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 3dbh_1_B DATA FIRST_RESID 11 DATA SEQUENCE LDWEGRWNHV KKFLERSGPF THPDFEPSTE SLQFLLDTCK VLVIGAGGLG DATA SEQUENCE CELLKNLALS GFRQIHVIDM DTIDVSNLNR QFLFRPKDIG RPKAEVAAEF DATA SEQUENCE LNDRVPNCNV VPHFNKIQDF NDTFYRQFHI IVCGLDSIIA RRWINGMLIS DATA SEQUENCE LLNYEDGVLD PSSIVPLIDG GTEGFKGNAA VILPGMTACI ECTLELYPPQ DATA SEQUENCE VNFPMATIAS MPRLPEHCIE YVRMLQWPKE QPFGEGVPLD GDDPEHIQWI DATA SEQUENCE FQKSLERASQ YNIRGVTYRL TQGVVKRIIP AVASTNAVIA AVCATEVFKI DATA SEQUENCE ATSAYIPLNN YLVFNDVDGL YTYTFEAERK ENCPACSQLP QNIQFSPSAK DATA SEQUENCE LQEVLDYLTN SASLQMKSPA ITATLEGKNR TLYLQSVTSI EERTRPNLSK DATA SEQUENCE TLKELGLVDG QELAVADVTT PQTVLFKLHF TS 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.926 176.870 0.094 0.000 1.165 11 L CA 0.000 54.899 54.840 0.098 0.000 0.813 11 L CB 0.000 42.104 42.059 0.075 0.000 0.961 12 D N 0.041 120.484 120.400 0.073 0.000 2.301 12 D HA 0.291 4.930 4.640 -0.000 0.000 0.187 12 D C -1.244 175.012 176.300 -0.073 0.000 1.264 12 D CA -0.267 53.694 54.000 -0.065 0.000 0.849 12 D CB 0.909 41.730 40.800 0.036 0.000 1.828 12 D HN 0.110 nan 8.370 nan 0.000 0.526 13 W N 2.186 123.490 121.300 0.008 0.000 2.049 13 W HA 0.545 5.205 4.660 -0.000 0.000 0.356 13 W C 0.433 176.942 176.519 -0.017 0.000 1.323 13 W CA -0.401 56.938 57.345 -0.011 0.000 1.336 13 W CB 0.179 29.619 29.460 -0.034 0.000 1.176 13 W HN 0.110 nan 8.180 nan 0.000 0.623 14 E N 1.236 121.616 120.200 0.300 0.000 2.606 14 E HA 0.109 4.459 4.350 -0.000 0.000 0.248 14 E C 1.221 177.931 176.600 0.184 0.000 1.005 14 E CA 1.819 58.328 56.400 0.182 0.000 0.946 14 E CB 0.161 29.955 29.700 0.155 0.000 0.928 14 E HN 0.952 nan 8.360 nan 0.000 0.494 15 G N 4.225 113.059 108.800 0.057 0.000 2.166 15 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.260 15 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.260 15 G C 1.148 176.024 174.900 -0.039 0.000 0.986 15 G CA 0.872 45.989 45.100 0.028 0.000 0.683 15 G HN 0.606 nan 8.290 nan 0.000 0.527 16 R N -0.762 119.562 120.500 -0.293 0.000 2.127 16 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 16 R C 1.447 177.327 176.300 -0.700 0.000 1.134 16 R CA 1.760 57.425 56.100 -0.724 0.000 0.975 16 R CB -0.190 28.923 30.300 -1.978 0.000 0.865 16 R HN 0.614 nan 8.270 nan 0.000 0.447 17 W N 0.112 121.347 121.300 -0.108 0.000 2.862 17 W HA 0.299 4.959 4.660 -0.000 0.000 0.426 17 W C 0.752 177.279 176.519 0.013 0.000 0.950 17 W CA -0.947 56.385 57.345 -0.022 0.000 2.150 17 W CB 0.313 29.749 29.460 -0.040 0.000 1.161 17 W HN 0.107 nan 8.180 nan 0.000 0.696 18 N N 0.106 118.865 118.700 0.098 0.000 2.205 18 N HA -0.193 4.546 4.740 -0.000 0.000 0.186 18 N C 1.036 176.517 175.510 -0.049 0.000 1.015 18 N CA 1.442 54.476 53.050 -0.026 0.000 0.862 18 N CB -0.208 38.173 38.487 -0.176 0.000 0.986 18 N HN 0.346 nan 8.380 nan 0.000 0.429 19 H N -1.729 117.439 119.070 0.162 0.000 2.548 19 H HA 0.162 4.717 4.556 -0.000 0.000 0.268 19 H C 1.373 176.888 175.328 0.311 0.000 0.975 19 H CA 0.417 56.577 56.048 0.186 0.000 1.195 19 H CB 0.526 30.387 29.762 0.165 0.000 1.397 19 H HN 0.023 nan 8.280 nan 0.000 0.572 20 V N -0.263 119.911 119.914 0.433 0.000 3.085 20 V HA -0.051 4.069 4.120 -0.000 0.000 0.245 20 V C 1.880 178.227 176.094 0.421 0.000 1.114 20 V CA 0.709 63.292 62.300 0.473 0.000 1.108 20 V CB 0.150 32.212 31.823 0.399 0.000 0.798 20 V HN 0.222 nan 8.190 nan 0.000 0.471 21 K N 0.889 121.452 120.400 0.272 0.000 2.032 21 K HA -0.174 4.145 4.320 -0.000 0.000 0.209 21 K C 1.971 178.644 176.600 0.121 0.000 1.048 21 K CA 1.514 57.907 56.287 0.175 0.000 0.927 21 K CB -0.224 32.345 32.500 0.115 0.000 0.712 21 K HN 0.331 nan 8.250 nan 0.000 0.441 22 K N -0.299 120.104 120.400 0.004 0.000 2.589 22 K HA -0.133 4.187 4.320 -0.000 0.000 0.195 22 K C 1.301 177.742 176.600 -0.266 0.000 1.040 22 K CA 1.002 57.186 56.287 -0.171 0.000 0.950 22 K CB -0.030 32.282 32.500 -0.312 0.000 0.781 22 K HN 0.154 nan 8.250 nan 0.000 0.486 23 F N -0.931 119.146 119.950 0.211 0.000 2.602 23 F HA 0.113 4.640 4.527 -0.001 0.000 0.284 23 F C 1.616 177.590 175.800 0.289 0.000 1.111 23 F CA -0.027 58.123 58.000 0.250 0.000 1.405 23 F CB 0.290 39.522 39.000 0.386 0.000 1.121 23 F HN -0.143 nan 8.300 nan 0.000 0.603 24 L N -0.522 120.968 121.223 0.446 0.000 2.249 24 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 24 L C 1.861 178.879 176.870 0.247 0.000 1.090 24 L CA 0.932 55.993 54.840 0.368 0.000 0.802 24 L CB -0.273 41.913 42.059 0.211 0.000 0.947 24 L HN 0.094 nan 8.230 nan 0.000 0.453 25 E N 0.283 120.589 120.200 0.175 0.000 2.086 25 E HA 0.025 4.374 4.350 -0.000 0.000 0.190 25 E C 0.440 177.102 176.600 0.104 0.000 0.975 25 E CA 0.311 56.765 56.400 0.091 0.000 0.813 25 E CB 0.321 30.053 29.700 0.053 0.000 0.768 25 E HN 0.388 nan 8.360 nan 0.000 0.457 26 R N 1.218 121.790 120.500 0.120 0.000 2.457 26 R HA 0.295 4.634 4.340 -0.000 0.000 0.284 26 R C -0.016 176.397 176.300 0.188 0.000 1.024 26 R CA -0.306 55.852 56.100 0.098 0.000 1.025 26 R CB 1.457 31.773 30.300 0.026 0.000 1.063 26 R HN 0.010 nan 8.270 nan 0.000 0.493 27 S N 0.029 115.827 115.700 0.164 0.000 2.681 27 S HA 0.825 5.295 4.470 -0.000 0.000 0.299 27 S C 0.018 174.628 174.600 0.016 0.000 1.113 27 S CA -0.643 57.674 58.200 0.194 0.000 1.013 27 S CB 2.120 65.465 63.200 0.241 0.000 1.076 27 S HN 0.742 nan 8.310 nan 0.000 0.534 28 G N -0.181 108.566 108.800 -0.087 0.000 2.695 28 G HA2 0.621 4.581 3.960 -0.000 0.000 0.290 28 G HA3 0.621 4.581 3.960 -0.000 0.000 0.290 28 G C -2.425 172.385 174.900 -0.150 0.000 1.410 28 G CA -1.389 43.652 45.100 -0.099 0.000 0.844 28 G HN 0.520 nan 8.290 nan 0.000 0.478 29 P HA 0.049 nan 4.420 nan 0.000 0.226 29 P C 0.448 177.479 177.300 -0.449 0.000 1.153 29 P CA 0.819 63.696 63.100 -0.372 0.000 0.777 29 P CB 0.134 31.514 31.700 -0.532 0.000 0.794 30 F N -0.536 119.395 119.950 -0.030 0.000 2.639 30 F HA 0.175 4.702 4.527 -0.000 0.000 0.302 30 F C 1.547 177.294 175.800 -0.087 0.000 1.097 30 F CA -0.465 57.544 58.000 0.016 0.000 1.294 30 F CB -0.106 38.992 39.000 0.165 0.000 1.027 30 F HN -0.190 nan 8.300 nan 0.000 0.550 31 T N -0.377 114.100 114.554 -0.127 0.000 2.903 31 T HA -0.095 4.254 4.350 -0.000 0.000 0.314 31 T C -0.148 174.531 174.700 -0.034 0.000 1.078 31 T CA -0.119 61.809 62.100 -0.286 0.000 1.114 31 T CB 0.269 68.898 68.868 -0.399 0.000 0.987 31 T HN 0.293 nan 8.240 nan 0.000 0.548 32 H N 5.542 124.559 119.070 -0.088 0.000 2.722 32 H HA 0.294 4.850 4.556 -0.000 0.000 0.328 32 H C -1.284 174.082 175.328 0.063 0.000 1.067 32 H CA -1.628 54.433 56.048 0.022 0.000 1.447 32 H CB 1.097 30.885 29.762 0.043 0.000 1.469 32 H HN 0.383 nan 8.280 nan 0.000 0.544 33 P HA -0.252 nan 4.420 nan 0.000 0.220 33 P C 0.278 177.460 177.300 -0.197 0.000 1.155 33 P CA 1.600 64.535 63.100 -0.274 0.000 0.880 33 P CB 0.339 31.858 31.700 -0.303 0.000 0.790 34 D N -1.384 118.835 120.400 -0.301 0.000 2.358 34 D HA -0.009 4.631 4.640 -0.000 0.000 0.241 34 D C 0.687 177.031 176.300 0.073 0.000 1.094 34 D CA 0.138 54.107 54.000 -0.051 0.000 0.907 34 D CB -0.650 40.175 40.800 0.042 0.000 0.893 34 D HN 0.196 nan 8.370 nan 0.000 0.528 35 F N 1.660 121.578 119.950 -0.053 0.000 2.403 35 F HA 0.217 4.744 4.527 -0.000 0.000 0.320 35 F C 0.200 175.967 175.800 -0.054 0.000 1.176 35 F CA -0.251 57.729 58.000 -0.033 0.000 1.206 35 F CB 0.759 39.738 39.000 -0.035 0.000 1.235 35 F HN -0.265 nan 8.300 nan 0.000 0.565 36 E N 4.280 123.893 120.200 -0.979 0.000 2.454 36 E HA 0.182 4.532 4.350 -0.000 0.000 0.315 36 E C -2.552 173.508 176.600 -0.900 0.000 0.907 36 E CA -1.796 54.209 56.400 -0.658 0.000 0.797 36 E CB 1.187 30.666 29.700 -0.368 0.000 1.396 36 E HN 0.301 nan 8.360 nan 0.000 0.389 37 P HA -0.064 nan 4.420 nan 0.000 0.261 37 P C -0.606 176.541 177.300 -0.254 0.000 1.183 37 P CA 0.349 63.246 63.100 -0.339 0.000 0.761 37 P CB 1.068 32.743 31.700 -0.041 0.000 0.785 38 S N 1.257 116.836 115.700 -0.202 0.000 2.537 38 S HA 0.324 4.794 4.470 -0.000 0.000 0.270 38 S C 0.689 175.241 174.600 -0.080 0.000 1.142 38 S CA -0.372 57.738 58.200 -0.149 0.000 0.870 38 S CB 1.653 64.734 63.200 -0.199 0.000 1.112 38 S HN 0.423 nan 8.310 nan 0.000 0.466 39 T N 1.365 115.881 114.554 -0.064 0.000 3.054 39 T HA 0.189 4.539 4.350 -0.000 0.000 0.259 39 T C 1.052 175.729 174.700 -0.038 0.000 1.092 39 T CA 1.086 63.166 62.100 -0.034 0.000 1.121 39 T CB -0.231 68.621 68.868 -0.027 0.000 0.912 39 T HN 0.686 nan 8.240 nan 0.000 0.489 40 E N 0.030 120.190 120.200 -0.067 0.000 2.437 40 E HA 0.133 4.483 4.350 -0.000 0.000 0.189 40 E C 1.536 178.097 176.600 -0.065 0.000 1.054 40 E CA -0.078 56.282 56.400 -0.066 0.000 0.874 40 E CB 0.177 29.820 29.700 -0.096 0.000 1.011 40 E HN 0.381 nan 8.360 nan 0.000 0.474 41 S N 0.608 116.268 115.700 -0.067 0.000 2.345 41 S HA -0.121 4.349 4.470 -0.000 0.000 0.219 41 S C 1.718 176.307 174.600 -0.018 0.000 1.031 41 S CA 0.535 58.706 58.200 -0.048 0.000 0.984 41 S CB -0.177 62.983 63.200 -0.068 0.000 0.874 41 S HN 0.327 nan 8.310 nan 0.000 0.451 42 L N 2.082 123.278 121.223 -0.044 0.000 2.021 42 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 42 L C 2.299 179.074 176.870 -0.159 0.000 1.074 42 L CA 1.994 56.765 54.840 -0.115 0.000 0.760 42 L CB -0.806 41.189 42.059 -0.107 0.000 0.889 42 L HN 0.198 nan 8.230 nan 0.000 0.433 43 Q N -1.610 118.141 119.800 -0.081 0.000 2.167 43 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 43 Q C 1.977 177.970 176.000 -0.013 0.000 0.970 43 Q CA 1.622 57.387 55.803 -0.064 0.000 0.855 43 Q CB -0.454 28.275 28.738 -0.015 0.000 0.911 43 Q HN 0.558 nan 8.270 nan 0.000 0.438 44 F N -0.320 119.544 119.950 -0.144 0.000 2.146 44 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 44 F C 1.625 177.325 175.800 -0.166 0.000 1.096 44 F CA 0.949 58.868 58.000 -0.135 0.000 1.275 44 F CB -0.582 38.338 39.000 -0.134 0.000 1.008 44 F HN 0.248 nan 8.300 nan 0.000 0.480 45 L N 0.476 121.613 121.223 -0.143 0.000 1.932 45 L HA -0.229 4.110 4.340 -0.000 0.000 0.217 45 L C 2.329 178.989 176.870 -0.349 0.000 1.077 45 L CA 1.944 56.589 54.840 -0.324 0.000 0.765 45 L CB -1.350 40.472 42.059 -0.394 0.000 0.888 45 L HN 0.212 nan 8.230 nan 0.000 0.433 46 L N -0.301 120.716 121.223 -0.343 0.000 2.123 46 L HA -0.342 3.998 4.340 -0.000 0.000 0.217 46 L C 2.166 178.940 176.870 -0.161 0.000 1.081 46 L CA 1.827 56.503 54.840 -0.273 0.000 0.772 46 L CB -0.806 41.082 42.059 -0.285 0.000 0.890 46 L HN 0.487 nan 8.230 nan 0.000 0.437 47 D N -1.839 118.460 120.400 -0.168 0.000 2.240 47 D HA -0.061 4.579 4.640 -0.000 0.000 0.206 47 D C 1.977 178.182 176.300 -0.158 0.000 0.963 47 