 0.000 4.116 58 S HA -0.379 4.091 4.470 -0.000 0.000 0.538 58 S C 0.417 174.792 174.600 -0.375 0.000 0.935 58 S CA 2.275 60.037 58.200 -0.730 0.000 3.405 58 S CB -1.124 61.422 63.200 -1.089 0.000 2.341 58 S HN 0.892 nan 8.310 nan 0.000 0.475 59 E N 1.014 121.025 120.200 -0.315 0.000 2.795 59 E HA 0.614 4.964 4.350 -0.000 0.000 0.226 59 E C -1.143 175.435 176.600 -0.037 0.000 1.088 59 E CA -0.245 56.084 56.400 -0.118 0.000 0.812 59 E CB 0.131 29.791 29.700 -0.067 0.000 1.328 59 E HN 0.465 nan 8.360 nan 0.000 0.410 60 L N 1.101 122.327 121.223 0.005 0.000 2.479 60 L HA 0.637 4.977 4.340 -0.000 0.000 0.255 60 L C -0.181 176.711 176.870 0.037 0.000 1.026 60 L CA -1.222 53.658 54.840 0.066 0.000 0.842 60 L CB 1.870 44.035 42.059 0.177 0.000 1.444 60 L HN 0.400 nan 8.230 nan 0.000 0.409 61 A N 1.774 124.603 122.820 0.015 0.000 2.561 61 A HA 0.377 4.697 4.320 -0.000 0.000 0.234 61 A C -2.382 175.176 177.584 -0.043 0.000 1.055 61 A CA -0.375 51.648 52.037 -0.022 0.000 0.756 61 A CB -0.794 18.175 19.000 -0.052 0.000 0.986 61 A HN 0.368 nan 8.150 nan 0.000 0.505 62 P HA 0.398 nan 4.420 nan 0.000 0.275 62 P C -0.766 176.350 177.300 -0.306 0.000 1.228 62 P CA -0.022 63.052 63.100 -0.044 0.000 0.786 62 P CB 0.590 32.371 31.700 0.135 0.000 0.927 63 L N 2.672 123.781 121.223 -0.190 0.000 2.330 63 L HA 0.572 4.912 4.340 -0.000 0.000 0.271 63 L C -0.232 176.640 176.870 0.003 0.000 1.013 63 L CA -0.684 53.992 54.840 -0.273 0.000 0.816 63 L CB 1.037 43.041 42.059 -0.092 0.000 1.287 63 L HN 0.324 nan 8.230 nan 0.000 0.435 64 F N -0.092 119.895 119.950 0.063 0.000 2.563 64 F HA 0.357 4.884 4.527 -0.000 0.000 0.316 64 F C 0.390 176.258 175.800 0.113 0.000 1.076 64 F CA -0.849 57.209 58.000 0.098 0.000 0.921 64 F CB 1.950 40.994 39.000 0.073 0.000 1.209 64 F HN 0.568 nan 8.300 nan 0.000 0.462 65 D N -0.354 120.282 120.400 0.393 0.000 2.332 65 D HA -0.219 4.421 4.640 -0.000 0.000 0.166 65 D C 0.255 176.721 176.300 0.277 0.000 1.574 65 D CA 2.073 56.232 54.000 0.265 0.000 1.598 65 D CB -0.681 40.221 40.800 0.169 0.000 1.354 65 D HN 0.669 nan 8.370 nan 0.000 0.481 66 T N -2.448 112.245 114.554 0.231 0.000 2.737 66 T HA 0.454 4.804 4.350 -0.000 0.000 0.312 66 T C -1.296 173.442 174.700 0.064 0.000 1.857 66 T CA 0.670 62.869 62.100 0.165 0.000 0.999 66 T CB 1.533 70.471 68.868 0.117 0.000 1.854 66 T HN 0.353 nan 8.240 nan 0.000 0.513 67 T N 0.541 115.097 114.554 0.004 0.000 2.686 67 T HA 0.543 4.893 4.350 -0.000 0.000 0.289 67 T C -2.039 172.588 174.700 -0.122 0.000 1.783 67 T CA -0.557 61.511 62.100 -0.053 0.000 0.966 67 T CB 0.671 69.498 68.868 -0.067 0.000 2.034 67 T HN 0.779 nan 8.240 nan 0.000 0.436 68 R N 0.983 121.362 120.500 -0.201 0.000 2.564 68 R HA 0.623 4.963 4.340 -0.000 0.000 0.284 68 R C -1.095 174.905 176.300 -0.500 0.000 1.031 68 R CA -0.807 55.058 56.100 -0.392 0.000 0.904 68 R CB 2.123 32.089 30.300 -0.556 0.000 1.199 68 R HN 0.645 nan 8.270 nan 0.000 0.443 69 V N -0.037 119.604 119.914 -0.454 0.000 2.483 69 V HA 0.617 4.737 4.120 -0.000 0.000 0.295 69 V C -1.031 174.844 176.094 -0.364 0.000 1.035 69 V CA -0.823 61.288 62.300 -0.315 0.000 0.896 69 V CB 1.167 32.872 31.823 -0.196 0.000 0.986 69 V HN 0.591 nan 8.190 nan 0.000 0.447 70 Y N 3.990 124.253 120.300 -0.062 0.000 2.335 70 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 70 Y C -0.001 175.884 175.900 -0.025 0.000 0.977 70 Y CA -0.830 57.246 58.100 -0.041 0.000 1.114 70 Y CB 1.913 40.354 38.460 -0.032 0.000 1.182 70 Y HN 0.559 nan 8.280 nan 0.000 0.463 71 L N 5.186 126.492 121.223 0.138 0.000 2.262 71 L HA 0.661 5.001 4.340 -0.000 0.000 0.288 71 L C -0.686 176.288 176.870 0.174 0.000 1.035 71 L CA -0.780 54.125 54.840 0.109 0.000 0.820 71 L CB 1.050 43.138 42.059 0.048 0.000 1.204 71 L HN 0.450 nan 8.230 nan 0.000 0.424 72 V N 3.039 123.067 119.914 0.190 0.000 2.851 72 V HA 0.280 4.400 4.120 -0.000 0.000 0.307 72 V C -0.117 176.076 176.094 0.163 0.000 1.129 72 V CA -0.547 61.846 62.300 0.155 0.000 0.932 72 V CB 2.170 34.023 31.823 0.051 0.000 1.024 72 V HN 0.804 nan 8.190 nan 0.000 0.426 73 D N 3.670 124.057 120.400 -0.022 0.000 2.103 73 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 73 D C 1.304 177.497 176.300 -0.178 0.000 0.978 73 D CA 1.826 55.649 54.000 -0.296 0.000 0.829 73 D CB -0.509 39.676 40.800 -1.025 0.000 0.981 73 D HN 0.742 nan 8.370 nan 0.000 0.464 74 N N 0.866 119.455 118.700 -0.184 0.000 2.089 74 N HA -0.180 4.560 4.740 -0.000 0.000 0.198 74 N C 0.021 175.507 175.510 -0.040 0.000 1.017 74 N CA 1.097 54.084 53.050 -0.105 0.000 0.880 74 N CB -0.390 38.039 38.487 -0.096 0.000 1.042 74 N HN 0.181 nan 8.380 nan 0.000 0.446 75 K N 1.293 121.679 120.400 -0.023 0.000 2.490 75 K HA -0.148 4.172 4.320 -0.000 0.000 0.264 75 K C 0.767 177.374 176.600 0.012 0.000 1.027 75 K CA -0.067 56.220 56.287 -0.000 0.000 1.139 75 K CB 0.216 32.728 32.500 0.020 0.000 0.792 75 K HN 0.212 nan 8.250 nan 0.000 0.479 76 S N 1.980 117.686 115.700 0.011 0.000 2.368 76 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 76 S C 2.181 176.799 174.600 0.030 0.000 1.030 76 S CA 1.922 60.134 58.200 0.020 0.000 0.999 76 S CB -0.290 62.919 63.200 0.015 0.000 0.844 76 S HN 0.878 nan 8.310 nan 0.000 0.459 77 T N 2.386 116.958 114.554 0.030 0.000 2.643 77 T HA -0.214 4.136 4.350 -0.000 0.000 0.264 77 T C 1.663 176.390 174.700 0.045 0.000 1.045 77 T CA 1.628 63.749 62.100 0.035 0.000 1.155 77 T CB -0.982 67.908 68.868 0.037 0.000 0.863 77 T HN 0.535 nan 8.240 nan 0.000 0.420 78 D N 1.717 122.149 120.400 0.053 0.000 2.144 78 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 78 D C 2.199 178.548 176.300 0.083 0.000 0.984 78 D CA 0.957 54.998 54.000 0.068 0.000 0.834 78 D CB -1.066 39.781 40.800 0.079 0.000 0.955 78 D HN 0.419 nan 8.370 nan 0.000 0.465 79 V N 1.548 121.509 119.914 0.077 0.000 2.287 79 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 79 V C 2.886 179.050 176.094 0.116 0.000 1.053 79 V CA 2.089 64.444 62.300 0.092 0.000 1.027 79 V CB -1.131 30.732 31.823 0.068 0.000 0.646 79 V HN 0.434 nan 8.190 nan 0.000 0.447 80 A N 0.686 123.558 122.820 0.086 0.000 1.842 80 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 80 A C 2.442 180.058 177.584 0.053 0.000 1.206 80 A CA 3.178 55.260 52.037 0.076 0.000 0.630 80 A CB -1.058 17.967 19.000 0.043 0.000 0.839 80 A HN 0.681 nan 8.150 nan 0.000 0.447 81 S N 0.250 115.971 115.700 0.036 0.000 2.365 81 S HA 0.024 4.494 4.470 -0.000 0.000 0.194 81 S C 1.731 176.355 174.600 0.041 0.000 1.093 81 S CA 0.920 59.127 58.200 0.012 0.000 1.224 81 S CB -1.358 61.852 63.200 0.017 0.000 0.961 81 S HN 0.428 nan 8.310 nan 0.000 0.412 82 L N 2.322 123.582 121.223 0.062 0.000 2.158 82 L HA -0.225 4.115 4.340 -0.000 0.000 0.249 82 L C 1.069 178.016 176.870 0.128 0.000 1.097 82 L CA 1.589 56.481 54.840 0.086 0.000 0.844 82 L CB -1.613 40.502 42.059 0.093 0.000 0.940 82 L HN 0.498 nan 8.230 nan 0.000 0.436 83 N N -0.923 117.873 118.700 0.159 0.000 2.381 83 N HA -0.002 4.738 4.740 -0.000 0.000 0.241 83 N C 0.044 175.703 175.510 0.248 0.000 1.279 83 N CA 0.456 53.618 53.050 0.187 0.000 0.896 83 N CB 1.335 39.936 38.487 0.191 0.000 1.118 83 N HN 0.495 nan 8.380 nan 0.000 0.438 84 Y N -0.413 119.914 120.300 0.045 0.000 2.980 84 Y HA -0.021 4.529 4.550 -0.000 0.000 0.142 84 Y C 0.597 176.505 175.900 0.013 0.000 0.999 84 Y CA 0.086 58.200 58.100 0.024 0.000 1.833 84 Y CB -0.090 38.383 38.460 0.021 0.000 1.290 84 Y HN 0.466 nan 8.280 nan 0.000 0.258 85 Q N 1.997 121.871 119.800 0.123 0.000 2.373 85 Q HA 0.168 4.508 4.340 -0.000 0.000 0.206 85 Q C -0.304 175.698 176.000 0.003 0.000 0.942 85 Q CA 0.166 55.975 55.803 0.010 0.000 0.953 85 Q CB 0.043 28.840 28.738 0.098 0.000 1.022 85 Q HN 0.307 nan 8.270 nan 0.000 0.502 86 N N 1.298 120.017 118.700 0.032 0.000 2.604 86 N HA 0.285 5.025 4.740 -0.000 0.000 0.297 86 N C -0.635 174.875 175.510 -0.000 0.000 1.266 86 N CA -0.184 52.896 53.050 0.050 0.000 0.961 86 N CB 1.098 39.666 38.487 0.135 0.000 1.166 86 N HN 0.067 nan 8.380 nan 0.000 0.601 87 D N -3.280 117.138 120.400 0.030 0.000 2.626 87 D HA 0.147 4.787 4.640 -0.000 0.000 0.278 87 D C -0.983 175.360 176.300 0.072 0.000 1.211 87 D CA -0.571 53.398 54.000 -0.052 0.000 0.903 87 D CB 0.200 40.921 40.800 -0.132 0.000 1.408 87 D HN 0.414 nan 8.370 nan 0.000 0.454 88 H N -0.160 118.830 119.070 -0.132 0.000 4.757 88 H HA 0.299 4.855 4.556 -0.000 0.000 0.167 88 H C -0.032 175.298 175.328 0.003 0.000 1.205 88 H CA 0.130 56.064 56.048 -0.191 0.000 1.354 88 H CB 0.008 29.631 29.762 -0.232 0.000 1.570 88 H HN 0.333 nan 8.280 nan 0.000 0.884 89 S N 1.178 117.041 115.700 0.272 0.000 2.474 89 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 89 S C -0.604 174.104 174.600 0.180 0.000 0.880 89 S CA -0.483 57.813 58.200 0.160 0.000 1.579 89 S CB 0.195 63.409 63.200 0.023 0.000 1.264 89 S HN 0.548 nan 8.310 nan 0.000 0.616 90 N N 1.114 119.999 118.700 0.309 0.000 3.151 90 N HA 0.352 5.092 4.740 -0.000 0.000 0.219 90 N C -1.046 174.648 175.510 0.308 0.000 1.434 90 N CA -0.283 52.891 53.050 0.205 0.000 0.767 90 N CB 0.130 38.693 38.487 0.127 0.000 1.564 90 N HN 0.387 nan 8.380 nan 0.000 0.612 91 F N 0.303 120.287 119.950 0.056 0.000 2.664 91 F HA 0.746 5.273 4.527 -0.000 0.000 0.317 91 F C -1.343 174.484 175.800 0.044 0.000 1.108 91 F CA -1.120 56.915 58.000 0.057 0.000 0.957 91 F CB 1.317 40.357 39.000 0.067 0.000 1.365 91 F HN -0.054 nan 8.300 nan 0.000 0.475 92 L N 0.914 122.254 121.223 0.195 0.000 2.332 92 L HA 0.838 5.178 4.340 -0.000 0.000 0.269 92 L C -0.380 176.591 176.870 0.168 0.000 1.016 92 L CA -0.864 54.008 54.840 0.053 0.000 0.809 92 L CB 2.084 44.185 42.059 0.069 0.000 1.280 92 L HN 0.937 nan 8.230 nan 0.000 0.447 93 T N -0.440 114.157 114.554 0.072 0.000 2.957 93 T HA 0.352 4.702 4.350 -0.000 0.000 0.336 93 T C -0.896 173.834 174.700 0.049 0.000 1.462 93 T CA -0.510 61.661 62.100 0.118 0.000 1.073 93 T CB 1.557 70.537 68.868 0.186 0.000 1.319 93 T HN 0.761 nan 8.240 nan 0.000 0.485 94 T N 1.279 115.864 114.554 0.051 0.000 2.845 94 T HA 0.522 4.872 4.350 -0.000 0.000 0.288 94 T C 1.185 175.894 174.700 0.016 0.000 0.980 94 T CA -0.589 61.526 62.100 0.024 0.000 1.071 94 T CB 1.230 70.116 68.868 0.029 0.000 0.941 94 T HN 0.369 nan 8.240 nan 0.000 0.487 95 V N 3.211 123.118 119.914 -0.012 0.000 3.506 95 V HA 0.008 4.128 4.120 -0.000 0.000 0.263 95 V C 2.336 178.399 176.094 -0.051 0.000 1.203 95 V CA 0.033 62.320 62.300 -0.022 0.000 1.133 95 V CB -0.818 30.973 31.823 -0.053 0.000 0.802 95 V HN 0.804 nan 8.190 nan 0.000 0.459 96 I N 0.165 120.698 120.570 -0.062 0.000 2.113 96 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 96 I C 1.794 177.845 176.117 -0.110 0.000 1.064 96 I CA 1.445 62.676 61.300 -0.114 0.000 1.320 96 I CB -0.975 36.996 38.000 -0.048 0.000 1.028 96 I HN 0.420 nan 8.210 nan 0.000 0.406 97 Q N -0.140 119.641 119.800 -0.032 0.000 2.452 97 Q HA -0.255 4.085 4.340 -0.000 0.000 0.248 97 Q C 0.250 176.246 176.000 -0.008 0.000 0.874 97 Q CA 0.854 56.647 55.803 -0.018 0.000 1.208 97 Q CB -2.733 25.999 28.738 -0.011 0.000 1.569 97 Q HN 0.817 nan 8.270 nan 0.000 0.579 98 N N 0.614 119.331 118.700 0.028 0.000 2.444 98 N HA 0.144 4.884 4.740 -0.000 0.000 0.262 98 N C 1.184 176.778 175.510 0.140 0.000 0.974 98 N CA -0.111 53.001 53.050 0.104 0.000 0.933 98 N CB 0.541 39.160 38.487 0.219 0.000 1.137 98 N HN 0.100 nan 8.380 nan 0.000 0.498 99 N N 3.647 122.401 118.700 0.090 0.000 2.133 99 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 99 N C -0.326 175.223 175.510 0.065 0.000 1.012 99 N CA 1.509 54.597 53.050 0.063 0.000 0.871 99 N CB -0.023 38.484 38.487 0.033 0.000 1.011 99 N HN 0.673 nan 8.380 nan 0.000 0.435 100 D N -0.588 119.854 120.400 0.071 0.000 2.398 100 D HA 0.074 4.714 4.640 -0.000 0.000 0.264 100 D C -0.081 176.262 176.300 0.073 0.000 1.263 100 D CA 0.054 54.017 54.000 -0.062 0.000 1.037 100 D CB -0.009 40.598 40.800 -0.322 0.000 1.101 100 D HN 0.212 nan 8.370 nan 0.000 0.551 101 Y N -1.066 119.252 120.300 0.030 0.000 2.611 101 Y HA -0.230 4.320 4.550 -0.000 0.000 0.032 101 Y C 0.491 176.407 175.900 0.027 0.000 1.807 101 Y CA -0.379 57.740 58.100 0.032 0.000 1.343 101 Y CB -1.325 37.167 38.460 0.052 0.000 1.994 101 Y HN 0.168 nan 8.280 nan 0.000 0.270 102 S N 4.989 120.787 115.700 0.164 0.000 2.533 102 S HA 0.371 4.841 4.470 -0.000 0.000 0.282 102 S C -2.097 172.565 174.600 0.104 0.000 1.304 102 S CA -1.224 57.037 58.200 0.100 0.000 1.063 102 S CB 1.190 64.430 63.200 0.068 0.000 0.881 102 S HN 0.458 nan 8.310 nan 0.000 0.493 103 P HA 0.156 nan 4.420 nan 0.000 0.269 103 P C 1.256 178.589 177.300 0.054 0.000 1.211 103 P CA 1.125 64.263 63.100 0.064 0.000 0.781 103 P CB 0.063 31.795 31.700 0.053 0.000 0.877 104 G N 1.768 110.594 108.800 0.043 0.000 3.909 104 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 104 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 104 G C 1.214 176.136 174.900 0.036 0.000 1.404 104 G CA 0.549 45.669 45.100 0.034 0.000 0.905 104 G HN 0.611 nan 8.290 nan 0.000 0.589 105 E N 1.773 122.007 120.200 0.056 0.000 2.265 105 E HA 0.201 4.551 4.350 -0.000 0.000 0.196 105 E C 2.638 179.266 176.600 0.046 0.000 0.996 105 E CA 1.728 58.169 56.400 0.068 0.000 0.832 105 E CB -0.345 29.427 29.700 0.121 0.000 0.756 105 E HN 0.896 nan 8.360 nan 0.000 0.491 106 A N 0.776 123.624 122.820 0.047 0.000 1.872 106 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 106 A C 2.335 179.911 177.584 -0.013 0.000 1.187 106 A CA 1.553 53.592 52.037 0.003 0.000 0.614 106 A CB -0.988 18.033 19.000 0.035 0.000 0.826 106 A HN 0.382 nan 8.150 nan 0.000 0.442 107 S N -0.415 115.287 115.700 0.005 0.000 2.428 107 S HA -0.229 4.241 4.470 -0.000 0.000 0.240 107 S C 1.871 176.464 174.600 -0.011 0.000 1.036 107 S CA 2.519 60.718 58.200 -0.001 0.000 1.009 107 S CB -0.831 62.373 63.200 0.007 0.000 0.803 107 S HN 0.606 nan 8.310 nan 0.000 0.486 108 T N 1.759 116.304 114.554 -0.015 0.000 2.737 108 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 108 T C 1.031 175.706 174.700 -0.041 0.000 1.038 108 T CA 0.913 62.998 62.100 -0.024 0.000 1.144 108 T CB -0.277 68.578 68.868 -0.022 0.000 0.866 108 T HN 0.613 nan 8.240 nan 0.000 0.434 109 Q N 1.263 121.025 119.800 -0.063 0.000 2.700 109 Q HA 0.311 4.651 4.340 -0.000 0.000 0.232 109 Q C 0.108 176.106 176.000 -0.003 0.000 1.110 109 Q CA 0.274 56.041 55.803 -0.062 0.000 1.026 109 Q CB 0.390 29.088 28.738 -0.067 0.000 1.311 109 Q HN 0.510 nan 8.270 nan 0.000 0.583 110 T N -2.710 111.864 114.554 0.033 0.000 2.942 110 T HA 0.541 4.891 4.350 -0.000 0.000 0.327 110 T C -0.746 174.006 174.700 0.086 0.000 1.360 110 T CA -0.819 61.301 62.100 0.032 0.000 1.055 110 T CB 0.555 69.417 68.868 -0.010 0.000 1.261 110 T HN 0.407 nan 8.240 nan 0.000 0.485 111 I N 3.067 123.651 120.570 0.024 0.000 2.325 111 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 111 I C -0.238 175.838 176.117 -0.068 0.000 1.019 111 I CA -0.864 60.433 61.300 -0.005 0.000 1.302 111 I CB 0.744 38.686 38.000 -0.097 0.000 1.401 111 I HN 0.560 nan 8.210 nan 0.000 0.485 112 N N 8.342 127.003 118.700 -0.065 0.000 2.444 112 N HA 0.419 5.159 4.740 -0.000 0.000 0.262 112 N C -0.759 174.629 175.510 -0.204 