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 3l7r_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTKVSSLGYP RLGENREWKK LIEAYWAGKV SKNDLFAGAK ELRLDFLKKQ DATA SEQUENCE LNAGLDLIPV GDFSLYDHIL DLSVQFNIIP KRFAKEPIDI DLYFAIARGN DATA SEQUENCE KENVASSMKK WFNTNYHYIV PEWSKQRPKL NNNRLLDLYL EAREVVGDKA DATA SEQUENCE KPVITGPITY VALSTGVEDF TAAVKSLLPL YKQVFTELVK AGASYIQVDE DATA SEQUENCE PIFVTDEGKD YLQAAKAVYA YFAKEVPDAK FIFQTYFEGL IDSQVLSQLP DATA SEQUENCE VDAFGLDFVY GLEENLEAIK TGAFKGKEIF AGVIDGRNIW SSDFVKTSAL DATA SEQUENCE LETIEEQSAA LTIQPSCSLL HVPVTTKNET DLDPVLRNGL AFADEKLTEV DATA SEQUENCE KRLAEHLDGR EDPAYDLHIA HFDALQAADF RNVKLEDLSR VATKRPSDFA DATA SEQUENCE KRRDIQQEKL HLPLLPTTTI GSFPQSXXIR RTRXAWXXGD ISDAEYKQFI DATA SEQUENCE QAEIERWIRI QEDLDLDVLV HGEFERVDMV EFFGQKLAGF TTTKFGWVQS DATA SEQUENCE YGSRAVKPPI IYGDVQHLEP ITVEETVYAQ SLTDRPVKGM LTGPITITNW DATA SEQUENCE SFERTDIPRD QLFNQIGLAI KDEIKLLENA GIAIIQVDEA ALREGLPLRK DATA SEQUENCE SKQKAYLDDA VHAFHIATSS VKDETQIHTH McYSKFDEII DAIRALDADV DATA SEQUENCE ISIETSRSHG DIIESFETAV YPLGIGLGVY DIHSXXVPTK EEVVANIERP DATA SEQUENCE LRQLSPTQFW VNPDcGLKTR QEPETIAALK VLVAATKEVR QKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.060 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.048 0.000 0.988 1 M CB 0.000 32.568 32.600 -0.053 0.000 1.302 2 T N 3.919 118.426 114.554 -0.078 0.000 2.749 2 T HA 0.340 4.742 4.350 0.087 0.000 0.295 2 T C -0.466 174.165 174.700 -0.115 0.000 0.936 2 T CA -0.208 61.832 62.100 -0.101 0.000 1.060 2 T CB 0.949 69.750 68.868 -0.111 0.000 0.904 2 T HN 0.155 nan 8.240 nan 0.000 0.500 3 K N 2.103 122.414 120.400 -0.148 0.000 2.237 3 K HA 0.473 4.846 4.320 0.087 0.000 0.270 3 K C 0.180 176.669 176.600 -0.185 0.000 1.015 3 K CA -0.648 55.540 56.287 -0.165 0.000 0.949 3 K CB 0.894 33.264 32.500 -0.216 0.000 0.976 3 K HN 0.464 nan 8.250 nan 0.000 0.472 4 V N -1.709 118.124 119.914 -0.134 0.000 2.815 4 V HA 0.740 4.912 4.120 0.087 0.000 0.314 4 V C -0.317 175.731 176.094 -0.076 0.000 1.064 4 V CA -0.431 61.803 62.300 -0.109 0.000 0.952 4 V CB 1.835 33.619 31.823 -0.065 0.000 1.020 4 V HN 0.795 nan 8.190 nan 0.000 0.439 5 S N 1.879 117.557 115.700 -0.037 0.000 2.973 5 S HA 0.871 5.394 4.470 0.087 0.000 0.317 5 S C -0.701 173.934 174.600 0.058 0.000 1.196 5 S CA 0.138 58.357 58.200 0.032 0.000 0.894 5 S CB 1.774 65.044 63.200 0.117 0.000 1.292 5 S HN 1.658 nan 8.310 nan 0.000 0.614 6 S N -0.541 115.209 115.700 0.083 0.000 2.567 6 S HA 0.535 5.057 4.470 0.087 0.000 0.270 6 S C -0.699 173.937 174.600 0.061 0.000 1.152 6 S CA -0.483 57.760 58.200 0.072 0.000 0.835 6 S CB 1.062 64.302 63.200 0.067 0.000 1.115 6 S HN 0.483 nan 8.310 nan 0.000 0.459 7 L N 2.291 123.528 121.223 0.023 0.000 2.354 7 L HA 0.552 4.944 4.340 0.087 0.000 0.212 7 L C 1.279 178.123 176.870 -0.044 0.000 1.091 7 L CA 1.313 56.137 54.840 -0.026 0.000 0.828 7 L CB -0.132 41.852 42.059 -0.124 0.000 0.973 7 L HN 0.804 nan 8.230 nan 0.000 0.461 8 G N -2.721 106.060 108.800 -0.032 0.000 2.451 8 G HA2 0.376 4.389 3.960 0.087 0.000 0.292 8 G HA3 0.376 4.389 3.960 0.087 0.000 0.292 8 G C -2.378 172.534 174.900 0.020 0.000 1.427 8 G CA -0.409 44.666 45.100 -0.042 0.000 0.792 8 G HN -0.284 nan 8.290 nan 0.000 0.498 9 Y N 0.158 120.352 120.300 -0.176 0.000 2.562 9 Y HA 0.670 5.272 4.550 0.087 0.000 0.345 9 Y C -2.412 173.291 175.900 -0.329 0.000 1.045 9 Y CA -1.859 56.104 58.100 -0.228 0.000 1.028 9 Y CB 2.683 41.022 38.460 -0.201 0.000 1.297 9 Y HN 0.523 nan 8.280 nan 0.000 0.463 10 P HA 0.239 nan 4.420 nan 0.000 0.270 10 P C -0.442 176.486 177.300 -0.620 0.000 1.223 10 P CA 0.118 62.797 63.100 -0.702 0.000 0.785 10 P CB 0.906 32.173 31.700 -0.723 0.000 0.923 11 R N 0.480 120.619 120.500 -0.602 0.000 2.265 11 R HA 0.201 4.593 4.340 0.087 0.000 0.194 11 R C 1.993 178.048 176.300 -0.407 0.000 0.931 11 R CA 0.327 56.063 56.100 -0.606 0.000 1.032 11 R CB -0.663 28.725 30.300 -1.521 0.000 0.980 11 R HN 0.360 nan 8.270 nan 0.000 0.497 12 L N 0.182 121.192 121.223 -0.356 0.000 2.013 12 L HA -0.074 4.319 4.340 0.087 0.000 0.212 12 L C 0.982 177.985 176.870 0.222 0.000 1.073 12 L CA 1.403 56.237 54.840 -0.010 0.000 0.753 12 L CB -0.869 41.179 42.059 -0.018 0.000 0.890 12 L HN 0.471 nan 8.230 nan 0.000 0.432 13 G N -0.672 108.250 108.800 0.203 0.000 2.712 13 G HA2 -0.209 3.803 3.960 0.087 0.000 0.686 13 G HA3 -0.209 3.803 3.960 0.087 0.000 0.686 13 G C 0.171 175.174 174.900 0.172 0.000 1.321 13 G CA -0.087 45.212 45.100 0.332 0.000 0.813 13 G HN 0.295 nan 8.290 nan 0.000 0.599 14 E N 0.278 120.573 120.200 0.158 0.000 2.209 14 E HA -0.147 4.256 4.350 0.087 0.000 0.196 14 E C 1.413 178.039 176.600 0.043 0.000 0.993 14 E CA 1.647 58.093 56.400 0.076 0.000 0.819 14 E CB -0.017 29.701 29.700 0.031 0.000 0.745 14 E HN 0.491 nan 8.360 nan 0.000 0.477 15 N N -0.558 118.175 118.700 0.055 0.000 2.433 15 N HA 0.221 5.014 4.740 0.087 0.000 0.270 15 N C -0.951 174.582 175.510 0.039 0.000 1.354 15 N CA -0.175 52.905 53.050 0.050 0.000 0.889 15 N CB 0.837 39.328 38.487 0.006 0.000 1.285 15 N HN -0.054 nan 8.380 nan 0.000 0.503 16 R N 0.491 121.024 120.500 0.055 0.000 3.770 16 R HA -0.186 4.206 4.340 0.087 0.000 0.305 16 R C 0.673 177.013 176.300 0.067 0.000 1.184 16 R CA 0.804 56.923 56.100 0.033 0.000 0.823 16 R CB -1.351 28.859 30.300 -0.149 0.000 1.285 16 R HN 0.467 nan 8.270 nan 0.000 0.499 17 E N -0.216 120.048 120.200 0.108 0.000 2.160 17 E HA -0.255 4.147 4.350 0.087 0.000 0.195 17 E C 1.608 178.280 176.600 0.121 0.000 0.991 17 E CA 1.717 58.170 56.400 0.088 0.000 0.810 17 E CB -0.367 29.390 29.700 0.096 0.000 0.742 17 E HN 0.711 nan 8.360 nan 0.000 0.466 18 W N 3.009 124.324 121.300 0.025 0.000 2.381 18 W HA -0.150 4.562 4.660 0.085 0.000 0.301 18 W C 2.474 178.945 176.519 -0.079 0.000 1.205 18 W CA 2.224 59.584 57.345 0.025 0.000 1.285 18 W CB -0.020 29.508 29.460 0.114 0.000 1.133 18 W HN 0.036 nan 8.180 nan 0.000 0.521 19 K N 0.768 121.242 120.400 0.123 0.000 2.026 19 K HA -0.228 4.144 4.320 0.087 0.000 0.208 19 K C 1.907 178.331 176.600 -0.294 0.000 1.048 19 K CA 2.028 58.226 56.287 -0.148 0.000 0.929 19 K CB -0.330 32.155 32.500 -0.025 0.000 0.713 19 K HN 0.113 nan 8.250 nan 0.000 0.439 20 K N 0.481 120.769 120.400 -0.188 0.000 2.148 20 K HA -0.128 4.244 4.320 0.087 0.000 0.204 20 K C 2.117 178.562 176.600 -0.258 0.000 1.050 20 K CA 1.054 57.226 56.287 -0.191 0.000 0.942 20 K CB -0.148 32.284 32.500 -0.114 0.000 0.724 20 K HN 0.110 nan 8.250 nan 0.000 0.446 21 L N 1.828 122.882 121.223 -0.283 0.000 2.023 21 L HA -0.082 4.310 4.340 0.087 0.000 0.205 21 L C 2.058 178.632 176.870 -0.493 0.000 1.073 21 L CA 1.338 55.993 54.840 -0.307 0.000 0.745 21 L CB -0.312 41.606 42.059 -0.235 0.000 0.900 21 L HN 0.225 nan 8.230 nan 0.000 0.435 22 I N -3.260 116.846 120.570 -0.774 0.000 2.315 22 I HA -0.166 4.056 4.170 0.087 0.000 0.248 22 I C 2.000 177.156 176.117 -1.603 0.000 1.117 22 I CA 1.421 62.013 61.300 -1.181 0.000 1.404 22 I CB -0.779 36.404 38.000 -1.362 0.000 1.071 22 I HN 0.320 nan 8.210 nan 0.000 0.419 23 E N 1.732 121.259 120.200 -1.121 0.000 2.150 23 E HA -0.127 4.276 4.350 0.087 0.000 0.193 23 E C 2.413 178.794 176.600 -0.365 0.000 0.985 23 E CA 1.240 57.236 56.400 -0.674 0.000 0.814 23 E CB -0.113 29.403 29.700 -0.306 0.000 0.752 23 E HN 0.696 nan 8.360 nan 0.000 0.466 24 A N 0.506 123.123 122.820 -0.338 0.000 1.968 24 A HA -0.181 4.191 4.320 0.087 0.000 0.217 24 A C 1.943 179.421 177.584 -0.177 0.000 1.169 24 A CA 0.966 52.885 52.037 -0.197 0.000 0.638 24 A CB -0.554 18.351 19.000 -0.159 0.000 0.812 24 A HN 0.381 nan 8.150 nan 0.000 0.446 25 Y N -0.509 119.551 120.300 -0.400 0.000 2.163 25 Y HA -0.214 4.388 4.550 0.087 0.000 0.288 25 Y C 2.115 177.913 175.900 -0.171 0.000 1.136 25 Y CA 1.774 59.684 58.100 -0.318 0.000 1.147 25 Y CB -0.289 37.920 38.460 -0.419 0.000 0.987 25 Y HN 0.457 nan 8.280 nan 0.000 0.509 26 W N -0.016 121.159 121.300 -0.208 0.000 2.374 26 W HA -0.064 4.649 4.660 0.087 0.000 0.288 26 W C 2.390 178.776 176.519 -0.222 0.000 1.218 26 W CA 1.219 58.410 57.345 -0.257 0.000 1.245 26 W CB -1.463 27.865 29.460 -0.219 0.000 1.126 26 W HN 0.270 nan 8.180 nan 0.000 0.545 27 A N -0.316 122.508 122.820 0.007 0.000 2.238 27 A HA 0.423 4.795 4.320 0.087 0.000 0.208 27 A C 1.825 179.363 177.584 -0.078 0.000 1.177 27 A CA 1.011 53.034 52.037 -0.023 0.000 0.804 27 A CB -0.837 18.152 19.000 -0.019 0.000 0.823 27 A HN 0.501 nan 8.150 nan 0.000 0.482 28 G N -0.770 107.937 108.800 -0.155 0.000 2.160 28 G HA2 -0.270 3.742 3.960 0.087 0.000 0.251 28 G HA3 -0.270 3.742 3.960 0.087 0.000 0.251 28 G C 0.646 175.478 174.900 -0.114 0.000 1.008 28 G CA 0.823 45.824 45.100 -0.166 0.000 0.724 28 G HN 0.394 nan 8.290 nan 0.000 0.514 29 K N -0.806 119.532 120.400 -0.104 0.000 2.358 29 K HA 0.555 4.928 4.320 0.087 0.000 0.197 29 K C 0.361 176.927 176.600 -0.057 0.000 1.025 29 K CA 0.291 56.536 56.287 -0.070 0.000 1.104 29 K CB 1.041 33.503 32.500 -0.064 0.000 0.855 29 K HN 0.366 nan 8.250 nan 0.000 0.531 30 V N 1.166 121.049 119.914 -0.052 0.000 2.668 30 V HA 0.228 4.400 4.120 0.087 0.000 0.304 30 V C -0.330 175.817 176.094 0.089 0.000 1.071 30 V CA -1.120 61.181 62.300 0.002 0.000 0.894 30 V CB 1.869 33.685 31.823 -0.011 0.000 1.008 30 V HN 0.249 nan 8.190 nan 0.000 0.425 31 S N 4.379 120.120 115.700 0.068 0.000 2.606 31 S HA 0.289 4.811 4.470 0.087 0.000 0.257 31 S C 1.018 175.707 174.600 0.148 0.000 1.327 31 S CA -0.281 57.986 58.200 0.111 0.000 0.984 31 S CB 0.831 64.070 63.200 0.065 0.000 0.941 31 S HN 0.682 nan 8.310 nan 0.000 0.576 32 K N 0.890 121.392 120.400 0.170 0.000 2.026 32 K HA -0.113 4.260 4.320 0.087 0.000 0.208 32 K C 2.161 178.750 176.600 -0.018 0.000 1.048 32 K CA 1.645 57.944 56.287 0.019 0.000 0.929 32 K CB -0.488 32.148 32.500 0.226 0.000 0.713 32 K HN 0.588 nan 8.250 nan 0.000 0.439 33 N N 0.885 119.656 118.700 0.118 0.000 2.104 33 N HA -0.172 4.621 4.740 0.087 0.000 0.190 33 N C 1.166 176.709 175.510 0.055 0.000 1.024 33 N CA 1.316 54.446 53.050 0.134 0.000 0.853 33 N CB -0.095 38.447 38.487 0.092 0.000 1.008 33 N HN 0.185 nan 8.380 nan 0.000 0.424 34 D N 0.626 121.025 120.400 -0.002 0.000 2.234 34 D HA -0.039 4.653 4.640 0.087 0.000 0.205 34 D C 1.913 178.152 176.300 -0.100 0.000 0.962 34 D CA 0.090 54.071 54.000 -0.031 0.000 0.855 34 D CB -0.114 40.673 40.800 -0.022 0.000 0.951 34 D HN 0.111 nan 8.370 nan 0.000 0.500 35 L N -0.070 121.020 121.223 -0.223 0.000 1.994 35 L HA -0.133 4.259 4.340 0.087 0.000 0.208 35 L C 1.795 178.462 176.870 -0.339 0.000 1.071 35 L CA 1.724 56.312 54.840 -0.419 0.000 0.745 35 L CB -0.773 40.774 42.059 -0.852 0.000 0.892 35 L HN -0.103 nan 8.230 nan 0.000 0.431 36 F N -0.166 119.742 119.950 -0.069 0.000 2.206 36 F HA 0.023 4.601 4.527 0.086 0.000 0.298 36 F C 2.509 178.280 175.800 -0.050 0.000 1.090 36 F CA 0.929 58.897 58.000 -0.053 0.000 1.323 36 F CB -1.525 37.441 39.000 -0.057 0.000 1.028 36 F HN 0.179 nan 8.300 nan 0.000 0.492 37 A N 0.519 123.403 122.820 0.107 0.000 1.877 37 A HA -0.044 4.328 4.320 0.087 0.000 0.216 37 A C 2.606 180.186 177.584 -0.006 0.000 1.186 37 A CA 1.839 53.897 52.037 0.035 0.000 0.620 37 A CB -1.570 17.441 19.000 0.018 0.000 0.822 37 A HN 0.390 nan 8.150 nan 0.000 0.443 38 G N -0.548 108.242 108.800 -0.018 0.000 2.421 38 G HA2 0.003 4.015 3.960 0.087 0.000 0.216 38 G HA3 0.003 4.015 3.960 0.087 0.000 0.216 38 G C 1.743 176.642 174.900 -0.001 0.000 1.171 38 G CA 1.459 46.545 45.100 -0.024 0.000 0.775 38 G HN 0.825 nan 8.290 nan 0.000 0.543 39 A N 0.428 123.276 122.820 0.046 0.000 1.972 39 A HA 0.012 4.384 4.320 0.087 0.000 0.219 39 A C 2.201 179.708 177.584 -0.128 0.000 1.169 39 A CA 2.091 54.208 52.037 0.133 0.000 0.635 39 A CB -0.359 18.823 19.000 0.303 0.000 0.810 39 A HN 0.411 nan 8.150 nan 0.000 0.446 40 K N -0.191 120.150 120.400 -0.098 0.000 2.025 40 K HA -0.154 4.218 4.320 0.087 0.000 0.207 40 K C 1.917 178.379 176.600 -0.230 0.000 1.049 40 K CA 1.472 57.655 56.287 -0.174 0.000 0.933 40 K CB -0.190 32.257 32.500 -0.089 0.000 0.714 40 K HN 0.604 nan 8.250 nan 0.000 0.438 41 E N 0.644 120.743 120.200 -0.169 0.000 2.097 41 E HA -0.238 4.164 4.350 0.087 0.000 0.196 41 E C 2.096 178.516 176.600 -0.300 0.000 1.000 41 E CA 1.521 57.814 56.400 -0.179 0.000 0.804 41 E CB -0.148 29.485 29.700 -0.111 0.000 0.740 41 E HN 0.298 nan 8.360 nan 0.000 0.454 42 L N 0.432 121.431 121.223 -0.374 0.000 1.994 42 L HA -0.197 4.195 4.340 0.087 0.000 0.208 42 L C 2.636 178.713 176.870 -1.323 0.000 1.071 42 L CA 1.301 55.698 54.840 -0.739 0.000 0.745 42 L CB -0.427 41.408 42.059 -0.374 0.000 0.892 42 L HN 0.054 nan 8.230 nan 0.000 0.431 43 R N 0.171 120.094 120.500 -0.961 0.000 2.080 43 R HA -0.172 4.221 4.340 0.087 0.000 0.236 43 R C 2.291 178.320 176.300 -0.452 0.000 1.137 43 R CA 1.409 57.064 56.100 -0.740 0.000 0.943 43 R CB -0.700 29.205 30.300 -0.658 0.000 0.846 43 R HN 0.325 nan 8.270 nan 0.000 0.431 44 L N 0.556 121.560 121.223 -0.364 0.000 2.079 44 L HA -0.213 4.179 4.340 0.087 0.000 0.210 44 L C 2.214 178.960 176.870 -0.206 0.000 1.081 44 L CA 1.592 56.294 54.840 -0.230 0.000 0.752 44 L CB -0.690 41.260 42.059 -0.183 0.000 0.896 44 L HN 0.238 nan 8.230 nan 0.000 0.433 45 D N 0.087 120.315 120.400 -0.286 0.000 2.123 45 D HA -0.220 4.472 4.640 0.087 0.000 0.196 45 D C 1.987 178.272 176.300 -0.024 0.000 0.992 45 D CA 1.455 55.351 54.000 -0.173 0.000 0.833 45 D CB 0.053 40.726 40.800 -0.211 0.000 0.954 45 D HN 0.145 nan 8.370 nan 0.000 0.455 46 F N 0.290 120.162 119.950 -0.130 0.000 2.206 46 F HA 0.085 4.664 4.527 0.087 0.000 0.298 46 F C 2.220 177.826 175.800 -0.323 0.000 1.090 46 F CA 0.404 58.235 58.000 -0.283 0.000 1.323 46 F CB -1.027 37.838 39.000 -0.224 0.000 1.028 46 F HN 0.049 nan 8.300 nan 0.000 0.492 47 L N -0.286 120.915 121.223 -0.036 0.000 2.083 47 L HA -0.229 4.163 4.340 0.087 0.000 0.209 47 L C 2.512 179.338 176.870 -0.074 0.000 1.083 47 L CA 1.259 56.057 54.840 -0.069 0.000 0.752 47 L CB -0.785 41.230 42.059 -0.073 0.000 0.899 47 L HN -0.038 nan 8.230 nan 0.000 0.433 48 K N -0.146 120.215 120.400 -0.066 0.000 2.057 48 K HA -0.133 4.239 4.320 0.087 0.000 0.206 48 K C 2.037 178.608 176.600 -0.048 0.000 1.050 48 K CA 1.085 57.341 56.287 -0.052 0.000 0.935 48 K CB -0.376 32.097 32.500 -0.045 0.000 0.715 48 K HN 0.396 nan 8.250 nan 0.000 0.439 49 K N 0.750 121.116 120.400 -0.056 0.000 2.063 49 K HA -0.168 4.205 4.320 0.087 0.000 0.208 49 K C 2.587 179.139 176.600 -0.079 0.000 1.048 49 K CA 1.827 58.080 56.287 -0.057 0.000 0.928 49 K CB -0.133 32.325 32.500 -0.070 0.000 0.713 49 K HN 0.334 nan 8.250 nan 0.000 0.442 50 Q N 0.380 120.102 119.800 -0.131 0.000 2.123 50 Q HA -0.109 4.283 4.340 0.087 0.000 0.199 50 Q C 2.117 178.087 176.000 -0.050 0.000 0.966 50 Q CA 0.746 56.488 55.803 -0.101 0.000 0.845 50 Q CB -0.026 28.633 28.738 -0.133 0.000 0.907 50 Q HN 0.171 nan 8.270 nan 0.000 0.439 51 L N 1.160 122.354 121.223 -0.048 0.000 2.017 51 L HA -0.168 4.225 4.340 0.087 0.000 0.208 51 L C 1.463 178.320 176.870 -0.022 0.000 1.073 51 L CA 1.703 56.524 54.840 -0.031 0.000 0.745 51 L CB -0.344 41.695 42.059 -0.034 0.000 0.894 51 L HN 0.128 nan 8.230 nan 0.000 0.432 52 N N 0.003 118.690 118.700 -0.021 0.000 2.453 52 N HA -0.038 4.754 4.740 0.087 0.000 0.183 52 N C 1.648 177.157 175.510 -0.001 0.000 1.041 52 N CA 1.098 54.142 53.050 -0.010 0.000 0.900 52 N CB -0.300 38.182 38.487 -0.008 0.000 0.961 52 N HN 0.534 nan 8.380 nan 0.000 0.443 53 A N -0.244 122.574 122.820 -0.002 0.000 2.119 53 A HA 0.358 4.730 4.320 0.087 0.000 0.216 53 A C 1.579 179.167 177.584 0.007 0.000 1.152 53 A CA 1.078 53.121 52.037 0.010 0.000 0.708 53 A CB -0.222 18.788 19.000 0.016 0.000 0.805 53 A HN 0.308 nan 8.150 nan 0.000 0.460 54 G N -2.039 106.760 108.800 -0.003 0.000 2.163 54 G HA2 -0.140 3.873 3.960 0.087 0.000 0.213 54 G HA3 -0.140 3.873 3.960 0.087 0.000 0.213 54 G C -0.092 174.800 174.900 -0.012 0.000 0.991 54 G CA -0.031 45.065 45.100 -0.007 0.000 0.653 54 G HN 0.324 nan 8.290 nan 0.000 0.518 55 L N 1.577 122.793 121.223 -0.011 0.000 2.525 55 L HA 0.233 4.625 4.340 0.087 0.000 0.278 55 L C 1.421 178.283 176.870 -0.014 0.000 1.218 55 L CA 0.973 55.806 54.840 -0.012 0.000 0.878 55 L CB 0.497 42.553 42.059 -0.005 0.000 1.127 55 L HN 0.205 nan 8.230 nan 0.000 0.492 56 D N 2.534 122.920 120.400 -0.023 0.000 2.301 56 D HA 0.106 4.798 4.640 0.087 0.000 0.206 56 D C 0.149 176.448 176.300 -0.001 0.000 0.979 56 D CA 0.888 54.876 54.000 -0.019 0.000 0.874 56 D CB 0.529 41.302 40.800 -0.045 0.000 0.968 56 D HN 0.275 nan 8.370 nan 0.000 0.510 57 L N 1.815 123.038 121.223 0.000 0.000 2.415 57 L HA 0.413 4.805 4.340 0.087 0.000 0.268 57 L C -0.677 176.222 176.870 0.049 0.000 0.984 57 L CA -0.372 54.489 54.840 0.035 0.000 0.853 57 L CB 2.330 44.404 42.059 0.026 0.000 1.215 57 L HN -0.279 nan 8.230 nan 0.000 0.419 58 I N 5.460 126.061 120.570 0.052 0.000 2.315 58 I HA 0.302 4.524 4.170 0.087 0.000 0.291 58 I C -1.936 174.219 176.117 0.064 0.000 1.006 58 I CA -1.957 59.368 61.300 0.041 0.000 1.265 58 I CB 1.660 39.670 38.000 0.016 0.000 1.387 58 I HN 0.280 nan 8.210 nan 0.000 0.475 59 P HA 0.060 nan 4.420 nan 0.000 0.267 59 P C -0.777 176.577 177.300 0.090 0.000 1.209 59 P CA 0.072 63.217 63.100 0.075 0.000 0.763 59 P CB 1.001 32.737 31.700 0.060 0.000 0.816 60 V N 3.119 123.103 119.914 0.116 0.000 2.483 60 V HA 0.668 4.840 4.120 0.087 0.000 0.297 60 V C 1.028 177.207 176.094 0.142 0.000 1.027 60 V CA 0.377 62.757 62.300 0.134 0.000 0.855 60 V CB 1.082 33.004 31.823 0.165 0.000 0.995 60 V HN 0.863 nan 8.190 nan 0.000 0.424 61 G N 3.517 112.404 108.800 0.145 0.000 3.033 61 G HA2 -0.147 3.865 3.960 0.087 0.000 0.208 61 G HA3 -0.147 3.865 3.960 0.087 0.000 0.208 61 G C 0.537 175.522 174.900 0.141 0.000 1.006 61 G CA 0.217 45.402 45.100 0.142 0.000 0.808 61 G HN 0.691 nan 8.290 nan 0.000 0.499 62 D N 0.362 120.833 120.400 0.117 0.000 2.347 62 D HA 0.100 4.792 4.640 0.087 0.000 0.213 62 D C 0.995 177.345 176.300 0.083 0.000 0.985 62 D CA -0.273 53.752 54.000 0.042 0.000 0.879 62 D CB 0.035 40.797 40.800 -0.063 0.000 0.919 62 D HN 0.343 nan 8.370 nan 0.000 0.526 63 F N 1.841 121.822 119.950 0.053 0.000 2.529 63 F HA 0.279 4.859 4.527 0.089 0.000 0.365 63 F C 0.130 176.008 175.800 0.129 0.000 1.102 63 F CA 0.161 58.214 58.000 0.088 0.000 1.271 63 F CB 1.035 40.124 39.000 0.149 0.000 1.120 63 F HN -0.163 nan 8.300 nan 0.000 0.579 64 S N 4.904 120.240 115.700 -0.607 0.000 2.607 64 S HA 0.475 4.998 4.470 0.087 0.000 0.273 64 S C -0.169 174.374 174.600 -0.095 0.000 1.148 64 S CA -0.873 57.229 58.200 -0.164 0.000 0.833 64 S CB 1.262 64.534 63.200 0.120 0.000 1.130 64 S HN 0.772 nan 8.310 nan 0.000 0.470 65 L N 2.065 123.428 121.223 0.234 0.000 2.628 65 L HA 0.381 4.774 4.340 0.087 0.000 0.229 65 L C 0.392 177.763 176.870 0.836 0.000 1.137 65 L CA 0.387 55.500 54.840 0.454 0.000 0.909 65 L CB -0.003 42.173 42.059 0.195 0.000 1.137 65 L HN 0.878 nan 8.230 nan 0.000 0.470 66 Y N -1.220 119.517 120.300 0.729 0.000 2.899 66 Y HA 0.076 4.676 4.550 0.084 0.000 0.253 66 Y C -0.915 175.300 175.900 0.525 0.000 1.042 66 Y CA -0.561 57.966 58.100 0.711 0.000 1.295 66 Y CB 0.938 39.821 38.460 0.704 0.000 1.396 66 Y HN 0.105 nan 8.280 nan 0.000 0.489 67 D N -1.057 119.746 120.400 0.671 0.000 2.769 67 D HA 0.165 4.857 4.640 0.087 0.000 0.219 67 D C 0.115 176.609 176.300 0.322 0.000 1.245 67 D CA -0.185 54.093 54.000 0.463 0.000 0.801 67 D CB 0.640 41.687 40.800 0.411 0.000 1.598 67 D HN 0.326 nan 8.370 nan 0.000 0.485 68 H N 3.189 122.398 119.070 0.233 0.000 2.502 68 H HA 0.039 4.646 4.556 0.085 0.000 0.283 68 H C 1.232 176.674 175.328 0.191 0.000 1.015 68 H CA 0.368 56.503 56.048 0.145 0.000 1.298 68 H CB 0.293 30.068 29.762 0.022 0.000 1.411 68 H HN 0.321 nan 8.280 nan 0.000 0.556 69 I N 0.967 121.511 120.570 -0.045 0.000 2.339 69 I HA -0.161 4.061 4.170 0.087 0.000 0.245 69 I C 2.594 178.861 176.117 0.250 0.000 1.096 69 I CA 0.338 61.778 61.300 0.232 0.000 1.408 69 I CB -0.927 37.284 38.000 0.352 0.000 1.092 69 I HN 0.208 nan 8.210 nan 0.000 0.423 70 L N 1.655 122.978 121.223 0.167 0.000 2.051 70 L HA -0.264 4.128 4.340 0.087 0.000 0.214 70 L C 2.005 178.917 176.870 0.070 0.000 1.076 70 L CA 2.026 56.894 54.840 0.046 0.000 0.758 70 L CB -0.904 41.081 42.059 -0.124 0.000 0.890 70 L HN 0.194 nan 8.230 nan 0.000 0.433 71 D N -0.616 119.894 120.400 0.182 0.000 2.149 71 D HA -0.202 4.490 4.640 0.087 0.000 0.198 71 D C 2.310 178.538 176.300 -0.120 0.000 0.990 71 D CA 1.652 55.744 54.000 0.153 0.000 0.839 71 D CB -0.177 40.706 40.800 0.138 0.000 0.948 71 D HN 0.411 nan 8.370 nan 0.000 0.460 72 L N 0.500 121.594 121.223 -0.215 0.000 2.072 72 L HA -0.118 4.274 4.340 0.087 0.000 0.205 72 L C 2.507 179.043 176.870 -0.558 0.000 1.079 72 L CA 0.696 55.113 54.840 -0.704 0.000 0.752 72 L CB -0.399 41.249 42.059 -0.686 0.000 0.906 72 L HN -0.049 nan 8.230 nan 0.000 0.436 73 S N 0.048 115.689 115.700 -0.098 0.000 2.359 73 S HA -0.188 4.335 4.470 0.087 0.000 0.222 73 S C 2.038 176.590 174.600 -0.081 0.000 1.038 73 S CA 1.574 59.790 58.200 0.027 0.000 1.051 73 S CB -0.473 62.776 63.200 0.080 0.000 0.944 73 S HN 0.170 nan 8.310 nan 0.000 0.433 74 V N 1.922 121.784 119.914 -0.087 0.000 2.343 74 V HA -0.217 3.955 4.120 0.087 0.000 0.247 74 V C 2.573 178.605 176.094 -0.104 0.000 1.051 74 V CA 1.999 64.259 62.300 -0.067 0.000 1.036 74 V CB -0.736 31.099 31.823 0.020 0.000 0.654 74 V HN 0.509 nan 8.190 nan 0.000 0.451 75 Q N -0.940 118.728 119.800 -0.221 0.000 2.167 75 Q HA -0.149 4.243 4.340 0.087 0.000 0.202 75 Q C 1.705 177.610 176.000 -0.158 0.000 0.970 75 Q CA 1.583 57.216 55.803 -0.283 0.000 0.855 75 Q CB 0.067 28.494 28.738 -0.519 0.000 0.911 75 Q HN 0.603 nan 8.270 nan 0.000 0.438 76 F N 0.166 120.016 119.950 -0.167 0.000 2.695 76 F HA 0.266 4.840 4.527 0.078 0.000 0.303 76 F C 0.718 176.422 175.800 -0.160 0.000 1.091 76 F CA 0.044 57.929 58.000 -0.191 0.000 1.300 76 F CB -0.281 38.566 39.000 -0.255 0.000 1.071 76 F HN 0.187 nan 8.300 nan 0.000 0.578 77 N N 0.847 119.560 118.700 0.022 0.000 2.869 77 N HA -0.169 4.624 4.740 0.087 0.000 0.249 77 N C -0.581 174.877 175.510 -0.087 0.000 1.104 77 N CA -0.030 53.003 53.050 -0.028 0.000 0.760 77 N CB -0.689 37.789 38.487 -0.016 0.000 1.108 77 N HN -0.075 nan 8.380 nan 0.000 0.555 78 I N 2.363 122.860 120.570 -0.121 0.000 2.204 78 I HA 0.272 4.494 4.170 0.087 0.000 0.285 78 I C 0.503 176.538 176.117 -0.136 0.000 1.112 78 I CA 0.095 61.245 61.300 -0.249 0.000 1.502 78 I CB -0.788 36.979 38.000 -0.387 0.000 1.499 78 I HN 0.136 nan 8.210 nan 0.000 0.661 79 I N 5.050 125.573 120.570 -0.078 0.000 2.359 79 I HA 0.314 4.536 4.170 0.087 0.000 0.294 79 I C -2.065 174.080 176.117 0.047 0.000 0.987 79 I CA -1.988 59.302 61.300 -0.017 0.000 1.225 79 I CB 1.501 39.500 38.000 -0.001 0.000 1.366 79 I HN 0.074 nan 8.210 nan 0.000 0.466 80 P HA -0.086 nan 4.420 nan 0.000 0.263 80 P C 0.799 178.181 177.300 0.137 0.000 1.175 80 P CA 0.023 63.221 63.100 0.164 0.000 0.761 80 P CB 0.603 32.495 31.700 0.320 0.000 0.794 81 K N 4.550 124.985 120.400 0.059 0.000 2.127 81 K HA -0.238 4.134 4.320 0.087 0.000 0.208 81 K C 1.884 178.471 176.600 -0.022 0.000 1.047 81 K CA 2.184 58.484 56.287 0.023 0.000 0.927 81 K CB -0.848 31.658 32.500 0.010 0.000 0.716 81 K HN 0.661 nan 8.250 nan 0.000 0.450 82 R N -1.611 118.825 120.500 -0.107 0.000 2.241 82 R HA -0.030 4.362 4.340 0.087 0.000 0.224 82 R C 1.425 177.505 176.300 -0.366 0.000 1.101 82 R CA 1.844 57.779 56.100 -0.275 0.000 0.995 82 R CB -0.393 29.654 30.300 -0.422 0.000 0.870 82 R HN 0.448 nan 8.270 nan 0.000 0.463 83 F N 0.440 120.380 119.950 -0.017 0.000 2.678 83 F HA 0.436 5.014 4.527 0.084 0.000 0.305 83 F C 2.110 177.904 175.800 -0.011 0.000 1.090 83 F CA -0.145 57.845 58.000 -0.016 0.000 1.272 83 F CB 0.523 39.508 39.000 -0.026 0.000 1.060 83 F HN 0.071 nan 8.300 nan 0.000 0.576 84 A N 0.675 123.567 122.820 0.120 0.000 2.186 84 A HA -0.129 4.244 4.320 0.087 0.000 0.219 84 A C 2.271 179.892 177.584 0.062 0.000 1.159 84 A CA 1.997 54.081 52.037 0.078 0.000 0.680 84 A CB -0.821 18.205 19.000 0.043 0.000 0.787 84 A HN 0.318 nan 8.150 nan 0.000 0.467 85 K N 0.043 120.480 120.400 0.062 0.000 2.284 85 K HA 0.143 4.516 4.320 0.087 0.000 0.198 85 K C 0.670 177.307 176.600 0.061 0.000 1.048 85 K CA 0.618 56.933 56.287 0.048 0.000 0.987 85 K CB -0.226 32.293 32.500 0.031 0.000 0.800 85 K HN 0.556 nan 8.250 nan 0.000 0.486 86 E N 1.291 121.547 120.200 0.094 0.000 2.418 86 E HA 0.164 4.567 4.350 0.087 0.000 0.261 86 E C -2.302 174.338 176.600 0.067 0.000 1.070 86 E CA -2.209 54.247 56.400 0.094 0.000 0.931 86 E CB 0.255 30.038 29.700 0.138 0.000 0.954 86 E HN 0.235 nan 8.360 nan 0.000 0.439 87 P HA 0.170 nan 4.420 nan 0.000 0.275 87 P C -0.355 176.969 177.300 0.039 0.000 1.228 87 P CA -0.328 62.798 63.100 0.044 0.000 0.786 87 P CB 0.354 32.081 31.700 0.046 0.000 0.927 88 I N 3.409 123.994 120.570 0.024 0.000 2.260 88 I HA 0.194 4.417 4.170 0.087 0.000 0.297 88 I C 0.550 176.675 176.117 0.013 0.000 1.143 88 I CA 0.556 61.864 61.300 0.013 0.000 1.271 88 I CB -0.959 37.041 38.000 0.001 0.000 1.461 88 I HN 0.368 nan 8.210 nan 0.000 0.530 89 D N 3.529 123.946 120.400 0.028 0.000 2.798 89 D HA 0.226 4.918 4.640 0.087 0.000 0.308 89 D C 0.872 177.201 176.300 0.049 0.000 1.187 89 D CA -0.760 53.263 54.000 0.038 0.000 1.033 89 D CB 0.395 41.235 40.800 0.066 0.000 1.445 89 D HN 0.145 nan 8.370 nan 0.000 0.550 90 I N 0.002 120.612 120.570 0.068 0.000 2.493 90 I HA -0.192 4.031 4.170 0.087 0.000 0.254 90 I C 0.600 176.770 176.117 