D CA 1.773 55.696 54.000 -0.128 0.000 0.863 47 D CB 0.156 40.896 40.800 -0.101 0.000 0.973 47 D HN 0.425 nan 8.370 nan 0.000 0.501 48 T N -2.906 111.478 114.554 -0.282 0.000 3.043 48 T HA 0.142 4.491 4.350 -0.000 0.000 0.272 48 T C 0.634 175.264 174.700 -0.117 0.000 0.990 48 T CA -0.446 61.496 62.100 -0.263 0.000 0.897 48 T CB -0.578 67.981 68.868 -0.514 0.000 1.111 48 T HN -0.031 nan 8.240 nan 0.000 0.529 49 C N 3.784 123.033 119.300 -0.085 0.000 2.289 49 C HA 0.465 4.925 4.460 -0.000 0.000 0.340 49 C C 0.312 175.481 174.990 0.298 0.000 1.152 49 C CA -0.827 58.276 59.018 0.142 0.000 1.650 49 C CB -1.399 26.373 27.740 0.054 0.000 2.203 49 C HN 0.417 nan 8.230 nan 0.000 0.511 50 K N 4.959 125.564 120.400 0.342 0.000 2.267 50 K HA 0.473 4.793 4.320 -0.000 0.000 0.282 50 K C -0.691 176.058 176.600 0.249 0.000 1.078 50 K CA -0.208 56.159 56.287 0.133 0.000 0.903 50 K CB 1.073 33.427 32.500 -0.243 0.000 1.111 50 K HN 0.481 nan 8.250 nan 0.000 0.475 51 V N 4.648 124.700 119.914 0.229 0.000 2.495 51 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 51 V C -0.629 175.415 176.094 -0.083 0.000 1.031 51 V CA -1.089 61.248 62.300 0.062 0.000 0.871 51 V CB 1.531 33.295 31.823 -0.098 0.000 0.988 51 V HN 0.549 nan 8.190 nan 0.000 0.432 52 L N 6.425 127.388 121.223 -0.433 0.000 2.296 52 L HA 0.705 5.045 4.340 -0.000 0.000 0.286 52 L C -0.490 176.190 176.870 -0.317 0.000 1.023 52 L CA 0.151 54.586 54.840 -0.675 0.000 0.812 52 L CB 1.620 42.745 42.059 -1.556 0.000 1.223 52 L HN 0.442 nan 8.230 nan 0.000 0.421 53 V N 6.672 126.490 119.914 -0.160 0.000 2.427 53 V HA 0.446 4.566 4.120 -0.000 0.000 0.286 53 V C 0.190 176.255 176.094 -0.048 0.000 1.034 53 V CA -0.420 61.824 62.300 -0.094 0.000 0.893 53 V CB 1.539 33.330 31.823 -0.053 0.000 0.982 53 V HN 0.618 nan 8.190 nan 0.000 0.452 54 I N 4.418 124.964 120.570 -0.040 0.000 2.330 54 I HA 0.703 4.873 4.170 -0.000 0.000 0.289 54 I C 0.647 176.770 176.117 0.009 0.000 1.001 54 I CA -0.069 61.233 61.300 0.004 0.000 1.193 54 I CB 1.244 39.250 38.000 0.009 0.000 1.345 54 I HN 0.898 nan 8.210 nan 0.000 0.461 55 G N 4.695 113.514 108.800 0.033 0.000 2.719 55 G HA2 0.146 4.106 3.960 -0.000 0.000 0.686 55 G HA3 0.146 4.106 3.960 -0.000 0.000 0.686 55 G C -0.606 174.312 174.900 0.030 0.000 1.201 55 G CA -0.314 44.805 45.100 0.031 0.000 0.768 55 G HN 1.036 nan 8.290 nan 0.000 0.629 56 A N 0.759 123.612 122.820 0.056 0.000 3.365 56 A HA 0.823 5.143 4.320 -0.000 0.000 0.258 56 A C 0.626 178.261 177.584 0.085 0.000 0.964 56 A CA 0.808 52.882 52.037 0.061 0.000 0.988 56 A CB 0.295 19.383 19.000 0.147 0.000 1.193 56 A HN 2.437 nan 8.150 nan 0.000 0.508 57 G N -0.530 108.274 108.800 0.007 0.000 4.184 57 G HA2 0.593 4.553 3.960 -0.000 0.000 0.282 57 G HA3 0.593 4.553 3.960 -0.000 0.000 0.282 57 G C 0.538 175.399 174.900 -0.064 0.000 1.223 57 G CA 0.488 45.595 45.100 0.012 0.000 0.773 57 G HN 1.729 nan 8.290 nan 0.000 0.519 58 G N 0.595 109.297 108.800 -0.163 0.000 2.601 58 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.233 58 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.233 58 G C 1.271 176.094 174.900 -0.129 0.000 1.896 58 G CA 0.104 45.124 45.100 -0.133 0.000 1.514 58 G HN 0.553 nan 8.290 nan 0.000 0.512 59 L N 2.004 123.178 121.223 -0.082 0.000 2.017 59 L HA 0.081 4.420 4.340 -0.000 0.000 0.208 59 L C 3.224 180.036 176.870 -0.098 0.000 1.073 59 L CA 2.134 56.929 54.840 -0.076 0.000 0.745 59 L CB -0.953 41.071 42.059 -0.057 0.000 0.894 59 L HN 0.632 nan 8.230 nan 0.000 0.432 60 G N -0.438 108.304 108.800 -0.097 0.000 2.587 60 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 60 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 60 G C 1.642 176.444 174.900 -0.164 0.000 1.240 60 G CA 1.114 46.156 45.100 -0.096 0.000 0.794 60 G HN 0.422 nan 8.290 nan 0.000 0.580 61 C N 0.106 119.228 119.300 -0.296 0.000 2.376 61 C HA -0.089 4.371 4.460 -0.000 0.000 0.275 61 C C 2.752 177.508 174.990 -0.391 0.000 1.200 61 C CA 1.357 60.059 59.018 -0.527 0.000 1.756 61 C CB -0.998 26.136 27.740 -1.011 0.000 2.050 61 C HN 0.668 nan 8.230 nan 0.000 0.460 62 E N 0.615 120.661 120.200 -0.258 0.000 2.049 62 E HA -0.188 4.161 4.350 -0.000 0.000 0.198 62 E C 1.991 178.591 176.600 -0.000 0.000 1.007 62 E CA 1.355 57.760 56.400 0.008 0.000 0.809 62 E CB -0.463 29.247 29.700 0.018 0.000 0.749 62 E HN 0.589 nan 8.360 nan 0.000 0.450 63 L N -0.097 121.092 121.223 -0.057 0.000 2.043 63 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 63 L C 2.544 179.388 176.870 -0.043 0.000 1.075 63 L CA 1.084 55.887 54.840 -0.061 0.000 0.752 63 L CB -0.464 41.545 42.059 -0.083 0.000 0.891 63 L HN 0.249 nan 8.230 nan 0.000 0.432 64 L N -0.275 120.925 121.223 -0.039 0.000 1.989 64 L HA -0.280 4.060 4.340 -0.000 0.000 0.211 64 L C 2.769 179.672 176.870 0.055 0.000 1.071 64 L CA 1.573 56.414 54.840 0.001 0.000 0.749 64 L CB -0.548 41.504 42.059 -0.013 0.000 0.890 64 L HN 0.295 nan 8.230 nan 0.000 0.431 65 K N 0.251 120.695 120.400 0.074 0.000 1.978 65 K HA -0.228 4.091 4.320 -0.000 0.000 0.214 65 K C 1.959 178.622 176.600 0.105 0.000 1.049 65 K CA 1.961 58.326 56.287 0.131 0.000 0.939 65 K CB -0.141 32.481 32.500 0.205 0.000 0.721 65 K HN 0.269 nan 8.250 nan 0.000 0.441 66 N N 1.177 119.915 118.700 0.065 0.000 2.060 66 N HA -0.213 4.527 4.740 -0.000 0.000 0.195 66 N C 2.018 177.571 175.510 0.072 0.000 1.028 66 N CA 1.591 54.664 53.050 0.039 0.000 0.861 66 N CB -0.474 38.007 38.487 -0.010 0.000 1.029 66 N HN 0.252 nan 8.380 nan 0.000 0.428 67 L N 0.779 122.029 121.223 0.045 0.000 1.988 67 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 67 L C 2.574 179.626 176.870 0.304 0.000 1.071 67 L CA 1.279 56.163 54.840 0.074 0.000 0.744 67 L CB -0.729 41.231 42.059 -0.165 0.000 0.893 67 L HN 0.099 nan 8.230 nan 0.000 0.433 68 A N 0.104 123.071 122.820 0.246 0.000 1.958 68 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 68 A C 2.101 179.918 177.584 0.389 0.000 1.178 68 A CA 1.718 53.937 52.037 0.305 0.000 0.642 68 A CB -0.861 18.286 19.000 0.246 0.000 0.816 68 A HN 0.442 nan 8.150 nan 0.000 0.453 69 L N -0.632 120.784 121.223 0.322 0.000 2.612 69 L HA 0.096 4.436 4.340 -0.000 0.000 0.230 69 L C 1.276 178.395 176.870 0.415 0.000 1.140 69 L CA 0.269 55.323 54.840 0.358 0.000 0.896 69 L CB 0.160 42.334 42.059 0.191 0.000 1.065 69 L HN 0.238 nan 8.230 nan 0.000 0.447 70 S N -0.476 115.449 115.700 0.375 0.000 2.603 70 S HA 0.314 4.784 4.470 -0.000 0.000 0.232 70 S C 1.086 175.797 174.600 0.185 0.000 1.016 70 S CA 0.504 58.866 58.200 0.270 0.000 0.976 70 S CB 1.053 64.399 63.200 0.242 0.000 0.921 70 S HN 0.531 nan 8.310 nan 0.000 0.516 71 G N 1.372 110.164 108.800 -0.013 0.000 2.181 71 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.152 71 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.152 71 G C -0.385 174.212 174.900 -0.505 0.000 1.026 71 G CA -0.727 44.045 45.100 -0.546 0.000 0.699 71 G HN 0.333 nan 8.290 nan 0.000 0.497 72 F N -0.354 119.569 119.950 -0.044 0.000 2.495 72 F HA 0.743 5.270 4.527 -0.000 0.000 0.327 72 F C 1.294 177.115 175.800 0.036 0.000 1.103 72 F CA -1.098 56.905 58.000 0.005 0.000 0.949 72 F CB 1.705 40.740 39.000 0.059 0.000 1.142 72 F HN -0.091 nan 8.300 nan 0.000 0.457 73 R N -0.096 120.514 120.500 0.182 0.000 2.302 73 R HA 0.138 4.478 4.340 -0.000 0.000 0.187 73 R C -0.214 176.193 176.300 0.179 0.000 0.904 73 R CA 0.084 56.275 56.100 0.152 0.000 1.105 73 R CB 0.119 30.465 30.300 0.077 0.000 1.239 73 R HN 0.446 nan 8.270 nan 0.000 0.620 74 Q N 1.906 121.813 119.800 0.179 0.000 2.431 74 Q HA 0.323 4.662 4.340 -0.000 0.000 0.234 74 Q C -0.412 175.755 176.000 0.280 0.000 1.203 74 Q CA 0.566 56.494 55.803 0.207 0.000 0.902 74 Q CB 0.110 28.929 28.738 0.136 0.000 1.455 74 Q HN 0.289 nan 8.270 nan 0.000 0.515 75 I N 2.294 123.060 120.570 0.326 0.000 2.478 75 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 75 I C -0.127 176.249 176.117 0.432 0.000 1.042 75 I CA -0.549 60.938 61.300 0.312 0.000 1.067 75 I CB 1.676 39.789 38.000 0.188 0.000 1.233 75 I HN 0.427 nan 8.210 nan 0.000 0.431 76 H N 4.813 123.985 119.070 0.171 0.000 2.492 76 H HA 0.667 5.222 4.556 -0.000 0.000 0.345 76 H C -0.993 174.412 175.328 0.129 0.000 1.136 76 H CA -1.070 55.114 56.048 0.227 0.000 1.202 76 H CB 2.932 32.949 29.762 0.424 0.000 1.524 76 H HN 0.199 nan 8.280 nan 0.000 0.506 77 V N 4.612 124.692 119.914 0.277 0.000 2.604 77 V HA 0.354 4.473 4.120 -0.000 0.000 0.305 77 V C -0.076 176.165 176.094 0.245 0.000 1.043 77 V CA -0.631 61.776 62.300 0.179 0.000 0.888 77 V CB 2.085 33.980 31.823 0.120 0.000 0.995 77 V HN 0.573 nan 8.190 nan 0.000 0.429 78 I N 3.473 124.151 120.570 0.180 0.000 2.569 78 I HA 0.666 4.835 4.170 -0.000 0.000 0.296 78 I C -1.096 175.107 176.117 0.144 0.000 1.028 78 I CA -0.285 61.137 61.300 0.203 0.000 1.082 78 I CB 2.119 40.220 38.000 0.169 0.000 1.264 78 I HN 0.606 nan 8.210 nan 0.000 0.429 79 D N 5.827 126.316 120.400 0.148 0.000 2.687 79 D HA 0.165 4.804 4.640 -0.000 0.000 0.213 79 D C -0.214 176.137 176.300 0.085 0.000 1.218 79 D CA -0.413 53.648 54.000 0.101 0.000 0.768 79 D CB 1.566 42.436 40.800 0.116 0.000 1.855 79 D HN 0.645 nan 8.370 nan 0.000 0.508 80 M N 0.189 119.778 119.600 -0.018 0.000 2.502 80 M HA 0.292 4.772 4.480 -0.000 0.000 0.243 80 M C -0.176 176.109 176.300 -0.024 0.000 1.130 80 M CA 0.115 55.313 55.300 -0.170 0.000 1.055 80 M CB 0.313 32.786 32.600 -0.212 0.000 1.457 80 M HN -0.052 nan 8.290 nan 0.000 0.488 81 D N 2.196 122.631 120.400 0.057 0.000 2.358 81 D HA 0.245 4.884 4.640 -0.000 0.000 0.244 81 D C -0.387 175.985 176.300 0.119 0.000 1.163 81 D CA 0.316 54.358 54.000 0.070 0.000 0.945 81 D CB 1.403 42.222 40.800 0.031 0.000 1.152 81 D HN 0.023 nan 8.370 nan 0.000 0.451 82 T N 0.194 114.775 114.554 0.044 0.000 2.932 82 T HA 0.478 4.828 4.350 -0.000 0.000 0.289 82 T C 0.254 174.884 174.700 -0.116 0.000 1.039 82 T CA -0.633 61.449 62.100 -0.029 0.000 1.024 82 T CB 0.853 69.720 68.868 -0.002 0.000 1.090 82 T HN 0.127 nan 8.240 nan 0.000 0.496 83 I N 3.153 123.594 120.570 -0.216 0.000 2.471 83 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 83 I C 0.367 176.419 176.117 -0.109 0.000 1.079 83 I CA -0.082 61.073 61.300 -0.242 0.000 1.398 83 I CB 0.486 38.247 38.000 -0.398 0.000 1.403 83 I HN 0.497 nan 8.210 nan 0.000 0.530 84 D N 5.361 125.730 120.400 -0.052 0.000 2.252 84 D HA 0.101 4.740 4.640 -0.000 0.000 0.245 84 D C 0.689 176.995 176.300 0.010 0.000 1.009 84 D CA -0.562 53.427 54.000 -0.018 0.000 0.870 84 D CB 2.589 43.383 40.800 -0.009 0.000 1.251 84 D HN 0.318 nan 8.370 nan 0.000 0.460 85 V N 3.669 123.591 