0.000 0.974 112 N CA -0.478 52.508 53.050 -0.107 0.000 0.933 112 N CB 2.189 40.647 38.487 -0.049 0.000 1.137 112 N HN 0.422 nan 8.380 nan 0.000 0.498 113 L N 1.121 122.128 121.223 -0.360 0.000 2.276 113 L HA 0.184 4.524 4.340 -0.000 0.000 0.286 113 L C 0.849 177.584 176.870 -0.225 0.000 1.061 113 L CA -0.837 53.555 54.840 -0.746 0.000 0.807 113 L CB 0.580 41.679 42.059 -1.600 0.000 1.177 113 L HN 0.370 nan 8.230 nan 0.000 0.429 114 D N 2.430 122.896 120.400 0.110 0.000 2.973 114 D HA -0.222 4.418 4.640 -0.000 0.000 0.214 114 D C 0.805 177.299 176.300 0.324 0.000 1.079 114 D CA 0.601 54.777 54.000 0.293 0.000 0.797 114 D CB 0.725 41.761 40.800 0.393 0.000 1.168 114 D HN 0.580 nan 8.370 nan 0.000 0.515 115 D N 3.256 123.746 120.400 0.150 0.000 2.149 115 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 115 D C 1.538 177.869 176.300 0.051 0.000 0.972 115 D CA 0.661 54.719 54.000 0.098 0.000 0.835 115 D CB 0.185 41.013 40.800 0.046 0.000 0.966 115 D HN 0.485 nan 8.370 nan 0.000 0.476 116 R N -0.071 120.446 120.500 0.029 0.000 2.377 116 R HA 0.047 4.387 4.340 -0.000 0.000 0.207 116 R C 0.380 176.605 176.300 -0.125 0.000 1.075 116 R CA 0.313 56.385 56.100 -0.047 0.000 1.035 116 R CB 0.085 30.361 30.300 -0.041 0.000 0.857 116 R HN -0.024 nan 8.270 nan 0.000 0.475 117 S N -0.307 115.327 115.700 -0.111 0.000 2.570 117 S HA 0.320 4.790 4.470 -0.000 0.000 0.286 117 S C -0.961 173.487 174.600 -0.253 0.000 1.099 117 S CA -0.929 57.103 58.200 -0.279 0.000 0.913 117 S CB 1.949 64.890 63.200 -0.431 0.000 1.085 117 S HN 0.127 nan 8.310 nan 0.000 0.480 118 H N 0.659 119.662 119.070 -0.113 0.000 2.668 118 H HA 0.254 4.810 4.556 -0.000 0.000 0.303 118 H C -0.919 174.369 175.328 -0.067 0.000 1.074 118 H CA -0.251 55.796 56.048 -0.001 0.000 1.406 118 H CB 0.323 30.081 29.762 -0.007 0.000 1.442 118 H HN 0.527 nan 8.280 nan 0.000 0.482 119 W N 1.592 122.953 121.300 0.102 0.000 2.390 119 W HA 0.544 5.204 4.660 -0.000 0.000 0.362 119 W C 0.656 177.194 176.519 0.033 0.000 1.206 119 W CA -0.388 56.985 57.345 0.047 0.000 1.355 119 W CB 1.187 30.660 29.460 0.021 0.000 1.278 119 W HN 0.663 nan 8.180 nan 0.000 0.653 120 G N -0.788 108.190 108.800 0.297 0.000 2.692 120 G HA2 0.630 4.590 3.960 -0.000 0.000 0.291 120 G HA3 0.630 4.590 3.960 -0.000 0.000 0.291 120 G C -1.549 173.433 174.900 0.138 0.000 1.423 120 G CA -0.641 44.551 45.100 0.153 0.000 0.843 120 G HN 0.723 nan 8.290 nan 0.000 0.486 121 G N -0.226 108.612 108.800 0.063 0.000 2.682 121 G HA2 0.564 4.524 3.960 -0.000 0.000 0.300 121 G HA3 0.564 4.524 3.960 -0.000 0.000 0.300 121 G C -1.325 173.572 174.900 -0.004 0.000 1.391 121 G CA -0.646 44.472 45.100 0.029 0.000 0.990 121 G HN 0.433 nan 8.290 nan 0.000 0.501 122 D N 0.515 120.907 120.400 -0.013 0.000 2.350 122 D HA 0.252 4.892 4.640 -0.000 0.000 0.249 122 D C -0.537 175.734 176.300 -0.048 0.000 1.119 122 D CA 0.106 54.091 54.000 -0.024 0.000 0.886 122 D CB 2.728 43.514 40.800 -0.023 0.000 1.195 122 D HN 0.187 nan 8.370 nan 0.000 0.437 123 L N 2.823 124.019 121.223 -0.045 0.000 2.388 123 L HA 0.235 4.575 4.340 -0.000 0.000 0.267 123 L C -0.647 176.194 176.870 -0.049 0.000 0.995 123 L CA -0.565 54.229 54.840 -0.077 0.000 0.864 123 L CB 0.686 42.672 42.059 -0.123 0.000 1.216 123 L HN 0.165 nan 8.230 nan 0.000 0.430 124 K N 2.602 122.958 120.400 -0.072 0.000 2.156 124 K HA 0.847 5.167 4.320 -0.000 0.000 0.254 124 K C -0.454 176.088 176.600 -0.097 0.000 0.950 124 K CA -0.671 55.570 56.287 -0.075 0.000 0.849 124 K CB 1.748 34.211 32.500 -0.062 0.000 1.100 124 K HN 0.572 nan 8.250 nan 0.000 0.434 125 T N -1.583 112.911 114.554 -0.099 0.000 2.901 125 T HA 0.606 4.956 4.350 -0.000 0.000 0.293 125 T C -0.314 174.423 174.700 0.060 0.000 1.084 125 T CA -0.958 61.084 62.100 -0.097 0.000 1.008 125 T CB 0.907 69.528 68.868 -0.413 0.000 1.170 125 T HN 0.508 nan 8.240 nan 0.000 0.509 126 I N 2.135 122.790 120.570 0.141 0.000 2.420 126 I HA 0.428 4.598 4.170 -0.000 0.000 0.282 126 I C -1.228 175.046 176.117 0.262 0.000 1.019 126 I CA -0.895 60.500 61.300 0.158 0.000 1.130 126 I CB 1.544 39.599 38.000 0.090 0.000 1.262 126 I HN 0.476 nan 8.210 nan 0.000 0.454 127 L N 7.058 128.463 121.223 0.304 0.000 2.329 127 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 127 L C -0.967 176.073 176.870 0.283 0.000 1.014 127 L CA -0.070 54.960 54.840 0.316 0.000 0.814 127 L CB 1.355 43.638 42.059 0.372 0.000 1.257 127 L HN 0.527 nan 8.230 nan 0.000 0.424 128 H N 2.945 122.087 119.070 0.121 0.000 2.934 128 H HA 0.476 5.032 4.556 -0.000 0.000 0.340 128 H C -1.046 174.385 175.328 0.172 0.000 1.008 128 H CA -0.132 55.998 56.048 0.136 0.000 1.317 128 H CB 1.426 31.282 29.762 0.157 0.000 1.670 128 H HN 0.844 nan 8.280 nan 0.000 0.516 129 T N 1.011 115.564 114.554 -0.001 0.000 2.780 129 T HA 0.333 4.683 4.350 -0.000 0.000 0.263 129 T C 0.227 174.823 174.700 -0.172 0.000 0.993 129 T CA -0.655 61.425 62.100 -0.035 0.000 1.010 129 T CB 1.078 69.996 68.868 0.084 0.000 1.642 129 T HN 0.846 nan 8.240 nan 0.000 0.587 130 N N -1.169 117.538 118.700 0.012 0.000 3.444 130 N HA 0.055 4.795 4.740 -0.000 0.000 0.148 130 N C -0.799 174.796 175.510 0.141 0.000 1.071 130 N CA -0.429 52.636 53.050 0.025 0.000 2.391 130 N CB -0.258 38.204 38.487 -0.042 0.000 1.507 130 N HN 0.612 nan 8.380 nan 0.000 0.732 131 M N 1.378 121.011 119.600 0.056 0.000 2.216 131 M HA 0.471 4.951 4.480 -0.000 0.000 0.356 131 M C -2.668 173.545 176.300 -0.145 0.000 1.205 131 M CA -1.120 54.022 55.300 -0.264 0.000 1.122 131 M CB 1.003 33.365 32.600 -0.396 0.000 1.571 131 M HN -0.016 nan 8.290 nan 0.000 0.464 132 P HA 0.143 nan 4.420 nan 0.000 0.275 132 P C -0.215 176.854 177.300 -0.385 0.000 1.227 132 P CA 0.017 63.044 63.100 -0.122 0.000 0.781 132 P CB 0.502 32.150 31.700 -0.086 0.000 0.906 133 N N 1.786 120.013 118.700 -0.788 0.000 2.036 133 N HA -0.151 4.589 4.740 -0.000 0.000 0.199 133 N C -0.339 174.928 175.510 -0.406 0.000 1.036 133 N CA 1.070 53.759 53.050 -0.600 0.000 0.870 133 N CB 0.048 37.968 38.487 -0.946 0.000 1.055 133 N HN 0.100 nan 8.380 nan 0.000 0.436 134 V N 1.840 121.487 119.914 -0.444 0.000 2.313 134 V HA 0.315 4.435 4.120 -0.000 0.000 0.278 134 V C -0.712 175.299 176.094 -0.138 0.000 1.017 134 V CA -0.782 61.380 62.300 -0.230 0.000 0.823 134 V CB 0.813 32.524 31.823 -0.187 0.000 1.010 134 V HN 0.482 nan 8.190 nan 0.000 0.443 135 N N 2.321 120.977 118.700 -0.073 0.000 2.774 135 N HA 0.285 5.025 4.740 -0.000 0.000 0.264 135 N C 0.497 176.069 175.510 0.102 0.000 1.415 135 N CA -0.881 52.184 53.050 0.026 0.000 0.815 135 N CB 1.637 40.141 38.487 0.028 0.000 1.514 135 N HN 0.347 nan 8.380 nan 0.000 0.523 136 E N -0.518 119.787 120.200 0.175 0.000 2.072 136 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 136 E C 1.099 177.860 176.600 0.269 0.000 0.982 136 E CA 0.752 57.283 56.400 0.220 0.000 0.803 136 E CB -0.184 29.635 29.700 0.199 0.000 0.755 136 E HN 0.508 nan 8.360 nan 0.000 0.453 137 F N 0.747 120.755 119.950 0.097 0.000 2.171 137 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 137 F C 1.838 177.479 175.800 -0.265 0.000 1.090 137 F CA 1.150 59.139 58.000 -0.018 0.000 1.293 137 F CB 0.029 39.087 39.000 0.097 0.000 1.013 137 F HN 0.056 nan 8.300 nan 0.000 0.486 138 M N -0.482 118.866 119.600 -0.421 0.000 2.556 138 M HA 0.095 4.575 4.480 -0.000 0.000 0.245 138 M C 0.130 176.260 176.300 -0.283 0.000 1.128 138 M CA 0.323 55.267 55.300 -0.593 0.000 1.069 138 M CB -1.425 30.984 32.600 -0.318 0.000 1.469 138 M HN 0.356 nan 8.290 nan 0.000 0.494 139 F N 0.775 120.658 119.950 -0.112 0.000 2.950 139 F HA -0.245 4.282 4.527 -0.000 0.000 0.334 139 F C 0.637 176.425 175.800 -0.021 0.000 0.979 139 F CA 0.332 58.306 58.000 -0.044 0.000 1.140 139 F CB -2.264 36.709 39.000 -0.045 0.000 1.281 139 F HN 0.287 nan 8.300 nan 0.000 0.734 140 T N -4.062 110.583 114.554 0.152 0.000 3.209 140 T HA 0.093 4.443 4.350 -0.000 0.000 0.295 140 T C 0.904 175.644 174.700 0.066 0.000 0.977 140 T CA 0.330 62.469 62.100 0.064 0.000 0.922 140 T CB 0.058 68.907 68.868 -0.031 0.000 1.152 140 T HN 0.455 nan 8.240 nan 0.000 0.527 141 N N 0.812 119.582 118.700 0.117 0.000 2.184 141 N HA 0.209 4.949 4.740 -0.000 0.000 0.206 141 N C -0.023 175.590 175.510 0.171 0.000 1.151 141 N CA -0.429 52.693 53.050 0.120 0.000 0.878 141 N CB 0.542 39.093 38.487 0.107 0.000 1.014 141 N HN 0.369 nan 8.380 nan 0.000 0.512 142 K N 0.139 120.656 120.400 0.194 0.000 2.433 142 K HA 0.556 4.876 4.320 -0.000 0.000 0.252 142 K C -1.552 175.249 176.600 0.334 0.000 1.015 142 K CA -0.857 55.548 56.287 0.195 0.000 0.860 142 K CB 2.248 34.790 32.500 0.069 0.000 1.359 142 K HN 0.106 nan 8.250 nan 0.000 0.452 143 F N -1.407 118.573 119.950 0.050 0.000 2.637 143 F HA 0.325 4.852 4.527 -0.000 0.000 0.316 143 F C -1.721 174.092 175.800 0.022 0.000 1.023 143 F CA -1.094 56.897 58.000 -0.015 0.000 1.071 143 F CB 0.600 39.583 39.000 -0.028 0.000 1.319 143 F HN 0.195 nan 8.300 nan 0.000 0.541 144 K N 3.196 123.532 120.400 -0.108 0.000 2.174 144 K HA 0.872 5.192 4.320 -0.000 0.000 0.275 144 K C -0.522 176.146 176.600 0.114 0.000 1.015 144 K CA -0.433 55.778 56.287 -0.127 0.000 0.933 144 K CB 1.710 34.129 32.500 -0.135 0.000 1.025 144 K HN 0.899 nan 8.250 nan 0.000 0.463 145 A N 2.544 125.525 122.820 0.269 0.000 2.594 145 A HA 0.509 4.829 4.320 -0.000 0.000 0.295 145 A C -1.396 176.356 177.584 0.279 0.000 1.071 145 A CA -0.787 51.507 52.037 0.427 0.000 0.685 145 A CB 1.500 20.826 19.000 0.543 0.000 1.285 145 A HN 0.747 nan 8.150 nan 0.000 0.405 146 R N 0.787 121.232 120.500 -0.092 0.000 2.295 146 R HA 0.622 4.962 4.340 -0.000 0.000 0.324 146 R C -0.572 175.621 176.300 -0.178 0.000 0.968 146 R CA -0.295 55.530 56.100 -0.458 0.000 0.837 146 R CB 1.084 30.578 30.300 -1.344 0.000 1.133 146 R HN 0.972 nan 8.270 nan 0.000 0.450 147 V N 1.240 121.126 119.914 -0.048 0.000 3.158 147 V HA 0.573 4.693 4.120 -0.000 0.000 0.315 147 V C -0.085 176.109 176.094 0.167 0.000 1.148 147 V CA -1.335 61.011 62.300 0.077 0.000 1.042 147 V CB 1.892 33.764 31.823 0.082 0.000 1.101 147 V HN 0.819 nan 8.190 nan 0.000 0.448 148 M N 1.208 120.905 119.600 0.161 0.000 2.185 148 M HA 0.401 4.880 4.480 -0.000 0.000 0.357 148 M C 0.014 176.325 176.300 0.018 0.000 1.260 148 M CA -0.089 55.167 55.300 -0.073 0.000 1.124 148 M CB 1.545 34.023 32.600 -0.203 0.000 1.600 148 M HN 0.699 nan 8.290 nan 0.000 0.467 149 V N 2.168 122.049 119.914 -0.056 0.000 2.690 149 V HA 0.134 4.254 4.120 -0.000 0.000 0.240 149 V C 0.462 176.535 176.094 -0.036 0.000 1.078 149 V CA 0.982 63.296 62.300 0.023 0.000 1.102 149 V CB 0.575 32.413 31.823 0.025 0.000 0.800 149 V HN 0.936 nan 8.190 nan 0.000 0.479 150 S N 0.381 116.018 115.700 -0.104 0.000 2.541 150 S HA 0.743 5.213 4.470 -0.000 0.000 0.280 150 S C -0.871 173.654 174.600 -0.125 0.000 1.112 150 S CA -0.740 57.404 58.200 -0.093 0.000 0.925 150 S CB 2.747 65.905 63.200 -0.070 0.000 1.067 150 S HN 0.334 nan 8.310 nan 0.000 0.479 151 R N 1.558 122.008 120.500 -0.084 0.000 2.360 151 R HA 0.669 5.009 4.340 -0.000 0.000 0.318 151 R C -0.743 175.525 176.300 -0.053 0.000 0.950 151 R CA -0.015 56.039 56.100 -0.077 0.000 0.837 151 R CB 1.267 31.535 30.300 -0.052 0.000 1.165 151 R HN 0.981 nan 8.270 nan 0.000 0.458 152 S N 3.312 118.982 115.700 -0.049 0.000 2.632 152 S HA 0.510 4.980 4.470 -0.000 0.000 0.289 152 S C -1.299 173.285 174.600 -0.027 0.000 1.115 152 S CA -1.003 57.176 58.200 -0.036 0.000 0.889 152 S CB 1.657 64.836 63.200 -0.034 0.000 1.116 152 S HN 0.425 nan 8.310 nan 0.000 0.486 153 L N 2.130 123.340 121.223 -0.022 0.000 2.255 153 L HA 0.661 5.001 4.340 -0.000 0.000 0.289 153 L C -0.549 176.313 176.870 -0.015 0.000 1.046 153 L CA 0.660 55.490 54.840 -0.017 0.000 0.816 153 L CB 0.509 42.559 42.059 -0.015 0.000 1.197 153 L HN 0.976 nan 8.230 nan 0.000 0.427 154 T N 3.300 117.846 114.554 -0.012 0.000 2.901 154 T HA 0.344 4.694 4.350 -0.000 0.000 0.293 154 T C -0.508 174.188 174.700 -0.007 0.000 1.084 154 T CA -0.987 61.107 62.100 -0.010 0.000 1.008 154 T CB 1.771 70.633 68.868 -0.010 0.000 1.170 154 T HN 0.440 nan 8.240 nan 0.000 0.509 155 K N 2.647 123.044 120.400 -0.006 0.000 3.679 155 K HA -0.305 4.015 4.320 -0.000 0.000 0.274 155 K C 0.036 176.633 176.600 -0.004 0.000 0.839 155 K CA 0.766 57.050 56.287 -0.004 0.000 0.663 155 K CB -1.154 31.345 32.500 -0.002 0.000 1.638 155 K HN 0.785 nan 8.250 nan 0.000 0.443 156 D N -1.476 118.922 120.400 -0.005 0.000 4.018 156 D HA -0.252 4.388 4.640 -0.000 0.000 0.207 156 D C 0.860 177.158 176.300 -0.004 0.000 1.219 156 D CA 2.311 56.309 54.000 -0.004 0.000 2.366 156 D CB -0.674 40.124 40.800 -0.003 0.000 1.202 156 D HN 0.577 nan 8.370 nan 0.000 0.414 157 K N 0.537 120.935 120.400 -0.003 0.000 2.412 157 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 157 K C 0.419 177.018 176.600 -0.003 0.000 1.102 157 K CA -0.074 56.211 56.287 -0.003 0.000 1.027 157 K CB 0.780 33.279 32.500 -0.002 0.000 0.931 157 K HN 0.303 nan 8.250 nan 0.000 0.557 158 Q N 1.771 121.569 119.800 -0.003 0.000 2.352 158 Q HA 0.114 4.454 4.340 -0.000 0.000 0.260 158 Q C -0.175 175.821 176.000 -0.006 0.000 0.976 158 Q CA -0.259 55.542 55.803 -0.002 0.000 0.881 158 Q CB 1.302 30.039 28.738 -0.001 0.000 1.235 158 Q HN -0.014 nan 8.270 nan 0.000 0.419 159 V N -0.362 119.548 119.914 -0.005 0.000 2.311 159 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 159 V C -0.364 175.722 176.094 -0.012 0.000 1.022 159 V CA -0.674 61.620 62.300 -0.011 0.000 0.830 159 V CB 1.061 32.879 31.823 -0.009 0.000 1.012 159 V HN 0.760 nan 8.190 nan 0.000 0.452 160 E N 5.077 125.264 120.200 -0.021 0.000 2.081 160 E HA 0.494 4.844 4.350 -0.000 0.000 0.281 160 E C -1.072 175.496 176.600 -0.053 0.000 0.986 160 E CA -0.585 55.801 56.400 -0.024 0.000 0.796 160 E CB 1.187 30.875 29.700 -0.020 0.000 1.085 160 E HN 0.839 nan 8.360 nan 0.000 0.398 161 L N 5.118 126.307 121.223 -0.057 0.000 2.272 161 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 161 L C -0.066 176.706 176.870 -0.163 0.000 1.032 161 L CA -0.738 54.007 54.840 -0.158 0.000 0.810 161 L CB 0.982 42.963 42.059 -0.130 0.000 1.205 161 L HN 0.259 nan 8.230 nan 0.000 0.422 162 K N 4.189 124.438 120.400 -0.252 0.000 2.394 162 K HA 0.458 4.778 4.320 -0.000 0.000 0.260 162 K C -1.174 175.281 176.600 -0.241 0.000 0.967 162 K CA -0.509 55.692 56.287 -0.144 0.000 0.855 162 K CB 1.835 34.291 32.500 -0.073 0.000 1.101 162 K HN 0.261 nan 8.250 nan 0.000 0.433 163 Y N 0.436 120.705 120.300 -0.052 0.000 2.487 163 Y HA 0.445 4.995 4.550 -0.000 0.000 0.337 163 Y C 0.525 176.361 175.900 -0.107 0.000 1.076 163 Y CA -0.631 57.413 58.100 -0.092 0.000 1.115 163 Y CB 2.110 40.480 38.460 -0.150 0.000 1.235 163 Y HN 0.534 nan 8.280 nan 0.000 0.468 164 E N 0.960 121.181 120.200 0.034 0.000 2.392 164 E HA 0.312 4.662 4.350 -0.000 0.000 0.279 164 E C -2.031 174.517 176.600 -0.087 0.000 0.964 164 E CA -0.792 55.599 56.400 -0.014 0.000 0.777 164 E CB 1.355 31.086 29.700 0.052 0.000 1.249 164 E HN 0.607 nan 8.360 nan 0.000 0.449 165 W N 2.200 123.490 121.300 -0.016 0.000 2.313 165 W HA 0.534 5.194 4.660 -0.000 0.000 0.328 165 W C -0.323 176.095 176.519 -0.170 0.000 1.197 165 W CA -0.211 57.086 57.345 -0.081 0.000 1.235 