0.088 0.000 1.160 90 I CA 1.343 62.641 61.300 -0.002 0.000 1.445 90 I CB 0.045 38.058 38.000 0.022 0.000 1.086 90 I HN 0.220 nan 8.210 nan 0.000 0.433 91 D N 0.565 121.092 120.400 0.212 0.000 2.178 91 D HA -0.167 4.525 4.640 0.087 0.000 0.202 91 D C 1.964 178.357 176.300 0.156 0.000 0.974 91 D CA 1.029 55.200 54.000 0.284 0.000 0.841 91 D CB -0.124 40.824 40.800 0.247 0.000 0.953 91 D HN 0.339 nan 8.370 nan 0.000 0.478 92 L N -0.122 121.142 121.223 0.069 0.000 2.109 92 L HA -0.123 4.269 4.340 0.087 0.000 0.207 92 L C 2.236 179.016 176.870 -0.150 0.000 1.086 92 L CA 1.335 56.146 54.840 -0.048 0.000 0.760 92 L CB -0.771 41.269 42.059 -0.032 0.000 0.910 92 L HN -0.031 nan 8.230 nan 0.000 0.437 93 Y N -0.341 119.831 120.300 -0.214 0.000 2.081 93 Y HA -0.340 4.263 4.550 0.088 0.000 0.280 93 Y C 2.074 177.791 175.900 -0.306 0.000 1.163 93 Y CA 2.362 60.277 58.100 -0.308 0.000 1.135 93 Y CB -0.455 37.760 38.460 -0.408 0.000 0.970 93 Y HN 0.227 nan 8.280 nan 0.000 0.498 94 F N -0.355 119.639 119.950 0.072 0.000 2.407 94 F HA 0.020 4.599 4.527 0.087 0.000 0.299 94 F C 2.458 178.082 175.800 -0.294 0.000 1.097 94 F CA 0.640 58.590 58.000 -0.083 0.000 1.422 94 F CB -1.265 37.851 39.000 0.194 0.000 1.067 94 F HN 0.175 nan 8.300 nan 0.000 0.539 95 A N 0.506 123.271 122.820 -0.092 0.000 1.902 95 A HA -0.138 4.235 4.320 0.087 0.000 0.217 95 A C 2.289 179.586 177.584 -0.478 0.000 1.181 95 A CA 1.533 53.448 52.037 -0.203 0.000 0.623 95 A CB -0.999 17.907 19.000 -0.156 0.000 0.818 95 A HN 0.343 nan 8.150 nan 0.000 0.443 96 I N -0.248 119.856 120.570 -0.778 0.000 2.226 96 I HA -0.276 3.947 4.170 0.087 0.000 0.245 96 I C 2.934 178.778 176.117 -0.455 0.000 1.100 96 I CA 1.106 61.957 61.300 -0.748 0.000 1.374 96 I CB -0.382 37.217 38.000 -0.670 0.000 1.057 96 I HN 0.358 nan 8.210 nan 0.000 0.413 97 A N 0.643 123.128 122.820 -0.558 0.000 1.930 97 A HA -0.114 4.258 4.320 0.087 0.000 0.217 97 A C 2.338 179.635 177.584 -0.478 0.000 1.175 97 A CA 1.505 53.120 52.037 -0.704 0.000 0.627 97 A CB -0.266 17.907 19.000 -1.377 0.000 0.815 97 A HN 0.379 nan 8.150 nan 0.000 0.443 98 R N -2.407 117.866 120.500 -0.378 0.000 2.453 98 R HA 0.357 4.750 4.340 0.087 0.000 0.233 98 R C 0.438 176.649 176.300 -0.148 0.000 0.895 98 R CA 0.444 56.373 56.100 -0.285 0.000 1.028 98 R CB 0.719 30.742 30.300 -0.461 0.000 1.255 98 R HN 0.665 nan 8.270 nan 0.000 0.571 99 G N 2.495 111.250 108.800 -0.075 0.000 2.850 99 G HA2 -0.239 3.773 3.960 0.087 0.000 0.686 99 G HA3 -0.239 3.773 3.960 0.087 0.000 0.686 99 G C -0.741 174.188 174.900 0.048 0.000 1.164 99 G CA -0.268 44.874 45.100 0.070 0.000 0.826 99 G HN 0.402 nan 8.290 nan 0.000 0.586 100 N N -0.348 118.430 118.700 0.131 0.000 2.725 100 N HA 0.801 5.594 4.740 0.087 0.000 0.312 100 N C 0.393 175.929 175.510 0.043 0.000 1.295 100 N CA 0.029 53.126 53.050 0.079 0.000 0.914 100 N CB 0.431 38.990 38.487 0.121 0.000 1.177 100 N HN 1.270 nan 8.380 nan 0.000 0.601 101 K N -1.486 118.931 120.400 0.028 0.000 2.155 101 K HA 0.564 4.937 4.320 0.087 0.000 0.240 101 K C 0.672 177.271 176.600 -0.001 0.000 1.193 101 K CA 0.278 56.571 56.287 0.009 0.000 1.104 101 K CB -1.681 30.824 32.500 0.008 0.000 1.558 101 K HN 0.957 nan 8.250 nan 0.000 0.313 102 E N 0.078 120.268 120.200 -0.018 0.000 1.187 102 E HA -0.048 4.354 4.350 0.087 0.000 0.210 102 E C -0.263 176.280 176.600 -0.096 0.000 1.048 102 E CA 0.357 56.729 56.400 -0.047 0.000 0.985 102 E CB -1.118 28.557 29.700 -0.041 0.000 4.809 102 E HN 0.676 nan 8.360 nan 0.000 0.633 103 N N -0.159 118.475 118.700 -0.110 0.000 2.258 103 N HA 0.580 5.372 4.740 0.087 0.000 0.299 103 N C -0.153 175.315 175.510 -0.070 0.000 1.047 103 N CA -0.225 52.689 53.050 -0.227 0.000 0.814 103 N CB 3.185 41.273 38.487 -0.666 0.000 1.413 103 N HN 0.692 nan 8.380 nan 0.000 0.478 104 V N 0.204 120.078 119.914 -0.067 0.000 3.133 104 V HA 0.734 4.907 4.120 0.087 0.000 0.305 104 V C 0.693 176.849 176.094 0.103 0.000 1.084 104 V CA -0.819 61.485 62.300 0.007 0.000 1.089 104 V CB 0.688 32.500 31.823 -0.018 0.000 1.073 104 V HN 0.712 nan 8.190 nan 0.000 0.477 105 A N 2.873 125.732 122.820 0.065 0.000 2.406 105 A HA 0.506 4.879 4.320 0.087 0.000 0.243 105 A C 0.798 178.405 177.584 0.039 0.000 1.082 105 A CA 0.057 52.123 52.037 0.049 0.000 0.786 105 A CB -0.208 18.759 19.000 -0.055 0.000 1.029 105 A HN 1.136 nan 8.150 nan 0.000 0.495 106 S N 0.238 115.945 115.700 0.011 0.000 2.576 106 S HA 0.255 4.777 4.470 0.087 0.000 0.272 106 S C 0.833 175.394 174.600 -0.065 0.000 1.352 106 S CA -0.252 57.939 58.200 -0.015 0.000 1.021 106 S CB 0.292 63.461 63.200 -0.051 0.000 0.887 106 S HN 0.766 nan 8.310 nan 0.000 0.542 107 S N 2.072 117.731 115.700 -0.070 0.000 2.632 107 S HA 0.499 5.021 4.470 0.087 0.000 0.267 107 S C 0.094 174.596 174.600 -0.164 0.000 1.276 107 S CA -0.610 57.523 58.200 -0.111 0.000 0.998 107 S CB 0.552 63.694 63.200 -0.096 0.000 0.953 107 S HN 0.686 nan 8.310 nan 0.000 0.547 108 M N 0.670 120.145 119.600 -0.208 0.000 2.535 108 M HA 0.688 5.220 4.480 0.087 0.000 0.314 108 M C -1.284 174.845 176.300 -0.284 0.000 1.153 108 M CA -0.737 54.397 55.300 -0.276 0.000 0.924 108 M CB 1.720 34.182 32.600 -0.230 0.000 1.710 108 M HN 0.303 nan 8.290 nan 0.000 0.451 109 K N 0.777 120.899 120.400 -0.463 0.000 2.395 109 K HA 0.509 4.882 4.320 0.087 0.000 0.245 109 K C -0.914 175.643 176.600 -0.073 0.000 1.017 109 K CA -1.092 55.036 56.287 -0.265 0.000 0.852 109 K CB 2.507 34.841 32.500 -0.277 0.000 1.311 109 K HN 0.538 nan 8.250 nan 0.000 0.452 110 K N 1.102 121.512 120.400 0.017 0.000 2.401 110 K HA -0.007 4.365 4.320 0.087 0.000 0.278 110 K C -0.533 176.252 176.600 0.309 0.000 1.018 110 K CA -0.402 55.863 56.287 -0.036 0.000 0.981 110 K CB 0.286 32.718 32.500 -0.113 0.000 0.933 110 K HN 0.586 nan 8.250 nan 0.000 0.477 111 W N 5.285 126.730 121.300 0.242 0.000 2.351 111 W HA 0.134 4.858 4.660 0.106 0.000 0.421 111 W C -0.578 176.139 176.519 0.330 0.000 1.000 111 W CA -0.614 56.996 57.345 0.441 0.000 1.610 111 W CB -1.010 28.905 29.460 0.757 0.000 1.700 111 W HN 0.822 nan 8.180 nan 0.000 0.351 112 F N 0.490 120.334 119.950 -0.177 0.000 2.192 112 F HA -0.469 4.127 4.527 0.114 0.000 0.317 112 F C 1.509 177.156 175.800 -0.254 0.000 1.454 112 F CA 2.267 60.097 58.000 -0.284 0.000 0.932 112 F CB -1.259 37.497 39.000 -0.407 0.000 4.108 112 F HN 0.426 nan 8.300 nan 0.000 0.138 113 N N 0.666 119.269 118.700 -0.161 0.000 2.453 113 N HA 0.218 5.010 4.740 0.087 0.000 0.270 113 N C -0.430 174.917 175.510 -0.271 0.000 1.195 113 N CA 0.565 53.495 53.050 -0.200 0.000 0.902 113 N CB -0.144 38.231 38.487 -0.186 0.000 1.186 113 N HN 0.797 nan 8.380 nan 0.000 0.510 114 T N -4.955 109.457 114.554 -0.237 0.000 2.922 114 T HA 0.425 4.827 4.350 0.087 0.000 0.281 114 T C 1.079 175.779 174.700 -0.001 0.000 1.005 114 T CA -0.107 61.897 62.100 -0.161 0.000 0.982 114 T CB 0.334 69.105 68.868 -0.163 0.000 1.158 114 T HN 0.153 nan 8.240 nan 0.000 0.566 115 N N -1.173 117.577 118.700 0.083 0.000 2.322 115 N HA 0.171 4.963 4.740 0.087 0.000 0.194 115 N C -0.063 175.561 175.510 0.190 0.000 1.126 115 N CA -0.291 52.803 53.050 0.075 0.000 0.845 115 N CB -0.474 38.035 38.487 0.037 0.000 0.976 115 N HN 0.693 nan 8.380 nan 0.000 0.475 116 Y N 1.299 121.704 120.300 0.175 0.000 2.310 116 Y HA 0.408 5.007 4.550 0.081 0.000 0.326 116 Y C -0.079 175.953 175.900 0.219 0.000 1.151 116 Y CA -1.038 57.232 58.100 0.283 0.000 1.195 116 Y CB 0.742 39.430 38.460 0.379 0.000 1.210 116 Y HN 0.325 nan 8.280 nan 0.000 0.483 117 H N 6.657 125.503 119.070 -0.374 0.000 2.505 117 H HA 0.174 4.782 4.556 0.087 0.000 0.338 117 H C -1.093 174.011 175.328 -0.374 0.000 1.057 117 H CA -0.610 55.321 56.048 -0.196 0.000 1.202 117 H CB 1.205 30.870 29.762 -0.161 0.000 1.466 117 H HN 0.787 nan 8.280 nan 0.000 0.499 118 Y N 1.019 121.341 120.300 0.037 0.000 2.432 118 Y HA 0.452 5.046 4.550 0.073 0.000 0.322 118 Y C -0.442 175.516 175.900 0.097 0.000 1.246 118 Y CA -1.316 56.834 58.100 0.083 0.000 1.268 118 Y CB 0.877 39.510 38.460 0.288 0.000 1.276 118 Y HN 0.271 nan 8.280 nan 0.000 0.499 119 I N 3.517 124.143 120.570 0.093 0.000 2.304 119 I HA 0.167 4.389 4.170 0.087 0.000 0.291 119 I C -0.378 175.754 176.117 0.024 0.000 1.018 119 I CA -0.955 60.329 61.300 -0.026 0.000 1.260 119 I CB 0.806 38.807 38.000 0.003 0.000 1.390 119 I HN 0.502 nan 8.210 nan 0.000 0.475 120 V N 9.673 129.515 119.914 -0.121 0.000 2.470 120 V HA 0.129 4.301 4.120 0.087 0.000 0.276 120 V C -1.871 174.271 176.094 0.081 0.000 1.040 120 V CA -1.200 61.102 62.300 0.004 0.000 1.008 120 V CB 0.444 32.215 31.823 -0.087 0.000 0.990 120 V HN 0.592 nan 8.190 nan 0.000 0.477 121 P HA 0.141 nan 4.420 nan 0.000 0.266 121 P C -0.468 176.926 177.300 0.157 0.000 1.195 121 P CA 0.030 63.203 63.100 0.120 0.000 0.768 121 P CB 0.427 32.174 31.700 0.079 0.000 0.838 122 E N 2.158 122.421 120.200 0.105 0.000 2.255 122 E HA 0.158 4.560 4.350 0.087 0.000 0.245 122 E C -0.905 175.782 176.600 0.146 0.000 0.909 122 E CA -0.476 56.010 56.400 0.144 0.000 0.747 122 E CB 0.465 30.221 29.700 0.095 0.000 1.215 122 E HN 0.398 nan 8.360 nan 0.000 0.424 123 W N 2.158 123.478 121.300 0.034 0.000 2.202 123 W HA 0.187 4.918 4.660 0.119 0.000 0.332 123 W C 1.131 177.671 176.519 0.035 0.000 1.263 123 W CA 0.065 57.434 57.345 0.041 0.000 1.223 123 W CB 0.935 30.410 29.460 0.025 0.000 1.128 123 W HN 0.465 nan 8.180 nan 0.000 0.573 124 S N -0.184 115.658 115.700 0.236 0.000 3.939 124 S HA 0.580 5.103 4.470 0.087 0.000 0.302 124 S C 0.997 175.681 174.600 0.140 0.000 1.108 124 S CA -0.165 58.127 58.200 0.153 0.000 1.225 124 S CB 0.443 63.696 63.200 0.089 0.000 1.467 124 S HN 0.332 nan 8.310 nan 0.000 0.735 125 K N 0.577 121.030 120.400 0.089 0.000 2.366 125 K HA 0.206 4.579 4.320 0.087 0.000 0.198 125 K C 1.102 177.740 176.600 0.064 0.000 1.044 125 K CA 1.065 57.397 56.287 0.075 0.000 0.973 125 K CB -1.402 31.128 32.500 0.051 0.000 0.767 125 K HN 0.753 nan 8.250 nan 0.000 0.475 126 Q N 0.761 120.589 119.800 0.047 0.000 2.368 126 Q HA -0.029 4.363 4.340 0.087 0.000 0.331 126 Q C -0.953 175.059 176.000 0.019 0.000 1.086 126 Q CA -0.094 55.718 55.803 0.016 0.000 1.031 126 Q CB -0.041 28.682 28.738 -0.026 0.000 1.125 126 Q HN 0.180 nan 8.270 nan 0.000 0.389 127 R N 3.549 124.058 120.500 0.014 0.000 2.234 127 R HA 0.322 4.714 4.340 0.087 0.000 0.324 127 R C -2.390 173.906 176.300 -0.007 0.000 1.054 127 R CA -1.489 54.622 56.100 0.017 0.000 0.912 127 R CB 0.169 30.481 30.300 0.020 0.000 1.030 127 R HN 0.673 nan 8.270 nan 0.000 0.455 128 P HA 0.104 nan 4.420 nan 0.000 0.267 128 P C -0.584 176.703 177.300 -0.021 0.000 1.209 128 P CA 0.065 63.141 63.100 -0.040 0.000 0.763 128 P CB 0.338 32.014 31.700 -0.041 0.000 0.816 129 K N 2.005 122.402 120.400 -0.006 0.000 2.532 129 K HA 0.472 4.844 4.320 0.087 0.000 0.265 129 K C -1.174 175.444 176.600 0.031 0.000 0.948 129 K CA -1.012 55.277 56.287 0.003 0.000 0.842 129 K CB 1.166 33.667 32.500 0.002 0.000 1.392 129 K HN 0.092 nan 8.250 nan 0.000 0.436 130 L N 2.726 123.966 121.223 0.028 0.000 2.418 130 L HA 0.110 4.502 4.340 0.087 0.000 0.274 130 L C 0.362 177.236 176.870 0.007 0.000 1.135 130 L CA -0.348 54.514 54.840 0.037 0.000 0.870 130 L CB 0.270 42.340 42.059 0.018 0.000 1.154 130 L HN 0.718 nan 8.230 nan 0.000 0.462 131 N N 2.265 120.961 118.700 -0.007 0.000 2.254 131 N HA 0.034 4.826 4.740 0.087 0.000 0.190 131 N C -0.326 175.163 175.510 -0.035 0.000 1.107 131 N CA 0.086 53.123 53.050 -0.021 0.000 0.869 131 N CB 0.191 38.663 38.487 -0.025 0.000 0.983 131 N HN 0.755 nan 8.380 nan 0.000 0.487 132 N N -1.354 117.320 118.700 -0.044 0.000 3.378 132 N HA 0.169 4.962 4.740 0.087 0.000 0.294 132 N C -1.367 174.112 175.510 -0.050 0.000 1.544 132 N CA -0.649 52.369 53.050 -0.053 0.000 0.872 132 N CB 0.166 38.610 38.487 -0.072 0.000 1.670 132 N HN -0.304 nan 8.380 nan 0.000 0.551 133 N N -0.638 118.031 118.700 -0.052 0.000 2.541 133 N HA 0.153 4.946 4.740 0.087 0.000 0.297 133 N C 0.556 176.043 175.510 -0.039 0.000 1.503 133 N CA -0.230 52.797 53.050 -0.039 0.000 0.919 133 N CB 0.838 39.311 38.487 -0.024 0.000 1.305 133 N HN 0.572 nan 8.380 nan 0.000 0.501 134 R N 0.487 120.951 120.500 -0.059 0.000 2.133 134 R HA -0.171 4.221 4.340 0.087 0.000 0.245 134 R C 1.520 177.815 176.300 -0.009 0.000 1.137 134 R CA 1.570 57.640 56.100 -0.049 0.000 0.947 134 R CB -0.095 30.161 30.300 -0.073 0.000 0.865 134 R HN 0.170 nan 8.270 nan 0.000 0.437 135 L N 0.640 121.858 121.223 -0.009 0.000 2.131 135 L HA -0.057 4.335 4.340 0.087 0.000 0.206 135 L C 2.175 179.093 176.870 0.081 0.000 1.087 135 L CA 1.227 56.090 54.840 0.037 0.000 0.767 135 L CB -0.543 41.529 42.059 0.022 0.000 0.917 135 L HN 0.306 nan 8.230 nan 0.000 0.441 136 L N -0.430 120.828 121.223 0.059 0.000 2.017 136 L HA -0.199 4.193 4.340 0.087 0.000 0.208 136 L C 2.045 178.981 176.870 0.110 0.000 1.073 136 L CA 1.885 56.788 54.840 0.105 0.000 0.745 136 L CB -0.962 41.134 42.059 0.062 0.000 0.894 136 L HN 0.282 nan 8.230 nan 0.000 0.432 137 D N -0.307 120.120 120.400 0.044 0.000 2.106 137 D HA -0.234 4.458 4.640 0.087 0.000 0.191 137 D C 2.349 178.661 176.300 0.019 0.000 0.997 137 D CA 1.857 55.863 54.000 0.010 0.000 0.834 137 D CB -0.405 40.378 40.800 -0.028 0.000 0.956 137 D HN 0.363 nan 8.370 nan 0.000 0.448 138 L N -0.283 120.967 121.223 0.044 0.000 2.042 138 L HA -0.240 4.153 4.340 0.087 0.000 0.210 138 L C 2.495 179.413 176.870 0.079 0.000 1.076 138 L CA 1.175 56.047 54.840 0.052 0.000 0.749 138 L CB -0.465 41.647 42.059 0.089 0.000 0.893 138 L HN 0.094 nan 8.230 nan 0.000 0.432 139 Y N 0.517 120.821 120.300 0.006 0.000 2.114 139 Y HA -0.248 4.355 4.550 0.088 0.000 0.284 139 Y C 2.323 178.222 175.900 -0.002 0.000 1.143 139 Y CA 1.540 59.647 58.100 0.011 0.000 1.135 139 Y CB -0.340 38.135 38.460 0.025 0.000 0.980 139 Y HN -0.020 nan 8.280 nan 0.000 0.499 140 L N 0.300 121.452 121.223 -0.119 0.000 2.083 140 L HA -0.214 4.178 4.340 0.087 0.000 0.209 140 L C 2.619 179.376 176.870 -0.188 0.000 1.083 140 L CA 1.899 56.615 54.840 -0.206 0.000 0.752 140 L CB -0.613 41.410 42.059 -0.059 0.000 0.899 140 L HN 0.341 nan 8.230 nan 0.000 0.433 141 E N 0.360 120.486 120.200 -0.123 0.000 2.051 141 E HA -0.264 4.139 4.350 0.087 0.000 0.192 141 E C 2.216 178.735 176.600 -0.135 0.000 0.991 141 E CA 1.280 57.612 56.400 -0.113 0.000 0.799 141 E CB -0.002 29.645 29.700 -0.090 0.000 0.748 141 E HN 0.471 nan 8.360 nan 0.000 0.449 142 A N 1.401 124.134 122.820 -0.144 0.000 1.898 142 A HA -0.154 4.218 4.320 0.087 0.000 0.216 142 A C 2.151 179.628 177.584 -0.180 0.000 1.181 142 A CA 1.276 53.232 52.037 -0.135 0.000 0.620 142 A CB -0.488 18.466 19.000 -0.078 0.000 0.819 142 A HN 0.192 nan 8.150 nan 0.000 0.442 143 R N -0.562 119.754 120.500 -0.306 0.000 2.133 143 R HA -0.213 4.179 4.340 0.087 0.000 0.247 143 R C 2.147 178.348 176.300 -0.165 0.000 1.151 143 R CA 1.660 57.588 56.100 -0.288 0.000 0.971 143 R CB -0.304 29.752 30.300 -0.406 0.000 0.866 143 R HN 0.796 nan 8.270 nan 0.000 0.447 144 E N 0.362 120.476 120.200 -0.145 0.000 2.274 144 E HA -0.109 4.293 4.350 0.087 0.000 0.194 144 E C 1.449 177.997 176.600 -0.086 0.000 0.996 144 E CA 0.746 57.085 56.400 -0.102 0.000 0.840 144 E CB 0.379 30.023 29.700 -0.093 0.000 0.772 144 E HN 0.139 nan 8.360 nan 0.000 0.491 145 V N -0.048 119.812 119.914 -0.091 0.000 2.672 145 V HA -0.072 4.101 4.120 0.087 0.000 0.242 145 V C 2.011 178.067 176.094 -0.063 0.000 1.059 145 V CA 1.136 63.391 62.300 -0.076 0.000 1.081 145 V CB 1.048 32.822 31.823 -0.082 0.000 0.752 145 V HN 0.398 nan 8.190 nan 0.000 0.472 146 V N -2.902 116.972 119.914 -0.066 0.000 3.612 146 V HA 0.740 4.913 4.120 0.087 0.000 0.268 146 V C 1.123 177.193 176.094 -0.040 0.000 1.365 146 V CA 0.744 63.016 62.300 -0.046 0.000 1.044 146 V CB -0.154 31.649 31.823 -0.034 0.000 0.820 146 V HN 0.709 nan 8.190 nan 0.000 0.444 147 G N 1.558 110.318 108.800 -0.065 0.000 2.531 147 G HA2 -0.339 3.673 3.960 0.087 0.000 0.274 147 G HA3 -0.339 3.673 3.960 0.087 0.000 0.274 147 G C 0.282 175.168 174.900 -0.024 0.000 1.159 147 G CA 0.601 45.667 45.100 -0.056 0.000 0.969 147 G HN 0.392 nan 8.290 nan 0.000 0.554 148 D N 1.071 121.480 120.400 0.015 0.000 2.392 148 D HA 0.028 4.720 4.640 0.087 0.000 0.228 148 D C 2.253 178.607 176.300 0.091 0.000 1.003 148 D CA 0.971 55.011 54.000 0.065 0.000 0.917 148 D CB -0.036 40.799 40.800 0.060 0.000 0.890 148 D HN 0.560 nan 8.370 nan 0.000 0.532 149 K N 0.403 120.838 120.400 0.059 0.000 2.432 149 K HA 0.126 4.498 4.320 0.087 0.000 0.196 149 K C 0.874 177.528 176.600 0.091 0.000 1.038 149 K CA -0.006 56.319 56.287 0.064 0.000 0.986 149 K CB 0.382 32.899 32.500 0.028 0.000 0.782 149 K HN -0.037 nan 8.250 nan 0.000 0.485 150 A N 2.760 125.644 122.820 0.108 0.000 2.522 150 A HA -0.012 4.360 4.320 0.087 0.000 0.256 150 A C -0.137 177.601 177.584 0.257 0.000 1.086 150 A CA 0.304 52.440 52.037 0.166 0.000 0.763 150 A CB -0.054 19.022 19.000 0.126 0.000 1.024 150 A HN 0.113 nan 8.150 nan 0.000 0.502 151 K N 4.900 125.413 120.400 0.188 0.000 2.464 151 K HA 0.394 4.766 4.320 0.087 0.000 0.252 151 K C -2.930 173.750 176.600 0.133 0.000 1.000 151 K CA -2.144 54.236 56.287 0.155 0.000 0.951 151 K CB 1.119 33.691 32.500 0.120 0.000 1.183 151 K HN 0.334 nan 8.250 nan 0.000 0.445 152 P HA -0.109 nan 4.420 nan 0.000 0.264 152 P C -0.729 176.633 177.300 0.104 0.000 1.183 152 P CA -0.264 62.892 63.100 0.093 0.000 0.763 152 P CB 0.751 32.443 31.700 -0.014 0.000 0.807 153 V N 2.406 122.396 119.914 0.126 0.000 2.914 153 V HA 0.827 5.000 4.120 0.087 0.000 0.314 153 V C -0.783 175.419 176.094 0.179 0.000 1.084 153 V CA -0.996 61.384 62.300 0.133 0.000 0.963 153 V CB 2.176 34.052 31.823 0.090 0.000 1.025 153 V HN 0.534 nan 8.190 nan 0.000 0.432 154 I N 1.465 122.174 120.570 0.232 0.000 2.800 154 I HA 0.444 4.667 4.170 0.087 0.000 0.294 154 I C -0.292 176.043 176.117 0.363 0.000 1.538 154 I CA -0.051 61.426 61.300 0.296 0.000 1.010 154 I CB 2.501 40.724 38.000 0.371 0.000 1.381 154 I HN 0.883 nan 8.210 nan 0.000 0.462 155 T N 5.094 119.891 114.554 0.405 0.000 2.870 155 T HA 0.360 4.762 4.350 0.087 0.000 0.300 155 T C 0.470 175.487 174.700 0.528 0.000 0.989 155 T CA 0.186 62.571 62.100 0.475 0.000 1.139 155 T CB 0.846 70.060 68.868 0.577 0.000 0.920 155 T HN 0.725 nan 8.240 nan 0.000 0.537 156 G N 3.722 112.774 108.800 0.419 0.000 2.667 156 G HA2 0.280 4.292 3.960 0.087 0.000 0.250 156 G HA3 0.280 4.292 3.960 0.087 0.000 0.250 156 G C -1.553 173.519 174.900 0.286 0.000 1.212 156 G CA -1.285 44.010 45.100 0.325 0.000 0.874 156 G HN 0.400 nan 8.290 nan 0.000 0.561 157 P HA -0.031 nan 4.420 nan 0.000 0.216 157 P C 1.946 179.337 177.300 0.151 0.000 1.153 157 P CA 0.681 63.819 63.100 0.062 0.000 0.844 157 P CB 0.192 31.735 31.700 -0.261 0.000 0.787 158 I N -1.056 119.590 120.570 0.126 0.000 2.179 158 I HA -0.223 4.000 4.170 0.087 0.000 0.242 158 I C 2.138 178.318 176.117 0.104 0.000 1.088 158 I CA 1.685 63.044 61.300 0.098 0.000 1.357 158 I CB -1.233 36.933 38.000 0.276 0.000 1.051 158 I HN -0.020 nan 8.210 nan 0.000 0.409 159 T N -0.055 114.606 114.554 0.179 0.000 2.708 159 T HA -0.241 4.161 4.350 0.087 0.000 0.266 159 T C 1.789 176.626 174.700 0.227 0.000 1.037 159 T CA 1.514 63.717 62.100 0.172 0.000 1.146 159 T CB -0.444 68.555 68.868 0.218 0.000 0.865 159 T HN 0.334 nan 8.240 nan 0.000 0.435 160 Y N 2.080 122.519 120.300 0.232 0.000 2.081 160 Y HA -0.213 4.411 4.550 0.123 0.000 0.280 160 Y C 2.276 178.323 175.900 0.245 0.000 1.163 160 Y CA 1.065 59.346 58.100 0.301 0.000 1.135 160 Y CB -0.735 37.986 38.460 0.436 0.000 0.970 160 Y HN -0.007 nan 8.280 nan 0.000 0.498 161 V N 0.462 120.428 119.914 0.087 0.000 2.407 161 V HA -0.324 3.849 4.120 0.087 0.000 0.248 161 V C 2.657 178.682 176.094 -0.115 0.000 1.055 161 V CA 1.834 64.007 62.300 -0.212 0.000 1.049 161 V CB -1.687 29.761 31.823 -0.624 0.000 0.662 161 V HN 0.577 nan 8.190 nan 0.000 0.455 162 A N -0.482 122.368 122.820 0.051 0.000 2.015 162 A HA -0.059 4.313 4.320 0.087 0.000 0.219 162 A C 1.955 179.556 177.584 0.029 0.000 1.163 162 A CA 1.316 53.419 52.037 0.111 0.000 0.646 162 A CB -0.382 18.667 19.000 0.080 0.000 0.806 162 A HN 0.433 nan 8.150 nan 0.000 0.448 163 L N 0.044 121.264 121.223 -0.004 0.000 2.554 163 L HA 0.152 4.544 4.340 0.087 0.000 0.226 163 L C 1.222 178.177 176.870 0.142 0.000 1.137 163 L CA 0.536 55.393 54.840 0.027 0.000 0.863 163 L CB -0.616 41.366 42.059 -0.129 0.000 0.985 163 L HN 0.148 nan 8.230 nan 0.000 0.451 164 S N -1.553 114.166 115.700 0.033 0.000 2.652 164 S HA 0.475 4.998 4.470 0.087 0.000 0.267 164 S C 0.385 175.035 174.600 0.084 0.000 1.201 164 S CA -0.336 57.911 58.200 0.078 0.000 0.996 164 S CB 1.166 64.416 63.200 0.084 0.000 1.054 164 S HN 0.167 nan 8.310 nan 0.000 0.561 165 T N -0.147 114.491 114.554 0.141 0.000 2.906 165 T HA 0.592 4.994 4.350 0.087 0.000 0.295 165 T C 0.679 175.462 174.700 0.138 0.000 1.061 165 T CA 0.298 62.458 62.100 0.099 0.000 1.000 165 T CB 1.438 70.356 68.868 0.085 0.000 1.103 165 T HN 0.994 nan 8.240 nan 0.000 0.486 166 G N 1.032 109.880 108.800 0.079 0.000 2.176 166 G HA2 -0.232 3.780 3.960 0.087 0.000 0.253 166 G HA3 -0.232 3.780 3.960 0.087 0.000 0.253 166 G C 0.211 175.143 174.900 0.053 0.000 0.979 166 G CA -0.013 45.145 45.100 0.098 0.000 0.641 166 G HN 0.814 nan 8.290 nan 0.000 0.530 167 V N 2.429 122.293 119.914 -0.083 0.000 2.421 167 V HA 0.227 4.399 4.120 0.087 0.000 0.271 167 V C 1.717 177.752 176.094 -0.098 0.000 1.031 167 V CA 1.112 63.271 62.300 -0.234 0.000 1.032 167 V CB 0.828 32.370 31.823 -0.468 0.000 1.009 167 V HN 0.726 nan 8.190 nan 0.000 0.477 168 E N 3.264 123.430 120.200 -0.056 0.000 2.072 168 E HA -0.085 4.317 4.350 0.087 0.000 0.190 168 E C 0.520 177.108 176.600 -0.019 0.000 0.982 168 E CA 0.698 57.088 56.400 -0.017 0.000 0.803 168 E CB 0.368 30.072 29.700 0.007 0.000 0.755 168 E HN 0.623 nan 8.360 nan 0.000 0.453 169 D N -0.823 119.547 120.400 -0.049 0.000 2.575 169 D HA 0.058 4.750 4.640 0.087 0.000 0.250 169 D C -0.532 175.733 176.300 -0.058 0.000 1.279 169 D CA -0.649 53.339 54.000 -0.021 0.000 0.925 169 D CB 1.087 41.878 40.800 -0.015 0.000 1.261 169 D HN 0.022 nan 8.370 nan 0.000 0.567 170 F N 3.082 122.949 119.950 -0.138 0.000 2.051 170 F HA -0.229 4.277 4.527 -0.035 0.000 0.296 170 F C 2.510 178.199 175.800 -0.186 0.000 1.122 170 F CA 2.641 60.526 58.000 -0.192 0.000 1.201 170 F CB -0.202 38.721 39.000 -0.128 0.000 0.978 170 F HN 0.472 nan 8.300 nan 0.000 0.472 171 T N -1.201 113.396 114.554 0.072 0.000 2.833 171 T HA -0.106 4.296 4.350 0.087 0.000 0.269 171 T C 2.040 176.654 174.700 -0.144 0.000 1.054 171 T CA 1.034 63.112 62.100 -0.036 0.000 1.135 171 T CB -1.026 67.885 68.868 0.072 0.000 0.869 171 T HN 0.314 nan 8.240 nan 0.000 0.466 172 A N 1.771 124.521 122.820 -0.116 0.000 1.898 172 A HA 0.397 4.770 4.320 0.087 0.000 0.216 172 A C 2.850 180.342 177.584 -0.152 0.000 1.181 172 A CA 1.739 53.712 52.037 -0.105 0.000 0.620 172 A CB -1.399 17.566 19.000 -0.058 0.000 0.819 172 A HN 0.762 nan 8.150 nan 0.000 0.442 173 A N -0.483 122.164 122.820 -0.287 0.000 1.877 173 A HA -0.020 4.352 4.320 0.087 0.000 0.216 173 A C 2.231 179.634 177.584 -0.301 0.000 1.186 173 A CA 1.820 53.608 52.037 -0.415 0.000 0.620 173 A CB -1.047 17.354 19.000 -0.998 0.000 0.822 173 A HN 0.390 nan 8.150 nan 0.000 0.443 174 V N 0.244 119.884 119.914 -0.458 0.000 2.332 174 V HA -0.292 3.880 4.120 0.087 0.000 0.248 174 V C 2.564 178.524 176.094 -0.223 0.000 1.055 174 V CA 2.487 64.573 62.300 -0.357 0.000 1.038 174 V CB -0.654 30.874 31.823 -0.491 0.000 0.651 174 V HN 0.695 nan 8.190 nan 0.000 0.450 175 K N 0.671 120.941 120.400 -0.217 0.000 2.097 175 K HA -0.176 4.197 4.320 0.087 0.000 0.206 175 K C 2.240 178.749 176.600 -0.152 0.000 1.049 175 K CA 1.656 57.818 56.287 -0.209 0.000 0.933 175 K CB -0.206 32.198 32.500 -0.159 0.000 0.717 175 K HN 0.643 nan 8.250 nan 0.000 0.442 176 S N 0.195 115.857 115.700 -0.064 0.000 2.481 176 S HA -0.040 4.483 4.470 0.087 0.000 0.231 176 S C 1.714 176.309 174.600 -0.009 0.000 0.996 176 S CA 0.558 58.755 58.200 -0.004 0.000 0.942 176 S CB -0.196 63.054 63.200 0.083 0.000 0.768 176 S HN 0.292 nan 8.310 nan 0.000 0.520 177 L N 0.348 121.564 121.223 -0.010 0.000 2.477 177 L HA 0.252 4.644 4.340 0.087 0.000 0.220 177 L C 2.170 179.047 176.870 0.011 0.000 1.106 177 L CA 0.157 54.970 54.840 -0.044 0.000 0.851 177 L CB -0.428 41.669 42.059 0.063 0.000 0.994 177 L HN 0.289 nan 8.230 nan 0.000 0.462 178 L N 0.544 121.715 121.223 -0.086 0.000 2.012 178 L HA -0.158 4.235 4.340 0.087 0.000 0.210 178 L C -0.158 176.786 176.870 0.123 0.000 1.073 178 L CA 1.634 56.395 54.840 -0.132 0.000 0.748 178 L CB -1.814 39.760 42.059 -0.808 0.000 0.891 178 L HN 0.225 nan 8.230 nan 0.000 0.431 179 P HA -0.142 nan 4.420 nan 0.000 0.220 179 P C 1.667 179.015 177.300 0.081 0.000 1.148 179 P CA 1.068 64.257 63.100 0.150 0.000 0.803 179 P CB 0.101 31.847 31.700 0.077 0.000 0.782 180 L N -2.457 118.745 121.223 -0.034 0.000 2.027 180 L HA -0.140 4.253 4.340 0.087 0.000 0.206 180 L C 2.384 179.128 176.870 -0.210 0.000 1.074 180 L CA 1.814 56.557 54.840 -0.162 0.000 0.745 180 L CB -1.834 39.986 42.059 -0.400 0.000 0.898 180 L HN -0.054 nan 8.230 nan 0.000 0.433 181 Y N -0.050 120.090 120.300 -0.267 0.000 2.207 181 Y HA -0.251 4.350 4.550 0.084 0.000 0.287 181 Y C 2.663 178.293 175.900 -0.449 0.000 1.156 181 Y CA 1.470 59.273 58.100 -0.494 0.000 1.182 181 Y CB -0.241 38.034 38.460 -0.308 0.000 0.979 181 Y HN 0.100 nan 8.280 nan 0.000 0.521 182 K N 0.613 121.142 