119.914 0.014 0.000 2.380 85 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 85 V C 2.140 178.258 176.094 0.041 0.000 1.063 85 V CA 3.278 65.596 62.300 0.030 0.000 1.055 85 V CB -0.570 31.269 31.823 0.026 0.000 0.657 85 V HN 0.714 nan 8.190 nan 0.000 0.455 86 S N -0.057 115.663 115.700 0.033 0.000 2.507 86 S HA -0.124 4.345 4.470 -0.000 0.000 0.235 86 S C 1.545 176.171 174.600 0.042 0.000 0.988 86 S CA 1.182 59.401 58.200 0.033 0.000 0.944 86 S CB -0.757 62.456 63.200 0.021 0.000 0.762 86 S HN 0.740 nan 8.310 nan 0.000 0.526 87 N N 1.984 120.721 118.700 0.062 0.000 2.459 87 N HA 0.130 4.870 4.740 -0.000 0.000 0.181 87 N C 1.447 177.012 175.510 0.091 0.000 1.046 87 N CA 0.732 53.835 53.050 0.089 0.000 0.904 87 N CB -0.540 38.049 38.487 0.169 0.000 0.964 87 N HN 0.474 nan 8.380 nan 0.000 0.444 88 L N 1.414 122.692 121.223 0.091 0.000 2.362 88 L HA -0.090 4.250 4.340 -0.000 0.000 0.219 88 L C 1.744 178.652 176.870 0.064 0.000 1.134 88 L CA 0.667 55.559 54.840 0.087 0.000 0.807 88 L CB -0.529 41.583 42.059 0.087 0.000 0.927 88 L HN 0.239 nan 8.230 nan 0.000 0.447 89 N N 1.196 119.927 118.700 0.052 0.000 2.521 89 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 89 N C 1.412 176.953 175.510 0.051 0.000 1.146 89 N CA 0.710 53.789 53.050 0.049 0.000 0.893 89 N CB 0.193 38.704 38.487 0.040 0.000 0.975 89 N HN 0.560 nan 8.380 nan 0.000 0.451 90 R N -1.161 119.364 120.500 0.042 0.000 3.062 90 R HA 0.153 4.493 4.340 -0.000 0.000 0.161 90 R C 0.122 176.413 176.300 -0.016 0.000 0.778 90 R CA -0.320 55.804 56.100 0.041 0.000 1.168 90 R CB -0.301 30.011 30.300 0.021 0.000 1.618 90 R HN -0.025 nan 8.270 nan 0.000 0.566 91 Q N 2.822 122.555 119.800 -0.111 0.000 2.962 91 Q HA 0.071 4.410 4.340 -0.000 0.000 0.251 91 Q C -0.038 175.642 176.000 -0.534 0.000 1.380 91 Q CA -0.156 55.408 55.803 -0.397 0.000 0.926 91 Q CB -0.201 28.369 28.738 -0.279 0.000 1.704 91 Q HN 0.430 nan 8.270 nan 0.000 0.563 92 F N -1.475 118.277 119.950 -0.331 0.000 2.529 92 F HA -0.133 4.394 4.527 -0.001 0.000 0.297 92 F C 0.687 176.179 175.800 -0.514 0.000 1.114 92 F CA 0.746 58.554 58.000 -0.320 0.000 1.467 92 F CB -0.316 38.537 39.000 -0.246 0.000 1.096 92 F HN 0.281 nan 8.300 nan 0.000 0.586 93 L N -0.640 119.977 121.223 -1.011 0.000 2.599 93 L HA 0.173 4.512 4.340 -0.000 0.000 0.230 93 L C -0.133 176.552 176.870 -0.309 0.000 1.141 93 L CA 0.040 54.295 54.840 -0.974 0.000 0.877 93 L CB -0.531 40.938 42.059 -0.982 0.000 1.009 93 L HN 0.090 nan 8.230 nan 0.000 0.447 94 F N -0.431 119.458 119.950 -0.102 0.000 2.508 94 F HA 0.588 5.114 4.527 -0.001 0.000 0.325 94 F C 0.460 176.294 175.800 0.057 0.000 1.090 94 F CA -1.335 56.669 58.000 0.007 0.000 0.945 94 F CB 1.387 40.370 39.000 -0.029 0.000 1.156 94 F HN -0.221 nan 8.300 nan 0.000 0.463 95 R N 1.622 122.291 120.500 0.282 0.000 2.892 95 R HA 0.377 4.717 4.340 -0.000 0.000 0.265 95 R C -2.074 174.302 176.300 0.125 0.000 1.025 95 R CA -2.474 53.735 56.100 0.182 0.000 0.982 95 R CB 1.040 31.441 30.300 0.169 0.000 1.185 95 R HN 0.215 nan 8.270 nan 0.000 0.484 96 P HA -0.257 nan 4.420 nan 0.000 0.218 96 P C 0.846 178.169 177.300 0.039 0.000 1.154 96 P CA 2.009 65.144 63.100 0.058 0.000 0.872 96 P CB 0.200 31.929 31.700 0.050 0.000 0.790 97 K N -0.908 119.517 120.400 0.042 0.000 2.280 97 K HA -0.145 4.175 4.320 -0.000 0.000 0.202 97 K C 1.174 177.780 176.600 0.010 0.000 1.047 97 K CA 1.662 57.964 56.287 0.024 0.000 0.942 97 K CB -0.727 31.790 32.500 0.028 0.000 0.739 97 K HN 0.133 nan 8.250 nan 0.000 0.457 98 D N 1.403 121.816 120.400 0.021 0.000 2.317 98 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 98 D C 0.806 177.058 176.300 -0.079 0.000 0.966 98 D CA 0.317 54.304 54.000 -0.022 0.000 0.876 98 D CB -0.066 40.739 40.800 0.007 0.000 0.927 98 D HN 0.262 nan 8.370 nan 0.000 0.519 99 I N 0.877 121.418 120.570 -0.049 0.000 2.906 99 I HA -0.123 4.047 4.170 -0.000 0.000 0.301 99 I C 1.769 177.839 176.117 -0.078 0.000 1.221 99 I CA 1.142 62.404 61.300 -0.064 0.000 1.435 99 I CB 0.245 38.229 38.000 -0.026 0.000 1.345 99 I HN 0.214 nan 8.210 nan 0.000 0.558 100 G N 5.379 114.118 108.800 -0.101 0.000 2.279 100 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.223 100 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.223 100 G C 0.467 175.287 174.900 -0.134 0.000 1.015 100 G CA -0.481 44.563 45.100 -0.094 0.000 0.621 100 G HN 0.566 nan 8.290 nan 0.000 0.506 101 R N 1.935 122.334 120.500 -0.168 0.000 2.615 101 R HA 0.434 4.773 4.340 -0.000 0.000 0.270 101 R C -2.269 173.864 176.300 -0.278 0.000 1.081 101 R CA -1.153 54.818 56.100 -0.214 0.000 1.154 101 R CB 0.429 30.617 30.300 -0.186 0.000 1.063 101 R HN 0.188 nan 8.270 nan 0.000 0.519 102 P HA 0.030 nan 4.420 nan 0.000 0.271 102 P C -0.497 176.663 177.300 -0.234 0.000 1.226 102 P CA 0.062 62.953 63.100 -0.348 0.000 0.765 102 P CB 0.893 32.131 31.700 -0.769 0.000 0.835 103 K N 2.923 123.210 120.400 -0.188 0.000 2.044 103 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 103 K C 2.113 178.730 176.600 0.028 0.000 1.049 103 K CA 2.227 58.369 56.287 -0.241 0.000 0.927 103 K CB -0.643 31.826 32.500 -0.052 0.000 0.713 103 K HN 0.493 nan 8.250 nan 0.000 0.443 104 A N 1.523 124.404 122.820 0.103 0.000 1.849 104 A HA -0.323 3.996 4.320 -0.000 0.000 0.217 104 A C 2.123 179.759 177.584 0.087 0.000 1.202 104 A CA 2.143 54.260 52.037 0.134 0.000 0.629 104 A CB -0.861 18.250 19.000 0.184 0.000 0.834 104 A HN 0.480 nan 8.150 nan 0.000 0.447 105 E N -0.582 119.631 120.200 0.022 0.000 2.065 105 E HA -0.202 4.148 4.350 -0.000 0.000 0.201 105 E C 1.927 178.547 176.600 0.033 0.000 1.016 105 E CA 2.036 58.429 56.400 -0.011 0.000 0.818 105 E CB -0.245 29.400 29.700 -0.092 0.000 0.749 105 E HN 0.306 nan 8.360 nan 0.000 0.453 106 V N 1.116 121.044 119.914 0.024 0.000 2.343 106 V HA -0.288 3.831 4.120 -0.000 0.000 0.247 106 V C 2.458 178.720 176.094 0.279 0.000 1.051 106 V CA 1.807 64.178 62.300 0.118 0.000 1.036 106 V CB -0.904 30.933 31.823 0.023 0.000 0.654 106 V HN 0.489 nan 8.190 nan 0.000 0.451 107 A N 0.014 123.037 122.820 0.338 0.000 1.908 107 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 107 A C 2.417 180.108 177.584 0.179 0.000 1.181 107 A CA 2.419 54.620 52.037 0.274 0.000 0.627 107 A CB -0.788 18.345 19.000 0.222 0.000 0.818 107 A HN 0.584 nan 8.150 nan 0.000 0.445 108 A N -0.609 122.296 122.820 0.143 0.000 1.841 108 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 108 A C 1.998 179.666 177.584 0.140 0.000 1.195 108 A CA 1.752 53.857 52.037 0.114 0.000 0.611 108 A CB -0.757 18.277 19.000 0.058 0.000 0.835 108 A HN 0.641 nan 8.150 nan 0.000 0.443 109 E N -1.001 119.275 120.200 0.126 0.000 2.068 109 E HA -0.293 4.056 4.350 -0.000 0.000 0.207 109 E C 1.827 178.526 176.600 0.165 0.000 1.032 109 E CA 1.998 58.467 56.400 0.114 0.000 0.839 109 E CB -0.369 29.389 29.700 0.096 0.000 0.758 109 E HN 0.610 nan 8.360 nan 0.000 0.457 110 F N 0.503 120.501 119.950 0.080 0.000 2.069 110 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 110 F C 2.287 178.137 175.800 0.083 0.000 1.113 110 F CA 1.441 59.492 58.000 0.085 0.000 1.214 110 F CB -0.156 38.903 39.000 0.099 0.000 0.978 110 F HN 0.075 nan 8.300 nan 0.000 0.474 111 L N 0.588 122.117 121.223 0.511 0.000 2.046 111 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 111 L C 2.140 179.153 176.870 0.239 0.000 1.077 111 L CA 1.395 56.462 54.840 0.378 0.000 0.747 111 L CB -0.676 41.526 42.059 0.238 0.000 0.896 111 L HN 0.159 nan 8.230 nan 0.000 0.432 112 N N -0.410 118.395 118.700 0.175 0.000 2.348 112 N HA -0.222 4.518 4.740 -0.000 0.000 0.185 112 N C 1.372 176.942 175.510 0.099 0.000 1.019 112 N CA 1.453 54.579 53.050 0.126 0.000 0.880 112 N CB -0.236 38.307 38.487 0.093 0.000 0.965 112 N HN 0.494 nan 8.380 nan 0.000 0.437 113 D N 0.670 121.110 120.400 0.067 0.000 2.197 113 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 113 D C 1.946 178.252 176.300 0.011 0.000 0.963 113 D CA 0.446 54.448 54.000 0.004 0.000 0.864 113 D CB 0.249 40.996 40.800 -0.087 0.000 1.009 113 D HN -0.030 nan 8.370 nan 0.000 0.479 114 R N 0.531 121.043 120.500 0.020 0.000 2.081 114 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 114 R C 0.277 176.665 176.300 0.147 0.000 1.131 114 R CA 0.948 57.096 56.100 0.080 0.000 0.960 114 R CB -0.389 30.069 30.300 0.263 0.000 0.856 114 R HN 0.022 nan 8.270 nan 0.000 0.436 115 V N 2.490 122.515 119.914 0.186 0.000 2.318 115 V HA 0.231 4.351 4.120 -0.000 0.000 0.271 115 V C -1.705 174.511 176.094 0.203 0.000 1.030 115 V CA -1.759 60.667 62.300 0.209 0.000 0.844 115 V CB 1.285 33.246 31.823 0.230 0.000 1.015 115 V HN 0.199 nan 8.190 nan 0.000 0.460 116 P HA -0.255 nan 4.420 nan 0.000 0.215 116 P C 0.844 178.255 177.300 0.185 0.000 0.896 116 P CA 1.722 64.961 63.100 0.233 0.000 1.030 116 P CB 0.077 32.007 31.700 0.384 0.000 0.731 117 N N -1.916 116.898 118.700 0.190 0.000 2.295 117 N HA 0.050 4.790 4.740 -0.000 0.000 0.221 117 N C 0.208 175.811 175.510 0.156 0.000 1.129 117 N CA -0.048 53.097 53.050 0.158 0.000 0.836 117 N CB -0.718 37.857 38.487 0.146 0.000 1.040 117 N HN 0.180 nan 8.380 nan 0.000 0.494 118 C N 1.041 120.445 119.300 0.173 0.000 2.745 118 C HA 0.118 4.577 4.460 -0.000 0.000 0.387 118 C C 1.120 176.189 174.990 0.132 0.000 1.312 118 C CA 0.081 59.201 59.018 0.169 0.000 2.204 118 C CB -0.259 27.593 27.740 0.186 0.000 2.686 118 C HN 0.519 nan 8.230 nan 0.000 0.705 119 N N 1.452 120.229 118.700 0.127 0.000 2.711 119 N HA 0.255 4.994 4.740 -0.000 0.000 0.263 119 N C -1.325 174.243 175.510 0.097 0.000 1.667 119 N CA -0.311 52.799 53.050 0.099 0.000 0.785 119 N CB 0.587 39.131 38.487 0.094 0.000 1.231 119 N HN 0.355 nan 8.380 nan 0.000 0.503 120 V N 1.640 121.607 119.914 0.089 0.000 2.405 120 V HA 0.236 4.355 4.120 -0.000 0.000 0.264 120 V C 0.361 176.445 176.094 -0.016 0.000 1.048 120 V CA -0.586 61.758 62.300 0.073 0.000 0.966 120 V CB 0.945 32.824 31.823 0.092 0.000 1.015 120 V HN 0.195 nan 8.190 nan 0.000 0.477 121 V N 9.325 129.163 119.914 -0.127 0.000 2.408 121 V HA 0.294 4.414 4.120 -0.000 0.000 0.267 121 V C -1.648 174.261 176.094 -0.309 0.000 1.047 121 V CA -1.312 60.784 62.300 -0.339 0.000 0.937 121 V CB 1.351 32.684 31.823 -0.818 0.000 0.999 121 V HN 0.742 nan 8.190 nan 0.000 0.472 122 P HA 0.370 nan 4.420 nan 0.000 0.282 122 P C -1.035 176.028 177.300 -0.395 0.000 1.259 122 P CA -0.422 62.575 63.100 -0.172 0.000 0.826 122 P CB 1.217 32.882 31.700 -0.059 0.000 1.064 123 H N 1.513 120.672 119.070 0.148 0.000 3.108 123 H HA 0.159 4.714 4.556 -0.001 0.000 0.301 123 H C -1.021 174.444 175.328 0.230 0.000 1.139 