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 1rd6_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDA DATA SEQUENCE GTTAKILLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLPPLKE SLLEKNKPYK QNSGKVVGSY FVEAGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKISIHDPFA ALQKAQKGVT AWDDPYKGNF GQLMALKQAH PDLKILPSIG DATA SEQUENCE GWTLSDPFFF MGDKVKRDRF VGSVKEFLQT WKFFDGVDID WEFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSAET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA SQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAGVQ 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.583 177.584 -0.002 0.000 1.274 24 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 0.507 123.324 122.820 -0.004 0.000 2.448 25 A HA 0.611 4.932 4.320 0.001 0.000 0.239 25 A C -2.227 175.354 177.584 -0.004 0.000 1.080 25 A CA -0.500 51.532 52.037 -0.007 0.000 0.779 25 A CB -0.952 18.043 19.000 -0.010 0.000 1.026 25 A HN 0.536 nan 8.150 nan 0.000 0.499 26 P HA 0.276 nan 4.420 nan 0.000 0.271 26 P C 0.558 177.858 177.300 0.001 0.000 1.244 26 P CA 0.206 63.304 63.100 -0.004 0.000 0.793 26 P CB 0.367 32.060 31.700 -0.012 0.000 0.984 27 G N 0.141 108.947 108.800 0.010 0.000 2.572 27 G HA2 0.216 4.177 3.960 0.001 0.000 0.261 27 G HA3 0.216 4.177 3.960 0.001 0.000 0.261 27 G C -0.668 174.240 174.900 0.013 0.000 1.197 27 G CA -0.469 44.642 45.100 0.019 0.000 0.870 27 G HN 0.448 nan 8.290 nan 0.000 0.548 28 K N 1.942 122.357 120.400 0.025 0.000 2.310 28 K HA 0.235 4.555 4.320 0.001 0.000 0.290 28 K C -1.851 174.771 176.600 0.037 0.000 1.077 28 K CA -1.394 54.905 56.287 0.020 0.000 0.922 28 K CB 0.825 33.343 32.500 0.029 0.000 1.057 28 K HN 0.249 nan 8.250 nan 0.000 0.479 29 P HA 0.099 nan 4.420 nan 0.000 0.275 29 P C -0.801 176.552 177.300 0.089 0.000 1.266 29 P CA -0.402 62.728 63.100 0.050 0.000 0.793 29 P CB 0.959 32.643 31.700 -0.028 0.000 1.074 30 T N 0.740 115.385 114.554 0.152 0.000 2.881 30 T HA 0.438 4.789 4.350 0.001 0.000 0.290 30 T C 0.120 174.950 174.700 0.216 0.000 1.000 30 T CA -0.464 61.741 62.100 0.174 0.000 0.978 30 T CB 0.407 69.407 68.868 0.221 0.000 0.997 30 T HN 0.187 nan 8.240 nan 0.000 0.443 31 I N 3.148 123.827 120.570 0.182 0.000 2.556 31 I HA 0.391 4.561 4.170 0.001 0.000 0.284 31 I C 0.937 177.165 176.117 0.184 0.000 1.114 31 I CA -0.322 61.092 61.300 0.190 0.000 1.418 31 I CB 0.816 38.897 38.000 0.136 0.000 1.394 31 I HN 0.639 nan 8.210 nan 0.000 0.552 32 A N 6.810 129.737 122.820 0.179 0.000 2.286 32 A HA 0.206 4.527 4.320 0.001 0.000 0.286 32 A C -0.657 177.028 177.584 0.168 0.000 1.097 32 A CA -0.457 51.691 52.037 0.185 0.000 0.821 32 A CB 0.315 19.405 19.000 0.149 0.000 1.076 32 A HN 0.793 nan 8.150 nan 0.000 0.490 33 W N 1.326 122.670 121.300 0.074 0.000 2.274 33 W HA 0.402 5.062 4.660 0.001 0.000 0.345 33 W C 0.463 177.012 176.519 0.050 0.000 1.265 33 W CA 1.737 59.117 57.345 0.059 0.000 1.293 33 W CB 0.166 29.656 29.460 0.050 0.000 1.175 33 W HN 1.293 nan 8.180 nan 0.000 0.577 34 G N 3.804 111.781 108.800 -1.372 0.000 2.368 34 G HA2 0.074 4.034 3.960 0.001 0.000 0.301 34 G HA3 0.074 4.034 3.960 0.001 0.000 0.301 34 G C -1.314 173.118 174.900 -0.779 0.000 1.640 34 G CA -1.060 43.266 45.100 -1.289 0.000 0.941 34 G HN 0.867 nan 8.290 nan 0.000 0.695 35 N N -0.430 117.883 118.700 -0.644 0.000 2.294 35 N HA 0.257 4.998 4.740 0.001 0.000 0.248 35 N C 1.448 176.703 175.510 -0.425 0.000 1.242 35 N CA 1.334 54.111 53.050 -0.455 0.000 0.848 35 N CB 0.789 39.023 38.487 -0.422 0.000 1.084 35 N HN 0.832 nan 8.380 nan 0.000 0.457 36 T N -1.195 113.099 114.554 -0.433 0.000 3.091 36 T HA 0.272 4.623 4.350 0.001 0.000 0.277 36 T C -0.138 174.248 174.700 -0.522 0.000 0.996 36 T CA -0.290 61.618 62.100 -0.321 0.000 0.897 36 T CB -0.099 68.696 68.868 -0.122 0.000 1.109 36 T HN 0.399 nan 8.240 nan 0.000 0.534 37 K N 1.174 121.073 120.400 -0.835 0.000 2.274 37 K HA 0.681 5.002 4.320 0.001 0.000 0.262 37 K C -1.470 174.511 176.600 -1.032 0.000 0.961 37 K CA -0.640 55.235 56.287 -0.686 0.000 0.833 37 K CB 1.394 33.622 32.500 -0.453 0.000 1.102 37 K HN 0.109 nan 8.250 nan 0.000 0.436 38 F N 0.607 120.457 119.950 -0.167 0.000 2.664 38 F HA 0.761 5.289 4.527 0.001 0.000 0.329 38 F C -0.386 175.300 175.800 -0.190 0.000 1.090 38 F CA -1.131 56.763 58.000 -0.176 0.000 0.978 38 F CB 1.909 40.809 39.000 -0.168 0.000 1.378 38 F HN 0.461 nan 8.300 nan 0.000 0.495 39 A N 0.522 123.366 122.820 0.039 0.000 2.520 39 A HA 0.661 4.982 4.320 0.001 0.000 0.298 39 A C -0.041 177.543 177.584 0.000 0.000 1.051 39 A CA -0.557 51.452 52.037 -0.048 0.000 0.690 39 A CB 0.861 19.767 19.000 -0.156 0.000 1.281 39 A HN 0.764 nan 8.150 nan 0.000 0.402 40 I N 0.790 121.369 120.570 0.015 0.000 2.353 40 I HA -0.062 4.109 4.170 0.001 0.000 0.248 40 I C 0.131 176.249 176.117 0.002 0.000 1.119 40 I CA 1.229 62.533 61.300 0.007 0.000 1.417 40 I CB 0.110 38.120 38.000 0.016 0.000 1.078 40 I HN 0.344 nan 8.210 nan 0.000 0.421 41 V N 2.537 122.482 119.914 0.052 0.000 2.313 41 V HA 0.194 4.315 4.120 0.001 0.000 0.278 41 V C -0.206 175.959 176.094 0.118 0.000 1.017 41 V CA -0.736 61.575 62.300 0.018 0.000 0.823 41 V CB 0.965 32.730 31.823 -0.096 0.000 1.010 41 V HN 0.175 nan 8.190 nan 0.000 0.443 42 E N 3.309 123.530 120.200 0.036 0.000 2.331 42 E HA 0.525 4.876 4.350 0.001 0.000 0.272 42 E C -1.005 175.641 176.600 0.078 0.000 1.036 42 E CA -0.427 55.998 56.400 0.042 0.000 0.864 42 E CB 2.175 31.874 29.700 -0.001 0.000 1.035 42 E HN 0.410 nan 8.360 nan 0.000 0.408 43 V N 2.733 122.712 119.914 0.108 0.000 2.483 43 V HA 0.050 4.170 4.120 0.001 0.000 0.297 43 V C -0.520 175.620 176.094 0.077 0.000 1.027 43 V CA -0.895 61.489 62.300 0.141 0.000 0.855 43 V CB 1.870 33.869 31.823 0.293 0.000 0.995 43 V HN 0.641 nan 8.190 nan 0.000 0.424 44 D N 4.145 124.582 120.400 0.062 0.000 2.359 44 D HA 0.081 4.722 4.640 0.001 0.000 0.250 44 D C 1.125 177.469 176.300 0.072 0.000 1.264 44 D CA 0.002 54.033 54.000 0.052 0.000 0.911 44 D CB 1.228 42.054 40.800 0.043 0.000 1.056 44 D HN 0.434 nan 8.370 nan 0.000 0.499 45 Q N 2.526 122.368 119.800 0.070 0.000 2.576 45 Q HA -0.088 4.253 4.340 0.001 0.000 0.218 45 Q C 0.815 176.887 176.000 0.120 0.000 0.983 45 Q CA 0.608 56.465 55.803 0.089 0.000 0.920 45 Q CB 0.248 29.032 28.738 0.077 0.000 0.973 45 Q HN 0.618 nan 8.270 nan 0.000 0.528 46 A N -0.782 122.100 122.820 0.103 0.000 2.456 46 A HA 0.482 4.803 4.320 0.001 0.000 0.237 46 A C 0.885 178.525 177.584 0.094 0.000 1.217 46 A CA 0.286 52.387 52.037 0.106 0.000 0.962 46 A CB 0.345 19.396 19.000 0.085 0.000 1.079 46 A HN 0.206 nan 8.150 nan 0.000 0.536 47 A N 0.284 123.156 122.820 0.087 0.000 2.466 47 A HA 0.440 4.761 4.320 0.001 0.000 0.238 47 A C 1.320 178.962 177.584 0.097 0.000 1.074 47 A CA 0.883 52.967 52.037 0.078 0.000 0.774 47 A CB 0.059 19.097 19.000 0.062 0.000 1.015 47 A HN 0.776 nan 8.150 nan 0.000 0.498 48 T N -1.521 113.086 114.554 0.088 0.000 2.955 48 T HA 0.499 4.850 4.350 0.001 0.000 0.251 48 T C 0.613 175.380 174.700 0.111 0.000 1.002 48 T CA 0.601 62.761 62.100 0.100 0.000 0.970 48 T CB -0.083 68.830 68.868 0.075 0.000 1.091 48 T HN 1.290 nan 8.240 nan 0.000 0.495 49 A N 0.842 123.721 122.820 0.099 0.000 2.274 49 A HA 0.610 4.930 4.320 0.001 0.000 0.309 49 A C 0.622 178.295 177.584 0.149 0.000 1.226 49 A CA -0.744 51.363 52.037 0.116 0.000 0.853 49 A CB 0.256 19.305 19.000 0.082 0.000 1.146 49 A HN 0.320 nan 8.150 nan 0.000 0.518 50 Y N 3.062 123.417 120.300 0.090 0.000 2.193 50 Y HA -0.262 4.289 4.550 0.001 0.000 0.285 50 Y C 1.723 177.694 175.900 0.119 0.000 1.166 50 Y CA 2.675 60.851 58.100 0.127 0.000 1.181 50 Y CB -0.003 38.544 38.460 0.145 0.000 0.976 50 Y HN 0.756 nan 8.280 nan 0.000 0.520 51 N N 0.388 119.156 118.700 0.114 0.000 2.520 51 N HA -0.125 4.616 4.740 0.001 0.000 0.185 51 N C 0.434 175.929 175.510 -0.025 0.000 1.068 51 N CA 1.362 54.433 53.050 0.035 0.000 0.911 51 N CB -0.398 38.139 38.487 0.083 0.000 0.961 51 N HN 0.612 nan 8.380 nan 0.000 0.446 52 N N -0.989 117.698 118.700 -0.021 0.000 2.171 52 N HA 0.115 4.856 4.740 0.001 0.000 0.212 52 N C 0.975 176.469 175.510 -0.027 0.000 1.184 52 N CA -0.177 52.864 53.050 -0.014 0.000 0.888 52 N CB 0.671 39.169 38.487 0.017 0.000 1.038 52 N HN -0.025 nan 8.380 nan 0.000 0.517 53 L N 0.885 122.064 121.223 -0.074 0.000 2.162 53 L HA 0.160 4.501 4.340 0.001 0.000 0.205 53 L C 0.221 177.068 176.870 -0.037 0.000 1.086 53 L CA 0.898 55.712 54.840 -0.043 0.000 0.778 53 L CB 0.295 42.326 42.059 -0.046 0.000 0.928 53 L HN -0.060 nan 8.230 nan 0.000 0.446 54 V N -2.591 117.238 119.914 -0.141 0.000 2.925 54 V HA 0.531 4.652 4.120 0.001 0.000 0.311 54 V C -0.802 175.206 176.094 -0.144 0.000 1.104 54 V CA -0.921 61.306 62.300 -0.122 0.000 0.954 54 V CB 1.629 33.334 31.823 -0.196 0.000 1.022 54 V HN 0.154 nan 8.190 nan 0.000 0.427 55 K N 2.917 123.250 120.400 -0.113 0.000 2.578 55 K HA 0.681 5.002 4.320 0.001 0.000 0.250 55 K C -1.722 174.812 176.600 -0.109 0.000 0.955 55 K CA -0.547 55.682 56.287 -0.097 0.000 0.825 55 K CB 2.358 34.824 32.500 -0.058 0.000 1.151 55 K HN 0.731 nan 8.250 nan 0.000 0.432 56 V N 4.362 124.198 119.914 -0.129 0.000 2.498 56 V HA 0.306 4.427 4.120 0.001 0.000 0.279 56 V C -0.158 175.887 176.094 -0.082 0.000 1.048 56 V CA -0.347 61.876 62.300 -0.129 0.000 0.967 56 V CB 1.126 32.854 31.823 -0.159 0.000 0.988 56 V HN 0.737 nan 8.190 nan 0.000 0.473 57 K N 2.532 122.893 120.400 -0.066 0.000 2.340 57 K HA 0.377 4.698 4.320 0.001 0.000 0.244 57 K C 0.640 177.214 176.600 -0.043 0.000 0.973 57 K CA -0.649 55.608 56.287 -0.049 0.000 0.828 57 K CB 1.323 33.797 32.500 -0.042 0.000 1.226 57 K HN 0.703 nan 8.250 nan 0.000 0.437 58 N N 0.177 118.856 118.700 -0.034 0.000 2.457 58 N HA 0.027 4.767 4.740 0.001 0.000 0.180 58 N C -0.332 175.166 175.510 -0.020 0.000 1.050 58 N CA 0.169 53.204 53.050 -0.026 0.000 0.906 58 N CB 0.461 38.936 38.487 -0.020 0.000 0.968 58 N HN 0.432 nan 8.380 nan 0.000 0.445 59 A N -0.954 121.849 122.820 -0.029 0.000 2.608 59 A HA 0.779 5.100 4.320 0.001 0.000 0.292 59 A C -1.577 175.972 177.584 -0.058 0.000 1.066 59 A CA -0.644 51.373 52.037 -0.033 0.000 0.676 59 A CB 0.677 19.658 19.000 -0.031 0.000 1.277 59 A HN 0.319 nan 8.150 nan 0.000 0.413 60 A N 0.800 123.574 122.820 -0.077 0.000 2.309 60 A HA 0.605 4.926 4.320 0.001 0.000 0.298 60 A C -0.652 176.786 177.584 -0.243 0.000 1.165 60 A CA -0.423 51.545 52.037 -0.115 0.000 0.821 60 A CB 0.185 19.141 19.000 -0.073 0.000 1.102 60 A HN 0.637 nan 8.150 nan 0.000 0.500 61 D N 2.313 122.555 120.400 -0.264 0.000 2.365 61 D HA 0.346 4.987 4.640 0.001 0.000 0.237 61 D C -0.329 175.518 176.300 -0.754 0.000 1.190 61 D CA 0.313 54.080 54.000 -0.387 0.000 0.867 61 D CB 1.275 41.937 40.800 -0.231 0.000 1.050 61 D HN 0.165 nan 8.370 nan 0.000 0.491 62 V N 1.477 120.731 119.914 -1.102 0.000 2.713 62 V HA 0.503 4.624 4.120 0.001 0.000 0.307 62 V C 0.368 175.727 176.094 -1.225 0.000 1.052 62 V CA -0.480 60.797 62.300 -1.704 0.000 0.967 62 V CB 1.992 32.770 31.823 -1.741 0.000 1.019 62 V HN 0.449 nan 8.190 nan 0.000 0.459 63 S N 2.100 117.289 115.700 -0.853 0.000 2.548 63 S HA 0.828 5.299 4.470 0.001 0.000 0.276 63 S C -1.425 173.083 174.600 -0.153 0.000 1.129 63 S CA -0.413 57.550 58.200 -0.396 0.000 0.931 63 S CB 1.723 64.787 63.200 -0.227 0.000 1.068 63 S HN 0.507 nan 8.310 nan 0.000 0.480 64 V N 3.130 123.014 119.914 -0.050 0.000 2.808 64 V HA 0.699 4.819 4.120 0.001 0.000 0.308 64 V C -0.459 175.702 176.094 0.112 0.000 1.099 64 V CA -0.624 61.722 62.300 0.077 0.000 0.920 64 V CB 2.259 34.187 31.823 0.175 0.000 1.014 64 V HN 0.872 nan 8.190 nan 0.000 0.425 65 S N 2.637 118.398 115.700 0.101 0.000 2.568 65 S HA 0.869 5.339 4.470 0.001 0.000 0.293 65 S C -1.368 173.328 174.600 0.160 0.000 1.089 65 S CA -0.649 57.528 58.200 -0.038 0.000 0.945 65 S CB 1.947 65.065 63.200 -0.137 0.000 1.077 65 S HN 0.847 nan 8.310 nan 0.000 0.485 66 W N 0.802 122.082 121.300 -0.033 0.000 3.047 66 W HA 0.734 5.395 4.660 0.002 0.000 0.341 66 W C -1.312 175.164 176.519 -0.072 0.000 1.225 66 W CA -0.642 56.686 57.345 -0.028 0.000 1.150 66 W CB 0.658 30.099 29.460 -0.032 0.000 1.470 66 W HN 0.377 nan 8.180 nan 0.000 0.578 67 N N 0.939 119.705 118.700 0.110 0.000 2.321 67 N HA 0.668 5.409 4.740 0.001 0.000 0.290 67 N C -2.202 173.207 175.510 -0.169 0.000 1.212 67 N CA -0.747 52.184 53.050 -0.199 0.000 0.767 67 N CB 2.436 40.769 38.487 -0.257 0.000 1.494 67 N HN 0.608 nan 8.380 nan 0.000 0.479 68 L N 0.988 121.934 121.223 -0.461 0.000 2.568 68 L HA 0.414 4.755 4.340 0.001 0.000 0.262 68 L C -1.087 175.537 176.870 -0.409 0.000 0.980 68 L CA -0.343 54.342 54.840 -0.258 0.000 0.882 68 L CB 0.780 42.802 42.059 -0.062 0.000 1.198 68 L HN 0.646 nan 8.230 nan 0.000 0.425 69 W N 2.587 123.928 121.300 0.069 0.000 3.197 69 W HA 0.328 4.988 4.660 0.001 0.000 0.274 69 W C 0.253 176.797 176.519 0.042 0.000 1.297 69 W CA -0.260 57.115 57.345 0.049 0.000 1.662 69 W CB 0.345 29.830 29.460 0.042 0.000 1.106 69 W HN 0.453 nan 8.180 nan 0.000 0.663 70 N N -1.063 117.742 118.700 0.176 0.000 2.371 70 N HA 0.555 5.295 4.740 0.001 0.000 0.280 70 N C -0.267 175.287 175.510 0.073 0.000 1.084 70 N CA 0.267 53.390 53.050 0.123 0.000 0.892 70 N CB 2.050 40.612 38.487 0.126 0.000 1.653 70 N HN 0.045 nan 8.380 nan 0.000 0.480 71 G N 0.866 109.699 108.800 0.056 0.000 2.661 71 G HA2 -0.134 3.827 3.960 0.001 0.000 0.685 71 G HA3 -0.134 3.827 3.960 0.001 0.000 0.685 71 G C -1.387 173.530 174.900 0.029 0.000 1.298 71 G CA -0.869 44.254 45.100 0.038 0.000 0.855 71 G HN 0.635 nan 8.290 nan 0.000 0.560 72 D N 0.249 120.662 120.400 0.022 0.000 2.372 72 D HA 0.448 5.089 4.640 0.001 0.000 0.243 72 D C 1.462 177.773 176.300 0.019 0.000 1.121 72 D CA 0.577 54.588 54.000 0.018 0.000 0.898 72 D CB 1.358 42.166 40.800 0.013 0.000 1.202 72 D HN 0.946 nan 8.370 nan 0.000 0.428 73 A N 2.655 125.489 122.820 0.024 0.000 2.238 73 A HA 0.372 4.693 4.320 0.001 0.000 0.208 73 A C 1.185 178.789 177.584 0.034 0.000 1.177 73 A CA 1.061 53.121 52.037 0.039 0.000 0.804 73 A CB -0.575 18.458 19.000 0.055 0.000 0.823 73 A HN 0.921 nan 8.150 nan 0.000 0.482 74 G N -1.285 107.526 108.800 0.017 0.000 2.693 74 G HA2 -0.142 3.819 3.960 0.001 0.000 0.226 74 G HA3 -0.142 3.819 3.960 0.001 0.000 0.226 74 G C 0.596 175.503 174.900 0.012 0.000 1.354 74 G CA 0.635 45.739 45.100 0.006 0.000 0.873 74 G HN 1.280 nan 8.290 nan 0.000 0.562 75 T N -4.372 110.183 114.554 0.000 0.000 2.954 75 T HA 0.514 4.865 4.350 0.001 0.000 0.252 75 T C 0.769 175.466 174.700 -0.005 0.000 0.983 75 T CA 1.494 63.595 62.100 0.001 0.000 0.941 75 T CB 0.708 69.570 68.868 -0.009 0.000 1.141 75 T HN 1.150 nan 8.240 nan 0.000 0.500 76 T N 2.071 116.612 114.554 -0.020 0.000 2.861 76 T HA 0.784 5.135 4.350 0.001 0.000 0.287 76 T C -1.074 173.600 174.700 -0.043 0.000 1.003 76 T CA -0.592 61.481 62.100 -0.045 0.000 0.977 76 T CB 1.768 70.588 68.868 -0.079 0.000 0.996 76 T HN 0.486 nan 8.240 nan 0.000 0.448 77 A N 3.221 126.027 122.820 -0.024 0.000 2.331 77 A HA 0.803 5.124 4.320 0.001 0.000 0.320 77 A C -0.508 177.070 177.584 -0.009 0.000 1.138 77 A CA -0.794 51.224 52.037 -0.031 0.000 0.790 77 A CB 0.870 19.937 19.000 0.112 0.000 1.206 77 A HN 0.746 nan 8.150 nan 0.000 0.470 78 K N 1.935 122.285 120.400 -0.083 0.000 2.375 78 K HA 0.592 4.913 4.320 0.001 0.000 0.249 78 K C -1.267 175.295 176.600 -0.063 0.000 0.942 78 K CA -0.751 55.519 56.287 -0.028 0.000 0.806 78 K CB 2.166 34.603 32.500 -0.105 0.000 1.227 78 K HN 0.497 nan 8.250 nan 0.000 0.430 79 I N 3.981 124.547 120.570 -0.005 0.000 2.339 79 I HA 0.305 4.476 4.170 0.001 0.000 0.290 79 I C -0.424 175.566 176.117 -0.211 0.000 0.994 79 I CA -0.535 60.652 61.300 -0.189 0.000 1.191 79 I CB 0.868 38.617 38.000 -0.418 0.000 1.343 79 I HN 0.443 nan 8.210 nan 0.000 0.458 80 L N 6.974 128.103 121.223 -0.155 0.000 2.307 80 L HA 0.535 4.876 4.340 0.001 0.000 0.284 80 L C -0.442 176.382 176.870 -0.077 0.000 1.023 80 L CA -0.577 54.195 54.840 -0.112 0.000 0.810 80 L CB 1.722 43.735 42.059 -0.076 0.000 1.231 80 L HN 0.323 nan 8.230 nan 0.000 0.423 81 L N 4.555 125.739 121.223 -0.066 0.000 2.294 81 L HA 0.397 4.737 4.340 0.001 0.000 0.283 81 L C -0.134 176.789 176.870 0.089 0.000 1.015 81 L CA -0.592 54.251 54.840 0.005 0.000 0.831 81 L CB 1.019 43.003 42.059 -0.124 0.000 1.217 81 L HN 0.675 nan 8.230 nan 0.000 0.420 82 N N 3.119 121.890 118.700 0.118 0.000 2.735 82 N HA -0.211 4.529 4.740 0.001 0.000 0.248 82 N C 1.023 176.561 175.510 0.047 0.000 1.083 82 N CA 1.259 54.367 53.050 0.096 0.000 0.703 82 N CB -0.909 37.661 38.487 0.139 0.000 1.005 82 N HN 1.101 nan 8.380 nan 0.000 0.550 83 G N -1.280 107.532 108.800 0.020 0.000 2.234 83 G HA2 -0.381 3.580 3.960 0.001 0.000 0.260 83 G HA3 -0.381 3.580 3.960 0.001 0.000 0.260 83 G C -0.008 174.883 174.900 -0.015 0.000 0.987 83 G CA 0.808 45.907 45.100 -0.003 0.000 0.625 83 G HN 0.644 nan 8.290 nan 0.000 0.532 84 K N 1.731 122.127 120.400 -0.008 0.000 2.227 84 K HA 0.407 4.728 4.320 0.001 0.000 0.280 84 K C 0.067 176.630 176.600 -0.061 0.000 1.041 84 K CA -0.407 55.865 56.287 -0.024 0.000 0.905 84 K CB 0.989 33.489 32.500 -0.001 0.000 1.068 84 K HN 0.398 nan 8.250 nan 0.000 0.470 85 E N 2.800 122.956 120.200 -0.073 0.000 2.417 85 E HA 0.067 4.418 4.350 0.001 0.000 0.261 85 E C -0.275 176.249 176.600 -0.126 0.000 1.000 85 E CA 0.106 56.444 56.400 -0.104 0.000 0.919 85 E CB 0.637 30.278 29.700 -0.099 0.000 0.955 85 E HN 0.668 nan 8.360 nan 0.000 0.455 86 A N 4.928 127.632 122.820 -0.193 0.000 2.508 86 A HA 0.194 4.514 4.320 0.001 0.000 0.250 86 A C -0.709 176.744 177.584 -0.218 0.000 1.208 86 A CA -0.330 51.563 52.037 -0.240 0.000 0.960 86 A CB 0.200 18.970 19.000 -0.383 0.000 1.099 86 A HN 0.734 nan 8.150 nan 0.000 0.542 87 W N -0.444 120.605 121.300 -0.418 0.000 3.700 87 W HA 0.453 5.113 4.660 0.001 0.000 0.279 87 W C -1.115 175.266 176.519 -0.229 0.000 1.270 87 W CA 0.303 57.454 57.345 -0.323 0.000 1.216 87 W CB 0.659 29.837 29.460 -0.469 0.000 1.292 87 W HN 0.388 nan 8.180 nan 0.000 0.557 88 S N 3.642 118.726 115.700 -1.027 0.000 2.607 88 S HA 0.999 5.470 4.470 0.001 0.000 0.273 88 S C -0.692 172.964 174.600 -1.573 0.000 1.148 88 S CA -0.256 57.365 58.200 -0.965 0.000 0.833 88 S CB 1.966 64.877 63.200 -0.481 0.000 1.130 88 S HN 1.605 nan 8.310 nan 0.000 0.470 89 G N 0.253 108.479 108.800 -0.955 0.000 2.368 89 G HA2 0.587 4.548 3.960 0.001 0.000 0.293 89 G HA3 0.587 4.548 3.960 0.001 0.000 0.293 89 G C -3.710 171.092 174.900 -0.163 0.000 1.467 89 G CA -0.876 43.873 45.100 -0.585 0.000 0.804 89 G HN 0.627 nan 8.290 nan 0.000 0.535 90 P HA 0.286 nan 4.420 nan 0.000 0.265 90 P C -0.129 177.240 177.300 0.116 0.000 1.193 90 P CA 0.084 63.196 63.100 0.020 0.000 0.765 90 P CB 1.238 32.950 31.700 0.020 0.000 0.823 91 S N 1.526 117.289 115.700 0.104 0.000 2.464 91 S HA 0.207 4.678 4.470 0.001 0.000 0.313 91 S C 1.030 175.700 174.600 0.115 0.000 1.078 91 S