120.400 0.214 0.000 2.026 182 K HA -0.268 4.104 4.320 0.087 0.000 0.208 182 K C 2.140 178.817 176.600 0.129 0.000 1.048 182 K CA 1.802 58.270 56.287 0.301 0.000 0.929 182 K CB -0.291 32.442 32.500 0.389 0.000 0.713 182 K HN 0.423 nan 8.250 nan 0.000 0.439 183 Q N 0.390 120.221 119.800 0.052 0.000 2.084 183 Q HA -0.125 4.267 4.340 0.087 0.000 0.202 183 Q C 2.047 178.032 176.000 -0.025 0.000 0.978 183 Q CA 1.497 57.311 55.803 0.019 0.000 0.844 183 Q CB 0.105 28.845 28.738 0.004 0.000 0.898 183 Q HN 0.113 nan 8.270 nan 0.000 0.426 184 V N 0.567 120.400 119.914 -0.135 0.000 2.255 184 V HA -0.267 3.906 4.120 0.087 0.000 0.247 184 V C 2.059 178.111 176.094 -0.070 0.000 1.051 184 V CA 1.887 64.080 62.300 -0.179 0.000 1.018 184 V CB -0.699 30.901 31.823 -0.371 0.000 0.641 184 V HN 0.355 nan 8.190 nan 0.000 0.445 185 F N 0.651 120.621 119.950 0.035 0.000 2.186 185 F HA -0.113 4.463 4.527 0.083 0.000 0.299 185 F C 2.626 178.417 175.800 -0.014 0.000 1.090 185 F CA 1.596 59.607 58.000 0.018 0.000 1.307 185 F CB -1.748 37.311 39.000 0.099 0.000 1.019 185 F HN 0.104 nan 8.300 nan 0.000 0.489 186 T N -0.556 114.113 114.554 0.192 0.000 2.821 186 T HA -0.160 4.243 4.350 0.087 0.000 0.267 186 T C 1.799 176.532 174.700 0.055 0.000 1.046 186 T CA 1.465 63.628 62.100 0.105 0.000 1.139 186 T CB -0.268 68.654 68.868 0.091 0.000 0.871 186 T HN 0.297 nan 8.240 nan 0.000 0.454 187 E N 0.713 120.940 120.200 0.045 0.000 2.077 187 E HA -0.033 4.370 4.350 0.087 0.000 0.193 187 E C 2.178 178.788 176.600 0.018 0.000 0.989 187 E CA 0.782 57.200 56.400 0.030 0.000 0.800 187 E CB -0.263 29.450 29.700 0.023 0.000 0.746 187 E HN 0.396 nan 8.360 nan 0.000 0.452 188 L N 0.356 121.569 121.223 -0.017 0.000 2.046 188 L HA -0.190 4.202 4.340 0.087 0.000 0.208 188 L C 2.430 179.200 176.870 -0.167 0.000 1.077 188 L CA 0.751 55.494 54.840 -0.162 0.000 0.747 188 L CB -0.341 41.583 42.059 -0.226 0.000 0.896 188 L HN 0.068 nan 8.230 nan 0.000 0.432 189 V N -0.120 119.741 119.914 -0.087 0.000 2.295 189 V HA -0.311 3.862 4.120 0.087 0.000 0.246 189 V C 2.563 178.649 176.094 -0.012 0.000 1.049 189 V CA 1.780 64.036 62.300 -0.074 0.000 1.024 189 V CB -0.572 31.209 31.823 -0.070 0.000 0.648 189 V HN 0.440 nan 8.190 nan 0.000 0.447 190 K N 0.449 120.855 120.400 0.010 0.000 2.074 190 K HA -0.233 4.139 4.320 0.087 0.000 0.209 190 K C 1.999 178.637 176.600 0.062 0.000 1.048 190 K CA 1.885 58.190 56.287 0.031 0.000 0.926 190 K CB -0.303 32.216 32.500 0.031 0.000 0.713 190 K HN 0.462 nan 8.250 nan 0.000 0.444 191 A N -0.416 122.466 122.820 0.103 0.000 2.168 191 A HA 0.101 4.473 4.320 0.087 0.000 0.215 191 A C 1.358 179.110 177.584 0.281 0.000 1.152 191 A CA 1.334 53.492 52.037 0.202 0.000 0.716 191 A CB -0.124 19.071 19.000 0.324 0.000 0.794 191 A HN 0.608 nan 8.150 nan 0.000 0.465 192 G N -2.771 106.152 108.800 0.206 0.000 2.227 192 G HA2 0.243 4.255 3.960 0.087 0.000 0.168 192 G HA3 0.243 4.255 3.960 0.087 0.000 0.168 192 G C 0.356 175.367 174.900 0.186 0.000 1.006 192 G CA 0.010 45.224 45.100 0.189 0.000 0.684 192 G HN 1.358 nan 8.290 nan 0.000 0.489 193 A N 0.127 122.963 122.820 0.027 0.000 2.483 193 A HA 0.810 5.182 4.320 0.087 0.000 0.238 193 A C 1.180 178.702 177.584 -0.103 0.000 1.070 193 A CA 1.578 53.528 52.037 -0.145 0.000 0.770 193 A CB 1.032 19.739 19.000 -0.487 0.000 1.008 193 A HN 1.142 nan 8.150 nan 0.000 0.497 194 S N -0.108 115.542 115.700 -0.084 0.000 3.627 194 S HA 0.276 4.798 4.470 0.087 0.000 0.190 194 S C -0.249 174.190 174.600 -0.269 0.000 0.880 194 S CA -0.161 57.938 58.200 -0.168 0.000 0.894 194 S CB -0.365 62.777 63.200 -0.097 0.000 1.095 194 S HN 0.565 nan 8.310 nan 0.000 0.655 195 Y N 1.960 122.199 120.300 -0.103 0.000 2.442 195 Y HA 0.472 5.074 4.550 0.086 0.000 0.330 195 Y C -0.096 175.702 175.900 -0.170 0.000 1.129 195 Y CA 0.352 58.376 58.100 -0.126 0.000 1.365 195 Y CB 0.295 38.749 38.460 -0.009 0.000 1.233 195 Y HN 0.235 nan 8.280 nan 0.000 0.529 196 I N 3.671 124.175 120.570 -0.110 0.000 2.439 196 I HA 0.176 4.399 4.170 0.087 0.000 0.285 196 I C -0.566 175.533 176.117 -0.030 0.000 1.021 196 I CA -0.879 60.360 61.300 -0.102 0.000 1.091 196 I CB 1.751 39.599 38.000 -0.253 0.000 1.242 196 I HN 0.501 nan 8.210 nan 0.000 0.439 197 Q N 6.364 126.168 119.800 0.006 0.000 2.296 197 Q HA 0.343 4.736 4.340 0.087 0.000 0.263 197 Q C -1.462 174.593 176.000 0.092 0.000 1.026 197 Q CA -0.278 55.522 55.803 -0.005 0.000 0.912 197 Q CB 1.099 29.831 28.738 -0.010 0.000 1.198 197 Q HN 0.534 nan 8.270 nan 0.000 0.407 198 V N 4.857 124.823 119.914 0.087 0.000 2.313 198 V HA 0.171 4.343 4.120 0.087 0.000 0.278 198 V C -0.749 175.387 176.094 0.071 0.000 1.017 198 V CA -0.903 61.498 62.300 0.169 0.000 0.823 198 V CB 1.348 33.307 31.823 0.227 0.000 1.010 198 V HN 0.769 nan 8.190 nan 0.000 0.443 199 D N 4.252 124.744 120.400 0.153 0.000 2.343 199 D HA 0.313 5.006 4.640 0.087 0.000 0.255 199 D C 0.406 176.719 176.300 0.022 0.000 1.187 199 D CA 0.173 54.240 54.000 0.111 0.000 0.875 199 D CB 0.979 41.972 40.800 0.322 0.000 1.136 199 D HN 0.473 nan 8.370 nan 0.000 0.469 200 E N 3.107 123.164 120.200 -0.239 0.000 3.651 200 E HA 0.153 4.555 4.350 0.087 0.000 0.220 200 E C -1.969 174.456 176.600 -0.291 0.000 1.222 200 E CA -1.465 54.833 56.400 -0.170 0.000 1.114 200 E CB 1.339 30.926 29.700 -0.187 0.000 1.278 200 E HN 0.217 nan 8.360 nan 0.000 0.412 201 P HA -0.070 nan 4.420 nan 0.000 0.226 201 P C 1.448 178.534 177.300 -0.356 0.000 1.153 201 P CA 0.265 62.862 63.100 -0.838 0.000 0.777 201 P CB 0.275 30.996 31.700 -1.633 0.000 0.794 202 I N -1.292 119.224 120.570 -0.090 0.000 2.399 202 I HA -0.190 4.033 4.170 0.087 0.000 0.254 202 I C 1.155 177.173 176.117 -0.165 0.000 1.146 202 I CA 1.324 62.603 61.300 -0.035 0.000 1.412 202 I CB -0.726 37.207 38.000 -0.112 0.000 1.076 202 I HN -0.198 nan 8.210 nan 0.000 0.432 203 F N -0.627 119.354 119.950 0.051 0.000 2.693 203 F HA 0.117 4.732 4.527 0.146 0.000 0.303 203 F C 1.697 177.516 175.800 0.031 0.000 1.143 203 F CA 0.366 58.425 58.000 0.098 0.000 1.389 203 F CB -0.425 38.716 39.000 0.234 0.000 1.060 203 F HN 0.055 nan 8.300 nan 0.000 0.535 204 V N -3.287 116.668 119.914 0.068 0.000 3.528 204 V HA 0.278 4.450 4.120 0.087 0.000 0.294 204 V C 0.610 176.729 176.094 0.042 0.000 1.404 204 V CA 0.415 62.733 62.300 0.030 0.000 1.065 204 V CB -0.571 31.211 31.823 -0.067 0.000 0.904 204 V HN 0.193 nan 8.190 nan 0.000 0.435 205 T N -3.690 110.892 114.554 0.047 0.000 2.940 205 T HA 0.435 4.837 4.350 0.087 0.000 0.288 205 T C 0.476 175.174 174.700 -0.003 0.000 1.033 205 T CA -0.041 62.081 62.100 0.037 0.000 1.033 205 T CB 1.941 70.849 68.868 0.066 0.000 1.079 205 T HN 0.088 nan 8.240 nan 0.000 0.496 206 D N 0.651 121.039 120.400 -0.021 0.000 2.106 206 D HA -0.183 4.510 4.640 0.087 0.000 0.191 206 D C 1.751 177.984 176.300 -0.112 0.000 0.997 206 D CA 1.957 55.926 54.000 -0.052 0.000 0.834 206 D CB -0.280 40.490 40.800 -0.049 0.000 0.956 206 D HN 0.940 nan 8.370 nan 0.000 0.448 207 E N 0.492 120.613 120.200 -0.132 0.000 2.147 207 E HA -0.181 4.222 4.350 0.087 0.000 0.199 207 E C 2.140 178.498 176.600 -0.403 0.000 1.005 207 E CA 1.592 57.849 56.400 -0.238 0.000 0.810 207 E CB -0.464 29.148 29.700 -0.147 0.000 0.736 207 E HN 0.276 nan 8.360 nan 0.000 0.460 208 G N 0.549 109.205 108.800 -0.241 0.000 2.462 208 G HA2 -0.379 3.634 3.960 0.087 0.000 0.220 208 G HA3 -0.379 3.634 3.960 0.087 0.000 0.220 208 G C 1.656 176.443 174.900 -0.189 0.000 1.121 208 G CA 1.244 46.182 45.100 -0.270 0.000 0.758 208 G HN 0.375 nan 8.290 nan 0.000 0.559 209 K N 0.218 120.523 120.400 -0.158 0.000 2.362 209 K HA 0.003 4.376 4.320 0.087 0.000 0.200 209 K C 1.676 178.177 176.600 -0.164 0.000 1.046 209 K CA 1.501 57.744 56.287 -0.074 0.000 0.952 209 K CB -0.523 31.941 32.500 -0.060 0.000 0.753 209 K HN 0.278 nan 8.250 nan 0.000 0.466 210 D N -0.214 119.919 120.400 -0.444 0.000 2.347 210 D HA 0.033 4.725 4.640 0.087 0.000 0.215 210 D C 0.180 176.266 176.300 -0.357 0.000 0.976 210 D CA 0.769 54.459 54.000 -0.515 0.000 0.884 210 D CB -0.099 40.214 40.800 -0.812 0.000 0.915 210 D HN 0.636 nan 8.370 nan 0.000 0.526 211 Y N -0.229 120.082 120.300 0.019 0.000 2.696 211 Y HA 0.322 4.872 4.550 -0.000 0.000 0.260 211 Y C 1.623 177.784 175.900 0.435 0.000 1.165 211 Y CA -0.540 57.650 58.100 0.150 0.000 1.189 211 Y CB -0.606 37.877 38.460 0.039 0.000 1.180 211 Y HN -0.121 nan 8.280 nan 0.000 0.538 212 L N -0.694 120.767 121.223 0.398 0.000 2.083 212 L HA -0.219 4.173 4.340 0.087 0.000 0.209 212 L C 1.943 178.911 176.870 0.163 0.000 1.083 212 L CA 1.634 56.634 54.840 0.266 0.000 0.752 212 L CB -0.263 41.874 42.059 0.130 0.000 0.899 212 L HN 0.303 nan 8.230 nan 0.000 0.433 213 Q N -0.284 119.613 119.800 0.161 0.000 2.212 213 Q HA -0.025 4.367 4.340 0.087 0.000 0.199 213 Q C 2.492 178.574 176.000 0.137 0.000 0.950 213 Q CA 1.042 56.911 55.803 0.110 0.000 0.863 213 Q CB -0.149 28.638 28.738 0.083 0.000 0.944 213 Q HN 0.508 nan 8.270 nan 0.000 0.465 214 A N 1.524 124.479 122.820 0.226 0.000 1.908 214 A HA -0.165 4.207 4.320 0.087 0.000 0.218 214 A C 2.336 180.056 177.584 0.227 0.000 1.181 214 A CA 1.650 53.824 52.037 0.229 0.000 0.627 214 A CB -0.834 18.379 19.000 0.355 0.000 0.818 214 A HN 0.387 nan 8.150 nan 0.000 0.445 215 A N -0.262 122.754 122.820 0.328 0.000 1.908 215 A HA -0.211 4.161 4.320 0.087 0.000 0.218 215 A C 2.148 179.826 177.584 0.157 0.000 1.181 215 A CA 2.112 54.310 52.037 0.267 0.000 0.627 215 A CB -0.465 18.451 19.000 -0.140 0.000 0.818 215 A HN 0.581 nan 8.150 nan 0.000 0.445 216 K N -0.472 119.966 120.400 0.063 0.000 2.025 216 K HA -0.061 4.311 4.320 0.087 0.000 0.207 216 K C 2.205 178.818 176.600 0.022 0.000 1.049 216 K CA 1.191 57.493 56.287 0.025 0.000 0.933 216 K CB -0.331 32.174 32.500 0.009 0.000 0.714 216 K HN 0.361 nan 8.250 nan 0.000 0.438 217 A N 0.690 123.515 122.820 0.008 0.000 1.873 217 A HA -0.101 4.271 4.320 0.087 0.000 0.215 217 A C 2.258 179.759 177.584 -0.137 0.000 1.186 217 A CA 1.598 53.611 52.037 -0.041 0.000 0.616 217 A CB -0.723 18.252 19.000 -0.042 0.000 0.823 217 A HN 0.171 nan 8.150 nan 0.000 0.442 218 V N -1.420 118.358 119.914 -0.227 0.000 2.287 218 V HA -0.289 3.883 4.120 0.087 0.000 0.248 218 V C 2.388 177.975 176.094 -0.845 0.000 1.053 218 V CA 2.141 64.069 62.300 -0.620 0.000 1.027 218 V CB -0.999 30.449 31.823 -0.626 0.000 0.646 218 V HN 0.686 nan 8.190 nan 0.000 0.447 219 Y N -0.014 120.158 120.300 -0.212 0.000 2.420 219 Y HA 0.153 4.750 4.550 0.078 0.000 0.292 219 Y C 2.398 178.250 175.900 -0.080 0.000 1.119 219 Y CA 0.730 58.753 58.100 -0.129 0.000 1.229 219 Y CB -0.685 37.733 38.460 -0.070 0.000 1.026 219 Y HN 0.166 nan 8.280 nan 0.000 0.554 220 A N -0.187 122.647 122.820 0.023 0.000 1.902 220 A HA -0.271 4.101 4.320 0.087 0.000 0.217 220 A C 2.019 179.610 177.584 0.010 0.000 1.181 220 A CA 1.770 53.821 52.037 0.024 0.000 0.623 220 A CB -1.311 17.698 19.000 0.016 0.000 0.818 220 A HN 0.600 nan 8.150 nan 0.000 0.443 221 Y N -0.352 119.830 120.300 -0.196 0.000 2.070 221 Y HA -0.271 4.335 4.550 0.092 0.000 0.280 221 Y C 2.007 177.859 175.900 -0.079 0.000 1.148 221 Y CA 2.256 60.233 58.100 -0.205 0.000 1.125 221 Y CB -0.534 37.691 38.460 -0.390 0.000 0.975 221 Y HN 0.263 nan 8.280 nan 0.000 0.492 222 F N 0.425 120.392 119.950 0.028 0.000 2.154 222 F HA -0.217 4.359 4.527 0.082 0.000 0.301 222 F C 2.648 178.444 175.800 -0.005 0.000 1.087 222 F CA 1.077 59.028 58.000 -0.082 0.000 1.274 222 F CB -1.584 37.149 39.000 -0.445 0.000 1.009 222 F HN 0.220 nan 8.300 nan 0.000 0.485 223 A N -0.755 122.174 122.820 0.182 0.000 2.067 223 A HA -0.172 4.200 4.320 0.087 0.000 0.219 223 A C 2.297 179.935 177.584 0.091 0.000 1.158 223 A CA 1.542 53.692 52.037 0.187 0.000 0.661 223 A CB -0.617 18.468 19.000 0.141 0.000 0.801 223 A HN 0.383 nan 8.150 nan 0.000 0.452 224 K N -0.740 119.663 120.400 0.005 0.000 2.166 224 K HA -0.037 4.336 4.320 0.087 0.000 0.201 224 K C 1.435 177.993 176.600 -0.070 0.000 1.052 224 K CA 0.997 57.258 56.287 -0.043 0.000 0.969 224 K CB 0.053 32.503 32.500 -0.084 0.000 0.761 224 K HN 0.334 nan 8.250 nan 0.000 0.459 225 E N 0.115 120.236 120.200 -0.131 0.000 2.216 225 E HA 0.011 4.413 4.350 0.087 0.000 0.192 225 E C 0.200 176.820 176.600 0.033 0.000 0.973 225 E CA 0.534 56.863 56.400 -0.120 0.000 0.851 225 E CB 0.856 30.361 29.700 -0.326 0.000 0.804 225 E HN 0.020 nan 8.360 nan 0.000 0.477 226 V N 4.001 123.998 119.914 0.137 0.000 2.271 226 V HA 0.108 4.281 4.120 0.087 0.000 0.259 226 V C -1.796 174.378 176.094 0.134 0.000 1.030 226 V CA -0.824 61.576 62.300 0.168 0.000 0.957 226 V CB 1.199 33.201 31.823 0.298 0.000 1.186 226 V HN 0.004 nan 8.190 nan 0.000 0.471 227 P HA -0.087 nan 4.420 nan 0.000 0.220 227 P C 0.634 177.921 177.300 -0.022 0.000 1.148 227 P CA 1.081 64.203 63.100 0.037 0.000 0.803 227 P CB 0.559 32.270 31.700 0.017 0.000 0.782 228 D N -0.174 120.194 120.400 -0.054 0.000 2.347 228 D HA 0.099 4.791 4.640 0.087 0.000 0.213 228 D C 1.010 177.187 176.300 -0.205 0.000 0.985 228 D CA 0.288 54.226 54.000 -0.102 0.000 0.879 228 D CB -0.228 40.527 40.800 -0.076 0.000 0.919 228 D HN 0.134 nan 8.370 nan 0.000 0.526 229 A N 0.761 123.396 122.820 -0.309 0.000 2.388 229 A HA 0.247 4.619 4.320 0.087 0.000 0.257 229 A C 0.270 177.465 177.584 -0.650 0.000 1.095 229 A CA -0.232 51.429 52.037 -0.626 0.000 0.791 229 A CB 0.441 18.740 19.000 -1.168 0.000 1.029 229 A HN -0.105 nan 8.150 nan 0.000 0.489 230 K N 2.400 122.419 120.400 -0.634 0.000 2.257 230 K HA 0.314 4.686 4.320 0.087 0.000 0.270 230 K C -1.471 174.861 176.600 -0.446 0.000 1.098 230 K CA 0.102 56.080 56.287 -0.515 0.000 0.943 230 K CB 0.416 32.461 32.500 -0.758 0.000 1.316 230 K HN 0.551 nan 8.250 nan 0.000 0.447 231 F N 2.528 122.382 119.950 -0.161 0.000 2.412 231 F HA 0.245 4.827 4.527 0.092 0.000 0.348 231 F C 0.811 176.519 175.800 -0.154 0.000 1.102 231 F CA -0.559 57.344 58.000 -0.162 0.000 1.196 231 F CB 0.566 39.499 39.000 -0.112 0.000 1.144 231 F HN 0.258 nan 8.300 nan 0.000 0.541 232 I N 4.688 125.266 120.570 0.013 0.000 2.388 232 I HA 0.107 4.329 4.170 0.087 0.000 0.281 232 I C -0.563 175.490 176.117 -0.107 0.000 1.046 232 I CA -0.562 60.638 61.300 -0.166 0.000 1.187 232 I CB 0.340 38.066 38.000 -0.456 0.000 1.351 232 I HN 0.416 nan 8.210 nan 0.000 0.472 233 F N 6.191 125.947 119.950 -0.323 0.000 2.552 233 F HA 0.094 4.671 4.527 0.085 0.000 0.342 233 F C 0.756 176.455 175.800 -0.167 0.000 1.257 233 F CA -0.040 57.748 58.000 -0.355 0.000 1.058 233 F CB 0.152 38.793 39.000 -0.599 0.000 1.288 233 F HN 0.453 nan 8.300 nan 0.000 0.627 234 Q N 4.945 124.544 119.800 -0.336 0.000 2.331 234 Q HA 0.353 4.745 4.340 0.087 0.000 0.257 234 Q C -0.421 175.424 176.000 -0.257 0.000 0.957 234 Q CA -0.427 55.281 55.803 -0.158 0.000 0.923 234 Q CB 1.052 29.774 28.738 -0.027 0.000 1.212 234 Q HN 0.661 nan 8.270 nan 0.000 0.443 235 T N 1.292 115.743 114.554 -0.172 0.000 2.942 235 T HA 0.854 5.257 4.350 0.087 0.000 0.289 235 T C -0.921 173.639 174.700 -0.233 0.000 1.044 235 T CA -0.553 61.336 62.100 -0.352 0.000 1.023 235 T CB 1.007 69.768 68.868 -0.179 0.000 1.123 235 T HN 0.603 nan 8.240 nan 0.000 0.512 236 Y N -1.683 118.387 120.300 -0.384 0.000 2.732 236 Y HA 0.599 5.206 4.550 0.096 0.000 0.342 236 Y C -0.315 175.269 175.900 -0.528 0.000 1.203 236 Y CA -1.983 55.840 58.100 -0.462 0.000 1.092 236 Y CB 0.129 38.213 38.460 -0.627 0.000 1.345 236 Y HN 0.631 nan 8.280 nan 0.000 0.458 237 F N -2.204 117.756 119.950 0.017 0.000 2.344 237 F HA -0.166 4.406 4.527 0.075 0.000 0.567 237 F C 0.361 176.127 175.800 -0.057 0.000 0.510 237 F CA 0.745 58.657 58.000 -0.146 0.000 1.451 237 F CB -1.076 37.754 39.000 -0.284 0.000 2.196 237 F HN 0.748 nan 8.300 nan 0.000 0.256 238 E N -0.908 119.372 120.200 0.132 0.000 2.415 238 E HA 0.575 4.977 4.350 0.087 0.000 0.271 238 E C 0.180 176.801 176.600 0.036 0.000 1.094 238 E CA -0.036 56.426 56.400 0.103 0.000 0.881 238 E CB 1.267 31.012 29.700 0.074 0.000 1.581 238 E HN 0.077 nan 8.360 nan 0.000 0.460 239 G N 0.412 109.226 108.800 0.023 0.000 2.606 239 G HA2 0.339 4.351 3.960 0.087 0.000 0.252 239 G HA3 0.339 4.351 3.960 0.087 0.000 0.252 239 G C -0.452 174.449 174.900 0.002 0.000 1.206 239 G CA -0.341 44.748 45.100 -0.019 0.000 0.861 239 G HN 0.192 nan 8.290 nan 0.000 0.561 240 L N 1.723 122.945 121.223 -0.003 0.000 2.361 240 L HA 0.337 4.729 4.340 0.087 0.000 0.278 240 L C 0.877 177.798 176.870 0.084 0.000 1.113 240 L CA -0.501 54.381 54.840 0.070 0.000 0.849 240 L CB 0.136 42.243 42.059 0.080 0.000 1.155 240 L HN 0.467 nan 8.230 nan 0.000 0.452 241 I N 0.717 121.361 120.570 0.123 0.000 2.882 241 I HA 0.202 4.425 4.170 0.087 0.000 0.286 241 I C 0.165 176.339 176.117 0.094 0.000 1.139 241 I CA -0.488 60.875 61.300 0.105 0.000 1.379 241 I CB 0.053 38.129 38.000 0.128 0.000 1.410 241 I HN 0.743 nan 8.210 nan 0.000 0.594 242 D N 2.546 122.981 120.400 0.058 0.000 2.706 242 D HA -0.208 4.484 4.640 0.087 0.000 0.230 242 D C 1.393 177.700 176.300 0.012 0.000 1.184 242 D CA 1.107 55.125 54.000 0.030 0.000 0.628 242 D CB -0.430 40.390 40.800 0.033 0.000 1.019 242 D HN 0.828 nan 8.370 nan 0.000 0.415 243 S N -2.014 113.703 115.700 0.028 0.000 2.387 243 S HA -0.322 4.200 4.470 0.087 0.000 0.230 243 S C 2.282 176.841 174.600 -0.068 0.000 1.035 243 S CA 1.593 59.818 58.200 0.040 0.000 1.014 243 S CB -0.487 62.781 63.200 0.113 0.000 0.836 243 S HN 0.647 nan 8.310 nan 0.000 0.466 244 Q N 1.084 120.835 119.800 -0.081 0.000 2.170 244 Q HA 0.096 4.489 4.340 0.087 0.000 0.203 244 Q C 2.439 178.347 176.000 -0.154 0.000 0.976 244 Q CA 1.721 57.439 55.803 -0.142 0.000 0.858 244 Q CB -1.324 27.359 28.738 -0.091 0.000 0.907 244 Q HN 0.632 nan 8.270 nan 0.000 0.433 245 V N 0.470 120.320 119.914 -0.106 0.000 2.331 245 V HA -0.127 4.045 4.120 0.087 0.000 0.242 245 V C 2.514 178.528 176.094 -0.134 0.000 1.034 245 V CA 1.413 63.653 62.300 -0.100 0.000 1.027 245 V CB -0.491 31.297 31.823 -0.059 0.000 0.667 245 V HN 0.629 nan 8.190 nan 0.000 0.457 246 L N 1.284 122.424 121.223 -0.138 0.000 2.191 246 L HA -0.129 4.263 4.340 0.087 0.000 0.212 246 L C 2.570 179.338 176.870 -0.171 0.000 1.103 246 L CA 1.664 56.391 54.840 -0.188 0.000 0.769 246 L CB -0.846 41.106 42.059 -0.178 0.000 0.908 246 L HN 0.559 nan 8.230 nan 0.000 0.438 247 S N -0.797 114.705 115.700 -0.330 0.000 2.584 247 S HA -0.190 4.332 4.470 0.087 0.000 0.240 247 S C 1.549 175.931 174.600 -0.363 0.000 0.975 247 S CA 0.782 58.548 58.200 -0.725 0.000 0.949 247 S CB -0.243 62.197 63.200 -1.266 0.000 0.761 247 S HN 0.568 nan 8.310 nan 0.000 0.536 248 Q N 0.151 119.854 119.800 -0.161 0.000 2.282 248 Q HA 0.385 4.778 4.340 0.087 0.000 0.206 248 Q C -0.117 175.888 176.000 0.009 0.000 0.878 248 Q CA -0.290 55.469 55.803 -0.073 0.000 0.944 248 Q CB 0.180 28.863 28.738 -0.091 0.000 1.100 248 Q HN 0.534 nan 8.270 nan 0.000 0.509 249 L N 3.203 124.454 121.223 0.046 0.000 2.525 249 L HA 0.012 4.404 4.340 0.087 0.000 0.278 249 L C -1.810 175.074 176.870 0.022 0.000 1.218 249 L CA -1.169 53.652 54.840 -0.032 0.000 0.878 249 L CB 0.175 42.072 42.059 -0.269 0.000 1.127 249 L HN -0.071 nan 8.230 nan 0.000 0.492 250 P HA 0.050 nan 4.420 nan 0.000 0.225 250 P C -0.628 176.702 177.300 0.050 0.000 1.768 250 P CA 0.057 63.185 63.100 0.046 0.000 0.943 250 P CB -0.250 31.483 31.700 0.054 0.000 1.936 251 V N -3.044 116.853 119.914 -0.029 0.000 2.815 251 V HA 0.491 4.663 4.120 0.087 0.000 0.314 251 V C 0.749 176.819 176.094 -0.040 0.000 1.064 251 V CA -0.696 61.573 62.300 -0.052 0.000 0.952 251 V CB 2.141 33.801 31.823 -0.271 0.000 1.020 251 V HN -0.246 nan 8.190 nan 0.000 0.439 252 D N 1.755 122.168 120.400 0.021 0.000 2.183 252 D HA 0.365 5.058 4.640 0.087 0.000 0.203 252 D C 0.705 177.084 176.300 0.132 0.000 0.969 252 D CA 2.002 56.042 54.000 0.067 0.000 0.842 252 D CB 0.294 41.108 40.800 0.024 0.000 0.957 252 D HN 1.065 nan 8.370 nan 0.000 0.484 253 A N -0.711 122.131 122.820 0.038 0.000 2.539 253 A HA 0.642 5.014 4.320 0.087 0.000 0.296 253 A C -1.546 175.994 177.584 -0.073 0.000 1.073 253 A CA -0.641 51.497 52.037 0.169 0.000 0.700 253 A CB 1.091 20.282 19.000 0.318 0.000 1.296 253 A HN -0.018 nan 8.150 nan 0.000 0.405 254 F N 0.451 120.543 119.950 0.236 0.000 2.507 254 F HA 0.582 5.159 4.527 0.084 0.000 0.325 254 F C 0.924 176.825 175.800 0.169 0.000 1.116 254 F CA -0.342 57.772 58.000 0.190 0.000 0.930 254 F CB 2.677 41.766 39.000 0.148 0.000 1.146 254 F HN 0.710 nan 8.300 nan 0.000 0.447 255 G N 4.918 113.878 108.800 0.266 0.000 2.428 255 G HA2 0.596 4.608 3.960 0.087 0.000 0.320 255 G HA3 0.596 4.608 3.960 0.087 0.000 0.320 255 G C -0.991 173.997 174.900 0.146 0.000 1.098 255 G CA -0.427 44.805 45.100 0.219 0.000 0.984 255 G HN 0.519 nan 8.290 nan 0.000 0.444 256 L N 2.079 123.366 121.223 0.107 0.000 2.317 256 L HA 0.387 4.779 4.340 0.087 0.000 0.281 256 L C -0.497 176.282 176.870 -0.151 0.000 1.024 256 L CA -1.122 53.632 54.840 -0.143 0.000 0.810 256 L CB 2.253 44.035 42.059 -0.462 0.000 1.240 256 L HN 0.330 nan 8.230 nan 0.000 0.427 257 D N 2.147 122.435 120.400 -0.187 0.000 2.411 257 D HA 0.162 4.854 4.640 0.087 0.000 0.225 257 D C 0.051 176.257 176.300 -0.157 0.000 1.156 257 D CA -0.113 53.871 54.000 -0.027 0.000 0.874 257 D CB 0.650 41.504 40.800 0.090 0.000 1.034 257 D HN 0.262 nan 8.370 nan 0.000 0.502 258 F N 2.503 122.505 119.950 0.087 0.000 2.692 258 F HA 0.066 4.648 4.527 0.092 0.000 0.303 258 F C 1.781 177.605 175.800 0.040 0.000 1.114 258 F CA -0.243 57.788 58.000 0.052 0.000 1.361 258 F CB 0.535 39.551 39.000 0.027 0.000 1.063 258 F HN 0.257 nan 8.300 nan 0.000 0.550 259 V N -1.947 118.073 119.914 0.176 0.000 2.788 259 V HA -0.100 4.073 4.120 0.087 0.000 0.241 259 V C 1.009 176.996 176.094 -0.178 0.000 1.083 259 V CA 1.143 63.447 62.300 0.008 0.000 1.103 259 V CB -0.267 31.566 31.823 0.017 0.000 0.800 259 V HN 0.244 nan 8.190 nan 0.000 0.476 260 Y N 0.224 120.592 120.300 0.114 0.000 2.467 260 Y HA 0.518 5.123 4.550 0.091 0.000 0.250 260 Y C 1.677 177.611 175.900 0.057 0.000 1.155 260 Y CA 0.526 58.685 58.100 0.099 0.000 1.249 260 Y CB 0.808 39.350 38.460 0.137 0.000 1.146 260 Y HN 0.245 nan 8.280 nan 0.000 0.524 261 G N -0.585 108.290 108.800 0.125 0.000 4.716 261 G HA2 0.178 4.191 3.960 0.087 0.000 0.282 261 G HA3 0.178 4.191 3.960 0.087 0.000 0.282 261 G C 0.687 175.575 174.900 -0.021 0.000 1.173 261 G CA -0.107 45.012 45.100 0.031 0.000 0.913 261 G HN 0.196 nan 8.290 nan 0.000 0.566 262 L N 1.098 122.346 121.223 0.042 0.000 1.955 262 L HA -0.062 4.331 4.340 0.087 0.000 0.213 262 L C 2.718 179.645 176.870 0.095 0.000 1.072 262 L CA 2.599 57.501 54.840 0.102 0.000 0.755 262 L CB -0.186 41.933 42.059 0.100 0.000 0.888 262 L HN 0.359 nan 8.230 nan 0.000 0.432 263 E N -0.344 119.894 120.200 0.064 0.000 2.051 263 E HA -0.312 4.090 4.350 0.087 0.000 0.192 263 E C 2.049 178.679 176.600 0.049 0.000 0.991 263 E CA 1.727 58.162 56.400 0.058 0.000 0.799 263 E CB -0.729 28.997 29.700 0.043 0.000 0.748 263 E HN 0.783 nan 8.360 nan 0.000 0.449 264 E N 1.024 121.242 120.200 0.029 0.000 2.047 264 E HA -0.157 4.246 4.350 0.087 0.000 0.191 264 E C 1.916 178.521 176.600 0.008 0.000 0.987 264 E CA 1.017 57.428 56.400 0.020 0.000 0.799 264 E CB 0.089 29.797 29.700 0.013 0.000 0.752 264 E HN 0.113 nan 8.360 nan 0.000 0.449 265 N N 0.524 119.192 118.700 -0.054 0.000 2.188 265 N HA -0.132 4.660 4.740 0.087 0.000 0.184 265 N C 1.748 177.294 175.510 0.061 0.000 1.018 265 N CA 0.495 53.463 53.050 -0.136 0.000 0.858 265 N CB -0.276 37.874 38.487 -0.561 0.000 0.989 265 N HN 0.160 nan 8.380 nan 0.000 0.426 266 L N 2.163 123.480 121.223 0.157 0.000 2.046 266 L HA -0.145 4.247 4.340 0.087 0.000 0.208 266 L C 2.068 179.025 176.870 0.145 0.000 1.077 266 L CA 1.694 56.672 54.840 0.230 0.000 0.747 266 L CB -0.671 41.498 42.059 0.182 0.000 0.896 266 L HN 0.352 nan 8.230 nan 0.000 0.432 267 E N -1.562 118.698 120.200 0.100 0.000 2.435 267 E HA -0.035 4.368 4.350 0.087 0.000 0.195 267 E C 1.776 178.431 176.600 0.092 0.000 1.029 267 E CA 0.736 57.184 56.400 0.080 0.000 0.865 267 E CB -0.227 29.506 29.700 0.055 0.000 0.833 267 E HN 0.434 nan 8.360 nan 0.000 0.510 268 A N 2.044 124.934 122.820 0.117 0.000 2.016 268 A HA 0.031 4.403 4.320 0.087 0.000 0.217 268 A C 2.259 180.015 177.584 0.287 0.000 1.162 268 A CA 0.914 53.057 52.037 0.176 0.000 0.662 268 A CB -0.577 18.533 19.000 0.183 0.000 0.812 268 A HN 0.502 nan 8.150 nan 0.000 0.450 269 I N -4.192 116.529 120.570 0.251 0.000 3.265 269 I HA 0.267 4.489 4.170 0.087 0.000 0.282 269 I C 2.105 178.324 176.117 0.171 0.000 1.207 269 I CA 1.058 62.533 61.300 0.292 0.000 1.449 269 I CB -0.247 37.894 38.000 0.235 0.000 1.121 269 I HN 0.098 nan 8.210 nan 0.000 0.442 270 K N 1.245 121.718 120.400 0.121 0.000 2.360 270 K HA -0.055 4.318 4.320 0.087 0.000 0.201 270 K C 1.855 178.488 176.600 0.056 0.000 1.046 270 K CA 2.077 58.409 56.287 0.075 0.000 0.945 270 K CB -1.857 30.679 32.500 0.060 0.000 0.750 270 K HN 0.511 nan 8.250 nan 0.000 0.464 271 T N -0.591 113.998 114.554 0.059 0.000 3.035 271 T HA 0.232 4.635 4.350 0.087 0.000 0.268 271 T C 1.460 176.164 174.700 0.006 0.000 1.109 271 T CA 1.163 63.276 62.100 0.022 0.000 1.119 271 T CB -0.366 68.503 68.868 0.002 0.000 0.900 271 T HN 1.137 nan 8.240 nan 0.000 0.503 272 G N 0.623 109.443 108.800 0.033 0.000 2.160 272 G HA2 -0.167 3.845 3.960 0.087 0.000 0.244 272 G HA3 -0.167 3.845 3.960 0.087 0.000 0.244 272 G C 0.696 175.571 174.900 -0.042 0.000 1.022 272 G CA 0.285 45.396 45.100 0.019 0.000 0.741 272 G HN 0.679 nan 