165 W CB 1.484 30.901 29.460 -0.073 0.000 1.158 165 W HN 0.236 nan 8.180 nan 0.000 0.578 166 V N 2.474 122.363 119.914 -0.041 0.000 3.048 166 V HA 0.323 4.443 4.120 -0.000 0.000 0.303 166 V C -1.336 174.303 176.094 -0.758 0.000 1.214 166 V CA -0.990 61.091 62.300 -0.365 0.000 0.984 166 V CB 1.968 33.510 31.823 -0.469 0.000 1.054 166 V HN 0.584 nan 8.190 nan 0.000 0.430 167 E N 4.902 124.724 120.200 -0.631 0.000 2.081 167 E HA 0.501 4.851 4.350 -0.000 0.000 0.276 167 E C -1.516 174.687 176.600 -0.663 0.000 0.950 167 E CA -0.537 55.491 56.400 -0.620 0.000 0.776 167 E CB 0.758 30.284 29.700 -0.291 0.000 1.094 167 E HN 0.546 nan 8.360 nan 0.000 0.402 168 F N 1.933 121.643 119.950 -0.400 0.000 2.397 168 F HA 0.362 4.889 4.527 -0.000 0.000 0.331 168 F C 0.954 176.653 175.800 -0.169 0.000 1.090 168 F CA -0.793 57.039 58.000 -0.280 0.000 1.065 168 F CB 1.406 40.197 39.000 -0.348 0.000 1.184 168 F HN 0.231 nan 8.300 nan 0.000 0.499 169 T N 0.347 114.994 114.554 0.155 0.000 2.932 169 T HA 0.829 5.179 4.350 -0.000 0.000 0.289 169 T C -0.819 173.985 174.700 0.174 0.000 1.039 169 T CA -0.895 61.293 62.100 0.148 0.000 1.024 169 T CB 1.376 70.299 68.868 0.092 0.000 1.090 169 T HN 0.555 nan 8.240 nan 0.000 0.496 170 L N 1.779 123.096 121.223 0.157 0.000 2.322 170 L HA 0.597 4.937 4.340 -0.000 0.000 0.269 170 L C -2.153 174.771 176.870 0.091 0.000 1.012 170 L CA -2.715 52.201 54.840 0.126 0.000 0.815 170 L CB 2.224 44.349 42.059 0.109 0.000 1.295 170 L HN 0.556 nan 8.230 nan 0.000 0.438 171 P HA 0.144 nan 4.420 nan 0.000 0.280 171 P C -0.551 176.780 177.300 0.052 0.000 1.386 171 P CA -0.387 62.753 63.100 0.067 0.000 0.899 171 P CB 0.494 32.235 31.700 0.068 0.000 1.098 172 E N 1.818 122.050 120.200 0.054 0.000 2.864 172 E HA -0.029 4.321 4.350 -0.000 0.000 0.285 172 E C 1.318 177.937 176.600 0.032 0.000 0.965 172 E CA 1.729 58.153 56.400 0.041 0.000 0.985 172 E CB -0.087 29.660 29.700 0.078 0.000 1.000 172 E HN 0.771 nan 8.360 nan 0.000 0.475 173 G N 3.078 111.859 108.800 -0.031 0.000 4.731 173 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.266 173 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.266 173 G C -0.253 174.565 174.900 -0.137 0.000 1.635 173 G CA -0.062 45.050 45.100 0.019 0.000 1.229 173 G HN 0.828 nan 8.290 nan 0.000 0.663 174 N N 2.121 120.851 118.700 0.050 0.000 2.972 174 N HA -0.008 4.732 4.740 -0.000 0.000 0.295 174 N C 0.354 175.852 175.510 -0.019 0.000 1.162 174 N CA 1.356 54.448 53.050 0.070 0.000 0.895 174 N CB -1.083 37.417 38.487 0.022 0.000 1.022 174 N HN 0.699 nan 8.380 nan 0.000 0.610 175 Y N 1.035 121.309 120.300 -0.044 0.000 2.360 175 Y HA 0.172 4.722 4.550 -0.000 0.000 0.433 175 Y C 1.632 177.489 175.900 -0.072 0.000 1.305 175 Y CA 0.050 58.119 58.100 -0.052 0.000 1.980 175 Y CB -0.579 37.858 38.460 -0.039 0.000 1.700 175 Y HN 0.683 nan 8.280 nan 0.000 0.700 176 S N -0.587 115.187 115.700 0.124 0.000 3.339 176 S HA -0.188 4.282 4.470 -0.000 0.000 0.856 176 S C 0.811 175.381 174.600 -0.051 0.000 1.139 176 S CA 0.467 58.678 58.200 0.019 0.000 1.044 176 S CB -0.479 62.707 63.200 -0.023 0.000 0.721 176 S HN 0.785 nan 8.310 nan 0.000 0.267 177 E N 2.824 122.984 120.200 -0.067 0.000 2.021 177 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 177 E C 1.821 178.332 176.600 -0.148 0.000 0.980 177 E CA 1.276 57.606 56.400 -0.117 0.000 0.803 177 E CB -1.046 28.583 29.700 -0.117 0.000 0.766 177 E HN 0.725 nan 8.360 nan 0.000 0.449 178 T N 1.885 116.358 114.554 -0.135 0.000 2.597 178 T HA -0.280 4.070 4.350 -0.000 0.000 0.267 178 T C 1.861 176.445 174.700 -0.194 0.000 1.053 178 T CA 2.112 64.119 62.100 -0.156 0.000 1.165 178 T CB -0.391 68.393 68.868 -0.140 0.000 0.863 178 T HN 0.217 nan 8.240 nan 0.000 0.427 179 M N 0.757 120.240 119.600 -0.196 0.000 2.202 179 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 179 M C 2.116 178.283 176.300 -0.222 0.000 1.063 179 M CA 1.535 56.684 55.300 -0.252 0.000 1.097 179 M CB -0.477 32.002 32.600 -0.201 0.000 1.382 179 M HN 0.231 nan 8.290 nan 0.000 0.413 180 T N 1.066 115.510 114.554 -0.183 0.000 2.788 180 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 180 T C 1.637 176.195 174.700 -0.237 0.000 1.044 180 T CA 1.568 63.555 62.100 -0.189 0.000 1.139 180 T CB -0.367 68.381 68.868 -0.201 0.000 0.867 180 T HN 0.417 nan 8.240 nan 0.000 0.454 181 I N 1.426 121.845 120.570 -0.252 0.000 2.099 181 I HA -0.219 3.951 4.170 -0.000 0.000 0.239 181 I C 2.332 178.335 176.117 -0.190 0.000 1.066 181 I CA 1.528 62.662 61.300 -0.276 0.000 1.324 181 I CB -0.519 37.362 38.000 -0.198 0.000 1.037 181 I HN 0.143 nan 8.210 nan 0.000 0.401 182 D N 1.080 121.373 120.400 -0.177 0.000 2.157 182 D HA -0.223 4.417 4.640 -0.000 0.000 0.191 182 D C 2.182 178.517 176.300 0.058 0.000 1.004 182 D CA 1.458 55.380 54.000 -0.129 0.000 0.854 182 D CB -0.513 39.969 40.800 -0.529 0.000 0.936 182 D HN 0.263 nan 8.370 nan 0.000 0.446 183 L N -0.429 120.798 121.223 0.006 0.000 2.127 183 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 183 L C 2.427 179.351 176.870 0.090 0.000 1.089 183 L CA 0.902 55.819 54.840 0.128 0.000 0.757 183 L CB -0.292 41.801 42.059 0.057 0.000 0.899 183 L HN 0.106 nan 8.230 nan 0.000 0.434 184 M N -1.000 118.581 119.600 -0.031 0.000 2.081 184 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 184 M C 2.129 178.502 176.300 0.122 0.000 1.075 184 M CA 1.520 56.798 55.300 -0.035 0.000 1.133 184 M CB -0.537 31.713 32.600 -0.583 0.000 1.330 184 M HN 0.218 nan 8.290 nan 0.000 0.414 185 N N 0.971 119.756 118.700 0.141 0.000 2.091 185 N HA -0.227 4.513 4.740 -0.000 0.000 0.193 185 N C 1.385 176.944 175.510 0.082 0.000 1.021 185 N CA 1.956 55.105 53.050 0.166 0.000 0.862 185 N CB -0.817 37.745 38.487 0.124 0.000 1.018 185 N HN 0.410 nan 8.380 nan 0.000 0.429 186 N N 0.802 119.570 118.700 0.113 0.000 2.149 186 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 186 N C 1.524 177.068 175.510 0.057 0.000 1.019 186 N CA 1.622 54.714 53.050 0.070 0.000 0.857 186 N CB -0.209 38.344 38.487 0.110 0.000 0.997 186 N HN 0.208 nan 8.380 nan 0.000 0.426 187 A N 0.312 123.175 122.820 0.071 0.000 2.015 187 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 187 A C 2.046 179.581 177.584 -0.081 0.000 1.163 187 A CA 0.840 52.913 52.037 0.059 0.000 0.646 187 A CB -0.521 18.548 19.000 0.115 0.000 0.806 187 A HN 0.360 nan 8.150 nan 0.000 0.448 188 I N -0.219 120.223 120.570 -0.213 0.000 2.179 188 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 188 I C 2.526 178.679 176.117 0.060 0.000 1.088 188 I CA 1.098 62.223 61.300 -0.292 0.000 1.357 188 I CB -1.412 36.480 38.000 -0.179 0.000 1.051 188 I HN 0.141 nan 8.210 nan 0.000 0.409 189 V N 0.825 120.786 119.914 0.079 0.000 2.223 189 V HA -0.281 3.839 4.120 -0.000 0.000 0.244 189 V C 2.444 178.685 176.094 0.244 0.000 1.045 189 V CA 1.808 64.210 62.300 0.170 0.000 1.000 189 V CB -0.733 31.132 31.823 0.070 0.000 0.635 189 V HN 0.387 nan 8.190 nan 0.000 0.445 190 E N -0.911 119.388 120.200 0.165 0.000 2.253 190 E HA -0.325 4.025 4.350 -0.000 0.000 0.202 190 E C 2.153 178.872 176.600 0.198 0.000 1.014 190 E CA 1.688 58.180 56.400 0.153 0.000 0.823 190 E CB -0.226 29.548 29.700 0.123 0.000 0.736 190 E HN 0.719 nan 8.360 nan 0.000 0.478 191 H N -0.546 118.638 119.070 0.190 0.000 2.343 191 H HA -0.141 4.415 4.556 -0.000 0.000 0.303 191 H C 1.999 177.440 175.328 0.189 0.000 1.068 191 H CA 1.527 57.702 56.048 0.212 0.000 1.359 191 H CB -0.358 29.619 29.762 0.358 0.000 1.402 191 H HN 0.245 nan 8.280 nan 0.000 0.515 192 Y N 1.731 122.179 120.300 0.247 0.000 2.193 192 Y HA -0.211 4.339 4.550 -0.000 0.000 0.285 192 Y C 2.571 178.487 175.900 0.026 0.000 1.166 192 Y CA 1.570 59.758 58.100 0.147 0.000 1.181 192 Y CB -0.657 37.910 38.460 0.177 0.000 0.976 192 Y HN 0.162 nan 8.280 nan 0.000 0.520 193 L N 0.309 121.565 121.223 0.055 0.000 2.191 193 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 193 L C 2.355 179.139 176.870 -0.144 0.000 1.103 193 L CA 1.855 56.655 54.840 -0.066 0.000 0.769 193 L CB -0.423 41.665 42.059 0.049 0.000 0.908 193 L HN 0.230 nan 8.230 nan 0.000 0.438 194 K N -1.230 119.074 120.400 -0.159 0.000 2.353 194 K HA 0.065 4.385 4.320 -0.000 0.000 0.195 194 K C 1.199 177.655 176.600 -0.240 0.000 1.031 194 K CA 0.186 56.368 56.287 -0.174 0.000 1.079 194 K CB 0.819 33.238 32.500 -0.135 0.000 0.857 194 K HN 0.048 nan 8.250 nan 0.000 0.535 195 V N -1.582 118.137 119.914 -0.326 0.000 3.219 195 V HA 0.103 4.223 4.120 -0.000 0.000 0.214 195 V C 1.796 177.745 176.094 -0.241 0.000 1.433 195 V CA 0.697 62.828 62.300 -0.281 0.000 1.301 195 V CB 0.198 31.809 31.823 -0.354 0.000 1.160 195 V HN 0.373 nan 8.190 nan 0.000 0.505 196 G N 2.499 111.143 108.800 -0.260 0.000 2.900 196 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.212 196 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.212 196 G C 1.467 176.129 174.900 -0.397 0.000 1.359 196 G CA 2.020 46.977 45.100 -0.238 0.000 0.800 196 G HN 0.611 nan 8.290 nan 0.000 0.680 197 R N 0.041 120.004 120.500 -0.895 0.000 2.133 197 R HA -0.206 4.134 4.340 -0.000 0.000 0.245 197 R C 1.945 178.107 176.300 -0.230 0.000 1.137 197 R CA 2.020 57.842 56.100 -0.464 0.000 0.947 197 R CB -0.898 29.117 30.300 -0.475 0.000 0.865 197 R HN 0.443 nan 8.270 nan 0.000 0.437 198 Q N 0.884 120.545 119.800 -0.232 0.000 2.336 198 Q HA 0.082 4.422 4.340 -0.000 0.000 0.231 198 Q C -0.539 175.394 176.000 -0.111 0.000 0.900 198 Q CA 0.437 56.154 55.803 -0.143 0.000 0.966 198 Q CB 0.094 28.753 28.738 -0.133 0.000 1.219 198 Q HN 0.444 nan 8.270 nan 0.000 0.412 199 N N -1.349 117.290 118.700 -0.101 0.000 2.278 199 N HA 0.149 4.889 4.740 -0.000 0.000 0.239 199 N C -0.129 175.347 175.510 -0.057 0.000 1.411 199 N CA 0.531 53.537 53.050 -0.072 0.000 0.908 199 N CB 1.081 39.524 38.487 -0.073 0.000 1.307 199 N HN 0.295 nan 8.380 nan 0.000 0.522 200 G N 0.155 108.925 108.800 -0.050 0.000 3.299 200 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 200 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 200 G C -0.131 174.772 174.900 0.004 0.000 1.741 200 G CA -0.280 44.803 45.100 -0.028 0.000 1.151 200 G HN 0.940 nan 8.290 nan 0.000 0.561 201 V N 3.014 122.937 119.914 0.016 0.000 3.383 201 V HA -0.084 4.036 4.120 -0.000 0.000 0.276 201 V C 1.061 177.274 176.094 0.199 0.000 1.512 201 V CA 1.862 64.213 62.300 0.085 0.000 1.498 201 V CB -0.888 31.005 31.823 0.117 0.000 0.827 201 V HN 0.996 nan 8.190 nan 0.000 0.372 202 L N 5.468 126.761 121.223 0.117 0.000 2.490 202 L HA 0.470 4.810 4.340 -0.000 0.000 0.245 202 L C 1.444 178.329 176.870 0.024 0.000 1.185 202 L CA -0.487 54.415 54.840 0.103 0.000 0.813 202 L CB 0.021 42.093 42.059 0.021 0.000 1.233 202 L HN 0.581 nan 8.230 nan 0.000 0.489 203 E N 0.052 120.188 120.200 -0.108 0.000 2.072 203 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 203 E C 2.106 178.590 176.600 -0.193 0.000 0.982 203 E CA 1.155 57.343 56.400 -0.354 0.000 0.803 203 E CB -0.046 29.317 29.700 -0.562 0.000 0.755 203 E HN 0.627 nan 8.360 nan 0.000 0.453 204 S N 1.667 117.306 115.700 -0.102 0.000 2.413 204 S HA -0.167 4.303 4.470 -0.000 0.000 0.237 204 S C 1.064 175.679 174.600 0.026 0.000 1.044 204 S CA 1.678 59.871 58.200 -0.013 0.000 1.024 204 S CB -0.308 62.888 63.200 -0.006 0.000 0.829 204 S HN 0.424 nan 8.310 nan 0.000 0.475 205 D N 0.127 120.530 120.400 0.005 0.000 3.008 205 D HA 0.202 4.842 4.640 -0.000 0.000 0.312 205 D C -0.382 175.944 176.300 0.043 0.000 1.361 205 D CA -0.285 53.737 54.000 0.036 0.000 0.858 205 D CB -0.603 40.205 40.800 0.013 0.000 1.098 205 D HN 0.266 nan 8.370 nan 0.000 0.482 206 I N 1.066 121.652 120.570 0.027 0.000 2.379 206 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 206 I C 1.096 177.239 176.117 0.043 0.000 1.063 206 I CA -0.448 60.848 61.300 -0.007 0.000 1.351 206 I CB 1.293 39.257 38.000 -0.060 0.000 1.410 206 I HN 0.103 nan 8.210 nan 0.000 0.505 207 G N 4.911 113.746 108.800 0.058 0.000 2.353 207 G HA2 0.484 4.444 3.960 -0.000 0.000 0.284 207 G HA3 0.484 4.444 3.960 -0.000 0.000 0.284 207 G C -0.373 174.502 174.900 -0.042 0.000 1.172 207 G CA -0.259 44.862 45.100 0.036 0.000 0.854 207 G HN 0.523 nan 8.290 nan 0.000 0.485 208 V N 1.200 121.047 119.914 -0.111 0.000 3.284 208 V HA -0.116 4.004 4.120 -0.000 0.000 0.470 208 V C -0.192 175.719 176.094 -0.306 0.000 0.682 208 V CA 0.699 62.867 62.300 -0.220 0.000 2.009 208 V CB -0.942 30.772 31.823 -0.182 0.000 2.467 208 V HN 1.170 nan 8.190 nan 0.000 0.498 209 K N 5.457 125.607 120.400 -0.417 0.000 2.550 209 K HA 0.588 4.908 4.320 -0.000 0.000 0.252 209 K C -1.288 175.079 176.600 -0.387 0.000 0.943 209 K CA -0.749 55.328 56.287 -0.350 0.000 0.806 209 K CB 1.397 33.765 32.500 -0.220 0.000 1.289 209 K HN 0.339 nan 8.250 nan 0.000 0.435 210 F N 2.967 122.881 119.950 -0.060 0.000 2.420 210 F HA 0.293 4.820 4.527 -0.000 0.000 0.352 210 F C 0.980 176.752 175.800 -0.047 0.000 1.108 210 F CA -0.132 57.834 58.000 -0.056 0.000 1.162 210 F CB 0.815 39.755 39.000 -0.099 0.000 1.118 210 F HN 0.461 nan 8.300 nan 0.000 0.510 211 D N 0.487 120.968 120.400 0.135 0.000 2.758 211 D HA 0.411 5.051 4.640 -0.000 0.000 0.262 211 D C -0.139 176.197 176.300 0.059 0.000 1.113 211 D CA -0.279 53.782 54.000 0.101 0.000 1.114 211 D CB 2.320 43.238 40.800 0.197 0.000 1.363 211 D HN 0.524 nan 8.370 nan 0.000 0.617 212 T N -2.027 112.524 114.554 -0.005 0.000 3.855 212 T HA 0.279 4.629 4.350 -0.000 0.000 0.313 212 T C -0.010 174.608 174.700 -0.136 0.000 0.938 212 T CA -0.623 61.439 62.100 -0.063 0.000 1.011 212 T CB -0.023 68.800 68.868 -0.075 0.000 1.188 212 T HN 0.544 nan 8.240 nan 0.000 0.477 213 R N 0.111 120.461 120.500 -0.250 0.000 2.888 213 R HA 0.541 4.881 4.340 -0.000 0.000 0.264 213 R C -0.927 175.043 176.300 -0.551 0.000 1.045 213 R CA -1.016 54.812 56.100 -0.454 0.000 0.962 213 R CB 0.904 30.857 30.300 -0.578 0.000 1.210 213 R HN 0.127 nan 8.270 nan 0.000 0.479 214 N N 1.122 119.446 118.700 -0.628 0.000 3.034 214 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 214 N C -1.015 174.305 175.510 -0.317 0.000 1.166 214 N CA -0.528 52.302 53.050 -0.366 0.000 1.081 214 N CB 0.121 38.360 38.487 -0.414 0.000 1.378 214 N HN 0.342 nan 8.380 nan 0.000 0.520 215 F N 2.267 122.095 119.950 -0.204 0.000 2.616 215 F HA 0.035 4.562 4.527 -0.000 0.000 0.331 215 F C 1.550 177.241 175.800 -0.181 0.000 1.309 215 F CA 0.110 57.954 58.000 -0.260 0.000 1.068 215 F CB 0.014 38.711 39.000 -0.505 0.000 1.464 215 F HN 0.568 nan 8.300 nan 0.000 0.667 216 R N 0.713 121.221 120.500 0.013 0.000 2.475 216 R HA 0.056 4.396 4.340 -0.000 0.000 0.050 216 R C 0.558 176.851 176.300 -0.010 0.000 0.505 216 R CA 0.085 56.139 56.100 -0.077 0.000 0.784 216 R CB -0.792 29.216 30.300 -0.487 0.000 0.896 216 R HN 0.555 nan 8.270 nan 0.000 0.567 217 L N -0.772 120.455 121.223 0.007 0.000 2.044 217 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 217 L C 2.258 179.188 176.870 0.100 0.000 1.075 217 L CA 1.834 56.690 54.840 0.027 0.000 0.747 217 L CB -0.363 41.663 42.059 -0.054 0.000 0.903 217 L HN 0.430 nan 8.230 nan 0.000 0.435 218 G N -0.126 108.743 108.800 0.115 0.000 2.418 218 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 218 