CA -0.300 58.000 58.200 0.166 0.000 1.096 91 S CB -0.790 62.487 63.200 0.128 0.000 1.032 91 S HN 0.516 nan 8.310 nan 0.000 0.498 92 T N 1.114 115.738 114.554 0.115 0.000 3.107 92 T HA 0.498 4.848 4.350 0.001 0.000 0.249 92 T C 0.805 175.530 174.700 0.042 0.000 1.096 92 T CA 0.178 62.316 62.100 0.064 0.000 1.012 92 T CB 0.185 69.084 68.868 0.050 0.000 0.977 92 T HN 0.676 nan 8.240 nan 0.000 0.527 93 G N 0.518 109.349 108.800 0.052 0.000 2.550 93 G HA2 0.409 4.370 3.960 0.001 0.000 0.293 93 G HA3 0.409 4.370 3.960 0.001 0.000 0.293 93 G C 0.331 175.232 174.900 0.002 0.000 1.402 93 G CA -0.080 45.024 45.100 0.007 0.000 0.784 93 G HN 0.205 nan 8.290 nan 0.000 0.482 94 S N -1.177 114.484 115.700 -0.065 0.000 2.603 94 S HA 0.312 4.782 4.470 0.001 0.000 0.229 94 S C 0.842 175.319 174.600 -0.206 0.000 0.972 94 S CA 1.085 59.211 58.200 -0.124 0.000 0.935 94 S CB -0.119 62.959 63.200 -0.204 0.000 0.769 94 S HN 0.719 nan 8.310 nan 0.000 0.536 95 S N -0.838 114.727 115.700 -0.226 0.000 2.595 95 S HA 0.846 5.316 4.470 0.001 0.000 0.281 95 S C -0.212 174.037 174.600 -0.586 0.000 1.117 95 S CA -0.424 57.524 58.200 -0.421 0.000 0.873 95 S CB 1.990 64.973 63.200 -0.361 0.000 1.108 95 S HN 0.721 nan 8.310 nan 0.000 0.477 96 G N 0.258 108.310 108.800 -1.247 0.000 2.576 96 G HA2 0.631 4.592 3.960 0.001 0.000 0.290 96 G HA3 0.631 4.592 3.960 0.001 0.000 0.290 96 G C -1.745 172.141 174.900 -1.689 0.000 1.442 96 G CA -0.469 43.788 45.100 -1.405 0.000 0.792 96 G HN 0.632 nan 8.290 nan 0.000 0.491 97 T N -0.246 113.734 114.554 -0.957 0.000 2.912 97 T HA 0.753 5.103 4.350 0.001 0.000 0.299 97 T C -0.513 174.027 174.700 -0.267 0.000 1.052 97 T CA 0.051 61.838 62.100 -0.522 0.000 0.996 97 T CB 1.742 70.435 68.868 -0.291 0.000 1.070 97 T HN 1.446 nan 8.240 nan 0.000 0.465 98 A N 3.295 125.967 122.820 -0.246 0.000 2.356 98 A HA 0.796 5.117 4.320 0.001 0.000 0.310 98 A C -0.791 176.543 177.584 -0.416 0.000 1.075 98 A CA -0.874 50.733 52.037 -0.717 0.000 0.746 98 A CB 0.855 18.986 19.000 -1.448 0.000 1.221 98 A HN 0.696 nan 8.150 nan 0.000 0.443 99 N N 1.849 120.352 118.700 -0.329 0.000 2.407 99 N HA 0.750 5.490 4.740 0.001 0.000 0.277 99 N C -1.149 174.349 175.510 -0.021 0.000 0.995 99 N CA 0.056 52.984 53.050 -0.204 0.000 0.903 99 N CB 1.747 40.163 38.487 -0.118 0.000 1.218 99 N HN 0.656 nan 8.380 nan 0.000 0.487 100 F N -1.146 118.674 119.950 -0.215 0.000 2.745 100 F HA 0.609 5.136 4.527 0.001 0.000 0.316 100 F C -0.810 174.908 175.800 -0.136 0.000 1.155 100 F CA -1.196 56.758 58.000 -0.076 0.000 0.937 100 F CB 1.416 40.418 39.000 0.003 0.000 1.361 100 F HN -0.076 nan 8.300 nan 0.000 0.472 101 K N 1.110 121.567 120.400 0.095 0.000 2.156 101 K HA 0.774 5.094 4.320 0.001 0.000 0.254 101 K C -1.615 175.009 176.600 0.040 0.000 0.950 101 K CA -1.155 55.105 56.287 -0.045 0.000 0.849 101 K CB 2.503 34.997 32.500 -0.010 0.000 1.100 101 K HN 0.525 nan 8.250 nan 0.000 0.434 102 V N 3.473 123.345 119.914 -0.071 0.000 2.447 102 V HA 0.094 4.214 4.120 0.001 0.000 0.292 102 V C 0.097 176.177 176.094 -0.023 0.000 1.021 102 V CA -0.934 61.338 62.300 -0.046 0.000 0.850 102 V CB 1.234 32.981 31.823 -0.127 0.000 1.005 102 V HN 0.865 nan 8.190 nan 0.000 0.426 103 N N 3.134 121.839 118.700 0.008 0.000 2.314 103 N HA 0.089 4.830 4.740 0.001 0.000 0.200 103 N C -0.050 175.491 175.510 0.052 0.000 1.135 103 N CA -0.206 52.857 53.050 0.021 0.000 0.835 103 N CB 0.700 39.197 38.487 0.018 0.000 0.989 103 N HN 0.685 nan 8.380 nan 0.000 0.478 104 K N -0.120 120.336 120.400 0.094 0.000 2.513 104 K HA 0.502 4.822 4.320 0.001 0.000 0.251 104 K C -0.330 176.412 176.600 0.237 0.000 0.939 104 K CA -0.727 55.648 56.287 0.146 0.000 0.793 104 K CB 1.958 34.556 32.500 0.163 0.000 1.241 104 K HN 0.057 nan 8.250 nan 0.000 0.431 105 G N 1.135 110.041 108.800 0.176 0.000 2.569 105 G HA2 0.551 4.511 3.960 0.001 0.000 0.249 105 G HA3 0.551 4.511 3.960 0.001 0.000 0.249 105 G C -0.115 174.868 174.900 0.139 0.000 1.216 105 G CA 0.275 45.488 45.100 0.189 0.000 0.845 105 G HN 0.859 nan 8.290 nan 0.000 0.568 106 G N -0.194 108.664 108.800 0.096 0.000 2.352 106 G HA2 0.376 4.337 3.960 0.001 0.000 0.302 106 G HA3 0.376 4.337 3.960 0.001 0.000 0.302 106 G C -1.162 173.602 174.900 -0.226 0.000 1.370 106 G CA -1.156 43.818 45.100 -0.210 0.000 0.918 106 G HN 0.704 nan 8.290 nan 0.000 0.610 107 R N 0.166 120.481 120.500 -0.309 0.000 2.215 107 R HA 0.572 4.913 4.340 0.001 0.000 0.336 107 R C -1.148 175.008 176.300 -0.240 0.000 0.996 107 R CA -0.411 55.608 56.100 -0.135 0.000 0.847 107 R CB 0.944 31.194 30.300 -0.085 0.000 1.127 107 R HN 0.477 nan 8.270 nan 0.000 0.465 108 Y N 0.604 120.934 120.300 0.049 0.000 2.487 108 Y HA 0.247 4.798 4.550 0.001 0.000 0.337 108 Y C 0.401 176.325 175.900 0.040 0.000 1.076 108 Y CA -1.053 57.075 58.100 0.046 0.000 1.115 108 Y CB 1.440 39.939 38.460 0.064 0.000 1.235 108 Y HN 0.201 nan 8.280 nan 0.000 0.468 109 Q N 3.329 123.242 119.800 0.187 0.000 2.406 109 Q HA 0.207 4.547 4.340 0.001 0.000 0.242 109 Q C -0.549 175.519 176.000 0.113 0.000 1.036 109 Q CA -0.184 55.686 55.803 0.112 0.000 0.904 109 Q CB 1.285 30.063 28.738 0.067 0.000 1.244 109 Q HN 0.588 nan 8.270 nan 0.000 0.478 110 M N 2.928 122.592 119.600 0.106 0.000 2.264 110 M HA 0.290 4.771 4.480 0.001 0.000 0.352 110 M C -1.013 175.310 176.300 0.037 0.000 1.173 110 M CA 0.076 55.421 55.300 0.076 0.000 1.075 110 M CB 0.892 33.558 32.600 0.109 0.000 1.621 110 M HN 0.559 nan 8.290 nan 0.000 0.457 111 Q N 2.710 122.507 119.800 -0.004 0.000 2.389 111 Q HA 0.623 4.964 4.340 0.001 0.000 0.277 111 Q C -1.512 174.432 176.000 -0.094 0.000 1.082 111 Q CA -0.947 54.836 55.803 -0.033 0.000 0.810 111 Q CB 3.117 31.834 28.738 -0.035 0.000 1.374 111 Q HN 0.563 nan 8.270 nan 0.000 0.422 112 V N 1.239 121.072 119.914 -0.135 0.000 2.398 112 V HA 0.733 4.854 4.120 0.001 0.000 0.286 112 V C -0.638 175.291 176.094 -0.275 0.000 1.026 112 V CA -0.506 61.618 62.300 -0.293 0.000 0.868 112 V CB 1.293 32.849 31.823 -0.445 0.000 0.982 112 V HN 0.816 nan 8.190 nan 0.000 0.443 113 A N 6.198 128.855 122.820 -0.271 0.000 2.331 113 A HA 0.879 5.200 4.320 0.001 0.000 0.320 113 A C -0.883 176.571 177.584 -0.216 0.000 1.138 113 A CA -0.563 51.356 52.037 -0.196 0.000 0.790 113 A CB 0.914 19.835 19.000 -0.132 0.000 1.206 113 A HN 0.790 nan 8.150 nan 0.000 0.470 114 L N 1.579 122.704 121.223 -0.164 0.000 2.317 114 L HA 0.566 4.907 4.340 0.001 0.000 0.281 114 L C -0.731 176.093 176.870 -0.077 0.000 1.024 114 L CA -0.509 54.258 54.840 -0.121 0.000 0.810 114 L CB 1.557 43.564 42.059 -0.087 0.000 1.240 114 L HN 0.751 nan 8.230 nan 0.000 0.427 115 c N 1.942 120.505 118.600 -0.062 0.000 2.898 115 c HA 0.715 5.285 4.570 0.001 0.000 0.304 115 c C -0.310 173.759 174.090 -0.036 0.000 1.237 115 c CA -0.860 55.439 56.329 -0.050 0.000 1.529 115 c CB 1.668 44.142 42.510 -0.060 0.000 2.021 115 c HN 0.956 nan 8.230 nan 0.000 0.474 116 N N 0.064 118.746 118.700 -0.030 0.000 3.204 116 N HA 0.579 5.320 4.740 0.001 0.000 0.285 116 N C 0.469 175.965 175.510 -0.024 0.000 1.536 116 N CA -0.149 52.887 53.050 -0.023 0.000 0.832 116 N CB 0.273 38.751 38.487 -0.014 0.000 1.645 116 N HN 0.608 nan 8.380 nan 0.000 0.586 117 A N -0.534 122.274 122.820 -0.020 0.000 1.940 117 A HA -0.208 4.113 4.320 0.001 0.000 0.221 117 A C 0.184 177.757 177.584 -0.018 0.000 1.190 117 A CA 2.522 54.548 52.037 -0.019 0.000 0.647 117 A CB -1.313 17.678 19.000 -0.015 0.000 0.821 117 A HN 0.859 nan 8.150 nan 0.000 0.457 118 D N -2.708 117.682 120.400 -0.016 0.000 2.634 118 D HA 0.481 5.121 4.640 0.001 0.000 0.318 118 D C 0.132 176.422 176.300 -0.016 0.000 1.226 118 D CA 0.192 54.183 54.000 -0.015 0.000 0.899 118 D CB -0.273 40.520 40.800 -0.011 0.000 1.025 118 D HN 1.052 nan 8.370 nan 0.000 0.501 119 G N -0.620 108.168 108.800 -0.021 0.000 2.525 119 G HA2 0.128 4.089 3.960 0.001 0.000 0.685 119 G HA3 0.128 4.089 3.960 0.001 0.000 0.685 119 G C -0.809 174.074 174.900 -0.028 0.000 1.285 119 G CA -0.856 44.230 45.100 -0.023 0.000 0.849 119 G HN 0.519 nan 8.290 nan 0.000 0.653 120 c N 0.349 118.929 118.600 -0.032 0.000 2.529 120 c HA 0.938 5.508 4.570 0.001 0.000 0.329 120 c C 0.465 174.532 174.090 -0.038 0.000 1.194 120 c CA -0.338 55.966 56.329 -0.042 0.000 1.779 120 c CB 1.720 44.200 42.510 -0.050 0.000 2.322 120 c HN 0.956 nan 8.230 nan 0.000 0.500 121 T N 2.271 116.797 114.554 -0.046 0.000 2.906 121 T HA 0.608 4.958 4.350 0.001 0.000 0.302 121 T C -0.235 174.432 174.700 -0.056 0.000 1.002 121 T CA -0.063 62.014 62.100 -0.039 0.000 0.988 121 T CB 1.199 70.051 68.868 -0.027 0.000 0.972 121 T HN 0.900 nan 8.240 nan 0.000 0.447 122 A N 2.973 125.764 122.820 -0.048 0.000 2.304 122 A HA 0.797 5.118 4.320 0.001 0.000 0.301 122 A C 0.796 178.357 177.584 -0.038 0.000 1.132 122 A CA -0.681 51.322 52.037 -0.057 0.000 0.819 122 A CB 0.455 19.427 19.000 -0.048 0.000 1.094 122 A HN 0.856 nan 8.150 nan 0.000 0.492 123 S N 1.461 117.135 115.700 -0.044 0.000 2.661 123 S HA 0.344 4.814 4.470 0.001 0.000 0.265 123 S C -0.212 174.391 174.600 0.004 0.000 1.225 123 S CA -0.660 57.534 58.200 -0.010 0.000 0.986 123 S CB 0.292 63.488 63.200 -0.006 0.000 1.008 123 S HN 0.644 nan 8.310 nan 0.000 0.565 124 D N 0.886 121.301 120.400 0.024 0.000 2.357 124 D HA 0.466 5.106 4.640 0.001 0.000 0.242 124 D C 0.200 176.518 176.300 0.029 0.000 1.153 124 D CA 0.164 54.180 54.000 0.027 0.000 0.918 124 D CB 1.007 41.829 40.800 0.038 0.000 1.181 124 D HN 0.808 nan 8.370 nan 0.000 0.435 125 A N 1.304 124.140 122.820 0.028 0.000 2.401 125 A HA 0.422 4.743 4.320 0.001 0.000 0.259 125 A C 0.161 177.771 177.584 0.044 0.000 1.103 125 A CA 0.025 52.082 52.037 0.034 0.000 0.789 125 A CB 0.379 19.398 19.000 0.031 0.000 1.035 125 A HN 0.400 nan 8.150 nan 0.000 0.491 126 T N 1.960 116.546 114.554 0.053 0.000 2.824 126 T HA 0.342 4.693 4.350 0.001 0.000 0.282 126 T C -0.360 174.381 174.700 0.068 0.000 0.993 126 T CA -0.403 61.732 62.100 0.058 0.000 0.967 126 T CB 1.209 70.115 68.868 0.063 0.000 0.960 126 T HN 0.759 nan 8.240 nan 0.000 0.441 127 E N 3.355 123.591 120.200 0.059 0.000 2.289 127 E HA 0.440 4.791 4.350 0.001 0.000 0.278 127 E C -0.550 176.100 176.600 0.084 0.000 1.032 127 E CA -0.532 55.911 56.400 0.071 0.000 0.854 127 E CB 0.455 30.181 29.700 0.042 0.000 1.046 127 E HN 0.612 nan 8.360 nan 0.000 0.409 128 I N 1.008 121.664 120.570 0.144 0.000 2.569 128 I HA 0.519 4.689 4.170 0.001 0.000 0.296 128 I C -1.104 175.136 176.117 0.205 0.000 1.028 128 I CA -1.125 60.278 61.300 0.172 0.000 1.082 128 I CB 1.990 40.143 38.000 0.255 0.000 1.264 128 I HN 0.106 nan 8.210 nan 0.000 0.429 129 V N 5.787 125.787 119.914 0.143 0.000 2.417 129 V HA 0.433 4.554 4.120 0.001 0.000 0.291 129 V C -0.090 176.110 176.094 0.177 0.000 1.024 129 V CA -0.647 61.736 62.300 0.138 0.000 0.861 129 V CB 1.622 33.469 31.823 0.040 0.000 0.985 129 V HN 0.597 nan 8.190 nan 0.000 0.436 130 V N 4.551 124.602 119.914 0.229 0.000 2.284 130 V HA 0.610 4.731 4.120 0.001 0.000 0.274 130 V C 0.598 176.729 176.094 0.062 0.000 1.023 130 V CA -0.566 61.847 62.300 0.188 0.000 0.808 130 V CB 1.192 33.190 31.823 0.293 0.000 1.035 130 V HN 0.979 nan 8.190 nan 0.000 0.445 131 A N 3.476 126.196 122.820 -0.168 0.000 2.371 131 A HA 0.660 4.981 4.320 0.001 0.000 0.257 131 A C -0.274 177.232 177.584 -0.131 0.000 1.089 131 A CA 0.105 51.803 52.037 -0.565 0.000 0.794 131 A CB 0.662 19.053 19.000 -1.014 0.000 1.029 131 A HN 0.787 nan 8.150 nan 0.000 0.488 132 D N -1.102 119.330 120.400 0.053 0.000 2.736 132 D HA 0.336 4.977 4.640 0.001 0.000 0.223 132 D C 0.972 177.410 176.300 0.230 0.000 1.231 132 D CA 0.411 54.521 54.000 0.184 0.000 0.818 132 D CB 1.374 42.243 40.800 0.115 0.000 1.587 132 D HN 0.490 nan 8.370 nan 0.000 0.463 133 T N -0.987 113.558 114.554 -0.014 0.000 3.139 133 T HA -0.133 4.217 4.350 0.001 0.000 0.267 133 T C 0.896 175.669 174.700 0.122 0.000 1.164 133 T CA 1.189 63.236 62.100 -0.088 0.000 1.075 133 T CB -0.187 68.606 68.868 -0.126 0.000 0.904 133 T HN 0.455 nan 8.240 nan 0.000 0.540 134 D N 0.522 120.996 120.400 0.122 0.000 2.339 134 D HA 0.173 4.814 4.640 0.001 0.000 0.217 134 D C 1.672 178.031 176.300 0.099 0.000 1.050 134 D CA 0.509 54.580 54.000 0.118 0.000 0.856 134 D CB -0.769 40.079 40.800 0.080 0.000 0.922 134 D HN 0.555 nan 8.370 nan 0.000 0.518 135 G N 0.870 109.766 108.800 0.160 0.000 2.162 135 G HA2 -0.389 3.572 3.960 0.001 0.000 0.260 135 G HA3 -0.389 3.572 3.960 0.001 0.000 0.260 135 G C 1.150 176.074 174.900 0.040 0.000 0.976 135 G CA 0.949 46.101 45.100 0.087 0.000 0.655 135 G HN 0.635 nan 8.290 nan 0.000 0.533 136 S N 0.534 116.306 115.700 0.121 0.000 2.493 136 S HA -0.149 4.322 4.470 0.001 0.000 0.243 136 S C 1.810 176.441 174.600 0.053 0.000 0.991 136 S CA 1.670 59.904 58.200 0.057 0.000 0.957 136 S CB -0.574 62.666 63.200 0.067 0.000 0.756 136 S HN 1.132 nan 8.310 nan 0.000 0.521 137 H N 0.114 119.179 119.070 -0.008 0.000 2.551 137 H HA 0.457 5.014 4.556 0.001 0.000 0.271 137 H C 0.303 175.603 175.328 -0.048 0.000 0.984 137 H CA -0.524 55.507 56.048 -0.028 0.000 1.164 137 H CB -0.339 29.425 29.762 0.004 0.000 1.437 137 H HN 0.362 nan 8.280 nan 0.000 0.550 138 L N 3.292 124.165 121.223 -0.583 0.000 2.334 138 L HA 0.399 4.740 4.340 0.001 0.000 0.275 138 L C -2.156 174.562 176.870 -0.254 0.000 1.036 138 L CA -2.224 52.326 54.840 -0.483 0.000 0.807 138 L CB 1.876 43.629 42.059 -0.510 0.000 1.231 138 L HN 0.020 nan 8.230 nan 0.000 0.438 139 P HA 0.243 nan 4.420 nan 0.000 0.279 139 P C -2.620 174.590 177.300 -0.150 0.000 1.239 139 P CA -1.645 61.367 63.100 -0.148 0.000 0.789 139 P CB 0.156 31.784 31.700 -0.121 0.000 0.933 140 P HA -0.062 nan 4.420 nan 0.000 0.263 140 P C -0.187 177.028 177.300 -0.140 0.000 1.168 140 P CA 0.279 63.289 63.100 -0.150 0.000 0.759 140 P CB 0.119 31.729 31.700 -0.149 0.000 0.782 141 L N 4.329 125.465 121.223 -0.145 0.000 2.449 141 L HA 0.256 4.597 4.340 0.001 0.000 0.255 141 L C 0.155 176.967 176.870 -0.097 0.000 1.167 141 L CA 0.091 54.860 54.840 -0.118 0.000 1.090 141 L CB -0.636 41.350 42.059 -0.122 0.000 1.385 141 L HN 0.121 nan 8.230 nan 0.000 0.411 142 K N 3.011 123.355 120.400 -0.094 0.000 2.296 142 K HA 0.280 4.601 4.320 0.001 0.000 0.257 142 K C -0.456 176.127 176.600 -0.029 0.000 1.088 142 K CA -0.396 55.852 56.287 -0.064 0.000 0.980 142 K CB 0.395 32.840 32.500 -0.093 0.000 1.430 142 K HN 0.426 nan 8.250 nan 0.000 0.441 143 E N 0.846 121.042 120.200 -0.007 0.000 2.283 143 E HA 0.184 4.535 4.350 0.001 0.000 0.267 143 E C -0.373 176.229 176.600 0.004 0.000 1.045 143 E CA -0.364 56.027 56.400 -0.015 0.000 0.884 143 E CB 1.706 31.386 29.700 -0.034 0.000 1.106 143 E HN 0.360 nan 8.360 nan 0.000 0.408 144 S N 0.962 116.660 115.700 -0.005 0.000 2.580 144 S HA 0.226 4.696 4.470 0.001 0.000 0.274 144 S C 0.507 175.113 174.600 0.011 0.000 1.329 144 S CA -0.561 57.642 58.200 0.004 0.000 1.036 144 S CB 0.303 63.502 63.200 -0.002 0.000 0.919 144 S HN 0.231 nan 8.310 nan 0.000 0.515 145 L N 3.149 124.385 121.223 0.023 0.000 2.485 145 L HA 0.222 4.562 4.340 0.001 0.000 0.275 145 L C -0.073 176.817 176.870 0.032 0.000 1.207 145 L CA 0.003 54.864 54.840 0.035 0.000 0.855 145 L CB -0.142 41.944 42.059 0.044 0.000 1.114 145 L HN 0.439 nan 8.230 nan 0.000 0.485 146 L N 2.049 123.299 121.223 0.045 0.000 2.304 146 L HA 0.475 4.815 4.340 0.001 0.000 0.268 146 L C 0.608 177.518 176.870 0.067 0.000 1.010 146 L CA -0.672 54.196 54.840 0.045 0.000 0.813 146 L CB 1.274 43.356 42.059 0.038 0.000 1.315 146 L HN 0.747 nan 8.230 nan 0.000 0.445 147 E N -0.063 120.174 120.200 0.061 0.000 3.304 147 E HA -0.341 4.009 4.350 0.001 0.000 0.365 147 E C 0.471 177.110 176.600 0.064 0.000 1.512 147 E CA 1.726 58.166 56.400 0.067 0.000 1.642 147 E CB -0.559 29.197 29.700 0.094 0.000 1.738 147 E HN 0.590 nan 8.360 nan 0.000 0.483 148 K N 1.306 121.753 120.400 0.079 0.000 2.404 148 K HA 0.151 4.472 4.320 0.001 0.000 0.194 148 K C 0.028 176.682 176.600 0.089 0.000 1.023 148 K CA -0.147 56.187 56.287 0.078 0.000 1.094 148 K CB -0.081 32.473 32.500 0.089 0.000 0.841 148 K HN 0.210 nan 8.250 nan 0.000 0.523 149 N N 2.731 121.488 118.700 0.095 0.000 2.412 149 N HA -0.010 4.731 4.740 0.001 0.000 0.258 149 N C -0.345 175.223 175.510 0.097 0.000 1.236 149 N CA 0.839 53.955 53.050 0.109 0.000 0.882 149 N CB 0.630 39.180 38.487 0.106 0.000 1.066 149 N HN -0.060 nan 8.380 nan 0.000 0.465 150 K N 2.630 123.110 120.400 0.134 0.000 2.318 150 K HA 0.467 4.788 4.320 0.001 0.000 0.249 150 K C -2.355 174.261 176.600 0.026 0.000 0.942 150 K CA -1.805 54.513 56.287 0.052 0.000 0.808 150 K CB 2.075 34.587 32.500 0.020 0.000 1.189 150 K HN 0.328 nan 8.250 nan 0.000 0.428 151 P HA 0.086 nan 4.420 nan 0.000 0.268 151 P C -1.129 175.977 177.300 -0.323 0.000 1.205 151 P CA 0.241 63.283 63.100 -0.097 0.000 0.771 151 P CB 0.362 32.009 31.700 -0.088 0.000 0.858 152 Y N 0.261 120.570 120.300 0.015 0.000 2.544 152 Y HA 0.349 4.899 4.550 0.001 0.000 0.342 152 Y C 0.510 176.420 175.900 0.016 0.000 1.062 152 Y CA -0.778 57.332 58.100 0.016 0.000 1.023 152 Y CB 2.427 40.897 38.460 0.017 0.000 1.308 152 Y HN 0.171 nan 8.280 nan 0.000 0.457 153 K N 2.041 122.549 120.400 0.181 0.000 2.159 153 K HA 0.322 4.642 4.320 0.001 0.000 0.266 153 K C -0.737 175.936 176.600 0.122 0.000 0.975 153 K CA -1.063 55.293 56.287 0.114 0.000 0.865 153 K CB 1.091 33.637 32.500 0.077 0.000 1.087 153 K HN 0.443 nan 8.250 nan 0.000 0.446 154 Q N 3.068 122.922 119.800 0.089 0.000 3.027 154 Q HA 0.017 4.358 4.340 0.001 0.000 0.260 154 Q C 0.057 176.098 176.000 0.068 0.000 1.379 154 Q CA 0.047 55.896 55.803 0.076 0.000 1.038 154 Q CB -0.287 28.489 28.738 0.063 0.000 1.578 154 Q HN 0.561 nan 8.270 nan 0.000 0.571 155 N N -1.540 117.202 118.700 0.070 0.000 2.204 155 N HA -0.058 4.682 4.740 0.001 0.000 0.219 155 N C 0.798 176.340 175.510 0.053 0.000 1.151 155 N CA 0.132 53.217 53.050 0.058 0.000 0.867 155 N CB 0.279 38.799 38.487 0.055 0.000 1.043 155 N HN 0.105 nan 8.380 nan 0.000 0.516 156 S N -1.037 114.696 115.700 0.055 0.000 2.478 156 S HA 0.264 4.735 4.470 0.001 0.000 0.222 156 S C 1.613 176.240 174.600 0.045 0.000 1.008 156 S CA 0.640 58.867 58.200 0.046 0.000 0.928 156 S CB -0.521 62.704 63.200 0.041 0.000 0.781 156 S HN 0.500 nan 8.310 nan 0.000 0.518 157 G N 1.005 109.837 108.800 0.053 0.000 2.179 157 G HA2 -0.212 3.748 3.960 0.001 0.000 0.260 157 G HA3 -0.212 3.748 3.960 0.001 0.000 0.260 157 G C 0.031 174.970 174.900 0.065 0.000 0.977 157 G CA 0.356 45.491 45.100 0.059 0.000 0.641 157 G HN 0.502 nan 8.290 nan 0.000 0.533 158 K N 0.330 120.764 120.400 0.057 0.000 2.095 158 K HA 0.646 4.966 4.320 0.001 0.000 0.252 158 K C 0.638 177.273 176.600 0.057 0.000 0.977 158 K CA -0.723 55.594 56.287 0.051 0.000 0.900 158 K CB 1.888 34.410 32.500 0.036 0.000 1.060 158 K HN 0.096 nan 8.250 nan 0.000 0.449 159 V N 1.685 121.614 119.914 0.025 0.000 2.686 159 V HA 0.146 4.267 4.120 0.001 0.000 0.295 159 V C 0.052 