8.290 nan 0.000 0.508 273 A N -1.149 121.604 122.820 -0.113 0.000 2.238 273 A HA 0.658 5.031 4.320 0.087 0.000 0.210 273 A C 1.263 178.489 177.584 -0.596 0.000 1.179 273 A CA 1.189 53.003 52.037 -0.371 0.000 0.827 273 A CB -0.030 18.656 19.000 -0.523 0.000 0.856 273 A HN 0.680 nan 8.150 nan 0.000 0.488 274 F N -0.607 119.301 119.950 -0.070 0.000 2.683 274 F HA 0.272 4.850 4.527 0.085 0.000 0.306 274 F C 1.585 177.393 175.800 0.013 0.000 1.102 274 F CA -0.310 57.657 58.000 -0.055 0.000 1.244 274 F CB 0.465 39.431 39.000 -0.058 0.000 1.029 274 F HN 0.007 nan 8.300 nan 0.000 0.545 275 K N 0.279 120.749 120.400 0.116 0.000 2.209 275 K HA -0.035 4.337 4.320 0.087 0.000 0.204 275 K C 2.075 178.727 176.600 0.086 0.000 1.048 275 K CA 1.198 57.539 56.287 0.091 0.000 0.940 275 K CB -0.276 32.252 32.500 0.047 0.000 0.729 275 K HN 0.387 nan 8.250 nan 0.000 0.451 276 G N 0.879 109.726 108.800 0.079 0.000 3.042 276 G HA2 -0.011 4.001 3.960 0.087 0.000 0.212 276 G HA3 -0.011 4.001 3.960 0.087 0.000 0.212 276 G C 0.258 175.242 174.900 0.139 0.000 1.166 276 G CA -0.049 45.101 45.100 0.084 0.000 0.767 276 G HN -0.021 nan 8.290 nan 0.000 0.546 277 K N 0.296 120.821 120.400 0.208 0.000 2.350 277 K HA 0.398 4.770 4.320 0.087 0.000 0.241 277 K C -0.969 175.815 176.600 0.307 0.000 0.994 277 K CA -0.796 55.677 56.287 0.310 0.000 0.839 277 K CB 2.154 34.960 32.500 0.509 0.000 1.244 277 K HN 0.162 nan 8.250 nan 0.000 0.443 278 E N 1.778 122.183 120.200 0.341 0.000 2.227 278 E HA 0.217 4.619 4.350 0.087 0.000 0.282 278 E C -0.629 176.203 176.600 0.387 0.000 1.015 278 E CA -0.552 56.037 56.400 0.315 0.000 0.823 278 E CB 0.655 30.567 29.700 0.353 0.000 1.081 278 E HN 0.249 nan 8.360 nan 0.000 0.396 279 I N 5.114 125.842 120.570 0.262 0.000 2.321 279 I HA 0.183 4.405 4.170 0.087 0.000 0.291 279 I C -0.475 175.785 176.117 0.239 0.000 0.998 279 I CA -0.525 60.933 61.300 0.264 0.000 1.227 279 I CB 0.421 38.508 38.000 0.145 0.000 1.368 279 I HN 0.564 nan 8.210 nan 0.000 0.466 280 F N 5.005 125.034 119.950 0.131 0.000 2.368 280 F HA 0.417 4.997 4.527 0.090 0.000 0.362 280 F C 0.822 176.712 175.800 0.150 0.000 1.137 280 F CA -0.567 57.491 58.000 0.096 0.000 1.161 280 F CB 0.872 39.917 39.000 0.075 0.000 1.265 280 F HN 0.500 nan 8.300 nan 0.000 0.530 281 A N 3.140 126.076 122.820 0.194 0.000 2.279 281 A HA 0.572 4.944 4.320 0.087 0.000 0.306 281 A C 0.698 178.439 177.584 0.262 0.000 1.300 281 A CA -0.376 51.830 52.037 0.282 0.000 0.925 281 A CB -0.092 18.913 19.000 0.009 0.000 1.152 281 A HN 0.841 nan 8.150 nan 0.000 0.544 282 G N 1.811 110.831 108.800 0.367 0.000 2.741 282 G HA2 0.408 4.420 3.960 0.087 0.000 0.301 282 G HA3 0.408 4.420 3.960 0.087 0.000 0.301 282 G C 0.584 175.651 174.900 0.278 0.000 0.834 282 G CA 0.419 45.679 45.100 0.267 0.000 1.683 282 G HN 1.467 nan 8.290 nan 0.000 0.506 283 V N 0.780 120.804 119.914 0.184 0.000 3.645 283 V HA 0.428 4.600 4.120 0.087 0.000 0.275 283 V C 0.515 176.686 176.094 0.128 0.000 1.356 283 V CA -0.070 62.313 62.300 0.139 0.000 1.051 283 V CB -0.109 31.737 31.823 0.038 0.000 0.828 283 V HN 0.386 nan 8.190 nan 0.000 0.441 284 I N 2.048 122.703 120.570 0.142 0.000 2.412 284 I HA 0.469 4.691 4.170 0.087 0.000 0.296 284 I C -0.386 175.844 176.117 0.189 0.000 0.987 284 I CA -0.244 61.150 61.300 0.158 0.000 1.180 284 I CB 1.350 39.438 38.000 0.148 0.000 1.340 284 I HN 0.124 nan 8.210 nan 0.000 0.455 285 D N 4.685 125.207 120.400 0.202 0.000 2.389 285 D HA 0.085 4.777 4.640 0.087 0.000 0.263 285 D C 1.141 177.597 176.300 0.259 0.000 1.255 285 D CA 0.274 54.429 54.000 0.258 0.000 0.914 285 D CB 1.174 42.119 40.800 0.241 0.000 1.116 285 D HN 0.784 nan 8.370 nan 0.000 0.502 286 G N 3.563 112.545 108.800 0.303 0.000 2.880 286 G HA2 -0.078 3.934 3.960 0.087 0.000 0.209 286 G HA3 -0.078 3.934 3.960 0.087 0.000 0.209 286 G C 1.288 176.337 174.900 0.249 0.000 1.157 286 G CA -0.112 45.127 45.100 0.231 0.000 0.779 286 G HN 0.444 nan 8.290 nan 0.000 0.539 287 R N -0.746 119.937 120.500 0.305 0.000 2.476 287 R HA 0.242 4.634 4.340 0.087 0.000 0.276 287 R C -0.177 176.322 176.300 0.333 0.000 0.941 287 R CA -0.254 56.020 56.100 0.290 0.000 1.088 287 R CB 0.420 30.818 30.300 0.163 0.000 1.216 287 R HN 0.102 nan 8.270 nan 0.000 0.533 288 N N 0.335 119.178 118.700 0.238 0.000 2.629 288 N HA 0.244 5.036 4.740 0.087 0.000 0.279 288 N C -0.701 174.707 175.510 -0.171 0.000 1.344 288 N CA -0.552 52.556 53.050 0.096 0.000 0.789 288 N CB 1.758 40.434 38.487 0.315 0.000 1.508 288 N HN -0.092 nan 8.380 nan 0.000 0.516 289 I N -2.271 118.017 120.570 -0.470 0.000 3.569 289 I HA 0.497 4.720 4.170 0.087 0.000 0.334 289 I C -0.961 174.887 176.117 -0.448 0.000 1.570 289 I CA -1.053 59.950 61.300 -0.495 0.000 1.082 289 I CB -0.560 36.956 38.000 -0.807 0.000 1.323 289 I HN 0.196 nan 8.210 nan 0.000 0.489 290 W N 1.569 122.923 121.300 0.090 0.000 2.496 290 W HA 0.671 5.383 4.660 0.086 0.000 0.327 290 W C 0.869 177.475 176.519 0.146 0.000 1.086 290 W CA -0.942 56.471 57.345 0.112 0.000 1.222 290 W CB 1.372 30.907 29.460 0.126 0.000 1.304 290 W HN 0.207 nan 8.180 nan 0.000 0.547 291 S N 1.324 117.256 115.700 0.387 0.000 2.560 291 S HA 0.106 4.628 4.470 0.087 0.000 0.284 291 S C 0.378 175.226 174.600 0.414 0.000 1.327 291 S CA -0.749 57.638 58.200 0.310 0.000 1.055 291 S CB 1.156 64.424 63.200 0.114 0.000 0.868 291 S HN 0.500 nan 8.310 nan 0.000 0.506 292 S N 0.934 116.834 115.700 0.333 0.000 2.573 292 S HA 0.036 4.558 4.470 0.087 0.000 0.277 292 S C -0.102 174.485 174.600 -0.021 0.000 1.346 292 S CA -0.448 57.893 58.200 0.236 0.000 1.034 292 S CB 0.151 63.530 63.200 0.298 0.000 0.879 292 S HN 0.821 nan 8.310 nan 0.000 0.528 293 D N 3.938 124.220 120.400 -0.196 0.000 2.402 293 D HA 0.123 4.815 4.640 0.087 0.000 0.235 293 D C 0.667 176.850 176.300 -0.195 0.000 1.226 293 D CA -0.350 53.251 54.000 -0.665 0.000 0.918 293 D CB -0.351 40.180 40.800 -0.448 0.000 1.043 293 D HN 0.477 nan 8.370 nan 0.000 0.506 294 F N 2.701 122.395 119.950 -0.427 0.000 2.134 294 F HA -0.179 4.400 4.527 0.086 0.000 0.299 294 F C 2.297 177.969 175.800 -0.213 0.000 1.097 294 F CA 0.440 58.236 58.000 -0.340 0.000 1.264 294 F CB -0.768 37.866 39.000 -0.611 0.000 1.001 294 F HN 0.277 nan 8.300 nan 0.000 0.479 295 V N 0.141 120.031 119.914 -0.040 0.000 2.261 295 V HA -0.306 3.866 4.120 0.087 0.000 0.246 295 V C 2.517 178.604 176.094 -0.010 0.000 1.047 295 V CA 2.067 64.361 62.300 -0.010 0.000 1.015 295 V CB -0.755 31.051 31.823 -0.029 0.000 0.642 295 V HN 0.223 nan 8.190 nan 0.000 0.446 296 K N -0.010 120.364 120.400 -0.044 0.000 2.020 296 K HA -0.249 4.123 4.320 0.087 0.000 0.212 296 K C 2.169 178.759 176.600 -0.017 0.000 1.050 296 K CA 2.415 58.686 56.287 -0.026 0.000 0.929 296 K CB -0.437 32.042 32.500 -0.034 0.000 0.714 296 K HN 0.533 nan 8.250 nan 0.000 0.443 297 T N 0.348 114.894 114.554 -0.013 0.000 2.777 297 T HA -0.066 4.337 4.350 0.087 0.000 0.266 297 T C 2.079 176.751 174.700 -0.046 0.000 1.040 297 T CA 1.407 63.496 62.100 -0.019 0.000 1.141 297 T CB -0.174 68.700 68.868 0.009 0.000 0.868 297 T HN 0.217 nan 8.240 nan 0.000 0.444 298 S N 1.280 116.962 115.700 -0.029 0.000 2.356 298 S HA -0.059 4.463 4.470 0.087 0.000 0.223 298 S C 2.570 177.160 174.600 -0.016 0.000 1.032 298 S CA 1.050 59.241 58.200 -0.014 0.000 1.005 298 S CB -0.551 62.691 63.200 0.070 0.000 0.867 298 S HN 0.591 nan 8.310 nan 0.000 0.449 299 A N 1.147 123.964 122.820 -0.005 0.000 1.933 299 A HA -0.066 4.307 4.320 0.087 0.000 0.218 299 A C 2.093 179.650 177.584 -0.045 0.000 1.175 299 A CA 1.404 53.433 52.037 -0.014 0.000 0.628 299 A CB -0.661 18.338 19.000 -0.002 0.000 0.814 299 A HN 0.444 nan 8.150 nan 0.000 0.444 300 L N -0.290 120.897 121.223 -0.060 0.000 2.046 300 L HA -0.089 4.303 4.340 0.087 0.000 0.208 300 L C 2.190 178.960 176.870 -0.168 0.000 1.077 300 L CA 1.678 56.454 54.840 -0.106 0.000 0.747 300 L CB -0.501 41.495 42.059 -0.105 0.000 0.896 300 L HN 0.389 nan 8.230 nan 0.000 0.432 301 L N -0.739 120.394 121.223 -0.150 0.000 2.093 301 L HA -0.178 4.214 4.340 0.087 0.000 0.208 301 L C 2.510 179.298 176.870 -0.138 0.000 1.085 301 L CA 1.260 55.998 54.840 -0.171 0.000 0.755 301 L CB -0.573 41.402 42.059 -0.140 0.000 0.904 301 L HN 0.357 nan 8.230 nan 0.000 0.435 302 E N -0.429 119.712 120.200 -0.098 0.000 2.077 302 E HA -0.192 4.211 4.350 0.087 0.000 0.193 302 E C 2.089 178.644 176.600 -0.075 0.000 0.989 302 E CA 1.819 58.173 56.400 -0.078 0.000 0.800 302 E CB -0.142 29.526 29.700 -0.055 0.000 0.746 302 E HN 0.464 nan 8.360 nan 0.000 0.452 303 T N 1.393 115.899 114.554 -0.081 0.000 2.777 303 T HA -0.109 4.293 4.350 0.087 0.000 0.266 303 T C 2.009 176.660 174.700 -0.082 0.000 1.040 303 T CA 0.882 62.942 62.100 -0.067 0.000 1.141 303 T CB -0.174 68.658 68.868 -0.060 0.000 0.868 303 T HN 0.109 nan 8.240 nan 0.000 0.444 304 I N 1.012 121.490 120.570 -0.153 0.000 2.226 304 I HA -0.166 4.056 4.170 0.087 0.000 0.245 304 I C 2.764 178.825 176.117 -0.093 0.000 1.100 304 I CA 1.393 62.589 61.300 -0.174 0.000 1.374 304 I CB -0.399 37.387 38.000 -0.357 0.000 1.057 304 I HN 0.329 nan 8.210 nan 0.000 0.413 305 E N 1.500 121.644 120.200 -0.095 0.000 2.085 305 E HA -0.285 4.117 4.350 0.087 0.000 0.194 305 E C 2.007 178.588 176.600 -0.032 0.000 0.994 305 E CA 1.690 58.051 56.400 -0.064 0.000 0.801 305 E CB -0.023 29.633 29.700 -0.074 0.000 0.743 305 E HN 0.658 nan 8.360 nan 0.000 0.453 306 E N -0.596 119.586 120.200 -0.029 0.000 2.358 306 E HA -0.142 4.260 4.350 0.087 0.000 0.195 306 E C 1.206 177.812 176.600 0.009 0.000 1.010 306 E CA 0.413 56.806 56.400 -0.012 0.000 0.856 306 E CB 0.133 29.824 29.700 -0.015 0.000 0.795 306 E HN 0.184 nan 8.360 nan 0.000 0.504 307 Q N 1.161 120.971 119.800 0.018 0.000 2.204 307 Q HA 0.182 4.574 4.340 0.087 0.000 0.209 307 Q C -0.187 175.868 176.000 0.091 0.000 0.861 307 Q CA 0.139 55.975 55.803 0.054 0.000 0.971 307 Q CB 1.226 30.004 28.738 0.066 0.000 1.095 307 Q HN 0.309 nan 8.270 nan 0.000 0.486 308 S N -2.645 113.097 115.700 0.070 0.000 2.579 308 S HA 0.719 5.242 4.470 0.087 0.000 0.272 308 S C 0.449 175.095 174.600 0.077 0.000 1.141 308 S CA -0.325 57.936 58.200 0.102 0.000 0.843 308 S CB 1.616 64.875 63.200 0.098 0.000 1.122 308 S HN -0.001 nan 8.310 nan 0.000 0.468 309 A N 0.661 123.542 122.820 0.101 0.000 1.970 309 A HA 0.696 5.069 4.320 0.087 0.000 0.216 309 A C 1.046 178.670 177.584 0.067 0.000 1.170 309 A CA 0.990 53.075 52.037 0.080 0.000 0.645 309 A CB -0.672 18.386 19.000 0.097 0.000 0.816 309 A HN 1.861 nan 8.150 nan 0.000 0.447 310 A N -1.230 121.638 122.820 0.079 0.000 2.574 310 A HA 0.641 5.013 4.320 0.087 0.000 0.297 310 A C -1.242 176.351 177.584 0.014 0.000 1.062 310 A CA -0.333 51.733 52.037 0.048 0.000 0.686 310 A CB 0.877 19.926 19.000 0.081 0.000 1.285 310 A HN 0.376 nan 8.150 nan 0.000 0.403 311 L N 1.489 122.677 121.223 -0.057 0.000 2.341 311 L HA 0.747 5.139 4.340 0.087 0.000 0.278 311 L C -0.860 175.860 176.870 -0.250 0.000 1.005 311 L CA -0.254 54.512 54.840 -0.123 0.000 0.818 311 L CB 2.264 44.254 42.059 -0.114 0.000 1.259 311 L HN 0.822 nan 8.230 nan 0.000 0.418 312 T N 5.221 119.522 114.554 -0.422 0.000 2.848 312 T HA 0.543 4.945 4.350 0.087 0.000 0.285 312 T C -0.307 174.141 174.700 -0.420 0.000 0.995 312 T CA -0.300 61.425 62.100 -0.625 0.000 0.970 312 T CB 1.538 69.520 68.868 -1.477 0.000 0.976 312 T HN 0.324 nan 8.240 nan 0.000 0.441 313 I N 4.248 124.658 120.570 -0.268 0.000 2.336 313 I HA 0.474 4.697 4.170 0.087 0.000 0.292 313 I C 0.279 176.353 176.117 -0.071 0.000 0.991 313 I CA -0.537 60.680 61.300 -0.138 0.000 1.227 313 I CB 1.117 39.046 38.000 -0.118 0.000 1.366 313 I HN 0.668 nan 8.210 nan 0.000 0.466 314 Q N 5.907 125.713 119.800 0.009 0.000 2.648 314 Q HA 0.627 5.019 4.340 0.087 0.000 0.300 314 Q C -3.020 173.036 176.000 0.093 0.000 0.954 314 Q CA -2.082 53.757 55.803 0.060 0.000 0.757 314 Q CB 1.716 30.520 28.738 0.110 0.000 1.482 314 Q HN 0.154 nan 8.270 nan 0.000 0.437 315 P HA 0.022 nan 4.420 nan 0.000 0.274 315 P C 0.257 177.641 177.300 0.139 0.000 1.256 315 P CA -0.113 63.061 63.100 0.124 0.000 0.795 315 P CB 0.667 32.434 31.700 0.111 0.000 1.038 316 S N -1.026 114.783 115.700 0.182 0.000 2.461 316 S HA 0.009 4.531 4.470 0.087 0.000 0.228 316 S C 0.841 175.515 174.600 0.124 0.000 1.005 316 S CA 0.498 58.826 58.200 0.213 0.000 0.942 316 S CB -1.114 62.291 63.200 0.342 0.000 0.776 316 S HN 0.700 nan 8.310 nan 0.000 0.514 317 C N -0.756 118.581 119.300 0.061 0.000 3.336 317 C HA 0.811 5.323 4.460 0.087 0.000 0.339 317 C C 0.125 175.069 174.990 -0.077 0.000 1.468 317 C CA -0.709 58.214 59.018 -0.159 0.000 1.287 317 C CB 0.843 28.578 27.740 -0.009 0.000 1.682 317 C HN 0.260 nan 8.230 nan 0.000 0.451 318 S N -0.206 115.399 115.700 -0.157 0.000 2.560 318 S HA 0.242 4.764 4.470 0.087 0.000 0.284 318 S C 0.836 175.400 174.600 -0.060 0.000 1.327 318 S CA -0.464 57.658 58.200 -0.130 0.000 1.055 318 S CB -0.110 62.931 63.200 -0.265 0.000 0.868 318 S HN 0.687 nan 8.310 nan 0.000 0.506 319 L N 4.630 125.798 121.223 -0.092 0.000 2.633 319 L HA -0.029 4.363 4.340 0.087 0.000 0.235 319 L C 2.122 178.824 176.870 -0.278 0.000 1.163 319 L CA 0.109 54.879 54.840 -0.117 0.000 0.859 319 L CB -0.690 41.316 42.059 -0.089 0.000 0.973 319 L HN 0.684 nan 8.230 nan 0.000 0.451 320 L N -0.089 120.884 121.223 -0.416 0.000 2.197 320 L HA -0.259 4.133 4.340 0.087 0.000 0.215 320 L C 2.223 178.764 176.870 -0.548 0.000 1.095 320 L CA 1.918 56.390 54.840 -0.613 0.000 0.764 320 L CB -0.679 40.846 42.059 -0.890 0.000 0.897 320 L HN 0.355 nan 8.230 nan 0.000 0.436 321 H N -0.952 118.065 119.070 -0.088 0.000 2.524 321 H HA 0.376 4.983 4.556 0.086 0.000 0.280 321 H C 0.137 175.497 175.328 0.054 0.000 1.018 321 H CA 0.579 56.640 56.048 0.021 0.000 1.165 321 H CB -0.397 29.422 29.762 0.096 0.000 1.411 321 H HN 0.332 nan 8.280 nan 0.000 0.569 322 V N -2.572 117.344 119.914 0.004 0.000 3.130 322 V HA 0.555 4.727 4.120 0.087 0.000 0.310 322 V C -2.873 173.109 176.094 -0.187 0.000 1.158 322 V CA -2.920 59.327 62.300 -0.090 0.000 1.029 322 V CB 2.467 34.196 31.823 -0.157 0.000 1.057 322 V HN -0.217 nan 8.190 nan 0.000 0.436 323 P HA 0.298 nan 4.420 nan 0.000 0.273 323 P C 0.899 178.131 177.300 -0.114 0.000 1.250 323 P CA -0.124 62.814 63.100 -0.270 0.000 0.793 323 P CB 0.711 32.035 31.700 -0.626 0.000 1.011 324 V N -1.208 118.706 119.914 0.001 0.000 2.283 324 V HA -0.043 4.129 4.120 0.087 0.000 0.243 324 V C 1.208 177.401 176.094 0.165 0.000 1.039 324 V CA 2.162 64.460 62.300 -0.005 0.000 1.016 324 V CB -0.509 31.310 31.823 -0.006 0.000 0.650 324 V HN 0.701 nan 8.190 nan 0.000 0.449 325 T N -1.904 112.830 114.554 0.299 0.000 2.957 325 T HA 0.284 4.686 4.350 0.087 0.000 0.336 325 T C 0.520 175.210 174.700 -0.017 0.000 1.462 325 T CA 0.180 62.367 62.100 0.144 0.000 1.073 325 T CB 1.750 70.659 68.868 0.069 0.000 1.319 325 T HN 0.371 nan 8.240 nan 0.000 0.485 326 T N 0.103 114.406 114.554 -0.418 0.000 3.129 326 T HA 0.216 4.619 4.350 0.087 0.000 0.251 326 T C 2.102 176.669 174.700 -0.222 0.000 1.117 326 T CA 0.942 62.696 62.100 -0.577 0.000 1.034 326 T CB -0.233 68.163 68.868 -0.787 0.000 0.968 326 T HN 0.745 nan 8.240 nan 0.000 0.526 327 K N 2.655 122.983 120.400 -0.121 0.000 2.103 327 K HA -0.061 4.311 4.320 0.087 0.000 0.207 327 K C 1.934 178.517 176.600 -0.029 0.000 1.048 327 K CA 1.658 57.905 56.287 -0.066 0.000 0.930 327 K CB -1.031 31.445 32.500 -0.040 0.000 0.716 327 K HN 0.561 nan 8.250 nan 0.000 0.444 328 N N 0.586 119.292 118.700 0.011 0.000 2.270 328 N HA -0.006 4.787 4.740 0.087 0.000 0.198 328 N C -0.564 175.085 175.510 0.232 0.000 1.117 328 N CA 0.003 53.101 53.050 0.080 0.000 0.845 328 N CB 0.860 39.306 38.487 -0.068 0.000 0.980 328 N HN 0.436 nan 8.380 nan 0.000 0.486 329 E N 1.165 121.445 120.200 0.133 0.000 1.802 329 E HA 0.040 4.442 4.350 0.087 0.000 0.265 329 E C 0.959 177.571 176.600 0.020 0.000 1.168 329 E CA 0.085 56.542 56.400 0.094 0.000 1.033 329 E CB 0.079 29.786 29.700 0.012 0.000 1.095 329 E HN 0.285 nan 8.360 nan 0.000 0.436 330 T N -2.087 112.495 114.554 0.047 0.000 3.081 330 T HA 0.024 4.426 4.350 0.087 0.000 0.250 330 T C 0.782 175.472 174.700 -0.017 0.000 1.100 330 T CA -0.015 62.092 62.100 0.012 0.000 1.038 330 T CB 0.261 69.151 68.868 0.037 0.000 0.962 330 T HN -0.037 nan 8.240 nan 0.000 0.516 331 D N 0.988 121.371 120.400 -0.029 0.000 2.349 331 D HA 0.253 4.945 4.640 0.087 0.000 0.215 331 D C 0.497 176.754 176.300 -0.072 0.000 1.016 331 D CA 0.058 54.028 54.000 -0.049 0.000 0.870 331 D CB 0.063 40.828 40.800 -0.058 0.000 0.917 331 D HN 0.449 nan 8.370 nan 0.000 0.524 332 L N 0.956 122.128 121.223 -0.084 0.000 2.395 332 L HA 0.141 4.534 4.340 0.087 0.000 0.269 332 L C 0.696 177.492 176.870 -0.123 0.000 1.133 332 L CA -0.746 54.017 54.840 -0.128 0.000 0.812 332 L CB 0.645 42.618 42.059 -0.143 0.000 1.125 332 L HN -0.184 nan 8.230 nan 0.000 0.452 333 D N 3.212 123.519 120.400 -0.156 0.000 2.458 333 D HA 0.030 4.722 4.640 0.087 0.000 0.243 333 D C -1.674 174.565 176.300 -0.101 0.000 1.146 333 D CA -1.515 52.418 54.000 -0.111 0.000 0.877 333 D CB 1.473 42.200 40.800 -0.121 0.000 1.176 333 D HN 0.192 nan 8.370 nan 0.000 0.461 334 P HA -0.152 nan 4.420 nan 0.000 0.218 334 P C 1.515 178.749 177.300 -0.110 0.000 1.148 334 P CA 0.361 63.401 63.100 -0.100 0.000 0.822 334 P CB 0.232 31.885 31.700 -0.079 0.000 0.784 335 V N -0.668 119.219 119.914 -0.046 0.000 2.515 335 V HA -0.178 3.994 4.120 0.087 0.000 0.250 335 V C 2.038 178.145 176.094 0.021 0.000 1.058 335 V CA 1.515 63.810 62.300 -0.009 0.000 1.064 335 V CB -0.937 30.922 31.823 0.060 0.000 0.675 335 V HN -0.029 nan 8.190 nan 0.000 0.461 336 L N 0.588 121.818 121.223 0.012 0.000 2.049 336 L HA -0.004 4.389 4.340 0.087 0.000 0.203 336 L C 2.597 179.429 176.870 -0.064 0.000 1.074 336 L CA 2.441 57.275 54.840 -0.010 0.000 0.749 336 L CB -1.093 40.824 42.059 -0.237 0.000 0.907 336 L HN 0.290 nan 8.230 nan 0.000 0.439 337 R N -0.429 119.991 120.500 -0.134 0.000 2.105 337 R HA -0.179 4.213 4.340 0.087 0.000 0.239 337 R C 1.655 177.843 176.300 -0.187 0.000 1.135 337 R CA 1.660 57.656 56.100 -0.175 0.000 0.967 337 R CB -0.270 29.924 30.300 -0.177 0.000 0.861 337 R HN 0.458 nan 8.270 nan 0.000 0.442 338 N N -0.489 118.082 118.700 -0.214 0.000 2.573 338 N HA -0.058 4.734 4.740 0.087 0.000 0.187 338 N C 1.007 176.407 175.510 -0.184 0.000 1.107 338 N CA 1.155 54.027 53.050 -0.296 0.000 0.918 338 N CB 0.210 38.328 38.487 -0.615 0.000 0.966 338 N HN 0.403 nan 8.380 nan 0.000 0.448 339 G N -0.935 107.815 108.800 -0.083 0.000 3.159 339 G HA2 0.272 4.284 3.960 0.087 0.000 0.232 339 G HA3 0.272 4.284 3.960 0.087 0.000 0.232 339 G C 0.207 175.182 174.900 0.125 0.000 1.116 339 G CA -0.203 44.906 45.100 0.015 0.000 0.767 339 G HN 0.095 nan 8.290 nan 0.000 0.547 340 L N 0.853 122.069 121.223 -0.013 0.000 2.344 340 L HA 0.787 5.179 4.340 0.087 0.000 0.272 340 L C -0.220 176.576 176.870 -0.124 0.000 1.035 340 L CA -0.950 53.837 54.840 -0.089 0.000 0.807 340 L CB 2.182 44.094 42.059 -0.246 0.000 1.237 340 L HN 0.033 nan 8.230 nan 0.000 0.442 341 A N 2.110 124.896 122.820 -0.057 0.000 2.442 341 A HA 0.713 5.085 4.320 0.087 0.000 0.284 341 A C -1.120 176.584 177.584 0.199 0.000 1.058 341 A CA -0.462 51.571 52.037 -0.006 0.000 0.738 341 A CB 0.750 19.807 19.000 0.095 0.000 1.242 341 A HN 0.391 nan 8.150 nan 0.000 0.421 342 F N 1.208 121.096 119.950 -0.103 0.000 2.363 342 F HA 0.701 5.281 4.527 0.089 0.000 0.332 342 F C 2.026 177.787 175.800 -0.065 0.000 1.039 342 F CA -0.602 57.321 58.000 -0.128 0.000 1.127 342 F CB -0.122 38.802 39.000 -0.127 0.000 1.701 342 F HN 0.625 nan 8.300 nan 0.000 0.532 343 A N 0.343 123.247 122.820 0.140 0.000 1.869 343 A HA -0.236 4.136 4.320 0.087 0.000 0.218 343 A C 1.849 179.518 177.584 0.141 0.000 1.203 343 A CA 2.519 54.590 52.037 0.056 0.000 0.638 343 A CB -1.100 17.813 19.000 -0.145 0.000 0.831 343 A HN 0.687 nan 8.150 nan 0.000 0.450 344 D N -0.657 119.839 120.400 0.159 0.000 2.144 344 D HA -0.082 4.610 4.640 0.087 0.000 0.199 344 D C 1.918 178.283 176.300 0.109 0.000 0.984 344 D CA 1.520 55.615 54.000 0.158 0.000 0.834 344 D CB -0.394 40.486 40.800 0.133 0.000 0.955 344 D HN 0.552 nan 8.370 nan 0.000 0.465 345 E N 0.543 120.795 120.200 0.087 0.000 2.150 345 E HA -0.079 4.323 4.350 0.087 0.000 0.193 345 E C 1.855 178.525 176.600 0.116 0.000 0.985 345 E CA 0.782 57.228 56.400 0.077 0.000 0.814 345 E CB -0.027 29.690 29.700 0.028 0.000 0.752 345 E HN 0.246 nan 8.360 nan 0.000 0.466 346 K N 0.027 120.502 120.400 0.125 0.000 2.217 346 K HA -0.003 4.370 4.320 0.087 0.000 0.202 346 K C 1.879 178.550 176.600 0.120 0.000 1.051 346 K CA 0.591 56.959 56.287 0.135 0.000 0.952 346 K CB -0.028 32.549 32.500 0.129 0.000 0.736 346 K HN 0.115 nan 8.250 nan 0.000 0.453 347 L N 0.373 121.662 121.223 0.110 0.000 2.093 347 L HA -0.150 4.242 4.340 0.087 0.000 0.208 347 L C 2.225 179.140 176.870 0.076 0.000 1.085 347 L CA 1.160 56.052 54.840 0.086 0.000 0.755 347 L CB -0.688 41.418 42.059 0.078 0.000 0.904 347 L HN 0.140 nan 8.230 nan 0.000 0.435 348 T N -0.900 113.709 114.554 0.092 0.000 2.812 348 T HA -0.142 4.260 4.350 0.087 0.000 0.264 348 T C 1.757 176.531 174.700 0.123 0.000 1.042 348 T CA 1.106 63.264 62.100 0.097 0.000 1.140 348 T CB -0.101 68.832 68.868 0.108 0.000 0.870 348 T HN 0.360 nan 8.240 nan 0.000 0.445 349 E N 0.357 120.654 120.200 0.163 0.000 2.077 349 E HA -0.093 4.309 4.350 0.087 0.000 0.193 349 E C 2.309 178.960 176.600 0.084 0.000 0.989 349 E CA 0.813 57.347 56.400 0.223 0.000 0.800 349 E CB -0.251 29.618 29.700 0.282 0.000 0.746 349 E HN 0.164 nan 8.360 nan 0.000 0.452 350 V N 1.183 121.135 119.914 0.063 0.000 2.427 350 V HA -0.243 3.929 4.120 0.087 0.000 0.248 350 V C 2.268 178.345 176.094 -0.029 0.000 1.051 350 V CA 1.825 64.131 62.300 0.009 0.000 1.048 350 V CB -0.135 31.705 31.823 0.029 0.000 0.666 350 V HN 0.098 nan 8.190 nan 0.000 0.456 351 K N 0.442 120.839 120.400 -0.005 0.000 2.057 351 K HA -0.132 4.241 4.320 0.087 0.000 0.206 351 K C 2.188 178.766 176.600 -0.036 0.000 1.050 351 K CA 1.666 57.943 56.287 -0.018 0.000 0.935 351 K CB -0.347 32.158 32.500 0.007 0.000 0.715 351 K HN 0.395 nan 8.250 nan 0.000 0.439 352 R N -0.113 120.374 120.500 -0.022 0.000 2.092 352 R HA 0.029 4.421 4.340 0.087 0.000 0.231 352 R C 2.341 178.539 176.300 -0.169 0.000 1.119 352 R CA 1.294 57.373 56.100 -0.036 0.000 0.970 352 R CB -0.356 29.993 30.300 0.082 0.000 0.864 352 R HN 0.159 nan 8.270 nan 0.000 0.440 353 L N 0.113 121.164 121.223 -0.287 0.000 2.046 353 L HA -0.187 4.205 4.340 0.087 0.000 0.208 353 L C 2.632 179.391 176.870 -0.186 0.000 1.077 353 L CA 1.368 56.011 54.840 -0.327 0.000 0.747 353 L CB -0.522 41.348 42.059 -0.315 0.000 0.896 353 L HN 0.255 nan 8.230 nan 0.000 0.432 354 A N -0.276 122.458 122.820 -0.142 0.000 1.898 354 A HA -0.204 4.169 4.320 0.087 0.000 0.216 354 A C 2.155 179.669 177.584 -0.117 0.000 1.181 354 A CA 1.516 53.480 52.037 -0.122 0.000 0.620 354 A CB -0.414 18.521 19.000 -0.107 0.000 0.819 354 A HN 0.427 nan 8.150 nan 0.000 0.442 355 E N -1.677 118.462 120.200 -0.102 0.000 2.204 355 E HA -0.208 4.194 4.350 0.087 0.000 0.194 355 E C 1.773 178.291 176.600 -0.137 0.000 0.989 355 E CA 1.220 57.561 56.400 -0.098 0.000 0.824 355 E CB -0.174 29.488 29.700 -0.063 0.000 0.756 355 E HN 0.889 nan 8.360 nan 0.000 0.477 356 H N -0.182 118.712 119.070 -0.293 0.000 2.482 356 H HA 0.013 4.621 4.556 0.087 0.000 0.286 356 H C 1.859 176.996 175.328 -0.319 0.000 1.017 356 H CA 0.543 56.336 56.048 -0.424 0.000 1.322 356 H CB 0.241 29.504 29.762 -0.832 0.000 1.426 356 H HN 0.075 nan 8.280 nan 0.000 0.546 357 L N 0.339 121.441 121.223 -0.201 0.000 2.109 357 L HA -0.057 4.335 4.340 0.087 0.000 0.207 357 L C 0.892 177.645 176.870 -0.195 0.000 1.086 357 L CA 1.644 56.372 54.840 -0.187 0.000 0.760 357 L CB -0.194 41.785 42.059 -0.133 0.000 0.910 357 L HN 0.219 nan 8.230 nan 0.000 0.437 358 D N 0.164 120.459 120.400 -0.174 0.000 2.352 358 D HA 0.135 4.827 4.640 0.087 0.000 0.232 358 D C 1.557 177.756 176.300 -0.169 0.000 1.055 358 D CA 0.915 54.827 54.000 -0.146 0.000 0.891 358 D CB -0.126 40.606 40.800 -0.113 0.000 0.897 358 D HN 0.482 nan 8.370 nan 0.000 0.529 359 G N 1.359 110.008 108.800 -0.250 0.000 2.153 359 G HA2 -0.346 3.666 3.960 0.087 0.000 0.252 359 G HA3 -0.346 3.666 3.960 0.087 0.000 0.252 359 G C 0.294 175.071 174.900 -0.206 0.000 0.994 359 G CA -0.262 44.678 45.100 -0.267 0.000 0.698 359 G HN 0.300 nan 8.290 nan 0.000 0.521 360 R N 0.495 120.886 120.500 -0.182 0.000 2.357 360 R HA 0.381 4.773 4.340 0.087 0.000 0.296 360 R C -0.044 176.191 176.300 -0.109 0.000 1.052 360 R CA -0.483 55.546 56.100 -0.118 0.000 0.988 360 R CB 0.683 30.933 30.300 -0.084 0.000 1.025 360 R HN 0.266 nan 8.270 nan 0.000 0.469 361 E N 2.110 122.272 120.200 -0.063 0.000 2.259 361 E HA 0.101 4.503 4.350 0.087 0.000 0.281 361 E C -0.758 175.851 176.600 0.015 0.000 1.027 361 E CA -0.084 56.303 56.400 -0.022 0.000 0.838 361 E CB 1.351 31.044 29.700 -0.011 0.000 1.066 361 E HN 0.401 nan 8.360 nan 0.000 0.401 362 D N 3.341 123.777 120.400 0.059 0.000 2.890 362 D HA 0.222 4.914 4.640 0.087 0.000 0.233 362 D C -2.132 174.247 176.300 0.132 0.000 1.306 362 D CA -1.981 52.069 54.000 0.085 0.000 0.929 362 D CB 1.966 42.819 40.800 0.088 0.000 1.512 362 D HN -0.065 nan 8.370 nan 0.000 0.568 363 P HA -0.056 nan 4.420 nan 0.000 0.218 363 P C 1.112 178.487 177.300 0.124 0.000 1.148 363 P CA 1.139 64.299 63.100 0.100 0.000 0.822 363 P CB 0.281 32.020 31.700 0.065 0.000 0.784 