123 H CA -0.391 55.777 56.048 0.201 0.000 1.552 123 H CB 0.381 30.276 29.762 0.221 0.000 1.663 123 H HN 0.332 nan 8.280 nan 0.000 0.517 124 F N 4.522 124.549 119.950 0.129 0.000 2.659 124 F HA 0.219 4.746 4.527 -0.001 0.000 0.360 124 F C -0.499 175.336 175.800 0.058 0.000 1.218 124 F CA -0.374 57.665 58.000 0.065 0.000 1.317 124 F CB -0.445 38.562 39.000 0.013 0.000 1.697 124 F HN 0.328 nan 8.300 nan 0.000 0.637 125 N N 2.138 120.807 118.700 -0.053 0.000 2.697 125 N HA 0.332 5.072 4.740 -0.000 0.000 0.272 125 N C -1.391 174.057 175.510 -0.104 0.000 1.381 125 N CA -0.849 52.114 53.050 -0.146 0.000 0.797 125 N CB 2.093 40.573 38.487 -0.012 0.000 1.523 125 N HN 0.263 nan 8.380 nan 0.000 0.518 126 K N 0.359 120.666 120.400 -0.156 0.000 2.235 126 K HA 0.372 4.692 4.320 -0.000 0.000 0.266 126 K C 1.439 177.990 176.600 -0.082 0.000 0.980 126 K CA -0.598 55.606 56.287 -0.138 0.000 0.849 126 K CB 1.456 33.827 32.500 -0.216 0.000 1.098 126 K HN 0.650 nan 8.250 nan 0.000 0.445 127 I N -0.846 119.721 120.570 -0.005 0.000 2.285 127 I HA -0.432 3.737 4.170 -0.000 0.000 0.254 127 I C 1.086 177.132 176.117 -0.118 0.000 1.093 127 I CA 1.416 62.797 61.300 0.135 0.000 1.368 127 I CB -0.515 37.544 38.000 0.099 0.000 1.054 127 I HN 0.597 nan 8.210 nan 0.000 0.435 128 Q N 1.181 120.625 119.800 -0.593 0.000 2.437 128 Q HA -0.110 4.230 4.340 -0.000 0.000 0.210 128 Q C 1.574 177.444 176.000 -0.216 0.000 0.972 128 Q CA 1.319 56.660 55.803 -0.770 0.000 0.903 128 Q CB -0.341 27.940 28.738 -0.762 0.000 0.967 128 Q HN 0.621 nan 8.270 nan 0.000 0.486 129 D N -0.685 119.580 120.400 -0.225 0.000 2.269 129 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 129 D C -0.182 175.867 176.300 -0.418 0.000 0.963 129 D CA 0.618 54.397 54.000 -0.369 0.000 0.864 129 D CB 0.149 40.582 40.800 -0.611 0.000 0.936 129 D HN 0.160 nan 8.370 nan 0.000 0.505 130 F N 0.902 120.828 119.950 -0.039 0.000 2.408 130 F HA 0.281 4.808 4.527 -0.000 0.000 0.325 130 F C 0.992 176.963 175.800 0.285 0.000 1.082 130 F CA -1.139 56.826 58.000 -0.058 0.000 1.032 130 F CB 0.769 39.493 39.000 -0.461 0.000 1.259 130 F HN -0.213 nan 8.300 nan 0.000 0.503 131 N N -1.365 117.599 118.700 0.440 0.000 2.701 131 N HA 0.195 4.935 4.740 -0.000 0.000 0.290 131 N C 0.182 175.958 175.510 0.443 0.000 1.338 131 N CA -0.632 52.674 53.050 0.426 0.000 0.799 131 N CB 0.203 38.838 38.487 0.247 0.000 1.491 131 N HN 0.552 nan 8.380 nan 0.000 0.540 132 D N -0.704 119.892 120.400 0.326 0.000 2.170 132 D HA -0.272 4.367 4.640 -0.000 0.000 0.193 132 D C 0.898 177.323 176.300 0.208 0.000 1.004 132 D CA 2.212 56.366 54.000 0.257 0.000 0.860 132 D CB -1.179 39.703 40.800 0.137 0.000 0.931 132 D HN 0.605 nan 8.370 nan 0.000 0.448 133 T N -0.007 114.652 114.554 0.176 0.000 2.699 133 T HA -0.160 4.189 4.350 -0.000 0.000 0.268 133 T C 1.507 176.273 174.700 0.110 0.000 1.036 133 T CA 1.367 63.540 62.100 0.121 0.000 1.147 133 T CB -0.556 68.383 68.868 0.118 0.000 0.862 133 T HN 0.233 nan 8.240 nan 0.000 0.446 134 F N 0.806 120.755 119.950 -0.002 0.000 2.098 134 F HA 0.022 4.549 4.527 -0.000 0.000 0.294 134 F C 1.957 177.674 175.800 -0.139 0.000 1.107 134 F CA 0.728 58.646 58.000 -0.136 0.000 1.234 134 F CB -0.620 38.255 39.000 -0.208 0.000 1.002 134 F HN 0.160 nan 8.300 nan 0.000 0.472 135 Y N -0.014 120.319 120.300 0.056 0.000 2.352 135 Y HA -0.127 4.423 4.550 -0.001 0.000 0.292 135 Y C 2.608 178.501 175.900 -0.011 0.000 1.136 135 Y CA 1.267 59.378 58.100 0.018 0.000 1.227 135 Y CB -0.523 38.004 38.460 0.111 0.000 0.991 135 Y HN 0.007 nan 8.280 nan 0.000 0.545 136 R N 0.664 121.204 120.500 0.066 0.000 2.193 136 R HA -0.193 4.147 4.340 -0.000 0.000 0.229 136 R C 1.822 178.021 176.300 -0.167 0.000 1.110 136 R CA 1.148 57.238 56.100 -0.017 0.000 0.988 136 R CB -0.079 30.217 30.300 -0.008 0.000 0.871 136 R HN 0.487 nan 8.270 nan 0.000 0.458 137 Q N -0.636 118.937 119.800 -0.379 0.000 2.124 137 Q HA -0.112 4.227 4.340 -0.000 0.000 0.202 137 Q C -0.116 175.407 176.000 -0.794 0.000 0.977 137 Q CA 1.001 56.398 55.803 -0.676 0.000 0.850 137 Q CB -0.028 28.040 28.738 -1.116 0.000 0.901 137 Q HN 0.172 nan 8.270 nan 0.000 0.429 138 F N -0.579 119.119 119.950 -0.421 0.000 2.382 138 F HA 0.069 4.596 4.527 -0.000 0.000 0.331 138 F C 1.501 177.109 175.800 -0.320 0.000 1.121 138 F CA -0.395 57.353 58.000 -0.419 0.000 1.183 138 F CB 0.508 39.320 39.000 -0.313 0.000 1.207 138 F HN 0.007 nan 8.300 nan 0.000 0.555 139 H N 1.609 120.740 119.070 0.102 0.000 2.370 139 H HA 0.335 4.890 4.556 -0.000 0.000 0.304 139 H C 0.334 175.690 175.328 0.046 0.000 1.055 139 H CA 1.085 57.160 56.048 0.045 0.000 1.373 139 H CB 0.334 30.113 29.762 0.028 0.000 1.423 139 H HN 0.295 nan 8.280 nan 0.000 0.533 140 I N 0.946 121.617 120.570 0.169 0.000 2.647 140 I HA 0.304 4.474 4.170 -0.000 0.000 0.295 140 I C -0.770 175.325 176.117 -0.036 0.000 1.078 140 I CA -0.600 60.732 61.300 0.054 0.000 1.048 140 I CB 3.167 41.192 38.000 0.041 0.000 1.239 140 I HN -0.148 nan 8.210 nan 0.000 0.421 141 I N 5.611 126.135 120.570 -0.078 0.000 2.466 141 I HA 0.448 4.617 4.170 -0.000 0.000 0.289 141 I C -0.734 175.309 176.117 -0.124 0.000 1.026 141 I CA -0.860 60.351 61.300 -0.149 0.000 1.078 141 I CB 2.103 40.018 38.000 -0.142 0.000 1.249 141 I HN 0.154 nan 8.210 nan 0.000 0.429 142 V N 4.609 124.439 119.914 -0.140 0.000 2.581 142 V HA 0.487 4.606 4.120 -0.000 0.000 0.303 142 V C -0.405 175.632 176.094 -0.095 0.000 1.041 142 V CA -0.570 61.660 62.300 -0.116 0.000 0.907 142 V CB 1.836 33.580 31.823 -0.132 0.000 0.994 142 V HN 0.791 nan 8.190 nan 0.000 0.442 143 C N 2.702 121.957 119.300 -0.075 0.000 2.441 143 C HA 0.770 5.229 4.460 -0.000 0.000 0.318 143 C C 0.913 175.877 174.990 -0.044 0.000 1.222 143 C CA -0.490 58.498 59.018 -0.050 0.000 1.474 143 C CB 0.965 28.686 27.740 -0.031 0.000 2.125 143 C HN 1.125 nan 8.230 nan 0.000 0.479 144 G N 2.967 111.746 108.800 -0.035 0.000 4.757 144 G HA2 0.430 4.390 3.960 -0.000 0.000 0.303 144 G HA3 0.430 4.390 3.960 -0.000 0.000 0.303 144 G C 0.077 174.968 174.900 -0.016 0.000 1.318 144 G CA -0.083 44.997 45.100 -0.033 0.000 1.020 144 G HN 0.662 nan 8.290 nan 0.000 0.589 145 L N 0.125 121.344 121.223 -0.006 0.000 2.416 145 L HA 0.291 4.631 4.340 -0.000 0.000 0.212 145 L C 1.021 177.891 176.870 -0.000 0.000 1.200 145 L CA 0.039 54.879 54.840 0.000 0.000 0.841 145 L CB 0.551 42.615 42.059 0.008 0.000 1.299 145 L HN 0.395 nan 8.230 nan 0.000 0.538 146 D N -1.785 118.611 120.400 -0.008 0.000 2.783 146 D HA 0.116 4.756 4.640 -0.000 0.000 0.306 146 D C -0.613 175.669 176.300 -0.031 0.000 1.633 146 D CA -0.067 53.926 54.000 -0.012 0.000 0.796 146 D CB 0.102 40.894 40.800 -0.013 0.000 1.230 146 D HN 0.443 nan 8.370 nan 0.000 0.441 147 S N -1.311 114.362 115.700 -0.045 0.000 2.567 147 S HA 0.476 4.946 4.470 -0.000 0.000 0.270 147 S C 0.580 175.110 174.600 -0.117 0.000 1.152 147 S CA -0.842 57.309 58.200 -0.081 0.000 0.835 147 S CB 0.682 63.840 63.200 -0.070 0.000 1.115 147 S HN -0.067 nan 8.310 nan 0.000 0.459 148 I N 1.277 121.722 120.570 -0.207 0.000 2.286 148 I HA -0.060 4.110 4.170 -0.000 0.000 0.245 148 I C 2.097 178.144 176.117 -0.117 0.000 1.104 148 I CA 0.912 62.038 61.300 -0.290 0.000 1.397 148 I CB -0.409 37.286 38.000 -0.509 0.000 1.072 148 I HN 0.656 nan 8.210 nan 0.000 0.417 149 I N 1.301 121.824 120.570 -0.078 0.000 2.248 149 I HA -0.327 3.843 4.170 -0.000 0.000 0.248 149 I C 2.773 178.922 176.117 0.053 0.000 1.107 149 I CA 1.548 62.845 61.300 -0.006 0.000 1.373 149 I CB -0.667 37.325 38.000 -0.013 0.000 1.055 149 I HN 0.216 nan 8.210 nan 0.000 0.418 150 A N 0.832 123.664 122.820 0.019 0.000 1.968 150 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 150 A C 2.420 180.072 177.584 0.113 0.000 1.169 150 A CA 0.999 53.069 52.037 0.056 0.000 0.638 150 A CB -0.416 18.579 19.000 -0.008 0.000 0.812 150 A HN 0.315 nan 8.150 nan 0.000 0.446 151 R N -0.602 119.939 120.500 0.068 0.000 2.092 151 R HA -0.037 4.302 4.340 -0.000 0.000 0.231 151 R C 2.391 178.749 176.300 0.097 0.000 1.119 151 R CA 1.318 57.467 56.100 0.081 0.000 0.970 151 R CB -0.251 30.104 30.300 0.092 0.000 0.864 151 R HN 0.466 nan 8.270 nan 0.000 0.440 152 R N -0.630 119.929 120.500 0.098 0.000 2.081 152 R HA -0.175 4.164 4.340 -0.000 0.000 0.235 152 R C 1.916 178.277 176.300 0.101 0.000 1.131 152 R CA 1.566 57.718 56.100 0.088 0.000 0.960 152 R CB -0.279 30.066 30.300 0.076 0.000 0.856 152 R HN 0.331 nan 8.270 nan 0.000 0.436 153 W N 0.937 122.220 121.300 -0.029 0.000 2.381 153 W HA -0.150 4.510 4.660 -0.000 0.000 0.301 153 W C 1.902 178.379 176.519 -0.070 0.000 1.205 153 W CA 0.925 58.248 57.345 -0.036 0.000 1.285 153 W CB -0.151 29.292 29.460 -0.028 0.000 1.133 153 W HN -0.012 nan 8.180 nan 0.000 0.521 154 I N 1.340 122.094 120.570 0.306 0.000 2.394 154 I HA -0.242 3.927 4.170 -0.000 0.000 0.251 154 I C 2.093 178.140 176.117 -0.116 0.000 1.136 154 I CA 2.062 63.413 61.300 0.086 0.000 1.425 154 I CB -0.978 37.064 38.000 0.070 0.000 1.079 154 I HN 0.079 nan 8.210 nan 0.000 0.425 155 N N 0.599 119.264 118.700 -0.058 0.000 2.043 155 N HA -0.153 4.587 4.740 -0.000 0.000 0.193 155 N C 2.078 177.503 175.510 -0.141 0.000 1.037 155 N CA 2.080 55.086 53.050 -0.072 0.000 0.851 155 N CB -0.869 37.608 38.487 -0.017 0.000 1.027 155 N HN 0.394 nan 8.380 nan 0.000 0.422 156 G N 0.499 109.179 108.800 -0.200 0.000 2.491 156 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.218 156 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.218 156 G C 1.498 176.205 174.900 -0.321 0.000 1.180 156 G CA 1.414 46.356 45.100 -0.264 0.000 0.774 156 G HN 0.404 nan 8.290 nan 0.000 0.562 157 M N 0.633 119.932 119.600 -0.500 0.000 2.163 157 M HA -0.071 4.409 4.480 -0.000 0.000 0.258 157 M C 2.458 178.618 176.300 -0.234 0.000 1.071 157 M CA 1.565 56.600 55.300 -0.442 0.000 1.093 157 M CB -0.705 31.540 32.600 -0.591 0.000 1.285 157 M HN 0.186 nan 8.290 nan 0.000 0.420 158 L N -0.785 120.313 121.223 -0.208 0.000 2.187 158 L HA -0.221 4.118 4.340 -0.000 0.000 0.213 158 L C 2.369 179.194 176.870 -0.075 0.000 1.100 158 L CA 1.209 55.980 54.840 -0.116 0.000 0.765 158 L CB -0.878 41.119 42.059 -0.103 0.000 0.904 158 L HN 0.434 nan 8.230 nan 0.000 0.437 159 I N -0.983 119.538 120.570 -0.081 0.000 2.617 159 I HA -0.192 3.977 4.170 -0.000 0.000 0.256 159 I C 2.667 178.770 176.117 -0.023 0.000 1.167 159 I CA 0.820 62.099 61.300 -0.036 0.000 1.469 159 I CB -0.088 37.894 38.000 -0.030 0.000 1.098 159 I HN 0.181 nan 8.210 nan 0.000 0.436 160 S N 1.003 116.667 115.700 -0.060 0.000 2.474 160 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 160 S C 1.729 