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 218 G C 0.639 175.624 174.900 0.141 0.000 1.158 218 G CA -0.217 44.944 45.100 0.102 0.000 0.771 218 G HN 0.182 nan 8.290 nan 0.000 0.545 219 F N 1.798 121.773 119.950 0.041 0.000 2.295 219 F HA -0.108 4.419 4.527 -0.000 0.000 0.410 219 F C 0.261 176.084 175.800 0.038 0.000 0.891 219 F CA 0.414 58.442 58.000 0.047 0.000 1.125 219 F CB 0.434 39.458 39.000 0.040 0.000 0.860 219 F HN 0.088 nan 8.300 nan 0.000 0.551 220 D N 8.742 128.771 120.400 -0.617 0.000 2.425 220 D HA 0.224 4.864 4.640 -0.000 0.000 0.240 220 D C -1.679 174.249 176.300 -0.620 0.000 1.080 220 D CA -1.770 51.986 54.000 -0.407 0.000 0.836 220 D CB 1.953 42.582 40.800 -0.286 0.000 1.125 220 D HN 0.240 nan 8.370 nan 0.000 0.525 221 P HA -0.139 nan 4.420 nan 0.000 0.222 221 P C 1.169 178.432 177.300 -0.062 0.000 1.142 221 P CA 0.681 63.788 63.100 0.011 0.000 0.788 221 P CB 0.714 32.493 31.700 0.132 0.000 0.767 222 V N -0.500 119.335 119.914 -0.131 0.000 2.599 222 V HA -0.068 4.052 4.120 -0.000 0.000 0.237 222 V C 2.618 178.628 176.094 -0.139 0.000 1.081 222 V CA 1.905 64.148 62.300 -0.095 0.000 1.107 222 V CB -1.714 30.069 31.823 -0.066 0.000 0.808 222 V HN 0.041 nan 8.190 nan 0.000 0.486 223 T N 0.550 114.991 114.554 -0.189 0.000 2.699 223 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 223 T C 1.543 176.114 174.700 -0.215 0.000 1.036 223 T CA 2.038 64.025 62.100 -0.190 0.000 1.147 223 T CB -0.674 68.063 68.868 -0.219 0.000 0.862 223 T HN 0.982 nan 8.240 nan 0.000 0.446 224 G N 0.573 109.151 108.800 -0.370 0.000 2.136 224 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.242 224 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.242 224 G C -0.071 174.719 174.900 -0.183 0.000 0.989 224 G CA 0.052 44.980 45.100 -0.286 0.000 0.682 224 G HN 0.525 nan 8.290 nan 0.000 0.522 225 L N -0.743 120.295 121.223 -0.309 0.000 2.359 225 L HA 0.572 4.912 4.340 -0.000 0.000 0.256 225 L C 0.524 177.336 176.870 -0.097 0.000 1.026 225 L CA -1.433 53.352 54.840 -0.090 0.000 0.828 225 L CB 2.251 44.270 42.059 -0.066 0.000 1.406 225 L HN -0.148 nan 8.230 nan 0.000 0.413 226 V N 2.775 122.719 119.914 0.051 0.000 2.149 226 V HA -0.012 4.108 4.120 -0.000 0.000 0.245 226 V C 1.473 177.537 176.094 -0.050 0.000 1.349 226 V CA -0.253 62.080 62.300 0.054 0.000 1.289 226 V CB 0.084 31.962 31.823 0.091 0.000 1.401 226 V HN 0.717 nan 8.190 nan 0.000 0.501 227 M N 3.570 123.115 119.600 -0.092 0.000 2.186 227 M HA -0.209 4.271 4.480 -0.000 0.000 0.249 227 M C 0.012 176.243 176.300 -0.115 0.000 1.081 227 M CA 2.276 57.493 55.300 -0.138 0.000 1.072 227 M CB -2.435 30.076 32.600 -0.150 0.000 1.318 227 M HN 0.367 nan 8.290 nan 0.000 0.405 228 P HA -0.033 nan 4.420 nan 0.000 0.222 228 P C 0.911 178.177 177.300 -0.056 0.000 1.142 228 P CA 2.119 65.189 63.100 -0.050 0.000 0.788 228 P CB -0.156 31.530 31.700 -0.024 0.000 0.767 229 G N -2.446 106.303 108.800 -0.085 0.000 2.162 229 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 229 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 229 G C 0.075 174.913 174.900 -0.105 0.000 0.976 229 G CA 0.046 45.096 45.100 -0.084 0.000 0.655 229 G HN 0.385 nan 8.290 nan 0.000 0.533 230 V N -0.303 119.532 119.914 -0.132 0.000 2.851 230 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 230 V C -0.442 175.571 176.094 -0.135 0.000 1.129 230 V CA -1.383 60.843 62.300 -0.123 0.000 0.932 230 V CB 1.814 33.626 31.823 -0.018 0.000 1.024 230 V HN 0.248 nan 8.190 nan 0.000 0.426 231 Y N 1.969 122.314 120.300 0.075 0.000 2.637 231 Y HA 0.136 4.686 4.550 -0.000 0.000 0.350 231 Y C 1.452 177.305 175.900 -0.079 0.000 1.069 231 Y CA 0.260 58.367 58.100 0.012 0.000 1.397 231 Y CB 0.917 39.405 38.460 0.047 0.000 1.163 231 Y HN 0.698 nan 8.280 nan 0.000 0.527 232 T N 3.685 118.270 114.554 0.051 0.000 2.609 232 T HA -0.197 4.153 4.350 -0.000 0.000 0.257 232 T C 0.882 175.544 174.700 -0.064 0.000 1.032 232 T CA -0.060 62.033 62.100 -0.011 0.000 1.244 232 T CB -0.444 68.409 68.868 -0.025 0.000 1.003 232 T HN 0.604 nan 8.240 nan 0.000 0.507 233 N N 4.961 123.650 118.700 -0.018 0.000 2.938 233 N HA 0.035 4.775 4.740 -0.000 0.000 0.286 233 N C -0.071 175.434 175.510 -0.007 0.000 1.316 233 N CA 0.250 53.285 53.050 -0.024 0.000 1.063 233 N CB -0.151 38.346 38.487 0.017 0.000 1.388 233 N HN 0.738 nan 8.380 nan 0.000 0.545 234 E N -0.739 119.451 120.200 -0.017 0.000 2.212 234 E HA 0.594 4.944 4.350 -0.000 0.000 0.268 234 E C -1.076 175.614 176.600 0.151 0.000 0.902 234 E CA -1.029 55.437 56.400 0.111 0.000 0.779 234 E CB 1.469 31.332 29.700 0.272 0.000 1.172 234 E HN 0.293 nan 8.360 nan 0.000 0.409 235 A N 3.176 126.113 122.820 0.196 0.000 2.320 235 A HA 0.367 4.687 4.320 -0.000 0.000 0.287 235 A C -0.632 177.183 177.584 0.385 0.000 1.181 235 A CA -0.073 52.072 52.037 0.181 0.000 0.831 235 A CB 0.000 19.019 19.000 0.032 0.000 1.102 235 A HN 0.619 nan 8.150 nan 0.000 0.513 236 F N 0.001 119.858 119.950 -0.156 0.000 2.577 236 F HA 0.278 4.805 4.527 -0.000 0.000 0.276 236 F C 0.768 176.523 175.800 -0.076 0.000 1.032 236 F CA 0.971 58.891 58.000 -0.133 0.000 1.297 236 F CB -0.108 38.766 39.000 -0.209 0.000 1.061 236 F HN 0.763 nan 8.300 nan 0.000 0.680 237 H N -1.678 117.335 119.070 -0.095 0.000 3.081 237 H HA 0.359 4.915 4.556 -0.000 0.000 0.322 237 H C -3.063 172.225 175.328 -0.068 0.000 1.266 237 H CA -1.627 54.372 56.048 -0.082 0.000 1.279 237 H CB 1.917 31.660 29.762 -0.032 0.000 1.954 237 H HN -0.291 nan 8.280 nan 0.000 0.530 238 P HA 0.201 nan 4.420 nan 0.000 0.271 238 P C -1.110 176.215 177.300 0.041 0.000 1.218 238 P CA 0.145 63.087 63.100 -0.263 0.000 0.780 238 P CB 0.677 32.156 31.700 -0.368 0.000 0.901 239 D N 1.389 121.885 120.400 0.161 0.000 2.615 239 D HA 0.351 4.991 4.640 -0.000 0.000 0.267 239 D C -1.172 175.264 176.300 0.227 0.000 1.236 239 D CA -0.642 53.568 54.000 0.350 0.000 0.839 239 D CB 1.254 42.409 40.800 0.591 0.000 1.380 239 D HN 0.279 nan 8.370 nan 0.000 0.433 240 I N -1.789 118.908 120.570 0.211 0.000 2.465 240 I HA 0.598 4.768 4.170 -0.000 0.000 0.291 240 I C -0.856 175.270 176.117 0.015 0.000 1.014 240 I CA -1.140 60.175 61.300 0.026 0.000 1.093 240 I CB 1.696 39.674 38.000 -0.037 0.000 1.267 240 I HN 0.271 nan 8.210 nan 0.000 0.431 241 I N 6.375 126.868 120.570 -0.128 0.000 2.437 241 I HA 0.512 4.682 4.170 -0.000 0.000 0.298 241 I C -0.396 175.633 176.117 -0.146 0.000 0.984 241 I CA -0.681 60.526 61.300 -0.154 0.000 1.214 241 I CB 1.833 39.635 38.000 -0.329 0.000 1.365 241 I HN 0.478 nan 8.210 nan 0.000 0.469 242 L N 5.890 127.110 121.223 -0.006 0.000 2.371 242 L HA 0.587 4.927 4.340 -0.000 0.000 0.262 242 L C -0.668 176.338 176.870 0.227 0.000 1.006 242 L CA -0.741 54.155 54.840 0.093 0.000 0.818 242 L CB 2.411 44.600 42.059 0.215 0.000 1.354 242 L HN 0.440 nan 8.230 nan 0.000 0.415 243 L N 1.522 122.780 121.223 0.058 0.000 2.358 243 L HA 0.536 4.876 4.340 -0.000 0.000 0.268 243 L C -2.167 174.224 176.870 -0.797 0.000 1.032 243 L CA -1.822 52.968 54.840 -0.083 0.000 0.805 243 L CB 2.142 44.230 42.059 0.048 0.000 1.253 243 L HN 0.267 nan 8.230 nan 0.000 0.452 244 P HA -0.007 nan 4.420 nan 0.000 0.267 244 P C 0.560 177.339 177.300 -0.868 0.000 1.201 244 P CA 0.898 63.118 63.100 -1.465 0.000 0.775 244 P CB 0.445 31.790 31.700 -0.592 0.000 0.854 245 G N -0.053 108.311 108.800 -0.727 0.000 2.322 245 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 245 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 245 G C 0.531 174.889 174.900 -0.903 0.000 0.992 245 G CA 0.659 45.246 45.100 -0.855 0.000 0.624 245 G HN 0.849 nan 8.290 nan 0.000 0.543 246 C N -1.611 117.310 119.300 -0.630 0.000 2.651 246 C HA 1.109 5.569 4.460 -0.000 0.000 0.416 246 C C 1.072 175.934 174.990 -0.213 0.000 1.818 246 C CA 0.012 58.775 59.018 -0.424 0.000 1.790 246 C CB 1.254 28.856 27.740 -0.231 0.000 2.048 246 C HN 2.246 nan 8.230 nan 0.000 0.470 247 G N -1.371 107.318 108.800 -0.185 0.000 2.324 247 G HA2 0.580 4.540 3.960 -0.000 0.000 0.293 247 G HA3 0.580 4.540 3.960 -0.000 0.000 0.293 247 G C -1.262 173.680 174.900 0.069 0.000 1.297 247 G CA 0.191 45.284 45.100 -0.011 0.000 0.853 247 G HN 2.187 nan 8.290 nan 0.000 0.535 248 V N -2.287 117.764 119.914 0.228 0.000 3.001 248 V HA 0.929 5.049 4.120 -0.000 0.000 0.314 248 V C -1.304 174.971 176.094 0.301 0.000 1.099 248 V CA -0.683 61.786 62.300 0.282 0.000 0.989 248 V CB 2.197 34.110 31.823 0.151 0.000 1.040 248 V HN 1.053 nan 8.190 nan 0.000 0.434 249 D N 1.139 121.591 120.400 0.087 0.000 2.863 249 D HA 0.448 5.088 4.640 -0.000 0.000 0.245 249 D C -0.930 175.189 176.300 -0.302 0.000 1.211 249 D CA -0.408 53.570 54.000 -0.036 0.000 0.888 249 D CB 2.053 42.730 40.800 -0.205 0.000 1.483 249 D HN 0.481 nan 8.370 nan 0.000 0.533 250 F N 1.427 121.375 119.950 -0.003 0.000 2.682 250 F HA 0.099 4.626 4.527 -0.000 0.000 0.308 250 F C 2.323 178.093 175.800 -0.051 0.000 1.093 250 F CA -0.229 57.731 58.000 -0.067 0.000 1.244 250 F CB 0.535 39.349 39.000 -0.310 0.000 1.052 250 F HN 0.323 nan 8.300 nan 0.000 0.573 251 T N -0.848 113.743 114.554 0.061 0.000 2.771 251 T HA -0.282 4.068 4.350 -0.000 0.000 0.262 251 T C 0.733 175.293 174.700 -0.234 0.000 1.027 251 T CA 1.847 63.873 62.100 -0.123 0.000 1.159 251 T CB -0.438 68.209 68.868 -0.368 0.000 0.844 251 T HN 0.283 nan 8.240 nan 0.000 0.478 252 H N 0.033 119.092 119.070 -0.018 0.000 2.429 252 H HA 0.661 5.217 4.556 -0.000 0.000 0.237 252 H C -0.327 174.940 175.328 -0.102 0.000 1.378 252 H CA -0.286 55.685 56.048 -0.129 0.000 1.170 252 H CB 0.338 29.950 29.762 -0.249 0.000 1.671 252 H HN 0.195 nan 8.280 nan 0.000 0.541 253 S N 0.281 116.066 115.700 0.141 0.000 2.556 253 S HA 0.283 4.753 4.470 -0.000 0.000 0.280 253 S C 0.352 175.041 174.600 0.149 0.000 1.141 253 S CA -0.730 57.578 58.200 0.179 0.000 0.883 253 S CB 1.263 64.625 63.200 0.269 0.000 1.103 253 S HN 0.465 nan 8.310 nan 0.000 0.453 254 R N 2.677 123.243 120.500 0.110 0.000 2.297 254 R HA 0.284 4.624 4.340 -0.000 0.000 0.197 254 R C 1.551 177.795 176.300 -0.093 0.000 0.943 254 R CA 0.287 56.393 56.100 0.011 0.000 1.038 254 R CB -0.225 30.084 30.300 0.016 0.000 0.957 254 R HN 0.624 nan 8.270 nan 0.000 0.484 255 L N 0.495 121.679 121.223 -0.065 0.000 2.189 255 L HA -0.264 4.076 4.340 -0.000 0.000 0.214 255 L C 2.584 179.183 176.870 -0.452 0.000 1.097 255 L CA 1.384 56.110 54.840 -0.190 0.000 0.764 255 L CB -0.579 41.419 42.059 -0.102 0.000 0.900 255 L HN 0.259 nan 8.230 nan 0.000 0.436 256 S N 0.654 115.945 115.700 -0.682 0.000 2.368 256 S HA -0.290 4.180 4.470 -0.000 0.000 0.226 256 S C 1.888 176.121 174.600 -0.611 0.000 1.044 256 S CA 2.019 59.539 58.200 -1.133 0.000 1.062 256 S CB -0.375 62.197 63.200 -1.046 0.000 0.931 256 S HN 0.491 nan 8.310 nan 0.000 0.440 257 N N 1.090 119.575 118.700 -0.358 0.000 2.348 257 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 257 N C 1.597 176.972 175.510 -0.225 0.000 1.019 257 N CA 1.217 54.131 53.050 -0.226 0.000 0.880 257 N CB -0.525 37.880 38.487 -0.137 0.000 0.965 257 N HN 0.466 nan 8.380 nan 0.000 0.437 258 L N 0.843 121.903 121.223 -0.273 0.000 2.131 258 L HA 0.053 4.393 4.340 -0.000 0.000 0.206 258 L C 1.957 178.654 176.870 -0.288 0.000 1.087 258 L CA 1.073 55.764 54.840 -0.248 0.000 0.767 258 L CB -0.281 41.624 42.059 -0.256 0.000 0.917 258 L HN 0.055 nan 8.230 nan 0.000 0.441 259 L N -0.196 120.801 121.223 -0.377 0.000 2.291 259 L HA 0.125 4.465 4.340 -0.000 0.000 0.214 259 L C 1.362 178.032 176.870 -0.333 0.000 1.120 259 L CA 0.687 55.296 54.840 -0.386 0.000 0.799 259 L CB -0.853 40.938 42.059 -0.447 0.000 0.925 259 L HN 0.551 nan 8.230 nan 0.000 0.446 260 G N 1.230 109.879 108.800 -0.252 0.000 2.248 260 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 260 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 260 G C -0.146 174.717 174.900 -0.063 0.000 1.085 260 G CA -0.303 44.750 45.100 -0.079 0.000 0.845 260 G HN 0.279 nan 8.290 nan 0.000 0.494 261 I N 0.227 120.640 120.570 -0.262 0.000 2.468 261 I HA 0.486 4.656 4.170 -0.000 0.000 0.284 261 I C 0.352 176.406 176.117 -0.105 0.000 1.038 261 I CA -0.784 60.307 61.300 -0.347 0.000 1.083 261 I CB 1.483 39.024 38.000 -0.765 0.000 1.223 261 I HN 0.109 nan 8.210 nan 0.000 0.443 262 R N 4.485 124.992 120.500 0.012 0.000 2.888 262 R HA 0.589 4.929 4.340 -0.000 0.000 0.266 262 R C -0.819 175.457 176.300 -0.040 0.000 1.020 262 R CA -1.194 54.969 56.100 0.105 0.000 0.963 262 R CB 2.404 32.716 30.300 0.020 0.000 1.197 262 R HN 0.399 nan 8.270 nan 0.000 0.481 263 K N 1.255 121.546 120.400 -0.181 0.000 2.270 263 K HA 0.167 4.487 4.320 -0.000 0.000 0.276 263 K C 0.761 177.309 176.600 -0.086 0.000 1.023 263 K CA -0.127 56.005 56.287 -0.258 0.000 0.955 263 K CB 1.012 33.329 32.500 -0.305 0.000 0.975 263 K HN 0.360 nan 8.250 nan 0.000 0.471 264 R N 1.310 121.802 120.500 -0.012 0.000 2.323 264 R HA -0.062 4.278 4.340 -0.000 0.000 0.198 264 R C 0.154 176.471 176.300 0.027 0.000 0.988 264 R CA 0.903 57.019 56.100 0.026 0.000 1.041 264 R CB 0.209 30.550 30.300 0.068 0.000 0.926 264 R HN 0.508 nan 8.270 nan 0.000 0.476 265 Q N -0.993 118.815 119.800 0.013 0.000 3.394 265 Q HA 0.156 4.496 4.340 -0.000 0.000 0.285 265 Q C -2.280 173.691 176.000 -0.048 0.000 0.866 265 Q CA -1.507 54.309 55.803 0.023 0.000 0.844 265 Q CB 1.687 30.468 28.738 0.073 0.000 1.472 265 Q HN -0.029 nan 8.270 nan 0.000 0.401 266 P HA -0.245 nan 4.420 nan 0.000 0.221 266 P C 0.581 177.687 177.300 -0.324 0.000 1.160 266 P CA 1.728 64.613 63.100 -0.358 0.000 0.933 266 P CB 0.051 31.354 31.700 -0.662 0.000 0.793 267 F N -1.071 118.900 119.950 0.034 0.000 2.494 267 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 267 F C 1.310 177.127 175.800 0.028 0.000 1.106 267 F CA 0.651 58.672 58.000 0.035 0.000 1.452 267 F CB -1.223 37.796 39.000 0.031 0.000 1.085 267 F HN -0.014 nan 8.300 nan 0.000 0.569 268 Q N 2.417 122.296 119.800 0.130 0.000 2.837 268 Q HA 0.041 4.381 4.340 -0.000 0.000 0.235 268 Q C 0.007 176.037 176.000 0.050 0.000 1.348 268 Q CA -0.267 55.585 55.803 0.081 0.000 0.990 268 Q CB -0.521 28.245 28.738 0.047 0.000 1.570 268 Q HN 0.482 nan 8.270 nan 0.000 0.575 269 E N 0.584 120.824 120.200 0.067 0.000 3.025 269 E HA -0.004 4.346 4.350 -0.000 0.000 0.248 269 E C 0.185 176.798 176.600 0.023 0.000 0.938 269 E CA 0.492 56.922 56.400 0.050 0.000 0.958 269 E CB -0.083 29.649 29.700 0.054 0.000 0.898 269 E HN 0.612 nan 8.360 nan 0.000 0.537 270 G N 4.063 112.885 108.800 0.038 0.000 2.823 270 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.235 270 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.235 270 G C -0.981 174.002 174.900 0.138 0.000 3.696 270 G CA -0.926 44.197 45.100 0.038 0.000 0.652 270 G HN 0.539 nan 8.290 nan 0.000 0.431 271 F N 2.674 122.667 119.950 0.072 0.000 2.377 271 F HA 0.578 5.105 4.527 -0.000 0.000 0.360 271 F C 0.809 176.730 175.800 0.202 0.000 1.147 271 F CA -0.670 57.439 58.000 0.180 0.000 1.170 271 F CB 0.393 39.498 39.000 0.176 0.000 1.339 271 F HN 0.083 nan 8.300 nan 0.000 0.552 272 R N 6.198 127.036 120.500 0.563 0.000 2.451 272 R HA 0.445 4.785 4.340 -0.000 0.000 0.307 272 R C -1.184 175.457 176.300 0.569 0.000 0.965 272 R CA -0.803 