176.183 176.094 0.062 0.000 1.055 159 V CA -0.433 61.860 62.300 -0.011 0.000 1.050 159 V CB 1.239 32.913 31.823 -0.247 0.000 0.984 159 V HN 0.374 nan 8.190 nan 0.000 0.482 160 V N 4.421 124.400 119.914 0.108 0.000 2.501 160 V HA 0.683 4.803 4.120 0.001 0.000 0.277 160 V C 0.385 176.564 176.094 0.143 0.000 1.004 160 V CA -0.086 62.279 62.300 0.108 0.000 0.862 160 V CB 1.137 32.995 31.823 0.059 0.000 1.035 160 V HN 1.008 nan 8.190 nan 0.000 0.448 161 G N 1.745 110.650 108.800 0.174 0.000 2.685 161 G HA2 0.838 4.799 3.960 0.001 0.000 0.298 161 G HA3 0.838 4.799 3.960 0.001 0.000 0.298 161 G C -0.987 173.996 174.900 0.137 0.000 1.277 161 G CA -0.665 44.519 45.100 0.139 0.000 0.986 161 G HN 0.683 nan 8.290 nan 0.000 0.487 162 S N -2.047 113.686 115.700 0.055 0.000 2.567 162 S HA 0.565 5.036 4.470 0.001 0.000 0.270 162 S C -2.069 172.523 174.600 -0.013 0.000 1.152 162 S CA -0.610 57.652 58.200 0.103 0.000 0.835 162 S CB 0.927 64.174 63.200 0.079 0.000 1.115 162 S HN 0.444 nan 8.310 nan 0.000 0.459 163 Y N 1.723 122.029 120.300 0.009 0.000 2.342 163 Y HA 0.608 5.158 4.550 0.001 0.000 0.334 163 Y C -0.363 175.439 175.900 -0.165 0.000 1.067 163 Y CA -0.417 57.643 58.100 -0.066 0.000 1.128 163 Y CB 1.287 39.715 38.460 -0.053 0.000 1.200 163 Y HN 0.574 nan 8.280 nan 0.000 0.464 164 F N 4.804 124.689 119.950 -0.109 0.000 2.427 164 F HA 0.562 5.089 4.527 0.001 0.000 0.348 164 F C -0.747 174.910 175.800 -0.239 0.000 1.125 164 F CA -1.311 56.614 58.000 -0.125 0.000 0.989 164 F CB 0.627 39.644 39.000 0.027 0.000 1.165 164 F HN 0.242 nan 8.300 nan 0.000 0.442 165 V N 3.910 123.305 119.914 -0.865 0.000 2.488 165 V HA 0.293 4.414 4.120 0.001 0.000 0.277 165 V C 1.205 176.874 176.094 -0.708 0.000 1.046 165 V CA -0.193 61.716 62.300 -0.652 0.000 0.986 165 V CB 1.433 32.976 31.823 -0.466 0.000 0.989 165 V HN 1.029 nan 8.190 nan 0.000 0.475 166 E N 4.599 124.541 120.200 -0.430 0.000 2.049 166 E HA -0.216 4.134 4.350 0.001 0.000 0.198 166 E C 1.923 178.498 176.600 -0.042 0.000 1.007 166 E CA 2.037 58.348 56.400 -0.149 0.000 0.809 166 E CB -0.179 29.496 29.700 -0.041 0.000 0.749 166 E HN 1.014 nan 8.360 nan 0.000 0.450 167 A N 0.451 123.260 122.820 -0.019 0.000 2.172 167 A HA -0.007 4.314 4.320 0.001 0.000 0.216 167 A C 2.182 179.779 177.584 0.022 0.000 1.154 167 A CA 1.099 53.206 52.037 0.116 0.000 0.701 167 A CB -0.808 18.236 19.000 0.073 0.000 0.789 167 A HN 0.449 nan 8.150 nan 0.000 0.465 168 G N -0.179 108.489 108.800 -0.219 0.000 2.586 168 G HA2 -0.014 3.947 3.960 0.001 0.000 0.215 168 G HA3 -0.014 3.947 3.960 0.001 0.000 0.215 168 G C 1.266 176.054 174.900 -0.186 0.000 1.128 168 G CA 1.149 46.071 45.100 -0.297 0.000 0.774 168 G HN 0.979 nan 8.290 nan 0.000 0.543 169 V N -3.278 116.527 119.914 -0.182 0.000 3.573 169 V HA 0.228 4.349 4.120 0.001 0.000 0.270 169 V C 1.641 177.528 176.094 -0.344 0.000 1.221 169 V CA 0.076 62.242 62.300 -0.223 0.000 1.163 169 V CB -1.006 30.664 31.823 -0.255 0.000 0.847 169 V HN 0.261 nan 8.190 nan 0.000 0.468 170 Y N 2.098 122.377 120.300 -0.036 0.000 3.098 170 Y HA 0.564 5.115 4.550 0.001 0.000 0.204 170 Y C 2.687 178.550 175.900 -0.061 0.000 0.896 170 Y CA 1.256 59.344 58.100 -0.019 0.000 1.051 170 Y CB -1.141 37.309 38.460 -0.017 0.000 1.077 170 Y HN 0.081 nan 8.280 nan 0.000 0.463 171 G N 0.223 109.085 108.800 0.103 0.000 2.529 171 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 171 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 171 G C 1.523 176.287 174.900 -0.227 0.000 1.177 171 G CA 1.280 46.373 45.100 -0.011 0.000 0.773 171 G HN 0.327 nan 8.290 nan 0.000 0.573 172 R N -0.110 120.030 120.500 -0.600 0.000 2.285 172 R HA -0.022 4.319 4.340 0.001 0.000 0.213 172 R C 1.208 177.457 176.300 -0.085 0.000 1.068 172 R CA 0.489 56.229 56.100 -0.600 0.000 1.004 172 R CB -0.311 29.562 30.300 -0.712 0.000 0.873 172 R HN 0.423 nan 8.270 nan 0.000 0.467 173 N N 0.089 118.761 118.700 -0.045 0.000 2.707 173 N HA -0.262 4.479 4.740 0.001 0.000 0.253 173 N C -1.442 174.111 175.510 0.072 0.000 0.998 173 N CA 0.480 53.542 53.050 0.020 0.000 0.751 173 N CB -1.025 37.495 38.487 0.056 0.000 0.920 173 N HN 0.252 nan 8.380 nan 0.000 0.539 174 F N 0.960 120.861 119.950 -0.082 0.000 2.359 174 F HA 0.405 4.933 4.527 0.001 0.000 0.369 174 F C 0.613 176.471 175.800 0.096 0.000 1.084 174 F CA -0.222 57.767 58.000 -0.019 0.000 1.096 174 F CB 0.406 39.360 39.000 -0.077 0.000 1.335 174 F HN 0.154 nan 8.300 nan 0.000 0.457 175 T N 0.891 115.388 114.554 -0.094 0.000 2.862 175 T HA 0.269 4.620 4.350 0.001 0.000 0.276 175 T C 1.280 175.959 174.700 -0.035 0.000 0.974 175 T CA -0.718 61.416 62.100 0.056 0.000 0.966 175 T CB 1.464 70.291 68.868 -0.067 0.000 1.072 175 T HN 0.231 nan 8.240 nan 0.000 0.538 176 V N 1.773 121.595 119.914 -0.154 0.000 2.568 176 V HA -0.173 3.948 4.120 0.001 0.000 0.253 176 V C 2.527 178.480 176.094 -0.234 0.000 1.072 176 V CA 2.219 64.299 62.300 -0.368 0.000 1.084 176 V CB -1.014 30.547 31.823 -0.437 0.000 0.676 176 V HN 1.043 nan 8.190 nan 0.000 0.469 177 D N -0.007 120.272 120.400 -0.202 0.000 2.371 177 D HA -0.171 4.469 4.640 0.001 0.000 0.221 177 D C 1.579 177.765 176.300 -0.190 0.000 0.986 177 D CA 0.663 54.564 54.000 -0.166 0.000 0.899 177 D CB -0.114 40.603 40.800 -0.138 0.000 0.902 177 D HN 0.417 nan 8.370 nan 0.000 0.530 178 K N 0.207 120.410 120.400 -0.328 0.000 2.374 178 K HA 0.240 4.561 4.320 0.001 0.000 0.196 178 K C 0.658 177.119 176.600 -0.232 0.000 1.023 178 K CA -0.181 55.851 56.287 -0.424 0.000 1.103 178 K CB 0.875 32.817 32.500 -0.930 0.000 0.848 178 K HN 0.183 nan 8.250 nan 0.000 0.528 179 I N 4.173 124.690 120.570 -0.089 0.000 2.471 179 I HA 0.045 4.216 4.170 0.001 0.000 0.286 179 I C -1.830 174.325 176.117 0.063 0.000 1.079 179 I CA -1.897 59.472 61.300 0.115 0.000 1.398 179 I CB 0.781 38.836 38.000 0.091 0.000 1.403 179 I HN -0.159 nan 8.210 nan 0.000 0.530 180 P HA 0.106 nan 4.420 nan 0.000 0.226 180 P C 0.639 177.934 177.300 -0.007 0.000 1.783 180 P CA -0.092 63.041 63.100 0.054 0.000 0.980 180 P CB 0.504 32.256 31.700 0.087 0.000 1.967 181 A N 2.999 125.780 122.820 -0.065 0.000 2.042 181 A HA -0.249 4.072 4.320 0.001 0.000 0.222 181 A C 2.193 179.516 177.584 -0.435 0.000 1.167 181 A CA 1.846 53.750 52.037 -0.221 0.000 0.649 181 A CB -0.884 17.980 19.000 -0.227 0.000 0.809 181 A HN 0.543 nan 8.150 nan 0.000 0.457 182 Q N -1.160 118.426 119.800 -0.356 0.000 2.436 182 Q HA -0.040 4.301 4.340 0.001 0.000 0.209 182 Q C 0.221 176.178 176.000 -0.072 0.000 0.965 182 Q CA 1.175 56.820 55.803 -0.263 0.000 0.910 182 Q CB -0.213 28.505 28.738 -0.034 0.000 0.980 182 Q HN 0.496 nan 8.270 nan 0.000 0.491 183 N N 0.497 119.182 118.700 -0.024 0.000 2.279 183 N HA 0.320 5.060 4.740 0.001 0.000 0.226 183 N C -0.941 174.576 175.510 0.013 0.000 1.126 183 N CA 0.179 53.254 53.050 0.043 0.000 0.846 183 N CB 0.645 39.188 38.487 0.093 0.000 1.050 183 N HN 0.223 nan 8.380 nan 0.000 0.502 184 L N -1.077 120.137 121.223 -0.014 0.000 2.376 184 L HA 0.436 4.777 4.340 0.001 0.000 0.258 184 L C 1.137 178.021 176.870 0.024 0.000 1.013 184 L CA -0.480 54.370 54.840 0.016 0.000 0.822 184 L CB 2.294 44.359 42.059 0.011 0.000 1.388 184 L HN -0.048 nan 8.230 nan 0.000 0.413 185 T N -4.399 110.213 114.554 0.098 0.000 2.964 185 T HA 0.253 4.604 4.350 0.001 0.000 0.249 185 T C 0.149 174.862 174.700 0.023 0.000 1.000 185 T CA 0.139 62.303 62.100 0.108 0.000 0.992 185 T CB 0.112 69.121 68.868 0.235 0.000 1.087 185 T HN 0.514 nan 8.240 nan 0.000 0.489 186 H N 0.116 119.203 119.070 0.028 0.000 2.771 186 H HA 0.750 5.307 4.556 0.001 0.000 0.361 186 H C -1.703 173.616 175.328 -0.015 0.000 1.108 186 H CA -0.933 55.134 56.048 0.033 0.000 1.201 186 H CB 2.007 31.812 29.762 0.072 0.000 1.681 186 H HN 0.153 nan 8.280 nan 0.000 0.534 187 L N 3.683 124.950 121.223 0.073 0.000 2.372 187 L HA 0.471 4.812 4.340 0.001 0.000 0.273 187 L C -1.800 175.073 176.870 0.006 0.000 0.989 187 L CA -0.505 54.351 54.840 0.027 0.000 0.841 187 L CB 0.791 42.880 42.059 0.051 0.000 1.225 187 L HN 0.482 nan 8.230 nan 0.000 0.414 188 L N 5.289 126.396 121.223 -0.192 0.000 2.289 188 L HA 0.425 4.765 4.340 0.001 0.000 0.285 188 L C -0.632 176.219 176.870 -0.032 0.000 1.049 188 L CA -0.297 54.381 54.840 -0.269 0.000 0.804 188 L CB 0.985 42.465 42.059 -0.965 0.000 1.195 188 L HN 0.469 nan 8.230 nan 0.000 0.428 189 Y N 1.325 121.652 120.300 0.045 0.000 2.346 189 Y HA 0.310 4.861 4.550 0.001 0.000 0.330 189 Y C 1.420 177.363 175.900 0.071 0.000 1.178 189 Y CA -0.462 57.752 58.100 0.189 0.000 1.331 189 Y CB 1.493 40.141 38.460 0.314 0.000 1.253 189 Y HN 0.735 nan 8.280 nan 0.000 0.529 190 G N 5.558 113.968 108.800 -0.649 0.000 3.241 190 G HA2 -0.022 3.939 3.960 0.001 0.000 0.199 190 G HA3 -0.022 3.939 3.960 0.001 0.000 0.199 190 G C -0.786 173.899 174.900 -0.358 0.000 1.210 190 G CA 0.275 44.997 45.100 -0.629 0.000 1.182 190 G HN 0.594 nan 8.290 nan 0.000 0.508 191 F N -2.504 117.539 119.950 0.155 0.000 2.152 191 F HA -0.140 4.387 4.527 0.001 0.000 0.518 191 F C 0.050 175.986 175.800 0.226 0.000 1.286 191 F CA -1.374 56.755 58.000 0.214 0.000 1.663 191 F CB -1.266 37.852 39.000 0.196 0.000 2.663 191 F HN -0.002 nan 8.300 nan 0.000 0.723 192 I N 5.634 126.430 120.570 0.377 0.000 2.353 192 I HA 0.384 4.555 4.170 0.001 0.000 0.293 192 I C -1.694 174.468 176.117 0.076 0.000 0.992 192 I CA -2.283 59.127 61.300 0.183 0.000 1.268 192 I CB 1.465 39.441 38.000 -0.040 0.000 1.387 192 I HN 0.214 nan 8.210 nan 0.000 0.478 193 P HA 0.447 nan 4.420 nan 0.000 0.281 193 P C -0.811 176.369 177.300 -0.201 0.000 1.281 193 P CA -0.492 62.515 63.100 -0.156 0.000 0.811 193 P CB 1.755 33.287 31.700 -0.280 0.000 1.154 194 I N 0.229 120.630 120.570 -0.283 0.000 2.418 194 I HA 0.206 4.376 4.170 0.001 0.000 0.287 194 I C 0.359 176.262 176.117 -0.356 0.000 1.008 194 I CA -0.889 60.232 61.300 -0.298 0.000 1.104 194 I CB 1.317 39.055 38.000 -0.438 0.000 1.264 194 I HN 0.267 nan 8.210 nan 0.000 0.438 195 c N 4.784 123.207 118.600 -0.296 0.000 2.597 195 c HA 0.474 5.045 4.570 0.001 0.000 0.412 195 c C 0.950 174.768 174.090 -0.453 0.000 1.348 195 c CA 0.317 56.462 56.329 -0.308 0.000 1.769 195 c CB -1.030 41.361 42.510 -0.198 0.000 2.641 195 c HN 1.028 nan 8.230 nan 0.000 0.612 196 G N 2.295 110.851 108.800 -0.407 0.000 2.341 196 G HA2 0.507 4.468 3.960 0.001 0.000 0.300 196 G HA3 0.507 4.468 3.960 0.001 0.000 0.300 196 G C -0.363 174.365 174.900 -0.287 0.000 1.706 196 G CA -0.001 44.836 45.100 -0.440 0.000 0.916 196 G HN 1.057 nan 8.290 nan 0.000 0.716 197 G N 0.556 109.260 108.800 -0.159 0.000 3.329 197 G HA2 0.448 4.408 3.960 0.001 0.000 0.180 197 G HA3 0.448 4.408 3.960 0.001 0.000 0.180 197 G C 0.171 175.239 174.900 0.279 0.000 1.640 197 G CA -0.541 44.594 45.100 0.058 0.000 1.018 197 G HN 0.697 nan 8.290 nan 0.000 0.581 198 N N 0.837 119.686 118.700 0.247 0.000 2.458 198 N HA 0.305 5.046 4.740 0.001 0.000 0.258 198 N C 1.177 176.712 175.510 0.041 0.000 1.219 198 N CA 1.231 54.340 53.050 0.098 0.000 0.902 198 N CB 1.002 39.510 38.487 0.036 0.000 1.076 198 N HN 1.022 nan 8.380 nan 0.000 0.455 199 G N 1.178 110.001 108.800 0.038 0.000 2.205 199 G HA2 -0.272 3.688 3.960 0.001 0.000 0.261 199 G HA3 -0.272 3.688 3.960 0.001 0.000 0.261 199 G C 0.756 175.713 174.900 0.096 0.000 0.980 199 G CA 0.464 45.611 45.100 0.079 0.000 0.632 199 G HN 0.578 nan 8.290 nan 0.000 0.533 200 I N -0.959 119.603 120.570 -0.013 0.000 3.718 200 I HA 0.242 4.413 4.170 0.001 0.000 0.297 200 I C 1.128 177.222 176.117 -0.037 0.000 1.220 200 I CA 0.286 61.505 61.300 -0.135 0.000 1.381 200 I CB 0.261 37.990 38.000 -0.453 0.000 1.238 200 I HN 0.046 nan 8.210 nan 0.000 0.448 201 N N 0.773 119.497 118.700 0.041 0.000 2.517 201 N HA 0.074 4.815 4.740 0.001 0.000 0.285 201 N C 0.038 175.652 175.510 0.174 0.000 1.528 201 N CA 0.067 53.159 53.050 0.071 0.000 0.892 201 N CB 0.611 39.097 38.487 -0.002 0.000 1.356 201 N HN 0.093 nan 8.380 nan 0.000 0.495 202 D N 0.413 120.860 120.400 0.078 0.000 2.158 202 D HA -0.098 4.542 4.640 0.001 0.000 0.197 202 D C 1.486 177.771 176.300 -0.024 0.000 0.995 202 D CA 1.210 55.190 54.000 -0.033 0.000 0.846 202 D CB 0.137 40.908 40.800 -0.049 0.000 0.941 202 D HN 0.103 nan 8.370 nan 0.000 0.456 203 S N 0.424 116.117 115.700 -0.011 0.000 2.420 203 S HA -0.126 4.345 4.470 0.001 0.000 0.237 203 S C 2.094 176.705 174.600 0.019 0.000 1.023 203 S CA 0.434 58.612 58.200 -0.037 0.000 0.991 203 S CB -0.172 62.959 63.200 -0.114 0.000 0.792 203 S HN 0.317 nan 8.310 nan 0.000 0.488 204 L N 0.946 122.218 121.223 0.082 0.000 2.141 204 L HA -0.068 4.273 4.340 0.001 0.000 0.209 204 L C 2.171 179.133 176.870 0.153 0.000 1.094 204 L CA 1.034 55.966 54.840 0.153 0.000 0.763 204 L CB -0.381 41.819 42.059 0.236 0.000 0.908 204 L HN 0.272 nan 8.230 nan 0.000 0.437 205 K N -0.115 120.327 120.400 0.070 0.000 2.362 205 K HA -0.187 4.134 4.320 0.001 0.000 0.202 205 K C 1.566 178.178 176.600 0.020 0.000 1.045 205 K CA 0.865 57.137 56.287 -0.025 0.000 0.936 205 K CB -0.026 32.341 32.500 -0.222 0.000 0.747 205 K HN 0.288 nan 8.250 nan 0.000 0.467 206 E N 0.251 120.480 120.200 0.048 0.000 2.427 206 E HA 0.024 4.374 4.350 0.001 0.000 0.196 206 E C 0.501 177.154 176.600 0.088 0.000 1.028 206 E CA 0.564 57.004 56.400 0.066 0.000 0.864 206 E CB 0.136 29.887 29.700 0.086 0.000 0.813 206 E HN 0.346 nan 8.360 nan 0.000 0.514 207 I N 1.810 122.442 120.570 0.103 0.000 2.362 207 I HA 0.094 4.265 4.170 0.001 0.000 0.289 207 I C 0.262 176.435 176.117 0.093 0.000 0.994 207 I CA -1.109 60.254 61.300 0.105 0.000 1.158 207 I CB 1.422 39.497 38.000 0.125 0.000 1.315 207 I HN -0.235 nan 8.210 nan 0.000 0.451 208 E N 5.053 125.295 120.200 0.070 0.000 3.072 208 E HA -0.072 4.279 4.350 0.001 0.000 0.241 208 E C 1.276 177.906 176.600 0.051 0.000 0.962 208 E CA 1.385 57.817 56.400 0.053 0.000 0.955 208 E CB -0.104 29.618 29.700 0.036 0.000 0.899 208 E HN 0.812 nan 8.360 nan 0.000 0.547 209 G N 3.365 112.205 108.800 0.067 0.000 2.200 209 G HA2 -0.425 3.535 3.960 0.001 0.000 0.267 209 G HA3 -0.425 3.535 3.960 0.001 0.000 0.267 209 G C 1.156 176.115 174.900 0.098 0.000 0.993 209 G CA 1.030 46.173 45.100 0.073 0.000 0.701 209 G HN 0.610 nan 8.290 nan 0.000 0.524 210 S N -1.064 114.717 115.700 0.135 0.000 2.357 210 S HA 0.030 4.500 4.470 0.001 0.000 0.221 210 S C 1.979 176.743 174.600 0.274 0.000 1.031 210 S CA 1.593 59.913 58.200 0.199 0.000 0.982 210 S CB -0.268 63.062 63.200 0.218 0.000 0.853 210 S HN 0.786 nan 8.310 nan 0.000 0.458 211 F N 2.244 122.251 119.950 0.094 0.000 2.095 211 F HA -0.170 4.357 4.527 0.001 0.000 0.298 211 F C 2.255 178.082 175.800 0.046 0.000 1.104 211 F CA 2.126 60.154 58.000 0.045 0.000 1.232 211 F CB -0.583 38.425 39.000 0.014 0.000 0.987 211 F HN 0.256 nan 8.300 nan 0.000 0.475 212 Q N 0.512 120.423 119.800 0.186 0.000 2.124 212 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 212 Q C 2.418 178.422 176.000 0.008 0.000 0.977 212 Q CA 1.758 57.610 55.803 0.082 0.000 0.850 212 Q CB -0.828 27.982 28.738 0.120 0.000 0.901 212 Q HN 0.519 nan 8.270 nan 0.000 0.429 213 A N 0.396 123.251 122.820 0.060 0.000 1.902 213 A HA -0.152 4.169 4.320 0.001 0.000 0.217 213 A C 2.005 179.644 177.584 0.092 0.000 1.181 213 A CA 1.327 53.414 52.037 0.084 0.000 0.623 213 A CB -0.675 18.383 19.000 0.097 0.000 0.818 213 A HN 0.370 nan 8.150 nan 0.000 0.443 214 L N -0.545 120.701 121.223 0.040 0.000 2.141 214 L HA -0.145 4.195 4.340 0.001 0.000 0.209 214 L C 2.285 179.034 176.870 -0.201 0.000 1.094 214 L CA 1.915 56.678 54.840 -0.127 0.000 0.763 214 L CB -0.546 41.291 42.059 -0.371 0.000 0.908 214 L HN 0.346 nan 8.230 nan 0.000 0.437 215 Q N -0.506 119.125 119.800 -0.281 0.000 2.167 215 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 215 Q C 2.376 178.319 176.000 -0.095 0.000 0.970 215 Q CA 1.256 56.915 55.803 -0.239 0.000 0.855 215 Q CB -0.411 28.170 28.738 -0.262 0.000 0.911 215 Q HN 0.536 nan 8.270 nan 0.000 0.438 216 R N 0.224 120.696 120.500 -0.046 0.000 2.066 216 R HA -0.046 4.295 4.340 0.001 0.000 0.232 216 R C 2.343 178.665 176.300 0.037 0.000 1.131 216 R CA 1.451 57.555 56.100 0.008 0.000 0.955 216 R CB 0.093 30.410 30.300 0.028 0.000 0.851 216 R HN 0.114 nan 8.270 nan 0.000 0.432 217 S N -0.461 115.270 115.700 0.052 0.000 2.383 217 S HA -0.120 4.350 4.470 0.001 0.000 0.227 217 S C 1.682 176.336 174.600 0.090 0.000 1.026 217 S CA 0.996 59.258 58.200 0.102 0.000 0.981 217 S CB 0.018 63.293 63.200 0.124 0.000 0.818 217 S HN 0.469 nan 8.310 nan 0.000 0.472 218 c N 1.755 120.361 118.600 0.009 0.000 2.613 218 c HA 0.256 4.827 4.570 0.001 0.000 0.273 218 c C 1.064 175.156 174.090 0.003 0.000 1.304 218 c CA -0.789 55.536 56.329 -0.007 0.000 1.702 218 c CB -1.837 40.617 42.510 -0.094 0.000 1.792 218 c HN 0.567 nan 8.230 nan 0.000 0.588 219 Q N 0.756 120.566 119.800 0.016 0.000 2.275 219 Q HA 0.307 4.647 4.340 0.001 0.000 0.293 219 Q C 1.291 177.309 176.000 0.031 0.000 1.129 219 Q CA 1.304 57.117 55.803 0.016 0.000 0.971 219 Q CB -0.104 28.648 28.738 0.024 0.000 1.098 219 Q HN 0.680 nan 8.270 nan 0.000 0.386 220 G N 3.652 112.464 108.800 0.020 0.000 2.176 220 G HA2 -0.327 3.634 3.960 0.001 0.000 0.253 220 G HA3 -0.327 3.634 3.960 0.001 0.000 0.253 220 G C 0.031 174.953 174.900 0.037 0.000 0.979 220 G CA 0.239 45.355 45.100 0.028 0.000 0.641 220 G HN 0.612 nan 8.290 nan 0.000 0.530 221 R N 0.998 121.520 120.500 0.036 0.000 2.346 221 R HA 0.478 4.818 4.340 0.001 0.000 0.311 221 R C 0.328 176.639 176.300 0.019 0.000 0.983 221 R CA -0.648 55.480 56.100 0.047 0.000 0.880 221 R CB 0.591 30.934 30.300 0.071 0.000 1.100 221 R HN 0.406 nan 8.270 nan 0.000 0.453 222 E N 2.274 122.494 120.200 0.033 0.000 2.442 222 E HA -0.074 4.277 4.350 0.001 0.000 0.262 222 E C -0.515 176.093 176.600 0.014 0.000 1.004 222 E CA 0.278 56.697 56.400 0.032 0.000 0.928 222 E CB 0.520 30.252 29.700 0.053 0.000 0.937 222 E HN 0.465 nan 8.360 nan 0.000 0.446 223 D N 0.954 121.362 120.400 0.012 0.000 2.368 223 D HA -0.016 4.625 4.640 0.001 0.000 0.240 223 D C 0.374 176.713 176.300 0.066 0.000 1.169 223 D CA 0.324 54.277 54.000 -0.079 0.000 0.906 223 D CB 0.279 41.021 40.800 -0.097 0.000 1.187 223 D HN 0.440 nan 8.370 nan 0.000 0.435 224 F N -1.760 118.117 119.950 -0.121 0.000 2.840 224 F HA -0.271 4.256 4.527 0.001 0.000 0.310 224 F C 0.873 176.681 175.800 0.012 0.000 0.688 224 F CA 0.758 58.696 58.000 -0.104 0.000 1.286 224 F CB -1.387 37.550 39.000 -0.105 0.000 1.612 224 F HN 0.157 nan 8.300 nan 0.000 0.335 225 K N 0.532 120.973 120.400 0.068 0.000 2.123 225 K HA 0.558 4.878 4.320 0.001 0.000 0.248 225 K C 0.437 177.029 176.600 -0.015 0.000 0.969 225 K CA -1.058 55.268 56.287 0.064 0.000 0.882 225 K CB 1.329 33.853 32.500 0.040 0.000 1.080 225 K HN -0.153 nan 8.250 nan 0.000 0.441 226 I N 1.128 121.659 120.570 -0.064 0.000 2.882 226 I HA 0.086 4.256 4.170 0.001 0.000 0.286 226 I C 0.697 176.648 176.117 -0.278 0.000 1.139 226 I CA 0.747 