176.322 174.600 -0.012 0.000 0.997 160 S CA 0.810 58.985 58.200 -0.041 0.000 0.949 160 S CB -0.172 62.977 63.200 -0.085 0.000 0.766 160 S HN 0.442 nan 8.310 nan 0.000 0.517 161 L N 1.053 122.266 121.223 -0.017 0.000 2.592 161 L HA 0.368 4.708 4.340 -0.000 0.000 0.227 161 L C 0.107 176.963 176.870 -0.023 0.000 1.127 161 L CA -0.160 54.676 54.840 -0.006 0.000 0.884 161 L CB -0.206 41.853 42.059 0.001 0.000 1.065 161 L HN 0.207 nan 8.230 nan 0.000 0.457 162 L N 1.810 123.017 121.223 -0.026 0.000 2.433 162 L HA 0.067 4.407 4.340 -0.000 0.000 0.275 162 L C 0.142 176.957 176.870 -0.092 0.000 1.128 162 L CA -0.020 54.766 54.840 -0.089 0.000 0.875 162 L CB 0.164 42.192 42.059 -0.051 0.000 1.171 162 L HN 0.164 nan 8.230 nan 0.000 0.463 163 N N 3.377 121.975 118.700 -0.171 0.000 2.437 163 N HA 0.198 4.938 4.740 -0.000 0.000 0.259 163 N C -1.388 173.996 175.510 -0.210 0.000 0.983 163 N CA -0.257 52.730 53.050 -0.105 0.000 0.937 163 N CB 0.580 39.029 38.487 -0.064 0.000 1.122 163 N HN 0.227 nan 8.380 nan 0.000 0.499 164 Y N 1.602 121.901 120.300 -0.002 0.000 2.417 164 Y HA 0.235 4.785 4.550 -0.000 0.000 0.336 164 Y C -0.024 175.876 175.900 -0.000 0.000 0.961 164 Y CA -0.664 57.435 58.100 -0.001 0.000 1.215 164 Y CB 1.004 39.462 38.460 -0.003 0.000 1.120 164 Y HN 0.448 nan 8.280 nan 0.000 0.499 165 E N 4.281 124.547 120.200 0.109 0.000 1.893 165 E HA 0.076 4.426 4.350 -0.000 0.000 0.269 165 E C -1.022 175.630 176.600 0.087 0.000 1.129 165 E CA -0.362 56.082 56.400 0.073 0.000 0.904 165 E CB 0.111 29.831 29.700 0.033 0.000 1.077 165 E HN 0.542 nan 8.360 nan 0.000 0.407 166 D N 2.841 123.293 120.400 0.085 0.000 3.278 166 D HA -0.188 4.452 4.640 -0.000 0.000 0.233 166 D C 1.116 177.463 176.300 0.078 0.000 1.149 166 D CA 1.263 55.301 54.000 0.063 0.000 0.957 166 D CB -1.002 39.823 40.800 0.041 0.000 0.913 166 D HN 0.945 nan 8.370 nan 0.000 0.409 167 G N -0.641 108.210 108.800 0.085 0.000 2.343 167 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.264 167 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.264 167 G C 0.583 175.600 174.900 0.194 0.000 0.989 167 G CA 0.667 45.812 45.100 0.075 0.000 0.627 167 G HN 0.684 nan 8.290 nan 0.000 0.549 168 V N 1.777 121.805 119.914 0.190 0.000 2.383 168 V HA 0.575 4.695 4.120 -0.000 0.000 0.275 168 V C 0.469 176.643 176.094 0.133 0.000 1.036 168 V CA -0.720 61.673 62.300 0.156 0.000 0.889 168 V CB 1.487 33.354 31.823 0.073 0.000 0.985 168 V HN 0.450 nan 8.190 nan 0.000 0.459 169 L N 5.182 126.436 121.223 0.051 0.000 2.367 169 L HA 0.357 4.696 4.340 -0.000 0.000 0.275 169 L C 0.186 176.936 176.870 -0.200 0.000 1.129 169 L CA 0.200 54.849 54.840 -0.318 0.000 0.839 169 L CB 0.839 42.691 42.059 -0.346 0.000 1.133 169 L HN 0.682 nan 8.230 nan 0.000 0.453 170 D N 7.362 127.618 120.400 -0.241 0.000 2.352 170 D HA 0.185 4.825 4.640 -0.000 0.000 0.245 170 D C -1.633 174.594 176.300 -0.121 0.000 1.224 170 D CA -2.082 51.838 54.000 -0.134 0.000 0.879 170 D CB 1.222 41.956 40.800 -0.111 0.000 1.057 170 D HN 0.419 nan 8.370 nan 0.000 0.491 171 P HA -0.206 nan 4.420 nan 0.000 0.220 171 P C 1.096 178.372 177.300 -0.040 0.000 1.144 171 P CA 0.913 63.982 63.100 -0.053 0.000 0.800 171 P CB 0.116 31.800 31.700 -0.026 0.000 0.772 172 S N -0.061 115.617 115.700 -0.037 0.000 2.453 172 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 172 S C 2.059 176.645 174.600 -0.023 0.000 1.005 172 S CA 1.127 59.316 58.200 -0.019 0.000 0.949 172 S CB -1.287 61.905 63.200 -0.014 0.000 0.774 172 S HN 0.324 nan 8.310 nan 0.000 0.510 173 S N 1.138 116.808 115.700 -0.051 0.000 2.527 173 S HA 0.269 4.738 4.470 -0.000 0.000 0.222 173 S C 0.659 175.231 174.600 -0.047 0.000 0.985 173 S CA -0.435 57.733 58.200 -0.052 0.000 0.921 173 S CB -0.843 62.307 63.200 -0.084 0.000 0.772 173 S HN 0.563 nan 8.310 nan 0.000 0.529 174 I N 3.114 123.654 120.570 -0.050 0.000 2.517 174 I HA 0.136 4.305 4.170 -0.000 0.000 0.285 174 I C -0.751 175.360 176.117 -0.011 0.000 1.106 174 I CA -0.348 60.929 61.300 -0.038 0.000 1.402 174 I CB 0.746 38.723 38.000 -0.038 0.000 1.399 174 I HN 0.032 nan 8.210 nan 0.000 0.535 175 V N 8.400 128.309 119.914 -0.009 0.000 2.334 175 V HA 0.280 4.400 4.120 -0.000 0.000 0.281 175 V C -2.210 173.880 176.094 -0.007 0.000 1.016 175 V CA -2.016 60.289 62.300 0.008 0.000 0.832 175 V CB 1.013 32.846 31.823 0.017 0.000 0.999 175 V HN 0.575 nan 8.190 nan 0.000 0.439 176 P HA 0.158 nan 4.420 nan 0.000 0.265 176 P C -0.804 176.477 177.300 -0.032 0.000 1.193 176 P CA -0.119 62.969 63.100 -0.019 0.000 0.765 176 P CB 0.556 32.247 31.700 -0.015 0.000 0.823 177 L N 5.328 126.526 121.223 -0.043 0.000 2.345 177 L HA 0.478 4.818 4.340 -0.000 0.000 0.274 177 L C -1.270 175.564 176.870 -0.061 0.000 0.999 177 L CA -0.580 54.227 54.840 -0.055 0.000 0.849 177 L CB 0.521 42.549 42.059 -0.052 0.000 1.220 177 L HN 0.110 nan 8.230 nan 0.000 0.422 178 I N 4.110 124.636 120.570 -0.073 0.000 2.385 178 I HA 0.424 4.594 4.170 -0.000 0.000 0.294 178 I C -0.282 175.784 176.117 -0.085 0.000 0.988 178 I CA 0.005 61.253 61.300 -0.086 0.000 1.265 178 I CB 1.531 39.474 38.000 -0.094 0.000 1.388 178 I HN 0.645 nan 8.210 nan 0.000 0.480 179 D N 4.114 124.458 120.400 -0.093 0.000 2.593 179 D HA 0.661 5.300 4.640 -0.000 0.000 0.251 179 D C -0.343 175.892 176.300 -0.108 0.000 1.140 179 D CA -0.407 53.545 54.000 -0.080 0.000 0.855 179 D CB 1.327 42.099 40.800 -0.046 0.000 1.267 179 D HN 0.680 nan 8.370 nan 0.000 0.532 180 G N 1.491 110.241 108.800 -0.084 0.000 2.417 180 G HA2 0.693 4.652 3.960 -0.000 0.000 0.334 180 G HA3 0.693 4.652 3.960 -0.000 0.000 0.334 180 G C -0.405 174.469 174.900 -0.044 0.000 1.150 180 G CA -0.702 44.345 45.100 -0.089 0.000 0.923 180 G HN 0.599 nan 8.290 nan 0.000 0.485 181 G N -1.301 107.479 108.800 -0.034 0.000 2.733 181 G HA2 0.607 4.566 3.960 -0.000 0.000 0.297 181 G HA3 0.607 4.566 3.960 -0.000 0.000 0.297 181 G C -1.398 173.519 174.900 0.028 0.000 1.422 181 G CA -0.324 44.789 45.100 0.021 0.000 0.942 181 G HN 0.764 nan 8.290 nan 0.000 0.510 182 T N 0.281 114.863 114.554 0.046 0.000 3.097 182 T HA 0.597 4.946 4.350 -0.000 0.000 0.332 182 T C -1.634 173.097 174.700 0.052 0.000 1.269 182 T CA -0.469 61.665 62.100 0.056 0.000 1.076 182 T CB 1.730 70.620 68.868 0.037 0.000 1.209 182 T HN 0.513 nan 8.240 nan 0.000 0.474 183 E N 2.027 122.263 120.200 0.061 0.000 2.278 183 E HA 0.515 4.864 4.350 -0.000 0.000 0.272 183 E C 0.637 177.231 176.600 -0.010 0.000 0.890 183 E CA -0.514 55.901 56.400 0.025 0.000 0.770 183 E CB 1.808 31.533 29.700 0.042 0.000 1.212 183 E HN 0.996 nan 8.360 nan 0.000 0.415 184 G N 2.572 111.310 108.800 -0.102 0.000 2.685 184 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.329 184 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.329 184 G C 0.356 175.091 174.900 -0.275 0.000 1.271 184 G CA 0.826 45.753 45.100 -0.289 0.000 1.003 184 G HN 0.597 nan 8.290 nan 0.000 0.549 185 F N 2.205 122.198 119.950 0.073 0.000 2.660 185 F HA 0.382 4.909 4.527 -0.001 0.000 0.302 185 F C 1.425 177.292 175.800 0.111 0.000 1.103 185 F CA 0.134 58.191 58.000 0.094 0.000 1.340 185 F CB 0.372 39.398 39.000 0.043 0.000 1.048 185 F HN 0.016 nan 8.300 nan 0.000 0.551 186 K N 0.047 120.590 120.400 0.237 0.000 2.166 186 K HA 0.790 5.110 4.320 -0.000 0.000 0.245 186 K C -0.031 176.721 176.600 0.253 0.000 0.967 186 K CA -0.726 55.696 56.287 0.224 0.000 0.863 186 K CB 2.015 34.606 32.500 0.152 0.000 1.107 186 K HN 0.117 nan 8.250 nan 0.000 0.436 187 G N 0.774 109.741 108.800 0.278 0.000 2.547 187 G HA2 0.308 4.268 3.960 -0.000 0.000 0.291 187 G HA3 0.308 4.268 3.960 -0.000 0.000 0.291 187 G C -2.039 172.942 174.900 0.136 0.000 1.471 187 G CA -0.761 44.454 45.100 0.191 0.000 0.798 187 G HN 0.709 nan 8.290 nan 0.000 0.504 188 N N -0.863 117.838 118.700 0.001 0.000 2.484 188 N HA 0.738 5.477 4.740 -0.000 0.000 0.269 188 N C -0.956 174.381 175.510 -0.287 0.000 1.237 188 N CA -0.361 52.589 53.050 -0.168 0.000 0.838 188 N CB 2.170 40.511 38.487 -0.244 0.000 1.593 188 N HN 1.259 nan 8.380 nan 0.000 0.485 189 A N -0.016 122.541 122.820 -0.438 0.000 2.454 189 A HA 0.962 5.282 4.320 -0.000 0.000 0.302 189 A C -1.288 175.982 177.584 -0.524 0.000 1.079 189 A CA -0.382 51.435 52.037 -0.368 0.000 0.731 189 A CB 1.712 20.557 19.000 -0.259 0.000 1.299 189 A HN 1.166 nan 8.150 nan 0.000 0.413 190 A N 0.192 122.800 122.820 -0.353 0.000 2.594 190 A HA 0.685 5.004 4.320 -0.000 0.000 0.295 190 A C -1.544 175.945 177.584 -0.160 0.000 1.071 190 A CA -0.412 51.456 52.037 -0.281 0.000 0.685 190 A CB 1.472 20.339 19.000 -0.222 0.000 1.285 190 A HN 1.431 nan 8.150 nan 0.000 0.405 191 V N 2.955 122.797 119.914 -0.119 0.000 2.326 191 V HA 0.360 4.479 4.120 -0.000 0.000 0.281 191 V C -0.492 175.567 176.094 -0.058 0.000 1.015 191 V CA -0.055 62.192 62.300 -0.087 0.000 0.823 191 V CB 0.795 32.566 31.823 -0.086 0.000 1.009 191 V HN 0.675 nan 8.190 nan 0.000 0.436 192 I N 5.918 126.460 120.570 -0.047 0.000 2.321 192 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 192 I C -0.375 175.726 176.117 -0.027 0.000 0.998 192 I CA -0.390 60.893 61.300 -0.028 0.000 1.227 192 I CB 1.537 39.525 38.000 -0.019 0.000 1.368 192 I HN 0.386 nan 8.210 nan 0.000 0.466 193 L N 8.698 129.909 121.223 -0.019 0.000 2.360 193 L HA 0.371 4.710 4.340 -0.000 0.000 0.265 193 L C -2.290 174.575 176.870 -0.009 0.000 1.066 193 L CA -1.790 53.039 54.840 -0.017 0.000 0.929 193 L CB 0.523 42.574 42.059 -0.015 0.000 1.306 193 L HN 0.264 nan 8.230 nan 0.000 0.434 194 P HA -0.059 nan 4.420 nan 0.000 0.261 194 P C 0.962 178.264 177.300 0.004 0.000 1.165 194 P CA 1.181 64.277 63.100 -0.006 0.000 0.759 194 P CB 0.760 32.448 31.700 -0.020 0.000 0.772 195 G N 2.085 110.906 108.800 0.036 0.000 2.490 195 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.214 195 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.214 195 G C 0.739 175.677 174.900 0.064 0.000 1.151 195 G CA 0.520 45.662 45.100 0.070 0.000 0.684 195 G HN 0.460 nan 8.290 nan 0.000 0.518 196 M N -0.106 119.513 119.600 0.033 0.000 2.562 196 M HA 0.309 4.789 4.480 -0.000 0.000 0.194 196 M C 1.462 177.777 176.300 0.025 0.000 1.354 196 M CA 0.970 56.288 55.300 0.030 0.000 1.305 196 M CB -0.483 32.129 32.600 0.020 0.000 0.985 196 M HN 0.122 nan 8.290 nan 0.000 0.488 197 T N 1.861 116.424 114.554 0.015 0.000 2.854 197 T HA 0.164 4.514 4.350 -0.000 0.000 0.336 197 T C -0.047 174.663 174.700 0.016 0.000 1.095 197 T CA -0.090 62.016 62.100 0.011 0.000 1.118 197 T CB 0.306 69.172 68.868 -0.002 0.000 1.025 197 T HN 0.420 nan 8.240 nan 0.000 0.549 198 A N 1.379 124.210 122.820 0.020 0.000 