55.561 56.100 0.440 0.000 0.865 272 R CB 2.321 32.765 30.300 0.240 0.000 1.174 272 R HN 0.635 nan 8.270 nan 0.000 0.455 273 I N 3.175 124.071 120.570 0.543 0.000 2.428 273 I HA 0.209 4.379 4.170 -0.000 0.000 0.279 273 I C -0.407 175.939 176.117 0.381 0.000 1.040 273 I CA -0.107 61.503 61.300 0.516 0.000 1.171 273 I CB 1.399 39.683 38.000 0.474 0.000 1.312 273 I HN 0.520 nan 8.210 nan 0.000 0.470 274 T N 5.464 120.225 114.554 0.344 0.000 2.828 274 T HA 0.010 4.360 4.350 -0.000 0.000 0.290 274 T C 0.686 175.523 174.700 0.227 0.000 1.019 274 T CA 0.058 62.310 62.100 0.253 0.000 1.031 274 T CB 0.975 69.969 68.868 0.210 0.000 1.001 274 T HN 0.550 nan 8.240 nan 0.000 0.531 275 Y N 1.300 121.629 120.300 0.048 0.000 2.145 275 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 275 Y C 2.297 178.230 175.900 0.055 0.000 1.145 275 Y CA 1.824 59.941 58.100 0.029 0.000 1.148 275 Y CB -0.295 38.140 38.460 -0.042 0.000 0.981 275 Y HN 0.732 nan 8.280 nan 0.000 0.507 276 D N 0.120 120.590 120.400 0.116 0.000 2.203 276 D HA -0.215 4.425 4.640 -0.000 0.000 0.199 276 D C 1.451 177.753 176.300 0.004 0.000 0.997 276 D CA 1.747 55.762 54.000 0.026 0.000 0.863 276 D CB -0.107 40.748 40.800 0.090 0.000 0.928 276 D HN 0.551 nan 8.370 nan 0.000 0.458 277 D N 0.216 120.672 120.400 0.094 0.000 2.117 277 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 277 D C 1.256 177.633 176.300 0.129 0.000 0.982 277 D CA 0.231 54.339 54.000 0.180 0.000 0.828 277 D CB -0.045 40.976 40.800 0.369 0.000 0.967 277 D HN 0.295 nan 8.370 nan 0.000 0.464 278 L N 2.236 123.491 121.223 0.053 0.000 2.869 278 L HA 0.033 4.373 4.340 -0.000 0.000 0.240 278 L C 0.971 177.766 176.870 -0.125 0.000 1.448 278 L CA -0.241 54.593 54.840 -0.010 0.000 1.158 278 L CB -0.824 41.215 42.059 -0.032 0.000 1.497 278 L HN -0.048 nan 8.230 nan 0.000 0.447 279 E N 1.001 121.158 120.200 -0.072 0.000 2.683 279 E HA 0.135 4.485 4.350 -0.000 0.000 0.266 279 E C 0.895 177.429 176.600 -0.111 0.000 1.434 279 E CA 0.528 56.872 56.400 -0.093 0.000 1.137 279 E CB 0.331 30.010 29.700 -0.036 0.000 0.992 279 E HN 0.417 nan 8.360 nan 0.000 0.607 280 G N -0.570 108.173 108.800 -0.094 0.000 2.903 280 G HA2 0.102 4.062 3.960 -0.000 0.000 0.332 280 G HA3 0.102 4.062 3.960 -0.000 0.000 0.332 280 G C 0.512 175.311 174.900 -0.168 0.000 0.190 280 G CA 0.699 45.732 45.100 -0.112 0.000 1.231 280 G HN 1.084 nan 8.290 nan 0.000 0.363 281 G N 2.109 110.752 108.800 -0.261 0.000 2.678 281 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.175 281 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.175 281 G C -0.315 174.407 174.900 -0.297 0.000 1.078 281 G CA -0.203 44.723 45.100 -0.290 0.000 0.864 281 G HN 0.970 nan 8.290 nan 0.000 0.521 282 N N 0.888 119.344 118.700 -0.407 0.000 2.430 282 N HA 0.419 5.159 4.740 -0.000 0.000 0.292 282 N C 0.835 176.146 175.510 -0.332 0.000 1.051 282 N CA -0.583 52.294 53.050 -0.287 0.000 0.917 282 N CB 1.727 40.082 38.487 -0.219 0.000 1.164 282 N HN 0.316 nan 8.380 nan 0.000 0.484 283 I N 2.573 123.009 120.570 -0.224 0.000 2.919 283 I HA -0.076 4.094 4.170 -0.000 0.000 0.299 283 I C -1.806 174.299 176.117 -0.020 0.000 1.221 283 I CA -0.699 60.474 61.300 -0.212 0.000 1.424 283 I CB -0.261 37.491 38.000 -0.414 0.000 1.358 283 I HN 0.186 nan 8.210 nan 0.000 0.551 284 P HA 0.093 nan 4.420 nan 0.000 0.272 284 P C -0.552 177.033 177.300 0.475 0.000 1.254 284 P CA -0.220 63.120 63.100 0.399 0.000 0.795 284 P CB 0.601 32.631 31.700 0.550 0.000 1.022 285 A N 0.439 123.524 122.820 0.441 0.000 2.269 285 A HA 0.617 4.937 4.320 -0.000 0.000 0.327 285 A C -0.530 177.190 177.584 0.226 0.000 1.112 285 A CA -0.725 51.530 52.037 0.363 0.000 0.865 285 A CB 0.094 19.257 19.000 0.270 0.000 1.227 285 A HN 0.435 nan 8.150 nan 0.000 0.498 286 L N 0.770 122.072 121.223 0.131 0.000 2.334 286 L HA 0.349 4.689 4.340 -0.000 0.000 0.277 286 L C -0.008 176.854 176.870 -0.013 0.000 1.075 286 L CA -0.687 54.139 54.840 -0.023 0.000 0.804 286 L CB 0.996 43.010 42.059 -0.075 0.000 1.174 286 L HN 0.696 nan 8.230 nan 0.000 0.438 287 L N 2.178 123.369 121.223 -0.054 0.000 2.461 287 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 287 L C 0.514 177.358 176.870 -0.043 0.000 1.197 287 L CA 0.391 55.192 54.840 -0.066 0.000 0.836 287 L CB 0.358 42.340 42.059 -0.128 0.000 1.105 287 L HN 0.507 nan 8.230 nan 0.000 0.477 288 D N 3.804 124.192 120.400 -0.020 0.000 2.608 288 D HA -0.040 4.600 4.640 -0.000 0.000 0.224 288 D C 1.390 177.709 176.300 0.033 0.000 1.123 288 D CA 0.178 54.177 54.000 -0.001 0.000 1.030 288 D CB 0.396 41.200 40.800 0.007 0.000 1.093 288 D HN 0.569 nan 8.370 nan 0.000 0.497 289 V N 3.446 123.369 119.914 0.014 0.000 2.277 289 V HA -0.318 3.802 4.120 -0.000 0.000 0.255 289 V C 1.607 177.761 176.094 0.099 0.000 1.074 289 V CA 2.195 64.525 62.300 0.049 0.000 1.058 289 V CB -0.010 31.825 31.823 0.020 0.000 0.656 289 V HN 0.433 nan 8.190 nan 0.000 0.449 290 D N -0.154 120.280 120.400 0.056 0.000 2.078 290 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 290 D C 2.229 178.561 176.300 0.053 0.000 0.990 290 D CA 1.926 55.954 54.000 0.046 0.000 0.827 290 D CB -0.574 40.238 40.800 0.020 0.000 0.975 290 D HN 0.578 nan 8.370 nan 0.000 0.451 291 A N 0.642 123.492 122.820 0.050 0.000 1.859 291 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 291 A C 2.241 179.865 177.584 0.066 0.000 1.209 291 A CA 2.094 54.157 52.037 0.044 0.000 0.639 291 A CB -1.544 17.480 19.000 0.040 0.000 0.835 291 A HN 0.394 nan 8.150 nan 0.000 0.450 292 Y N 0.344 120.633 120.300 -0.018 0.000 1.997 292 Y HA -0.379 4.171 4.550 -0.000 0.000 0.265 292 Y C 2.611 178.503 175.900 -0.013 0.000 1.193 292 Y CA 2.769 60.859 58.100 -0.017 0.000 1.106 292 Y CB -0.733 37.716 38.460 -0.018 0.000 0.940 292 Y HN 0.488 nan 8.280 nan 0.000 0.494 293 Q N -0.325 119.481 119.800 0.011 0.000 1.975 293 Q HA -0.251 4.089 4.340 -0.000 0.000 0.205 293 Q C 2.547 178.474 176.000 -0.122 0.000 0.990 293 Q CA 1.703 57.445 55.803 -0.100 0.000 0.845 293 Q CB -0.612 28.162 28.738 0.059 0.000 0.913 293 Q HN 0.671 nan 8.270 nan 0.000 0.420 294 A N 0.429 123.218 122.820 -0.052 0.000 1.927 294 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 294 A C 2.105 179.644 177.584 -0.076 0.000 1.185 294 A CA 1.991 53.999 52.037 -0.048 0.000 0.639 294 A CB -0.889 18.097 19.000 -0.023 0.000 0.820 294 A HN 0.413 nan 8.150 nan 0.000 0.451 295 S N -1.636 114.006 115.700 -0.097 0.000 2.537 295 S HA 0.036 4.506 4.470 -0.000 0.000 0.240 295 S C 0.724 175.237 174.600 -0.145 0.000 0.981 295 S CA 0.568 58.705 58.200 -0.106 0.000 0.948 295 S CB -0.727 62.417 63.200 -0.093 0.000 0.759 295 S HN 0.385 nan 8.310 nan 0.000 0.531 376 K N 0.440 120.844 120.400 0.007 0.000 2.580 376 K HA 0.179 4.499 4.320 -0.000 0.000 0.258 376 K C -2.501 174.133 176.600 0.055 0.000 0.936 376 K CA -1.397 54.898 56.287 0.014 0.000 0.852 376 K CB 2.034 34.573 32.500 0.065 0.000 1.329 376 K HN 0.206 nan 8.250 nan 0.000 0.430 377 P HA -0.260 nan 4.420 nan 0.000 0.213 377 P C 1.337 178.691 177.300 0.089 0.000 1.170 377 P CA 1.732 64.871 63.100 0.066 0.000 0.902 377 P CB -0.008 31.731 31.700 0.065 0.000 0.789 378 V N -1.497 118.522 119.914 0.174 0.000 0.811 378 V HA -0.451 3.669 4.120 -0.000 0.000 0.097 378 V C 1.845 177.949 176.094 0.016 0.000 1.319 378 V CA 2.819 65.175 62.300 0.093 0.000 3.129 378 V CB -2.171 29.695 31.823 0.072 0.000 0.563 378 V HN 0.137 nan 8.190 nan 0.000 0.469 379 I N 0.364 120.939 120.570 0.008 0.000 2.442 379 I HA -0.261 3.909 4.170 -0.000 0.000 0.261 379 I C 1.722 177.834 176.117 -0.008 0.000 1.132 379 I CA 1.965 63.258 61.300 -0.012 0.000 1.412 379 I CB -0.773 37.221 38.000 -0.010 0.000 1.091 379 I HN 0.534 nan 8.210 nan 0.000 0.448 380 K N 3.482 123.885 120.400 0.005 0.000 2.361 380 K HA 0.066 4.386 4.320 -0.000 0.000 0.283 380 K C -2.143 174.454 176.600 -0.005 0.000 1.078 380 K CA -1.095 55.194 56.287 0.002 0.000 1.041 380 K CB 0.190 32.697 32.500 0.012 0.000 0.932 380 K HN 0.065 nan 8.250 nan 0.000 0.462 381 P HA 0.047 nan 4.420 nan 0.000 0.285 381 P C -0.500 176.795 177.300 -0.008 0.000 1.448 381 P CA -0.804 62.301 63.100 0.009 0.000 0.953 381 P CB 0.647 32.367 31.700 0.032 0.000 1.175 382 L N 4.044 125.248 121.223 -0.032 0.000 2.927 382 L HA -0.117 4.223 4.340 -0.000 0.000 0.292 382 L C 1.145 177.908 176.870 -0.178 0.000 1.088 382 L CA 1.497 56.278 54.840 -0.099 0.000 0.969 382 L CB -1.016 40.980 42.059 -0.104 0.000 1.399 382 L HN 0.335 nan 8.230 nan 0.000 0.458 383 T N 3.699 118.148 114.554 -0.175 0.000 3.043 383 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 383 T C 0.731 175.235 174.700 -0.328 0.000 1.094 383 T CA 1.438 63.428 62.100 -0.184 0.000 1.127 383 T CB 0.222 69.032 68.868 -0.096 0.000 0.905 383 T HN 0.766 nan 8.240 nan 0.000 0.490 384 E N 0.164 120.117 120.200 -0.412 0.000 4.448 384 E HA 0.433 4.783 4.350 -0.000 0.000 0.159 384 E C -1.196 175.102 176.600 -0.504 0.000 1.117 384 E CA -0.707 55.443 56.400 -0.416 0.000 0.873 384 E CB 1.009 30.600 29.700 -0.182 0.000 1.896 384 E HN 0.248 nan 8.360 nan 0.000 0.412 385 D N -0.642 119.631 120.400 -0.212 0.000 2.871 385 D HA 0.071 4.711 4.640 -0.000 0.000 0.330 385 D C -0.846 175.433 176.300 -0.035 0.000 1.364 385 D CA -0.555 53.388 54.000 -0.096 0.000 0.759 385 D CB -0.327 40.487 40.800 0.023 0.000 1.325 385 D HN 0.193 nan 8.370 nan 0.000 0.452 386 S N -0.693 115.008 115.700 0.002 0.000 2.589 386 S HA 0.106 4.576 4.470 -0.000 0.000 0.256 386 S C 0.417 175.019 174.600 0.002 0.000 1.383 386 S CA 0.191 58.393 58.200 0.004 0.000 0.983 386 S CB -0.152 63.059 63.200 0.018 0.000 0.908 386 S HN 0.636 nan 8.310 nan 0.000 0.572 387 K N -0.164 120.234 120.400 -0.003 0.000 2.905 387 K HA -0.236 4.084 4.320 -0.000 0.000 0.256 387 K C -0.668 175.921 176.600 -0.018 0.000 1.008 387 K CA 0.990 57.271 56.287 -0.010 0.000 0.752 387 K CB -1.551 30.944 32.500 -0.008 0.000 1.216 387 K HN 0.596 nan 8.250 nan 0.000 0.479 388 K N 0.276 120.662 120.400 -0.022 0.000 5.029 388 K HA -0.262 4.058 4.320 -0.000 0.000 0.303 388 K C -0.528 176.056 176.600 -0.027 0.000 0.753 388 K CA 1.111 57.378 56.287 -0.033 0.000 0.889 388 K CB -0.713 31.767 32.500 -0.033 0.000 1.950 388 K HN 0.328 nan 8.250 nan 0.000 0.390 389 R N 1.009 121.504 120.500 -0.009 0.000 2.514 389 R HA 0.277 4.617 4.340 -0.000 0.000 0.301 389 R C 0.025 176.354 176.300 0.048 0.000 0.962 389 R CA -0.716 55.398 56.100 0.024 0.000 0.882 389 R CB 1.729 32.070 30.300 0.070 0.000 1.143 389 R HN 0.479 nan 8.270 nan 0.000 0.452 390 S N 1.520 117.249 115.700 0.049 0.000 2.565 390 S HA 0.172 4.642 4.470 -0.000 0.000 0.274 390 S C -0.059 174.661 174.600 0.200 0.000 1.309 390 S CA -0.562 57.667 58.200 0.049 0.000 1.043 390 S CB 0.526 63.729 63.200 0.005 0.000 0.939 390 S HN 0.565 nan 8.310 nan 0.000 0.504 391 Y N 2.008 122.278 120.300 -0.049 0.000 2.775 391 Y HA 0.297 4.847 4.550 -0.000 0.000 0.349 391 Y C 0.854 176.624 175.900 -0.217 0.000 1.094 391 Y CA -1.617 56.430 58.100 -0.089 0.000 1.467 391 Y CB -1.761 36.711 38.460 0.018 0.000 1.272 391 Y HN 0.735 nan 8.280 nan 0.000 0.515 392 N N 1.400 120.056 118.700 -0.075 0.000 2.770 392 N HA -0.240 4.500 4.740 -0.000 0.000 0.283 392 N C -0.524 174.935 175.510 -0.085 0.000 1.009 392 N CA 0.608 53.576 53.050 -0.137 0.000 0.828 392 N CB -0.508 37.803 38.487 -0.295 0.000 0.939 392 N HN 0.403 nan 8.380 nan 0.000 0.580 393 L N 1.461 122.682 121.223 -0.003 0.000 2.380 393 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 393 L C 2.404 179.294 176.870 0.034 0.000 1.138 393 L CA -0.457 54.406 54.840 0.039 0.000 0.832 393 L CB 0.675 42.768 42.059 0.056 0.000 1.124 393 L HN 0.335 nan 8.230 nan 0.000 0.454 394 I N 0.523 121.131 120.570 0.064 0.000 2.185 394 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 394 I C 0.958 177.101 176.117 0.042 0.000 1.088 394 I CA 1.270 62.608 61.300 0.063 0.000 1.347 394 I CB -0.175 37.887 38.000 0.102 0.000 1.041 394 I HN 0.700 nan 8.210 nan 0.000 0.415 395 S N -0.572 115.150 115.700 0.036 0.000 2.625 395 S HA 0.359 4.829 4.470 -0.000 0.000 0.271 395 S C 0.123 174.731 174.600 0.013 0.000 1.161 395 S CA -0.789 57.424 58.200 0.021 0.000 0.820 395 S CB 1.082 64.293 63.200 0.018 0.000 1.137 395 S HN 0.254 nan 8.310 nan 0.000 0.470 396 N N 1.266 119.969 118.700 0.005 0.000 2.513 396 N HA -0.086 4.654 4.740 -0.000 0.000 0.187 396 N C 0.248 175.756 175.510 -0.003 0.000 1.056 396 N CA 1.390 54.440 53.050 0.000 0.000 0.907 396 N CB -0.356 38.129 38.487 -0.003 0.000 0.954 396 N HN 0.618 nan 8.380 nan 0.000 0.445 397 D N 0.145 120.542 120.400 -0.005 0.000 2.805 397 D HA 0.031 4.671 4.640 -0.000 0.000 0.271 397 D C 0.503 176.787 176.300 -0.027 0.000 1.166 397 D CA 0.131 54.121 54.000 -0.017 0.000 1.004 397 D CB -0.739 40.049 40.800 -0.020 0.000 1.136 397 D HN -0.173 nan 8.370 nan 0.000 0.444 398 S N 0.660 116.340 115.700 -0.033 0.000 2.593 398 S HA -0.029 4.441 4.470 -0.000 0.000 0.303 398 S C 1.538 176.115 174.600 -0.039 0.000 1.267 398 S CA 0.668 58.827 58.200 -0.068 0.000 1.047 398 S CB 0.739 63.918 63.200 -0.034 0.000 0.777 398 S HN 0.459 nan 8.310 nan 0.000 0.498 399 T N 0.874 115.359 114.554 -0.115 0.000 3.081 399 T HA 0.211 4.561 4.350 -0.000 0.000 0.255 399 T C 0.392 175.225 174.700 0.222 0.000 1.113 399 T CA 0.101 62.201 62.100 0.000 0.000 1.082 399 T CB -0.274 68.559 68.868 -0.058 0.000 0.939 399 T HN 0.446 nan 8.240 nan 0.000 0.506 400 F N 2.615 122.628 119.950 0.105 0.000 2.371 400 F HA 0.462 4.989 4.527 -0.000 0.000 0.329 400 F C 1.360 177.209 175.800 0.083 0.000 1.107 400 F CA -1.257 56.806 58.000 0.104 0.000 1.137 400 F CB 1.269 40.317 39.000 0.079 0.000 1.214 400 F HN 0.071 nan 8.300 nan 0.000 0.536 401 T N -0.907 113.811 114.554 0.273 0.000 2.936 401 T HA 0.195 4.545 4.350 -0.000 0.000 0.282 401 T C 0.321 175.069 174.700 0.081 0.000 1.003 401 T CA -0.713 61.464 62.100 0.128 0.000 1.005 401 T CB 1.753 70.666 68.868 0.076 0.000 1.097 401 T HN 0.673 nan 8.240 nan 0.000 0.532 402 Q N -0.451 119.343 119.800 -0.010 0.000 2.472 402 Q HA 0.119 4.459 4.340 -0.000 0.000 0.208 402 Q C -0.453 175.651 176.000 0.173 0.000 0.958 402 Q CA 0.367 56.208 55.803 0.063 0.000 0.932 402 Q CB -0.131 28.594 28.738 -0.022 0.000 1.007 402 Q HN 0.663 nan 8.270 nan 0.000 0.508 403 Y N 0.888 121.207 120.300 0.032 0.000 2.480 403 Y HA 0.142 4.692 4.550 -0.000 0.000 0.341 403 Y C 0.298 176.159 175.900 -0.064 0.000 1.031 403 Y CA -0.699 57.377 58.100 -0.039 0.000 1.295 403 Y CB 0.454 38.794 38.460 -0.200 0.000 1.162 403 Y HN -0.100 nan 8.280 nan 0.000 0.523 404 R N 2.102 122.717 120.500 0.192 0.000 2.346 404 R HA 0.280 4.620 4.340 -0.000 0.000 0.311 404 R C -0.624 175.654 176.300 -0.036 0.000 0.983 404 R CA -0.415 55.683 56.100 -0.004 0.000 0.880 404 R CB 1.581 31.798 30.300 -0.138 0.000 1.100 404 R HN 0.494 nan 8.270 nan 0.000 0.453 405 S N 2.525 118.183 115.700 -0.070 0.000 2.454 405 S HA 0.157 4.627 4.470 -0.000 0.000 0.306 405 S C 0.406 175.074 174.600 0.114 0.000 1.100 405 S CA -0.815 57.393 58.200 0.013 0.000 1.087 405 S CB 0.547 63.751 63.200 0.006 0.000 1.019 405 S HN 0.748 nan 8.310 nan 0.000 0.480 406 W N 5.367 126.704 121.300 0.061 0.000 2.352 406 W HA -0.170 4.490 4.660 -0.000 0.000 0.322 406 W C 1.688 