61.934 61.300 -0.189 0.000 1.379 226 I CB 1.367 39.156 38.000 -0.352 0.000 1.410 226 I HN 0.618 nan 8.210 nan 0.000 0.594 227 S N 4.614 120.105 115.700 -0.349 0.000 2.661 227 S HA 0.632 5.103 4.470 0.001 0.000 0.268 227 S C -1.149 173.292 174.600 -0.264 0.000 1.162 227 S CA -0.674 57.237 58.200 -0.481 0.000 0.817 227 S CB 1.131 64.171 63.200 -0.266 0.000 1.141 227 S HN 0.305 nan 8.310 nan 0.000 0.477 228 I N 2.312 122.807 120.570 -0.124 0.000 2.354 228 I HA 0.362 4.532 4.170 0.001 0.000 0.292 228 I C 1.299 177.532 176.117 0.194 0.000 0.989 228 I CA -0.476 60.905 61.300 0.135 0.000 1.188 228 I CB 1.616 39.741 38.000 0.208 0.000 1.342 228 I HN 0.881 nan 8.210 nan 0.000 0.457 229 H N 3.789 122.930 119.070 0.118 0.000 2.299 229 H HA -0.082 4.474 4.556 0.001 0.000 0.302 229 H C 0.340 175.741 175.328 0.122 0.000 1.078 229 H CA 0.927 57.035 56.048 0.100 0.000 1.323 229 H CB 0.584 30.418 29.762 0.119 0.000 1.381 229 H HN 0.508 nan 8.280 nan 0.000 0.498 230 D N -0.639 119.908 120.400 0.246 0.000 2.460 230 D HA 0.132 4.773 4.640 0.001 0.000 0.268 230 D C -1.976 174.439 176.300 0.192 0.000 1.153 230 D CA -2.326 51.786 54.000 0.187 0.000 0.929 230 D CB 1.112 42.020 40.800 0.181 0.000 1.015 230 D HN 0.145 nan 8.370 nan 0.000 0.502 231 P HA -0.159 nan 4.420 nan 0.000 0.216 231 P C 1.348 178.718 177.300 0.118 0.000 1.154 231 P CA 0.751 63.926 63.100 0.125 0.000 0.865 231 P CB 0.072 31.874 31.700 0.170 0.000 0.789 232 F N 0.731 120.726 119.950 0.076 0.000 2.075 232 F HA -0.169 4.359 4.527 0.001 0.000 0.297 232 F C 2.234 178.079 175.800 0.075 0.000 1.113 232 F CA 1.776 59.827 58.000 0.084 0.000 1.218 232 F CB -1.033 38.041 39.000 0.123 0.000 0.984 232 F HN -0.139 nan 8.300 nan 0.000 0.472 233 A N 0.128 123.007 122.820 0.098 0.000 1.972 233 A HA -0.009 4.312 4.320 0.001 0.000 0.219 233 A C 2.337 179.885 177.584 -0.060 0.000 1.169 233 A CA 1.712 53.726 52.037 -0.038 0.000 0.635 233 A CB -1.484 17.616 19.000 0.166 0.000 0.810 233 A HN 0.531 nan 8.150 nan 0.000 0.446 234 A N -1.115 121.673 122.820 -0.052 0.000 1.897 234 A HA 0.257 4.578 4.320 0.001 0.000 0.215 234 A C 1.796 179.165 177.584 -0.358 0.000 1.181 234 A CA 1.496 53.403 52.037 -0.216 0.000 0.620 234 A CB -0.205 18.501 19.000 -0.490 0.000 0.821 234 A HN 0.464 nan 8.150 nan 0.000 0.443 235 L N -2.196 118.851 121.223 -0.293 0.000 3.217 235 L HA 0.172 4.512 4.340 0.001 0.000 0.288 235 L C 1.793 178.595 176.870 -0.114 0.000 1.202 235 L CA 0.177 54.909 54.840 -0.181 0.000 1.027 235 L CB 0.476 42.445 42.059 -0.150 0.000 1.427 235 L HN 0.316 nan 8.230 nan 0.000 0.600 236 Q N -0.509 119.157 119.800 -0.222 0.000 2.391 236 Q HA 0.131 4.472 4.340 0.001 0.000 0.243 236 Q C 0.569 176.300 176.000 -0.449 0.000 0.874 236 Q CA -0.105 55.563 55.803 -0.225 0.000 0.950 236 Q CB 0.977 29.699 28.738 -0.026 0.000 1.103 236 Q HN 0.117 nan 8.270 nan 0.000 0.544 237 K N 1.825 121.696 120.400 -0.883 0.000 2.412 237 K HA 0.312 4.633 4.320 0.001 0.000 0.281 237 K C -0.619 175.806 176.600 -0.293 0.000 1.027 237 K CA -0.212 55.609 56.287 -0.777 0.000 0.989 237 K CB 0.653 32.645 32.500 -0.846 0.000 0.935 237 K HN 0.090 nan 8.250 nan 0.000 0.475 238 A N 4.520 127.261 122.820 -0.132 0.000 2.477 238 A HA 0.133 4.454 4.320 0.001 0.000 0.246 238 A C -0.586 176.953 177.584 -0.074 0.000 1.078 238 A CA 0.043 52.041 52.037 -0.064 0.000 0.770 238 A CB 0.424 19.424 19.000 0.001 0.000 1.011 238 A HN 0.703 nan 8.150 nan 0.000 0.494 239 Q N 0.822 120.578 119.800 -0.074 0.000 2.418 239 Q HA 0.258 4.599 4.340 0.001 0.000 0.282 239 Q C -0.863 175.094 176.000 -0.072 0.000 1.044 239 Q CA -0.913 54.844 55.803 -0.077 0.000 0.813 239 Q CB 1.697 30.377 28.738 -0.096 0.000 1.428 239 Q HN 0.851 nan 8.270 nan 0.000 0.402 240 K N 0.131 120.488 120.400 -0.072 0.000 2.511 240 K HA 0.012 4.333 4.320 0.001 0.000 0.277 240 K C 0.840 177.390 176.600 -0.082 0.000 1.025 240 K CA 1.868 58.113 56.287 -0.070 0.000 1.112 240 K CB -0.201 32.255 32.500 -0.074 0.000 0.859 240 K HN 0.849 nan 8.250 nan 0.000 0.485 241 G N 1.896 110.650 108.800 -0.076 0.000 2.284 241 G HA2 -0.289 3.672 3.960 0.001 0.000 0.230 241 G HA3 -0.289 3.672 3.960 0.001 0.000 0.230 241 G C 0.007 174.852 174.900 -0.090 0.000 1.021 241 G CA 0.135 45.181 45.100 -0.090 0.000 0.619 241 G HN 1.033 nan 8.290 nan 0.000 0.510 242 V N -1.011 118.856 119.914 -0.080 0.000 2.464 242 V HA 0.735 4.855 4.120 0.001 0.000 0.255 242 V C 0.731 176.791 176.094 -0.056 0.000 0.946 242 V CA 0.809 63.067 62.300 -0.071 0.000 0.988 242 V CB -0.089 31.695 31.823 -0.065 0.000 1.210 242 V HN 0.855 nan 8.190 nan 0.000 0.523 243 T N -1.528 113.000 114.554 -0.043 0.000 2.990 243 T HA 0.485 4.836 4.350 0.001 0.000 0.250 243 T C 1.044 175.751 174.700 0.012 0.000 1.041 243 T CA 0.622 62.714 62.100 -0.013 0.000 1.010 243 T CB 0.481 69.347 68.868 -0.004 0.000 1.003 243 T HN 1.233 nan 8.240 nan 0.000 0.499 244 A N 3.277 126.084 122.820 -0.021 0.000 2.546 244 A HA 0.283 4.604 4.320 0.001 0.000 0.243 244 A C 1.376 178.934 177.584 -0.044 0.000 1.063 244 A CA -0.193 51.827 52.037 -0.029 0.000 0.757 244 A CB -0.266 18.656 19.000 -0.131 0.000 0.991 244 A HN 0.684 nan 8.150 nan 0.000 0.503 245 W N 2.955 124.243 121.300 -0.020 0.000 2.364 245 W HA -0.153 4.507 4.660 0.001 0.000 0.281 245 W C -0.020 176.484 176.519 -0.025 0.000 1.219 245 W CA 1.390 58.728 57.345 -0.013 0.000 1.220 245 W CB -0.516 28.943 29.460 -0.002 0.000 1.127 245 W HN 0.759 nan 8.180 nan 0.000 0.556 246 D N 0.064 119.810 120.400 -1.091 0.000 2.424 246 D HA 0.009 4.649 4.640 0.001 0.000 0.220 246 D C -0.415 175.543 176.300 -0.569 0.000 1.150 246 D CA -0.230 53.130 54.000 -1.068 0.000 0.831 246 D CB -0.740 39.020 40.800 -1.733 0.000 0.981 246 D HN -0.151 nan 8.370 nan 0.000 0.500 247 D N 2.519 122.695 120.400 -0.374 0.000 2.389 247 D HA 0.046 4.687 4.640 0.001 0.000 0.247 247 D C -0.901 175.231 176.300 -0.281 0.000 1.128 247 D CA -1.216 52.616 54.000 -0.279 0.000 0.884 247 D CB 1.892 42.590 40.800 -0.169 0.000 1.194 247 D HN 0.062 nan 8.370 nan 0.000 0.441 248 P HA -0.148 nan 4.420 nan 0.000 0.216 248 P C -0.297 176.788 177.300 -0.359 0.000 1.153 248 P CA 1.179 63.968 63.100 -0.518 0.000 0.848 248 P CB 0.221 31.370 31.700 -0.918 0.000 0.787 249 Y N -0.124 120.191 120.300 0.025 0.000 2.326 249 Y HA 0.503 5.054 4.550 0.001 0.000 0.331 249 Y C 1.043 176.941 175.900 -0.004 0.000 0.962 249 Y CA -1.238 56.895 58.100 0.055 0.000 1.167 249 Y CB 1.356 39.895 38.460 0.132 0.000 1.148 249 Y HN -0.189 nan 8.280 nan 0.000 0.463 250 K N 0.866 121.315 120.400 0.081 0.000 2.092 250 K HA 0.780 5.101 4.320 0.001 0.000 0.256 250 K C 0.490 177.052 176.600 -0.063 0.000 1.041 250 K CA -0.629 55.645 56.287 -0.022 0.000 1.070 250 K CB 0.886 33.343 32.500 -0.071 0.000 1.707 250 K HN 0.749 nan 8.250 nan 0.000 0.750 251 G N 1.132 109.854 108.800 -0.130 0.000 2.598 251 G HA2 -0.314 3.647 3.960 0.001 0.000 0.269 251 G HA3 -0.314 3.647 3.960 0.001 0.000 0.269 251 G C 0.343 175.203 174.900 -0.066 0.000 1.289 251 G CA 0.462 45.477 45.100 -0.141 0.000 0.926 251 G HN 0.630 nan 8.290 nan 0.000 0.567 252 N N -0.604 118.110 118.700 0.024 0.000 2.084 252 N HA -0.084 4.656 4.740 0.001 0.000 0.190 252 N C 2.105 177.609 175.510 -0.009 0.000 1.030 252 N CA 2.000 55.097 53.050 0.079 0.000 0.849 252 N CB -0.444 38.286 38.487 0.406 0.000 1.012 252 N HN 0.419 nan 8.380 nan 0.000 0.423 253 F N 1.490 121.259 119.950 -0.301 0.000 2.065 253 F HA -0.083 4.445 4.527 0.001 0.000 0.298 253 F C 2.677 178.109 175.800 -0.613 0.000 1.112 253 F CA 1.134 58.799 58.000 -0.558 0.000 1.212 253 F CB -1.312 37.421 39.000 -0.445 0.000 0.975 253 F HN 0.092 nan 8.300 nan 0.000 0.476 254 G N -0.894 107.852 108.800 -0.090 0.000 2.491 254 G HA2 -0.289 3.672 3.960 0.001 0.000 0.218 254 G HA3 -0.289 3.672 3.960 0.001 0.000 0.218 254 G C 1.581 176.356 174.900 -0.209 0.000 1.180 254 G CA 0.918 45.975 45.100 -0.072 0.000 0.774 254 G HN 0.383 nan 8.290 nan 0.000 0.562 255 Q N -0.309 119.361 119.800 -0.218 0.000 2.084 255 Q HA 0.042 4.382 4.340 0.001 0.000 0.202 255 Q C 2.740 178.539 176.000 -0.335 0.000 0.978 255 Q CA 0.864 56.523 55.803 -0.241 0.000 0.844 255 Q CB -0.254 28.358 28.738 -0.211 0.000 0.898 255 Q HN 0.458 nan 8.270 nan 0.000 0.426 256 L N -0.054 120.878 121.223 -0.485 0.000 2.131 256 L HA -0.196 4.145 4.340 0.001 0.000 0.210 256 L C 2.413 178.897 176.870 -0.643 0.000 1.092 256 L CA 0.861 55.353 54.840 -0.581 0.000 0.759 256 L CB -0.270 41.327 42.059 -0.770 0.000 0.903 256 L HN 0.335 nan 8.230 nan 0.000 0.435 257 M N -0.849 118.296 119.600 -0.759 0.000 2.117 257 M HA -0.187 4.294 4.480 0.001 0.000 0.262 257 M C 2.503 178.641 176.300 -0.271 0.000 1.065 257 M CA 1.931 56.933 55.300 -0.496 0.000 1.114 257 M CB -0.424 31.979 32.600 -0.330 0.000 1.361 257 M HN 0.312 nan 8.290 nan 0.000 0.408 258 A N -0.040 122.626 122.820 -0.257 0.000 1.930 258 A HA -0.133 4.188 4.320 0.001 0.000 0.217 258 A C 2.048 179.529 177.584 -0.172 0.000 1.175 258 A CA 1.175 53.090 52.037 -0.204 0.000 0.627 258 A CB -0.718 18.166 19.000 -0.192 0.000 0.815 258 A HN 0.419 nan 8.150 nan 0.000 0.443 259 L N -0.481 120.637 121.223 -0.174 0.000 2.131 259 L HA -0.102 4.239 4.340 0.001 0.000 0.210 259 L C 2.080 178.918 176.870 -0.053 0.000 1.092 259 L CA 1.763 56.547 54.840 -0.093 0.000 0.759 259 L CB -0.274 41.726 42.059 -0.098 0.000 0.903 259 L HN 0.148 nan 8.230 nan 0.000 0.435 260 K N -0.756 119.592 120.400 -0.088 0.000 2.217 260 K HA -0.072 4.249 4.320 0.001 0.000 0.202 260 K C 1.997 178.560 176.600 -0.062 0.000 1.051 260 K CA 0.674 56.937 56.287 -0.040 0.000 0.952 260 K CB -0.108 32.377 32.500 -0.024 0.000 0.736 260 K HN 0.434 nan 8.250 nan 0.000 0.453 261 Q N -0.122 119.617 119.800 -0.103 0.000 2.172 261 Q HA -0.002 4.338 4.340 0.001 0.000 0.200 261 Q C 1.938 177.844 176.000 -0.156 0.000 0.964 261 Q CA 1.168 56.902 55.803 -0.115 0.000 0.855 261 Q CB -0.085 28.575 28.738 -0.131 0.000 0.918 261 Q HN 0.265 nan 8.270 nan 0.000 0.444 262 A N 0.227 122.914 122.820 -0.222 0.000 1.935 262 A HA -0.046 4.275 4.320 0.001 0.000 0.214 262 A C 0.618 177.846 177.584 -0.594 0.000 1.178 262 A CA 0.597 52.384 52.037 -0.416 0.000 0.640 262 A CB 0.017 18.712 19.000 -0.509 0.000 0.825 262 A HN 0.251 nan 8.150 nan 0.000 0.447 263 H N -1.173 117.868 119.070 -0.048 0.000 2.423 263 H HA 0.242 4.799 4.556 0.001 0.000 0.237 263 H C -2.225 173.082 175.328 -0.035 0.000 1.391 263 H CA -1.718 54.309 56.048 -0.035 0.000 1.453 263 H CB 0.601 30.344 29.762 -0.030 0.000 1.484 263 H HN 0.221 nan 8.280 nan 0.000 0.505 264 P HA -0.168 nan 4.420 nan 0.000 0.216 264 P C 1.126 178.436 177.300 0.016 0.000 1.153 264 P CA 1.279 64.385 63.100 0.009 0.000 0.858 264 P CB 0.491 32.185 31.700 -0.010 0.000 0.789 265 D N -1.186 119.232 120.400 0.029 0.000 2.348 265 D HA -0.031 4.609 4.640 0.001 0.000 0.216 265 D C 0.811 177.104 176.300 -0.012 0.000 0.970 265 D CA 0.266 54.272 54.000 0.010 0.000 0.889 265 D CB -0.268 40.545 40.800 0.022 0.000 0.912 265 D HN 0.142 nan 8.370 nan 0.000 0.524 266 L N 2.039 123.269 121.223 0.011 0.000 2.462 266 L HA 0.041 4.381 4.340 0.001 0.000 0.272 266 L C -0.036 176.799 176.870 -0.057 0.000 1.166 266 L CA -0.104 54.720 54.840 -0.026 0.000 0.880 266 L CB 0.455 42.520 42.059 0.012 0.000 1.142 266 L HN -0.342 nan 8.230 nan 0.000 0.473 267 K N 7.495 127.803 120.400 -0.154 0.000 2.267 267 K HA 0.374 4.695 4.320 0.001 0.000 0.282 267 K C -0.628 175.964 176.600 -0.013 0.000 1.078 267 K CA -0.008 56.195 56.287 -0.139 0.000 0.903 267 K CB 0.651 32.919 32.500 -0.386 0.000 1.111 267 K HN 0.593 nan 8.250 nan 0.000 0.475 268 I N 5.108 125.728 120.570 0.083 0.000 2.312 268 I HA 0.265 4.436 4.170 0.001 0.000 0.290 268 I C -0.141 176.162 176.117 0.311 0.000 1.008 268 I CA -0.595 60.814 61.300 0.181 0.000 1.226 268 I CB 0.605 38.716 38.000 0.184 0.000 1.371 268 I HN 0.234 nan 8.210 nan 0.000 0.468 269 L N 8.660 130.042 121.223 0.264 0.000 2.341 269 L HA 0.548 4.889 4.340 0.001 0.000 0.278 269 L C -2.419 174.505 176.870 0.091 0.000 1.005 269 L CA -1.924 53.033 54.840 0.195 0.000 0.818 269 L CB 2.286 44.453 42.059 0.179 0.000 1.259 269 L HN 0.315 nan 8.230 nan 0.000 0.418 270 P HA 0.155 nan 4.420 nan 0.000 0.287 270 P C -0.920 176.382 177.300 0.003 0.000 1.281 270 P CA -0.397 62.541 63.100 -0.271 0.000 0.781 270 P CB 1.451 32.621 31.700 -0.882 0.000 0.903 271 S N 4.138 119.946 115.700 0.181 0.000 2.422 271 S HA 0.409 4.879 4.470 0.001 0.000 0.298 271 S C 0.537 175.385 174.600 0.413 0.000 1.118 271 S CA -0.552 57.846 58.200 0.331 0.000 1.083 271 S CB 0.063 63.559 63.200 0.494 0.000 0.971 271 S HN 0.337 nan 8.310 nan 0.000 0.478 272 I N 3.266 124.049 120.570 0.355 0.000 2.353 272 I HA 0.630 4.801 4.170 0.001 0.000 0.293 272 I C 1.014 177.380 176.117 0.417 0.000 0.992 272 I CA 0.107 61.607 61.300 0.332 0.000 1.268 272 I CB 1.013 39.209 38.000 0.326 0.000 1.387 272 I HN 0.887 nan 8.210 nan 0.000 0.478 273 G N 4.015 112.966 108.800 0.252 0.000 2.456 273 G HA2 0.349 4.310 3.960 0.001 0.000 0.204 273 G HA3 0.349 4.310 3.960 0.001 0.000 0.204 273 G C -0.086 174.659 174.900 -0.259 0.000 1.193 273 G CA -0.046 45.147 45.100 0.156 0.000 1.220 273 G HN 1.532 nan 8.290 nan 0.000 0.565 274 G N -2.189 106.380 108.800 -0.384 0.000 2.603 274 G HA2 0.127 4.088 3.960 0.001 0.000 0.686 274 G HA3 0.127 4.088 3.960 0.001 0.000 0.686 274 G C 0.772 175.440 174.900 -0.386 0.000 1.286 274 G CA 0.448 45.023 45.100 -0.875 0.000 0.871 274 G HN 1.973 nan 8.290 nan 0.000 0.568 275 W N 0.152 121.149 121.300 -0.505 0.000 2.304 275 W HA -0.223 4.437 4.660 0.001 0.000 0.315 275 W C 2.325 178.735 176.519 -0.181 0.000 1.233 275 W CA 3.265 60.425 57.345 -0.309 0.000 1.261 275 W CB -0.418 28.892 29.460 -0.250 0.000 1.150 275 W HN 1.017 nan 8.180 nan 0.000 0.494 276 T N -1.694 112.801 114.554 -0.099 0.000 3.086 276 T HA 0.165 4.516 4.350 0.001 0.000 0.250 276 T C 1.232 175.856 174.700 -0.126 0.000 1.074 276 T CA 0.113 62.142 62.100 -0.117 0.000 0.988 276 T CB -0.377 68.521 68.868 0.051 0.000 0.988 276 T HN 0.150 nan 8.240 nan 0.000 0.530 277 L N 0.460 121.578 121.223 -0.175 0.000 3.122 277 L HA 0.396 4.737 4.340 0.001 0.000 0.274 277 L C 1.577 178.322 176.870 -0.208 0.000 1.222 277 L CA -0.168 54.561 54.840 -0.185 0.000 1.028 277 L CB 0.447 42.399 42.059 -0.178 0.000 1.386 277 L HN 0.148 nan 8.230 nan 0.000 0.578 278 S N -0.485 115.130 115.700 -0.141 0.000 2.501 278 S HA -0.067 4.404 4.470 0.001 0.000 0.220 278 S C 1.184 175.723 174.600 -0.102 0.000 0.997 278 S CA 0.267 58.441 58.200 -0.043 0.000 0.919 278 S CB 0.086 63.329 63.200 0.072 0.000 0.778 278 S HN 0.386 nan 8.310 nan 0.000 0.523 279 D N 2.200 122.611 120.400 0.018 0.000 2.154 279 D HA -0.119 4.521 4.640 0.001 0.000 0.190 279 D C -0.869 175.550 176.300 0.198 0.000 1.003 279 D CA 1.513 55.649 54.000 0.226 0.000 0.849 279 D CB -1.616 39.262 40.800 0.130 0.000 0.942 279 D HN 0.312 nan 8.370 nan 0.000 0.446 280 P HA -0.128 nan 4.420 nan 0.000 0.217 280 P C 1.231 178.448 177.300 -0.138 0.000 1.148 280 P CA 0.836 63.884 63.100 -0.087 0.000 0.828 280 P CB -0.131 31.256 31.700 -0.521 0.000 0.783 281 F N -1.875 117.713 119.950 -0.603 0.000 2.202 281 F HA -0.137 4.390 4.527 0.001 0.000 0.301 281 F C 1.767 176.925 175.800 -1.069 0.000 1.082 281 F CA 1.162 58.426 58.000 -1.227 0.000 1.313 281 F CB -1.569 35.954 39.000 -2.462 0.000 1.024 281 F HN -0.114 nan 8.300 nan 0.000 0.495 282 F N -2.075 117.704 119.950 -0.286 0.000 2.722 282 F HA -0.074 4.454 4.527 0.001 0.000 0.298 282 F C 1.489 177.096 175.800 -0.321 0.000 1.175 282 F CA 0.604 58.499 58.000 -0.174 0.000 1.462 282 F CB -1.088 37.804 39.000 -0.180 0.000 1.111 282 F HN -0.086 nan 8.300 nan 0.000 0.592 283 F N -2.242 117.744 119.950 0.061 0.000 2.720 283 F HA 0.147 4.675 4.527 0.001 0.000 0.301 283 F C 1.967 177.670 175.800 -0.163 0.000 1.103 283 F CA -0.015 57.973 58.000 -0.019 0.000 1.291 283 F CB -0.325 38.682 39.000 0.013 0.000 1.086 283 F HN -0.147 nan 8.300 nan 0.000 0.592 284 M N 0.452 120.038 119.600 -0.023 0.000 2.623 284 M HA -0.045 4.436 4.480 0.001 0.000 0.258 284 M C 2.233 178.521 176.300 -0.020 0.000 1.067 284 M CA 0.963 56.211 55.300 -0.086 0.000 1.068 284 M CB -0.887 31.621 32.600 -0.152 0.000 1.409 284 M HN 0.184 nan 8.290 nan 0.000 0.504 285 G N -0.848 107.964 108.800 0.020 0.000 2.432 285 G HA2 -0.208 3.752 3.960 0.001 0.000 0.219 285 G HA3 -0.208 3.752 3.960 0.001 0.000 0.219 285 G C 0.442 175.348 174.900 0.011 0.000 1.135 285 G CA 0.516 45.641 45.100 0.042 0.000 0.767 285 G HN 0.479 nan 8.290 nan 0.000 0.550 286 D N -0.144 120.244 120.400 -0.021 0.000 2.344 286 D HA 0.131 4.771 4.640 0.001 0.000 0.253 286 D C 1.453 177.721 176.300 -0.054 0.000 1.255 286 D CA -0.289 53.685 54.000 -0.043 0.000 0.894 286 D CB 0.918 41.669 40.800 -0.082 0.000 1.067 286 D HN 0.170 nan 8.370 nan 0.000 0.492 287 K N 2.661 123.047 120.400 -0.023 0.000 2.211 287 K HA -0.132 4.188 4.320 0.001 0.000 0.204 287 K C 1.484 178.071 176.600 -0.022 0.000 1.047 287 K CA 1.010 57.290 56.287 -0.011 0.000 0.935 287 K CB 0.153 32.654 32.500 0.002 0.000 0.728 287 K HN 0.373 nan 8.250 nan 0.000 0.452 288 V N 1.362 121.251 119.914 -0.041 0.000 2.332 288 V HA -0.272 3.849 4.120 0.001 0.000 0.248 288 V C 2.083 178.139 176.094 -0.063 0.000 1.055 288 V CA 1.972 64.245 62.300 -0.044 0.000 1.038 288 V CB -0.383 31.408 31.823 -0.053 0.000 0.651 288 V HN 0.359 nan 8.190 nan 0.000 0.450 289 K N -0.247 120.069 120.400 -0.139 0.000 2.062 289 K HA -0.126 4.194 4.320 0.001 0.000 0.205 289 K C 2.403 178.978 176.600 -0.041 0.000 1.051 289 K CA 1.158 57.322 56.287 -0.205 0.000 0.941 289 K CB -0.218 31.923 32.500 -0.599 0.000 0.719 289 K HN 0.270 nan 8.250 nan 0.000 0.440 290 R N 1.275 121.761 120.500 -0.023 0.000 2.081 290 R HA -0.159 4.181 4.340 0.001 0.000 0.235 290 R C 1.403 177.786 176.300 0.137 0.000 1.131 290 R CA 1.877 58.024 56.100 0.079 0.000 0.960 290 R CB -0.004 30.325 30.300 0.050 0.000 0.856 290 R HN 0.139 nan 8.270 nan 0.000 0.436 291 D N -0.296 120.145 120.400 0.068 0.000 2.117 291 D HA -0.169 4.472 4.640 0.001 0.000 0.198 291 D C 1.846 178.184 176.300 0.064 0.000 0.982 291 D CA 0.960 54.994 54.000 0.056 0.000 0.828 291 D CB -0.242 40.574 40.800 0.026 0.000 0.967 291 D HN 0.239 nan 8.370 nan 0.000 0.464 292 R N -0.376 120.168 120.500 0.073 0.000 2.091 292 R HA -0.165 4.176 4.340 0.001 0.000 0.238 292 R C 2.265 178.637 176.300 0.120 0.000 1.136 292 R CA 0.960 57.109 56.100 0.082 0.000 0.959 292 R CB -0.416 29.937 30.300 0.089 0.000 0.856 292 R HN 0.148 nan 8.270 nan 0.000 0.437 293 F N 0.632 120.587 119.950 0.009 0.000 2.075 293 F HA -0.168 4.360 4.527 0.001 0.000 0.297 293 F C 1.924 177.718 175.800 -0.010 0.000 1.113 293 F CA 1.444 59.443 58.000 -0.002 0.000 1.218 293 F CB -0.522 38.477 39.000 -0.000 0.000 0.984 293 F HN -0.206 nan 8.300 nan 0.000 0.472 294 V N 0.581 120.465 119.914 -0.050 0.000 2.490 294 V HA -0.237 3.884 4.120 0.001 0.000 0.250 294 V C 2.688 178.679 176.094 -0.171 0.000 1.061 294 V CA 1.894 64.088 62.300 -0.177 0.000 1.064 294 V CB -1.609 30.208 31.823 -0.010 0.000 0.670 294 V HN 0.583 nan 8.190 nan 0.000 0.461 295 G N 0.022 108.769 108.800 -0.088 0.000 2.394 295 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 295 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 295 G C 1.872 176.729 174.900 -0.071 0.000 1.165 295 G CA 1.171 46.235 45.100 -0.061 0.000 0.784 295 G HN 0.638 nan 8.290 nan 0.000 0.535 296 S N 0.367 116.012 115.700 -0.091 0.000 2.383 296 S HA -0.086 4.385 4.470 0.001 0.000 0.227 296 S C 2.294 176.838 174.600 -0.093 0.000 1.026 296 S CA 1.377 59.542 58.200 -0.059 0.000 0.981 296 S CB -0.452 62.717 63.200 -0.053 0.000 0.818 296 S HN 0.091 nan 8.310 nan 0.000 0.472 297 V N 2.621 122.364 119.914 -0.284 0.000 2.295 297 V HA -0.181 3.939 4.120 0.001 0.000 0.246 297 V C 2.788 178.837 176.094 -0.074 0.000 1.049 297 V CA 2.230 64.365 62.300 -0.275 0.000 1.024 297 V CB -0.855 30.677 31.823 -0.485 0.000 0.648 297 V HN 0.593 nan 8.190 nan 0.000 0.447 298 K N 0.316 120.652 120.400 -0.106 0.000 2.009 298 K HA -0.289 4.032 4.320 0.001 0.000 0.210 298 K C 2.272 178.859 176.600 -0.021 0.000 1.049 298 K CA 2.240 58.477 56.287 -0.083 0.000 0.929 298 K CB -0.275 32.171 32.500 -0.090 0.000 0.714 298 K HN 0.567 nan 8.250 nan 0.000 0.440 299 E N -0.511 119.696 120.200 0.011 0.000 2.160 299 E HA -0.224 4.126 4.350 0.001 0.000 0.195 299 E C 1.834 178.484 176.600 0.084 0.000 0.991 299 E CA 1.080 57.500 56.400 0.033 0.000 0.810 299 E CB -0.170 29.564 29.700 0.057 0.000 0.742 299 E HN 0.403 nan 8.360 nan 0.000 0.466 300 F N 0.841 120.797 119.950 0.010 0.000 2.113 300 F HA -0.090 4.437 4.527 0.001 0.000 0.297 300 F C 1.902 177.772 175.800 0.116 0.000 1.103 300 F CA 1.204 59.283 58.000 0.130 0.000 1.248 300 F CB -0.051 39.008 39.000 0.098 0.000 0.999 300 F HN -0.017 nan 8.300 nan 0.000 0.475 301 L N -0.208 121.131 121.223 0.194 0.000 2.201 301 L HA -0.207 4.134 4.340 0.001 0.000 0.212 301 L C 2.340 179.191 176.870 -0.031 0.000 1.105 301 L CA 1.160 56.044 54.840 0.073 0.000 0.775 301 L CB -0.706 41.329 42.059 -0.039 0.000 0.913 301 L HN 0.254 nan 8.230 nan 0.000 0.440 302 Q N -0.862 118.895 119.800 -0.072 0.000 2.123 302 Q HA -0.132 4.209 4.340 0.001 0.000 0.199 302 Q C 2.172 178.057 176.000 -0.192 0.000 0.966 302 Q CA 1.779 57.523 55.803 -0.097 0.000 0.845 302 Q CB -0.072 28.616 28.738 -0.084 0.000 0.907 302 Q HN 0.437 nan 8.270 nan 0.000 0.439 303 T N -0.295 114.062 114.554 -0.330 0.000 2.812 303 T HA -0.110 4.241 4.350 0.001 0.000 0.264 303 T C -0.176 174.000 174.700 -0.873 0.000 1.042 303 T CA 0.869 62.563 62.100 -0.676 0.000 1.140 303 T CB -0.088 68.237 68.868 -0.905 0.000 0.870 303 T HN 0.311 nan 8.240 nan 0.000 0.445 304 W N 2.415 123.552 121.300 -0.271 0.000 2.296 304 W HA 0.465 5.125 4.660 0.001 0.000 0.333 304 W C 0.847 177.180 176.519 -0.311 0.000 0.931 304 W CA -1.048 56.105 57.345 -0.320 0.000 1.538 304 W CB 0.291 29.445 29.460 -0.509 0.000 1.417 304 W HN -0.006 nan 8.180 nan 0.000 0.380 305 K N 1.220 121.611 120.400 -0.014 0.000 2.360 305 K HA -0.153 4.168 4.320 0.001 0.000 0.201 305 K C 1.494 178.103 176.600 0.014 0.000 1.046 305 K CA 1.150 57.447 56.287 0.017 0.000 0.945 305 K CB -0.201 32.320 32.500 0.035 0.000 0.750 305 K HN 0.579 nan 8.250 nan 0.000 0.464 306 F N -0.336 119.533 119.950 -0.134 0.000 2.502 306 F HA 0.108 4.636 4.527 0.001 0.000 0.298 306 F C 0.410 176.087 175.800 -0.205 0.000 1.111 306 F CA -0.343 57.519 58.000 -0.230 0.000 1.445 306 F CB -0.461 38.307 39.000 -0.386 0.000 1.081 306 F HN -0.290 nan 8.300 nan 0.000 0.558 307 F N 2.514 122.103 119.950 -0.603 0.000 2.443 307 F HA 0.179 4.706 4.527 0.001 0.000 0.353 307 F C 1.072 176.849 175.800 -0.038 0.000 1.101 307 F CA -1.016 56.763 58.000 -0.368 0.000 1.226 307 F CB 0.325 39.071 39.000 -0.423 0.000 1.140 307 F HN 0.049 nan 8.300 nan 0.000 0.557 308 D N 2.051 122.606 120.400 0.258 0.000 2.358 308 D HA 0.314 4.954 4.640 0.001 0.000 0.224 308 D C 1.080 177.576 176.300 0.327 0.000 1.123 308 D CA 0.444 54.576 54.000 0.220 0.000 0.833 308 D CB 0.523 41.383 40.800 0.100 0.000 0.946 308 D HN 0.753 nan 8.370 nan 0.000 0.505 309 G N -0.197 108.795 108.800 0.321 0.000 2.439 309 G HA2 0.169 4.129 3.960 0.001 0.000 0.186 309 G HA3 0.169 4.129 3.960 0.001 0.000 0.186 309 G C -1.841 173.115 174.900 0.094 0.000 1.260 309 G CA -0.098 45.146 45.100 0.240 0.000 1.020 309 G HN 0.186 nan 8.290 nan 0.000 0.470 310 V N 0.327 120.293 119.914 0.087 0.000 2.969 310 V HA 0.696 4.817 4.120 0.001 0.000 0.304 310 V C -2.040 174.125 176.094 0.118 0.000 1.192 310 V CA -0.008 62.318 62.300 0.043 0.000 0.962 310 V CB 2.119 33.937 31.823 -0.010 0.000 1.045 310 V HN 1.177 nan 8.190 nan 0.000 0.428 311 D N 5.235 125.721 120.400 0.144 0.000 2.408 311 D HA 0.503 5.144 4.640 0.001 0.000 0.243 311 D C -0.830 175.625 176.300 0.257 0.000 1.075 311 D CA -0.446 53.692 54.000 0.231 0.000 0.832 311 D CB 1.299 42.260 40.800 0.269 0.000 1.162 311 D HN 0.422 nan 8.370 nan 0.000 0.515 312 I N 3.687 124.399 120.570 0.237 0.000 2.304 312 I HA 0.195 4.366 4.170 0.001 0.000 0.291 312 I C 0.054 176.309 176.117 0.231 0.000 1.018 312 I CA -0.246 61.181 61.300 0.212 0.000 1.260 312 I CB 1.318 39.349 38.000 0.052 0.000 1.390 312 I HN 0.547 nan 8.210 nan 0.000 0.475 313 D N 6.996 127.563 120.400 0.277 0.000 3.088 313 D HA 0.001 4.641 4.640 0.001 0.000 0.310 313 D C -0.363 176.036 176.300 0.165 0.000 1.351 313 D CA -0.421 53.735 54.000 0.260 0.000 0.921 313 D CB 0.334 41.353 40.800 0.366 0.000 1.045 313 D HN 0.411 nan 8.370 nan 0.000 0.504 314 W N 2.538 123.675 121.300 -0.272 0.000 2.666 314 W HA 0.163 4.824 4.660 0.001 0.000 0.365 314 W C 0.113 176.478 176.519 -0.256 0.000 1.224 314 W CA -0.756 56.302 57.345 -0.478 0.000 1.515 314 W CB -0.411 28.507 29.460 -0.902 0.000 1.562 314 W HN 0.110 nan 8.180 nan 0.000 0.455 315 E N 6.223 126.468 120.200 0.076 0.000 1.909 315 E HA 0.080 4.431 4.350 0.001 0.000 0.253 315 E C -0.564 175.785 176.600 -0.418 0.000 1.268 315 E CA 0.524 56.640 56.400 -0.473 0.000 0.999 315 E CB -1.163 28.215 29.700 -0.535 0.000 1.072 315 E HN 0.186 nan 8.360 nan 0.000 0.428 316 F N 0.602 120.549 119.950 -0.005 0.000 2.130 316 F HA -0.171 4.357 4.527 0.001 0.000 0.425 316 F C -2.247 173.342 175.800 -0.351 0.000 1.184 316 F CA -0.781 57.133 58.000 -0.143 0.000 1.394 316 F CB -1.396 37.620 39.000 0.026 0.000 2.171 316 F HN 0.377 nan 8.300 nan 0.000 0.741 317 P HA 0.493 nan 4.420 nan 0.000 0.280 317 P C 0.845 178.019 177.300 -0.209 0.000 1.244 317 P CA 1.357 63.848 63.100 -1.014 0.000 0.784 317 P CB 1.405 32.241 31.700 -1.440 0.000 0.913 318 G N 1.681 110.559 108.800 0.128 0.000 2.163 318 G HA2 0.151 4.112 3.960 0.001 0.000 0.213 318 G HA3 0.151 4.112 3.960 0.001 0.000 0.213 318 G C 0.464 175.424 174.900 0.100 0.000 0.991 318 G CA 0.146 45.297 45.100 0.086 0.000 0.653 318 G HN 0.995 nan 8.290 nan 0.000 0.518 319 G N -0.178 108.745 108.800 0.206 0.000 2.587 319 G HA2 0.326 4.286 3.960 0.001 0.000 0.212 319 G HA3 0.326 4.286 3.960 0.001 0.000 0.212 319 G C 0.454 175.441 174.900 0.145 0.000 1.327 319 G CA 0.471 45.588 45.100 0.029 0.000 0.898 319 G HN 1.503 nan 8.290 nan 0.000 0.551 320 K N -2.137 118.311 120.400 0.079 0.000 3.391 320 K HA -0.128 4.193 4.320 0.001 0.000 0.307 320 K C 1.109 177.892 176.600 0.305 0.000 1.304 320 K CA 2.518 58.892 56.287 0.145 0.000 0.904 320 K CB -2.020 30.542 32.500 0.104 0.000 1.293 320 K HN 1.927 nan 8.250 nan 0.000 0.470 321 G N -0.253 108.652 108.800 0.175 0.000 2.773 321 G HA2 0.566 4.527 3.960 0.001 0.000 0.186 321 G HA3 0.566 4.527 3.960 0.001 0.000 0.186 321 G C 1.173 175.732 174.900 -0.567 0.000 1.411 321 G CA 0.176 45.208 45.100 -0.114 0.000 1.054 321 G HN 0.161 nan 8.290 nan 0.000 0.579 322 A N -0.688 121.387 122.820 -1.242 0.000 1.898 322 A HA 0.036 4.357 4.320 0.001 0.000 0.216 322 A C 1.458 178.847 177.584 -0.324 0.000 1.181 322 A CA 0.995 52.473 52.037 -0.932 0.000 0.620 322 A CB -0.465 17.807 19.000 -1.213 0.000 0.819 322 A HN 0.441 nan 8.150 nan 0.000 0.442 323 N N 0.487 119.021 118.700 -0.277 0.000 2.408 323 N HA 0.182 4.923 4.740 0.001 0.000 0.257 323 N C -2.000 173.414 175.510 -0.159 0.000 1.064 323 N CA -1.710 51.239 53.050 -0.168 0.000 0.952 323 N CB 1.455 39.854 38.487 -0.147 0.000 1.093 323 N HN 0.131 nan 8.380 nan 0.000 0.490 324 P HA 0.045 nan 4.420 nan 0.000 0.241 324 P C -0.108 177.127 177.300 -0.108 0.000 1.191 324 P CA 0.574 63.625 63.100 -0.081 0.000 0.771 324 P CB 0.566 32.246 31.700 -0.032 0.000 0.929 325 N N -0.249 118.372 118.700 -0.131 0.000 2.230 325 N HA 0.180 4.920 4.740 0.001 0.000 0.202 325 N C 0.394 175.774 175.510 -0.216 0.000 1.119 325 N CA 0.199 53.169 53.050 -0.133 0.000 0.851 325 N CB 0.768 39.204 38.487 -0.086 0.000 0.990 325 N HN 0.279 nan 8.380 nan 0.000 0.497 326 L N -0.418 120.590 121.223 -0.357 0.000 2.341 326 L HA 0.753 5.094 4.340 0.001 0.000 0.267 326 L C 0.282 176.707 176.870 -0.742 0.000 1.009 326 L CA -0.838 53.624 54.840 -0.630 0.000 0.819 326 L CB 2.222 43.702 42.059 -0.965 0.000 1.323 326 L HN 0.054 nan 8.230 nan 0.000 0.425 327 G N 0.947 109.360 108.800 -0.645 0.000 2.653 327 G HA2 0.302 4.263 3.960 0.001 0.000 0.656 327 G HA3 0.302 4.263 3.960 0.001 0.000 0.656 327 G C -1.057 173.809 174.900 -0.057 0.000 1.419 327 G CA -0.231 44.724 45.100 -0.241 0.000 0.862 327 G HN 0.911 nan 8.290 nan 0.000 0.639 328 S N 1.388 117.127 115.700 0.066 0.000 2.588 328 S HA 0.832 5.302 4.470 0.001 0.000 0.269 328 S C -2.510 172.115 174.600 0.042 0.000 1.157 328 S CA -0.855 57.365 58.200 0.034 0.000 0.824 328 S CB 2.416 65.637 63.200 0.034 0.000 1.126 328 S HN 0.338 nan 8.310 nan 0.000 0.464 329 P HA -0.024 nan 4.420 nan 0.000 0.225 329 P C 1.283 178.589 177.300 0.010 0.000 1.148 329 P CA 0.813 63.913 63.100 -0.000 0.000 0.779 329 P CB 0.100 31.796 31.700 -0.007 0.000 0.780 330 Q N -0.193 119.629 119.800 0.037 0.000 2.297 330 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 330 Q C 1.082 177.136 176.000 0.090 0.000 0.962 330 Q CA 1.001 56.837 55.803 0.055 0.000 0.879 330 Q CB -0.259 28.517 28.738 0.063 0.000 0.947 330 Q HN 0.194 nan 8.270 nan 0.000 0.462 331 D N -0.065 120.405 120.400 0.116 0.000 2.123 331 D HA -0.158 4.483 4.640 0.001 0.000 0.196 331 D C 1.676 177.960 176.300 -0.025 0.000 0.992 331 D CA 1.461 55.547 54.000 0.143 0.000 0.833 331 D CB -0.593 40.260 40.800 0.087 0.000 0.954 331 D HN 0.471 nan 8.370 nan 0.000 0.455 332 G N 0.682 109.420 108.800 -0.103 0.000 2.476 332 G HA2 -0.333 3.627 3.960 0.001 0.000 0.218 332 G HA3 -0.333 3.627 3.960 0.001 0.000 0.218 332 G C 1.489 176.356 174.900 -0.054 0.000 1.164 332 G CA 0.981 45.982 45.100 -0.166 0.000 0.768 332 G HN 0.352 nan 8.290 nan 0.000 0.560 333 E N -0.327 119.872 120.200 -0.001 0.000 2.077 333 E HA -0.117 4.234 4.350 0.001 0.000 0.193 333 E C 2.606 179.259 176.600 0.089 0.000 0.989 333 E CA 1.416 57.836 56.400 0.033 0.000 0.800 333 E CB -0.113 29.604 29.700 0.028 0.000 0.746 333 E HN 0.377 nan 8.360 nan 0.000 0.452 334 T N 0.124 114.762 114.554 0.141 0.000 2.720 334 T HA -0.214 4.136 4.350 0.001 0.000 0.268 334 T C 1.439 176.292 174.700 0.254 0.000 1.037 334 T CA 1.500 63.720 62.100 0.201 0.000 1.144 334 T CB -0.546 68.498 68.868 0.293 0.000 0.864 334 T HN 0.345 nan 8.240 nan 0.000 0.444 335 Y N 1.930 122.322 120.300 0.154 0.000 2.097 335 Y HA -0.199 4.352 4.550 0.001 0.000 0.282 335 Y C 2.335 178.256 175.900 0.035 0.000 1.152 335 Y CA 1.016 59.180 58.100 0.108 0.000 1.136 335 Y CB -0.693 37.686 38.460 -0.134 0.000 0.975 335 Y HN -0.022 nan 8.280 nan 0.000 0.498 336 V N 0.500 120.566 119.914 0.252 0.000 2.392 336 V HA -0.329 3.791 4.120 0.001 0.000 0.249 336 V C 2.471 178.600 176.094 0.058 0.000 1.059 336 V CA 1.985 64.369 62.300 0.141 0.000 1.051 336 V CB -0.783 31.091 31.823 0.085 0.000 0.658 336 V HN 0.459 nan 8.190 nan 0.000 0.455 337 L N -1.044 120.216 121.223 0.062 0.000 2.027 337 L HA -0.163 4.178 4.340 0.001 0.000 0.206 337 L C 2.444 179.333 176.870 0.031 0.000 1.074 337 L CA 1.200 56.067 54.840 0.045 0.000 0.745 337 L CB -0.529 41.563 42.059 0.055 0.000 0.898 337 L HN 0.331 nan 8.230 nan 0.000 0.433 338 L N -0.469 120.768 121.223 0.024 0.000 1.989 338 L HA -0.254 4.086 4.340 0.001 0.000 0.211 338 L C 2.558 179.413 176.870 -0.024 0.000 1.071 338 L CA 1.939 56.788 54.840 0.015 0.000 0.749 338 L CB -0.440 41.612 42.059 -0.011 0.000 0.890 338 L HN 0.166 nan 8.230 nan 0.000 0.431 339 M N -0.787 118.742 119.600 -0.118 0.000 2.108 339 M HA -0.243 4.238 4.480 0.001 0.000 0.261 339 M C 2.333 178.622 176.300 -0.019 0.000 1.066 339 M CA 1.627 56.870 55.300 -0.095 0.000 1.107 339 M CB -1.189 31.337 32.600 -0.124 0.000 1.356 339 M HN 0.271 nan 8.290 nan 0.000 0.406 340 K N 0.392 120.790 120.400 -0.002 0.000 2.026 340 K HA -0.178 4.142 4.320 0.001 0.000 0.208 340 K C 1.934 178.542 176.600 0.014 0.000 1.048 340 K CA 1.610 57.904 56.287 0.012 0.000 0.929 340 K CB 0.002 32.513 32.500 0.019 0.000 0.713 340 K HN 0.354 nan 8.250 nan 0.000 0.439 341 E N 0.414 120.626 120.200 0.019 0.000 2.106 341 E HA -0.159 4.192 4.350 0.001 0.000 0.192 341 E C 1.976 178.583 176.600 0.012 0.000 0.984 341 E CA 0.893 57.305 56.400 0.021 0.000 0.806 341 E CB 0.033 29.754 29.700 0.036 0.000 0.750 341 E HN 0.220 nan 8.360 nan 0.000 0.458 342 L N 0.372 121.603 121.223 0.015 0.000 2.046 342 L HA -0.173 4.168 4.340 0.001 0.000 0.208 342 L C 2.597 179.462 176.870 -0.008 0.000 1.077 342 L CA 0.908 55.747 54.840 -0.002 0.000 0.747 342 L CB -0.229 41.838 42.059 0.014 0.000 0.896 342 L HN 0.039 nan 8.230 nan 0.000 0.432 343 R N 0.635 121.138 120.500 0.005 0.000 2.096 343 R HA -0.138 4.203 4.340 0.001 0.000 0.235 343 R C 2.165 178.471 176.300 0.010 0.000 1.127 343 R CA 1.724 57.832 56.100 0.013 0.000 0.968 343 R CB -0.639 29.671 30.300 0.017 0.000 0.861 343 R HN 0.333 nan 8.270 nan 0.000 0.440 344 A N 0.680 123.503 122.820 0.006 0.000 1.873 344 A HA -0.151 4.169 4.320 0.001 0.000 0.215 344 A C 2.198 179.777 177.584 -0.007 0.000 1.186 344 A CA 1.649 53.688 52.037 0.004 0.000 0.616 344 A CB -0.667 18.336 19.000 0.005 0.000 0.823 344 A HN 0.467 nan 8.150 nan 0.000 0.442 345 M N 0.056 119.642 119.600 -0.022 0.000 2.080 345 M HA -0.138 4.343 4.480 0.001 0.000 0.260 345 M C 1.982 178.238 176.300 -0.073 0.000 1.068 345 M CA 1.879 57.150 55.300 -0.048 0.000 1.109 345 M CB -0.933 31.628 32.600 -0.066 0.000 1.342 345 M HN 0.420 nan 8.290 nan 0.000 0.405 346 L N 0.079 121.259 121.223 -0.072 0.000 2.083 346 L HA -0.253 4.087 4.340 0.001 0.000 0.209 346 L C 2.195 179.068 176.870 0.005 0.000 1.083 346 L CA 1.329 56.110 54.840 -0.097 0.000 0.752 346 L CB -0.990 41.058 42.059 -0.018 0.000 0.899 346 L HN 0.286 nan 8.230 nan 0.000 0.433 347 D N -0.465 119.953 120.400 0.031 0.000 2.117 347 D HA -0.223 4.418 4.640 0.001 0.000 0.197 347 D C 2.146 178.471 176.300 0.041 0.000 0.987 347 D CA 1.126 55.158 54.000 0.054 0.000 0.829 347 D CB -0.038 40.784 40.800 0.037 0.000 0.961 347 D HN 0.231 nan 8.370 nan 0.000 0.460 348 Q N 0.697 120.503 119.800 0.010 0.000 2.096 348 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 348 Q C 2.075 178.079 176.000 0.006 0.000 0.982 348 Q CA 0.955 56.760 55.803 0.003 0.000 0.850 348 Q CB -0.611 28.118 28.738 -0.014 0.000 0.901 348 Q HN 0.230 nan 8.270 nan 0.000 0.422 349 L N -0.140 121.067 121.223 -0.026 0.000 2.046 349 L HA -0.103 4.237 4.340 0.001 0.000 0.208 349 L C 2.149 179.093 176.870 0.123 0.000 1.077 349 L CA 2.054 56.872 54.840 -0.037 0.000 0.747 349 L CB -0.861 41.036 42.059 -0.270 0.000 0.896 349 L HN 0.162 nan 8.230 nan 0.000 0.432 350 S N -0.227 115.603 115.700 0.217 0.000 2.383 350 S HA -0.195 4.276 4.470 0.001 0.000 0.229 350 S C 2.069 176.745 174.600 0.128 0.000 1.030 350 S CA 1.129 59.486 58.200 0.263 0.000 1.002 350 S CB -0.641 62.685 63.200 0.210 0.000 0.829 350 S HN 0.644 nan 8.310 nan 0.000 0.467 351 A N 1.240 124.110 122.820 0.083 0.000 2.070 351 A HA -0.121 4.199 4.320 0.001 0.000 0.220 351 A C 1.900 179.512 177.584 0.046 0.000 1.159 351 A CA 1.290 53.358 52.037 0.052 0.000 0.656 351 A CB -0.338 18.683 19.000 0.035 0.000 0.800 351 A HN 0.611 nan 8.150 nan 0.000 0.453 352 E N -1.250 118.983 120.200 0.055 0.000 2.340 352 E HA -0.032 4.319 4.350 0.001 0.000 0.194 352 E C 1.762 178.396 176.600 0.056 0.000 0.996 352 E CA 1.118 57.544 56.400 0.043 0.000 0.869 352 E CB 0.096 29.814 29.700 0.029 0.000 0.835 352 E HN 0.768 nan 8.360 nan 0.000 0.493 353 T N -4.051 110.558 114.554 0.092 0.000 2.955 353 T HA 0.315 4.665 4.350 0.001 0.000 0.251 353 T C 1.658 176.394 174.700 0.060 0.000 1.002 353 T CA 0.407 62.562 62.100 0.091 0.000 0.970 353 T CB 0.870 69.836 68.868 0.164 0.000 1.091 353 T HN 0.210 nan 8.240 nan 0.000 0.495 354 G N 1.999 110.835 108.800 0.059 0.000 2.179 354 G HA2 -0.265 3.696 3.960 0.001 0.000 0.260 354 G HA3 -0.265 3.696 3.960 0.001 0.000 0.260 354 G C 0.245 175.131 174.900 -0.024 0.000 0.977 354 G CA 0.149 45.261 45.100 0.021 0.000 0.641 354 G HN 0.724 nan 8.290 nan 0.000 0.533 355 R N -0.056 120.406 120.500 -0.063 0.000 2.546 355 R HA 0.616 4.956 4.340 0.001 0.000 0.266 355 R C -0.080 175.996 176.300 -0.373 0.000 1.086 355 R CA -0.468 55.479 56.100 -0.255 0.000 1.160 355 R CB 0.493 30.543 30.300 -0.417 0.000 1.138 355 R HN -0.025 nan 8.270 nan 0.000 0.567 356 K N 1.849 121.988 120.400 -0.434 0.000 2.244 356 K HA 0.300 4.621 4.320 0.001 0.000 0.260 356 K C -1.150 175.183 176.600 -0.446 0.000 0.951 356 K CA -0.434 55.677 56.287 -0.293 0.000 0.826 356 K CB 1.424 33.850 32.500 -0.124 0.000 1.108 356 K HN 0.443 nan 8.250 nan 0.000 0.433 357 Y N 0.522 120.842 120.300 0.032 0.000 2.393 357 Y HA 0.280 4.830 4.550 0.001 0.000 0.341 357 Y C 0.699 176.630 175.900 0.052 0.000 0.988 357 Y CA -0.755 57.371 58.100 0.043 0.000 1.078 357 Y CB 1.728 40.210 38.460 0.037 0.000 1.203 357 Y HN 0.397 nan 8.280 nan 0.000 0.453 358 E N 2.532 122.863 120.200 0.218 0.000 2.277 358 E HA 0.438 4.789 4.350 0.001 0.000 0.274 358 E C -1.477 175.228 176.600 0.174 0.000 1.022 358 E CA -0.995 55.515 56.400 0.183 0.000 0.853 358 E CB 2.148 31.993 29.700 0.242 0.000 1.086 358 E HN 0.374 nan 8.360 nan 0.000 0.397 359 L N 2.329 123.626 121.223 0.124 0.000 2.372 359 L HA 0.339 4.680 4.340 0.001 0.000 0.273 359 L C -0.576 176.350 176.870 0.092 0.000 0.989 359 L CA -0.023 54.877 54.840 0.101 0.000 0.841 359 L CB 1.488 43.584 42.059 0.062 0.000 1.225 359 L HN 0.650 nan 8.230 nan 0.000 0.414 360 T N 0.755 115.394 114.554 0.141 0.000 2.858 360 T HA 0.888 5.239 4.350 0.001 0.000 0.285 360 T C -0.544 174.266 174.700 0.183 0.000 1.052 360 T CA -0.636 61.537 62.100 0.122 0.000 1.009 360 T CB 1.743 70.721 68.868 0.184 0.000 1.241 360 T HN 0.668 nan 8.240 nan 0.000 0.542 361 S N -0.831 114.988 115.700 0.198 0.000 2.535 361 S HA 0.668 5.139 4.470 0.001 0.000 0.272 361 S C -1.407 173.383 174.600 0.317 0.000 1.149 361 S CA -0.433 57.934 58.200 0.278 0.000 0.888 361 S CB 1.087 64.462 63.200 0.291 0.000 1.110 361 S HN 1.391 nan 8.310 nan 0.000 0.463 362 A N 3.880 126.911 