2.511 198 A HA 0.366 4.686 4.320 -0.000 0.000 0.242 198 A C 1.059 178.657 177.584 0.024 0.000 1.069 198 A CA -0.573 51.479 52.037 0.026 0.000 0.763 198 A CB -0.559 18.461 19.000 0.033 0.000 1.001 198 A HN 1.116 nan 8.150 nan 0.000 0.498 199 C N 2.213 121.528 119.300 0.026 0.000 2.464 199 C HA 0.627 5.087 4.460 -0.000 0.000 0.398 199 C C 1.812 176.829 174.990 0.044 0.000 1.451 199 C CA -0.738 58.296 59.018 0.026 0.000 1.986 199 C CB -0.117 27.633 27.740 0.016 0.000 2.004 199 C HN 0.756 nan 8.230 nan 0.000 0.530 200 I N 0.737 121.338 120.570 0.053 0.000 2.163 200 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 200 I C 2.590 178.768 176.117 0.102 0.000 1.085 200 I CA 1.976 63.333 61.300 0.094 0.000 1.347 200 I CB -1.482 36.582 38.000 0.107 0.000 1.044 200 I HN 0.843 nan 8.210 nan 0.000 0.408 201 E N 0.292 120.535 120.200 0.071 0.000 2.110 201 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 201 E C 2.416 179.049 176.600 0.056 0.000 0.988 201 E CA 1.162 57.601 56.400 0.064 0.000 0.804 201 E CB -0.223 29.500 29.700 0.037 0.000 0.745 201 E HN 0.430 nan 8.360 nan 0.000 0.458 202 C N -0.282 119.045 119.300 0.044 0.000 2.413 202 C HA -0.133 4.326 4.460 -0.000 0.000 0.277 202 C C 2.407 177.420 174.990 0.038 0.000 1.228 202 C CA 1.811 60.851 59.018 0.036 0.000 1.731 202 C CB -1.149 26.611 27.740 0.032 0.000 2.042 202 C HN 0.629 nan 8.230 nan 0.000 0.468 203 T N -1.326 113.254 114.554 0.043 0.000 3.244 203 T HA 0.152 4.502 4.350 -0.000 0.000 0.254 203 T C 1.149 175.865 174.700 0.027 0.000 1.024 203 T CA -0.024 62.087 62.100 0.019 0.000 0.920 203 T CB -0.311 68.557 68.868 -0.000 0.000 1.042 203 T HN 0.255 nan 8.240 nan 0.000 0.572 204 L N 2.046 123.323 121.223 0.090 0.000 2.043 204 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 204 L C 2.129 179.111 176.870 0.186 0.000 1.075 204 L CA 1.877 56.827 54.840 0.184 0.000 0.752 204 L CB -0.562 41.587 42.059 0.150 0.000 0.891 204 L HN 0.384 nan 8.230 nan 0.000 0.432 205 E N -0.806 119.449 120.200 0.091 0.000 2.516 205 E HA -0.105 4.245 4.350 -0.000 0.000 0.199 205 E C 1.864 178.486 176.600 0.038 0.000 1.069 205 E CA 0.181 56.627 56.400 0.076 0.000 0.876 205 E CB -0.168 29.559 29.700 0.045 0.000 0.843 205 E HN 0.536 nan 8.360 nan 0.000 0.530 206 L N 0.561 121.760 121.223 -0.039 0.000 2.610 206 L HA 0.027 4.367 4.340 -0.000 0.000 0.232 206 L C 0.245 177.042 176.870 -0.123 0.000 1.149 206 L CA 0.085 54.865 54.840 -0.100 0.000 0.872 206 L CB -0.182 41.773 42.059 -0.173 0.000 0.992 206 L HN 0.130 nan 8.230 nan 0.000 0.447 207 Y N 0.329 120.664 120.300 0.059 0.000 2.301 207 Y HA 0.229 4.778 4.550 -0.001 0.000 0.328 207 Y C -1.454 174.470 175.900 0.040 0.000 1.242 207 Y CA -2.214 55.921 58.100 0.057 0.000 1.323 207 Y CB 0.113 38.601 38.460 0.047 0.000 1.266 207 Y HN -0.051 nan 8.280 nan 0.000 0.527 208 P HA 0.078 nan 4.420 nan 0.000 0.273 208 P C -2.556 174.801 177.300 0.095 0.000 1.250 208 P CA -1.022 62.150 63.100 0.119 0.000 0.793 208 P CB -0.146 31.614 31.700 0.100 0.000 1.011 209 P HA 0.107 nan 4.420 nan 0.000 0.281 209 P C -0.835 176.465 177.300 -0.000 0.000 1.252 209 P CA -0.368 62.748 63.100 0.026 0.000 0.778 209 P CB 0.621 32.329 31.700 0.014 0.000 0.895 210 Q N 1.664 121.454 119.800 -0.017 0.000 2.293 210 Q HA 0.280 4.620 4.340 -0.000 0.000 0.263 210 Q C -0.376 175.572 176.000 -0.086 0.000 1.002 210 Q CA -0.808 54.965 55.803 -0.049 0.000 0.910 210 Q CB 0.272 28.978 28.738 -0.053 0.000 1.185 210 Q HN 0.186 nan 8.270 nan 0.000 0.401 211 V N 3.782 123.621 119.914 -0.125 0.000 2.450 211 V HA 0.032 4.152 4.120 -0.000 0.000 0.281 211 V C -0.387 175.499 176.094 -0.347 0.000 1.019 211 V CA -0.112 62.060 62.300 -0.213 0.000 1.062 211 V CB -0.491 31.192 31.823 -0.232 0.000 0.979 211 V HN 0.741 nan 8.190 nan 0.000 0.477 212 N N 4.213 122.728 118.700 -0.308 0.000 2.448 212 N HA 0.519 5.259 4.740 -0.000 0.000 0.279 212 N C -0.779 174.595 175.510 -0.226 0.000 1.025 212 N CA -0.465 52.405 53.050 -0.300 0.000 0.898 212 N CB 1.260 39.672 38.487 -0.126 0.000 1.303 212 N HN 0.481 nan 8.380 nan 0.000 0.495 213 F N 2.717 122.675 119.950 0.013 0.000 2.543 213 F HA 0.217 4.744 4.527 -0.000 0.000 0.375 213 F C -1.190 174.583 175.800 -0.045 0.000 1.075 213 F CA -1.368 56.620 58.000 -0.021 0.000 1.225 213 F CB 0.135 39.117 39.000 -0.031 0.000 1.099 213 F HN 0.236 nan 8.300 nan 0.000 0.561 214 P HA -0.029 nan 4.420 nan 0.000 0.271 214 P C 0.535 177.853 177.300 0.030 0.000 1.216 214 P CA -0.337 62.792 63.100 0.049 0.000 0.771 214 P CB 1.049 32.764 31.700 0.025 0.000 0.864 215 M N 4.829 124.450 119.600 0.035 0.000 2.089 215 M HA -0.218 4.262 4.480 -0.000 0.000 0.257 215 M C 1.958 178.265 176.300 0.012 0.000 1.071 215 M CA 2.468 57.786 55.300 0.031 0.000 1.096 215 M CB -1.578 31.043 32.600 0.034 0.000 1.330 215 M HN 0.474 nan 8.290 nan 0.000 0.403 216 A N -1.191 121.631 122.820 0.004 0.000 1.948 216 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 216 A C 2.330 179.891 177.584 -0.039 0.000 1.177 216 A CA 2.727 54.762 52.037 -0.004 0.000 0.636 216 A CB -1.675 17.325 19.000 -0.001 0.000 0.815 216 A HN 0.743 nan 8.150 nan 0.000 0.449 217 T N -2.445 112.060 114.554 -0.082 0.000 3.014 217 T HA 0.099 4.448 4.350 -0.000 0.000 0.263 217 T C 1.766 176.318 174.700 -0.247 0.000 1.078 217 T CA 1.107 63.105 62.100 -0.169 0.000 1.135 217 T CB -0.395 68.336 68.868 -0.228 0.000 0.895 217 T HN 0.349 nan 8.240 nan 0.000 0.480 218 I N 1.198 121.657 120.570 -0.184 0.000 2.353 218 I HA 0.078 4.248 4.170 -0.000 0.000 0.248 218 I C 3.032 179.156 176.117 0.012 0.000 1.119 218 I CA 1.016 62.239 61.300 -0.129 0.000 1.417 218 I CB -0.345 37.637 38.000 -0.030 0.000 1.078 218 I HN 0.391 nan 8.210 nan 0.000 0.421 219 A N -0.420 122.431 122.820 0.051 0.000 1.878 219 A HA -0.056 4.263 4.320 -0.000 0.000 0.213 219 A C 2.378 179.967 177.584 0.009 0.000 1.192 219 A CA 1.611 53.728 52.037 0.132 0.000 0.619 219 A CB -0.283 18.798 19.000 0.135 0.000 0.837 219 A HN 0.323 nan 8.150 nan 0.000 0.446 220 S N -0.736 114.948 115.700 -0.028 0.000 2.566 220 S HA 0.199 4.669 4.470 -0.000 0.000 0.234 220 S C 0.898 175.454 174.600 -0.075 0.000 1.075 220 S CA 0.649 58.840 58.200 -0.016 0.000 0.926 220 S CB 0.035 63.246 63.200 0.019 0.000 0.811 220 S HN 0.639 nan 8.310 nan 0.000 0.518 221 M N 1.965 121.490 119.600 -0.125 0.000 2.634 221 M HA 0.464 4.944 4.480 -0.000 0.000 0.211 221 M C -3.202 172.974 176.300 -0.207 0.000 1.019 221 M CA -1.940 53.276 55.300 -0.139 0.000 0.834 221 M CB 0.933 33.506 32.600 -0.044 0.000 1.376 221 M HN -0.166 nan 8.290 nan 0.000 0.465 222 P HA 0.264 nan 4.420 nan 0.000 0.272 222 P C -0.568 176.695 177.300 -0.062 0.000 1.223 222 P CA 0.018 62.974 63.100 -0.240 0.000 0.784 222 P CB 1.485 32.888 31.700 -0.496 0.000 0.923 223 R N 0.285 120.896 120.500 0.186 0.000 2.646 223 R HA 0.325 4.665 4.340 -0.000 0.000 0.226 223 R C 0.246 176.479 176.300 -0.111 0.000 0.928 223 R CA 0.062 56.183 56.100 0.035 0.000 1.010 223 R CB 0.292 30.646 30.300 0.091 0.000 1.516 223 R HN 0.380 nan 8.270 nan 0.000 0.621 224 L N 1.209 122.219 121.223 -0.356 0.000 2.323 224 L HA 0.490 4.830 4.340 -0.000 0.000 0.265 224 L C -1.770 174.930 176.870 -0.283 0.000 1.012 224 L CA -2.405 52.212 54.840 -0.371 0.000 0.820 224 L CB 1.628 43.359 42.059 -0.548 0.000 1.334 224 L HN -0.223 nan 8.230 nan 0.000 0.427 225 P HA -0.155 nan 4.420 nan 0.000 0.218 225 P C 0.766 178.004 177.300 -0.103 0.000 1.148 225 P CA 1.281 64.331 63.100 -0.085 0.000 0.822 225 P CB 0.403 32.087 31.700 -0.027 0.000 0.784 226 E N -0.625 119.473 120.200 -0.170 0.000 2.110 226 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 226 E C 2.102 178.534 176.600 -0.279 0.000 0.988 226 E CA 1.189 57.488 56.400 -0.169 0.000 0.804 226 E CB -1.084 28.545 29.700 -0.119 0.000 0.745 226 E HN 0.564 nan 8.360 nan 0.000 0.458 227 H N -1.187 117.632 119.070 -0.418 0.000 2.387 227 H HA -0.087 4.468 4.556 -0.000 0.000 0.299 227 H C 1.896 177.079 175.328 -0.242 0.000 1.090 227 H CA 0.851 56.622 56.048 -0.462 0.000 1.332 227 H CB -0.013 29.532 29.762 -0.362 0.000 1.386 227 H HN 0.228 nan 8.280 nan 0.000 0.516 228 C N 0.574 119.847 119.300 -0.044 0.000 2.462 228 C HA -0.117 4.343 4.460 -0.000 0.000 0.278 228 C C 2.742 177.769 174.990 0.063 0.000 1.253 228 C CA 0.545 59.558 59.018 -0.009 0.000 1.713 228 C CB -0.799 26.932 27.740 -0.015 0.000 2.049 228 C HN 0.485 nan 8.230 nan 0.000 0.477 229 I N 1.077 121.670 120.570 0.038 0.000 2.151 229 I HA -0.237 3.932 4.170 -0.000 0.000 0.243 229 I C 2.637 178.807 176.117 0.088 0.000 1.080 229 I CA 1.920 63.265 61.300 0.075 0.000 1.339 229 I CB -0.650 37.386 38.000 0.060 0.000 1.039 229 I HN 0.322 nan 8.210 nan 0.000 0.409 230 E N 0.679 120.897 120.200 0.031 0.000 2.118 230 E HA -0.289 4.060 4.350 -0.000 0.000 0.195 230 E C 2.065 178.723 176.600 0.096 0.000 0.992 230 E CA 1.516 57.949 56.400 0.054 0.000 0.804 230 E CB -0.455 29.222 29.700 -0.040 0.000 0.741 230 E HN 0.553 nan 8.360 nan 0.000 0.458 231 Y N -0.240 120.053 120.300 -0.012 0.000 2.145 231 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 231 Y C 2.021 177.972 175.900 0.084 0.000 1.145 231 Y CA 1.869 59.981 58.100 0.020 0.000 1.148 231 Y CB -0.357 38.098 38.460 -0.008 0.000 0.981 231 Y HN -0.050 nan 8.280 nan 0.000 0.507 232 V N 1.461 121.525 119.914 0.250 0.000 2.295 232 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 232 V C 2.589 178.817 176.094 0.222 0.000 1.049 232 V CA 2.362 64.793 62.300 0.218 0.000 1.024 232 V CB -0.812 31.141 31.823 0.217 0.000 0.648 232 V HN 0.411 nan 8.190 nan 0.000 0.447 233 R N -0.351 120.254 120.500 0.176 0.000 2.081 233 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 233 R C 2.251 178.592 176.300 0.067 0.000 1.131 233 R CA 2.236 58.416 56.100 0.133 0.000 0.960 233 R CB -0.186 30.155 30.300 0.067 0.000 0.856 233 R HN 0.515 nan 8.270 nan 0.000 0.436 234 M N -0.298 119.318 119.600 0.027 0.000 2.516 234 M HA 0.068 4.548 4.480 -0.000 0.000 0.259 234 M C 0.985 177.261 176.300 -0.040 0.000 1.146 234 M CA 0.850 56.148 55.300 -0.002 0.000 1.122 234 M CB 0.528 33.136 32.600 0.013 0.000 1.341 234 M HN 0.209 nan 8.290 nan 0.000 0.478 235 L N -1.398 119.730 121.223 -0.159 0.000 2.614 235 L HA 0.096 4.435 4.340 -0.000 0.000 0.185 235 L C 2.272 179.033 176.870 -0.183 0.000 1.098 235 L CA 0.183 54.879 54.840 -0.240 0.000 0.852 235 L CB -0.787 40.975 42.059 -0.496 0.000 1.213 235 L HN 0.207 nan 8.230 nan 0.000 0.491 236 Q N 0.254 119.886 119.800 -0.281 0.000 2.002 236 Q HA -0.269 4.070 4.340 -0.000 0.000 0.204 236 Q C 2.132 178.278 176.000 0.242 0.000 0.988 236 Q CA 2.290 58.109 55.803 0.027 0.000 0.843 236 Q CB -0.223 28.617 28.738 0.169 0.000 0.908 236 Q HN 0.520 nan 8.270 nan 0.000 0.420 237 W N 1.239 122.640 121.300 0.167 0.000 2.302 237 W HA -0.163 4.496 4.660 -0.000 0.000 0.320 237 W C -1.184 175.315 176.519 -0.035 0.000 1.241 237 W CA 1.810 59.194 57.345 0.065 0.000 1.264 237 W CB -1.597 27.885 29.460 0.037 0.000 1.154 237 W HN 0.211 nan 8.180 nan 0.000 0.483 238 P HA -0.184 nan 4.420 nan 0.000 0.215 238 P C 1.569 178.903 177.300 0.056 0.000 1.153 238 P CA 2.556 65.771 63.100 0.191 0.000 0.853 238 P CB -0.228 31.548 31.700 0.127 0.000 0.788 239 K N 0.161 120.586 120.400 0.042 0.000 2.032 239 K HA -0.115 4.204 4.320 -0.000 0.000 0.209 239 K C 1.125 177.715 176.600 -0.016 0.000 1.048 239 K CA 1.395 57.693 56.287 0.019 0.000 0.927 239 K CB -0.523 31.997 32.500 0.034 0.000 0.712 239 K HN 0.279 nan 8.250 nan 0.000 0.441 240 E N -0.414 119.758 120.200 -0.047 0.000 3.099 240 E HA 0.167 4.516 4.350 -0.000 0.000 0.259 240 E C -0.340 176.099 176.600 -0.269 0.000 1.274 240 E CA -0.536 55.788 56.400 -0.127 0.000 1.111 240 E CB 0.394 30.024 29.700 -0.117 0.000 1.327 240 E HN -0.053 nan 8.360 nan 0.000 0.652 241 Q N 0.401 119.958 119.800 -0.404 0.000 3.853 241 Q HA 0.133 4.473 4.340 -0.000 0.000 0.220 241 Q C -2.192 173.431 176.000 -0.629 0.000 0.826 241 Q CA -1.087 54.427 55.803 -0.482 0.000 0.821 241 Q CB 1.272 29.876 28.738 -0.223 0.000 1.546 241 Q HN 0.379 nan 8.270 nan 0.000 0.410 242 P HA -0.160 nan 4.420 nan 0.000 0.219 242 P C 0.338 177.065 177.300 -0.954 0.000 1.149 242 P CA 1.455 63.847 63.100 -1.181 0.000 0.835 242 P CB 0.159 30.476 31.700 -2.304 0.000 0.778 243 F N -0.706 118.786 119.950 -0.763 0.000 2.814 243 F HA 0.533 5.060 4.527 -0.000 0.000 0.326 243 F C 1.095 176.771 175.800 -0.207 0.000 1.159 243 F CA 0.149 57.929 58.000 -0.367 0.000 1.234 243 F CB 0.711 39.579 39.000 -0.221 0.000 1.016 243 F HN 0.011 nan 8.300 nan 0.000 0.510 244 G N 0.713 109.436 108.800 -0.129 0.000 2.784 244 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 244 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 244 G C -0.564 174.303 174.900 -0.056 0.000 1.156 244 G CA -1.273 43.785 45.100 -0.070 0.000 0.757 244 G HN 0.147 nan 8.290 nan 0.000 0.642 245 E N 0.239 120.409 120.200 -0.049 0.000 2.437 245 E HA 0.344 4.694 4.350 -0.000 0.000 0.263 245 E C 1.594 178.200 176.600 0.010 0.000 1.030 245 E CA 1.280 57.663 56.400 -0.028 0.000 0.934 245 E CB 0.589 30.275 29.700 -0.023 0.000 0.943 245 E HN 2.140 nan 8.360 nan 0.000 0.444 246 G N 1.621 110.438 108.800 0.028 0.000 2.507 246 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.240 246 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.240 246 G C 0.468 175.416 174.900 0.081 0.000 1.119 246 G CA 0.241 45.369 45.100 0.047 0.000 0.664 246 G HN 0.473 nan 8.290 nan 0.000 0.516 247 V N 4.858 124.831 119.914 0.099 0.000 2.475 247 V HA 0.335 4.455 4.120 -0.000 0.000 0.292 247 V C -0.731 175.518 176.094 0.258 0.000 1.003 247 V CA -0.042 62.352 62.300 0.157 0.000 1.120 247 V CB 0.548 32.480 31.823 0.183 0.000 0.937 247 V HN 0.503 nan 8.190 nan 0.000 0.476 248 P HA 0.280 nan 4.420 nan 0.000 0.282 248 P C -0.509 176.749 177.300 -0.069 0.000 1.249 248 P CA -0.795 62.357 63.100 0.087 0.000 0.806 248 P CB 1.559 33.257 31.700 -0.003 0.000 0.984 249 L N 1.762 122.582 121.223 -0.671 0.000 2.490 249 L HA 0.243 4.583 4.340 -0.000 0.000 0.274 249 L C -0.158 176.471 176.870 -0.401 0.000 1.201 249 L CA 0.876 54.960 54.840 -1.260 0.000 0.869 249 L CB -0.553 40.369 42.059 -1.896 0.000 1.123 249 L HN 0.270 nan 8.230 nan 0.000 0.484 250 D N 3.223 123.618 120.400 -0.008 0.000 2.454 250 D HA 0.301 4.940 4.640 -0.000 0.000 0.247 250 D C 1.080 177.325 176.300 -0.092 0.000 1.129 250 D CA 0.098 54.059 54.000 -0.066 0.000 0.877 250 D CB 1.574 42.296 40.800 -0.130 0.000 1.082 250 D HN 0.821 nan 8.370 nan 0.000 0.537 251 G N 2.954 111.688 108.800 -0.110 0.000 2.568 251 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.220 251 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.220 251 G C 0.981 175.840 174.900 -0.069 0.000 1.104 251 G CA 0.491 45.540 45.100 -0.085 0.000 0.738 251 G HN 0.497 nan 8.290 nan 0.000 0.574 252 D N -0.200 120.151 120.400 -0.083 0.000 2.301 252 D HA -0.007 4.632 4.640 -0.000 0.000 0.206 252 D C 0.299 176.551 176.300 -0.082 0.000 0.979 252 D CA -0.014 53.945 54.000 -0.068 0.000 0.874 252 D CB 0.135 40.895 40.800 -0.068 0.000 0.968 252 D HN 0.132 nan 8.370 nan 0.000 0.510 253 D N 1.455 121.752 120.400 -0.172 0.000 2.349 253 D HA 0.012 4.652 4.640 -0.000 0.000 0.266 253 D C -1.579 174.677 176.300 -0.073 0.000 1.293 253 D CA -1.650 52.195 54.000 -0.257 0.000 0.926 253 D CB 1.904 42.229 40.800 -0.792 0.000 1.090 253 D HN -0.060 nan 8.370 nan 0.000 0.502 254 P HA -0.160 nan 4.420 nan 0.000 0.216 254 P C 1.061 178.510 177.300 0.248 0.000 1.153 254 P CA 1.094 64.301 63.100 0.178 0.000 0.858 254 P CB 0.338 32.121 31.700 0.138 0.000 0.789 255 E N -1.478 118.840 120.200 0.195 0.000 2.097 255 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 255 E C 2.010 178.919 176.600 0.515 0.000 1.000 255 E CA 1.182 57.795 56.400 0.355 0.000 0.804 255 E CB -0.524 29.400 29.700 0.373 0.000 0.740 255 E HN 0.554 nan 8.360 nan 0.000 0.454 256 H N 0.013 119.144 119.070 0.102 0.000 2.326 256 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 256 H C 2.352 177.906 175.328 0.377 0.000 1.081 256 H CA 0.812 56.934 56.048 0.125 0.000 1.334 256 H CB 0.061 29.750 29.762 -0.121 0.000 1.385 256 H HN 0.116 nan 8.280 nan 0.000 0.504 257 I N 0.792 121.596 120.570 0.392 0.000 2.286 257 I HA -0.259 3.910 4.170 -0.000 0.000 0.248 257 I C 2.629 179.042 176.117 0.493 0.000 1.115 257 I CA 1.041 62.526 61.300 0.309 0.000 1.392 257 I CB -0.120 37.935 38.000 0.092 0.000 1.065 257 I HN 0.235 nan 8.210 nan 0.000 0.418 258 Q N 0.382 120.539 119.800 0.596 0.000 2.124 258 Q HA -0.255 4.084 4.340 -0.000 0.000 0.202 258 Q C 1.880 178.212 176.000 0.553 0.000 0.977 258 Q CA 1.856 58.028 55.803 0.615 0.000 0.850 258 Q CB -0.460 28.557 28.738 0.465 0.000 0.901 258 Q HN 0.547 nan 8.270 nan 0.000 0.429 259 W N 0.172 121.731 121.300 0.432 0.000 2.354 259 W HA -0.129 4.531 4.660 -0.000 0.000 0.315 259 W C 1.663 178.373 176.519 0.318 0.000 1.206 259 W CA 1.861 59.431 57.345 0.375 0.000 1.290 259 W CB -0.391 29.386 29.460 0.527 0.000 1.152 259 W HN 0.176 nan 8.180 nan 0.000 0.489 260 I N -0.095 120.823 120.570 0.581 0.000 2.208 260 I HA -0.320 3.849 4.170 -0.000 0.000 0.245 260 I C 2.427 178.653 176.117 0.182 0.000 1.097 260 I CA 1.521 63.023 61.300 0.336 0.000 1.363 260 I CB -0.896 37.361 38.000 0.428 0.000 1.051 260 I HN 0.008 nan 8.210 nan 0.000 0.413 261 F N 1.861 121.886 119.950 0.125 0.000 2.126 261 F HA -0.302 4.224 4.527 -0.000 0.000 0.299 261 F C 2.522 178.339 175.800 0.029 0.000 1.096 261 F CA 2.032 60.090 58.000 0.097 0.000 1.255 261 F CB -0.637 38.498 39.000 0.225 0.000 0.997 261 F HN 0.050 nan 8.300 nan 0.000 0.479 262 Q N 1.004 120.681 119.800 -0.205 0.000 2.020 262 Q HA -0.170 4.169 4.340 -0.000 0.000 0.202 262 Q C 2.099 177.879 176.000 -0.366 0.000 0.982 262 Q CA 2.014 57.599 55.803 -0.365 0.000 0.838 262 Q CB -0.363 28.229 28.738 -0.245 0.000 0.899 262 Q HN 0.178 nan 8.270 nan 0.000 0.423 263 K N -0.161 119.980 120.400 -0.432 0.000 2.147 263 K HA 0.018 4.337 4.320 -0.000 0.000 0.205 263 K C 2.249 178.743 176.600 -0.176 0.000 1.049 263 K CA 1.115 57.177 56.287 -0.376 0.000 0.936 263 K CB -0.442 31.695 32.500 -0.605 0.000 0.722 263 K HN 0.123 nan 8.250 nan 0.000 0.446 264 S N 1.435 117.063 115.700 -0.120 0.000 2.383 264 S HA -0.006 4.463 4.470 -0.000 0.000 0.227 264 S C 2.050 176.607 174.600 -0.072 0.000 1.026 264 S CA 0.679 58.862 58.200 -0.029 0.000 0.981 264 S CB -0.157 63.078 63.200 0.058 0.000 0.818 264 S HN 0.168 nan 8.310 nan 0.000 0.472 265 L N 1.369 122.483 121.223 -0.183 0.000 2.012 265 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 265 L C 2.540 179.335 176.870 -0.125 0.000 1.073 265 L CA 1.419 56.145 54.840 -0.190 0.000 0.748 265 L CB -0.547 41.300 42.059 -0.353 0.000 0.891 265 L HN 0.348 nan 8.230 nan 0.000 0.431 266 E N -0.468 119.648 120.200 -0.141 0.000 2.085 266 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 266 E C 2.244 178.807 176.600 -0.061 0.000 0.994 266 E CA 1.289 57.626 56.400 -0.104 0.000 0.801 266 E CB -0.155 29.473 29.700 -0.120 0.000 0.743 266 E HN 0.339 nan 8.360 nan 0.000 0.453 267 R N 0.882 121.358 120.500 -0.039 0.000 2.075 267 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 267 R C 2.283 178.641 176.300 0.097 0.000 1.126 267 R CA 1.270 57.382 56.100 0.020 0.000 0.963 267 R CB -0.222 30.070 30.300 -0.013 0.000 0.858 267 R HN 0.144 nan 8.270 nan 0.000 0.435 268 A N 0.048 122.891 122.820 0.039 0.000 1.883 268 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 268 A C 2.247 179.864 177.584 0.055 0.000 1.186 268 A CA 2.008 54.075 52.037 0.051 0.000 0.624 268 A CB -0.993 18.014 19.000 0.013 0.000 0.822 268 A HN 0.467 nan 8.150 nan 0.000 0.444 269 S N -0.762 114.940 115.700 0.002 0.000 2.359 269 S HA -0.245 4.225 4.470 -0.000 0.000 0.224 269 S C 2.172 176.744 174.600 -0.048 0.000 1.035 269 S CA 1.775 59.961 58.200 -0.024 0.000 1.018 269 S CB -0.398 62.773 63.200 -0.050 0.000 0.876 269 S HN 0.693 nan 8.310 nan 0.000 0.448 270 Q N -1.015 118.736 119.800 -0.081 0.000 2.152 270 Q HA -0.164 4.175 4.340 -0.000 0.000 0.206 270 Q C 0.982 176.774 176.000 -0.346 0.000 0.985 270 Q CA 1.774 57.433 55.803 -0.239 0.000 0.863 270 Q CB -0.253 28.265 28.738 -0.367 0.000 0.904 270 Q HN 0.706 nan 8.270 nan 0.000 0.422 271 Y N 0.344 120.606 120.300 -0.064 0.000 2.493 271 Y HA 0.161 4.711 4.550 -0.000 0.000 0.275 271 Y C -0.144 175.734 175.900 -0.037 0.000 1.183 271 Y CA -0.278 57.792 58.100 -0.051 0.000 1.258 271 Y CB -0.348 38.079 38.460 -0.056 0.000 1.108 271 Y HN 0.178 nan 8.280 nan 0.000 0.521 272 N N 0.449 119.182 118.700 0.055 0.000 2.721 272 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 272 N C -0.699 174.840 175.510 0.047 0.000 1.072 272 N CA 0.203 53.272 53.050 0.032 0.000 0.710 272 N CB -1.585 36.914 38.487 0.019 0.000 0.993 272 N HN 0.337 nan 8.380 nan 0.000 0.547 273 I N 0.823 121.430 120.570 0.062 0.000 2.392 273 I HA 0.365 4.535 4.170 -0.000 0.000 0.295 273 I C 0.669 176.799 176.117 0.021 0.000 0.985 273 I CA -0.491 60.831 61.300 0.037 0.000 1.221 273 I CB 1.282 39.301 38.000 0.032 0.000 1.366 273 I HN 0.043 nan 8.210 nan 0.000 0.467 274 R N 3.077 123.584 120.500 0.012 0.000 2.919 274 R HA 0.744 5.084 4.340 -0.000 0.000 0.260 274 R C 0.442 176.752 176.300 0.016 0.000 1.067 274 R CA -0.592 55.518 56.100 0.017 0.000 1.003 