178.296 176.519 0.148 0.000 1.208 406 W CA 1.874 59.275 57.345 0.093 0.000 1.286 406 W CB -0.988 28.536 29.460 0.107 0.000 1.167 406 W HN 0.975 nan 8.180 nan 0.000 0.469 407 Y N 0.848 121.182 120.300 0.056 0.000 2.219 407 Y HA -0.356 4.194 4.550 -0.000 0.000 0.283 407 Y C 2.206 178.011 175.900 -0.158 0.000 1.191 407 Y CA 2.606 60.610 58.100 -0.161 0.000 1.199 407 Y CB -0.679 37.867 38.460 0.143 0.000 0.972 407 Y HN 0.036 nan 8.280 nan 0.000 0.527 408 L N -1.210 119.984 121.223 -0.049 0.000 2.023 408 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 408 L C 2.818 179.599 176.870 -0.149 0.000 1.073 408 L CA 1.021 55.821 54.840 -0.067 0.000 0.745 408 L CB -1.227 40.766 42.059 -0.110 0.000 0.900 408 L HN 0.238 nan 8.230 nan 0.000 0.435 409 A N -0.523 122.167 122.820 -0.216 0.000 1.948 409 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 409 A C 2.194 179.590 177.584 -0.313 0.000 1.177 409 A CA 1.859 53.760 52.037 -0.227 0.000 0.636 409 A CB -0.980 17.909 19.000 -0.185 0.000 0.815 409 A HN 0.472 nan 8.150 nan 0.000 0.449 410 Y N 2.038 121.934 120.300 -0.674 0.000 2.089 410 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 410 Y C 1.890 177.486 175.900 -0.506 0.000 1.139 410 Y CA 2.504 60.186 58.100 -0.696 0.000 1.123 410 Y CB -0.119 37.676 38.460 -1.108 0.000 0.980 410 Y HN 0.543 nan 8.280 nan 0.000 0.493 411 N N -2.664 115.792 118.700 -0.407 0.000 2.236 411 N HA -0.008 4.732 4.740 -0.000 0.000 0.196 411 N C 0.284 175.444 175.510 -0.583 0.000 1.114 411 N CA 0.512 53.265 53.050 -0.494 0.000 0.859 411 N CB -0.540 37.648 38.487 -0.498 0.000 0.982 411 N HN 0.408 nan 8.380 nan 0.000 0.493 412 Y N 0.121 120.241 120.300 -0.300 0.000 2.445 412 Y HA 0.477 5.027 4.550 -0.000 0.000 0.247 412 Y C 1.498 177.271 175.900 -0.212 0.000 1.129 412 Y CA -0.504 57.453 58.100 -0.238 0.000 1.251 412 Y CB 0.724 39.036 38.460 -0.246 0.000 1.176 412 Y HN 0.065 nan 8.280 nan 0.000 0.522 413 G N -0.788 107.940 108.800 -0.121 0.000 2.521 413 G HA2 0.110 4.070 3.960 -0.000 0.000 0.323 413 G HA3 0.110 4.070 3.960 -0.000 0.000 0.323 413 G C -1.121 173.703 174.900 -0.128 0.000 1.211 413 G CA -0.544 44.488 45.100 -0.114 0.000 0.979 413 G HN -0.057 nan 8.290 nan 0.000 0.490 414 D N 0.257 120.604 120.400 -0.089 0.000 2.554 414 D HA 0.032 4.672 4.640 -0.000 0.000 0.251 414 D C -1.160 175.075 176.300 -0.108 0.000 1.213 414 D CA -1.123 52.830 54.000 -0.079 0.000 0.900 414 D CB 1.367 42.140 40.800 -0.045 0.000 1.135 414 D HN -0.095 nan 8.370 nan 0.000 0.522 415 P HA -0.111 nan 4.420 nan 0.000 0.218 415 P C 1.094 178.329 177.300 -0.108 0.000 1.149 415 P CA 1.111 64.113 63.100 -0.164 0.000 0.817 415 P CB 0.274 31.874 31.700 -0.166 0.000 0.785 416 Q N -1.523 118.236 119.800 -0.068 0.000 2.187 416 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 416 Q C 1.738 177.732 176.000 -0.010 0.000 0.957 416 Q CA 1.846 57.627 55.803 -0.037 0.000 0.857 416 Q CB -0.253 28.467 28.738 -0.029 0.000 0.929 416 Q HN 0.346 nan 8.270 nan 0.000 0.453 417 T N -4.076 110.474 114.554 -0.008 0.000 2.958 417 T HA 0.232 4.582 4.350 -0.000 0.000 0.256 417 T C 1.067 175.798 174.700 0.052 0.000 0.983 417 T CA 0.211 62.324 62.100 0.022 0.000 0.924 417 T CB 0.344 69.218 68.868 0.010 0.000 1.136 417 T HN 0.159 nan 8.240 nan 0.000 0.506 418 G N 1.749 110.558 108.800 0.015 0.000 2.393 418 G HA2 0.362 4.322 3.960 -0.000 0.000 0.268 418 G HA3 0.362 4.322 3.960 -0.000 0.000 0.268 418 G C 0.679 175.645 174.900 0.110 0.000 1.472 418 G CA -0.083 45.031 45.100 0.022 0.000 1.059 418 G HN 0.189 nan 8.290 nan 0.000 0.555 419 I N -0.251 120.347 120.570 0.046 0.000 2.716 419 I HA 0.107 4.277 4.170 -0.000 0.000 0.259 419 I C 2.689 178.747 176.117 -0.099 0.000 1.172 419 I CA 0.314 61.646 61.300 0.053 0.000 1.478 419 I CB -0.322 37.722 38.000 0.074 0.000 1.104 419 I HN 0.510 nan 8.210 nan 0.000 0.439 420 R N -0.283 120.087 120.500 -0.218 0.000 2.303 420 R HA -0.159 4.181 4.340 -0.000 0.000 0.225 420 R C 2.215 178.401 176.300 -0.190 0.000 1.114 420 R CA 1.350 57.186 56.100 -0.441 0.000 1.007 420 R CB -0.159 29.641 30.300 -0.834 0.000 0.861 420 R HN 0.312 nan 8.270 nan 0.000 0.471 421 S N 0.114 115.799 115.700 -0.026 0.000 2.406 421 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 421 S C 1.072 175.797 174.600 0.208 0.000 1.020 421 S CA 0.871 59.127 58.200 0.092 0.000 0.965 421 S CB -0.063 63.236 63.200 0.165 0.000 0.798 421 S HN 0.703 nan 8.310 nan 0.000 0.488 422 W N 1.978 123.298 121.300 0.033 0.000 2.252 422 W HA 0.406 5.066 4.660 -0.000 0.000 0.338 422 W C -0.448 176.103 176.519 0.053 0.000 0.914 422 W CA 0.103 57.465 57.345 0.028 0.000 1.754 422 W CB -1.232 28.228 29.460 0.001 0.000 1.135 422 W HN 0.279 nan 8.180 nan 0.000 0.531 423 T N -0.999 113.395 114.554 -0.266 0.000 2.896 423 T HA 0.717 5.067 4.350 -0.000 0.000 0.297 423 T C -1.451 173.346 174.700 0.162 0.000 1.108 423 T CA -0.676 61.301 62.100 -0.204 0.000 1.004 423 T CB 2.912 71.594 68.868 -0.309 0.000 1.159 423 T HN 0.166 nan 8.240 nan 0.000 0.499 424 L N 2.135 123.448 121.223 0.149 0.000 2.385 424 L HA 0.638 4.978 4.340 -0.000 0.000 0.273 424 L C -1.229 175.665 176.870 0.040 0.000 0.990 424 L CA -1.443 53.510 54.840 0.188 0.000 0.821 424 L CB 1.840 43.957 42.059 0.097 0.000 1.279 424 L HN 0.795 nan 8.230 nan 0.000 0.412 425 L N 5.231 126.319 121.223 -0.225 0.000 2.385 425 L HA 0.365 4.705 4.340 -0.000 0.000 0.281 425 L C -0.775 176.011 176.870 -0.139 0.000 1.106 425 L CA 0.370 55.006 54.840 -0.340 0.000 0.856 425 L CB 0.116 41.661 42.059 -0.856 0.000 1.186 425 L HN 0.642 nan 8.230 nan 0.000 0.453 426 C N 1.688 120.964 119.300 -0.040 0.000 2.913 426 C HA 0.581 5.041 4.460 -0.000 0.000 0.322 426 C C 0.397 175.453 174.990 0.110 0.000 1.292 426 C CA -0.838 58.191 59.018 0.018 0.000 1.649 426 C CB 1.728 29.474 27.740 0.009 0.000 2.139 426 C HN 0.800 nan 8.230 nan 0.000 0.475 427 T N 3.501 118.093 114.554 0.063 0.000 2.928 427 T HA 0.104 4.454 4.350 -0.000 0.000 0.305 427 T C -1.464 173.258 174.700 0.037 0.000 1.035 427 T CA 0.088 62.228 62.100 0.067 0.000 1.145 427 T CB 0.388 69.270 68.868 0.023 0.000 0.963 427 T HN 0.567 nan 8.240 nan 0.000 0.545 428 P HA -0.152 nan 4.420 nan 0.000 0.201 428 P C 0.070 177.328 177.300 -0.070 0.000 1.046 428 P CA 1.208 64.266 63.100 -0.068 0.000 0.942 428 P CB 0.077 31.716 31.700 -0.100 0.000 0.733 429 D N -2.374 117.993 120.400 -0.056 0.000 4.874 429 D HA -0.104 4.536 4.640 -0.000 0.000 0.228 429 D C 0.550 176.812 176.300 -0.063 0.000 1.423 429 D CA 0.558 54.529 54.000 -0.047 0.000 1.130 429 D CB -0.621 40.152 40.800 -0.045 0.000 0.564 429 D HN 0.065 nan 8.370 nan 0.000 0.272 430 V N 2.473 122.361 119.914 -0.043 0.000 2.488 430 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 430 V C 2.655 178.713 176.094 -0.060 0.000 1.046 430 V CA 2.639 64.904 62.300 -0.057 0.000 1.053 430 V CB -1.128 30.683 31.823 -0.020 0.000 0.679 430 V HN 0.797 nan 8.190 nan 0.000 0.458 431 T N -3.083 111.456 114.554 -0.026 0.000 2.896 431 T HA -0.319 4.031 4.350 -0.000 0.000 0.270 431 T C 1.417 176.083 174.700 -0.056 0.000 1.104 431 T CA 1.426 63.512 62.100 -0.025 0.000 1.115 431 T CB -1.324 67.549 68.868 0.008 0.000 0.843 431 T HN 1.043 nan 8.240 nan 0.000 0.523 432 C N -0.286 118.972 119.300 -0.070 0.000 4.933 432 C HA 0.097 4.558 4.460 -0.000 0.000 0.249 432 C C 1.154 176.107 174.990 -0.062 0.000 1.406 432 C CA 0.560 59.528 59.018 -0.083 0.000 1.505 432 C CB -2.047 25.639 27.740 -0.090 0.000 1.870 432 C HN 1.800 nan 8.230 nan 0.000 0.651 433 G N 0.030 108.804 108.800 -0.042 0.000 2.661 433 G HA2 0.347 4.307 3.960 -0.000 0.000 0.262 433 G HA3 0.347 4.307 3.960 -0.000 0.000 0.262 433 G C -0.481 174.414 174.900 -0.008 0.000 1.310 433 G CA 0.037 45.121 45.100 -0.026 0.000 1.160 433 G HN 0.849 nan 8.290 nan 0.000 0.598 434 S N 2.405 118.109 115.700 0.006 0.000 2.714 434 S HA 0.237 4.707 4.470 -0.000 0.000 0.318 434 S C 0.476 175.101 174.600 0.041 0.000 1.219 434 S CA 0.206 58.423 58.200 0.028 0.000 1.175 434 S CB 0.637 63.854 63.200 0.028 0.000 0.961 434 S HN 0.539 nan 8.310 nan 0.000 0.518 435 E N 2.371 122.598 120.200 0.045 0.000 2.222 435 E HA 0.395 4.745 4.350 -0.000 0.000 0.267 435 E C -0.297 176.362 176.600 0.098 0.000 0.963 435 E CA -0.835 55.599 56.400 0.055 0.000 0.837 435 E CB 1.346 31.052 29.700 0.010 0.000 1.183 435 E HN 0.586 nan 8.360 nan 0.000 0.403 436 Q N -0.372 119.514 119.800 0.143 0.000 2.248 436 Q HA 0.651 4.991 4.340 -0.000 0.000 0.263 436 Q C -0.297 175.849 176.000 0.242 0.000 1.007 436 Q CA -1.085 54.846 55.803 0.213 0.000 0.877 436 Q CB 1.459 30.364 28.738 0.278 0.000 1.315 436 Q HN 0.285 nan 8.270 nan 0.000 0.454 437 V N -2.221 117.857 119.914 0.274 0.000 2.769 437 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 437 V C -1.245 175.108 176.094 0.431 0.000 1.061 437 V CA -0.942 61.491 62.300 0.222 0.000 0.931 437 V CB 1.168 33.018 31.823 0.045 0.000 1.010 437 V HN 0.814 nan 8.190 nan 0.000 0.433 438 Y N 1.189 121.488 120.300 -0.002 0.000 2.377 438 Y HA 0.578 5.128 4.550 -0.000 0.000 0.339 438 Y C -0.487 175.407 175.900 -0.009 0.000 1.011 438 Y CA -0.864 57.267 58.100 0.052 0.000 1.093 438 Y CB 2.103 40.605 38.460 0.069 0.000 1.201 438 Y HN 0.686 nan 8.280 nan 0.000 0.455 439 W N 1.208 122.557 121.300 0.083 0.000 2.390 439 W HA 0.589 5.249 4.660 -0.000 0.000 0.362 439 W C -0.709 175.777 176.519 -0.055 0.000 1.206 439 W CA -0.273 57.062 57.345 -0.017 0.000 1.355 439 W CB 1.665 31.039 29.460 -0.144 0.000 1.278 439 W HN 0.368 nan 8.180 nan 0.000 0.653 440 S N 0.740 116.568 115.700 0.213 0.000 2.563 440 S HA 0.487 4.957 4.470 -0.000 0.000 0.279 440 S C -1.158 173.399 174.600 -0.071 0.000 1.155 440 S CA -0.936 57.280 58.200 0.026 0.000 0.928 440 S CB 0.434 63.664 63.200 0.050 0.000 1.107 440 S HN 0.448 nan 8.310 nan 0.000 0.462 441 L N 1.772 122.910 121.223 -0.141 0.000 3.083 441 L HA 0.332 4.672 4.340 -0.000 0.000 0.286 441 L C -2.101 174.629 176.870 -0.232 0.000 1.307 441 L CA -1.952 52.778 54.840 -0.184 0.000 0.897 441 L CB 0.634 42.610 42.059 -0.138 0.000 1.306 441 L HN 0.398 nan 8.230 nan 0.000 0.569 442 P HA -0.278 nan 4.420 nan 0.000 0.229 442 P C 0.596 177.764 177.300 -0.219 0.000 1.152 442 P CA 1.731 64.620 63.100 -0.351 0.000 0.915 442 P CB 0.123 31.373 31.700 -0.750 0.000 0.784 443 D N -2.983 117.288 120.400 -0.214 0.000 2.340 443 D HA 0.125 4.765 4.640 -0.000 0.000 0.217 443 D C 1.462 177.696 176.300 -0.110 0.000 1.081 443 D CA 0.372 54.289 54.000 -0.139 0.000 0.842 443 D CB 0.166 40.886 40.800 -0.133 0.000 0.934 443 D HN 0.308 nan 8.370 nan 0.000 0.511 444 M N -0.726 118.804 119.600 -0.116 0.000 2.180 444 M HA 0.095 4.575 4.480 -0.000 0.000 0.289 444 M C -0.779 175.474 176.300 -0.078 0.000 1.089 444 M CA 0.220 55.462 55.300 -0.096 0.000 1.120 444 M CB 0.940 33.475 32.600 -0.108 0.000 1.864 444 M HN -0.242 nan 8.290 nan 0.000 0.636 445 M N 1.285 120.836 119.600 -0.082 0.000 2.644 445 M HA 0.444 4.924 4.480 -0.000 0.000 0.316 445 M C -0.496 175.779 176.300 -0.042 0.000 1.200 445 M CA -0.379 54.885 55.300 -0.060 0.000 0.944 445 M CB 1.215 33.769 32.600 -0.077 0.000 1.691 445 M HN 0.078 nan 8.290 nan 0.000 0.471 446 Q N 0.979 120.768 119.800 -0.017 0.000 2.354 446 Q HA 0.174 4.514 4.340 -0.000 0.000 0.244 446 Q C -0.880 175.120 176.000 -0.000 0.000 0.969 446 Q CA -0.310 55.493 55.803 -0.001 0.000 0.885 446 Q CB 0.789 29.534 28.738 0.012 0.000 1.241 446 Q HN 0.444 nan 8.270 nan 0.000 0.461 447 D N 3.541 123.955 120.400 0.025 0.000 2.338 447 D HA 0.165 4.805 4.640 -0.000 0.000 0.255 447 D C -2.230 174.137 176.300 0.112 0.000 1.237 447 D CA -1.325 52.708 54.000 0.055 0.000 0.883 447 D CB 0.235 41.092 40.800 0.095 0.000 1.087 447 D HN 0.109 nan 8.370 nan 0.000 0.485 448 P HA -0.140 nan 4.420 nan 0.000 0.259 448 P C 1.214 178.691 177.300 0.295 0.000 1.163 448 P CA -0.039 63.181 63.100 0.200 0.000 0.760 448 P CB 0.669 32.484 31.700 0.193 0.000 0.762 449 V N 2.827 122.832 119.914 0.152 0.000 2.275 449 V HA -0.428 3.692 4.120 -0.000 0.000 0.165 449 V C 1.884 178.019 176.094 0.068 0.000 0.956 449 V CA 2.962 65.316 62.300 0.089 0.000 1.690 449 V CB -2.417 29.440 31.823 0.057 0.000 1.014 449 V HN 0.799 nan 8.190 nan 0.000 0.453 450 T N -2.833 111.725 114.554 0.007 0.000 3.069 450 T HA 0.371 4.721 4.350 -0.000 0.000 0.252 450 T C 0.020 174.636 174.700 -0.140 0.000 1.053 450 T CA -0.134 61.911 62.100 -0.093 0.000 0.964 450 T CB -0.297 68.463 68.868 -0.179 0.000 1.005 450 T HN 0.234 nan 8.240 nan 0.000 0.532 451 F N 3.212 123.185 119.950 0.039 0.000 2.410 451 F HA 0.461 4.988 4.527 -0.000 0.000 0.334 451 F C 1.125 176.953 175.800 0.048 0.000 1.134 451 F CA -1.200 56.831 58.000 0.052 0.000 1.227 451 F CB 0.798 39.839 39.000 0.069 0.000 1.194 451 F HN 0.057 nan 8.300 nan 0.000 0.571 452 R N 0.077 120.714 120.500 0.229 0.000 2.664 452 R HA 0.661 5.001 4.340 -0.000 0.000 0.286 452 R C -0.959 175.443 176.300 0.170 0.000 0.967 452 R CA -0.936 55.254 56.100 0.150 0.000 0.933 452 R CB 1.270 31.625 30.300 0.092 0.000 1.146 452 R HN 0.639 nan 8.270 nan 0.000 0.468 453 S N 1.027 116.806 115.700 0.132 0.000 2.548 453 S HA 0.263 4.733 4.470 -0.000 0.000 0.277 453 S C 0.027 174.706 174.600 0.131 0.000 1.315 453 S CA -0.388 57.893 58.200 0.134 0.000 1.050 453 S CB 1.484 64.741 63.200 0.095 0.000 0.918 453 S HN 0.772 nan 8.310 nan 0.000 0.497 454 T N 0.093 114.752 114.554 0.176 0.000 2.647 454 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 454 T C 0.154 174.979 174.700 0.209 0.000 1.126 454 T CA -0.033 62.150 62.100 0.138 0.000 1.040 454 T CB 0.902 69.817 68.868 0.078 0.000 1.472 454 T HN 0.891 nan 8.240 nan 0.000 0.500 455 S N -0.046 115.722 115.700 0.114 0.000 2.819 455 S HA 0.267 4.737 4.470 -0.000 0.000 0.249 455 S C 0.308 174.856 174.600 -0.087 0.000 1.030 455 S CA -0.380 57.910 58.200 0.150 0.000 1.052 455 S CB -0.072 63.195 63.200 0.111 0.000 1.017 455 S HN 0.683 nan 8.310 nan 0.000 0.576 456 Q N 2.205 121.862 119.800 -0.239 0.000 2.472 456 Q HA 0.270 4.610 4.340 -0.000 0.000 0.227 456 Q C 0.926 176.497 176.000 -0.715 0.000 1.156 456 Q CA -0.523 55.086 55.803 -0.324 0.000 0.924 456 Q CB -0.043 28.590 28.738 -0.176 0.000 1.354 456 Q HN 0.451 nan 8.270 nan 0.000 0.525 457 I N 1.336 121.415 120.570 -0.818 0.000 2.292 457 I HA -0.388 3.782 4.170 -0.000 0.000 0.255 457 I C 1.445 177.212 176.117 -0.583 0.000 1.078 457 I CA 1.999 62.747 61.300 -0.919 0.000 1.365 457 I CB -1.361 36.487 38.000 -0.253 0.000 1.049 457 I HN 0.520 nan 8.210 nan 0.000 0.439 458 S N -0.834 114.656 115.700 -0.351 0.000 2.685 458 S HA 0.231 4.701 4.470 -0.000 0.000 0.240 458 S C 0.858 175.377 174.600 -0.135 0.000 0.967 458 S CA 0.052 58.145 58.200 -0.178 0.000 1.009 458 S CB -1.086 62.051 63.200 -0.105 0.000 0.776 458 S HN 0.776 nan 8.310 nan 0.000 0.467 459 N N -0.542 118.040 118.700 -0.197 0.000 1.958 459 N HA 0.210 4.950 4.740 -0.000 0.000 0.223 459 N C -0.964 174.589 175.510 0.072 0.000 1.395 459 N CA -0.255 52.776 53.050 -0.031 0.000 0.737 459 N CB 0.296 38.768 38.487 -0.026 0.000 1.155 459 N HN 0.148 nan 8.380 nan 0.000 0.529 460 F N 2.296 122.273 119.950 0.044 0.000 2.657 460 F HA 0.118 4.645 4.527 -0.000 0.000 0.347 460 F C -1.664 174.123 175.800 -0.021 0.000 1.180 460 F CA -0.905 57.104 