122.820 0.351 0.000 2.292 362 A HA 0.830 5.150 4.320 0.001 0.000 0.319 362 A C -0.069 177.659 177.584 0.240 0.000 1.206 362 A CA -0.723 51.502 52.037 0.314 0.000 0.835 362 A CB -0.053 19.154 19.000 0.345 0.000 1.164 362 A HN 1.201 nan 8.150 nan 0.000 0.505 363 I N -0.451 120.225 120.570 0.176 0.000 3.145 363 I HA 0.723 4.894 4.170 0.001 0.000 0.313 363 I C 0.036 176.235 176.117 0.138 0.000 1.122 363 I CA -0.815 60.573 61.300 0.147 0.000 0.987 363 I CB 1.925 39.931 38.000 0.010 0.000 1.236 363 I HN 0.460 nan 8.210 nan 0.000 0.453 364 S N 1.332 117.137 115.700 0.176 0.000 2.572 364 S HA 0.496 4.966 4.470 0.001 0.000 0.279 364 S C 0.869 175.409 174.600 -0.100 0.000 1.341 364 S CA 0.209 58.423 58.200 0.025 0.000 1.043 364 S CB 1.207 64.257 63.200 -0.249 0.000 0.887 364 S HN 0.849 nan 8.310 nan 0.000 0.516 365 A N 3.782 126.516 122.820 -0.143 0.000 2.238 365 A HA 0.415 4.735 4.320 0.001 0.000 0.210 365 A C 1.119 178.579 177.584 -0.207 0.000 1.179 365 A CA 0.329 52.316 52.037 -0.083 0.000 0.827 365 A CB -0.649 18.408 19.000 0.095 0.000 0.856 365 A HN 0.949 nan 8.150 nan 0.000 0.488 366 G N -0.238 108.299 108.800 -0.438 0.000 2.406 366 G HA2 0.284 4.245 3.960 0.001 0.000 0.251 366 G HA3 0.284 4.245 3.960 0.001 0.000 0.251 366 G C 0.661 175.416 174.900 -0.241 0.000 1.271 366 G CA 0.025 44.743 45.100 -0.637 0.000 0.859 366 G HN 0.402 nan 8.290 nan 0.000 0.540 367 K N 1.270 121.587 120.400 -0.139 0.000 2.097 367 K HA -0.152 4.169 4.320 0.001 0.000 0.206 367 K C 2.079 178.660 176.600 -0.032 0.000 1.049 367 K CA 1.784 58.035 56.287 -0.061 0.000 0.933 367 K CB 0.011 32.490 32.500 -0.036 0.000 0.717 367 K HN 0.673 nan 8.250 nan 0.000 0.442 368 D N 0.759 121.160 120.400 0.002 0.000 2.182 368 D HA -0.223 4.418 4.640 0.001 0.000 0.201 368 D C 1.235 177.513 176.300 -0.037 0.000 0.986 368 D CA 1.484 55.485 54.000 0.001 0.000 0.847 368 D CB -0.106 40.719 40.800 0.042 0.000 0.942 368 D HN 0.306 nan 8.370 nan 0.000 0.467 369 K N -0.161 120.197 120.400 -0.070 0.000 2.202 369 K HA 0.205 4.525 4.320 0.001 0.000 0.201 369 K C 2.498 179.060 176.600 -0.064 0.000 1.051 369 K CA 0.120 56.347 56.287 -0.100 0.000 0.977 369 K CB 0.271 32.658 32.500 -0.188 0.000 0.792 369 K HN 0.123 nan 8.250 nan 0.000 0.469 370 I N 1.990 122.546 120.570 -0.023 0.000 2.264 370 I HA -0.271 3.900 4.170 0.001 0.000 0.248 370 I C 1.243 177.396 176.117 0.060 0.000 1.111 370 I CA 1.210 62.572 61.300 0.102 0.000 1.382 370 I CB -0.223 37.800 38.000 0.038 0.000 1.060 370 I HN 0.141 nan 8.210 nan 0.000 0.418 371 D N 0.887 121.279 120.400 -0.013 0.000 2.348 371 D HA -0.086 4.555 4.640 0.001 0.000 0.216 371 D C 1.694 177.940 176.300 -0.090 0.000 0.970 371 D CA 0.765 54.741 54.000 -0.039 0.000 0.889 371 D CB -0.035 40.746 40.800 -0.031 0.000 0.912 371 D HN 0.358 nan 8.370 nan 0.000 0.524 372 K N 0.117 120.442 120.400 -0.124 0.000 2.487 372 K HA 0.103 4.424 4.320 0.001 0.000 0.192 372 K C 0.011 176.450 176.600 -0.268 0.000 1.027 372 K CA 0.137 56.327 56.287 -0.163 0.000 1.054 372 K CB 1.015 33.423 32.500 -0.153 0.000 0.824 372 K HN -0.083 nan 8.250 nan 0.000 0.510 373 V N 0.337 120.032 119.914 -0.365 0.000 2.841 373 V HA 0.352 4.473 4.120 0.001 0.000 0.310 373 V C -0.725 175.064 176.094 -0.508 0.000 1.090 373 V CA -1.243 60.692 62.300 -0.609 0.000 0.930 373 V CB 1.816 32.870 31.823 -1.282 0.000 1.014 373 V HN 0.007 nan 8.190 nan 0.000 0.425 374 A N 2.527 125.120 122.820 -0.377 0.000 3.078 374 A HA 0.402 4.722 4.320 0.001 0.000 0.279 374 A C 0.450 177.936 177.584 -0.164 0.000 1.594 374 A CA -0.116 51.806 52.037 -0.192 0.000 1.301 374 A CB -0.681 18.259 19.000 -0.100 0.000 1.162 374 A HN 0.825 nan 8.150 nan 0.000 0.585 375 Y N 1.417 121.679 120.300 -0.063 0.000 2.274 375 Y HA -0.266 4.285 4.550 0.001 0.000 0.290 375 Y C 2.418 178.314 175.900 -0.006 0.000 1.145 375 Y CA 1.861 59.940 58.100 -0.035 0.000 1.203 375 Y CB -0.258 38.164 38.460 -0.063 0.000 0.984 375 Y HN 0.787 nan 8.280 nan 0.000 0.533 376 N N -0.234 118.541 118.700 0.125 0.000 2.348 376 N HA -0.127 4.614 4.740 0.001 0.000 0.185 376 N C 1.455 176.998 175.510 0.056 0.000 1.019 376 N CA 1.670 54.764 53.050 0.074 0.000 0.880 376 N CB -0.680 37.832 38.487 0.043 0.000 0.965 376 N HN 0.308 nan 8.380 nan 0.000 0.437 377 V N 0.656 120.601 119.914 0.051 0.000 2.672 377 V HA 0.173 4.294 4.120 0.001 0.000 0.242 377 V C 2.710 178.842 176.094 0.064 0.000 1.059 377 V CA 0.969 63.294 62.300 0.042 0.000 1.081 377 V CB -0.533 31.304 31.823 0.023 0.000 0.752 377 V HN 0.375 nan 8.190 nan 0.000 0.472 378 A N 1.081 123.960 122.820 0.099 0.000 1.972 378 A HA -0.285 4.036 4.320 0.001 0.000 0.219 378 A C 2.216 179.881 177.584 0.136 0.000 1.169 378 A CA 1.951 54.077 52.037 0.149 0.000 0.635 378 A CB -0.582 18.592 19.000 0.290 0.000 0.810 378 A HN 0.751 nan 8.150 nan 0.000 0.446 379 Q N -0.234 119.645 119.800 0.133 0.000 2.308 379 Q HA -0.208 4.133 4.340 0.001 0.000 0.209 379 Q C 0.990 177.011 176.000 0.035 0.000 0.985 379 Q CA 1.649 57.499 55.803 0.079 0.000 0.881 379 Q CB -0.543 28.229 28.738 0.058 0.000 0.917 379 Q HN 0.583 nan 8.270 nan 0.000 0.443 380 N N 0.059 118.781 118.700 0.037 0.000 2.550 380 N HA -0.007 4.733 4.740 0.001 0.000 0.186 380 N C 0.643 176.162 175.510 0.015 0.000 1.110 380 N CA 1.050 54.111 53.050 0.018 0.000 0.912 380 N CB 0.337 38.836 38.487 0.020 0.000 0.968 380 N HN 0.301 nan 8.380 nan 0.000 0.448 381 S N -0.273 115.442 115.700 0.024 0.000 2.520 381 S HA 0.286 4.756 4.470 0.001 0.000 0.219 381 S C 0.739 175.347 174.600 0.013 0.000 1.028 381 S CA -0.164 58.047 58.200 0.019 0.000 0.921 381 S CB 0.865 64.079 63.200 0.023 0.000 0.844 381 S HN 0.141 nan 8.310 nan 0.000 0.495 382 M N 1.401 121.007 119.600 0.011 0.000 2.367 382 M HA 0.340 4.821 4.480 0.001 0.000 0.339 382 M C 0.023 176.275 176.300 -0.081 0.000 1.177 382 M CA -0.220 55.075 55.300 -0.009 0.000 1.068 382 M CB 1.032 33.646 32.600 0.023 0.000 1.602 382 M HN -0.121 nan 8.290 nan 0.000 0.457 383 D N -0.612 119.709 120.400 -0.131 0.000 2.216 383 D HA 0.049 4.689 4.640 0.001 0.000 0.208 383 D C -0.181 175.710 176.300 -0.682 0.000 0.960 383 D CA 1.184 54.982 54.000 -0.336 0.000 0.861 383 D CB 0.407 41.059 40.800 -0.246 0.000 0.985 383 D HN 0.389 nan 8.370 nan 0.000 0.493 384 H N -0.946 118.007 119.070 -0.196 0.000 3.012 384 H HA 0.464 5.021 4.556 0.001 0.000 0.367 384 H C -0.850 174.199 175.328 -0.464 0.000 1.211 384 H CA -0.689 55.116 56.048 -0.405 0.000 1.139 384 H CB 1.716 31.047 29.762 -0.720 0.000 1.838 384 H HN -0.157 nan 8.280 nan 0.000 0.550 385 I N 2.570 122.940 120.570 -0.333 0.000 2.411 385 I HA 0.136 4.307 4.170 0.001 0.000 0.284 385 I C -0.756 175.170 176.117 -0.319 0.000 1.012 385 I CA -0.525 60.617 61.300 -0.263 0.000 1.119 385 I CB 0.818 38.715 38.000 -0.170 0.000 1.261 385 I HN 0.236 nan 8.210 nan 0.000 0.448 386 F N 6.676 126.554 119.950 -0.120 0.000 2.405 386 F HA 0.231 4.759 4.527 0.001 0.000 0.358 386 F C 0.224 176.030 175.800 0.009 0.000 1.151 386 F CA -0.563 57.231 58.000 -0.343 0.000 1.161 386 F CB 0.547 38.987 39.000 -0.933 0.000 1.245 386 F HN 0.312 nan 8.300 nan 0.000 0.545 387 L N 5.262 126.726 121.223 0.400 0.000 2.385 387 L HA 0.226 4.567 4.340 0.001 0.000 0.281 387 L C 0.340 177.400 176.870 0.317 0.000 1.106 387 L CA 0.217 55.214 54.840 0.262 0.000 0.856 387 L CB 0.248 42.404 42.059 0.161 0.000 1.186 387 L HN 0.544 nan 8.230 nan 0.000 0.453 388 M N 4.492 124.133 119.600 0.068 0.000 3.705 388 M HA 0.046 4.527 4.480 0.001 0.000 0.191 388 M C 0.775 176.569 176.300 -0.843 0.000 1.570 388 M CA 0.114 55.112 55.300 -0.504 0.000 1.714 388 M CB -0.634 31.717 32.600 -0.414 0.000 1.148 388 M HN 0.740 nan 8.290 nan 0.000 0.547 389 S N 1.223 116.610 115.700 -0.522 0.000 4.053 389 S HA 0.218 4.689 4.470 0.001 0.000 0.184 389 S C -0.537 173.677 174.600 -0.645 0.000 1.324 389 S CA -0.459 57.511 58.200 -0.383 0.000 0.956 389 S CB -1.116 62.112 63.200 0.045 0.000 1.503 389 S HN 0.568 nan 8.310 nan 0.000 0.440 390 Y N -3.251 116.554 120.300 -0.826 0.000 2.750 390 Y HA 0.569 5.120 4.550 0.001 0.000 0.335 390 Y C -0.307 175.291 175.900 -0.503 0.000 1.252 390 Y CA -1.690 56.037 58.100 -0.622 0.000 1.064 390 Y CB -0.180 38.168 38.460 -0.186 0.000 1.321 390 Y HN 0.139 nan 8.280 nan 0.000 0.451 391 D N -0.306 120.196 120.400 0.171 0.000 3.012 391 D HA -0.193 4.448 4.640 0.001 0.000 0.222 391 D C 0.436 176.956 176.300 0.366 0.000 1.167 391 D CA 1.172 55.362 54.000 0.315 0.000 0.854 391 D CB -1.192 39.778 40.800 0.282 0.000 1.107 391 D HN 0.537 nan 8.370 nan 0.000 0.421 392 F N -0.615 119.581 119.950 0.410 0.000 2.269 392 F HA -0.004 4.523 4.527 0.001 0.000 0.301 392 F C 1.034 176.949 175.800 0.191 0.000 1.082 392 F CA 1.004 59.236 58.000 0.388 0.000 1.360 392 F CB -0.152 39.093 39.000 0.408 0.000 1.041 392 F HN 0.073 nan 8.300 nan 0.000 0.512 393 Y N -1.734 118.926 120.300 0.601 0.000 2.615 393 Y HA 0.654 5.204 4.550 0.001 0.000 0.341 393 Y C 0.423 176.374 175.900 0.085 0.000 1.089 393 Y CA -1.201 57.151 58.100 0.420 0.000 1.049 393 Y CB 1.840 40.585 38.460 0.475 0.000 1.296 393 Y HN -0.155 nan 8.280 nan 0.000 0.470 394 G N -0.615 107.999 108.800 -0.310 0.000 2.349 394 G HA2 0.439 4.400 3.960 0.001 0.000 0.294 394 G HA3 0.439 4.400 3.960 0.001 0.000 0.294 394 G C -0.396 174.079 174.900 -0.708 0.000 1.380 394 G CA -0.248 44.367 45.100 -0.809 0.000 0.811 394 G HN 0.867 nan 8.290 nan 0.000 0.519 395 A N -0.553 121.899 122.820 -0.613 0.000 2.225 395 A HA 0.192 4.513 4.320 0.001 0.000 0.215 395 A C 1.771 179.376 177.584 0.034 0.000 1.164 395 A CA 2.013 53.950 52.037 -0.167 0.000 0.710 395 A CB -0.970 17.948 19.000 -0.137 0.000 0.780 395 A HN 1.383 nan 8.150 nan 0.000 0.473 396 F N -1.217 118.842 119.950 0.183 0.000 2.771 396 F HA 0.292 4.819 4.527 0.001 0.000 0.299 396 F C 0.188 176.100 175.800 0.188 0.000 1.177 396 F CA -0.362 57.731 58.000 0.155 0.000 1.450 396 F CB -0.210 38.853 39.000 0.105 0.000 1.114 396 F HN 0.132 nan 8.300 nan 0.000 0.587 397 D N 0.836 121.324 120.400 0.146 0.000 2.470 397 D HA 0.221 4.862 4.640 0.001 0.000 0.233 397 D C 0.108 176.501 176.300 0.156 0.000 1.372 397 D CA -0.294 53.817 54.000 0.184 0.000 0.994 397 D CB 0.976 41.892 40.800 0.194 0.000 1.377 397 D HN 0.195 nan 8.370 nan 0.000 0.586 398 L N 2.554 123.844 121.223 0.111 0.000 2.591 398 L HA 0.198 4.539 4.340 0.001 0.000 0.228 398 L C 1.931 178.753 176.870 -0.080 0.000 1.133 398 L CA 0.259 55.120 54.840 0.035 0.000 0.880 398 L CB 0.223 42.329 42.059 0.078 0.000 1.033 398 L HN 0.132 nan 8.230 nan 0.000 0.450 399 K N -0.350 120.022 120.400 -0.047 0.000 2.287 399 K HA 0.147 4.468 4.320 0.001 0.000 0.199 399 K C 0.266 176.813 176.600 -0.088 0.000 1.061 399 K CA 0.199 56.447 56.287 -0.064 0.000 0.976 399 K CB 0.496 32.985 32.500 -0.017 0.000 0.898 399 K HN 0.173 nan 8.250 nan 0.000 0.492 400 N N 2.036 120.712 118.700 -0.040 0.000 2.501 400 N HA 0.250 4.991 4.740 0.001 0.000 0.245 400 N C -0.807 174.714 175.510 0.018 0.000 0.974 400 N CA -0.076 52.981 53.050 0.013 0.000 0.941 400 N CB 1.416 39.966 38.487 0.105 0.000 1.122 400 N HN 0.011 nan 8.380 nan 0.000 0.507 401 L N 0.674 121.771 121.223 -0.210 0.000 2.352 401 L HA 0.862 5.202 4.340 0.001 0.000 0.269 401 L C 1.034 177.606 176.870 -0.497 0.000 1.034 401 L CA -0.817 53.754 54.840 -0.450 0.000 0.806 401 L CB 1.671 43.221 42.059 -0.850 0.000 1.244 401 L HN 0.482 nan 8.230 nan 0.000 0.447 402 G N -1.200 107.177 108.800 -0.706 0.000 2.342 402 G HA2 0.222 4.183 3.960 0.001 0.000 0.297 402 G HA3 0.222 4.183 3.960 0.001 0.000 0.297 402 G C -1.578 172.726 174.900 -0.994 0.000 1.313 402 G CA -0.784 43.432 45.100 -1.474 0.000 0.830 402 G HN 0.475 nan 8.290 nan 0.000 0.506 403 H N 1.055 119.668 119.070 -0.761 0.000 2.819 403 H HA 0.134 4.691 4.556 0.001 0.000 0.303 403 H C 1.514 177.007 175.328 0.274 0.000 1.058 403 H CA 0.688 56.595 56.048 -0.236 0.000 1.471 403 H CB 1.736 31.354 29.762 -0.241 0.000 1.480 403 H HN 0.742 nan 8.280 nan 0.000 0.517 404 Q N 1.623 121.707 119.800 0.473 0.000 2.364 404 Q HA -0.069 4.272 4.340 0.001 0.000 0.207 404 Q C 0.858 177.090 176.000 0.387 0.000 0.970 404 Q CA 1.558 57.666 55.803 0.508 0.000 0.888 404 Q CB 0.532 29.465 28.738 0.324 0.000 0.951 404 Q HN 0.485 nan 8.270 nan 0.000 0.469 405 T N -1.032 113.725 114.554 0.339 0.000 3.769 405 T HA 0.524 4.875 4.350 0.001 0.000 0.317 405 T C -0.180 174.660 174.700 0.235 0.000 0.931 405 T CA 0.065 62.303 62.100 0.231 0.000 1.005 405 T CB -0.073 68.834 68.868 0.064 0.000 1.202 405 T HN 0.456 nan 8.240 nan 0.000 0.501 406 A N 0.754 123.722 122.820 0.247 0.000 2.409 406 A HA 0.567 4.887 4.320 0.001 0.000 0.246 406 A C 1.285 178.890 177.584 0.035 0.000 1.099 406 A CA -0.137 51.903 52.037 0.005 0.000 0.789 406 A CB 0.062 19.000 19.000 -0.104 0.000 1.053 406 A HN 0.498 nan 8.150 nan 0.000 0.503 407 L N -0.216 120.948 121.223 -0.098 0.000 2.253 407 L HA 0.232 4.573 4.340 0.001 0.000 0.205 407 L C 0.449 177.198 176.870 -0.201 0.000 1.078 407 L CA 1.120 55.874 54.840 -0.143 0.000 0.805 407 L CB -0.326 41.617 42.059 -0.192 0.000 0.963 407 L HN 0.747 nan 8.230 nan 0.000 0.459 408 N N -0.946 117.633 118.700 -0.201 0.000 2.761 408 N HA 0.519 5.259 4.740 0.001 0.000 0.283 408 N C -0.892 174.491 175.510 -0.210 0.000 1.377 408 N CA -0.095 52.832 53.050 -0.205 0.000 0.791 408 N CB 1.227 39.596 38.487 -0.197 0.000 1.540 408 N HN 0.056 nan 8.380 nan 0.000 0.539 409 A N 1.161 123.851 122.820 -0.217 0.000 2.371 409 A HA 0.464 4.785 4.320 0.001 0.000 0.257 409 A C -2.037 175.329 177.584 -0.363 0.000 1.089 409 A CA -0.878 50.999 52.037 -0.266 0.000 0.794 409 A CB -0.292 18.567 19.000 -0.233 0.000 1.029 409 A HN 0.415 nan 8.150 nan 0.000 0.488 410 P HA 0.225 nan 4.420 nan 0.000 0.275 410 P C 0.580 177.445 177.300 -0.726 0.000 1.266 410 P CA 0.363 62.922 63.100 -0.901 0.000 0.793 410 P CB 0.996 31.467 31.700 -2.049 0.000 1.074 411 A N 0.280 122.771 122.820 -0.548 0.000 1.968 411 A HA -0.107 4.214 4.320 0.001 0.000 0.217 411 A C 1.760 179.260 177.584 -0.140 0.000 1.169 411 A CA 0.996 52.901 52.037 -0.221 0.000 0.638 411 A CB -1.559 17.425 19.000 -0.026 0.000 0.812 411 A HN 0.790 nan 8.150 nan 0.000 0.446 412 W N -0.817 120.450 121.300 -0.054 0.000 3.077 412 W HA 0.344 5.005 4.660 0.001 0.000 0.245 412 W C 0.461 176.936 176.519 -0.072 0.000 1.316 412 W CA 0.668 57.978 57.345 -0.059 0.000 1.537 412 W CB 0.066 29.486 29.460 -0.067 0.000 1.131 412 W HN 0.151 nan 8.180 nan 0.000 0.695 413 K N 1.506 121.689 120.400 -0.362 0.000 3.072 413 K HA 0.077 4.397 4.320 0.001 0.000 0.216 413 K C -2.169 174.264 176.600 -0.278 0.000 1.253 413 K CA -0.693 55.455 56.287 -0.232 0.000 0.891 413 K CB 0.720 33.116 32.500 -0.175 0.000 1.224 413 K HN -0.291 nan 8.250 nan 0.000 0.570 414 P HA -0.140 nan 4.420 nan 0.000 0.228 414 P C 0.126 177.345 177.300 -0.136 0.000 1.151 414 P CA 1.005 63.999 63.100 -0.177 0.000 0.770 414 P CB 0.178 31.802 31.700 -0.125 0.000 0.786 415 D N -1.376 118.958 120.400 -0.111 0.000 2.358 415 D HA 0.008 4.648 4.640 0.001 0.000 0.224 415 D C -0.113 176.141 176.300 -0.077 0.000 1.123 415 D CA -0.130 53.822 54.000 -0.080 0.000 0.833 415 D CB -0.959 39.808 40.800 -0.055 0.000 0.946 415 D HN -0.079 nan 8.370 nan 0.000 0.505 416 T N 0.771 115.262 114.554 -0.105 0.000 2.908 416 T HA 0.278 4.629 4.350 0.001 0.000 0.301 416 T C 1.330 175.994 174.700 -0.060 0.000 1.019 416 T CA 0.344 62.400 62.100 -0.072 0.000 1.152 416 T CB 1.606 70.406 68.868 -0.112 0.000 0.966 416 T HN 0.275 nan 8.240 nan 0.000 0.540 417 A N 3.517 126.325 122.820 -0.019 0.000 1.844 417 A HA 0.084 4.405 4.320 0.001 0.000 0.212 417 A C 0.524 178.121 177.584 0.022 0.000 1.221 417 A CA 0.583 52.626 52.037 0.010 0.000 0.607 417 A CB -0.445 18.581 19.000 0.043 0.000 0.878 417 A HN 0.742 nan 8.150 nan 0.000 0.451 418 Y N 2.321 122.444 120.300 -0.294 0.000 2.644 418 Y HA 0.345 4.896 4.550 0.001 0.000 0.354 418 Y C 0.885 176.103 175.900 -1.136 0.000 1.166 418 Y CA 0.089 57.810 58.100 -0.632 0.000 1.591 418 Y CB -0.803 37.398 38.460 -0.433 0.000 1.346 418 Y HN 0.399 nan 8.280 nan 0.000 0.497 419 T N -2.523 111.438 114.554 -0.988 0.000 2.864 419 T HA 0.294 4.644 4.350 0.001 0.000 0.299 419 T C 0.988 175.417 174.700 -0.452 0.000 1.166 419 T CA -0.706 60.942 62.100 -0.754 0.000 1.007 419 T CB 1.559 70.232 68.868 -0.325 0.000 1.219 419 T HN 0.224 nan 8.240 nan 0.000 0.506 420 T N 1.053 115.576 114.554 -0.053 0.000 2.674 420 T HA -0.106 4.244 4.350 0.001 0.000 0.265 420 T C 2.111 176.823 174.700 0.020 0.000 1.039 420 T CA 1.613 63.787 62.100 0.123 0.000 1.150 420 T CB -0.429 68.513 68.868 0.125 0.000 0.864 420 T HN 0.505 nan 8.240 nan 0.000 0.427 421 V N 2.653 122.511 119.914 -0.094 0.000 2.332 421 V HA -0.220 3.900 4.120 0.001 0.000 0.248 421 V C 2.481 178.559 176.094 -0.027 0.000 1.055 421 V CA 1.609 63.869 62.300 -0.067 0.000 1.038 421 V CB -0.703 31.018 31.823 -0.170 0.000 0.651 421 V HN 0.448 nan 8.190 nan 0.000 0.450 422 N N 0.934 119.581 118.700 -0.089 0.000 2.069 422 N HA -0.136 4.604 4.740 0.001 0.000 0.191 422 N C 1.948 177.421 175.510 -0.061 0.000 1.031 422 N CA 1.785 54.786 53.050 -0.082 0.000 0.852 422 N CB -0.905 37.507 38.487 -0.125 0.000 1.018 422 N HN 0.520 nan 8.380 nan 0.000 0.423 423 G N 1.084 109.842 108.800 -0.070 0.000 2.476 423 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 423 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 423 G C 1.744 176.636 174.900 -0.013 0.000 1.164 423 G CA 1.129 46.201 45.100 -0.047 0.000 0.768 423 G HN 0.218 nan 8.290 nan 0.000 0.560 424 V N 1.571 121.508 119.914 0.040 0.000 2.295 424 V HA -0.213 3.907 4.120 0.001 0.000 0.246 424 V C 2.701 178.814 176.094 0.030 0.000 1.049 424 V CA 1.919 64.254 62.300 0.057 0.000 1.024 424 V CB -0.545 31.373 31.823 0.160 0.000 0.648 424 V HN 0.325 nan 8.190 nan 0.000 0.447 425 N N 0.714 119.435 118.700 0.036 0.000 2.069 425 N HA -0.169 4.571 4.740 0.001 0.000 0.191 425 N C 1.946 177.457 175.510 0.000 0.000 1.031 425 N CA 1.810 54.872 53.050 0.019 0.000 0.852 425 N CB -0.614 37.880 38.487 0.011 0.000 1.018 425 N HN 0.498 nan 8.380 nan 0.000 0.423 426 A N 1.484 124.297 122.820 -0.012 0.000 1.917 426 A HA -0.123 4.197 4.320 0.001 0.000 0.219 426 A C 2.446 180.028 177.584 -0.004 0.000 1.182 426 A CA 1.146 53.175 52.037 -0.013 0.000 0.633 426 A CB -0.805 18.180 19.000 -0.026 0.000 0.819 426 A HN 0.229 nan 8.150 nan 0.000 0.448 427 L N -0.919 120.293 121.223 -0.020 0.000 2.005 427 L HA -0.153 4.188 4.340 0.001 0.000 0.207 427 L C 2.590 179.457 176.870 -0.004 0.000 1.072 427 L CA 1.125 55.951 54.840 -0.024 0.000 0.744 427 L CB -0.579 41.431 42.059 -0.082 0.000 0.895 427 L HN 0.364 nan 8.230 nan 0.000 0.433 428 L N -0.299 120.920 121.223 -0.007 0.000 2.127 428 L HA -0.238 4.103 4.340 0.001 0.000 0.211 428 L C 2.854 179.726 176.870 0.003 0.000 1.089 428 L CA 1.124 55.962 54.840 -0.002 0.000 0.757 428 L CB -0.739 41.320 42.059 -0.000 0.000 0.899 428 L HN 0.277 nan 8.230 nan 0.000 0.434 429 A N -0.575 122.248 122.820 0.004 0.000 1.877 429 