364 A N -1.421 121.484 122.820 0.142 0.000 1.978 364 A HA -0.250 4.122 4.320 0.087 0.000 0.220 364 A C 2.220 179.948 177.584 0.241 0.000 1.170 364 A CA 1.433 53.571 52.037 0.168 0.000 0.636 364 A CB -1.736 17.366 19.000 0.171 0.000 0.810 364 A HN 0.179 nan 8.150 nan 0.000 0.448 365 Y N 0.974 121.362 120.300 0.148 0.000 2.070 365 Y HA -0.243 4.359 4.550 0.087 0.000 0.280 365 Y C 2.007 178.012 175.900 0.174 0.000 1.148 365 Y CA 2.298 60.513 58.100 0.192 0.000 1.125 365 Y CB -0.239 38.248 38.460 0.045 0.000 0.975 365 Y HN 0.336 nan 8.280 nan 0.000 0.492 366 D N -0.129 120.376 120.400 0.175 0.000 2.178 366 D HA -0.153 4.539 4.640 0.087 0.000 0.202 366 D C 2.143 178.423 176.300 -0.034 0.000 0.974 366 D CA 1.023 55.048 54.000 0.041 0.000 0.841 366 D CB -0.452 40.407 40.800 0.097 0.000 0.953 366 D HN 0.346 nan 8.370 nan 0.000 0.478 367 L N 0.822 122.033 121.223 -0.021 0.000 2.046 367 L HA -0.171 4.221 4.340 0.087 0.000 0.208 367 L C 2.183 178.937 176.870 -0.193 0.000 1.077 367 L CA 1.778 56.532 54.840 -0.144 0.000 0.747 367 L CB -0.811 41.192 42.059 -0.094 0.000 0.896 367 L HN 0.181 nan 8.230 nan 0.000 0.432 368 H N -0.190 118.781 119.070 -0.166 0.000 2.319 368 H HA -0.162 4.446 4.556 0.087 0.000 0.299 368 H C 2.282 177.455 175.328 -0.259 0.000 1.092 368 H CA 2.499 58.406 56.048 -0.234 0.000 1.302 368 H CB -0.018 29.471 29.762 -0.454 0.000 1.373 368 H HN 0.430 nan 8.280 nan 0.000 0.497 369 I N 0.822 121.328 120.570 -0.107 0.000 2.286 369 I HA -0.265 3.957 4.170 0.087 0.000 0.248 369 I C 3.016 179.118 176.117 -0.025 0.000 1.115 369 I CA 1.020 62.270 61.300 -0.084 0.000 1.392 369 I CB -0.446 37.475 38.000 -0.132 0.000 1.065 369 I HN 0.265 nan 8.210 nan 0.000 0.418 370 A N 0.229 122.993 122.820 -0.095 0.000 1.877 370 A HA -0.263 4.110 4.320 0.087 0.000 0.216 370 A C 2.103 179.652 177.584 -0.058 0.000 1.186 370 A CA 1.829 53.805 52.037 -0.101 0.000 0.620 370 A CB -1.202 17.686 19.000 -0.188 0.000 0.822 370 A HN 0.475 nan 8.150 nan 0.000 0.443 371 H N -2.848 116.174 119.070 -0.080 0.000 2.387 371 H HA -0.106 4.502 4.556 0.087 0.000 0.299 371 H C 1.888 177.145 175.328 -0.118 0.000 1.090 371 H CA 1.344 57.325 56.048 -0.112 0.000 1.332 371 H CB -0.165 29.502 29.762 -0.158 0.000 1.386 371 H HN 0.575 nan 8.280 nan 0.000 0.516 372 F N 1.911 121.762 119.950 -0.164 0.000 2.069 372 F HA -0.256 4.323 4.527 0.087 0.000 0.298 372 F C 1.833 177.581 175.800 -0.088 0.000 1.113 372 F CA 1.634 59.537 58.000 -0.162 0.000 1.214 372 F CB -0.100 38.778 39.000 -0.204 0.000 0.978 372 F HN 0.090 nan 8.300 nan 0.000 0.474 373 D N 0.325 120.782 120.400 0.096 0.000 2.178 373 D HA -0.142 4.550 4.640 0.087 0.000 0.201 373 D C 2.346 178.595 176.300 -0.084 0.000 0.980 373 D CA 1.308 55.318 54.000 0.017 0.000 0.842 373 D CB -0.656 40.174 40.800 0.050 0.000 0.948 373 D HN 0.399 nan 8.370 nan 0.000 0.472 374 A N 0.829 123.611 122.820 -0.064 0.000 1.902 374 A HA -0.147 4.225 4.320 0.087 0.000 0.217 374 A C 2.151 179.651 177.584 -0.141 0.000 1.181 374 A CA 1.019 53.013 52.037 -0.073 0.000 0.623 374 A CB -0.719 18.277 19.000 -0.007 0.000 0.818 374 A HN 0.248 nan 8.150 nan 0.000 0.443 375 L N -0.210 120.913 121.223 -0.165 0.000 2.012 375 L HA -0.214 4.178 4.340 0.087 0.000 0.210 375 L C 2.443 179.145 176.870 -0.280 0.000 1.073 375 L CA 2.415 57.148 54.840 -0.178 0.000 0.748 375 L CB -0.761 41.196 42.059 -0.170 0.000 0.891 375 L HN 0.409 nan 8.230 nan 0.000 0.431 376 Q N 0.095 119.689 119.800 -0.342 0.000 2.152 376 Q HA -0.144 4.249 4.340 0.087 0.000 0.206 376 Q C 2.161 178.019 176.000 -0.237 0.000 0.985 376 Q CA 1.822 57.448 55.803 -0.295 0.000 0.863 376 Q CB -0.939 27.644 28.738 -0.259 0.000 0.904 376 Q HN 0.686 nan 8.270 nan 0.000 0.422 377 A N 0.530 123.220 122.820 -0.215 0.000 2.218 377 A HA 0.381 4.754 4.320 0.087 0.000 0.209 377 A C 1.047 178.479 177.584 -0.255 0.000 1.168 377 A CA 0.441 52.367 52.037 -0.185 0.000 0.804 377 A CB -0.240 18.684 19.000 -0.125 0.000 0.834 377 A HN 0.268 nan 8.150 nan 0.000 0.482 378 A N 0.362 122.938 122.820 -0.406 0.000 2.520 378 A HA 0.231 4.603 4.320 0.087 0.000 0.235 378 A C 0.850 178.091 177.584 -0.573 0.000 1.065 378 A CA 0.221 51.884 52.037 -0.624 0.000 0.764 378 A CB 0.177 18.395 19.000 -1.303 0.000 1.002 378 A HN 0.379 nan 8.150 nan 0.000 0.502 379 D N 1.336 121.506 120.400 -0.384 0.000 2.133 379 D HA -0.220 4.473 4.640 0.087 0.000 0.195 379 D C 1.474 177.688 176.300 -0.143 0.000 0.997 379 D CA 2.301 56.190 54.000 -0.186 0.000 0.840 379 D CB -0.401 40.366 40.800 -0.055 0.000 0.947 379 D HN 0.784 nan 8.370 nan 0.000 0.452 380 F N 0.402 120.374 119.950 0.037 0.000 2.408 380 F HA 0.061 4.640 4.527 0.087 0.000 0.300 380 F C 1.663 177.455 175.800 -0.013 0.000 1.090 380 F CA 0.488 58.512 58.000 0.040 0.000 1.427 380 F CB -0.636 38.450 39.000 0.143 0.000 1.070 380 F HN -0.222 nan 8.300 nan 0.000 0.549 381 R N 0.375 120.806 120.500 -0.115 0.000 2.466 381 R HA 0.126 4.518 4.340 0.087 0.000 0.279 381 R C 0.205 176.455 176.300 -0.083 0.000 0.976 381 R CA 0.160 56.227 56.100 -0.055 0.000 1.081 381 R CB -0.433 29.788 30.300 -0.133 0.000 1.215 381 R HN 0.248 nan 8.270 nan 0.000 0.546 382 N N -0.119 118.540 118.700 -0.069 0.000 2.387 382 N HA 0.048 4.841 4.740 0.087 0.000 0.259 382 N C -0.932 174.566 175.510 -0.019 0.000 1.369 382 N CA -0.050 52.968 53.050 -0.053 0.000 0.867 382 N CB 0.894 39.335 38.487 -0.077 0.000 1.341 382 N HN -0.187 nan 8.380 nan 0.000 0.495 383 V N 1.328 121.246 119.914 0.006 0.000 2.637 383 V HA 0.115 4.288 4.120 0.087 0.000 0.296 383 V C 0.679 176.783 176.094 0.017 0.000 1.046 383 V CA -0.271 62.042 62.300 0.023 0.000 1.066 383 V CB 0.819 32.669 31.823 0.044 0.000 0.968 383 V HN 0.196 nan 8.190 nan 0.000 0.483 384 K N 5.669 126.080 120.400 0.017 0.000 2.284 384 K HA 0.433 4.805 4.320 0.087 0.000 0.287 384 K C -0.752 175.862 176.600 0.024 0.000 1.081 384 K CA 0.188 56.484 56.287 0.016 0.000 0.910 384 K CB -0.131 32.377 32.500 0.013 0.000 1.088 384 K HN 0.597 nan 8.250 nan 0.000 0.478 385 L N 1.922 123.160 121.223 0.025 0.000 2.376 385 L HA 0.424 4.816 4.340 0.087 0.000 0.267 385 L C 0.577 177.464 176.870 0.029 0.000 1.035 385 L CA -1.206 53.654 54.840 0.032 0.000 0.800 385 L CB 0.912 42.994 42.059 0.038 0.000 1.290 385 L HN 0.647 nan 8.230 nan 0.000 0.462 386 E N 0.901 121.120 120.200 0.031 0.000 2.452 386 E HA -0.121 4.281 4.350 0.087 0.000 0.261 386 E C -0.701 175.914 176.600 0.025 0.000 0.987 386 E CA -0.352 56.063 56.400 0.025 0.000 0.926 386 E CB 0.580 30.293 29.700 0.021 0.000 0.934 386 E HN 0.364 nan 8.360 nan 0.000 0.452 387 D N 4.423 124.836 120.400 0.021 0.000 2.358 387 D HA -0.030 4.662 4.640 0.087 0.000 0.258 387 D C 0.873 177.188 176.300 0.027 0.000 1.223 387 D CA 0.219 54.232 54.000 0.022 0.000 0.886 387 D CB 0.660 41.471 40.800 0.017 0.000 1.120 387 D HN 0.523 nan 8.370 nan 0.000 0.482 388 L N 3.037 124.282 121.223 0.036 0.000 2.362 388 L HA -0.155 4.237 4.340 0.087 0.000 0.219 388 L C 2.344 179.242 176.870 0.048 0.000 1.134 388 L CA 0.943 55.813 54.840 0.050 0.000 0.807 388 L CB -0.313 41.791 42.059 0.075 0.000 0.927 388 L HN 0.432 nan 8.230 nan 0.000 0.447 389 S N -0.427 115.294 115.700 0.036 0.000 2.481 389 S HA -0.087 4.436 4.470 0.087 0.000 0.231 389 S C 1.639 176.253 174.600 0.023 0.000 0.996 389 S CA 0.313 58.532 58.200 0.032 0.000 0.942 389 S CB -0.159 63.056 63.200 0.025 0.000 0.768 389 S HN 0.448 nan 8.310 nan 0.000 0.520 390 R N 0.709 121.220 120.500 0.019 0.000 2.609 390 R HA 0.407 4.800 4.340 0.087 0.000 0.326 390 R C -1.089 175.215 176.300 0.006 0.000 1.090 390 R CA -0.089 56.017 56.100 0.011 0.000 1.072 390 R CB 0.764 31.069 30.300 0.009 0.000 1.330 390 R HN 0.251 nan 8.270 nan 0.000 0.572 391 V N 1.046 120.965 119.914 0.009 0.000 2.531 391 V HA 0.422 4.595 4.120 0.087 0.000 0.301 391 V C 0.098 176.187 176.094 -0.009 0.000 1.034 391 V CA -1.238 61.060 62.300 -0.002 0.000 0.865 391 V CB 1.694 33.519 31.823 0.004 0.000 0.995 391 V HN 0.274 nan 8.190 nan 0.000 0.424 392 A N 3.242 126.047 122.820 -0.025 0.000 2.462 392 A HA 0.505 4.877 4.320 0.087 0.000 0.243 392 A C 0.980 178.532 177.584 -0.054 0.000 1.076 392 A CA 0.347 52.363 52.037 -0.035 0.000 0.773 392 A CB 0.182 19.155 19.000 -0.044 0.000 1.010 392 A HN 0.938 nan 8.150 nan 0.000 0.493 393 T N -0.071 114.451 114.554 -0.052 0.000 3.040 393 T HA 0.269 4.671 4.350 0.087 0.000 0.266 393 T C 0.191 174.826 174.700 -0.108 0.000 1.005 393 T CA 0.312 62.370 62.100 -0.070 0.000 0.906 393 T CB -0.095 68.746 68.868 -0.046 0.000 1.082 393 T HN 0.606 nan 8.240 nan 0.000 0.531 394 K N 1.546 121.882 120.400 -0.108 0.000 2.535 394 K HA 0.463 4.836 4.320 0.087 0.000 0.251 394 K C -1.191 175.345 176.600 -0.107 0.000 0.942 394 K CA -0.920 55.282 56.287 -0.140 0.000 0.798 394 K CB 1.340 33.789 32.500 -0.085 0.000 1.267 394 K HN 0.291 nan 8.250 nan 0.000 0.434 395 R N 3.479 123.908 120.500 -0.119 0.000 2.643 395 R HA 0.164 4.557 4.340 0.087 0.000 0.270 395 R C -1.497 174.767 176.300 -0.060 0.000 1.061 395 R CA -1.322 54.729 56.100 -0.082 0.000 1.107 395 R CB 0.372 30.625 30.300 -0.079 0.000 0.999 395 R HN 0.449 nan 8.270 nan 0.000 0.460 396 P HA -0.125 nan 4.420 nan 0.000 0.214 396 P C -0.239 177.043 177.300 -0.032 0.000 1.163 396 P CA 1.369 64.449 63.100 -0.034 0.000 0.889 396 P CB 0.307 31.991 31.700 -0.027 0.000 0.790 397 S N 0.181 115.862 115.700 -0.032 0.000 2.525 397 S HA 0.267 4.789 4.470 0.087 0.000 0.290 397 S C -0.159 174.419 174.600 -0.037 0.000 1.152 397 S CA -0.801 57.382 58.200 -0.029 0.000 1.072 397 S CB 0.717 63.903 63.200 -0.023 0.000 1.027 397 S HN 0.182 nan 8.310 nan 0.000 0.500 398 D N 1.077 121.455 120.400 -0.037 0.000 2.393 398 D HA 0.173 4.865 4.640 0.087 0.000 0.246 398 D C 1.662 177.935 176.300 -0.045 0.000 1.275 398 D CA -0.381 53.593 54.000 -0.044 0.000 0.979 398 D CB -0.295 40.480 40.800 -0.042 0.000 1.101 398 D HN 0.354 nan 8.370 nan 0.000 0.505 399 F N -0.607 119.310 119.950 -0.055 0.000 2.043 399 F HA 0.013 4.592 4.527 0.087 0.000 0.297 399 F C 2.825 178.595 175.800 -0.049 0.000 1.121 399 F CA 2.824 60.788 58.000 -0.059 0.000 1.199 399 F CB -1.526 37.421 39.000 -0.089 0.000 0.968 399 F HN 0.707 nan 8.300 nan 0.000 0.478 400 A N -0.376 122.414 122.820 -0.051 0.000 1.892 400 A HA -0.254 4.119 4.320 0.087 0.000 0.218 400 A C 2.193 179.759 177.584 -0.030 0.000 1.188 400 A CA 2.353 54.365 52.037 -0.041 0.000 0.631 400 A CB -1.137 17.840 19.000 -0.039 0.000 0.822 400 A HN 0.709 nan 8.150 nan 0.000 0.447 401 K N -0.676 119.708 120.400 -0.028 0.000 2.217 401 K HA -0.080 4.292 4.320 0.087 0.000 0.202 401 K C 2.153 178.742 176.600 -0.018 0.000 1.051 401 K CA 1.021 57.295 56.287 -0.021 0.000 0.952 401 K CB -0.116 32.371 32.500 -0.020 0.000 0.736 401 K HN 0.470 nan 8.250 nan 0.000 0.453 402 R N -0.014 120.475 120.500 -0.020 0.000 2.119 402 R HA -0.023 4.370 4.340 0.087 0.000 0.222 402 R C 2.451 178.748 176.300 -0.005 0.000 1.088 402 R CA 0.830 56.923 56.100 -0.012 0.000 0.984 402 R CB -0.202 30.090 30.300 -0.013 0.000 0.884 402 R HN 0.178 nan 8.270 nan 0.000 0.447 403 R N 1.152 121.645 120.500 -0.011 0.000 2.091 403 R HA -0.157 4.235 4.340 0.087 0.000 0.238 403 R C 1.193 177.486 176.300 -0.011 0.000 1.136 403 R CA 1.980 58.077 56.100 -0.004 0.000 0.959 403 R CB -0.043 30.248 30.300 -0.014 0.000 0.856 403 R HN 0.134 nan 8.270 nan 0.000 0.437 404 D N 0.524 120.913 120.400 -0.019 0.000 2.078 404 D HA -0.162 4.531 4.640 0.087 0.000 0.193 404 D C 1.982 178.266 176.300 -0.026 0.000 0.990 404 D CA 1.429 55.412 54.000 -0.027 0.000 0.827 404 D CB -0.348 40.439 40.800 -0.022 0.000 0.975 404 D HN 0.291 nan 8.370 nan 0.000 0.451 405 I N 0.859 121.421 120.570 -0.013 0.000 2.248 405 I HA -0.331 3.891 4.170 0.087 0.000 0.248 405 I C 2.413 178.531 176.117 0.001 0.000 1.107 405 I CA 1.345 62.642 61.300 -0.004 0.000 1.373 405 I CB -0.263 37.737 38.000 -0.000 0.000 1.055 405 I HN 0.053 nan 8.210 nan 0.000 0.418 406 Q N 0.035 119.838 119.800 0.006 0.000 2.083 406 Q HA -0.211 4.181 4.340 0.087 0.000 0.198 406 Q C 2.630 178.632 176.000 0.003 0.000 0.969 406 Q CA 1.732 57.550 55.803 0.025 0.000 0.838 406 Q CB -0.343 28.426 28.738 0.053 0.000 0.900 406 Q HN 0.674 nan 8.270 nan 0.000 0.436 407 Q N 0.885 120.662 119.800 -0.038 0.000 2.170 407 Q HA -0.199 4.193 4.340 0.087 0.000 0.203 407 Q C 1.891 177.736 176.000 -0.258 0.000 0.976 407 Q CA 1.955 57.679 55.803 -0.131 0.000 0.858 407 Q CB -1.351 27.301 28.738 -0.142 0.000 0.907 407 Q HN 0.696 nan 8.270 nan 0.000 0.433 408 E N 0.838 120.953 120.200 -0.141 0.000 2.274 408 E HA -0.077 4.325 4.350 0.087 0.000 0.194 408 E C 1.839 178.487 176.600 0.080 0.000 0.996 408 E CA 1.381 57.744 56.400 -0.060 0.000 0.840 408 E CB -0.239 29.465 29.700 0.005 0.000 0.772 408 E HN 0.746 nan 8.360 nan 0.000 0.491 409 K N -1.046 119.384 120.400 0.051 0.000 2.308 409 K HA 0.237 4.610 4.320 0.087 0.000 0.197 409 K C 1.862 178.524 176.600 0.103 0.000 1.049 409 K CA 0.310 56.646 56.287 0.082 0.000 0.991 409 K CB 0.223 32.754 32.500 0.052 0.000 0.836 409 K HN 0.372 nan 8.250 nan 0.000 0.500 410 L N -0.789 120.484 121.223 0.083 0.000 2.425 410 L HA 0.133 4.525 4.340 0.087 0.000 0.215 410 L C 0.041 176.988 176.870 0.129 0.000 1.065 410 L CA 0.072 54.967 54.840 0.092 0.000 0.842 410 L CB -0.011 42.100 42.059 0.087 0.000 1.033 410 L HN 0.232 nan 8.230 nan 0.000 0.474 411 H N 0.554 119.630 119.070 0.010 0.000 2.557 411 H HA -0.157 4.452 4.556 0.087 0.000 0.319 411 H C -0.234 175.077 175.328 -0.028 0.000 1.102 411 H CA 0.083 56.127 56.048 -0.008 0.000 1.126 411 H CB -1.542 28.215 29.762 -0.007 0.000 1.498 411 H HN 0.150 nan 8.280 nan 0.000 0.411 412 L N 1.584 122.811 121.223 0.006 0.000 2.426 412 L HA 0.224 4.616 4.340 0.087 0.000 0.271 412 L C -1.029 175.785 176.870 -0.095 0.000 1.169 412 L CA -1.792 53.007 54.840 -0.068 0.000 0.836 412 L CB 0.282 42.243 42.059 -0.162 0.000 1.112 412 L HN 0.184 nan 8.230 nan 0.000 0.465 413 P HA 0.012 nan 4.420 nan 0.000 0.270 413 P C -0.462 176.757 177.300 -0.135 0.000 1.223 413 P CA -0.692 62.355 63.100 -0.088 0.000 0.785 413 P CB 0.716 32.369 31.700 -0.080 0.000 0.923 414 L N 3.163 124.332 121.223 -0.090 0.000 2.543 414 L HA -0.063 4.329 4.340 0.087 0.000 0.285 414 L C 0.489 177.289 176.870 -0.117 0.000 1.236 414 L CA 0.370 55.158 54.840 -0.086 0.000 0.871 414 L CB -0.960 41.075 42.059 -0.040 0.000 1.121 414 L HN 0.319 nan 8.230 nan 0.000 0.501 415 L N 4.235 125.383 121.223 -0.126 0.000 3.790 415 L HA -0.193 4.199 4.340 0.087 0.000 0.602 415 L C -2.114 174.620 176.870 -0.225 0.000 1.172 415 L CA -0.542 54.223 54.840 -0.125 0.000 0.901 415 L CB -1.512 40.524 42.059 -0.038 0.000 1.342 415 L HN 0.583 nan 8.230 nan 0.000 0.820 416 P HA 0.184 nan 4.420 nan 0.000 0.271 416 P C 0.164 177.314 177.300 -0.251 0.000 1.218 416 P CA -0.097 62.687 63.100 -0.528 0.000 0.780 416 P CB 0.834 31.805 31.700 -1.214 0.000 0.901 417 T N -1.071 113.425 114.554 -0.097 0.000 2.929 417 T HA 0.749 5.151 4.350 0.087 0.000 0.284 417 T C -0.178 174.601 174.700 0.133 0.000 1.014 417 T CA -0.416 61.711 62.100 0.045 0.000 1.051 417 T CB 1.349 70.239 68.868 0.037 0.000 1.028 417 T HN 0.519 nan 8.240 nan 0.000 0.485 418 T N 0.057 114.724 114.554 0.187 0.000 2.648 418 T HA 0.589 4.991 4.350 0.087 0.000 0.300 418 T C -1.489 173.288 174.700 0.128 0.000 1.751 418 T CA -0.121 62.095 62.100 0.193 0.000 0.959 418 T CB 0.975 70.033 68.868 0.315 0.000 1.888 418 T HN 1.343 nan 8.240 nan 0.000 0.480 419 T N -1.516 113.068 114.554 0.050 0.000 2.906 419 T HA 0.697 5.100 4.350 0.087 0.000 0.295 419 T C 1.581 176.174 174.700 -0.178 0.000 1.075 419 T CA -0.035 62.033 62.100 -0.053 0.000 1.005 419 T CB 0.728 69.549 68.868 -0.077 0.000 1.136 419 T HN 1.257 nan 8.240 nan 0.000 0.498 420 I N -0.293 120.119 120.570 -0.264 0.000 3.241 420 I HA 0.522 4.744 4.170 0.087 0.000 0.280 420 I C 1.959 177.829 176.117 -0.411 0.000 1.320 420 I CA 1.113 62.164 61.300 -0.416 0.000 1.413 420 I CB -1.862 35.769 38.000 -0.615 0.000 1.060 420 I HN 1.559 nan 8.210 nan 0.000 0.500 421 G N -0.307 108.218 108.800 -0.459 0.000 2.541 421 G HA2 -0.011 4.002 3.960 0.087 0.000 0.201 421 G HA3 -0.011 4.002 3.960 0.087 0.000 0.201 421 G C 0.543 174.972 174.900 -0.785 0.000 1.026 421 G CA 0.371 45.151 45.100 -0.534 0.000 0.687 421 G HN 1.655 nan 8.290 nan 0.000 0.492 422 S N 0.874 116.148 115.700 -0.710 0.000 2.525 422 S HA 0.857 5.379 4.470 0.087 0.000 0.290 422 S C -0.765 173.337 174.600 -0.830 0.000 1.152 422 S CA -0.676 57.077 58.200 -0.746 0.000 1.072 422 S CB 2.079 65.012 63.200 -0.444 0.000 1.027 422 S HN 0.358 nan 8.310 nan 0.000 0.500 423 F N 0.710 120.212 119.950 -0.747 0.000 2.575 423 F HA 0.606 5.185 4.527 0.087 0.000 0.330 423 F C -2.524 172.949 175.800 -0.546 0.000 1.056 423 F CA -2.605 54.910 58.000 -0.809 0.000 0.964 423 F CB 0.641 38.777 39.000 -1.440 0.000 1.258 423 F HN 0.321 nan 8.300 nan 0.000 0.484 424 P HA 0.200 nan 4.420 nan 0.000 0.264 424 P C -0.791 176.611 177.300 0.170 0.000 1.193 424 P CA 0.190 63.323 63.100 0.054 0.000 0.763 424 P CB 0.077 31.863 31.700 0.144 0.000 0.810 425 Q N 2.309 122.203 119.800 0.158 0.000 2.303 425 Q HA 0.537 4.929 4.340 0.087 0.000 0.257 425 Q C 0.521 176.635 176.000 0.191 0.000 0.941 425 Q CA -0.660 55.282 55.803 0.232 0.000 0.931 425 Q CB 0.264 29.115 28.738 0.187 0.000 1.215 425 Q HN 0.608 nan 8.270 nan 0.000 0.437 430 R N 2.596 123.201 120.500 0.173 0.000 2.148 430 R HA 0.156 4.549 4.340 0.087 0.000 0.227 430 R C 2.341 178.706 176.300 0.109 0.000 1.103 430 R CA 2.869 59.059 56.100 0.149 0.000 0.983 430 R CB -1.293 29.085 30.300 0.131 0.000 0.874 430 R HN 2.466 nan 8.270 nan 0.000 0.451 431 R N 0.100 120.650 120.500 0.084 0.000 2.115 431 R HA -0.058 4.334 4.340 0.087 0.000 0.230 431 R C 2.596 178.896 176.300 -0.001 0.000 1.111 431 R CA 2.030 58.157 56.100 0.045 0.000 0.976 431 R CB -1.627 28.699 30.300 0.043 0.000 0.870 431 R HN 0.592 nan 8.270 nan 0.000 0.445 432 T N -0.182 114.333 114.554 -0.066 0.000 2.812 432 T HA 0.114 4.516 4.350 0.087 0.000 0.264 432 T C 1.813 176.488 174.700 -0.042 0.000 1.042 432 T CA 1.139 63.100 62.100 -0.231 0.000 1.140 432 T CB -0.432 67.917 68.868 -0.866 0.000 0.870 432 T HN 0.863 nan 8.240 nan 0.000 0.445 440 D N -2.257 118.135 120.400 -0.013 0.000 2.613 440 D HA 0.831 5.523 4.640 0.087 0.000 0.230 440 D C -0.412 175.915 176.300 0.045 0.000 1.365 440 D CA 0.387 54.383 54.000 -0.007 0.000 0.976 440 D CB 0.849 41.640 40.800 -0.016 0.000 1.415 440 D HN 2.111 nan 8.370 nan 0.000 0.589 441 I N 0.268 120.900 120.570 0.104 0.000 2.752 441 I HA 0.857 5.080 4.170 0.087 0.000 0.295 441 I C 0.710 176.962 176.117 0.225 0.000 1.219 441 I CA -0.685 60.703 61.300 0.145 0.000 1.030 441 I CB 1.227 39.318 38.000 0.151 0.000 1.259 441 I HN 1.027 nan 8.210 nan 0.000 0.423 442 S N 2.266 118.068 115.700 0.170 0.000 2.558 442 S HA 0.377 4.899 4.470 0.087 0.000 0.287 442 S C 1.071 175.840 174.600 0.282 0.000 1.321 442 S CA 0.647 58.960 58.200 0.187 0.000 1.048 442 S CB 0.160 63.430 63.200 0.117 0.000 0.844 442 S HN 1.977 nan 8.310 nan 0.000 0.512 443 D N 2.299 122.901 120.400 0.337 0.000 2.117 443 D HA 0.065 4.757 4.640 0.087 0.000 0.198 443 D C 2.120 178.499 176.300 0.132 0.000 0.982 443 D CA 1.436 55.654 54.000 0.364 0.000 0.828 443 D CB -0.906 40.161 40.800 0.445 0.000 0.967 443 D HN 0.984 nan 8.370 nan 0.000 0.464 444 A N -0.301 122.583 122.820 0.108 0.000 2.178 444 A HA 0.287 4.659 4.320 0.087 0.000 0.218 444 A C 2.247 179.851 177.584 0.032 0.000 1.157 444 A CA 2.374 54.440 52.037 0.048 0.000 0.689 444 A CB -0.605 18.421 19.000 0.044 0.000 0.787 444 A HN 0.674 nan 8.150 nan 0.000 0.465 445 E N -1.543 118.696 120.200 0.064 0.000 2.099 445 E HA -0.053 4.349 4.350 0.087 0.000 0.191 445 E C 1.880 178.515 176.600 0.058 0.000 0.962 445 E CA 0.836 57.274 56.400 0.064 0.000 0.826 445 E CB -0.875 28.875 29.700 0.082 0.000 0.788 445 E HN 0.720 nan 8.360 nan 0.000 0.461 446 Y N 1.835 122.045 120.300 -0.150 0.000 2.114 446 Y HA -0.093 4.510 4.550 0.087 0.000 0.284 446 Y C 2.871 178.648 175.900 -0.205 0.000 1.143 446 Y CA 3.391 61.299 58.100 -0.319 0.000 1.135 446 Y CB -0.696 37.226 38.460 -0.896 0.000 0.980 446 Y HN 0.303 nan 8.280 nan 0.000 0.499 447 K N 0.013 120.268 120.400 -0.242 0.000 2.001 447 K HA -0.249 4.123 4.320 0.087 0.000 0.214 447 K C 2.197 178.659 176.600 -0.231 0.000 1.050 447 K CA 2.786 58.917 56.287 -0.260 0.000 0.934 447 K CB -1.886 30.526 32.500 -0.146 0.000 0.718 447 K HN 0.614 nan 8.250 nan 0.000 0.443 448 Q N -0.376 119.341 119.800 -0.138 0.000 2.197 448 Q HA -0.080 4.313 4.340 0.087 0.000 0.207 448 Q C 2.105 178.042 176.000 -0.105 0.000 0.984 448 Q CA 2.082 57.814 55.803 -0.119 0.000 0.869 448 Q CB -1.002 27.707 28.738 -0.049 0.000 0.906 448 Q HN 0.806 nan 8.270 nan 0.000 0.426 449 F N 0.785 120.599 119.950 -0.228 0.000 2.084 449 F HA -0.104 4.475 4.527 0.087 0.000 0.296 449 F C 2.044 177.678 175.800 -0.277 0.000 1.111 449 F CA 1.684 59.550 58.000 -0.224 0.000 1.224 449 F CB -0.001 38.868 39.000 -0.217 0.000 0.991 449 F HN 0.241 nan 8.300 nan 0.000 0.471 450 I N 0.559 120.969 120.570 -0.266 0.000 2.286 450 I HA -0.270 3.952 4.170 0.087 0.000 0.248 450 I C 2.211 178.185 176.117 -0.238 0.000 1.115 450 I CA 1.348 62.463 61.300 -0.308 0.000 1.392 450 I CB -1.672 36.132 38.000 -0.326 0.000 1.065 450 I HN 0.398 nan 8.210 nan 0.000 0.418 451 Q N 0.616 120.264 119.800 -0.254 0.000 2.167 451 Q HA -0.076 4.316 4.340 0.087 0.000 0.202 451 Q C 2.458 178.427 176.000 -0.051 0.000 0.970 451 Q CA 1.543 57.207 55.803 -0.232 0.000 0.855 451 Q CB -0.092 28.272 28.738 -0.623 0.000 0.911 451 Q HN 0.543 nan 8.270 nan 0.000 0.438 452 A N 1.232 123.951 122.820 -0.168 0.000 1.902 452 A HA -0.230 4.143 4.320 0.087 0.000 0.217 452 A C 1.940 179.416 177.584 -0.180 0.000 1.181 452 A CA 1.715 53.664 52.037 -0.147 0.000 0.623 452 A CB -0.367 18.500 19.000 -0.221 0.000 0.818 452 A HN 0.270 nan 8.150 nan 0.000 0.443 453 E N 0.131 120.125 120.200 -0.343 0.000 2.150 453 E HA -0.078 4.325 4.350 0.087 0.000 0.193 453 E C 1.672 178.189 176.600 -0.139 0.000 0.985 453 E CA 1.071 57.223 56.400 -0.413 0.000 0.814 453 E CB -0.321 28.891 29.700 -0.814 0.000 0.752 453 E HN 0.652 nan 8.360 nan 0.000 0.466 454 I N 0.370 120.979 120.570 0.066 0.000 2.286 454 I HA -0.189 4.033 4.170 0.087 0.000 0.245 454 I C 2.512 178.811 176.117 0.303 0.000 1.104 454 I CA 1.340 62.862 61.300 0.370 0.000 1.397 454 I CB -0.307 37.957 38.000 0.440 0.000 1.072 454 I HN 0.260 nan 8.210 nan 0.000 0.417 455 E N 1.475 121.806 120.200 0.217 0.000 2.058 455 E HA -0.309 4.093 4.350 0.087 0.000 0.194 455 E C 2.357 178.993 176.600 0.060 0.000 0.997 455 E CA 1.405 57.869 56.400 0.107 0.000 0.801 455 E CB -0.061 29.697 29.700 0.096 0.000 0.746 455 E HN 0.250 nan 8.360 nan 0.000 0.450 456 R N -0.403 120.106 120.500 0.015 0.000 2.115 456 R HA -0.204 4.188 4.340 0.087 0.000 0.239 456 R C 2.018 178.254 176.300 -0.106 0.000 1.133 456 R CA 2.402 58.446 56.100 -0.093 0.000 0.935 456 R CB -0.515 29.679 30.300 -0.177 0.000 0.853 456 R HN 0.318 nan 8.270 nan 0.000 0.433 457 W N -0.215 121.066 121.300 -0.032 0.000 2.425 457 W HA -0.042 4.671 4.660 0.088 0.000 0.277 457 W C 2.414 178.945 176.519 0.020 0.000 1.231 457 W CA 1.384 58.710 57.345 -0.031 0.000 1.248 457 W CB -0.394 29.133 29.460 0.113 0.000 1.117 457 W HN 0.224 nan 8.180 nan 0.000 0.568 458 I N 0.105 120.826 120.570 0.252 0.000 2.226 458 I HA -0.243 3.979 4.170 0.087 0.000 0.245 458 I C 2.344 178.498 176.117 0.061 0.000 1.100 458 I CA 1.953 63.348 61.300 0.157 0.000 1.374 458 I CB -0.969 37.086 38.000 0.091 0.000 1.057 458 I HN -0.064 nan 8.210 nan 0.000 0.413 459 R N 0.614 121.115 120.500 0.002 0.000 2.075 459 R HA 0.026 4.418 4.340 0.087 0.000 0.232 459 R C 2.190 178.448 176.300 -0.070 0.000 1.126 459 R CA 1.460 57.535 56.100 -0.043 0.000 0.963 459 R CB -1.123 29.134 30.300 -0.072 0.000 0.858 459 R HN 0.731 nan 8.270 nan 0.000 0.435 460 I N 1.583 122.074 120.570 -0.131 0.000 2.091 460 I HA -0.373 3.849 4.170 0.087 0.000 0.239 460 I C 2.376 178.449 176.117 -0.074 0.000 1.061 460 I CA 1.714 62.900 61.300 -0.192 0.000 1.317 460 I CB -0.488 37.252 38.000 -0.433 0.000 1.031 460 I HN 0.238 nan 8.210 nan 0.000 0.401 461 Q N 0.300 120.112 119.800 0.020 0.000 2.181 461 Q HA -0.238 4.154 4.340 0.087 0.000 0.205 461 Q C 2.063 178.095 176.000 0.054 0.000 0.980 461 Q CA 1.450 57.308 55.803 0.092 0.000 0.862 461 Q CB -0.181 28.679 28.738 0.204 0.000 0.905 461 Q HN 0.567 nan 8.270 nan 0.000 0.429 462 E N 0.663 120.880 120.200 0.028 0.000 2.072 462 E HA -0.172 4.231 4.350 0.087 0.000 0.191 462 E C 1.534 178.131 176.600 -0.006 0.000 0.985 462 E CA 1.093 57.500 56.400 0.011 0.000 0.801 462 E CB 0.088 29.787 29.700 -0.001 0.000 0.750 462 E HN 0.354 nan 8.360 nan 0.000 0.452 463 D N 0.809 121.194 120.400 -0.025 0.000 2.117 463 D HA -0.127 4.565 4.640 0.087 0.000 0.198 463 D C 2.000 178.286 176.300 -0.024 0.000 0.982 463 D CA 0.823 54.803 54.000 -0.034 0.000 0.828 463 D CB -0.202 40.562 40.800 -0.059 0.000 0.967 463 D HN 0.170 nan 8.370 nan 0.000 0.464 464 L N 0.235 121.447 121.223 -0.018 0.000 2.450 464 L HA -0.120 4.272 4.340 0.087 0.000 0.224 464 L C 0.513 177.389 176.870 0.010 0.000 1.149 464 L CA 0.440 55.279 54.840 -0.002 0.000 0.816 464 L CB -0.462 41.606 42.059 0.015 0.000 0.932 464 L HN 0.012 nan 8.230 nan 0.000 0.449 465 D N -0.132 120.273 120.400 0.010 0.000 2.907 465 D HA -0.193 4.499 4.640 0.087 0.000 0.226 465 D C -0.062 176.250 176.300 0.021 0.000 1.141 465 D CA 0.426 54.432 54.000 0.010 0.000 0.779 465 D CB -1.212 39.587 40.800 -0.000 0.000 1.095 465 D HN 0.166 nan 8.370 nan 0.000 