58.000 0.015 0.000 1.383 460 F CB -0.302 38.692 39.000 -0.010 0.000 1.077 460 F HN 0.006 nan 8.300 nan 0.000 0.622 461 P HA 0.186 nan 4.420 nan 0.000 0.274 461 P C -0.971 176.093 177.300 -0.394 0.000 1.231 461 P CA -0.192 62.748 63.100 -0.266 0.000 0.790 461 P CB 0.730 32.340 31.700 -0.150 0.000 0.951 462 V N 2.498 121.884 119.914 -0.881 0.000 2.532 462 V HA 0.218 4.338 4.120 -0.000 0.000 0.295 462 V C 1.202 177.092 176.094 -0.340 0.000 1.041 462 V CA -0.120 61.937 62.300 -0.405 0.000 0.926 462 V CB 1.628 33.304 31.823 -0.245 0.000 0.992 462 V HN 0.494 nan 8.190 nan 0.000 0.457 463 V N 0.121 119.939 119.914 -0.161 0.000 3.485 463 V HA 0.736 4.856 4.120 -0.000 0.000 0.280 463 V C 0.515 176.510 176.094 -0.165 0.000 1.495 463 V CA 0.575 62.783 62.300 -0.154 0.000 1.018 463 V CB 0.367 32.097 31.823 -0.155 0.000 0.818 463 V HN 0.999 nan 8.190 nan 0.000 0.436 464 G N -0.279 108.436 108.800 -0.142 0.000 2.755 464 G HA2 0.757 4.717 3.960 -0.000 0.000 0.297 464 G HA3 0.757 4.717 3.960 -0.000 0.000 0.297 464 G C -1.180 173.766 174.900 0.077 0.000 1.441 464 G CA 0.021 45.008 45.100 -0.188 0.000 0.964 464 G HN 0.822 nan 8.290 nan 0.000 0.540 465 A N 0.973 123.884 122.820 0.150 0.000 2.356 465 A HA 0.987 5.307 4.320 -0.000 0.000 0.323 465 A C -0.362 177.410 177.584 0.313 0.000 1.119 465 A CA -0.586 51.528 52.037 0.127 0.000 0.790 465 A CB 2.032 20.957 19.000 -0.126 0.000 1.273 465 A HN 1.118 nan 8.150 nan 0.000 0.452 466 E N 1.461 121.849 120.200 0.313 0.000 2.378 466 E HA 0.398 4.748 4.350 -0.000 0.000 0.283 466 E C -1.950 174.793 176.600 0.238 0.000 0.979 466 E CA -0.758 55.824 56.400 0.303 0.000 0.795 466 E CB 1.162 31.142 29.700 0.467 0.000 1.221 466 E HN 0.573 nan 8.360 nan 0.000 0.428 467 L N 3.305 124.642 121.223 0.189 0.000 2.456 467 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 467 L C -0.378 176.594 176.870 0.172 0.000 1.189 467 L CA -0.173 54.766 54.840 0.165 0.000 0.846 467 L CB 0.727 42.870 42.059 0.140 0.000 1.111 467 L HN 0.619 nan 8.230 nan 0.000 0.475 468 L N 8.217 129.529 121.223 0.147 0.000 2.456 468 L HA 0.300 4.640 4.340 -0.000 0.000 0.277 468 L C -1.913 175.044 176.870 0.146 0.000 1.124 468 L CA -1.509 53.412 54.840 0.134 0.000 0.880 468 L CB -0.221 41.901 42.059 0.106 0.000 1.192 468 L HN 0.503 nan 8.230 nan 0.000 0.463 469 P HA -0.080 nan 4.420 nan 0.000 0.148 469 P C -1.330 176.047 177.300 0.129 0.000 0.993 469 P CA 0.614 63.800 63.100 0.143 0.000 1.195 469 P CB -0.410 31.381 31.700 0.153 0.000 1.599 470 V N 1.586 121.620 119.914 0.201 0.000 2.711 470 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 470 V C -0.136 176.188 176.094 0.383 0.000 1.097 470 V CA -0.728 61.691 62.300 0.198 0.000 0.906 470 V CB 1.941 33.842 31.823 0.131 0.000 1.015 470 V HN 0.343 nan 8.190 nan 0.000 0.427 471 H N 1.116 120.224 119.070 0.063 0.000 2.797 471 H HA 0.577 5.133 4.556 -0.000 0.000 0.362 471 H C -0.665 174.690 175.328 0.045 0.000 1.183 471 H CA -0.968 55.107 56.048 0.046 0.000 1.197 471 H CB 2.316 32.101 29.762 0.038 0.000 1.835 471 H HN 0.561 nan 8.280 nan 0.000 0.567 472 S N 1.967 117.739 115.700 0.119 0.000 2.488 472 S HA 0.109 4.579 4.470 -0.000 0.000 0.310 472 S C 0.006 174.635 174.600 0.048 0.000 1.093 472 S CA -0.661 57.583 58.200 0.073 0.000 1.129 472 S CB 0.269 63.480 63.200 0.020 0.000 0.989 472 S HN 0.268 nan 8.310 nan 0.000 0.479 473 K N 2.099 122.541 120.400 0.070 0.000 2.249 473 K HA 0.376 4.696 4.320 -0.000 0.000 0.280 473 K C -0.275 176.251 176.600 -0.124 0.000 1.033 473 K CA -0.072 56.178 56.287 -0.063 0.000 0.946 473 K CB 1.104 33.592 32.500 -0.022 0.000 1.005 473 K HN 0.438 nan 8.250 nan 0.000 0.469 474 S N 3.088 118.592 115.700 -0.327 0.000 2.482 474 S HA 0.634 5.104 4.470 -0.000 0.000 0.303 474 S C -0.846 173.489 174.600 -0.441 0.000 1.091 474 S CA -0.609 57.467 58.200 -0.206 0.000 1.057 474 S CB 0.571 63.717 63.200 -0.091 0.000 1.031 474 S HN 0.353 nan 8.310 nan 0.000 0.485 475 F N 0.953 120.925 119.950 0.038 0.000 2.654 475 F HA 0.555 5.082 4.527 -0.000 0.000 0.334 475 F C -0.687 175.174 175.800 0.101 0.000 1.078 475 F CA -1.077 56.961 58.000 0.062 0.000 0.986 475 F CB 0.933 39.954 39.000 0.035 0.000 1.362 475 F HN 0.497 nan 8.300 nan 0.000 0.498 476 Y N 2.259 122.685 120.300 0.210 0.000 2.331 476 Y HA 0.403 4.953 4.550 -0.000 0.000 0.334 476 Y C -0.739 175.210 175.900 0.082 0.000 0.960 476 Y CA -1.153 57.006 58.100 0.100 0.000 1.130 476 Y CB 0.997 39.490 38.460 0.055 0.000 1.164 476 Y HN 0.534 nan 8.280 nan 0.000 0.458 477 N N 3.688 122.159 118.700 -0.382 0.000 2.750 477 N HA 0.099 4.839 4.740 -0.000 0.000 0.253 477 N C -0.546 174.755 175.510 -0.349 0.000 1.408 477 N CA -0.432 52.489 53.050 -0.215 0.000 0.780 477 N CB 0.582 38.998 38.487 -0.119 0.000 1.191 477 N HN 0.627 nan 8.380 nan 0.000 0.511 478 D N 0.571 120.753 120.400 -0.363 0.000 2.384 478 D HA -0.098 4.542 4.640 -0.000 0.000 0.222 478 D C 1.105 177.366 176.300 -0.064 0.000 0.976 478 D CA 0.783 54.662 54.000 -0.201 0.000 0.915 478 D CB 0.415 41.286 40.800 0.118 0.000 0.896 478 D HN 0.415 nan 8.370 nan 0.000 0.523 479 Q N -0.071 119.706 119.800 -0.038 0.000 2.500 479 Q HA 0.040 4.380 4.340 -0.000 0.000 0.213 479 Q C 0.548 176.583 176.000 0.058 0.000 0.974 479 Q CA 0.148 55.977 55.803 0.044 0.000 0.918 479 Q CB -0.252 28.509 28.738 0.040 0.000 0.980 479 Q HN 0.188 nan 8.270 nan 0.000 0.505 480 A N 0.126 122.935 122.820 -0.019 0.000 2.440 480 A HA 0.295 4.615 4.320 -0.000 0.000 0.251 480 A C 1.222 178.826 177.584 0.034 0.000 1.089 480 A CA 0.081 52.106 52.037 -0.020 0.000 0.779 480 A CB 0.511 19.462 19.000 -0.082 0.000 1.022 480 A HN 0.136 nan 8.150 nan 0.000 0.492 481 V N 0.456 120.392 119.914 0.037 0.000 2.070 481 V HA -0.334 3.786 4.120 -0.000 0.000 0.100 481 V C 1.032 177.190 176.094 0.107 0.000 0.533 481 V CA 2.599 64.931 62.300 0.054 0.000 1.406 481 V CB -2.708 29.143 31.823 0.047 0.000 1.610 481 V HN 1.169 nan 8.190 nan 0.000 0.921 482 Y N -0.607 119.701 120.300 0.013 0.000 2.498 482 Y HA 0.314 4.864 4.550 -0.000 0.000 0.259 482 Y C 2.101 178.024 175.900 0.037 0.000 1.086 482 Y CA 1.558 59.675 58.100 0.029 0.000 1.287 482 Y CB 0.864 39.336 38.460 0.021 0.000 1.146 482 Y HN 0.186 nan 8.280 nan 0.000 0.523 483 S N -0.168 115.620 115.700 0.148 0.000 2.387 483 S HA -0.146 4.324 4.470 -0.000 0.000 0.221 483 S C 2.052 176.675 174.600 0.037 0.000 1.041 483 S CA 1.088 59.339 58.200 0.086 0.000 0.959 483 S CB -0.424 62.815 63.200 0.065 0.000 0.843 483 S HN 0.700 nan 8.310 nan 0.000 0.488 484 Q N 0.358 120.171 119.800 0.022 0.000 2.133 484 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 484 Q C 2.123 178.138 176.000 0.024 0.000 0.991 484 Q CA 1.976 57.783 55.803 0.007 0.000 0.867 484 Q CB -0.504 28.234 28.738 0.001 0.000 0.911 484 Q HN 0.527 nan 8.270 nan 0.000 0.417 485 L N 0.494 121.731 121.223 0.023 0.000 2.012 485 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 485 L C 2.191 179.171 176.870 0.184 0.000 1.073 485 L CA 1.785 56.657 54.840 0.053 0.000 0.748 485 L CB -0.211 41.796 42.059 -0.087 0.000 0.891 485 L HN 0.382 nan 8.230 nan 0.000 0.431 486 I N -1.632 118.992 120.570 0.090 0.000 2.703 486 I HA -0.096 4.074 4.170 -0.000 0.000 0.259 486 I C 2.551 178.775 176.117 0.178 0.000 1.151 486 I CA 0.361 61.764 61.300 0.172 0.000 1.470 486 I CB -0.297 37.727 38.000 0.039 0.000 1.112 486 I HN 0.221 nan 8.210 nan 0.000 0.437 487 R N 1.298 121.848 120.500 0.084 0.000 2.105 487 R HA -0.229 4.111 4.340 -0.000 0.000 0.239 487 R C 2.167 178.468 176.300 0.003 0.000 1.135 487 R CA 1.736 57.859 56.100 0.038 0.000 0.967 487 R CB -0.118 30.184 30.300 0.003 0.000 0.861 487 R HN 0.429 nan 8.270 nan 0.000 0.442 488 Q N -0.949 118.821 119.800 -0.050 0.000 2.170 488 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 488 Q C 1.715 177.467 176.000 -0.414 0.000 0.976 488 Q CA 1.676 57.322 55.803 -0.262 0.000 0.858 488 Q CB -0.018 28.519 28.738 -0.335 0.000 0.907 488 Q HN 0.375 nan 8.270 nan 0.000 0.433 489 F N -0.739 119.154 119.950 -0.094 0.000 2.335 489 F HA -0.047 4.480 4.527 -0.000 0.000 0.296 489 F C 2.448 178.211 175.800 -0.062 0.000 1.091 489 F CA 0.854 58.808 58.000 -0.077 0.000 1.399 489 F CB -0.345 38.633 39.000 -0.037 0.000 1.067 489 F HN -0.058 nan 8.300 nan 0.000 0.520 490 T N -0.350 114.283 114.554 0.131 0.000 2.708 490 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 490 T C 1.071 175.783 174.700 0.020 0.000 1.037 490 T CA 1.417 63.557 62.100 0.067 0.000 1.146 490 T CB -0.589 68.310 68.868 0.052 0.000 0.865 490 T HN 0.226 nan 8.240 nan 0.000 0.435 491 S N 1.965 117.657 115.700 -0.013 0.000 2.474 491 S HA 0.339 4.809 4.470 -0.000 0.000 0.276 491 S C 0.950 175.499 174.600 -0.085 0.000 1.227 491 S CA -0.562 57.621 58.200 -0.029 0.000 1.050 491 S CB 0.391 63.586 63.200 -0.008 0.000 0.939 491 S HN 0.318 nan 8.310 nan 0.000 0.490 492 L N 2.382 123.572 121.223 -0.056 0.000 2.642 492 L HA 0.026 4.366 4.340 -0.000 0.000 0.236 492 L C 0.476 177.271 176.870 -0.126 0.000 1.169 492 L CA 0.402 55.200 54.840 -0.069 0.000 0.851 492 L CB -1.211 40.835 42.059 -0.023 0.000 0.968 492 L HN 0.702 nan 8.230 nan 0.000 0.453 493 T N -3.184 111.265 114.554 -0.174 0.000 2.909 493 T HA 0.301 4.651 4.350 -0.000 0.000 0.299 493 T C -0.360 174.179 174.700 -0.270 0.000 1.073 493 T CA -0.580 61.409 62.100 -0.185 0.000 0.999 493 T CB 1.514 70.330 68.868 -0.087 0.000 1.098 493 T HN -0.006 nan 8.240 nan 0.000 0.477 494 H N 0.749 119.770 119.070 -0.082 0.000 2.727 494 H HA 0.295 4.851 4.556 -0.000 0.000 0.312 494 H C 1.595 176.862 175.328 -0.101 0.000 1.204 494 H CA -0.310 55.691 56.048 -0.078 0.000 1.122 494 H CB -0.633 29.081 29.762 -0.079 0.000 1.453 494 H HN 0.276 nan 8.280 nan 0.000 0.514 495 V N -0.490 119.358 119.914 -0.109 0.000 2.380 495 V HA -0.300 3.820 4.120 -0.000 0.000 0.251 495 V C 1.497 177.333 176.094 -0.430 0.000 1.063 495 V CA 1.857 63.968 62.300 -0.315 0.000 1.055 495 V CB -0.497 30.987 31.823 -0.565 0.000 0.657 495 V HN 0.515 nan 8.190 nan 0.000 0.455 496 F N -0.385 119.529 119.950 -0.060 0.000 2.569 496 F HA 0.140 4.667 4.527 -0.000 0.000 0.295 496 F C 1.928 177.650 175.800 -0.131 0.000 1.115 496 F CA 0.851 58.796 58.000 -0.092 0.000 1.450 496 F CB -0.218 38.738 39.000 -0.074 0.000 1.107 496 F HN 0.160 nan 8.300 nan 0.000 0.563 497 N N 0.391 119.129 118.700 0.063 0.000 2.276 497 N HA 0.044 4.784 4.740 -0.000 0.000 0.212 497 N C 1.234 176.709 175.510 -0.058 0.000 1.127 497 N CA -0.011 53.043 53.050 0.006 0.000 0.834 497 N CB -0.157 38.379 38.487 0.080 0.000 1.014 497 N HN 0.007 nan 8.380 nan 0.000 0.491 498 R N -0.394 120.020 120.500 -0.143 0.000 2.338 498 R HA -0.222 4.118 4.340 -0.000 0.000 0.272 498 R C 0.049 176.562 176.300 0.355 0.000 1.180 498 R CA 1.471 57.546 56.100 -0.041 0.000 1.020 498 R CB -0.573 29.602 30.300 -0.207 0.000 0.885 498 R HN 0.394 nan 8.270 nan 0.000 0.488 499 F N 0.650 120.610 119.950 0.016 0.000 2.798 499 F HA 0.252 4.779 4.527 -0.000 0.000 0.333 499 F C -1.462 174.356 175.800 0.030 0.000 1.324 499 F CA -2.280 55.731 58.000 0.019 0.000 1.183 499 F CB 0.892 39.906 39.000 0.023 0.000 1.132 499 F HN -0.143 nan 8.300 nan 0.000 0.521 500 P HA -0.138 nan 4.420 nan 0.000 0.261 500 P C -0.047 177.317 177.300 0.106 0.000 1.277 500 P CA 1.256 64.412 63.100 0.094 0.000 0.748 500 P CB 0.154 31.861 31.700 0.012 0.000 1.062 501 E N -1.271 119.017 120.200 0.147 0.000 2.520 501 E HA 0.046 4.396 4.350 -0.000 0.000 0.201 501 E C 0.856 177.582 176.600 0.210 0.000 0.894 501 E CA -0.256 56.230 56.400 0.143 0.000 1.161 501 E CB -0.862 28.905 29.700 0.112 0.000 1.137 501 E HN 0.041 nan 8.360 nan 0.000 0.510 502 N N 2.581 121.429 118.700 0.247 0.000 2.374 502 N HA -0.107 4.633 4.740 -0.000 0.000 0.269 502 N C 0.497 176.151 175.510 0.240 0.000 1.310 502 N CA 0.245 53.480 53.050 0.308 0.000 0.877 502 N CB 0.640 39.287 38.487 0.267 0.000 1.096 502 N HN 0.090 nan 8.380 nan 0.000 0.484 503 Q N 2.841 122.801 119.800 0.267 0.000 2.368 503 Q HA -0.106 4.234 4.340 -0.000 0.000 0.210 503 Q C 1.095 177.271 176.000 0.293 0.000 0.982 503 Q CA 1.049 57.031 55.803 0.299 0.000 0.884 503 Q CB 0.170 29.149 28.738 0.402 0.000 0.933 503 Q HN 0.666 nan 8.270 nan 0.000 0.460 504 I N -0.538 120.078 120.570 0.077 0.000 3.284 504 I HA -0.146 4.024 4.170 -0.000 0.000 0.231 504 I C 1.909 178.035 176.117 0.016 0.000 1.041 504 I CA 0.484 61.762 61.300 -0.037 0.000 1.478 504 I CB -0.843 36.984 38.000 -0.289 0.000 1.340 504 I HN 0.020 nan 8.210 nan 0.000 0.449 505 L N 1.169 122.412 121.223 0.033 0.000 2.683 505 L HA -0.179 4.161 4.340 -0.000 0.000 0.236 505 L C 1.327 178.260 176.870 0.105 0.000 1.179 505 L CA 0.119 55.035 54.840 0.127 0.000 0.822 505 L CB -1.464 40.863 42.059 0.447 0.000 0.952 505 L HN 0.277 nan 8.230 nan 0.000 0.455 506 A N 0.745 123.637 122.820 0.121 0.000 2.407 506 A HA 0.083 4.403 4.320 -0.000 0.000 0.257 506 A C 0.833 178.440 177.584 0.038 0.000 1.131 506 A CA -0.084 52.011 52.037 0.096 0.000 0.803 506 A CB 0.040 19.113 19.000 0.122 0.000 1.083 506 A HN 0.357 nan 8.150 nan 0.000 0.512 507 R N 0.439 120.957 120.500 0.030 0.000 2.216 507 R HA 0.322 4.662 4.340 -0.000 0.000 0.332 507 R C -2.606 173.700 176.300 0.009 0.000 1.056 507 R CA -1.555 54.553 56.100 0.014 0.000 0.901 507 R CB 0.121 30.435 30.300 0.024 0.000 1.039 507 R HN 0.395 nan 8.270 nan 0.000 0.456 508 P HA -0.027 nan 4.420 nan 0.000 0.266 508 P C -2.493 174.787 177.300 -0.033 0.000 1.186 508 P CA -0.545 62.544 63.100 -0.017 0.000 0.767 508 P CB 0.136 31.825 31.700 -0.017 0.000 0.820 509 P HA 0.134 nan 4.420 nan 0.000 0.271 509 P C -0.752 176.522 177.300 -0.044 0.000 1.218 509 P CA 0.001 63.083 63.100 -0.030 0.000 0.780 509 P CB 0.446 32.132 31.700 -0.023 0.000 0.901 510 A N 4.887 127.680 122.820 -0.045 0.000 2.409 510 A HA 0.477 4.797 4.320 -0.000 0.000 0.262 510 A C -2.080 175.466 177.584 -0.063 0.000 1.113 510 A CA -1.340 50.658 52.037 -0.066 0.000 0.790 510 A CB -0.588 18.371 19.000 -0.068 0.000 1.046 510 A HN 0.407 nan 8.150 nan 0.000 0.496 511 P HA 0.249 nan 4.420 nan 0.000 0.282 511 P C -0.109 177.122 177.300 -0.116 0.000 1.249 511 P CA -0.117 62.936 63.100 -0.077 0.000 0.806 511 P CB 0.950 32.606 31.700 -0.075 0.000 0.984 512 T N -0.285 114.178 114.554 -0.151 0.000 2.919 512 T HA 0.353 4.703 4.350 -0.000 0.000 0.302 512 T C 0.521 175.110 174.700 -0.184 0.000 1.031 512 T CA -0.307 61.619 62.100 -0.289 0.000 1.127 512 T CB -0.481 68.164 68.868 -0.372 0.000 0.952 512 T HN 0.327 nan 8.240 nan 0.000 0.540 513 I N 0.975 121.442 120.570 -0.172 0.000 6.568 513 I HA -0.158 4.012 4.170 -0.000 0.000 0.126 513 I C 0.765 176.886 176.117 0.008 0.000 1.827 513 I CA 0.579 61.874 61.300 -0.007 0.000 2.037 513 I CB -2.206 35.810 38.000 0.028 0.000 3.509 513 I HN 1.126 nan 8.210 nan 0.000 0.169 514 T N 0.802 115.385 114.554 0.049 0.000 2.918 514 T HA 0.857 5.207 4.350 -0.000 0.000 0.283 514 T C 0.335 175.117 174.700 0.136 0.000 1.001 514 T CA -0.608 61.520 62.100 0.047 0.000 1.041 514 T CB 1.891 70.766 68.868 0.012 0.000 1.028 514 T HN 0.422 nan 8.240 nan 0.000 0.511 515 T N 0.892 115.501 114.554 0.092 0.000 2.912 515 T HA 0.674 5.024 4.350 -0.000 0.000 0.288 515 T C -0.854 173.930 174.700 0.139 0.000 1.030 515 T CA -0.702 61.471 62.100 0.121 0.000 