A HA -0.259 4.062 4.320 0.001 0.000 0.216 429 A C 2.211 179.800 177.584 0.008 0.000 1.186 429 A CA 1.529 53.569 52.037 0.004 0.000 0.620 429 A CB -0.488 18.514 19.000 0.002 0.000 0.822 429 A HN 0.449 nan 8.150 nan 0.000 0.443 430 Q N -2.038 117.772 119.800 0.016 0.000 2.226 430 Q HA 0.046 4.386 4.340 0.001 0.000 0.204 430 Q C 1.220 177.233 176.000 0.022 0.000 0.975 430 Q CA 0.963 56.780 55.803 0.024 0.000 0.866 430 Q CB -0.110 28.659 28.738 0.052 0.000 0.915 430 Q HN 0.954 nan 8.270 nan 0.000 0.440 431 G N -0.567 108.244 108.800 0.018 0.000 2.183 431 G HA2 -0.176 3.784 3.960 0.001 0.000 0.168 431 G HA3 -0.176 3.784 3.960 0.001 0.000 0.168 431 G C -0.103 174.806 174.900 0.015 0.000 1.008 431 G CA -0.157 44.951 45.100 0.014 0.000 0.677 431 G HN 0.142 nan 8.290 nan 0.000 0.498 432 V N 1.412 121.337 119.914 0.019 0.000 2.585 432 V HA 0.227 4.347 4.120 0.001 0.000 0.296 432 V C 1.143 177.234 176.094 -0.005 0.000 1.035 432 V CA 0.153 62.460 62.300 0.013 0.000 1.084 432 V CB 1.108 32.934 31.823 0.004 0.000 0.953 432 V HN 0.338 nan 8.190 nan 0.000 0.483 433 K N 7.952 128.347 120.400 -0.009 0.000 2.416 433 K HA 0.114 4.435 4.320 0.001 0.000 0.283 433 K C -1.175 175.409 176.600 -0.026 0.000 1.037 433 K CA -1.009 55.268 56.287 -0.016 0.000 0.995 433 K CB 0.716 33.205 32.500 -0.017 0.000 0.938 433 K HN 0.479 nan 8.250 nan 0.000 0.475 434 P HA -0.196 nan 4.420 nan 0.000 0.217 434 P C 1.073 178.352 177.300 -0.037 0.000 1.148 434 P CA 1.360 64.436 63.100 -0.040 0.000 0.828 434 P CB 0.164 31.835 31.700 -0.047 0.000 0.783 435 G N 0.343 109.126 108.800 -0.027 0.000 2.509 435 G HA2 -0.174 3.786 3.960 0.001 0.000 0.218 435 G HA3 -0.174 3.786 3.960 0.001 0.000 0.218 435 G C 1.613 176.507 174.900 -0.011 0.000 1.124 435 G CA 0.336 45.427 45.100 -0.015 0.000 0.776 435 G HN 0.252 nan 8.290 nan 0.000 0.547 436 K N -0.026 120.354 120.400 -0.034 0.000 2.305 436 K HA 0.157 4.478 4.320 0.001 0.000 0.199 436 K C 0.826 177.396 176.600 -0.050 0.000 1.047 436 K CA 0.002 56.256 56.287 -0.054 0.000 0.976 436 K CB 0.313 32.771 32.500 -0.070 0.000 0.765 436 K HN 0.337 nan 8.250 nan 0.000 0.474 437 I N 2.508 123.054 120.570 -0.039 0.000 2.396 437 I HA 0.022 4.193 4.170 0.001 0.000 0.289 437 I C -0.184 175.944 176.117 0.019 0.000 1.056 437 I CA -0.445 60.838 61.300 -0.029 0.000 1.365 437 I CB 0.942 38.927 38.000 -0.026 0.000 1.407 437 I HN -0.333 nan 8.210 nan 0.000 0.509 438 V N 7.563 127.514 119.914 0.062 0.000 2.334 438 V HA 0.236 4.357 4.120 0.001 0.000 0.281 438 V C 0.280 176.630 176.094 0.428 0.000 1.016 438 V CA -0.760 61.667 62.300 0.212 0.000 0.832 438 V CB 1.481 33.434 31.823 0.218 0.000 0.999 438 V HN 0.411 nan 8.190 nan 0.000 0.439 439 V N 4.112 124.208 119.914 0.303 0.000 2.715 439 V HA 0.478 4.599 4.120 0.001 0.000 0.299 439 V C 1.103 177.269 176.094 0.121 0.000 1.054 439 V CA 0.358 62.807 62.300 0.248 0.000 1.077 439 V CB 1.336 33.276 31.823 0.195 0.000 0.972 439 V HN 0.961 nan 8.190 nan 0.000 0.484 440 G N 2.672 111.404 108.800 -0.114 0.000 2.410 440 G HA2 0.681 4.642 3.960 0.001 0.000 0.330 440 G HA3 0.681 4.642 3.960 0.001 0.000 0.330 440 G C -0.267 174.531 174.900 -0.169 0.000 1.142 440 G CA -0.116 44.580 45.100 -0.674 0.000 0.902 440 G HN 0.870 nan 8.290 nan 0.000 0.491 441 T N -2.002 112.452 114.554 -0.167 0.000 2.916 441 T HA 0.759 5.110 4.350 0.001 0.000 0.292 441 T C -0.266 174.389 174.700 -0.075 0.000 1.055 441 T CA -0.512 61.559 62.100 -0.049 0.000 1.009 441 T CB 2.016 70.845 68.868 -0.065 0.000 1.118 441 T HN 1.171 nan 8.240 nan 0.000 0.497 442 A N 2.342 125.087 122.820 -0.125 0.000 2.305 442 A HA 0.715 5.036 4.320 0.001 0.000 0.322 442 A C 0.515 178.014 177.584 -0.142 0.000 1.187 442 A CA -1.051 50.831 52.037 -0.259 0.000 0.825 442 A CB 0.568 19.127 19.000 -0.735 0.000 1.164 442 A HN 0.965 nan 8.150 nan 0.000 0.498 443 M N 2.147 121.778 119.600 0.051 0.000 2.655 443 M HA 0.254 4.734 4.480 0.001 0.000 0.311 443 M C -0.950 175.500 176.300 0.250 0.000 1.229 443 M CA 0.134 55.479 55.300 0.075 0.000 0.972 443 M CB -0.488 32.124 32.600 0.019 0.000 1.366 443 M HN 0.773 nan 8.290 nan 0.000 0.500 444 Y N -2.923 117.453 120.300 0.128 0.000 2.670 444 Y HA 0.903 5.454 4.550 0.001 0.000 0.334 444 Y C -0.612 175.409 175.900 0.201 0.000 1.185 444 Y CA -1.769 56.420 58.100 0.149 0.000 1.053 444 Y CB 0.579 39.114 38.460 0.125 0.000 1.298 444 Y HN -0.070 nan 8.280 nan 0.000 0.459 445 G N 0.978 109.899 108.800 0.201 0.000 2.519 445 G HA2 0.700 4.661 3.960 0.001 0.000 0.307 445 G HA3 0.700 4.661 3.960 0.001 0.000 0.307 445 G C -1.694 173.319 174.900 0.189 0.000 1.266 445 G CA -1.466 43.725 45.100 0.152 0.000 0.970 445 G HN 0.658 nan 8.290 nan 0.000 0.481 446 R N -0.419 120.137 120.500 0.093 0.000 2.589 446 R HA 0.725 5.066 4.340 0.001 0.000 0.293 446 R C -0.134 175.978 176.300 -0.314 0.000 0.963 446 R CA -0.488 55.567 56.100 -0.074 0.000 0.905 446 R CB 2.317 32.557 30.300 -0.100 0.000 1.144 446 R HN 0.727 nan 8.270 nan 0.000 0.459 447 G N 1.108 109.620 108.800 -0.480 0.000 2.684 447 G HA2 0.543 4.504 3.960 0.001 0.000 0.290 447 G HA3 0.543 4.504 3.960 0.001 0.000 0.290 447 G C -1.690 172.868 174.900 -0.570 0.000 1.425 447 G CA -0.561 44.241 45.100 -0.497 0.000 0.822 447 G HN 0.364 nan 8.290 nan 0.000 0.482 448 W N -0.624 120.693 121.300 0.028 0.000 2.820 448 W HA 0.694 5.355 4.660 0.001 0.000 0.350 448 W C -0.301 176.215 176.519 -0.005 0.000 1.116 448 W CA -0.592 56.755 57.345 0.002 0.000 1.146 448 W CB 2.294 31.741 29.460 -0.020 0.000 1.433 448 W HN 0.637 nan 8.180 nan 0.000 0.561 449 T N -0.961 113.724 114.554 0.219 0.000 2.924 449 T HA 0.499 4.850 4.350 0.001 0.000 0.291 449 T C 0.553 175.302 174.700 0.082 0.000 1.045 449 T CA 0.503 62.662 62.100 0.098 0.000 1.015 449 T CB 1.066 69.963 68.868 0.047 0.000 1.103 449 T HN 0.913 nan 8.240 nan 0.000 0.496 450 G N 1.894 110.709 108.800 0.026 0.000 2.323 450 G HA2 -0.182 3.778 3.960 0.001 0.000 0.292 450 G HA3 -0.182 3.778 3.960 0.001 0.000 0.292 450 G C 0.167 175.103 174.900 0.060 0.000 1.040 450 G CA 0.329 45.445 45.100 0.026 0.000 0.942 450 G HN 0.933 nan 8.290 nan 0.000 0.506 451 V N 0.643 120.613 119.914 0.093 0.000 2.740 451 V HA 0.488 4.608 4.120 0.001 0.000 0.303 451 V C 0.583 176.797 176.094 0.200 0.000 1.054 451 V CA 0.694 63.043 62.300 0.083 0.000 1.106 451 V CB 1.077 32.921 31.823 0.035 0.000 0.957 451 V HN 1.073 nan 8.190 nan 0.000 0.486 452 N N 1.169 119.982 118.700 0.187 0.000 3.116 452 N HA 0.583 5.324 4.740 0.001 0.000 0.244 452 N C 0.109 175.683 175.510 0.107 0.000 1.485 452 N CA -0.193 52.988 53.050 0.219 0.000 0.884 452 N CB 1.341 39.871 38.487 0.073 0.000 1.415 452 N HN 0.985 nan 8.380 nan 0.000 0.524 453 G N -1.275 107.478 108.800 -0.079 0.000 2.176 453 G HA2 -0.252 3.709 3.960 0.001 0.000 0.252 453 G HA3 -0.252 3.709 3.960 0.001 0.000 0.252 453 G C -0.536 174.295 174.900 -0.115 0.000 1.024 453 G CA 0.857 45.882 45.100 -0.125 0.000 0.755 453 G HN 0.955 nan 8.290 nan 0.000 0.507 454 Y N -0.805 119.399 120.300 -0.161 0.000 2.354 454 Y HA 0.791 5.342 4.550 0.001 0.000 0.322 454 Y C 0.174 175.967 175.900 -0.178 0.000 1.253 454 Y CA -1.369 56.600 58.100 -0.218 0.000 1.272 454 Y CB 0.901 39.166 38.460 -0.325 0.000 1.255 454 Y HN 0.380 nan 8.280 nan 0.000 0.500 455 Q N -0.239 119.520 119.800 -0.068 0.000 2.451 455 Q HA 0.468 4.809 4.340 0.001 0.000 0.281 455 Q C -0.620 175.345 176.000 -0.059 0.000 1.099 455 Q CA -1.048 54.698 55.803 -0.095 0.000 0.806 455 Q CB 1.247 29.932 28.738 -0.088 0.000 1.419 455 Q HN 0.665 nan 8.270 nan 0.000 0.427 456 N N 1.106 119.779 118.700 -0.045 0.000 2.741 456 N HA -0.210 4.530 4.740 0.001 0.000 0.251 456 N C -0.871 174.630 175.510 -0.015 0.000 1.112 456 N CA 1.054 54.091 53.050 -0.023 0.000 0.750 456 N CB -1.113 37.364 38.487 -0.016 0.000 1.119 456 N HN 0.888 nan 8.380 nan 0.000 0.561 457 N N -0.986 117.722 118.700 0.014 0.000 2.754 457 N HA -0.189 4.552 4.740 0.001 0.000 0.248 457 N C -0.942 174.508 175.510 -0.101 0.000 1.093 457 N CA 0.925 53.999 53.050 0.040 0.000 0.699 457 N CB -0.858 37.652 38.487 0.038 0.000 1.016 457 N HN 0.426 nan 8.380 nan 0.000 0.552 458 I N 0.201 120.645 120.570 -0.210 0.000 2.555 458 I HA 0.189 4.359 4.170 0.001 0.000 0.275 458 I C -1.456 174.227 176.117 -0.723 0.000 1.082 458 I CA -1.883 59.105 61.300 -0.520 0.000 1.167 458 I CB 1.322 38.915 38.000 -0.677 0.000 1.312 458 I HN -0.267 nan 8.210 nan 0.000 0.493 459 P HA -0.201 nan 4.420 nan 0.000 0.218 459 P C 1.548 178.217 177.300 -1.052 0.000 1.150 459 P CA 1.706 63.942 63.100 -1.440 0.000 0.841 459 P CB 0.062 30.616 31.700 -1.910 0.000 0.784 460 F N -0.577 118.802 119.950 -0.953 0.000 2.373 460 F HA -0.130 4.397 4.527 0.001 0.000 0.300 460 F C 2.117 177.522 175.800 -0.658 0.000 1.080 460 F CA 1.683 59.176 58.000 -0.845 0.000 1.417 460 F CB -1.704 36.744 39.000 -0.920 0.000 1.070 460 F HN 0.045 nan 8.300 nan 0.000 0.546 461 T N -3.199 111.064 114.554 -0.485 0.000 3.100 461 T HA 0.319 4.670 4.350 0.001 0.000 0.253 461 T C 1.322 175.910 174.700 -0.187 0.000 1.118 461 T CA 0.416 62.340 62.100 -0.292 0.000 1.058 461 T CB -0.478 68.228 68.868 -0.270 0.000 0.953 461 T HN 0.165 nan 8.240 nan 0.000 0.515 462 G N 1.325 110.003 108.800 -0.203 0.000 2.641 462 G HA2 0.579 4.539 3.960 0.001 0.000 0.239 462 G HA3 0.579 4.539 3.960 0.001 0.000 0.239 462 G C -0.408 174.386 174.900 -0.176 0.000 1.402 462 G CA -0.155 44.878 45.100 -0.112 0.000 1.046 462 G HN 0.584 nan 8.290 nan 0.000 0.565 463 T N -3.471 111.006 114.554 -0.129 0.000 2.906 463 T HA 0.746 5.097 4.350 0.001 0.000 0.295 463 T C -0.341 174.282 174.700 -0.128 0.000 1.075 463 T CA -0.142 61.866 62.100 -0.153 0.000 1.005 463 T CB 1.810 70.626 68.868 -0.088 0.000 1.136 463 T HN 1.182 nan 8.240 nan 0.000 0.498 464 A N 0.660 123.397 122.820 -0.139 0.000 2.299 464 A HA 0.761 5.082 4.320 0.001 0.000 0.332 464 A C 1.238 178.835 177.584 0.021 0.000 1.131 464 A CA -0.201 51.814 52.037 -0.037 0.000 0.844 464 A CB 1.136 20.141 19.000 0.009 0.000 1.251 464 A HN 1.271 nan 8.150 nan 0.000 0.486 465 T N -2.403 112.183 114.554 0.054 0.000 3.014 465 T HA 0.514 4.864 4.350 0.001 0.000 0.250 465 T C 0.755 175.498 174.700 0.072 0.000 1.060 465 T CA 0.897 63.027 62.100 0.050 0.000 1.040 465 T CB -0.032 68.858 68.868 0.036 0.000 0.971 465 T HN 1.915 nan 8.240 nan 0.000 0.497 466 G N 1.425 110.289 108.800 0.106 0.000 2.489 466 G HA2 0.564 4.525 3.960 0.001 0.000 0.305 466 G HA3 0.564 4.525 3.960 0.001 0.000 0.305 466 G C -3.429 171.559 174.900 0.147 0.000 1.311 466 G CA -1.019 44.149 45.100 0.113 0.000 0.813 466 G HN 0.062 nan 8.290 nan 0.000 0.480 467 P HA 0.441 nan 4.420 nan 0.000 0.279 467 P C -0.102 177.222 177.300 0.039 0.000 1.252 467 P CA -0.328 62.806 63.100 0.057 0.000 0.811 467 P CB 2.091 33.813 31.700 0.036 0.000 1.035 468 V N 1.936 121.848 119.914 -0.003 0.000 2.732 468 V HA 0.111 4.232 4.120 0.001 0.000 0.297 468 V C 0.720 176.816 176.094 0.002 0.000 1.060 468 V CA -0.566 61.735 62.300 0.002 0.000 1.038 468 V CB 0.306 32.117 31.823 -0.020 0.000 1.003 468 V HN 0.564 nan 8.190 nan 0.000 0.481 469 K N 4.698 125.104 120.400 0.010 0.000 2.419 469 K HA 0.301 4.621 4.320 0.001 0.000 0.282 469 K C 0.277 176.888 176.600 0.019 0.000 1.056 469 K CA 0.510 56.807 56.287 0.017 0.000 1.035 469 K CB 0.009 32.524 32.500 0.025 0.000 0.921 469 K HN 0.907 nan 8.250 nan 0.000 0.472 470 G N 2.349 111.156 108.800 0.011 0.000 2.522 470 G HA2 0.098 4.059 3.960 0.001 0.000 0.304 470 G HA3 0.098 4.059 3.960 0.001 0.000 0.304 470 G C 0.547 175.400 174.900 -0.079 0.000 1.210 470 G CA -0.569 44.533 45.100 0.002 0.000 0.960 470 G HN 0.679 nan 8.290 nan 0.000 0.497 471 T N -0.647 113.817 114.554 -0.151 0.000 2.770 471 T HA -0.071 4.280 4.350 0.001 0.000 0.263 471 T C 1.474 175.715 174.700 -0.764 0.000 1.039 471 T CA 1.541 63.340 62.100 -0.502 0.000 1.142 471 T CB -0.098 68.441 68.868 -0.550 0.000 0.868 471 T HN 0.652 nan 8.240 nan 0.000 0.435 472 W N 1.460 122.777 121.300 0.028 0.000 2.942 472 W HA 0.327 4.988 4.660 0.001 0.000 0.260 472 W C 0.496 177.034 176.519 0.033 0.000 1.101 472 W CA -0.612 56.750 57.345 0.028 0.000 1.436 472 W CB 0.775 30.247 29.460 0.020 0.000 0.883 472 W HN 0.216 nan 8.180 nan 0.000 0.646 473 E N 0.386 120.711 120.200 0.209 0.000 2.372 473 E HA 0.272 4.623 4.350 0.001 0.000 0.279 473 E C -0.639 176.016 176.600 0.091 0.000 0.946 473 E CA -0.991 55.493 56.400 0.140 0.000 0.769 473 E CB 0.688 30.476 29.700 0.146 0.000 1.230 473 E HN -0.270 nan 8.360 nan 0.000 0.442 474 N N 0.675 119.417 118.700 0.071 0.000 2.353 474 N HA 0.131 4.872 4.740 0.001 0.000 0.248 474 N C 1.063 176.596 175.510 0.037 0.000 1.240 474 N CA 1.872 54.951 53.050 0.049 0.000 0.862 474 N CB 0.769 39.287 38.487 0.051 0.000 1.086 474 N HN 0.975 nan 8.380 nan 0.000 0.453 475 G N 0.457 109.259 108.800 0.002 0.000 2.184 475 G HA2 -0.266 3.695 3.960 0.001 0.000 0.264 475 G HA3 -0.266 3.695 3.960 0.001 0.000 0.264 475 G C -0.019 174.868 174.900 -0.022 0.000 0.975 475 G CA 0.237 45.305 45.100 -0.055 0.000 0.642 475 G HN 0.573 nan 8.290 nan 0.000 0.536 476 I N 0.139 120.736 120.570 0.045 0.000 2.619 476 I HA 0.607 4.778 4.170 0.001 0.000 0.292 476 I C -0.228 175.962 176.117 0.121 0.000 1.100 476 I CA -1.465 59.907 61.300 0.119 0.000 1.043 476 I CB 2.512 40.589 38.000 0.128 0.000 1.239 476 I HN 0.259 nan 8.210 nan 0.000 0.420 477 V N 0.395 120.404 119.914 0.158 0.000 2.686 477 V HA 0.531 4.652 4.120 0.001 0.000 0.306 477 V C -0.743 175.433 176.094 0.137 0.000 1.065 477 V CA -0.806 61.560 62.300 0.109 0.000 0.894 477 V CB 1.683 33.575 31.823 0.114 0.000 1.004 477 V HN 0.537 nan 8.190 nan 0.000 0.424 478 D N 2.276 122.737 120.400 0.102 0.000 2.472 478 D HA 0.046 4.687 4.640 0.001 0.000 0.237 478 D C 0.593 176.917 176.300 0.039 0.000 1.141 478 D CA 0.343 54.420 54.000 0.127 0.000 0.875 478 D CB 0.739 41.611 40.800 0.122 0.000 1.192 478 D HN 0.841 nan 8.370 nan 0.000 0.450 479 Y N 2.819 123.118 120.300 -0.000 0.000 2.207 479 Y HA -0.254 4.297 4.550 0.001 0.000 0.287 479 Y C 2.348 178.180 175.900 -0.112 0.000 1.156 479 Y CA 1.844 59.905 58.100 -0.065 0.000 1.182 479 Y CB 0.073 38.538 38.460 0.007 0.000 0.979 479 Y HN 0.397 nan 8.280 nan 0.000 0.521 480 R N 0.327 120.767 120.500 -0.099 0.000 2.103 480 R HA -0.279 4.061 4.340 0.001 0.000 0.242 480 R C 2.433 178.532 176.300 -0.335 0.000 1.142 480 R CA 2.214 58.210 56.100 -0.173 0.000 0.960 480 R CB -0.450 29.836 30.300 -0.023 0.000 0.858 480 R HN 0.593 nan 8.270 nan 0.000 0.439 481 Q N 0.141 119.737 119.800 -0.341 0.000 2.187 481 Q HA -0.073 4.268 4.340 0.001 0.000 0.199 481 Q C 2.065 177.569 176.000 -0.826 0.000 0.957 481 Q CA 1.106 56.605 55.803 -0.507 0.000 0.857 481 Q CB 0.068 28.555 28.738 -0.419 0.000 0.929 481 Q HN 0.469 nan 8.270 nan 0.000 0.453 482 I N 0.515 120.660 120.570 -0.708 0.000 2.163 482 I HA -0.229 3.942 4.170 0.001 0.000 0.240 482 I C 2.376 178.054 176.117 -0.731 0.000 1.081 482 I CA 1.098 61.951 61.300 -0.745 0.000 1.353 482 I CB -0.426 37.125 38.000 -0.749 0.000 1.054 482 I HN 0.223 nan 8.210 nan 0.000 0.407 483 A N -0.010 122.336 122.820 -0.790 0.000 2.015 483 A HA -0.181 4.139 4.320 0.001 0.000 0.219 483 A C 2.428 179.772 177.584 -0.399 0.000 1.163 483 A CA 2.012 53.706 52.037 -0.571 0.000 0.646 483 A CB -0.506 18.072 19.000 -0.703 0.000 0.806 483 A HN 0.499 nan 8.150 nan 0.000 0.448 484 S N -1.858 113.570 115.700 -0.453 0.000 2.492 484 S HA 0.047 4.518 4.470 0.001 0.000 0.218 484 S C 1.664 176.028 174.600 -0.393 0.000 1.016 484 S CA 0.808 58.801 58.200 -0.345 0.000 0.916 484 S CB -0.055 62.975 63.200 -0.284 0.000 0.791 484 S HN 0.621 nan 8.310 nan 0.000 0.513 485 Q N -0.989 118.419 119.800 -0.654 0.000 2.369 485 Q HA 0.327 4.668 4.340 0.001 0.000 0.254 485 Q C -0.262 175.353 176.000 -0.641 0.000 0.858 485 Q CA 0.156 55.560 55.803 -0.666 0.000 0.961 485 Q CB 0.481 28.706 28.738 -0.856 0.000 1.119 485 Q HN 0.601 nan 8.270 nan 0.000 0.538 486 F N -0.218 119.358 119.950 -0.625 0.000 2.750 486 F HA 0.328 4.856 4.527 0.001 0.000 0.297 486 F C 0.644 176.146 175.800 -0.498 0.000 1.138 486 F CA -0.070 57.279 58.000 -1.085 0.000 1.346 486 F CB 0.508 38.535 39.000 -1.623 0.000 0.965 486 F HN -0.004 nan 8.300 nan 0.000 0.514 487 M N 0.234 119.758 119.600 -0.128 0.000 2.685 487 M HA 0.282 4.762 4.480 0.001 0.000 0.355 487 M C 0.157 176.497 176.300 0.067 0.000 1.197 487 M CA 0.162 55.478 55.300 0.027 0.000 0.947 487 M CB -0.604 31.967 32.600 -0.048 0.000 1.346 487 M HN 0.212 nan 8.290 nan 0.000 0.516 488 S N -2.210 113.569 115.700 0.132 0.000 2.694 488 S HA 0.852 5.323 4.470 0.001 0.000 0.273 488 S C 0.252 175.019 174.600 0.279 0.000 1.180 488 S CA -0.027 58.267 58.200 0.156 0.000 0.864 488 S CB 1.182 64.428 63.200 0.077 0.000 1.198 488 S HN 0.607 nan 8.310 nan 0.000 0.499 489 G N 1.333 110.252 108.800 0.198 0.000 2.527 489 G HA2 -0.292 3.669 3.960 0.001 0.000 0.268 489 G HA3 -0.292 3.669 3.960 0.001 0.000 0.268 489 G C 0.453 175.447 174.900 0.157 0.000 1.175 489 G CA 0.623 45.840 45.100 0.195 0.000 0.962 489 G HN 1.146 nan 8.290 nan 0.000 0.560 490 E N -0.067 120.178 120.200 0.074 0.000 2.481 490 E HA 0.038 4.389 4.350 0.001 0.000 0.195 490 E C 0.215 176.754 176.600 -0.102 0.000 1.047 490 E CA -0.305 56.052 56.400 -0.072 0.000 0.867 490 E CB 0.055 29.626 29.700 -0.214 0.000 0.858 490 E HN 0.389 nan 8.360 nan 0.000 0.513 491 W N 2.236 123.553 121.300 0.028 0.000 2.308 491 W HA 0.049 4.710 4.660 0.001 0.000 0.324 491 W C 0.488 177.068 176.519 0.103 0.000 1.387 491 W CA -0.230 57.145 57.345 0.051 0.000 1.250 491 W CB 0.431 29.956 29.460 0.108 0.000 1.257 491 W HN -0.080 nan 8.180 nan 0.000 0.554 492 Q N 3.276 123.264 119.800 0.313 0.000 2.274 492 Q HA 0.149 4.490 4.340 0.001 0.000 0.256 492 Q C -1.202 174.975 176.000 0.295 0.000 0.927 492 Q CA -0.837 55.126 55.803 0.266 0.000 0.939 492 Q CB 1.607 30.483 28.738 0.230 0.000 1.201 492 Q HN 0.507 nan 8.270 nan 0.000 0.426 493 Y N 1.439 121.827 120.300 0.147 0.000 2.341 493 Y HA 0.367 4.918 4.550 0.001 0.000 0.337 493 Y C -0.707 175.188 175.900 -0.010 0.000 1.014 493 Y CA -0.130 58.038 58.100 0.114 0.000 1.111 493 Y CB 1.601 40.150 38.460 0.148 0.000 1.194 493 Y HN 0.420 nan 8.280 nan 0.000 0.462 494 T N 6.017 120.332 114.554 -0.399 0.000 3.032 494 T HA 0.187 4.538 4.350 0.001 0.000 0.312 494 T C -2.176 172.342 174.700 -0.305 0.000 1.078 494 T CA -0.554 61.355 62.100 -0.318 0.000 1.028 494 T CB 0.695 69.155 68.868 -0.679 0.000 1.091 494 T HN 0.468 nan 8.240 nan 0.000 0.457 495 Y N 3.156 123.428 120.300 -0.047 0.000 2.402 495 Y HA 0.355 4.906 4.550 0.001 0.000 0.332 495 Y C -0.090 175.848 175.900 0.064 0.000 0.960 495 Y CA -1.104 57.001 58.100 0.008 0.000 1.228 495 Y CB 0.682 39.211 38.460 0.115 0.000 1.120 495 Y HN 0.553 nan 8.280 nan 0.000 0.491 496 D N 5.013 125.214 120.400 -0.332 0.000 2.342 496 D HA 0.102 4.743 4.640 0.001 0.000 0.260 496 D C 0.733 176.803 176.300 -0.384 0.000 1.278 496 D CA 0.550 54.470 54.000 -0.133 0.000 0.910 496 D CB 1.461 42.293 40.800 0.053 