0.430 466 L N 0.780 122.029 121.223 0.044 0.000 2.477 466 L HA 0.160 4.552 4.340 0.087 0.000 0.272 466 L C 1.405 178.306 176.870 0.051 0.000 1.157 466 L CA 0.056 54.933 54.840 0.062 0.000 0.889 466 L CB 0.624 42.748 42.059 0.107 0.000 1.158 466 L HN 0.068 nan 8.230 nan 0.000 0.473 467 D N 1.469 121.887 120.400 0.029 0.000 2.347 467 D HA 0.029 4.721 4.640 0.087 0.000 0.213 467 D C 0.053 176.380 176.300 0.044 0.000 0.985 467 D CA 0.300 54.308 54.000 0.013 0.000 0.879 467 D CB 0.187 40.965 40.800 -0.036 0.000 0.919 467 D HN 0.138 nan 8.370 nan 0.000 0.526 468 V N 1.347 121.316 119.914 0.091 0.000 2.447 468 V HA 0.275 4.447 4.120 0.087 0.000 0.292 468 V C -0.728 175.436 176.094 0.116 0.000 1.021 468 V CA -0.868 61.512 62.300 0.133 0.000 0.850 468 V CB 1.594 33.579 31.823 0.269 0.000 1.005 468 V HN -0.044 nan 8.190 nan 0.000 0.426 469 L N 5.327 126.605 121.223 0.092 0.000 2.416 469 L HA 0.812 5.204 4.340 0.087 0.000 0.263 469 L C 0.054 176.954 176.870 0.050 0.000 1.065 469 L CA -0.304 54.598 54.840 0.104 0.000 0.798 469 L CB 1.825 43.957 42.059 0.122 0.000 1.267 469 L HN 0.590 nan 8.230 nan 0.000 0.467 470 V N -2.783 117.154 119.914 0.037 0.000 3.049 470 V HA 0.404 4.577 4.120 0.087 0.000 0.309 470 V C 0.739 176.816 176.094 -0.028 0.000 1.148 470 V CA -0.551 61.691 62.300 -0.097 0.000 0.990 470 V CB 1.630 33.233 31.823 -0.367 0.000 1.039 470 V HN 0.892 nan 8.190 nan 0.000 0.430 471 H N 0.910 119.948 119.070 -0.052 0.000 2.495 471 H HA 0.219 4.828 4.556 0.087 0.000 0.287 471 H C 1.315 176.636 175.328 -0.011 0.000 1.033 471 H CA 1.573 57.649 56.048 0.046 0.000 1.307 471 H CB 0.515 30.307 29.762 0.051 0.000 1.401 471 H HN 1.723 nan 8.280 nan 0.000 0.555 472 G N 0.965 109.275 108.800 -0.816 0.000 2.278 472 G HA2 -0.287 3.725 3.960 0.087 0.000 0.210 472 G HA3 -0.287 3.725 3.960 0.087 0.000 0.210 472 G C 0.311 174.396 174.900 -1.357 0.000 1.000 472 G CA 0.053 44.436 45.100 -1.193 0.000 0.635 472 G HN 0.429 nan 8.290 nan 0.000 0.495 473 E N -1.197 118.344 120.200 -1.098 0.000 2.971 473 E HA -0.271 4.131 4.350 0.087 0.000 0.278 473 E C 1.055 177.417 176.600 -0.396 0.000 1.009 473 E CA 0.723 56.770 56.400 -0.588 0.000 0.862 473 E CB -1.733 27.624 29.700 -0.571 0.000 1.436 473 E HN 0.611 nan 8.360 nan 0.000 0.434 474 F N 1.241 121.124 119.950 -0.113 0.000 2.307 474 F HA -0.184 4.395 4.527 0.088 0.000 0.301 474 F C 2.651 178.430 175.800 -0.035 0.000 1.076 474 F CA 1.624 59.586 58.000 -0.064 0.000 1.383 474 F CB -0.197 38.782 39.000 -0.036 0.000 1.055 474 F HN 0.182 nan 8.300 nan 0.000 0.526 475 E N 1.446 121.690 120.200 0.073 0.000 2.502 475 E HA -0.051 4.351 4.350 0.087 0.000 0.194 475 E C 0.033 176.552 176.600 -0.135 0.000 1.062 475 E CA 0.212 56.633 56.400 0.035 0.000 0.867 475 E CB -0.200 29.515 29.700 0.026 0.000 0.888 475 E HN 0.351 nan 8.360 nan 0.000 0.510 476 R N -0.063 120.271 120.500 -0.278 0.000 2.387 476 R HA 0.540 4.933 4.340 0.087 0.000 0.314 476 R C 0.879 177.131 176.300 -0.080 0.000 0.958 476 R CA 0.280 56.146 56.100 -0.390 0.000 0.846 476 R CB 1.880 31.816 30.300 -0.607 0.000 1.147 476 R HN 0.022 nan 8.270 nan 0.000 0.447 477 V N 0.626 120.567 119.914 0.045 0.000 3.263 477 V HA 0.092 4.265 4.120 0.087 0.000 0.248 477 V C 0.323 176.505 176.094 0.146 0.000 1.145 477 V CA 1.183 63.550 62.300 0.112 0.000 1.107 477 V CB 0.323 32.239 31.823 0.155 0.000 0.797 477 V HN 0.558 nan 8.190 nan 0.000 0.467 478 D N -0.426 120.084 120.400 0.183 0.000 2.863 478 D HA 0.388 5.080 4.640 0.087 0.000 0.245 478 D C 0.965 177.443 176.300 0.298 0.000 1.211 478 D CA -0.302 53.856 54.000 0.263 0.000 0.888 478 D CB 1.992 42.953 40.800 0.269 0.000 1.483 478 D HN 0.378 nan 8.370 nan 0.000 0.533 479 M N 1.716 121.497 119.600 0.302 0.000 2.549 479 M HA 0.014 4.547 4.480 0.087 0.000 0.260 479 M C -0.013 176.456 176.300 0.282 0.000 1.076 479 M CA 1.210 56.655 55.300 0.242 0.000 1.090 479 M CB 0.220 32.849 32.600 0.048 0.000 1.418 479 M HN 0.103 nan 8.290 nan 0.000 0.486 480 V N 0.214 120.309 119.914 0.302 0.000 2.911 480 V HA -0.010 4.162 4.120 0.087 0.000 0.237 480 V C 2.203 178.478 176.094 0.302 0.000 1.156 480 V CA 1.231 63.679 62.300 0.246 0.000 1.180 480 V CB 0.142 32.125 31.823 0.267 0.000 0.932 480 V HN 0.504 nan 8.190 nan 0.000 0.483 481 E N -0.035 120.343 120.200 0.297 0.000 2.204 481 E HA -0.229 4.173 4.350 0.087 0.000 0.194 481 E C 1.962 178.675 176.600 0.188 0.000 0.989 481 E CA 1.128 57.655 56.400 0.212 0.000 0.824 481 E CB -0.096 29.713 29.700 0.182 0.000 0.756 481 E HN 0.514 nan 8.360 nan 0.000 0.477 482 F N -0.078 119.927 119.950 0.092 0.000 2.216 482 F HA -0.137 4.442 4.527 0.087 0.000 0.300 482 F C 1.141 176.813 175.800 -0.214 0.000 1.085 482 F CA 1.345 59.310 58.000 -0.058 0.000 1.326 482 F CB -0.084 38.845 39.000 -0.119 0.000 1.027 482 F HN 0.037 nan 8.300 nan 0.000 0.497 483 F N -0.448 119.434 119.950 -0.114 0.000 2.220 483 F HA 0.169 4.748 4.527 0.088 0.000 0.290 483 F C 2.710 178.265 175.800 -0.409 0.000 1.080 483 F CA 0.907 58.741 58.000 -0.276 0.000 1.318 483 F CB -1.335 37.547 39.000 -0.196 0.000 1.063 483 F HN -0.100 nan 8.300 nan 0.000 0.498 484 G N -0.266 108.388 108.800 -0.243 0.000 2.485 484 G HA2 -0.297 3.715 3.960 0.087 0.000 0.221 484 G HA3 -0.297 3.715 3.960 0.087 0.000 0.221 484 G C 1.626 176.434 174.900 -0.154 0.000 1.115 484 G CA 1.291 46.107 45.100 -0.474 0.000 0.751 484 G HN 0.429 nan 8.290 nan 0.000 0.567 485 Q N 0.012 119.737 119.800 -0.125 0.000 2.230 485 Q HA 0.115 4.507 4.340 0.087 0.000 0.202 485 Q C 2.235 178.163 176.000 -0.121 0.000 0.963 485 Q CA 1.658 57.408 55.803 -0.089 0.000 0.866 485 Q CB -0.398 28.276 28.738 -0.108 0.000 0.931 485 Q HN 0.568 nan 8.270 nan 0.000 0.452 486 K N -1.039 119.240 120.400 -0.202 0.000 2.402 486 K HA 0.375 4.747 4.320 0.087 0.000 0.204 486 K C -0.320 176.182 176.600 -0.163 0.000 1.056 486 K CA -0.251 55.921 56.287 -0.192 0.000 1.069 486 K CB 0.698 33.033 32.500 -0.276 0.000 0.888 486 K HN 0.322 nan 8.250 nan 0.000 0.546 487 L N 1.714 122.849 121.223 -0.146 0.000 2.289 487 L HA 0.339 4.731 4.340 0.087 0.000 0.285 487 L C 0.280 177.211 176.870 0.101 0.000 1.049 487 L CA -0.757 54.047 54.840 -0.061 0.000 0.804 487 L CB 1.317 43.277 42.059 -0.166 0.000 1.195 487 L HN 0.034 nan 8.230 nan 0.000 0.428 488 A N 2.251 125.122 122.820 0.084 0.000 2.466 488 A HA 0.458 4.830 4.320 0.087 0.000 0.238 488 A C 1.223 178.856 177.584 0.082 0.000 1.074 488 A CA 0.676 52.762 52.037 0.081 0.000 0.774 488 A CB 0.097 19.129 19.000 0.053 0.000 1.015 488 A HN 1.137 nan 8.150 nan 0.000 0.498 489 G N -0.546 108.157 108.800 -0.162 0.000 2.199 489 G HA2 -0.217 3.796 3.960 0.087 0.000 0.254 489 G HA3 -0.217 3.796 3.960 0.087 0.000 0.254 489 G C -0.031 174.450 174.900 -0.698 0.000 0.982 489 G CA 0.474 45.224 45.100 -0.583 0.000 0.632 489 G HN 0.699 nan 8.290 nan 0.000 0.529 490 F N 0.581 120.397 119.950 -0.224 0.000 2.458 490 F HA 0.791 5.370 4.527 0.086 0.000 0.330 490 F C 0.617 176.540 175.800 0.205 0.000 1.082 490 F CA 0.088 58.093 58.000 0.009 0.000 0.995 490 F CB 2.444 41.468 39.000 0.039 0.000 1.170 490 F HN 0.071 nan 8.300 nan 0.000 0.478 491 T N 0.580 115.386 114.554 0.419 0.000 2.889 491 T HA 0.551 4.953 4.350 0.087 0.000 0.315 491 T C -0.752 174.060 174.700 0.186 0.000 1.291 491 T CA -0.602 61.665 62.100 0.278 0.000 1.028 491 T CB 1.114 70.092 68.868 0.182 0.000 1.235 491 T HN 0.755 nan 8.240 nan 0.000 0.491 492 T N 0.673 115.284 114.554 0.095 0.000 2.936 492 T HA 0.775 5.177 4.350 0.087 0.000 0.282 492 T C 0.405 175.099 174.700 -0.010 0.000 1.003 492 T CA -0.595 61.529 62.100 0.039 0.000 1.005 492 T CB 1.220 70.090 68.868 0.002 0.000 1.097 492 T HN 0.856 nan 8.240 nan 0.000 0.532 493 T N -1.451 113.070 114.554 -0.054 0.000 2.950 493 T HA 0.497 4.899 4.350 0.087 0.000 0.288 493 T C 0.739 175.335 174.700 -0.172 0.000 1.035 493 T CA -1.134 60.928 62.100 -0.062 0.000 1.028 493 T CB 1.825 70.700 68.868 0.011 0.000 1.109 493 T HN 0.616 nan 8.240 nan 0.000 0.514 494 K N -0.366 119.897 120.400 -0.228 0.000 2.186 494 K HA 0.189 4.561 4.320 0.087 0.000 0.202 494 K C -0.007 176.139 176.600 -0.757 0.000 1.052 494 K CA 0.935 56.870 56.287 -0.586 0.000 0.965 494 K CB 0.009 32.017 32.500 -0.818 0.000 0.746 494 K HN 0.579 nan 8.250 nan 0.000 0.457 495 F N -1.086 118.917 119.950 0.089 0.000 2.936 495 F HA 0.239 4.818 4.527 0.086 0.000 0.334 495 F C 0.910 176.794 175.800 0.139 0.000 1.170 495 F CA -0.803 57.320 58.000 0.206 0.000 1.104 495 F CB 0.700 39.836 39.000 0.226 0.000 1.216 495 F HN -0.160 nan 8.300 nan 0.000 0.518 496 G N 0.406 109.232 108.800 0.043 0.000 3.197 496 G HA2 0.102 4.114 3.960 0.087 0.000 0.257 496 G HA3 0.102 4.114 3.960 0.087 0.000 0.257 496 G C -0.509 174.288 174.900 -0.172 0.000 0.835 496 G CA -0.182 44.874 45.100 -0.073 0.000 2.001 496 G HN 0.189 nan 8.290 nan 0.000 0.625 497 W N 0.158 121.491 121.300 0.056 0.000 2.261 497 W HA 0.517 5.228 4.660 0.085 0.000 0.323 497 W C -0.109 176.407 176.519 -0.005 0.000 1.243 497 W CA -0.584 56.783 57.345 0.037 0.000 1.210 497 W CB 1.518 31.015 29.460 0.062 0.000 1.149 497 W HN -0.022 nan 8.180 nan 0.000 0.562 498 V N 2.765 122.834 119.914 0.258 0.000 2.686 498 V HA 0.175 4.347 4.120 0.087 0.000 0.306 498 V C -0.169 176.015 176.094 0.150 0.000 1.065 498 V CA -1.417 60.967 62.300 0.140 0.000 0.894 498 V CB 1.475 33.372 31.823 0.124 0.000 1.004 498 V HN 0.503 nan 8.190 nan 0.000 0.424 499 Q N 1.922 121.775 119.800 0.087 0.000 2.311 499 Q HA 0.155 4.547 4.340 0.087 0.000 0.272 499 Q C 0.826 176.962 176.000 0.226 0.000 1.012 499 Q CA 0.518 56.391 55.803 0.115 0.000 0.891 499 Q CB 1.159 29.920 28.738 0.038 0.000 1.201 499 Q HN 1.000 nan 8.270 nan 0.000 0.391 500 S N 3.591 119.391 115.700 0.166 0.000 2.545 500 S HA 0.130 4.653 4.470 0.087 0.000 0.232 500 S C -0.427 174.342 174.600 0.282 0.000 1.070 500 S CA -0.003 58.346 58.200 0.248 0.000 0.923 500 S CB 0.180 63.490 63.200 0.184 0.000 0.806 500 S HN 0.715 nan 8.310 nan 0.000 0.506 501 Y N -1.712 118.597 120.300 0.015 0.000 2.522 501 Y HA 0.585 5.188 4.550 0.088 0.000 0.326 501 Y C 0.467 176.288 175.900 -0.132 0.000 1.198 501 Y CA -1.124 56.902 58.100 -0.124 0.000 1.112 501 Y CB 0.360 38.727 38.460 -0.155 0.000 1.342 501 Y HN 0.553 nan 8.280 nan 0.000 0.460 502 G N 2.196 110.827 108.800 -0.281 0.000 2.634 502 G HA2 -0.365 3.648 3.960 0.087 0.000 0.309 502 G HA3 -0.365 3.648 3.960 0.087 0.000 0.309 502 G C 1.056 175.802 174.900 -0.257 0.000 1.265 502 G CA 1.790 46.298 45.100 -0.987 0.000 0.998 502 G HN 2.119 nan 8.290 nan 0.000 0.551 503 S N 0.821 116.437 115.700 -0.141 0.000 2.593 503 S HA 0.273 4.795 4.470 0.087 0.000 0.217 503 S C 0.992 175.550 174.600 -0.071 0.000 0.966 503 S CA 0.523 58.720 58.200 -0.005 0.000 0.914 503 S CB 0.107 63.316 63.200 0.016 0.000 0.776 503 S HN 0.660 nan 8.310 nan 0.000 0.523 504 R N 1.850 122.176 120.500 -0.291 0.000 2.441 504 R HA 0.752 5.145 4.340 0.087 0.000 0.284 504 R C -0.152 176.057 176.300 -0.151 0.000 1.070 504 R CA 0.202 56.098 56.100 -0.340 0.000 1.047 504 R CB 0.944 30.755 30.300 -0.816 0.000 1.016 504 R HN 0.415 nan 8.270 nan 0.000 0.477 505 A N 1.728 124.540 122.820 -0.014 0.000 2.515 505 A HA 0.676 5.048 4.320 0.087 0.000 0.296 505 A C -0.698 177.095 177.584 0.348 0.000 1.094 505 A CA -0.726 51.411 52.037 0.166 0.000 0.718 505 A CB 1.708 20.840 19.000 0.220 0.000 1.307 505 A HN 0.470 nan 8.150 nan 0.000 0.408 506 V N -1.412 118.697 119.914 0.325 0.000 2.914 506 V HA 0.822 4.994 4.120 0.087 0.000 0.314 506 V C -0.447 175.637 176.094 -0.017 0.000 1.084 506 V CA -0.873 61.545 62.300 0.196 0.000 0.963 506 V CB 1.794 33.602 31.823 -0.025 0.000 1.025 506 V HN 0.940 nan 8.190 nan 0.000 0.432 507 K N 3.214 123.346 120.400 -0.447 0.000 2.484 507 K HA 0.570 4.942 4.320 0.087 0.000 0.226 507 K C -2.763 173.632 176.600 -0.341 0.000 1.031 507 K CA -1.676 54.198 56.287 -0.688 0.000 1.026 507 K CB 1.014 32.598 32.500 -1.528 0.000 1.412 507 K HN 0.640 nan 8.250 nan 0.000 0.492 508 P HA 0.175 nan 4.420 nan 0.000 0.271 508 P C -2.583 174.701 177.300 -0.025 0.000 1.218 508 P CA -1.170 61.827 63.100 -0.172 0.000 0.780 508 P CB 0.362 31.757 31.700 -0.508 0.000 0.901 509 P HA 0.219 nan 4.420 nan 0.000 0.273 509 P C -0.458 176.973 177.300 0.217 0.000 1.250 509 P CA 0.150 63.361 63.100 0.185 0.000 0.793 509 P CB 0.468 32.367 31.700 0.331 0.000 1.011 510 I N 1.339 122.042 120.570 0.223 0.000 2.382 510 I HA 0.313 4.535 4.170 0.087 0.000 0.286 510 I C 0.133 176.323 176.117 0.121 0.000 1.002 510 I CA -0.607 60.817 61.300 0.206 0.000 1.135 510 I CB 1.114 39.200 38.000 0.143 0.000 1.288 510 I HN 0.109 nan 8.210 nan 0.000 0.448 511 I N 7.097 127.664 120.570 -0.005 0.000 2.243 511 I HA -0.005 4.218 4.170 0.087 0.000 0.297 511 I C 0.663 176.816 176.117 0.061 0.000 1.161 511 I CA -0.144 60.943 61.300 -0.355 0.000 1.298 511 I CB -0.269 37.458 38.000 -0.455 0.000 1.475 511 I HN 0.667 nan 8.210 nan 0.000 0.561 512 Y N 3.594 123.939 120.300 0.076 0.000 2.500 512 Y HA 0.594 5.196 4.550 0.087 0.000 0.270 512 Y C 0.849 176.767 175.900 0.029 0.000 1.134 512 Y CA -0.442 57.814 58.100 0.260 0.000 1.293 512 Y CB 0.034 38.604 38.460 0.184 0.000 1.063 512 Y HN 0.291 nan 8.280 nan 0.000 0.534 513 G N -0.358 108.093 108.800 -0.581 0.000 2.708 513 G HA2 0.291 4.303 3.960 0.087 0.000 0.289 513 G HA3 0.291 4.303 3.960 0.087 0.000 0.289 513 G C -1.754 173.025 174.900 -0.200 0.000 1.416 513 G CA -1.023 43.944 45.100 -0.220 0.000 0.829 513 G HN -0.018 nan 8.290 nan 0.000 0.480 514 D N -0.047 120.328 120.400 -0.041 0.000 2.525 514 D HA 0.151 4.843 4.640 0.087 0.000 0.235 514 D C 0.453 176.739 176.300 -0.024 0.000 1.137 514 D CA 0.497 54.483 54.000 -0.022 0.000 0.868 514 D CB 1.582 42.393 40.800 0.019 0.000 1.180 514 D HN 0.046 nan 8.370 nan 0.000 0.465 515 V N 3.131 123.061 119.914 0.028 0.000 2.432 515 V HA 0.231 4.404 4.120 0.087 0.000 0.275 515 V C 0.330 176.498 176.094 0.123 0.000 1.043 515 V CA -0.150 62.225 62.300 0.124 0.000 0.925 515 V CB 1.106 33.072 31.823 0.237 0.000 0.985 515 V HN 0.444 nan 8.190 nan 0.000 0.466 516 Q N 2.994 122.871 119.800 0.128 0.000 2.284 516 Q HA 0.282 4.674 4.340 0.087 0.000 0.269 516 Q C -1.186 174.882 176.000 0.113 0.000 1.026 516 Q CA -0.716 55.154 55.803 0.111 0.000 0.831 516 Q CB 1.675 30.461 28.738 0.080 0.000 1.322 516 Q HN 0.910 nan 8.270 nan 0.000 0.419 517 H N 5.730 124.821 119.070 0.035 0.000 2.819 517 H HA 0.202 4.810 4.556 0.087 0.000 0.303 517 H C -0.237 175.100 175.328 0.014 0.000 1.058 517 H CA 0.626 56.684 56.048 0.018 0.000 1.471 517 H CB 0.705 30.475 29.762 0.013 0.000 1.480 517 H HN 0.772 nan 8.280 nan 0.000 0.517 518 L N 3.737 124.788 121.223 -0.287 0.000 2.730 518 L HA 0.206 4.598 4.340 0.087 0.000 0.236 518 L C 0.373 177.134 176.870 -0.181 0.000 1.061 518 L CA 0.084 54.846 54.840 -0.130 0.000 0.898 518 L CB 0.435 42.446 42.059 -0.079 0.000 1.270 518 L HN 0.602 nan 8.230 nan 0.000 0.500 519 E N -0.467 119.491 120.200 -0.403 0.000 2.408 519 E HA 0.441 4.843 4.350 0.087 0.000 0.275 519 E C -2.833 173.613 176.600 -0.256 0.000 0.935 519 E CA -2.478 53.787 56.400 -0.225 0.000 0.775 519 E CB 1.392 31.005 29.700 -0.145 0.000 1.277 519 E HN -0.278 nan 8.360 nan 0.000 0.455 520 P HA 0.056 nan 4.420 nan 0.000 0.263 520 P C -0.150 177.118 177.300 -0.052 0.000 1.195 520 P CA 0.334 63.455 63.100 0.035 0.000 0.762 520 P CB 0.462 32.181 31.700 0.033 0.000 0.799 521 I N 1.895 122.447 120.570 -0.031 0.000 2.810 521 I HA -0.040 4.182 4.170 0.087 0.000 0.262 521 I C 1.645 177.669 176.117 -0.155 0.000 1.131 521 I CA 1.297 62.483 61.300 -0.190 0.000 1.453 521 I CB -0.111 37.752 38.000 -0.228 0.000 1.161 521 I HN 0.376 nan 8.210 nan 0.000 0.444 522 T N -3.358 111.188 114.554 -0.013 0.000 3.087 522 T HA 0.191 4.594 4.350 0.087 0.000 0.283 522 T C 1.412 176.118 174.700 0.009 0.000 0.956 522 T CA 0.029 62.160 62.100 0.052 0.000 0.894 522 T CB -0.016 68.916 68.868 0.107 0.000 1.160 522 T HN -0.064 nan 8.240 nan 0.000 0.532 523 V N 1.952 121.877 119.914 0.018 0.000 2.392 523 V HA -0.167 4.005 4.120 0.087 0.000 0.249 523 V C 2.715 178.808 176.094 -0.002 0.000 1.059 523 V CA 2.500 64.808 62.300 0.013 0.000 1.051 523 V CB -0.617 31.223 31.823 0.029 0.000 0.658 523 V HN 0.679 nan 8.190 nan 0.000 0.455 524 E N 0.307 120.506 120.200 -0.002 0.000 2.023 524 E HA -0.297 4.105 4.350 0.087 0.000 0.196 524 E C 2.140 178.736 176.600 -0.008 0.000 1.003 524 E CA 1.918 58.318 56.400 0.001 0.000 0.809 524 E CB -0.099 29.600 29.700 -0.002 0.000 0.755 524 E HN 0.655 nan 8.360 nan 0.000 0.449 525 E N -0.093 120.063 120.200 -0.074 0.000 2.058 525 E HA -0.168 4.234 4.350 0.087 0.000 0.194 525 E C 2.140 178.642 176.600 -0.163 0.000 0.997 525 E CA 2.102 58.413 56.400 -0.148 0.000 0.801 525 E CB -0.429 29.052 29.700 -0.365 0.000 0.746 525 E HN 0.308 nan 8.360 nan 0.000 0.450 526 T N 0.005 114.424 114.554 -0.225 0.000 2.788 526 T HA -0.105 4.297 4.350 0.087 0.000 0.268 526 T C 1.986 176.685 174.700 -0.003 0.000 1.044 526 T CA 1.156 63.188 62.100 -0.112 0.000 1.139 526 T CB -0.259 68.576 68.868 -0.055 0.000 0.867 526 T HN -0.027 nan 8.240 nan 0.000 0.454 527 V N 0.405 120.330 119.914 0.018 0.000 2.548 527 V HA -0.091 4.081 4.120 0.087 0.000 0.249 527 V C 2.001 178.137 176.094 0.070 0.000 1.055 527 V CA 1.113 63.436 62.300 0.039 0.000 1.065 527 V CB -0.697 31.151 31.823 0.041 0.000 0.681 527 V HN 0.475 nan 8.190 nan 0.000 0.462 528 Y N 1.866 122.154 120.300 -0.020 0.000 2.089 528 Y HA -0.243 4.359 4.550 0.087 0.000 0.282 528 Y C 2.442 178.352 175.900 0.016 0.000 1.139 528 Y CA 1.665 59.761 58.100 -0.006 0.000 1.123 528 Y CB -0.852 37.599 38.460 -0.015 0.000 0.980 528 Y HN 0.137 nan 8.280 nan 0.000 0.493 529 A N 0.093 122.861 122.820 -0.086 0.000 1.927 529 A HA -0.346 4.026 4.320 0.087 0.000 0.220 529 A C 2.182 179.688 177.584 -0.130 0.000 1.185 529 A CA 2.304 54.265 52.037 -0.126 0.000 0.639 529 A CB -1.062 17.998 19.000 0.099 0.000 0.820 529 A HN 0.607 nan 8.150 nan 0.000 0.451 530 Q N 0.680 120.443 119.800 -0.061 0.000 2.167 530 Q HA -0.120 4.272 4.340 0.087 0.000 0.202 530 Q C 2.117 178.075 176.000 -0.069 0.000 0.970 530 Q CA 2.189 57.968 55.803 -0.040 0.000 0.855 530 Q CB -0.551 28.182 28.738 -0.008 0.000 0.911 530 Q HN 0.769 nan 8.270 nan 0.000 0.438 531 S N -1.041 114.594 115.700 -0.109 0.000 2.453 531 S HA -0.053 4.469 4.470 0.087 0.000 0.231 531 S C 1.763 176.284 174.600 -0.132 0.000 1.005 531 S CA 0.789 58.930 58.200 -0.098 0.000 0.949 531 S CB -0.337 62.821 63.200 -0.070 0.000 0.774 531 S HN 0.445 nan 8.310 nan 0.000 0.510 532 L N 0.592 121.690 121.223 -0.208 0.000 2.095 532 L HA 0.147 4.539 4.340 0.087 0.000 0.204 532 L C 1.791 178.606 176.870 -0.092 0.000 1.080 532 L CA 0.975 55.706 54.840 -0.180 0.000 0.759 532 L CB -0.638 41.268 42.059 -0.254 0.000 0.914 532 L HN 0.345 nan 8.230 nan 0.000 0.439 533 T N -1.026 113.486 114.554 -0.069 0.000 2.949 533 T HA 0.215 4.617 4.350 0.087 0.000 0.287 533 T C -0.122 174.565 174.700 -0.022 0.000 1.034 533 T CA -0.552 61.529 62.100 -0.033 0.000 1.018 533 T CB 1.580 70.442 68.868 -0.010 0.000 1.135 533 T HN 0.256 nan 8.240 nan 0.000 0.532 534 D N 0.414 120.807 120.400 -0.011 0.000 2.395 534 D HA 0.163 4.855 4.640 0.087 0.000 0.213 534 D C 0.468 176.772 176.300 0.005 0.000 1.110 534 D CA -0.190 53.808 54.000 -0.005 0.000 0.835 534 D CB 0.058 40.854 40.800 -0.007 0.000 0.965 534 D HN 0.314 nan 8.370 nan 0.000 0.505 535 R N 0.802 121.308 120.500 0.010 0.000 2.500 535 R HA 0.472 4.864 4.340 0.087 0.000 0.277 535 R C -2.561 173.757 176.300 0.030 0.000 1.026 535 R CA -1.951 54.163 56.100 0.022 0.000 1.058 535 R CB 0.364 30.681 30.300 0.028 0.000 1.078 535 R HN -0.042 nan 8.270 nan 0.000 0.509 536 P HA -0.006 nan 4.420 nan 0.000 0.267 536 P C -0.742 176.584 177.300 0.044 0.000 1.209 536 P CA 0.066 63.192 63.100 0.044 0.000 0.763 536 P CB 0.579 32.319 31.700 0.066 0.000 0.816 537 V N 5.244 125.177 119.914 0.032 0.000 2.472 537 V HA 0.250 4.422 4.120 0.087 0.000 0.290 537 V C 0.603 176.706 176.094 0.016 0.000 1.037 537 V CA -0.524 61.797 62.300 0.035 0.000 0.908 537 V CB 1.393 33.243 31.823 0.045 0.000 0.985 537 V HN 0.425 nan 8.190 nan 0.000 0.454 538 K N 2.524 122.922 120.400 -0.002 0.000 2.118 538 K HA 0.572 4.944 4.320 0.087 0.000 0.267 538 K C 0.309 176.915 176.600 0.010 0.000 0.991 538 K CA -0.334 55.928 56.287 -0.042 0.000 0.916 538 K CB 1.649 34.080 32.500 -0.115 0.000 1.041 538 K HN 0.868 nan 8.250 nan 0.000 0.455 539 G N 1.624 110.427 108.800 0.005 0.000 2.377 539 G HA2 0.471 4.483 3.960 0.087 0.000 0.299 539 G HA3 0.471 4.483 3.960 0.087 0.000 0.299 539 G C -0.853 174.073 174.900 0.042 0.000 1.150 539 G CA -0.563 44.568 45.100 0.052 0.000 0.847 539 G HN 0.313 nan 8.290 nan 0.000 0.501 540 M N 1.304 120.963 119.600 0.098 0.000 2.243 540 M HA 0.563 5.095 4.480 0.087 0.000 0.324 540 M C -0.428 175.992 176.300 0.201 0.000 1.031 540 M CA -0.183 55.166 55.300 0.081 0.000 0.949 540 M CB 1.762 34.370 32.600 0.015 0.000 1.615 540 M HN 0.295 nan 8.290 nan 0.000 0.430 541 L N 1.074 122.374 121.223 0.129 0.000 2.327 541 L HA 0.751 5.143 4.340 0.087 0.000 0.258 541 L C -0.392 176.377 176.870 -0.170 0.000 1.024 541 L CA -0.968 53.933 54.840 0.101 0.000 0.825 541 L CB 2.609 44.691 42.059 0.038 0.000 1.386 541 L HN 0.474 nan 8.230 nan 0.000 0.417 542 T N 0.351 114.538 114.554 -0.612 0.000 2.795 542 T HA 0.462 4.864 4.350 0.087 0.000 0.282 542 T C 0.364 174.802 174.700 -0.436 0.000 0.980 542 T CA -0.472 61.306 62.100 -0.536 0.000 1.012 542 T CB 1.617 70.060 68.868 -0.708 0.000 0.936 542 T HN 0.736 nan 8.240 nan 0.000 0.457 543 G N 2.800 111.448 108.800 -0.254 0.000 2.651 543 G HA2 0.316 4.328 3.960 0.087 0.000 0.260 543 G HA3 0.316 4.328 3.960 0.087 0.000 0.260 543 G C -1.657 173.098 174.900 -0.241 0.000 1.216 543 G CA -1.292 43.703 45.100 -0.175 0.000 0.913 543 G HN 0.402 nan 8.290 nan 0.000 0.535 544 P HA -0.009 nan 4.420 nan 0.000 0.219 544 P C 1.914 178.944 177.300 -0.450 0.000 1.150 544 P CA 0.575 63.498 63.100 -0.296 0.000 0.814 544 P CB 0.173 31.688 31.700 -0.308 0.000 0.787 545 I N -1.013 119.257 120.570 -0.499 0.000 2.142 545 I HA -0.247 3.975 4.170 0.087 0.000 0.240 545 I C 2.059 178.062 176.117 -0.191 0.000 1.078 545 I CA 1.796 62.832 61.300 -0.439 0.000 1.343 545 I CB -1.394 36.453 38.000 -0.254 0.000 1.046 545 I HN -0.025 nan 8.210 nan 0.000 0.405 546 T N 1.236 115.650 114.554 -0.233 0.000 2.746 546 T HA -0.085 4.317 4.350 0.087 0.000 0.267 546 T C 1.969 176.499 174.700 -0.284 0.000 1.039 546 T CA 1.296 63.193 62.100 -0.339 0.000 1.142 546 T CB -0.283 68.265 68.868 -0.532 0.000 0.866 546 T HN 0.225 nan 8.240 nan 0.000 0.444 547 I N 1.835 122.276 120.570 -0.215 0.000 2.264 547 I HA -0.222 4.000 4.170 0.087 0.000 0.248 547 I C 2.903 179.100 176.117 0.133 0.000 1.111 547 I CA 1.630 62.900 61.300 -0.050 0.000 1.382 547 I CB -0.683 37.279 38.000 -0.062 0.000 1.060 547 I HN 0.448 nan 8.210 nan 0.000 0.418 548 T N -1.969 112.647 114.554 0.103 0.000 2.770 548 T HA -0.192 4.211 4.350 0.087 0.000 0.263 548 T C 1.737 176.585 174.700 0.247 0.000 1.039 548 T CA 1.401 63.630 62.100 0.216 0.000 1.142 548 T CB -0.725 68.319 68.868 0.293 0.000 0.868 548 T HN 0.380 nan 8.240 nan 0.000 0.435 549 N N -0.556 118.289 118.700 0.242 0.000 2.244 549 N HA -0.107 4.686 4.740 0.087 0.000 0.183 549 N C 1.140 176.866 175.510 0.360 0.000 1.016 549 N CA 0.992 54.219 53.050 0.296 0.000 0.866 549 N CB -0.109 38.565 38.487 0.313 0.000 0.980 549 N HN 0.475 nan 8.380 nan 0.000 0.430 550 W N 1.148 122.465 121.300 0.029 0.000 3.003 550 W HA 0.298 5.010 4.660 0.086 0.000 0.257 550 W C 0.717 177.190 176.519 -0.076 0.000 1.308 550 W CA -0.310 57.027 57.345 -0.014 0.000 1.529 550 W CB -0.302 29.172 29.460 0.025 0.000 1.115 550 W HN -0.157 nan 8.180 nan 0.000 0.659 551 S N -0.231 115.582 115.700 0.188 0.000 2.722 551 S HA 0.438 4.960 4.470 0.087 0.000 0.292 551 S C -0.923 173.654 174.600 -0.039 0.000 1.135 551 S CA -0.685 57.565 58.200 0.084 0.000 1.003 551 S CB 1.085 64.435 63.200 0.250 0.000 1.067 551 S HN -0.240 nan 8.310 nan 0.000 0.546 552 F N 3.043 123.061 119.950 0.113 0.000 2.434 552 F HA 0.214 4.792 4.527 0.086 0.000 0.358 552 F C 1.167 177.086 175.800 0.198 0.000 1.136 552 F CA -0.768 57.291 58.000 0.097 0.000 1.157 552 F CB 0.281 39.245 39.000 -0.060 0.000 1.167 552 F HN 0.448 nan 8.300 nan 0.000 0.539 553 E N 3.968 124.430 120.200 0.437 0.000 2.318 553 E HA 0.300 4.702 4.350 0.087 0.000 0.265 553 E C -0.227 176.695 176.600 0.538 0.000 1.069 553 E CA -0.851 55.777 56.400 0.380 0.000 0.893 553 E CB 0.801 30.680 29.700 0.298 0.000 1.076 553 E HN 0.488 nan 8.360 nan 0.000 0.414 554 R N 0.175 120.859 120.500 0.306 0.000 2.585 554 R HA 0.022 4.414 4.340 0.087 0.000 0.275 554 R C 0.877 177.183 176.300 0.010 0.000 1.018 554 R CA 1.076 57.178 56.100 0.004 0.000 1.072 554 R CB 0.171 30.386 30.300 -0.141 0.000 0.953 554 R HN 0.762 nan 8.270 nan 0.000 0.419 555 T N -2.983 111.472 114.554 -0.164 0.000 3.054 555 T HA -0.020 4.382 4.350 0.087 0.000 0.255 555 T C 0.831 175.477 174.700 -0.090 0.000 1.035 555 T CA -0.016 62.069 62.100 -0.025 0.000 0.941 555 T CB 0.134 69.064 68.868 0.104 0.000 1.026 555 T HN 0.690 nan 8.240 nan 0.000 0.533 556 D N 2.045 122.325 120.400 -0.200 0.000 2.349 556 D HA 0.080 4.772 4.640 0.087 0.000 0.215 556 D C 0.820 177.063 176.300 -0.095 0.000 1.016 556 D CA -0.172 53.742 54.000 -0.144 0.000 0.870 556 D CB 0.048 40.712 40.800 -0.227 0.000 0.917 556 D HN 0.697 nan 8.370 nan 0.000 0.524 557 I N -3.007 117.514 120.570 -0.083 0.000 2.730 557 I HA 0.548 4.771 4.170 0.087 0.000 0.298 557 I C -3.011 173.084 176.117 -0.037 0.000 1.089 