1.020 515 T CB 1.617 70.512 68.868 0.047 0.000 1.056 515 T HN 0.614 nan 8.240 nan 0.000 0.480 516 V N 2.178 122.208 119.914 0.193 0.000 2.711 516 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 516 V C 0.070 176.287 176.094 0.205 0.000 1.097 516 V CA -1.168 61.251 62.300 0.198 0.000 0.906 516 V CB 2.181 34.124 31.823 0.199 0.000 1.015 516 V HN 1.119 nan 8.190 nan 0.000 0.427 517 S N 3.320 119.162 115.700 0.237 0.000 2.549 517 S HA 0.444 4.914 4.470 -0.000 0.000 0.283 517 S C -0.369 174.361 174.600 0.216 0.000 1.320 517 S CA -0.151 58.179 58.200 0.217 0.000 1.058 517 S CB 1.040 64.366 63.200 0.210 0.000 0.882 517 S HN 0.884 nan 8.310 nan 0.000 0.498 518 E N 2.311 122.608 120.200 0.162 0.000 2.275 518 E HA 0.238 4.588 4.350 -0.000 0.000 0.270 518 E C -1.088 175.568 176.600 0.094 0.000 0.882 518 E CA -0.711 55.754 56.400 0.109 0.000 0.758 518 E CB 1.072 30.838 29.700 0.110 0.000 1.195 518 E HN 0.764 nan 8.360 nan 0.000 0.419 519 N N 2.311 121.058 118.700 0.080 0.000 2.529 519 N HA 0.278 5.018 4.740 -0.000 0.000 0.278 519 N C -1.282 174.295 175.510 0.112 0.000 1.146 519 N CA -0.003 53.103 53.050 0.094 0.000 0.980 519 N CB 1.897 40.432 38.487 0.081 0.000 1.124 519 N HN 0.253 nan 8.380 nan 0.000 0.458 520 V N 4.246 124.218 119.914 0.097 0.000 2.808 520 V HA 0.436 4.556 4.120 -0.000 0.000 0.308 520 V C -2.370 173.781 176.094 0.096 0.000 1.099 520 V CA -1.900 60.422 62.300 0.036 0.000 0.920 520 V CB 2.560 34.273 31.823 -0.183 0.000 1.014 520 V HN 0.546 nan 8.190 nan 0.000 0.425 521 P HA 0.291 nan 4.420 nan 0.000 0.268 521 P C -0.958 176.345 177.300 0.005 0.000 1.205 521 P CA -0.091 62.962 63.100 -0.078 0.000 0.771 521 P CB 1.319 32.826 31.700 -0.322 0.000 0.858 522 A N 4.601 127.469 122.820 0.079 0.000 2.323 522 A HA 0.417 4.737 4.320 -0.000 0.000 0.305 522 A C 0.040 177.678 177.584 0.089 0.000 1.275 522 A CA -0.751 51.337 52.037 0.085 0.000 0.804 522 A CB 0.170 19.251 19.000 0.135 0.000 1.152 522 A HN 0.525 nan 8.150 nan 0.000 0.487 523 L N 3.296 124.546 121.223 0.045 0.000 2.387 523 L HA 0.186 4.526 4.340 -0.000 0.000 0.267 523 L C 1.015 177.889 176.870 0.007 0.000 1.197 523 L CA -0.051 54.805 54.840 0.027 0.000 1.070 523 L CB 0.234 42.297 42.059 0.007 0.000 1.349 523 L HN 0.796 nan 8.230 nan 0.000 0.422 524 T N 0.735 115.293 114.554 0.007 0.000 2.824 524 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 524 T C -0.608 173.974 174.700 -0.196 0.000 0.975 524 T CA -0.416 61.634 62.100 -0.083 0.000 0.966 524 T CB 1.129 69.959 68.868 -0.063 0.000 1.054 524 T HN 0.511 nan 8.240 nan 0.000 0.533 525 D N 0.815 121.009 120.400 -0.344 0.000 2.613 525 D HA 0.179 4.819 4.640 -0.000 0.000 0.230 525 D C -0.841 175.205 176.300 -0.423 0.000 1.365 525 D CA -0.410 53.402 54.000 -0.313 0.000 0.976 525 D CB 0.683 41.395 40.800 -0.148 0.000 1.415 525 D HN 0.600 nan 8.370 nan 0.000 0.589 526 H N 1.058 120.068 119.070 -0.100 0.000 2.505 526 H HA 0.504 5.060 4.556 -0.000 0.000 0.358 526 H C 0.963 176.248 175.328 -0.072 0.000 1.304 526 H CA -0.338 55.655 56.048 -0.091 0.000 1.393 526 H CB 1.090 30.763 29.762 -0.148 0.000 1.591 526 H HN 0.439 nan 8.280 nan 0.000 0.595 527 G N -0.351 108.488 108.800 0.065 0.000 2.535 527 G HA2 0.213 4.173 3.960 -0.000 0.000 0.282 527 G HA3 0.213 4.173 3.960 -0.000 0.000 0.282 527 G C -0.322 174.586 174.900 0.012 0.000 1.350 527 G CA -0.505 44.607 45.100 0.020 0.000 1.039 527 G HN 0.623 nan 8.290 nan 0.000 0.509 528 T N -0.940 113.617 114.554 0.005 0.000 2.901 528 T HA 0.519 4.869 4.350 -0.000 0.000 0.301 528 T C 0.018 174.721 174.700 0.005 0.000 1.012 528 T CA -0.196 61.907 62.100 0.005 0.000 1.135 528 T CB 0.663 69.536 68.868 0.009 0.000 0.936 528 T HN 0.283 nan 8.240 nan 0.000 0.539 529 L N 3.445 124.668 121.223 0.000 0.000 2.354 529 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 529 L C -2.485 174.393 176.870 0.012 0.000 1.008 529 L CA -3.050 51.787 54.840 -0.004 0.000 0.819 529 L CB 2.462 44.502 42.059 -0.032 0.000 1.339 529 L HN 0.403 nan 8.230 nan 0.000 0.420 530 P HA 0.231 nan 4.420 nan 0.000 0.269 530 P C -1.031 176.292 177.300 0.039 0.000 1.209 530 P CA 0.036 63.160 63.100 0.039 0.000 0.776 530 P CB 0.607 32.318 31.700 0.019 0.000 0.876 531 L N 2.093 123.364 121.223 0.081 0.000 2.286 531 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 531 L C 0.815 177.721 176.870 0.060 0.000 1.012 531 L CA -1.153 53.716 54.840 0.048 0.000 0.818 531 L CB 1.430 43.515 42.059 0.043 0.000 1.337 531 L HN 0.208 nan 8.230 nan 0.000 0.438 532 R N 0.465 120.972 120.500 0.012 0.000 2.459 532 R HA 0.209 4.549 4.340 -0.000 0.000 0.281 532 R C -0.099 176.198 176.300 -0.004 0.000 1.050 532 R CA -0.602 55.510 56.100 0.019 0.000 1.055 532 R CB 0.589 30.883 30.300 -0.009 0.000 1.045 532 R HN 0.493 nan 8.270 nan 0.000 0.495 533 N N -0.099 118.616 118.700 0.025 0.000 2.515 533 N HA -0.065 4.675 4.740 -0.000 0.000 0.191 533 N C -0.653 174.812 175.510 -0.075 0.000 1.182 533 N CA 0.287 53.321 53.050 -0.026 0.000 0.879 533 N CB 0.385 38.910 38.487 0.062 0.000 0.984 533 N HN 0.448 nan 8.380 nan 0.000 0.453 534 S N -0.244 115.422 115.700 -0.058 0.000 2.620 534 S HA 0.418 4.888 4.470 -0.000 0.000 0.244 534 S C -0.569 173.995 174.600 -0.060 0.000 1.192 534 S CA -0.842 57.323 58.200 -0.057 0.000 1.148 534 S CB 0.178 63.360 63.200 -0.030 0.000 1.106 534 S HN 0.035 nan 8.310 nan 0.000 0.474 535 I N 3.158 123.680 120.570 -0.080 0.000 2.337 535 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 535 I C 1.296 177.378 176.117 -0.059 0.000 1.046 535 I CA -0.393 60.860 61.300 -0.078 0.000 1.324 535 I CB 0.726 38.663 38.000 -0.105 0.000 1.409 535 I HN 0.842 nan 8.210 nan 0.000 0.494 536 G N 3.929 112.697 108.800 -0.053 0.000 2.554 536 G HA2 0.178 4.138 3.960 -0.000 0.000 0.238 536 G HA3 0.178 4.138 3.960 -0.000 0.000 0.238 536 G C 1.092 175.968 174.900 -0.040 0.000 1.259 536 G CA -0.001 45.074 45.100 -0.041 0.000 0.843 536 G HN 0.884 nan 8.290 nan 0.000 0.582 537 G N -0.335 108.450 108.800 -0.027 0.000 2.422 537 G HA2 0.079 4.039 3.960 -0.000 0.000 0.218 537 G HA3 0.079 4.039 3.960 -0.000 0.000 0.218 537 G C 0.800 175.686 174.900 -0.024 0.000 1.146 537 G CA 1.488 46.575 45.100 -0.022 0.000 0.769 537 G HN 1.429 nan 8.290 nan 0.000 0.547 538 V N -2.248 117.652 119.914 -0.024 0.000 2.409 538 V HA 0.662 4.782 4.120 -0.000 0.000 0.291 538 V C -1.037 175.028 176.094 -0.050 0.000 1.020 538 V CA -1.275 61.010 62.300 -0.024 0.000 0.848 538 V CB 1.770 33.588 31.823 -0.008 0.000 0.990 538 V HN 0.035 nan 8.190 nan 0.000 0.430 539 Q N 3.117 122.876 119.800 -0.068 0.000 2.257 539 Q HA 0.564 4.904 4.340 -0.000 0.000 0.262 539 Q C -0.700 175.207 176.000 -0.156 0.000 0.997 539 Q CA -0.579 55.157 55.803 -0.112 0.000 0.873 539 Q CB 2.794 31.463 28.738 -0.115 0.000 1.312 539 Q HN 0.931 nan 8.270 nan 0.000 0.450 540 R N 0.654 121.030 120.500 -0.206 0.000 2.387 540 R HA 0.547 4.887 4.340 -0.000 0.000 0.314 540 R C -1.193 174.901 176.300 -0.343 0.000 0.958 540 R CA -0.348 55.594 56.100 -0.262 0.000 0.846 540 R CB 0.952 31.113 30.300 -0.231 0.000 1.147 540 R HN 0.334 nan 8.270 nan 0.000 0.447 541 V N 3.440 123.048 119.914 -0.509 0.000 2.547 541 V HA 0.525 4.645 4.120 -0.000 0.000 0.299 541 V C -0.337 175.576 176.094 -0.302 0.000 1.040 541 V CA -0.409 61.613 62.300 -0.464 0.000 0.913 541 V CB 2.075 33.425 31.823 -0.789 0.000 0.992 541 V HN 0.857 nan 8.190 nan 0.000 0.449 542 T N 5.432 119.938 114.554 -0.079 0.000 3.293 542 T HA 0.504 4.854 4.350 -0.000 0.000 0.320 542 T C -0.726 173.968 174.700 -0.009 0.000 0.995 542 T CA -0.187 61.920 62.100 0.011 0.000 1.041 542 T CB 0.702 69.645 68.868 0.124 0.000 1.058 542 T HN 0.386 nan 8.240 nan 0.000 0.453 543 I N 3.616 124.124 120.570 -0.103 0.000 2.321 543 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 543 I C 0.514 176.563 176.117 -0.113 0.000 0.998 543 I CA -0.435 60.706 61.300 -0.265 0.000 1.227 543 I CB 1.619 39.337 38.000 -0.471 0.000 1.368 543 I HN 0.507 nan 8.210 nan 0.000 0.466 544 T N 3.683 118.191 114.554 -0.076 0.000 2.940 544 T HA 0.375 4.725 4.350 -0.000 0.000 0.288 544 T C -0.549 174.105 174.700 -0.076 0.000 1.045 544 T CA -0.746 61.323 62.100 -0.053 0.000 1.018 544 T CB 1.989 70.827 68.868 -0.050 0.000 1.151 544 T HN 0.661 nan 8.240 nan 0.000 0.529 545 D N -0.600 119.752 120.400 -0.080 0.000 2.506 545 D HA 0.501 5.141 4.640 -0.000 0.000 0.254 545 D C 1.479 177.633 176.300 -0.243 0.000 1.089 545 D CA -0.547 53.403 54.000 -0.083 0.000 1.050 545 D CB 1.121 41.950 40.800 0.048 0.000 1.221 545 D HN 0.503 nan 8.370 nan 0.000 0.589 546 A N 0.477 123.189 122.820 -0.181 0.000 1.915 546 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 546 A C 2.055 179.530 177.584 -0.183 0.000 1.198 546 A CA 1.778 53.701 52.037 -0.191 0.000 0.647 546 A CB -0.708 18.260 19.000 -0.053 0.000 0.825 546 A HN 0.643 nan 8.150 nan 0.000 0.456 547 R N -1.889 118.537 120.500 -0.123 0.000 2.310 547 R HA 0.120 4.460 4.340 -0.000 0.000 0.202 547 R C -0.416 175.841 176.300 -0.072 0.000 0.933 547 R CA -0.062 55.995 56.100 -0.072 0.000 1.054 547 R CB 0.226 30.497 30.300 -0.048 0.000 0.985 547 R HN 0.299 nan 8.270 nan 0.000 0.489 548 R N 1.167 121.594 120.500 -0.122 0.000 2.598 548 R HA -0.127 4.213 4.340 -0.000 0.000 0.323 548 R C -1.046 175.231 176.300 -0.039 0.000 0.993 548 R CA 0.697 56.738 56.100 -0.098 0.000 0.724 548 R CB -1.698 28.557 30.300 -0.074 0.000 2.060 548 R HN 0.629 nan 8.270 nan 0.000 0.470 549 R N -2.067 118.425 120.500 -0.014 0.000 2.644 549 R HA 0.291 4.631 4.340 -0.000 0.000 0.257 549 R C -0.214 176.095 176.300 0.015 0.000 1.082 549 R CA -0.517 55.592 56.100 0.015 0.000 0.927 549 R CB 0.592 30.934 30.300 0.070 0.000 1.258 549 R HN 0.253 nan 8.270 nan 0.000 0.459 550 T N -1.013 113.528 114.554 -0.023 0.000 2.854 550 T HA -0.004 4.346 4.350 -0.000 0.000 0.336 550 T C 0.298 174.923 174.700 -0.124 0.000 1.095 550 T CA -0.230 61.837 62.100 -0.054 0.000 1.118 550 T CB 0.677 69.505 68.868 -0.066 0.000 1.025 550 T HN 0.708 nan 8.240 nan 0.000 0.549 551 C N 5.677 124.897 119.300 -0.134 0.000 2.291 551 C HA 0.554 5.014 4.460 -0.000 0.000 0.322 551 C C -1.280 173.547 174.990 -0.271 0.000 1.205 551 C CA -1.852 57.036 59.018 -0.217 0.000 1.495 551 C CB 0.153 27.912 27.740 0.032 0.000 2.127 551 C HN 0.807 nan 8.230 nan 0.000 0.452 552 P HA -0.143 nan 4.420 nan 0.000 0.218 552 P C 0.201 177.194 177.300 -0.511 0.000 1.146 552 P CA 1.564 64.344 63.100 -0.534 0.000 0.820 552 P CB -0.109 31.136 31.700 -0.758 0.000 0.778 553 Y N -1.500 118.703 120.300 -0.160 0.000 2.471 553 Y HA 0.105 4.655 4.550 -0.000 0.000 0.321 553 Y C 0.676 176.561 175.900 -0.025 0.000 1.195 553 Y CA -0.374 57.688 58.100 -0.062 0.000 1.272 553 Y CB -0.599 37.858 38.460 -0.005 0.000 1.097 553 Y HN -0.256 nan 8.280 nan 0.000 0.507 554 V N 0.651 120.589 119.914 0.040 0.000 2.383 554 V HA -0.016 4.104 4.120 -0.000 0.000 0.275 554 V C 0.451 176.626 176.094 0.135 0.000 1.036 554 V CA -0.615 61.731 62.300 0.078 0.000 0.889 554 V CB 0.768 32.621 31.823 0.049 0.000 0.985 554 V HN 0.330 nan 8.190 nan 0.000 0.459 555 Y N 4.769 125.098 120.300 0.048 0.000 2.479 555 Y HA 0.428 4.978 4.550 -0.000 0.000 0.283 555 Y C 0.701 176.762 175.900 0.268 0.000 1.109 555 Y CA 0.345 58.525 58.100 0.132 0.000 1.239 555 Y CB 0.460 38.914 38.460 -0.010 0.000 1.108 555 Y HN 0.510 nan 8.280 nan 0.000 0.548 556 K N 1.269 121.541 120.400 -0.214 0.000 2.535 556 K HA 0.703 5.023 4.320 -0.000 0.000 0.251 556 K C -1.984 174.558 176.600 -0.095 0.000 0.942 556 K CA -0.339 55.716 56.287 -0.387 0.000 0.798 556 K CB 1.671 33.889 32.500 -0.470 0.000 1.267 556 K HN 0.166 nan 8.250 nan 0.000 0.434 557 A N 3.523 126.275 122.820 -0.112 0.000 2.455 557 A HA 0.847 5.167 4.320 -0.000 0.000 0.300 557 A C -1.833 175.876 177.584 0.207 0.000 1.040 557 A CA -0.611 51.523 52.037 0.161 0.000 0.697 557 A CB 0.710 19.836 19.000 0.210 0.000 1.265 557 A HN 0.960 nan 8.150 nan 0.000 0.407 558 L N -0.788 120.620 121.223 0.307 0.000 2.672 558 L HA 0.964 5.304 4.340 -0.000 0.000 0.256 558 L C -0.369 176.596 176.870 0.158 0.000 0.946 558 L CA 0.005 54.983 54.840 0.229 0.000 0.889 558 L CB 1.168 43.288 42.059 0.103 0.000 1.441 558 L HN 1.353 nan 8.230 nan 0.000 0.418 559 G N 1.163 110.019 108.800 0.094 0.000 2.672 559 G HA2 0.819 4.779 3.960 -0.000 0.000 0.292 559 G HA3 0.819 4.779 3.960 -0.000 0.000 0.292 559 G C -1.622 173.285 174.900 0.012 0.000 1.375 559 G CA -0.855 44.233 45.100 -0.020 0.000 0.890 559 G HN 0.721 nan 8.290 nan 0.000 0.476 560 I N 0.802 121.354 120.570 -0.029 0.000 2.436 560 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 560 I C -0.571 175.469 176.117 -0.128 0.000 1.010 560 I CA -0.976 60.289 61.300 -0.058 0.000 1.098 560 I CB 2.188 40.183 38.000 -0.008 0.000 1.266 560 I HN 0.064 nan 8.210 nan 0.000 0.434 561 V N 4.580 124.382 119.914 -0.185 0.000 2.555 561 V HA 0.442 4.562 4.120 -0.000 0.000 0.302 561 V C -0.189 175.800 176.094 -0.174 0.000 1.038 561 V CA -0.506 61.701 62.300 -0.156 0.000 0.887 561 V CB 1.958 33.696 31.823 -0.141 0.000 0.991 561 V HN 0.806 nan 8.190 nan 0.000 0.434 562 S N 5.795 121.429 115.700 -0.109 0.000 2.542 562 S HA 0.433 4.903 4.470 -0.000 0.000 0.245 562 S C -2.581 172.012 174.600 -0.012 0.000 1.325 562 S CA -1.218 56.934 58.200 -0.081 0.000 1.176 562 S CB 1.083 64.246 63.200 -0.062 0.000 1.045 562 S HN 0.636 nan 8.310 nan 0.000 0.481 563 P HA 0.328 nan 4.420 nan 0.000 0.272 563 P C -0.516 176.952 177.300 0.279 0.000 1.230 563 P CA -0.362 62.813 63.100 0.125 0.000 0.788 563 P CB 0.601 32.310 31.700 0.014 0.000 0.949 564 R N -0.603 120.157 120.500 0.432 0.000 2.687 564 R HA 0.422 4.762 4.340 -0.000 0.000 0.265 564 R C -1.293 175.017 176.300 0.018 0.000 1.048 564 R CA -1.003 55.271 56.100 0.290 0.000 0.884 564 R CB 0.043 30.408 30.300 0.109 0.000 1.258 564 R HN 0.089 nan 8.270 nan 0.000 0.469 565 V N 2.648 122.302 119.914 -0.433 0.000 2.999 565 V HA 0.036 4.156 4.120 -0.000 0.000 0.307 565 V C 1.064 176.975 176.094 -0.305 0.000 1.084 565 V CA 0.321 62.215 62.300 -0.676 0.000 1.155 565 V CB 0.671 32.097 31.823 -0.663 0.000 0.975 565 V HN 0.720 nan 8.190 nan 0.000 0.490 566 L N 1.783 122.845 121.223 -0.268 0.000 3.017 566 L HA 0.311 4.651 4.340 -0.000 0.000 0.265 566 L C 0.474 177.291 176.870 -0.089 0.000 1.128 566 L CA 0.629 55.398 54.840 -0.118 0.000 0.984 566 L CB 0.929 42.964 42.059 -0.040 0.000 1.464 566 L HN 0.921 nan 8.230 nan 0.000 0.556 567 S N -1.069 114.562 115.700 -0.116 0.000 2.690 567 S HA 0.375 4.845 4.470 -0.000 0.000 0.264 567 S C -0.955 173.575 174.600 -0.116 0.000 1.040 567 S CA -0.415 57.743 58.200 -0.071 0.000 0.869 567 S CB 0.969 64.181 63.200 0.020 0.000 1.132 567 S HN 0.052 nan 8.310 nan 0.000 0.474 568 S N 0.028 115.668 115.700 -0.100 0.000 2.677 568 S HA 0.846 5.316 4.470 -0.000 0.000 0.304 568 S C -0.308 174.200 174.600 -0.155 0.000 1.108 568 S CA -1.215 56.888 58.200 -0.162 0.000 0.944 568 S CB 1.355 64.476 63.200 -0.132 0.000 1.127 568 S HN 0.911 nan 8.310 nan 0.000 0.511 569 R N 0.000 120.375 120.500 -0.208 0.000 2.786 569 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 569 R CA 0.000 56.014 56.100 -0.144 0.000 0.921 569 R CB 0.000 30.187 30.300 -0.188 0.000 0.687 569 R HN 0.000 nan 8.270 nan 0.000 0.535