0.000 1.079 496 D HN 0.825 nan 8.370 nan 0.000 0.496 497 A N 3.455 126.236 122.820 -0.065 0.000 2.014 497 A HA -0.097 4.223 4.320 0.001 0.000 0.218 497 A C 2.082 179.651 177.584 -0.026 0.000 1.163 497 A CA 1.132 53.206 52.037 0.062 0.000 0.652 497 A CB -0.152 18.952 19.000 0.174 0.000 0.808 497 A HN 0.605 nan 8.150 nan 0.000 0.449 498 T N 0.338 114.853 114.554 -0.065 0.000 2.674 498 T HA -0.018 4.333 4.350 0.001 0.000 0.265 498 T C 2.143 176.745 174.700 -0.164 0.000 1.039 498 T CA 1.708 63.749 62.100 -0.098 0.000 1.150 498 T CB -0.354 68.446 68.868 -0.114 0.000 0.864 498 T HN 0.547 nan 8.240 nan 0.000 0.427 499 A N 0.280 122.955 122.820 -0.242 0.000 2.123 499 A HA 0.133 4.454 4.320 0.001 0.000 0.214 499 A C 0.447 177.842 177.584 -0.315 0.000 1.152 499 A CA 0.307 52.166 52.037 -0.297 0.000 0.728 499 A CB 0.025 18.806 19.000 -0.364 0.000 0.814 499 A HN 0.408 nan 8.150 nan 0.000 0.464 500 E N -1.699 118.291 120.200 -0.348 0.000 2.326 500 E HA -0.144 4.207 4.350 0.001 0.000 0.195 500 E C -0.305 176.025 176.600 -0.450 0.000 1.367 500 E CA 0.900 57.130 56.400 -0.284 0.000 0.666 500 E CB -2.166 27.500 29.700 -0.056 0.000 1.147 500 E HN 1.287 nan 8.360 nan 0.000 0.384 501 A N 1.146 123.441 122.820 -0.875 0.000 2.555 501 A HA 0.730 5.051 4.320 0.001 0.000 0.297 501 A C -2.838 174.340 177.584 -0.677 0.000 1.060 501 A CA -1.045 50.578 52.037 -0.689 0.000 0.710 501 A CB 2.317 20.832 19.000 -0.808 0.000 1.282 501 A HN 0.019 nan 8.150 nan 0.000 0.399 502 P HA 0.755 nan 4.420 nan 0.000 0.285 502 P C -1.620 175.478 177.300 -0.336 0.000 1.280 502 P CA -0.305 62.545 63.100 -0.415 0.000 0.862 502 P CB 1.285 32.750 31.700 -0.392 0.000 1.153 503 Y N -1.669 118.460 120.300 -0.284 0.000 2.573 503 Y HA 0.558 5.109 4.550 0.001 0.000 0.328 503 Y C -1.485 174.515 175.900 0.166 0.000 1.170 503 Y CA -1.494 56.688 58.100 0.135 0.000 1.078 503 Y CB 0.426 39.096 38.460 0.350 0.000 1.341 503 Y HN 0.320 nan 8.280 nan 0.000 0.459 504 V N 0.670 120.887 119.914 0.505 0.000 2.667 504 V HA 0.833 4.954 4.120 0.001 0.000 0.308 504 V C -1.377 175.096 176.094 0.632 0.000 1.048 504 V CA -0.898 61.675 62.300 0.456 0.000 0.928 504 V CB 1.938 34.017 31.823 0.425 0.000 1.004 504 V HN 0.912 nan 8.190 nan 0.000 0.444 505 F N 2.428 122.585 119.950 0.344 0.000 2.581 505 F HA 0.635 5.163 4.527 0.001 0.000 0.311 505 F C -0.420 175.288 175.800 -0.153 0.000 1.113 505 F CA -0.965 57.093 58.000 0.096 0.000 0.935 505 F CB 2.227 41.226 39.000 -0.002 0.000 1.232 505 F HN 0.685 nan 8.300 nan 0.000 0.445 506 K N 7.952 127.619 120.400 -1.223 0.000 2.419 506 K HA 0.396 4.717 4.320 0.001 0.000 0.244 506 K C -2.278 173.556 176.600 -1.277 0.000 1.045 506 K CA -1.966 53.562 56.287 -1.265 0.000 1.004 506 K CB 1.482 33.009 32.500 -1.621 0.000 1.376 506 K HN 0.271 nan 8.250 nan 0.000 0.460 507 P HA -0.302 nan 4.420 nan 0.000 0.217 507 P C 1.179 178.283 177.300 -0.325 0.000 1.158 507 P CA 1.697 64.506 63.100 -0.486 0.000 0.887 507 P CB 0.222 31.868 31.700 -0.091 0.000 0.792 508 S N -1.125 114.390 115.700 -0.308 0.000 2.365 508 S HA -0.203 4.268 4.470 0.001 0.000 0.225 508 S C 1.901 176.371 174.600 -0.216 0.000 1.039 508 S CA 2.382 60.454 58.200 -0.214 0.000 1.033 508 S CB -2.157 60.922 63.200 -0.203 0.000 0.887 508 S HN 0.337 nan 8.310 nan 0.000 0.447 509 T N -3.051 111.314 114.554 -0.314 0.000 3.060 509 T HA 0.510 4.861 4.350 0.001 0.000 0.249 509 T C 1.515 176.069 174.700 -0.244 0.000 1.079 509 T CA 0.546 62.496 62.100 -0.250 0.000 1.013 509 T CB -0.161 68.548 68.868 -0.265 0.000 0.975 509 T HN 1.339 nan 8.240 nan 0.000 0.518 510 G N 1.946 110.522 108.800 -0.373 0.000 2.160 510 G HA2 -0.197 3.764 3.960 0.001 0.000 0.251 510 G HA3 -0.197 3.764 3.960 0.001 0.000 0.251 510 G C -0.489 174.286 174.900 -0.208 0.000 1.008 510 G CA -0.009 44.940 45.100 -0.252 0.000 0.724 510 G HN 0.591 nan 8.290 nan 0.000 0.514 511 D N 0.000 120.150 120.400 -0.417 0.000 2.317 511 D HA 0.428 5.069 4.640 0.001 0.000 0.252 511 D C 0.200 176.502 176.300 0.004 0.000 1.174 511 D CA 0.039 53.931 54.000 -0.180 0.000 0.866 511 D CB 1.801 42.460 40.800 -0.235 0.000 1.127 511 D HN 0.255 nan 8.370 nan 0.000 0.467 512 L N 4.109 125.497 121.223 0.276 0.000 2.333 512 L HA 0.508 4.849 4.340 0.001 0.000 0.280 512 L C -1.202 175.882 176.870 0.358 0.000 1.004 512 L CA -0.471 54.618 54.840 0.415 0.000 0.820 512 L CB 1.253 43.477 42.059 0.275 0.000 1.247 512 L HN 0.264 nan 8.230 nan 0.000 0.416 513 I N 3.790 124.586 120.570 0.377 0.000 2.466 513 I HA 0.351 4.522 4.170 0.001 0.000 0.289 513 I C -0.332 176.108 176.117 0.538 0.000 1.026 513 I CA -0.537 60.950 61.300 0.311 0.000 1.078 513 I CB 2.203 40.306 38.000 0.172 0.000 1.249 513 I HN 0.582 nan 8.210 nan 0.000 0.429 514 T N 6.521 121.363 114.554 0.479 0.000 2.794 514 T HA 0.771 5.122 4.350 0.001 0.000 0.280 514 T C -0.755 174.232 174.700 0.479 0.000 0.987 514 T CA -0.234 62.194 62.100 0.547 0.000 0.993 514 T CB 0.510 69.706 68.868 0.547 0.000 0.939 514 T HN 0.454 nan 8.240 nan 0.000 0.449 515 F N 1.334 121.387 119.950 0.172 0.000 3.090 515 F HA 0.745 5.273 4.527 0.001 0.000 0.324 515 F C -1.440 174.405 175.800 0.076 0.000 1.189 515 F CA -1.417 56.624 58.000 0.068 0.000 0.907 515 F CB 0.428 39.498 39.000 0.116 0.000 1.445 515 F HN 0.278 nan 8.300 nan 0.000 0.500 516 D N 0.734 121.202 120.400 0.113 0.000 2.198 516 D HA 0.452 5.093 4.640 0.001 0.000 0.247 516 D C -1.386 175.007 176.300 0.155 0.000 1.010 516 D CA 0.217 54.218 54.000 0.002 0.000 0.880 516 D CB 1.866 42.648 40.800 -0.030 0.000 1.209 516 D HN 0.713 nan 8.370 nan 0.000 0.451 517 D N -0.798 119.658 120.400 0.093 0.000 2.592 517 D HA 0.398 5.039 4.640 0.001 0.000 0.263 517 D C 0.668 177.006 176.300 0.063 0.000 1.132 517 D CA -0.702 53.414 54.000 0.192 0.000 0.996 517 D CB 0.697 41.752 40.800 0.426 0.000 1.442 517 D HN 0.233 nan 8.370 nan 0.000 0.486 518 A N 0.620 123.470 122.820 0.051 0.000 1.915 518 A HA -0.305 4.016 4.320 0.001 0.000 0.220 518 A C 2.156 179.738 177.584 -0.004 0.000 1.198 518 A CA 2.706 54.747 52.037 0.007 0.000 0.647 518 A CB -0.887 18.128 19.000 0.025 0.000 0.825 518 A HN 0.676 nan 8.150 nan 0.000 0.456 519 R N -0.081 120.404 120.500 -0.024 0.000 2.073 519 R HA -0.150 4.191 4.340 0.001 0.000 0.234 519 R C 2.574 178.880 176.300 0.010 0.000 1.134 519 R CA 2.153 58.184 56.100 -0.116 0.000 0.952 519 R CB -0.333 29.694 30.300 -0.455 0.000 0.850 519 R HN 0.711 nan 8.270 nan 0.000 0.433 520 S N -0.340 115.452 115.700 0.153 0.000 2.356 520 S HA -0.103 4.368 4.470 0.001 0.000 0.223 520 S C 2.083 176.727 174.600 0.072 0.000 1.032 520 S CA 1.362 59.672 58.200 0.183 0.000 1.005 520 S CB -0.674 62.605 63.200 0.132 0.000 0.867 520 S HN 0.159 nan 8.310 nan 0.000 0.449 521 V N 2.464 122.397 119.914 0.032 0.000 2.392 521 V HA -0.231 3.890 4.120 0.001 0.000 0.249 521 V C 2.952 179.058 176.094 0.020 0.000 1.059 521 V CA 2.259 64.564 62.300 0.008 0.000 1.051 521 V CB -1.055 30.750 31.823 -0.031 0.000 0.658 521 V HN 0.606 nan 8.190 nan 0.000 0.455 522 Q N -0.297 119.512 119.800 0.015 0.000 2.124 522 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 522 Q C 2.237 178.263 176.000 0.043 0.000 0.977 522 Q CA 1.758 57.571 55.803 0.017 0.000 0.850 522 Q CB -0.237 28.501 28.738 0.000 0.000 0.901 522 Q HN 0.660 nan 8.270 nan 0.000 0.429 523 A N 1.090 123.944 122.820 0.057 0.000 1.898 523 A HA -0.190 4.131 4.320 0.001 0.000 0.216 523 A C 1.901 179.547 177.584 0.102 0.000 1.181 523 A CA 1.587 53.668 52.037 0.073 0.000 0.620 523 A CB -0.310 18.739 19.000 0.082 0.000 0.819 523 A HN 0.327 nan 8.150 nan 0.000 0.442 524 K N -0.630 119.830 120.400 0.099 0.000 2.097 524 K HA -0.058 4.262 4.320 0.001 0.000 0.205 524 K C 2.119 178.825 176.600 0.178 0.000 1.050 524 K CA 0.949 57.335 56.287 0.165 0.000 0.938 524 K CB -0.384 32.187 32.500 0.118 0.000 0.718 524 K HN 0.449 nan 8.250 nan 0.000 0.442 525 G N 2.153 111.013 108.800 0.100 0.000 2.433 525 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 525 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 525 G C 1.470 176.414 174.900 0.072 0.000 1.186 525 G CA 0.751 45.891 45.100 0.067 0.000 0.779 525 G HN 0.220 nan 8.290 nan 0.000 0.543 526 K N -0.745 119.705 120.400 0.084 0.000 2.097 526 K HA -0.175 4.146 4.320 0.001 0.000 0.206 526 K C 2.191 178.860 176.600 0.115 0.000 1.049 526 K CA 1.252 57.587 56.287 0.080 0.000 0.933 526 K CB -0.348 32.198 32.500 0.077 0.000 0.717 526 K HN 0.348 nan 8.250 nan 0.000 0.442 527 Y N 1.115 121.425 120.300 0.017 0.000 2.181 527 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 527 Y C 1.784 177.695 175.900 0.020 0.000 1.146 527 Y CA 1.329 59.439 58.100 0.017 0.000 1.164 527 Y CB -0.427 38.044 38.460 0.018 0.000 0.982 527 Y HN -0.159 nan 8.280 nan 0.000 0.515 528 V N 0.420 120.281 119.914 -0.089 0.000 2.427 528 V HA -0.305 3.816 4.120 0.001 0.000 0.248 528 V C 2.549 178.568 176.094 -0.125 0.000 1.051 528 V CA 1.903 64.096 62.300 -0.178 0.000 1.048 528 V CB -0.761 31.040 31.823 -0.037 0.000 0.666 528 V HN 0.432 nan 8.190 nan 0.000 0.456 529 L N -0.539 120.654 121.223 -0.049 0.000 2.056 529 L HA -0.164 4.176 4.340 0.001 0.000 0.207 529 L C 2.425 179.270 176.870 -0.041 0.000 1.078 529 L CA 1.656 56.479 54.840 -0.028 0.000 0.749 529 L CB -0.668 41.393 42.059 0.003 0.000 0.901 529 L HN 0.396 nan 8.230 nan 0.000 0.433 530 D N 0.202 120.578 120.400 -0.040 0.000 2.078 530 D HA -0.156 4.484 4.640 0.001 0.000 0.193 530 D C 1.802 178.058 176.300 -0.073 0.000 0.990 530 D CA 1.191 55.173 54.000 -0.029 0.000 0.827 530 D CB 0.063 40.878 40.800 0.024 0.000 0.975 530 D HN 0.136 nan 8.370 nan 0.000 0.451 531 K N 0.917 121.213 120.400 -0.174 0.000 2.555 531 K HA -0.011 4.309 4.320 0.001 0.000 0.193 531 K C 0.169 176.683 176.600 -0.144 0.000 1.032 531 K CA 0.149 56.322 56.287 -0.189 0.000 1.004 531 K CB -0.110 32.169 32.500 -0.368 0.000 0.804 531 K HN 0.327 nan 8.250 nan 0.000 0.496 532 Q N 0.503 120.234 119.800 -0.115 0.000 2.460 532 Q HA -0.185 4.156 4.340 0.001 0.000 0.311 532 Q C -0.594 175.360 176.000 -0.077 0.000 1.396 532 Q CA 0.264 56.023 55.803 -0.073 0.000 0.838 532 Q CB -1.962 26.749 28.738 -0.046 0.000 1.140 532 Q HN 0.289 nan 8.270 nan 0.000 0.415 533 L N -1.740 119.420 121.223 -0.105 0.000 2.448 533 L HA 0.398 4.739 4.340 0.001 0.000 0.258 533 L C 1.871 178.724 176.870 -0.028 0.000 1.104 533 L CA 0.164 54.955 54.840 -0.081 0.000 0.800 533 L CB 0.214 42.197 42.059 -0.126 0.000 1.241 533 L HN 0.343 nan 8.230 nan 0.000 0.472 534 G N -0.807 107.993 108.800 -0.001 0.000 2.422 534 G HA2 0.288 4.249 3.960 0.001 0.000 0.218 534 G HA3 0.288 4.249 3.960 0.001 0.000 0.218 534 G C 0.583 175.501 174.900 0.029 0.000 1.146 534 G CA 0.876 45.995 45.100 0.032 0.000 0.769 534 G HN 0.948 nan 8.290 nan 0.000 0.547 535 G N -1.500 107.328 108.800 0.046 0.000 2.491 535 G HA2 0.343 4.304 3.960 0.001 0.000 0.183 535 G HA3 0.343 4.304 3.960 0.001 0.000 0.183 535 G C -1.657 173.325 174.900 0.136 0.000 1.221 535 G CA -0.562 44.579 45.100 0.068 0.000 0.996 535 G HN 0.492 nan 8.290 nan 0.000 0.474 536 L N 0.072 121.398 121.223 0.171 0.000 2.424 536 L HA 0.868 5.208 4.340 0.001 0.000 0.258 536 L C -0.834 176.236 176.870 0.334 0.000 0.995 536 L CA -0.960 54.008 54.840 0.212 0.000 0.821 536 L CB 2.404 44.520 42.059 0.094 0.000 1.383 536 L HN 0.909 nan 8.230 nan 0.000 0.410 537 F N -0.479 119.576 119.950 0.175 0.000 2.662 537 F HA 0.872 5.399 4.527 0.001 0.000 0.312 537 F C -0.851 175.073 175.800 0.206 0.000 1.113 537 F CA -0.820 57.274 58.000 0.156 0.000 0.951 537 F CB 1.695 40.770 39.000 0.125 0.000 1.344 537 F HN 0.400 nan 8.300 nan 0.000 0.462 538 S N 0.674 116.482 115.700 0.181 0.000 2.599 538 S HA 0.430 4.901 4.470 0.001 0.000 0.287 538 S C -1.742 173.041 174.600 0.306 0.000 1.105 538 S CA -0.744 57.507 58.200 0.086 0.000 0.899 538 S CB 1.842 65.058 63.200 0.027 0.000 1.100 538 S HN 1.140 nan 8.310 nan 0.000 0.482 539 W N 4.223 125.503 121.300 -0.033 0.000 2.358 539 W HA 0.271 4.931 4.660 0.001 0.000 0.307 539 W C -0.234 176.270 176.519 -0.024 0.000 1.203 539 W CA -0.133 57.175 57.345 -0.061 0.000 1.279 539 W CB 0.068 29.312 29.460 -0.361 0.000 1.264 539 W HN 1.087 nan 8.180 nan 0.000 0.474 540 E N 3.591 123.255 120.200 -0.893 0.000 3.487 540 E HA -0.341 4.010 4.350 0.001 0.000 0.335 540 E C 0.004 176.297 176.600 -0.511 0.000 1.700 540 E CA 0.385 56.239 56.400 -0.909 0.000 1.219 540 E CB -0.978 27.878 29.700 -1.407 0.000 0.671 540 E HN 0.622 nan 8.360 nan 0.000 0.348 541 I N 2.951 123.315 120.570 -0.343 0.000 2.850 541 I HA -0.241 3.930 4.170 0.001 0.000 0.266 541 I C 1.972 177.730 176.117 -0.598 0.000 1.257 541 I CA 2.029 63.171 61.300 -0.263 0.000 1.465 541 I CB -0.270 37.709 38.000 -0.035 0.000 1.091 541 I HN 0.686 nan 8.210 nan 0.000 0.467 542 D N 0.318 120.137 120.400 -0.968 0.000 2.269 542 D HA -0.121 4.519 4.640 0.001 0.000 0.208 542 D C 1.806 177.685 176.300 -0.702 0.000 0.963 542 D CA 1.026 54.063 54.000 -1.604 0.000 0.864 542 D CB -0.092 39.955 40.800 -1.255 0.000 0.936 542 D HN 0.413 nan 8.370 nan 0.000 0.505 543 A N 0.404 122.988 122.820 -0.394 0.000 2.208 543 A HA 0.024 4.344 4.320 0.001 0.000 0.209 543 A C 0.717 178.306 177.584 0.008 0.000 1.161 543 A CA 0.132 52.103 52.037 -0.111 0.000 0.782 543 A CB -0.144 18.838 19.000 -0.030 0.000 0.816 543 A HN 0.168 nan 8.150 nan 0.000 0.477 544 D N -0.521 119.856 120.400 -0.039 0.000 2.294 544 D HA 0.266 4.907 4.640 0.001 0.000 0.250 544 D C 0.657 177.033 176.300 0.126 0.000 1.058 544 D CA -0.176 53.872 54.000 0.081 0.000 0.950 544 D CB 0.723 41.523 40.800 -0.000 0.000 1.158 544 D HN 0.196 nan 8.370 nan 0.000 0.453 545 N N 1.241 120.066 118.700 0.208 0.000 2.184 545 N HA 0.212 4.952 4.740 0.001 0.000 0.206 545 N C 1.058 176.656 175.510 0.148 0.000 1.151 545 N CA 0.512 53.663 53.050 0.169 0.000 0.878 545 N CB 1.076 39.657 38.487 0.157 0.000 1.014 545 N HN 0.565 nan 8.380 nan 0.000 0.512 546 G N 0.266 109.141 108.800 0.126 0.000 2.481 546 G HA2 -0.252 3.708 3.960 0.001 0.000 0.200 546 G HA3 -0.252 3.708 3.960 0.001 0.000 0.200 546 G C 0.583 175.524 174.900 0.068 0.000 1.012 546 G CA 0.260 45.419 45.100 0.099 0.000 0.676 546 G HN 0.254 nan 8.290 nan 0.000 0.488 547 D N 1.164 121.613 120.400 0.081 0.000 2.104 547 D HA -0.085 4.556 4.640 0.001 0.000 0.194 547 D C 2.644 178.889 176.300 -0.091 0.000 0.994 547 D CA 1.383 55.400 54.000 0.028 0.000 0.830 547 D CB -0.097 40.766 40.800 0.105 0.000 0.959 547 D HN 0.382 nan 8.370 nan 0.000 0.452 548 I N 0.591 121.028 120.570 -0.222 0.000 2.142 548 I HA -0.195 3.976 4.170 0.001 0.000 0.240 548 I C 2.506 178.554 176.117 -0.116 0.000 1.078 548 I CA 0.683 61.850 61.300 -0.223 0.000 1.343 548 I CB -1.164 36.661 38.000 -0.290 0.000 1.046 548 I HN 0.049 nan 8.210 nan 0.000 0.405 549 L N 1.401 122.579 121.223 -0.074 0.000 2.093 549 L HA -0.122 4.218 4.340 0.001 0.000 0.208 549 L C 2.156 178.965 176.870 -0.101 0.000 1.085 549 L CA 1.687 56.492 54.840 -0.057 0.000 0.755 549 L CB -0.963 41.092 42.059 -0.008 0.000 0.904 549 L HN 0.186 nan 8.230 nan 0.000 0.435 550 N N -0.858 117.812 118.700 -0.050 0.000 2.069 550 N HA -0.203 4.538 4.740 0.001 0.000 0.191 550 N C 2.076 177.474 175.510 -0.188 0.000 1.031 550 N CA 1.592 54.614 53.050 -0.047 0.000 0.852 550 N CB -0.494 38.069 38.487 0.126 0.000 1.018 550 N HN 0.409 nan 8.380 nan 0.000 0.423 551 S N 0.351 115.990 115.700 -0.101 0.000 2.383 551 S HA 0.021 4.492 4.470 0.001 0.000 0.227 551 S C 1.983 176.508 174.600 -0.126 0.000 1.026 551 S CA 0.719 58.865 58.200 -0.091 0.000 0.981 551 S CB -0.056 63.110 63.200 -0.055 0.000 0.818 551 S HN 0.204 nan 8.310 nan 0.000 0.472 552 M N 1.406 120.928 119.600 -0.130 0.000 2.108 552 M HA -0.135 4.346 4.480 0.001 0.000 0.261 552 M C 2.108 178.313 176.300 -0.158 0.000 1.066 552 M CA 1.478 56.715 55.300 -0.105 0.000 1.107 552 M CB -0.542 32.014 32.600 -0.074 0.000 1.356 552 M HN 0.357 nan 8.290 nan 0.000 0.406 553 N N 0.381 118.890 118.700 -0.318 0.000 2.080 553 N HA -0.068 4.672 4.740 0.001 0.000 0.189 553 N C 1.808 177.096 175.510 -0.370 0.000 1.036 553 N CA 1.642 54.422 53.050 -0.450 0.000 0.846 553 N CB -0.243 37.663 38.487 -0.969 0.000 1.015 553 N HN 0.311 nan 8.380 nan 0.000 0.423 554 A N 1.449 124.021 122.820 -0.413 0.000 1.865 554 A HA -0.178 4.143 4.320 0.001 0.000 0.217 554 A C 2.416 179.981 177.584 -0.032 0.000 1.191 554 A CA 2.445 54.427 52.037 -0.093 0.000 0.623 554 A CB -1.003 18.003 19.000 0.011 0.000 0.826 554 A HN 0.484 nan 8.150 nan 0.000 0.444 555 S N -0.290 115.383 115.700 -0.046 0.000 2.442 555 S HA -0.025 4.446 4.470 0.001 0.000 0.236 555 S C 1.502 176.100 174.600 -0.002 0.000 1.007 555 S CA 1.431 59.625 58.200 -0.010 0.000 0.965 555 S CB -0.524 62.673 63.200 -0.006 0.000 0.773 555 S HN 0.432 nan 8.310 nan 0.000 0.504 556 L N 0.587 121.798 121.223 -0.019 0.000 2.592 556 L HA 0.346 4.686 4.340 0.001 0.000 0.227 556 L C 1.873 178.750 176.870 0.012 0.000 1.127 556 L CA 0.405 55.244 54.840 -0.002 0.000 0.884 556 L CB -0.262 41.793 42.059 -0.007 0.000 1.065 556 L HN 0.616 nan 8.230 nan 0.000 0.457 557 G N -0.580 108.231 108.800 0.019 0.000 2.179 557 G HA2 -0.232 3.729 3.960 0.001 0.000 0.220 557 G HA3 -0.232 3.729 3.960 0.001 0.000 0.220 557 G C 0.107 175.046 174.900 0.064 0.000 0.990 557 G CA -0.465 44.659 45.100 0.040 0.000 0.646 557 G HN 0.307 nan 8.290 nan 0.000 0.517 558 N N 1.412 120.155 118.700 0.071 0.000 2.492 558 N HA 0.422 5.163 4.740 0.001 0.000 0.260 558 N C 0.385 176.035 175.510 0.233 0.000 1.215 558 N CA 0.550 53.682 53.050 0.136 0.000 0.923 558 N CB 1.111 39.679 38.487 0.135 0.000 1.092 558 N HN 0.334 nan 8.380 nan 0.000 0.448 559 S N 0.651 116.458 115.700 0.178 0.000 2.565 559 S HA 0.492 4.963 4.470 0.001 0.000 0.274 559 S C 0.741 175.391 174.600 0.083 0.000 1.309 559 S CA -0.923 57.353 58.200 0.126 0.000 1.043 559 S CB 1.350 64.588 63.200 0.064 0.000 0.939 559 S HN 0.675 nan 8.310 nan 0.000 0.504 560 A N 2.165 124.950 122.820 -0.059 0.000 2.311 560 A HA 0.749 5.070 4.320 0.001 0.000 0.272 560 A C 1.002 178.465 177.584 -0.202 0.000 1.438 560 A CA 0.070 51.900 52.037 -0.345 0.000 0.819 560 A CB -1.093 17.702 19.000 -0.342 0.000 1.336 560 A HN 2.020 nan 8.150 nan 0.000 0.528 561 G N -2.565 106.104 108.800 -0.219 0.000 2.892 561 G HA2 0.147 4.108 3.960 0.001 0.000 0.686 561 G HA3 0.147 4.108 3.960 0.001 0.000 0.686 561 G C -0.294 174.554 174.900 -0.086 0.000 1.244 561 G CA -0.415 44.613 45.100 -0.119 0.000 0.947 561 G HN 1.590 nan 8.290 nan 0.000 0.584 562 V N 3.219 123.098 119.914 -0.058 0.000 2.872 562 V HA 0.360 4.480 4.120 0.001 0.000 0.307 562 V C 1.078 177.168 176.094 -0.007 0.000 1.072 562 V CA 1.167 63.453 62.300 -0.024 0.000 1.148 562 V CB 1.043 32.858 31.823 -0.012 0.000 0.954 562 V HN 1.145 nan 8.190 nan 0.000 0.490 563 Q N 0.000 119.808 119.800 0.014 0.000 2.315 563 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 563 Q CA 0.000 55.815 55.803 0.019 0.000 1.022 563 Q CB 0.000 28.758 28.738 0.032 0.000 1.108 563 Q HN 0.000 nan 8.270 nan 0.000 0.481