557 I CA -2.722 58.546 61.300 -0.053 0.000 1.041 557 I CB 2.071 40.041 38.000 -0.050 0.000 1.235 557 I HN -0.422 nan 8.210 nan 0.000 0.423 558 P HA 0.173 nan 4.420 nan 0.000 0.269 558 P C 0.467 177.718 177.300 -0.081 0.000 1.215 558 P CA -0.401 62.667 63.100 -0.053 0.000 0.780 558 P CB 0.755 32.419 31.700 -0.059 0.000 0.898 559 R N 2.620 123.043 120.500 -0.128 0.000 2.112 559 R HA -0.250 4.142 4.340 0.087 0.000 0.242 559 R C 1.617 177.641 176.300 -0.461 0.000 1.137 559 R CA 2.514 58.440 56.100 -0.289 0.000 0.944 559 R CB -0.706 29.376 30.300 -0.362 0.000 0.857 559 R HN 0.672 nan 8.270 nan 0.000 0.435 560 D N -0.525 119.660 120.400 -0.359 0.000 2.144 560 D HA -0.268 4.425 4.640 0.087 0.000 0.199 560 D C 1.792 178.050 176.300 -0.070 0.000 0.984 560 D CA 1.372 55.210 54.000 -0.270 0.000 0.834 560 D CB -0.471 40.214 40.800 -0.193 0.000 0.955 560 D HN 0.511 nan 8.370 nan 0.000 0.465 561 Q N -0.089 119.679 119.800 -0.054 0.000 2.084 561 Q HA -0.168 4.224 4.340 0.087 0.000 0.202 561 Q C 2.502 178.541 176.000 0.066 0.000 0.978 561 Q CA 1.011 56.817 55.803 0.005 0.000 0.844 561 Q CB -0.118 28.613 28.738 -0.012 0.000 0.898 561 Q HN 0.292 nan 8.270 nan 0.000 0.426 562 L N 0.062 121.332 121.223 0.079 0.000 2.017 562 L HA -0.136 4.257 4.340 0.087 0.000 0.208 562 L C 1.945 178.995 176.870 0.300 0.000 1.073 562 L CA 1.688 56.626 54.840 0.162 0.000 0.745 562 L CB -0.831 41.333 42.059 0.174 0.000 0.894 562 L HN 0.216 nan 8.230 nan 0.000 0.432 563 F N 0.690 120.670 119.950 0.050 0.000 2.091 563 F HA -0.260 4.318 4.527 0.085 0.000 0.299 563 F C 2.443 178.278 175.800 0.058 0.000 1.103 563 F CA 1.526 59.556 58.000 0.050 0.000 1.228 563 F CB -1.419 37.599 39.000 0.030 0.000 0.984 563 F HN 0.297 nan 8.300 nan 0.000 0.477 564 N N 0.062 118.925 118.700 0.272 0.000 2.142 564 N HA -0.153 4.640 4.740 0.087 0.000 0.186 564 N C 1.847 177.435 175.510 0.130 0.000 1.023 564 N CA 1.008 54.172 53.050 0.190 0.000 0.852 564 N CB -0.622 37.965 38.487 0.166 0.000 0.998 564 N HN 0.433 nan 8.380 nan 0.000 0.424 565 Q N 0.319 120.194 119.800 0.125 0.000 2.061 565 Q HA -0.069 4.323 4.340 0.087 0.000 0.204 565 Q C 2.080 178.144 176.000 0.107 0.000 0.984 565 Q CA 1.062 56.927 55.803 0.103 0.000 0.846 565 Q CB -0.161 28.636 28.738 0.098 0.000 0.902 565 Q HN 0.438 nan 8.270 nan 0.000 0.421 566 I N 0.130 120.773 120.570 0.122 0.000 2.252 566 I HA -0.161 4.061 4.170 0.087 0.000 0.245 566 I C 2.408 178.543 176.117 0.030 0.000 1.102 566 I CA 0.962 62.321 61.300 0.098 0.000 1.385 566 I CB -0.783 37.274 38.000 0.095 0.000 1.064 566 I HN 0.267 nan 8.210 nan 0.000 0.414 567 G N 1.604 110.417 108.800 0.022 0.000 2.513 567 G HA2 -0.252 3.760 3.960 0.087 0.000 0.219 567 G HA3 -0.252 3.760 3.960 0.087 0.000 0.219 567 G C 1.725 176.608 174.900 -0.027 0.000 1.160 567 G CA 0.766 45.853 45.100 -0.021 0.000 0.767 567 G HN 0.272 nan 8.290 nan 0.000 0.571 568 L N 0.529 121.758 121.223 0.011 0.000 2.042 568 L HA -0.129 4.263 4.340 0.087 0.000 0.210 568 L C 3.450 180.313 176.870 -0.013 0.000 1.076 568 L CA 1.199 56.040 54.840 0.003 0.000 0.749 568 L CB -0.472 41.606 42.059 0.032 0.000 0.893 568 L HN 0.341 nan 8.230 nan 0.000 0.432 569 A N 0.243 123.079 122.820 0.027 0.000 1.902 569 A HA -0.172 4.200 4.320 0.087 0.000 0.217 569 A C 2.185 179.758 177.584 -0.018 0.000 1.181 569 A CA 1.458 53.531 52.037 0.061 0.000 0.623 569 A CB -0.659 18.422 19.000 0.135 0.000 0.818 569 A HN 0.363 nan 8.150 nan 0.000 0.443 570 I N -0.360 120.187 120.570 -0.039 0.000 2.264 570 I HA -0.286 3.936 4.170 0.087 0.000 0.248 570 I C 2.535 178.577 176.117 -0.124 0.000 1.111 570 I CA 1.862 63.113 61.300 -0.081 0.000 1.382 570 I CB -0.284 37.637 38.000 -0.131 0.000 1.060 570 I HN 0.427 nan 8.210 nan 0.000 0.418 571 K N 1.109 121.432 120.400 -0.128 0.000 2.026 571 K HA -0.231 4.142 4.320 0.087 0.000 0.208 571 K C 1.598 178.095 176.600 -0.171 0.000 1.048 571 K CA 2.025 58.230 56.287 -0.136 0.000 0.929 571 K CB -0.045 32.391 32.500 -0.106 0.000 0.713 571 K HN 0.224 nan 8.250 nan 0.000 0.439 572 D N 0.372 120.627 120.400 -0.241 0.000 2.178 572 D HA -0.150 4.542 4.640 0.087 0.000 0.202 572 D C 1.809 177.780 176.300 -0.548 0.000 0.974 572 D CA 1.066 54.834 54.000 -0.387 0.000 0.841 572 D CB -0.011 40.508 40.800 -0.469 0.000 0.953 572 D HN 0.392 nan 8.370 nan 0.000 0.478 573 E N 0.587 120.479 120.200 -0.514 0.000 2.158 573 E HA -0.023 4.379 4.350 0.087 0.000 0.191 573 E C 2.077 178.623 176.600 -0.091 0.000 0.982 573 E CA 0.447 56.711 56.400 -0.227 0.000 0.823 573 E CB -0.175 29.547 29.700 0.035 0.000 0.766 573 E HN 0.211 nan 8.360 nan 0.000 0.468 574 I N 0.319 120.828 120.570 -0.102 0.000 2.315 574 I HA -0.208 4.015 4.170 0.087 0.000 0.248 574 I C 2.220 178.298 176.117 -0.066 0.000 1.117 574 I CA 0.955 62.213 61.300 -0.070 0.000 1.404 574 I CB -0.232 37.713 38.000 -0.092 0.000 1.071 574 I HN 0.099 nan 8.210 nan 0.000 0.419 575 K N 1.358 121.704 120.400 -0.091 0.000 2.032 575 K HA -0.197 4.175 4.320 0.087 0.000 0.209 575 K C 1.897 178.469 176.600 -0.046 0.000 1.048 575 K CA 1.666 57.911 56.287 -0.070 0.000 0.927 575 K CB -0.413 32.037 32.500 -0.084 0.000 0.712 575 K HN 0.009 nan 8.250 nan 0.000 0.441 576 L N 0.740 121.934 121.223 -0.049 0.000 2.042 576 L HA -0.138 4.254 4.340 0.087 0.000 0.210 576 L C 2.216 179.086 176.870 0.000 0.000 1.076 576 L CA 1.578 56.411 54.840 -0.011 0.000 0.749 576 L CB -0.875 41.194 42.059 0.018 0.000 0.893 576 L HN 0.226 nan 8.230 nan 0.000 0.432 577 L N -1.096 120.126 121.223 -0.002 0.000 1.994 577 L HA -0.248 4.144 4.340 0.087 0.000 0.208 577 L C 2.557 179.427 176.870 -0.001 0.000 1.071 577 L CA 1.531 56.373 54.840 0.005 0.000 0.745 577 L CB -0.555 41.508 42.059 0.006 0.000 0.892 577 L HN 0.360 nan 8.230 nan 0.000 0.431 578 E N 0.195 120.389 120.200 -0.010 0.000 2.085 578 E HA -0.240 4.162 4.350 0.087 0.000 0.194 578 E C 1.947 178.545 176.600 -0.004 0.000 0.994 578 E CA 1.198 57.593 56.400 -0.009 0.000 0.801 578 E CB 0.100 29.790 29.700 -0.017 0.000 0.743 578 E HN 0.413 nan 8.360 nan 0.000 0.453 579 N N 0.262 118.959 118.700 -0.005 0.000 2.149 579 N HA -0.148 4.644 4.740 0.087 0.000 0.188 579 N C 1.362 176.875 175.510 0.005 0.000 1.019 579 N CA 1.334 54.384 53.050 -0.000 0.000 0.857 579 N CB -0.286 38.201 38.487 -0.000 0.000 0.997 579 N HN 0.192 nan 8.380 nan 0.000 0.426 580 A N -0.753 122.072 122.820 0.007 0.000 2.238 580 A HA 0.411 4.784 4.320 0.087 0.000 0.208 580 A C 1.510 179.101 177.584 0.011 0.000 1.177 580 A CA 1.014 53.058 52.037 0.012 0.000 0.804 580 A CB -0.191 18.818 19.000 0.015 0.000 0.823 580 A HN 0.358 nan 8.150 nan 0.000 0.482 581 G N -1.116 107.690 108.800 0.009 0.000 2.201 581 G HA2 -0.161 3.851 3.960 0.087 0.000 0.212 581 G HA3 -0.161 3.851 3.960 0.087 0.000 0.212 581 G C 0.022 174.927 174.900 0.009 0.000 0.994 581 G CA -0.080 45.026 45.100 0.009 0.000 0.644 581 G HN 0.277 nan 8.290 nan 0.000 0.508 582 I N 1.922 122.497 120.570 0.008 0.000 2.662 582 I HA 0.359 4.581 4.170 0.087 0.000 0.285 582 I C 1.630 177.750 176.117 0.005 0.000 1.161 582 I CA 0.907 62.212 61.300 0.007 0.000 1.415 582 I CB 0.523 38.527 38.000 0.007 0.000 1.385 582 I HN 0.317 nan 8.210 nan 0.000 0.552 583 A N 7.877 130.702 122.820 0.008 0.000 2.115 583 A HA 0.338 4.710 4.320 0.087 0.000 0.211 583 A C 0.836 178.424 177.584 0.007 0.000 1.169 583 A CA 0.397 52.442 52.037 0.014 0.000 0.787 583 A CB 0.230 19.246 19.000 0.027 0.000 0.858 583 A HN 0.617 nan 8.150 nan 0.000 0.474 584 I N 0.767 121.325 120.570 -0.020 0.000 2.436 584 I HA 0.465 4.687 4.170 0.087 0.000 0.289 584 I C -1.270 174.789 176.117 -0.096 0.000 1.010 584 I CA -0.497 60.755 61.300 -0.081 0.000 1.098 584 I CB 1.904 39.806 38.000 -0.163 0.000 1.266 584 I HN -0.006 nan 8.210 nan 0.000 0.434 585 I N 5.409 125.930 120.570 -0.083 0.000 2.499 585 I HA 0.323 4.545 4.170 0.087 0.000 0.288 585 I C -0.602 175.496 176.117 -0.032 0.000 1.048 585 I CA -0.528 60.742 61.300 -0.049 0.000 1.062 585 I CB 2.139 40.125 38.000 -0.023 0.000 1.238 585 I HN 0.605 nan 8.210 nan 0.000 0.426 586 Q N 6.063 125.845 119.800 -0.030 0.000 2.325 586 Q HA 0.516 4.908 4.340 0.087 0.000 0.262 586 Q C -1.705 174.317 176.000 0.037 0.000 0.968 586 Q CA -0.620 55.192 55.803 0.015 0.000 0.877 586 Q CB 2.021 30.737 28.738 -0.036 0.000 1.253 586 Q HN 0.553 nan 8.270 nan 0.000 0.448 587 V N 4.873 124.839 119.914 0.085 0.000 2.318 587 V HA 0.210 4.382 4.120 0.087 0.000 0.271 587 V C -0.486 175.669 176.094 0.102 0.000 1.030 587 V CA -0.702 61.644 62.300 0.077 0.000 0.844 587 V CB 1.152 33.041 31.823 0.110 0.000 1.015 587 V HN 0.796 nan 8.190 nan 0.000 0.460 588 D N 4.419 124.830 120.400 0.018 0.000 2.264 588 D HA 0.352 5.044 4.640 0.087 0.000 0.250 588 D C 0.113 176.375 176.300 -0.064 0.000 1.113 588 D CA -0.118 53.889 54.000 0.012 0.000 0.871 588 D CB 1.656 42.452 40.800 -0.008 0.000 1.167 588 D HN 0.452 nan 8.370 nan 0.000 0.447 589 E N 0.942 121.106 120.200 -0.060 0.000 2.675 589 E HA 0.324 4.727 4.350 0.087 0.000 0.236 589 E C -0.299 176.235 176.600 -0.109 0.000 1.059 589 E CA -0.478 55.856 56.400 -0.111 0.000 0.775 589 E CB 1.518 31.165 29.700 -0.088 0.000 1.356 589 E HN 0.448 nan 8.360 nan 0.000 0.403 590 A N 0.798 123.539 122.820 -0.132 0.000 2.308 590 A HA 0.342 4.714 4.320 0.087 0.000 0.217 590 A C 1.486 179.090 177.584 0.034 0.000 1.216 590 A CA 0.793 52.800 52.037 -0.051 0.000 0.864 590 A CB 0.368 19.370 19.000 0.003 0.000 0.902 590 A HN 0.360 nan 8.150 nan 0.000 0.499 591 A N -0.869 121.950 122.820 -0.003 0.000 2.431 591 A HA 0.395 4.768 4.320 0.087 0.000 0.239 591 A C 1.585 179.237 177.584 0.113 0.000 1.230 591 A CA 0.244 52.360 52.037 0.131 0.000 0.928 591 A CB -0.413 18.680 19.000 0.155 0.000 1.006 591 A HN 0.469 nan 8.150 nan 0.000 0.520 592 L N -0.047 121.211 121.223 0.059 0.000 2.043 592 L HA -0.259 4.134 4.340 0.087 0.000 0.212 592 L C 2.936 179.878 176.870 0.121 0.000 1.075 592 L CA 2.280 57.188 54.840 0.114 0.000 0.752 592 L CB -0.291 41.786 42.059 0.031 0.000 0.891 592 L HN 0.495 nan 8.230 nan 0.000 0.432 593 R N -0.021 120.497 120.500 0.030 0.000 2.070 593 R HA -0.130 4.262 4.340 0.087 0.000 0.233 593 R C 2.207 178.504 176.300 -0.004 0.000 1.137 593 R CA 2.006 58.099 56.100 -0.013 0.000 0.945 593 R CB -2.095 28.170 30.300 -0.059 0.000 0.845 593 R HN 0.619 nan 8.270 nan 0.000 0.430 594 E N 0.284 120.506 120.200 0.037 0.000 2.204 594 E HA 0.015 4.417 4.350 0.087 0.000 0.195 594 E C 2.295 178.899 176.600 0.006 0.000 0.990 594 E CA 1.165 57.585 56.400 0.033 0.000 0.821 594 E CB -0.981 28.782 29.700 0.105 0.000 0.750 594 E HN 0.772 nan 8.360 nan 0.000 0.477 595 G N -0.612 108.208 108.800 0.034 0.000 2.985 595 G HA2 0.330 4.343 3.960 0.087 0.000 0.209 595 G HA3 0.330 4.343 3.960 0.087 0.000 0.209 595 G C 0.567 175.168 174.900 -0.498 0.000 1.165 595 G CA -0.039 45.043 45.100 -0.031 0.000 0.776 595 G HN 0.409 nan 8.290 nan 0.000 0.541 596 L N 2.015 123.003 121.223 -0.393 0.000 2.462 596 L HA 0.344 4.736 4.340 0.087 0.000 0.272 596 L C -1.967 174.679 176.870 -0.372 0.000 1.166 596 L CA -1.916 52.623 54.840 -0.501 0.000 0.880 596 L CB 0.687 42.645 42.059 -0.170 0.000 1.142 596 L HN -0.123 nan 8.230 nan 0.000 0.473 597 P HA 0.034 nan 4.420 nan 0.000 0.266 597 P C 0.933 178.174 177.300 -0.099 0.000 1.195 597 P CA -0.095 62.895 63.100 -0.184 0.000 0.768 597 P CB 0.566 32.197 31.700 -0.117 0.000 0.838 598 L N 1.074 122.264 121.223 -0.054 0.000 1.990 598 L HA -0.163 4.230 4.340 0.087 0.000 0.213 598 L C 1.276 178.138 176.870 -0.013 0.000 1.072 598 L CA 1.453 56.282 54.840 -0.017 0.000 0.755 598 L CB -0.469 41.607 42.059 0.029 0.000 0.889 598 L HN 0.385 nan 8.230 nan 0.000 0.432 599 R N 0.663 121.162 120.500 -0.002 0.000 2.401 599 R HA -0.028 4.365 4.340 0.087 0.000 0.299 599 R C 1.214 177.510 176.300 -0.006 0.000 1.064 599 R CA 0.079 56.180 56.100 0.001 0.000 1.000 599 R CB 0.749 31.057 30.300 0.013 0.000 0.973 599 R HN -0.045 nan 8.270 nan 0.000 0.438 600 K N 2.044 122.438 120.400 -0.010 0.000 2.160 600 K HA -0.155 4.217 4.320 0.087 0.000 0.206 600 K C 1.783 178.385 176.600 0.003 0.000 1.047 600 K CA 1.964 58.246 56.287 -0.008 0.000 0.930 600 K CB -0.331 32.161 32.500 -0.015 0.000 0.720 600 K HN 0.782 nan 8.250 nan 0.000 0.450 601 S N -0.588 115.115 115.700 0.005 0.000 2.547 601 S HA 0.024 4.546 4.470 0.087 0.000 0.235 601 S C 1.501 176.113 174.600 0.020 0.000 0.980 601 S CA 0.991 59.198 58.200 0.011 0.000 0.941 601 S CB -0.197 63.009 63.200 0.010 0.000 0.763 601 S HN 0.649 nan 8.310 nan 0.000 0.532 602 K N -0.053 120.361 120.400 0.023 0.000 2.402 602 K HA 0.244 4.616 4.320 0.087 0.000 0.203 602 K C 1.776 178.413 176.600 0.062 0.000 1.077 602 K CA -0.053 56.257 56.287 0.037 0.000 1.051 602 K CB 0.174 32.693 32.500 0.032 0.000 0.907 602 K HN 0.353 nan 8.250 nan 0.000 0.554 603 Q N 1.249 121.081 119.800 0.053 0.000 2.119 603 Q HA -0.150 4.242 4.340 0.087 0.000 0.201 603 Q C 2.448 178.534 176.000 0.144 0.000 0.972 603 Q CA 2.002 57.860 55.803 0.093 0.000 0.847 603 Q CB -0.217 28.549 28.738 0.048 0.000 0.903 603 Q HN 0.298 nan 8.270 nan 0.000 0.433 604 K N 0.866 121.317 120.400 0.084 0.000 2.057 604 K HA -0.018 4.354 4.320 0.087 0.000 0.207 604 K C 2.054 178.696 176.600 0.069 0.000 1.049 604 K CA 1.416 57.742 56.287 0.066 0.000 0.931 604 K CB -1.143 31.379 32.500 0.038 0.000 0.714 604 K HN 0.336 nan 8.250 nan 0.000 0.440 605 A N -0.371 122.493 122.820 0.073 0.000 1.930 605 A HA -0.015 4.357 4.320 0.087 0.000 0.217 605 A C 2.277 179.905 177.584 0.074 0.000 1.175 605 A CA 1.784 53.852 52.037 0.052 0.000 0.627 605 A CB -0.640 18.385 19.000 0.041 0.000 0.815 605 A HN 0.744 nan 8.150 nan 0.000 0.443 606 Y N 0.377 120.680 120.300 0.004 0.000 2.114 606 Y HA -0.187 4.419 4.550 0.092 0.000 0.284 606 Y C 2.384 178.330 175.900 0.077 0.000 1.143 606 Y CA 2.101 60.218 58.100 0.029 0.000 1.135 606 Y CB -0.489 38.000 38.460 0.047 0.000 0.980 606 Y HN 0.093 nan 8.280 nan 0.000 0.499 607 L N 0.323 121.578 121.223 0.053 0.000 2.131 607 L HA -0.207 4.185 4.340 0.087 0.000 0.210 607 L C 2.133 178.960 176.870 -0.072 0.000 1.092 607 L CA 1.923 56.733 54.840 -0.050 0.000 0.759 607 L CB -1.314 40.773 42.059 0.047 0.000 0.903 607 L HN 0.454 nan 8.230 nan 0.000 0.435 608 D N -1.027 119.354 120.400 -0.031 0.000 2.117 608 D HA -0.145 4.547 4.640 0.087 0.000 0.198 608 D C 1.923 178.214 176.300 -0.016 0.000 0.982 608 D CA 1.341 55.326 54.000 -0.024 0.000 0.828 608 D CB -0.338 40.456 40.800 -0.010 0.000 0.967 608 D HN 0.388 nan 8.370 nan 0.000 0.464 609 D N 0.673 121.051 120.400 -0.038 0.000 2.123 609 D HA -0.114 4.578 4.640 0.087 0.000 0.196 609 D C 1.996 178.414 176.300 0.196 0.000 0.992 609 D CA 1.308 55.312 54.000 0.007 0.000 0.833 609 D CB -0.310 40.377 40.800 -0.188 0.000 0.954 609 D HN 0.151 nan 8.370 nan 0.000 0.455 610 A N 0.448 123.308 122.820 0.066 0.000 1.898 610 A HA -0.122 4.250 4.320 0.087 0.000 0.216 610 A C 2.514 180.093 177.584 -0.010 0.000 1.181 610 A CA 1.218 53.257 52.037 0.004 0.000 0.620 610 A CB -0.692 18.166 19.000 -0.237 0.000 0.819 610 A HN 0.155 nan 8.150 nan 0.000 0.442 611 V N -0.616 119.257 119.914 -0.068 0.000 2.427 611 V HA -0.246 3.926 4.120 0.087 0.000 0.248 611 V C 2.422 178.338 176.094 -0.296 0.000 1.051 611 V CA 2.390 64.581 62.300 -0.182 0.000 1.048 611 V CB -0.988 30.698 31.823 -0.227 0.000 0.666 611 V HN 0.851 nan 8.190 nan 0.000 0.456 612 H N 0.666 119.613 119.070 -0.205 0.000 2.326 612 H HA -0.096 4.512 4.556 0.087 0.000 0.301 612 H C 2.188 177.523 175.328 0.012 0.000 1.081 612 H CA 1.910 57.883 56.048 -0.125 0.000 1.334 612 H CB -0.147 29.597 29.762 -0.030 0.000 1.385 612 H HN 0.347 nan 8.280 nan 0.000 0.504 613 A N -0.020 122.926 122.820 0.211 0.000 1.933 613 A HA -0.170 4.202 4.320 0.087 0.000 0.218 613 A C 2.296 179.918 177.584 0.064 0.000 1.175 613 A CA 1.458 53.591 52.037 0.160 0.000 0.628 613 A CB -1.196 17.911 19.000 0.177 0.000 0.814 613 A HN 0.607 nan 8.150 nan 0.000 0.444 614 F N 0.219 120.136 119.950 -0.055 0.000 2.171 614 F HA -0.173 4.407 4.527 0.088 0.000 0.300 614 F C 2.315 178.158 175.800 0.072 0.000 1.090 614 F CA 2.092 60.079 58.000 -0.023 0.000 1.293 614 F CB -0.342 38.645 39.000 -0.022 0.000 1.013 614 F HN 0.442 nan 8.300 nan 0.000 0.486 615 H N -0.544 118.548 119.070 0.037 0.000 2.389 615 H HA -0.118 4.491 4.556 0.088 0.000 0.299 615 H C 2.382 177.599 175.328 -0.185 0.000 1.081 615 H CA 1.371 57.369 56.048 -0.083 0.000 1.345 615 H CB -0.075 29.616 29.762 -0.118 0.000 1.393 615 H HN 0.275 nan 8.280 nan 0.000 0.520 616 I N 0.762 121.290 120.570 -0.071 0.000 2.286 616 I HA -0.249 3.974 4.170 0.087 0.000 0.248 616 I C 2.762 178.810 176.117 -0.115 0.000 1.115 616 I CA 0.863 62.108 61.300 -0.091 0.000 1.392 616 I CB -0.267 37.712 38.000 -0.035 0.000 1.065 616 I HN 0.278 nan 8.210 nan 0.000 0.418 617 A N 0.368 123.080 122.820 -0.179 0.000 1.929 617 A HA -0.156 4.217 4.320 0.087 0.000 0.216 617 A C 2.183 179.597 177.584 -0.283 0.000 1.176 617 A CA 2.116 54.004 52.037 -0.249 0.000 0.628 617 A CB -0.658 18.130 19.000 -0.353 0.000 0.816 617 A HN 0.503 nan 8.150 nan 0.000 0.444 618 T N -5.105 109.247 114.554 -0.337 0.000 3.084 618 T HA 0.247 4.649 4.350 0.087 0.000 0.270 618 T C 0.946 175.542 174.700 -0.173 0.000 1.008 618 T CA 0.690 62.611 62.100 -0.297 0.000 0.900 618 T CB 0.264 68.858 68.868 -0.457 0.000 1.084 618 T HN 0.100 nan 8.240 nan 0.000 0.538 619 S N 1.036 116.649 115.700 -0.145 0.000 2.556 619 S HA 0.226 4.748 4.470 0.087 0.000 0.216 619 S C 1.396 175.942 174.600 -0.090 0.000 0.970 619 S CA -0.278 57.850 58.200 -0.119 0.000 0.912 619 S CB 0.070 63.194 63.200 -0.127 0.000 0.790 619 S HN 0.461 nan 8.310 nan 0.000 0.504 620 S N 1.599 117.247 115.700 -0.086 0.000 2.568 620 S HA 0.200 4.723 4.470 0.087 0.000 0.232 620 S C 0.600 175.165 174.600 -0.058 0.000 0.975 620 S CA -0.405 57.755 58.200 -0.066 0.000 0.949 620 S CB 0.200 63.361 63.200 -0.065 0.000 0.829 620 S HN 0.460 nan 8.310 nan 0.000 0.479 621 V N 0.083 119.960 119.914 -0.061 0.000 2.953 621 V HA 0.475 4.647 4.120 0.087 0.000 0.304 621 V C 0.054 176.128 176.094 -0.034 0.000 1.073 621 V CA -1.239 61.033 62.300 -0.046 0.000 1.064 621 V CB 0.497 32.293 31.823 -0.045 0.000 1.047 621 V HN 0.079 nan 8.190 nan 0.000 0.478 622 K N 1.623 122.009 120.400 -0.023 0.000 2.336 622 K HA 0.111 4.483 4.320 0.087 0.000 0.262 622 K C 0.621 177.214 176.600 -0.012 0.000 0.992 622 K CA -0.012 56.265 56.287 -0.016 0.000 0.927 622 K CB 0.258 32.752 32.500 -0.009 0.000 0.956 622 K HN 0.721 nan 8.250 nan 0.000 0.495 623 D N 1.872 122.266 120.400 -0.011 0.000 2.218 623 D HA -0.175 4.518 4.640 0.087 0.000 0.204 623 D C 1.623 177.925 176.300 0.003 0.000 0.976 623 D CA 1.332 55.327 54.000 -0.008 0.000 0.853 623 D CB 0.168 40.963 40.800 -0.010 0.000 0.939 623 D HN 0.680 nan 8.370 nan 0.000 0.481 624 E N 0.160 120.365 120.200 0.007 0.000 2.285 624 E HA -0.054 4.349 4.350 0.087 0.000 0.194 624 E C 0.146 176.762 176.600 0.026 0.000 0.997 624 E CA 0.483 56.893 56.400 0.018 0.000 0.845 624 E CB -0.104 29.607 29.700 0.018 0.000 0.782 624 E HN -0.099 nan 8.360 nan 0.000 0.491 625 T N 1.690 116.255 114.554 0.018 0.000 2.851 625 T HA 0.060 4.462 4.350 0.087 0.000 0.298 625 T C -0.469 174.253 174.700 0.037 0.000 0.977 625 T CA -0.196 61.917 62.100 0.021 0.000 1.126 625 T CB 1.338 70.208 68.868 0.004 0.000 0.916 625 T HN 0.157 nan 8.240 nan 0.000 0.529 626 Q N 3.418 123.254 119.800 0.060 0.000 2.331 626 Q HA 0.328 4.720 4.340 0.087 0.000 0.257 626 Q C -0.802 175.289 176.000 0.151 0.000 0.957 626 Q CA -0.660 55.213 55.803 0.117 0.000 0.923 626 Q CB 0.413 29.261 28.738 0.183 0.000 1.212 626 Q HN 0.485 nan 8.270 nan 0.000 0.443 627 I N 5.108 125.766 120.570 0.148 0.000 2.304 627 I HA 0.233 4.455 4.170 0.087 0.000 0.291 627 I C 0.049 176.293 176.117 0.211 0.000 1.018 627 I CA -0.107 61.281 61.300 0.146 0.000 1.260 627 I CB 0.565 38.615 38.000 0.084 0.000 1.390 627 I HN 0.653 nan 8.210 nan 0.000 0.475 628 H N 3.521 122.570 119.070 -0.036 0.000 2.529 628 H HA 0.410 5.018 4.556 0.087 0.000 0.348 628 H C -0.277 175.068 175.328 0.028 0.000 1.152 628 H CA -0.507 55.497 56.048 -0.073 0.000 1.202 628 H CB 2.779 32.431 29.762 -0.184 0.000 1.562 628 H HN 0.414 nan 8.280 nan 0.000 0.515 629 T N 1.399 116.022 114.554 0.115 0.000 2.881 629 T HA 0.133 4.536 4.350 0.087 0.000 0.290 629 T C -1.289 173.472 174.700 0.101 0.000 1.000 629 T CA -0.691 61.484 62.100 0.125 0.000 0.978 629 T CB 0.745 69.654 68.868 0.069 0.000 0.997 629 T HN 0.563 nan 8.240 nan 0.000 0.443 630 H N 4.513 123.584 119.070 0.002 0.000 2.467 630 H HA 0.649 5.258 4.556 0.088 0.000 0.326 630 H C -0.546 174.788 175.328 0.009 0.000 1.094 630 H CA -0.670 55.374 56.048 -0.006 0.000 1.253 630 H CB 0.717 30.468 29.762 -0.019 0.000 1.439 630 H HN 0.507 nan 8.280 nan 0.000 0.479 631 M N 5.305 124.686 119.600 -0.365 0.000 2.031 631 M HA 0.186 4.718 4.480 0.087 0.000 0.273 631 M C -0.877 175.264 176.300 -0.265 0.000 0.904 631 M CA -0.601 54.558 55.300 -0.235 0.000 0.963 631 M CB 1.258 33.856 32.600 -0.003 0.000 1.707 631 M HN 0.579 nan 8.290 nan 0.000 0.427 632 c N 3.872 122.273 118.600 -0.332 0.000 2.896 632 c HA 0.496 5.118 4.570 0.087 0.000 0.499 632 c C 0.885 174.930 174.090 -0.074 0.000 1.022 632 c CA -0.141 56.099 56.329 -0.148 0.000 1.127 632 c CB -2.346 40.138 42.510 -0.044 0.000 1.452 632 c HN 0.734 nan 8.230 nan 0.000 0.580 633 Y N 0.359 120.596 120.300 -0.105 0.000 2.968 633 Y HA 0.760 5.362 4.550 0.087 0.000 0.316 633 Y C 0.941 176.650 175.900 -0.319 0.000 1.359 633 Y CA -0.108 57.806 58.100 -0.310 0.000 1.107 633 Y CB 0.418 38.512 38.460 -0.610 0.000 1.374 633 Y HN 0.455 nan 8.280 nan 0.000 0.621 634 S N -1.633 113.765 115.700 -0.503 0.000 3.984 634 S HA 0.337 4.859 4.470 0.087 0.000 0.221 634 S C 0.900 175.377 174.600 -0.205 0.000 1.149 634 S CA 0.754 58.833 58.200 -0.202 0.000 0.950 634 S CB -0.663 62.488 63.200 -0.081 0.000 1.216 634 S HN 1.691 nan 8.310 nan 0.000 0.547 635 K N 1.474 121.723 120.400 -0.251 0.000 2.278 635 K HA 0.557 4.929 4.320 0.087 0.000 0.237 635 K C 0.182 176.683 176.600 -0.166 0.000 1.229 635 K CA -0.496 55.718 56.287 -0.121 0.000 1.155 635 K CB -1.906 30.539 32.500 -0.091 0.000 1.590 635 K HN 0.475 nan 8.250 nan 0.000 0.290 636 F N 0.786 120.716 119.950 -0.033 0.000 2.293 636 F HA -0.076 4.505 4.527 0.091 0.000 0.300 636 F C 2.794 178.513 175.800 -0.136 0.000 1.086 636 F CA 1.653 59.600 58.000 -0.088 0.000 1.375 636 F CB -0.260 38.684 39.000 -0.094 0.000 1.045 636 F HN 0.600 nan 8.300 nan 0.000 0.516 637 D N 0.101 120.540 120.400 0.065 0.000 2.228 637 D HA -0.217 4.475 4.640 0.087 0.000 0.203 637 D C 1.980 178.267 176.300 -0.022 0.000 0.988 637 D CA 1.435 55.434 54.000 -0.003 0.000 0.864 637 D CB -0.777 40.029 40.800 0.010 0.000 0.928 637 D HN 0.328 nan 8.370 nan 0.000 0.469 638 E N 0.197 120.382 120.200 -0.026 0.000 2.015 638 E HA -0.084 4.318 4.350 0.087 0.000 0.191 638 E C 2.052 178.636 176.600 -0.026 0.000 0.991 638 E CA 1.288 57.670 56.400 -0.030 0.000 0.802 638 E CB -0.521 29.153 29.700 -0.044 0.000 0.759 638 E HN 0.985 nan 8.360 nan 0.000 0.447 639 I N -1.897 118.653 120.570 -0.033 0.000 3.855 639 I HA 0.397 4.619 4.170 0.087 0.000 0.327 639 I C 2.551 178.649 176.117 -0.032 0.000 1.359 639 I CA 0.577 61.864 61.300 -0.022 0.000 1.142 639 I CB -0.470 37.516 38.000 -0.024 0.000 1.041 639 I HN 0.298 nan 8.210 nan 0.000 0.403 640 I N 1.424 121.959 120.570 -0.059 0.000 2.118 640 I HA -0.347 3.875 4.170 0.087 0.000 0.241 640 I C 2.152 178.229 176.117 -0.066 0.000 1.070 640 I CA 2.800 64.025 61.300 -0.125 0.000 1.327 640 I CB -1.232 36.671 38.000 -0.161 0.000 1.034 640 I HN 0.317 nan 8.210 nan 0.000 0.405 641 D N 0.762 121.144 120.400 -0.031 0.000 2.123 641 D HA -0.034 4.659 4.640 0.087 0.000 0.196 641 D C 2.400 178.704 176.300 0.006 0.000 0.992 641 D CA 1.946 55.944 54.000 -0.003 0.000 0.833 641 D CB -0.443 40.357 40.800 -0.000 0.000 0.954 641 D HN 0.683 nan 8.370 nan 0.000 0.455 642 A N 0.527 123.343 122.820 -0.007 0.000 1.877 642 A HA -0.164 4.208 4.320 0.087 0.000 0.216 642 A C 2.308 179.880 177.584 -0.021 0.000 1.186 642 A CA 1.049 53.075 52.037 -0.018 0.000 0.620 642 A CB -0.834 18.150 19.000 -0.027 0.000 0.822 642 A HN 0.199 nan 8.150 nan 0.000 0.443 643 I N -0.884 119.677 120.570 -0.016 0.000 2.151 643 I HA -0.285 3.937 4.170 0.087 0.000 0.243 643 I C 2.881 179.063 176.117 0.109 0.000 1.080 643 I CA 1.761 63.063 61.300 0.004 0.000 1.339 643 I CB -0.340 37.653 38.000 -0.011 0.000 1.039 643 I HN 0.371 nan 8.210 nan 0.000 0.409 644 R N 0.757 121.357 120.500 0.167 0.000 2.193 644 R HA -0.043 4.349 4.340 0.087 0.000 0.229 644 R C 2.123 178.482 176.300 0.099 0.000 1.110 644 R CA 1.181 57.409 56.100 0.213 0.000 0.988 644 R CB -0.975 29.417 30.300 0.153 0.000 0.871 644 R HN 0.563 nan 8.270 nan 0.000 0.458 645 A N 0.461 123.331 122.820 0.082 0.000 1.968 645 A HA 0.150 4.522 4.320 0.087 0.000 0.217 645 A C 2.277 180.003 177.584 0.237 0.000 1.169 645 A CA 1.202 53.308 52.037 0.115 0.000 0.638 645 A CB -0.351 18.686 19.000 0.063 0.000 0.812 645 A HN 0.489 nan 8.150 nan 0.000 0.446 646 L N -1.038 120.261 121.223 0.127 0.000 2.187 646 L HA -0.193 4.199 4.340 0.087 0.000 0.213 646 L C 0.979 177.993 176.870 0.239 0.000 1.100 646 L CA 1.225 56.147 54.840 0.137 0.000 0.765 646 L CB -0.639 41.218 42.059 -0.338 0.000 0.904 646 L HN 0.481 nan 8.230 nan 0.000 0.437 647 D N -0.493 119.982 120.400 0.126 0.000 2.800 647 D HA -0.163 4.529 4.640 0.087 0.000 0.232 647 D C 0.307 176.651 176.300 0.073 0.000 1.137 647 D CA 0.683 54.714 54.000 0.052 0.000 0.718 647 D CB -0.496 40.291 40.800 -0.022 0.000 1.084 647 D HN 0.382 nan 8.370 nan 0.000 0.432 648 A N 0.221 123.100 122.820 0.099 0.000 2.440 648 A HA 0.252 4.624 4.320 0.087 0.000 0.251 648 A C 1.388 178.974 177.584 0.003 0.000 1.089 648 A CA 0.282 52.375 52.037 0.093 0.000 0.779 648 A CB 0.499 19.541 19.000 0.070 0.000 1.022 648 A HN 0.231 nan 8.150 nan 0.000 0.492 649 D N 0.585 120.966 120.400 -0.031 0.000 2.117 649 D HA -0.041 4.651 4.640 0.087 0.000 0.197 649 D C 0.262 176.438 176.300 -0.207 0.000 0.987 649 D CA 1.688 55.636 54.000 -0.088 0.000 0.829 649 D CB -0.006 40.767 40.800 -0.045 0.000 0.961 649 D HN 0.251 nan 8.370 nan 0.000 0.460 650 V N 1.022 120.695 119.914 -0.401 0.000 2.686 650 V HA 0.382 4.554 4.120 0.087 0.000 0.306 650 V C -0.455 175.393 176.094 -0.409 0.000 1.065 650 V CA -0.856 61.077 62.300 -0.612 0.000 0.894 650 V CB 3.017 33.949 31.823 -1.486 0.000 1.004 650 V HN -0.039 nan 8.190 nan 0.000 0.424 651 I N 4.210 124.625 120.570 -0.258 0.000 2.436 651 I HA 0.657 4.880 4.170 0.087 0.000 0.289 651 I C 0.088 176.086 176.117 -0.198 0.000 1.010 651 I CA -0.079 61.122 61.300 -0.165 0.000 1.098 651 I CB 1.930 39.884 38.000 -0.078 0.000 1.266 651 I HN 0.775 nan 8.210 nan 0.000 0.434 652 S N 7.251 122.897 115.700 -0.091 0.000 2.489 652 S HA 0.802 5.324 4.470 0.087 0.000 0.291 652 S C -0.144 174.456 174.600 0.001 0.000 1.151 652 S CA -0.540 57.645 58.200 -0.024 0.000 1.082 652 S CB 1.571 64.834 63.200 0.104 0.000 1.019 652 S HN 0.620 nan 8.310 nan 0.000 0.492 653 I N -2.585 117.951 120.570 -0.058 0.000 3.294 653 I HA 1.032 5.255 4.170 0.087 0.000 0.311 653 I C -0.182 175.963 176.117 0.047 0.000 1.111 653 I CA -0.776 60.498 61.300 -0.044 0.000 0.976 653 I CB 0.551 38.353 38.000 -0.330 0.000 1.260 653 I HN 1.036 nan 8.210 nan 0.000 0.474 654 E N -0.546 119.715 120.200 0.102 0.000 2.073 654 E HA 0.561 4.963 4.350 0.087 0.000 0.269 654 E C 0.511 177.151 176.600 0.066 0.000 0.917 654 E CA -0.085 56.374 56.400 0.100 0.000 0.757 654 E CB 0.648 30.425 29.700 0.127 0.000 1.111 654 E HN 1.395 nan 8.360 nan 0.000 0.410 655 T N -2.217 112.352 114.554 0.025 0.000 3.054 655 T HA 0.019 4.421 4.350 0.087 0.000 0.255 655 T C 1.951 176.644 174.700 -0.013 0.000 1.035 655 T CA 0.996 63.098 62.100 0.004 0.000 0.941 655 T CB -0.024 68.832 68.868 -0.019 0.000 1.026 655 T HN 0.599 nan 8.240 nan 0.000 0.533 656 S N 1.928 117.618 115.700 -0.016 0.000 2.355 656 S HA -0.061 4.461 4.470 0.087 0.000 0.222 656 S C 2.518 177.006 174.600 -0.186 0.000 1.031 656 S CA 1.049 59.211 58.200 -0.063 0.000 0.993 656 S CB -0.924 62.263 63.200 -0.021 0.000 0.859 656 S HN 0.740 nan 8.310 nan 0.000 0.453 657 R N 1.665 122.093 120.500 -0.121 0.000 2.105 657 R HA 0.017 4.410 4.340 0.087 0.000 0.239 657 R C 2.541 178.710 176.300 -0.219 0.000 1.135 657 R CA 2.128 58.133 56.100 -0.160 0.000 0.967 657 R CB -1.931 28.337 30.300 -0.052 0.000 0.861 657 R HN 0.943 nan 8.270 nan 0.000 0.442 658 S N -1.906 113.729 115.700 -0.109 0.000 2.575 658 S HA 0.055 4.577 4.470 0.087 0.000 0.215 658 S C 0.406 175.040 174.600 0.058 0.000 0.966 658 S CA 0.377 58.570 58.200 -0.011 0.000 0.911 658 S CB -0.326 62.903 63.200 0.048 0.000 0.780 658 S HN 0.718 nan 8.310 nan 0.000 0.514 659 H N 0.311 119.393 119.070 0.021 0.000 3.179 659 H HA -0.200 4.408 4.556 0.087 0.000 0.250 659 H C 1.339 176.666 175.328 -0.002 0.000 1.142 659 H CA 1.142 57.195 56.048 0.009 0.000 1.165 659 H CB -1.705 28.061 29.762 0.007 0.000 1.253 659 H HN 0.948 nan 8.280 nan 0.000 0.325 660 G N -0.339 108.502 108.800 0.068 0.000 2.229 660 G HA2 -0.230 3.782 3.960 0.087 0.000 0.189 660 G HA3 -0.230 3.782 3.960 0.087 0.000 0.189 660 G C 0.594 175.511 174.900 0.027 0.000 1.000 660 G CA 0.347 45.462 45.100 0.025 0.000 0.663 660 G HN 0.383 nan 8.290 nan 0.000 0.493 661 D N 0.505 120.940 120.400 0.059 0.000 2.378 661 D HA 0.264 4.956 4.640 0.087 0.000 0.227 661 D C 2.652 178.994 176.300 0.070 0.000 1.012 661 D CA 1.080 55.116 54.000 0.061 0.000 0.905 661 D CB -0.361 40.483 40.800 0.072 0.000 0.895 661 D HN 0.901 nan 8.370 nan 0.000 0.532 662 I N 0.237 120.846 120.570 0.066 0.000 2.756 662 I HA -0.033 4.189 4.170 0.087 0.000 0.262 662 I C 2.093 178.269 176.117 0.099 0.000 1.225 662 I CA 0.612 61.970 61.300 0.095 0.000 1.472 662 I CB -0.979 37.075 38.000 0.090 0.000 1.094 662 I HN 0.017 nan 8.210 nan 0.000 0.454 663 I N 1.534 122.144 120.570 0.065 0.000 3.001 663 I HA -0.005 4.217 4.170 0.087 0.000 0.268 663 I C 2.591 178.829 176.117 0.201 0.000 1.267 663 I CA 1.583 62.950 61.300 0.113 0.000 1.472 663 I CB -0.777 37.256 38.000 0.055 0.000 1.089 663 I HN 0.522 nan 8.210 nan 0.000 0.468 664 E N 0.363 120.645 120.200 0.138 0.000 2.108 664 E HA -0.349 4.053 4.350 0.087 0.000 0.203 664 E C 2.294 178.958 176.600 0.108 0.000 1.022 664 E CA 2.246 58.712 56.400 0.110 0.000 0.823 664 E CB -1.648 28.101 29.700 0.083 0.000 0.744 664 E HN 0.754 nan 8.360 nan 0.000 0.456 665 S N -0.602 115.160 115.700 0.104 0.000 2.383 665 S HA 0.169 4.691 4.470 0.087 0.000 0.227 665 S C 1.938 176.483 174.600 -0.091 0.000 1.026 665 S CA 1.453 59.641 58.200 -0.020 0.000 0.981 665 S CB -0.396 62.746 63.200 -0.097 0.000 0.818 665 S HN 0.416 nan 8.310 nan 0.000 0.472 666 F N 1.746 121.667 119.950 -0.048 0.000 2.325 666 F HA 0.076 4.655 4.527 0.087 0.000 0.299 666 F C 2.398 178.233 175.800 0.059 0.000 1.090 666 F CA 0.848 58.831 58.000 -0.030 0.000 1.392 666 F CB -0.159 38.761 39.000 -0.133 0.000 1.053 666 F HN 0.301 nan 8.300 nan 0.000 0.521 667 E N -0.109 120.228 120.200 0.228 0.000 2.028 667 E HA -0.149 4.253 4.350 0.087 0.000 0.191 667 E C 2.150 178.815 176.600 0.108 0.000 0.988 667 E CA 1.867 58.362 56.400 0.159 0.000 0.799 667 E CB -0.466 29.309 29.700 0.125 0.000 0.755 667 E HN 0.263 nan 8.360 nan 0.000 0.447 668 T N 1.003 115.603 114.554 0.077 0.000 2.720 668 T HA -0.142 4.260 4.350 0.087 0.000 0.268 668 T C 1.767 176.493 174.700 0.044 0.000 1.037 668 T CA 1.345 63.474 62.100 0.048 0.000 1.144 668 T CB -0.146 68.738 68.868 0.028 0.000 0.864 668 T HN 0.198 nan 8.240 nan 0.000 0.444 669 A N 0.924 123.770 122.820 0.044 0.000 2.302 669 A HA 0.425 4.797 4.320 0.087 0.000 0.219 669 A C 1.028 178.665 177.584 0.090 0.000 1.243 669 A CA -0.288 51.776 52.037 0.045 0.000 0.856 669 A CB -0.566 18.439 19.000 0.009 0.000 0.893 669 A HN 0.357 nan 8.150 nan 0.000 0.491 670 V N -0.698 119.280 119.914 0.106 0.000 5.746 670 V HA -0.275 3.898 4.120 0.087 0.000 0.220 670 V C 0.229 176.402 176.094 0.133 0.000 0.688 670 V CA 0.971 63.337 62.300 0.110 0.000 0.550 670 V CB -2.507 29.352 31.823 0.058 0.000 0.219 670 V HN 0.623 nan 8.190 nan 0.000 0.512 671 Y N 5.604 125.949 120.300 0.075 0.000 2.677 671 Y HA 0.288 4.891 4.550 0.088 0.000 0.335 671 Y C -0.299 175.616 175.900 0.025 0.000 1.162 671 Y CA -1.401 56.749 58.100 0.083 0.000 1.483 671 Y CB 1.168 39.783 38.460 0.258 0.000 1.209 671 Y HN 0.366 nan 8.280 nan 0.000 0.528 672 P HA 0.059 nan 4.420 nan 0.000 0.261 672 P C -0.599 176.521 177.300 -0.299 0.000 1.268 672 P CA 0.377 63.343 63.100 -0.224 0.000 0.833 672 P CB 0.540 32.129 31.700 -0.185 0.000 1.231 673 L N -0.044 120.846 121.223 -0.556 0.000 2.440 673 L HA 0.589 4.981 4.340 0.087 0.000 0.262 673 L C 1.354 178.168 176.870 -0.094 0.000 1.072 673 L CA -0.696 53.933 54.840 -0.351 0.000 0.798 673 L CB -0.354 41.423 42.059 -0.471 0.000 1.307 673 L HN -0.125 nan 8.230 nan 0.000 0.475 674 G N 0.489 109.247 108.800 -0.071 0.000 2.406 674 G HA2 0.510 4.522 3.960 0.087 0.000 0.251 674 G HA3 0.510 4.522 3.960 0.087 0.000 0.251 674 G C -0.615 174.198 174.900 -0.145 0.000 1.271 674 G CA -0.182 44.854 45.100 -0.107 0.000 0.859 674 G HN 0.401 nan 8.290 nan 0.000 0.540 675 I N 1.673 122.086 120.570 -0.263 0.000 2.447 675 I HA 0.358 4.580 4.170 0.087 0.000 0.287 675 I C 0.673 176.721 176.117 -0.115 0.000 1.023 675 I CA -0.836 60.273 61.300 -0.317 0.000 1.083 675 I CB 2.201 39.884 38.000 -0.529 0.000 1.245 675 I HN 0.570 nan 8.210 nan 0.000 0.434 676 G N 6.853 115.572 108.800 -0.135 0.000 2.372 676 G HA2 0.625 4.637 3.960 0.087 0.000 0.283 676 G HA3 0.625 4.637 3.960 0.087 0.000 0.283 676 G C -0.648 174.280 174.900 0.046 0.000 1.177 676 G CA -0.453 44.666 45.100 0.032 0.000 0.842 676 G HN 0.482 nan 8.290 nan 0.000 0.503 677 L N 2.746 124.049 121.223 0.133 0.000 2.277 677 L HA 0.381 4.773 4.340 0.087 0.000 0.284 677 L C 1.012 177.923 176.870 0.068 0.000 1.028 677 L CA -0.839 54.045 54.840 0.074 0.000 0.835 677 L CB 1.673 43.779 42.059 0.078 0.000 1.215 677 L HN 0.607 nan 8.230 nan 0.000 0.425 678 G N 2.797 111.629 108.800 0.053 0.000 2.508 678 G HA2 0.316 4.328 3.960 0.087 0.000 0.301 678 G HA3 0.316 4.328 3.960 0.087 0.000 0.301 678 G C 0.650 175.577 174.900 0.045 0.000 0.965 678 G CA -0.270 44.870 45.100 0.066 0.000 1.339 678 G HN 0.552 nan 8.290 nan 0.000 0.455 679 V N -0.158 119.782 119.914 0.044 0.000 3.039 679 V HA 0.656 4.828 4.120 0.087 0.000 0.369 679 V C 0.099 176.212 176.094 0.032 0.000 1.344 679 V CA -0.452 61.866 62.300 0.030 0.000 1.270 679 V CB -1.767 30.073 31.823 0.028 0.000 1.284 679 V HN 0.925 nan 8.190 nan 0.000 0.518 680 Y N -1.467 118.853 120.300 0.034 0.000 2.282 680 Y HA 0.592 5.195 4.550 0.087 0.000 0.317 680 Y C -0.763 175.160 175.900 0.038 0.000 1.236 680 Y CA -1.406 56.714 58.100 0.034 0.000 1.134 680 Y CB 0.353 38.836 38.460 0.039 0.000 1.267 680 Y HN 0.408 nan 8.280 nan 0.000 0.410 681 D N 3.311 123.734 120.400 0.038 0.000 2.412 681 D HA 0.220 4.912 4.640 0.087 0.000 0.257 681 D C 1.219 177.549 176.300 0.050 0.000 1.217 681 D CA 0.482 54.523 54.000 0.069 0.000 0.897 681 D CB 0.715 41.559 40.800 0.073 0.000 1.132 681 D HN 0.830 nan 8.370 nan 0.000 0.493 682 I N 1.315 121.884 120.570 -0.000 0.000 3.550 682 I HA 0.035 4.258 4.170 0.087 0.000 0.295 682 I C 0.894 176.876 176.117 -0.225 0.000 1.291 682 I CA 0.713 61.943 61.300 -0.117 0.000 1.298 682 I CB -0.180 37.714 38.000 -0.177 0.000 1.026 682 I HN 0.423 nan 8.210 nan 0.000 0.491 683 H N 0.514 119.598 119.070 0.024 0.000 2.557 683 H HA 0.438 5.048 4.556 0.090 0.000 0.281 683 H C 1.630 176.967 175.328 0.015 0.000 0.990 683 H CA 0.656 56.714 56.048 0.017 0.000 1.278 683 H CB 0.064 29.829 29.762 0.004 0.000 1.451 683 H HN 0.541 nan 8.280 nan 0.000 0.516 688 P HA 0.759 nan 4.420 nan 0.000 0.278 688 P C 0.214 177.530 177.300 0.027 0.000 1.238 688 P CA 0.591 63.711 63.100 0.032 0.000 0.794 688 P CB 1.171 32.892 31.700 0.035 0.000 0.955 689 T N -0.158 114.412 114.554 0.027 0.000 2.922 689 T HA 0.193 4.595 4.350 0.087 0.000 0.285 689 T C 1.001 175.712 174.700 0.019 0.000 1.005 689 T CA -0.597 61.515 62.100 0.020 0.000 1.061 689 T CB 0.570 69.449 68.868 0.018 0.000 1.007 689 T HN 0.386 nan 8.240 nan 0.000 0.502 690 K N 0.763 121.171 120.400 0.013 0.000 2.057 690 K HA -0.066 4.306 4.320 0.087 0.000 0.207 690 K C 2.376 178.982 176.600 0.009 0.000 1.049 690 K CA 1.933 58.226 56.287 0.011 0.000 0.931 690 K CB -0.241 32.263 32.500 0.006 0.000 0.714 690 K HN 0.762 nan 8.250 nan 0.000 0.440 691 E N 1.096 121.300 120.200 0.008 0.000 2.347 691 E HA -0.175 4.227 4.350 0.087 0.000 0.196 691 E C 1.553 178.159 176.600 0.010 0.000 1.008 691 E CA 1.242 57.645 56.400 0.005 0.000 0.852 691 E CB -0.447 29.254 29.700 0.001 0.000 0.783 691 E HN 0.635 nan 8.360 nan 0.000 0.505 692 E N -0.758 119.454 120.200 0.019 0.000 2.170 692 E HA 0.047 4.449 4.350 0.087 0.000 0.191 692 E C 2.282 178.906 176.600 0.040 0.000 0.981 692 E CA 0.848 57.269 56.400 0.034 0.000 0.830 692 E CB 0.092 29.818 29.700 0.043 0.000 0.775 692 E HN 0.456 nan 8.360 nan 0.000 0.470 693 V N 0.940 120.871 119.914 0.028 0.000 2.446 693 V HA -0.094 4.078 4.120 0.087 0.000 0.244 693 V C 2.247 178.349 176.094 0.013 0.000 1.039 693 V CA 1.823 64.138 62.300 0.025 0.000 1.045 693 V CB -0.593 31.244 31.823 0.024 0.000 0.681 693 V HN 0.184 nan 8.190 nan 0.000 0.459 694 V N 0.716 120.633 119.914 0.005 0.000 2.332 694 V HA -0.240 3.932 4.120 0.087 0.000 0.248 694 V C 2.749 178.834 176.094 -0.014 0.000 1.055 694 V CA 2.914 65.210 62.300 -0.008 0.000 1.038 694 V CB -0.440 31.377 31.823 -0.009 0.000 0.651 694 V HN 0.725 nan 8.190 nan 0.000 0.450 695 A N 0.180 122.997 122.820 -0.004 0.000 1.933 695 A HA -0.251 4.122 4.320 0.087 0.000 0.218 695 A C 2.157 179.740 177.584 -0.002 0.000 1.175 695 A CA 1.994 54.027 52.037 -0.007 0.000 0.628 695 A CB -0.935 18.064 19.000 -0.001 0.000 0.814 695 A HN 0.659 nan 8.150 nan 0.000 0.444 696 N N 0.262 118.972 118.700 0.017 0.000 2.244 696 N HA -0.072 4.720 4.740 0.087 0.000 0.183 696 N C 1.526 177.019 175.510 -0.028 0.000 1.016 696 N CA 1.395 54.457 53.050 0.020 0.000 0.866 696 N CB -0.294 38.215 38.487 0.037 0.000 0.980 696 N HN 0.572 nan 8.380 nan 0.000 0.430 697 I N 0.725 121.269 120.570 -0.043 0.000 2.233 697 I HA -0.145 4.077 4.170 0.087 0.000 0.243 697 I C 1.818 177.846 176.117 -0.148 0.000 1.093 697 I CA 0.874 62.122 61.300 -0.087 0.000 1.380 697 I CB -0.187 37.777 38.000 -0.060 0.000 1.067 697 I HN 0.125 nan 8.210 nan 0.000 0.413 698 E N 0.443 120.579 120.200 -0.106 0.000 2.274 698 E HA -0.226 4.177 4.350 0.087 0.000 0.194 698 E C 2.053 178.578 176.600 -0.124 0.000 0.996 698 E CA 0.431 56.761 56.400 -0.116 0.000 0.840 698 E CB -0.032 29.625 29.700 -0.070 0.000 0.772 698 E HN 0.239 nan 8.360 nan 0.000 0.491 699 R N 1.782 122.224 120.500 -0.098 0.000 2.097 699 R HA -0.137 4.256 4.340 0.087 0.000 0.236 699 R C -0.867 175.366 176.300 -0.111 0.000 1.135 699 R CA 1.850 57.905 56.100 -0.075 0.000 0.934 699 R CB -1.471 28.808 30.300 -0.034 0.000 0.846 699 R HN 0.091 nan 8.270 nan 0.000 0.431 700 P HA -0.025 nan 4.420 nan 0.000 0.234 700 P C 0.487 177.571 177.300 -0.361 0.000 1.167 700 P CA 0.922 63.875 63.100 -0.246 0.000 0.763 700 P CB -0.018 31.465 31.700 -0.361 0.000 0.835 701 L N -1.093 119.916 121.223 -0.356 0.000 2.610 701 L HA 0.048 4.441 4.340 0.087 0.000 0.232 701 L C 2.545 179.366 176.870 -0.082 0.000 1.149 701 L CA 0.345 55.028 54.840 -0.261 0.000 0.872 701 L CB -0.436 41.492 42.059 -0.218 0.000 0.992 701 L HN -0.015 nan 8.230 nan 0.000 0.447 702 R N 0.561 121.027 120.500 -0.056 0.000 2.070 702 R HA -0.232 4.160 4.340 0.087 0.000 0.233 702 R C 2.297 178.613 176.300 0.027 0.000 1.137 702 R CA 2.372 58.467 56.100 -0.009 0.000 0.945 702 R CB 0.013 30.312 30.300 -0.003 0.000 0.845 702 R HN 0.431 nan 8.270 nan 0.000 0.430 703 Q N -0.269 119.566 119.800 0.060 0.000 2.525 703 Q HA 0.372 4.764 4.340 0.087 0.000 0.203 703 Q C 1.176 177.250 176.000 0.123 0.000 0.947 703 Q CA 0.658 56.511 55.803 0.084 0.000 0.881 703 Q CB -0.859 27.934 28.738 0.092 0.000 1.049 703 Q HN 0.360 nan 8.270 nan 0.000 0.600 704 L N 2.220 123.564 121.223 0.201 0.000 2.467 704 L HA 0.646 5.038 4.340 0.087 0.000 0.270 704 L C 0.964 178.021 176.870 0.311 0.000 1.205 704 L CA -0.149 54.849 54.840 0.263 0.000 0.828 704 L CB 0.008 42.284 42.059 0.362 0.000 1.101 704 L HN 0.960 nan 8.230 nan 0.000 0.479 705 S N 1.241 117.078 115.700 0.229 0.000 2.585 705 S HA 0.385 4.908 4.470 0.087 0.000 0.273 705 S C -1.561 173.236 174.600 0.328 0.000 1.339 705 S CA -0.333 57.985 58.200 0.196 0.000 1.028 705 S CB 0.514 63.776 63.200 0.102 0.000 0.906 705 S HN 0.664 nan 8.310 nan 0.000 0.528 706 P HA -0.029 nan 4.420 nan 0.000 0.218 706 P C 1.323 178.768 177.300 0.241 0.000 1.149 706 P CA 1.233 64.487 63.100 0.258 0.000 0.817 706 P CB -0.446 31.312 31.700 0.097 0.000 0.785 707 T N -3.556 111.076 114.554 0.131 0.000 3.427 707 T HA -0.095 4.307 4.350 0.087 0.000 0.256 707 T C 1.402 176.132 174.700 0.049 0.000 1.172 707 T CA 0.425 62.564 62.100 0.065 0.000 1.018 707 T CB -0.744 68.142 68.868 0.030 0.000 0.981 707 T HN 0.236 nan 8.240 nan 0.000 0.555 708 Q N -0.794 119.040 119.800 0.057 0.000 2.211 708 Q HA 0.315 4.707 4.340 0.087 0.000 0.242 708 Q C -0.706 175.139 176.000 -0.259 0.000 0.825 708 Q CA -0.336 55.372 55.803 -0.159 0.000 0.951 708 Q CB 0.557 29.082 28.738 -0.355 0.000 1.130 708 Q HN 0.547 nan 8.270 nan 0.000 0.496 709 F N -0.419 119.606 119.950 0.125 0.000 2.523 709 F HA 0.546 5.124 4.527 0.086 0.000 0.329 709 F C -0.657 175.295 175.800 0.254 0.000 1.061 709 F CA -0.758 57.342 58.000 0.167 0.000 0.967 709 F CB 1.013 40.048 39.000 0.059 0.000 1.218 709 F HN -0.027 nan 8.300 nan 0.000 0.480 710 W N 0.877 122.275 121.300 0.163 0.000 2.844 710 W HA 0.723 5.436 4.660 0.088 0.000 0.340 710 W C -0.750 175.823 176.519 0.090 0.000 1.093 710 W CA -1.245 56.160 57.345 0.100 0.000 1.212 710 W CB 1.096 30.599 29.460 0.072 0.000 1.422 710 W HN 0.480 nan 8.180 nan 0.000 0.515 711 V N 3.219 123.284 119.914 0.251 0.000 2.398 711 V HA 0.763 4.936 4.120 0.087 0.000 0.286 711 V C -0.507 175.690 176.094 0.171 0.000 1.026 711 V CA -0.592 61.805 62.300 0.161 0.000 0.868 711 V CB 0.943 32.815 31.823 0.082 0.000 0.982 711 V HN 0.613 nan 8.190 nan 0.000 0.443 712 N N 3.310 122.092 118.700 0.137 0.000 3.046 712 N HA 0.695 5.488 4.740 0.087 0.000 0.243 712 N C -3.486 172.070 175.510 0.076 0.000 1.452 712 N CA -1.589 51.529 53.050 0.112 0.000 0.882 712 N CB 1.703 40.264 38.487 0.123 0.000 1.425 712 N HN 0.303 nan 8.380 nan 0.000 0.517 713 P HA 0.224 nan 4.420 nan 0.000 0.273 713 P C -0.040 177.291 177.300 0.052 0.000 1.250 713 P CA -0.161 62.964 63.100 0.043 0.000 0.793 713 P CB 0.549 32.264 31.700 0.024 0.000 1.011 714 D N -0.836 119.601 120.400 0.061 0.000 2.092 714 D HA -0.092 4.600 4.640 0.087 0.000 0.193 714 D C 0.840 177.243 176.300 0.171 0.000 0.994 714 D CA 1.474 55.538 54.000 0.106 0.000 0.828 714 D CB -0.124 40.735 40.800 0.099 0.000 0.963 714 D HN 0.261 nan 8.370 nan 0.000 0.450 715 c N -2.459 116.194 118.600 0.089 0.000 3.175 715 c HA 0.666 5.288 4.570 0.087 0.000 0.375 715 c C 0.359 174.402 174.090 -0.078 0.000 2.777 715 c CA -0.348 56.044 56.329 0.105 0.000 1.221 715 c CB 0.993 43.626 42.510 0.204 0.000 3.182 715 c HN 0.336 nan 8.230 nan 0.000 0.440 716 G N 0.710 109.452 108.800 -0.097 0.000 2.732 716 G HA2 0.389 4.402 3.960 0.087 0.000 0.244 716 G HA3 0.389 4.402 3.960 0.087 0.000 0.244 716 G C -0.266 174.549 174.900 -0.141 0.000 1.226 716 G CA 0.060 45.059 45.100 -0.168 0.000 0.860 716 G HN 0.531 nan 8.290 nan 0.000 0.583 717 L N 0.675 121.805 121.223 -0.155 0.000 2.959 717 L HA 0.277 4.669 4.340 0.087 0.000 0.259 717 L C 2.729 179.562 176.870 -0.062 0.000 1.185 717 L CA 0.538 55.334 54.840 -0.074 0.000 0.998 717 L CB -0.338 41.736 42.059 0.026 0.000 1.337 717 L HN 0.743 nan 8.230 nan 0.000 0.555 718 K N -0.642 119.700 120.400 -0.097 0.000 2.280 718 K HA -0.097 4.276 4.320 0.087 0.000 0.202 718 K C 1.908 178.506 176.600 -0.004 0.000 1.047 718 K CA 2.006 58.258 56.287 -0.059 0.000 0.942 718 K CB -1.307 31.153 32.500 -0.066 0.000 0.739 718 K HN 0.393 nan 8.250 nan 0.000 0.457 719 T N 0.554 115.097 114.554 -0.018 0.000 2.770 719 T HA -0.004 4.398 4.350 0.087 0.000 0.263 719 T C 1.090 175.802 174.700 0.021 0.000 1.039 719 T CA 0.325 62.426 62.100 0.002 0.000 1.142 719 T CB -0.031 68.806 68.868 -0.050 0.000 0.868 719 T HN 0.421 nan 8.240 nan 0.000 0.435 720 R N 1.877 122.386 120.500 0.014 0.000 2.726 720 R HA 0.291 4.684 4.340 0.087 0.000 0.272 720 R C 0.400 176.745 176.300 0.076 0.000 1.097 720 R CA -0.121 56.004 56.100 0.042 0.000 1.198 720 R CB 0.229 30.554 30.300 0.042 0.000 1.114 720 R HN 0.332 nan 8.270 nan 0.000 0.550 721 Q N 1.231 121.081 119.800 0.084 0.000 2.230 721 Q HA 0.038 4.430 4.340 0.087 0.000 0.248 721 Q C 0.972 177.055 176.000 0.139 0.000 0.915 721 Q CA -0.065 55.800 55.803 0.103 0.000 0.900 721 Q CB 1.517 30.302 28.738 0.078 0.000 1.229 721 Q HN 0.647 nan 8.270 nan 0.000 0.439 722 E N 2.614 122.922 120.200 0.181 0.000 2.070 722 E HA -0.198 4.204 4.350 0.087 0.000 0.197 722 E C -1.000 175.671 176.600 0.120 0.000 1.004 722 E CA 1.430 57.973 56.400 0.238 0.000 0.805 722 E CB -0.412 29.436 29.700 0.246 0.000 0.744 722 E HN 0.390 nan 8.360 nan 0.000 0.451 723 P HA -0.237 nan 4.420 nan 0.000 0.213 723 P C 1.016 178.338 177.300 0.037 0.000 1.170 723 P CA 2.322 65.439 63.100 0.029 0.000 0.902 723 P CB -0.288 31.428 31.700 0.027 0.000 0.789 724 E N -1.343 118.888 120.200 0.052 0.000 2.150 724 E HA -0.128 4.274 4.350 0.087 0.000 0.193 724 E C 1.619 178.259 176.600 0.067 0.000 0.985 724 E CA 1.414 57.845 56.400 0.051 0.000 0.814 724 E CB -1.486 28.244 29.700 0.050 0.000 0.752 724 E HN 0.136 nan 8.360 nan 0.000 0.466 725 T N 1.819 116.434 114.554 0.102 0.000 2.708 725 T HA -0.106 4.296 4.350 0.087 0.000 0.266 725 T C 1.868 176.641 174.700 0.123 0.000 1.037 725 T CA 1.330 63.515 62.100 0.142 0.000 1.146 725 T CB -0.093 68.918 68.868 0.238 0.000 0.865 725 T HN 0.146 nan 8.240 nan 0.000 0.435 726 I N 1.667 122.286 120.570 0.081 0.000 2.286 726 I HA -0.075 4.147 4.170 0.087 0.000 0.248 726 I C 2.864 178.989 176.117 0.014 0.000 1.115 726 I CA 0.956 62.263 61.300 0.012 0.000 1.392 726 I CB -1.694 36.259 38.000 -0.078 0.000 1.065 726 I HN 0.180 nan 8.210 nan 0.000 0.418 727 A N 0.972 123.804 122.820 0.019 0.000 1.898 727 A HA -0.027 4.345 4.320 0.087 0.000 0.216 727 A C 2.590 180.191 177.584 0.028 0.000 1.181 727 A CA 1.730 53.776 52.037 0.016 0.000 0.620 727 A CB -0.671 18.338 19.000 0.015 0.000 0.819 727 A HN 0.393 nan 8.150 nan 0.000 0.442 728 A N -0.127 122.719 122.820 0.043 0.000 1.898 728 A HA -0.017 4.356 4.320 0.087 0.000 0.216 728 A C 2.154 179.771 177.584 0.054 0.000 1.181 728 A CA 1.430 53.497 52.037 0.049 0.000 0.620 728 A CB -0.603 18.432 19.000 0.058 0.000 0.819 728 A HN 0.464 nan 8.150 nan 0.000 0.442 729 L N -0.662 120.603 121.223 0.069 0.000 2.046 729 L HA -0.221 4.171 4.340 0.087 0.000 0.208 729 L C 2.577 179.476 176.870 0.049 0.000 1.077 729 L CA 1.727 56.613 54.840 0.076 0.000 0.747 729 L CB -0.517 41.604 42.059 0.103 0.000 0.896 729 L HN 0.368 nan 8.230 nan 0.000 0.432 730 K N 0.185 120.603 120.400 0.030 0.000 2.044 730 K HA -0.221 4.152 4.320 0.087 0.000 0.210 730 K C 2.208 178.819 176.600 0.018 0.000 1.049 730 K CA 1.906 58.202 56.287 0.015 0.000 0.927 730 K CB -0.668 31.833 32.500 0.003 0.000 0.713 730 K HN 0.342 nan 8.250 nan 0.000 0.443 731 V N 1.670 121.597 119.914 0.021 0.000 2.358 731 V HA -0.193 3.979 4.120 0.087 0.000 0.246 731 V C 2.787 178.895 176.094 0.024 0.000 1.047 731 V CA 2.472 64.784 62.300 0.020 0.000 1.035 731 V CB -1.441 30.395 31.823 0.022 0.000 0.658 731 V HN 0.252 nan 8.190 nan 0.000 0.452 732 L N -0.706 120.537 121.223 0.034 0.000 1.989 732 L HA -0.121 4.271 4.340 0.087 0.000 0.211 732 L C 2.747 179.636 176.870 0.031 0.000 1.071 732 L CA 2.887 57.750 54.840 0.038 0.000 0.749 732 L CB -1.720 40.372 42.059 0.055 0.000 0.890 732 L HN 0.398 nan 8.230 nan 0.000 0.431 733 V N 0.113 120.045 119.914 0.031 0.000 2.427 733 V HA -0.181 3.992 4.120 0.087 0.000 0.248 733 V C 3.137 179.237 176.094 0.010 0.000 1.051 733 V CA 1.742 64.055 62.300 0.022 0.000 1.048 733 V CB -1.278 30.558 31.823 0.021 0.000 0.666 733 V HN 0.812 nan 8.190 nan 0.000 0.456 734 A N 0.223 123.048 122.820 0.009 0.000 1.898 734 A HA -0.070 4.302 4.320 0.087 0.000 0.216 734 A C 2.450 180.035 177.584 0.002 0.000 1.181 734 A CA 1.982 54.021 52.037 0.003 0.000 0.620 734 A CB -0.809 18.193 19.000 0.003 0.000 0.819 734 A HN 0.553 nan 8.150 nan 0.000 0.442 735 A N -0.943 121.880 122.820 0.006 0.000 1.902 735 A HA -0.096 4.277 4.320 0.087 0.000 0.217 735 A C 2.318 179.901 177.584 -0.002 0.000 1.181 735 A CA 2.380 54.419 52.037 0.003 0.000 0.623 735 A CB -1.262 17.743 19.000 0.008 0.000 0.818 735 A HN 0.438 nan 8.150 nan 0.000 0.443 736 T N -0.006 114.548 114.554 0.001 0.000 2.668 736 T HA -0.131 4.272 4.350 0.087 0.000 0.262 736 T C 1.942 176.634 174.700 -0.013 0.000 1.045 736 T CA 1.657 63.754 62.100 -0.006 0.000 1.152 736 T CB -0.245 68.622 68.868 -0.001 0.000 0.864 736 T HN 0.531 nan 8.240 nan 0.000 0.419 737 K N 0.824 121.217 120.400 -0.011 0.000 2.089 737 K HA -0.229 4.144 4.320 0.087 0.000 0.210 737 K C 2.406 178.998 176.600 -0.013 0.000 1.048 737 K CA 1.777 58.056 56.287 -0.014 0.000 0.926 737 K CB -0.192 32.301 32.500 -0.011 0.000 0.714 737 K HN 0.496 nan 8.250 nan 0.000 0.448 738 E N 0.908 121.102 120.200 -0.011 0.000 2.038 738 E HA -0.197 4.205 4.350 0.087 0.000 0.195 738 E C 1.898 178.489 176.600 -0.014 0.000 1.000 738 E CA 1.865 58.258 56.400 -0.011 0.000 0.803 738 E CB -0.034 29.661 29.700 -0.009 0.000 0.750 738 E HN 0.222 nan 8.360 nan 0.000 0.448 739 V N -0.652 119.252 119.914 -0.017 0.000 2.867 739 V HA -0.166 4.006 4.120 0.087 0.000 0.260 739 V C 2.032 178.114 176.094 -0.021 0.000 1.099 739 V CA 1.692 63.979 62.300 -0.022 0.000 1.122 739 V CB -0.664 31.142 31.823 -0.029 0.000 0.708 739 V HN 0.196 nan 8.190 nan 0.000 0.490 740 R N 0.298 120.787 120.500 -0.019 0.000 2.075 740 R HA -0.025 4.368 4.340 0.087 0.000 0.226 740 R C 2.753 179.044 176.300 -0.015 0.000 1.114 740 R CA 1.636 57.725 56.100 -0.018 0.000 0.972 740 R CB -0.810 29.478 30.300 -0.021 0.000 0.869 740 R HN 0.700 nan 8.270 nan 0.000 0.437 741 Q N 1.526 121.318 119.800 -0.013 0.000 2.124 741 Q HA -0.167 4.226 4.340 0.087 0.000 0.202 741 Q C 1.957 177.951 176.000 -0.010 0.000 0.977 741 Q CA 2.071 57.867 55.803 -0.011 0.000 0.850 741 Q CB -0.783 27.949 28.738 -0.011 0.000 0.901 741 Q HN 0.473 nan 8.270 nan 0.000 0.429 742 K N -0.164 120.229 120.400 -0.012 0.000 2.589 742 K HA 0.406 4.778 4.320 0.087 0.000 0.192 742 K C 0.838 177.432 176.600 -0.011 0.000 1.029 742 K CA 0.235 56.515 56.287 -0.011 0.000 1.031 742 K CB -1.741 30.751 32.500 -0.013 0.000 0.821 742 K HN 0.815 nan 8.250 nan 0.000 0.502 743 L N 0.000 121.217 121.223 -0.010 0.000 2.949 743 L HA 0.000 4.392 4.340 0.087 0.000 0.249 743 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 743 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 743 L HN 0.000 nan 8.230 nan 0.000 0.502