274 R CB 1.633 31.944 30.300 0.017 0.000 1.192 274 R HN 0.872 nan 8.270 nan 0.000 0.488 275 G N -0.271 108.549 108.800 0.033 0.000 2.255 275 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.196 275 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.196 275 G C -0.092 174.848 174.900 0.067 0.000 0.998 275 G CA -0.353 44.769 45.100 0.037 0.000 0.656 275 G HN 0.348 nan 8.290 nan 0.000 0.490 276 V N 2.789 122.757 119.914 0.091 0.000 2.557 276 V HA 0.486 4.606 4.120 -0.000 0.000 0.301 276 V C 0.946 177.216 176.094 0.294 0.000 1.026 276 V CA 1.289 63.692 62.300 0.170 0.000 1.137 276 V CB 0.668 32.589 31.823 0.165 0.000 0.917 276 V HN 1.060 nan 8.190 nan 0.000 0.484 277 T N 1.571 116.276 114.554 0.252 0.000 2.883 277 T HA 0.388 4.737 4.350 -0.000 0.000 0.301 277 T C 0.261 174.814 174.700 -0.246 0.000 1.158 277 T CA -0.585 61.582 62.100 0.112 0.000 1.007 277 T CB 1.158 70.046 68.868 0.034 0.000 1.186 277 T HN 0.360 nan 8.240 nan 0.000 0.499 278 Y N 1.732 121.493 120.300 -0.898 0.000 2.207 278 Y HA -0.071 4.479 4.550 -0.000 0.000 0.287 278 Y C 2.785 178.479 175.900 -0.344 0.000 1.156 278 Y CA 2.027 59.566 58.100 -0.936 0.000 1.182 278 Y CB -0.034 37.929 38.460 -0.828 0.000 0.979 278 Y HN 0.766 nan 8.280 nan 0.000 0.521 279 R N -0.268 120.135 120.500 -0.162 0.000 2.092 279 R HA -0.154 4.185 4.340 -0.000 0.000 0.231 279 R C 2.055 178.279 176.300 -0.126 0.000 1.119 279 R CA 1.538 57.568 56.100 -0.117 0.000 0.970 279 R CB -0.529 29.754 30.300 -0.028 0.000 0.864 279 R HN 0.452 nan 8.270 nan 0.000 0.440 280 L N 0.773 121.941 121.223 -0.091 0.000 2.376 280 L HA -0.000 4.340 4.340 -0.000 0.000 0.219 280 L C 1.488 178.324 176.870 -0.056 0.000 1.133 280 L CA 1.683 56.496 54.840 -0.044 0.000 0.816 280 L CB -0.123 41.937 42.059 0.002 0.000 0.933 280 L HN 0.117 nan 8.230 nan 0.000 0.449 281 T N -1.172 113.305 114.554 -0.128 0.000 2.896 281 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 281 T C 1.748 176.359 174.700 -0.147 0.000 1.050 281 T CA 1.296 63.335 62.100 -0.101 0.000 1.140 281 T CB -0.033 68.772 68.868 -0.105 0.000 0.877 281 T HN 0.445 nan 8.240 nan 0.000 0.457 282 Q N 0.628 120.272 119.800 -0.261 0.000 2.046 282 Q HA -0.009 4.330 4.340 -0.000 0.000 0.200 282 Q C 2.753 178.692 176.000 -0.101 0.000 0.975 282 Q CA 1.351 57.031 55.803 -0.204 0.000 0.836 282 Q CB -0.572 28.023 28.738 -0.239 0.000 0.896 282 Q HN 0.570 nan 8.270 nan 0.000 0.428 283 G N 0.850 109.602 108.800 -0.081 0.000 2.553 283 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 283 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 283 G C 1.542 176.439 174.900 -0.005 0.000 1.195 283 G CA 1.389 46.468 45.100 -0.036 0.000 0.779 283 G HN 0.234 nan 8.290 nan 0.000 0.577 284 V N 0.279 120.203 119.914 0.017 0.000 2.261 284 V HA -0.181 3.938 4.120 -0.000 0.000 0.246 284 V C 3.036 179.157 176.094 0.044 0.000 1.047 284 V CA 1.605 63.945 62.300 0.067 0.000 1.015 284 V CB -0.655 31.224 31.823 0.093 0.000 0.642 284 V HN 0.250 nan 8.190 nan 0.000 0.446 285 V N -0.142 119.777 119.914 0.008 0.000 2.233 285 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 285 V C 2.281 178.356 176.094 -0.032 0.000 1.050 285 V CA 2.154 64.446 62.300 -0.014 0.000 1.010 285 V CB -0.650 31.152 31.823 -0.035 0.000 0.637 285 V HN 0.521 nan 8.190 nan 0.000 0.444 286 K N -0.657 119.718 120.400 -0.041 0.000 2.487 286 K HA 0.082 4.402 4.320 -0.000 0.000 0.192 286 K C 0.236 176.817 176.600 -0.032 0.000 1.027 286 K CA -0.143 56.118 56.287 -0.044 0.000 1.054 286 K CB 0.133 32.603 32.500 -0.050 0.000 0.824 286 K HN 0.203 nan 8.250 nan 0.000 0.510 287 R N 0.853 121.344 120.500 -0.016 0.000 3.333 287 R HA -0.177 4.163 4.340 -0.000 0.000 0.256 287 R C -0.470 175.819 176.300 -0.019 0.000 1.010 287 R CA 0.526 56.620 56.100 -0.010 0.000 0.680 287 R CB -2.735 27.554 30.300 -0.018 0.000 1.102 287 R HN 0.312 nan 8.270 nan 0.000 0.440 288 I N 1.115 121.673 120.570 -0.021 0.000 2.710 288 I HA -0.020 4.150 4.170 -0.000 0.000 0.286 288 I C 1.501 177.604 176.117 -0.023 0.000 1.181 288 I CA 0.527 61.812 61.300 -0.025 0.000 1.430 288 I CB 0.376 38.358 38.000 -0.029 0.000 1.367 288 I HN 0.081 nan 8.210 nan 0.000 0.577 289 I N 8.163 128.718 120.570 -0.025 0.000 2.312 289 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 289 I C -1.928 174.164 176.117 -0.042 0.000 1.008 289 I CA -1.797 59.486 61.300 -0.028 0.000 1.226 289 I CB 1.033 39.022 38.000 -0.020 0.000 1.371 289 I HN 0.323 nan 8.210 nan 0.000 0.468 290 P HA 0.219 nan 4.420 nan 0.000 0.267 290 P C -0.940 176.296 177.300 -0.106 0.000 1.200 290 P CA -0.049 62.997 63.100 -0.089 0.000 0.772 290 P CB 0.694 32.321 31.700 -0.123 0.000 0.855 291 A N 1.379 124.140 122.820 -0.099 0.000 2.589 291 A HA 0.671 4.991 4.320 -0.000 0.000 0.296 291 A C -0.838 176.712 177.584 -0.057 0.000 1.062 291 A CA -0.456 51.532 52.037 -0.082 0.000 0.686 291 A CB 1.226 20.203 19.000 -0.038 0.000 1.282 291 A HN 0.410 nan 8.150 nan 0.000 0.404 292 V N -1.789 118.108 119.914 -0.028 0.000 3.182 292 V HA 0.919 5.038 4.120 -0.000 0.000 0.308 292 V C 0.939 177.072 176.094 0.064 0.000 1.240 292 V CA -0.023 62.298 62.300 0.036 0.000 1.063 292 V CB 1.021 32.902 31.823 0.097 0.000 1.076 292 V HN 1.986 nan 8.190 nan 0.000 0.446 293 A N 0.892 123.761 122.820 0.081 0.000 1.854 293 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 293 A C 2.384 180.019 177.584 0.085 0.000 1.192 293 A CA 2.580 54.666 52.037 0.082 0.000 0.611 293 A CB -1.280 17.773 19.000 0.088 0.000 0.832 293 A HN 1.870 nan 8.150 nan 0.000 0.442 294 S N -0.089 115.674 115.700 0.105 0.000 2.390 294 S HA -0.304 4.165 4.470 -0.000 0.000 0.234 294 S C 1.850 176.508 174.600 0.098 0.000 1.063 294 S CA 2.505 60.767 58.200 0.103 0.000 1.108 294 S CB -1.718 61.572 63.200 0.150 0.000 0.975 294 S HN 0.531 nan 8.310 nan 0.000 0.442 295 T N 2.814 117.473 114.554 0.175 0.000 2.746 295 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 295 T C 1.859 176.576 174.700 0.028 0.000 1.039 295 T CA 1.435 63.633 62.100 0.162 0.000 1.142 295 T CB -0.613 68.409 68.868 0.257 0.000 0.866 295 T HN 0.473 nan 8.240 nan 0.000 0.444 296 N N 1.310 120.029 118.700 0.031 0.000 2.120 296 N HA -0.036 4.703 4.740 -0.000 0.000 0.188 296 N C 2.243 177.736 175.510 -0.028 0.000 1.024 296 N CA 1.264 54.311 53.050 -0.005 0.000 0.852 296 N CB -0.424 38.065 38.487 0.003 0.000 1.003 296 N HN 0.413 nan 8.380 nan 0.000 0.424 297 A N 1.230 124.044 122.820 -0.009 0.000 1.892 297 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 297 A C 2.573 180.100 177.584 -0.096 0.000 1.188 297 A CA 1.562 53.584 52.037 -0.025 0.000 0.631 297 A CB -0.899 18.089 19.000 -0.020 0.000 0.822 297 A HN 0.095 nan 8.150 nan 0.000 0.447 298 V N 0.550 120.368 119.914 -0.161 0.000 2.216 298 V HA -0.264 3.856 4.120 -0.000 0.000 0.243 298 V C 2.444 178.365 176.094 -0.289 0.000 1.044 298 V CA 1.946 64.065 62.300 -0.302 0.000 0.995 298 V CB -0.739 30.718 31.823 -0.610 0.000 0.633 298 V HN 0.524 nan 8.190 nan 0.000 0.446 299 I N 0.619 121.024 120.570 -0.275 0.000 2.248 299 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 299 I C 2.671 178.696 176.117 -0.154 0.000 1.107 299 I CA 2.067 63.244 61.300 -0.206 0.000 1.373 299 I CB -1.724 36.195 38.000 -0.135 0.000 1.055 299 I HN 0.356 nan 8.210 nan 0.000 0.418 300 A N 0.760 123.507 122.820 -0.121 0.000 1.902 300 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 300 A C 2.598 180.119 177.584 -0.105 0.000 1.181 300 A CA 1.941 53.920 52.037 -0.097 0.000 0.623 300 A CB -0.724 18.237 19.000 -0.065 0.000 0.818 300 A HN 0.416 nan 8.150 nan 0.000 0.443 301 A N -0.451 122.299 122.820 -0.116 0.000 1.858 301 A HA -0.024 4.295 4.320 -0.000 0.000 0.216 301 A C 2.215 179.718 177.584 -0.134 0.000 1.190 301 A CA 1.822 53.788 52.037 -0.118 0.000 0.617 301 A CB -1.100 17.823 19.000 -0.128 0.000 0.827 301 A HN 0.431 nan 8.150 nan 0.000 0.443 302 V N -0.597 119.222 119.914 -0.159 0.000 2.324 302 V HA -0.374 3.746 4.120 -0.000 0.000 0.250 302 V C 2.684 178.695 176.094 -0.138 0.000 1.060 302 V CA 2.132 64.337 62.300 -0.159 0.000 1.042 302 V CB -1.255 30.460 31.823 -0.181 0.000 0.650 302 V HN 0.727 nan 8.190 nan 0.000 0.450 303 C N 0.000 119.220 119.300 -0.133 0.000 2.436 303 C HA -0.105 4.354 4.460 -0.000 0.000 0.277 303 C C 3.120 178.049 174.990 -0.102 0.000 1.241 303 C CA 0.882 59.828 59.018 -0.120 0.000 1.721 303 C CB -1.366 26.303 27.740 -0.118 0.000 2.043 303 C HN 0.646 nan 8.230 nan 0.000 0.472 304 A N 0.068 122.829 122.820 -0.099 0.000 1.883 304 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 304 A C 2.166 179.729 177.584 -0.035 0.000 1.186 304 A CA 2.650 54.635 52.037 -0.086 0.000 0.624 304 A CB -1.269 17.684 19.000 -0.078 0.000 0.822 304 A HN 0.586 nan 8.150 nan 0.000 0.444 305 T N 0.151 114.669 114.554 -0.061 0.000 2.635 305 T HA -0.161 4.188 4.350 -0.000 0.000 0.267 305 T C 1.791 176.509 174.700 0.030 0.000 1.040 305 T CA 1.635 63.708 62.100 -0.045 0.000 1.156 305 T CB -0.330 68.465 68.868 -0.122 0.000 0.863 305 T HN 0.498 nan 8.240 nan 0.000 0.430 306 E N 0.639 120.822 120.200 -0.028 0.000 2.209 306 E HA -0.074 4.275 4.350 -0.000 0.000 0.196 306 E C 2.401 179.011 176.600 0.018 0.000 0.993 306 E CA 0.538 56.925 56.400 -0.021 0.000 0.819 306 E CB -0.567 29.091 29.700 -0.069 0.000 0.745 306 E HN 0.343 nan 8.360 nan 0.000 0.477 307 V N 0.884 120.808 119.914 0.018 0.000 2.307 307 V HA -0.223 3.896 4.120 -0.000 0.000 0.245 307 V C 2.108 178.313 176.094 0.186 0.000 1.045 307 V CA 1.693 64.004 62.300 0.017 0.000 1.024 307 V CB -0.594 31.151 31.823 -0.131 0.000 0.651 307 V HN 0.156 nan 8.190 nan 0.000 0.449 308 F N 1.103 121.127 119.950 0.123 0.000 2.095 308 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 308 F C 2.357 178.236 175.800 0.132 0.000 1.104 308 F CA 2.046 60.192 58.000 0.244 0.000 1.232 308 F CB -0.200 38.904 39.000 0.173 0.000 0.987 308 F HN -0.012 nan 8.300 nan 0.000 0.475 309 K N 0.517 121.040 120.400 0.206 0.000 2.032 309 K HA -0.168 4.151 4.320 -0.000 0.000 0.209 309 K C 2.069 178.658 176.600 -0.019 0.000 1.048 309 K CA 2.181 58.520 56.287 0.086 0.000 0.927 309 K CB -0.428 32.124 32.500 0.087 0.000 0.712 309 K HN 0.338 nan 8.250 nan 0.000 0.441 310 I N 0.279 120.844 120.570 -0.009 0.000 2.226 310 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 310 I C 2.191 178.291 176.117 -0.028 0.000 1.100 310 I CA 1.185 62.462 61.300 -0.038 0.000 1.374 310 I CB -0.338 37.650 38.000 -0.020 0.000 1.057 310 I HN 0.178 nan 8.210 nan 0.000 0.413 311 A N 0.154 122.977 122.820 0.005 0.000 2.119 311 A HA -0.135 4.184 4.320 -0.000 0.000 0.217 311 A C 2.135 179.647 177.584 -0.121 0.000 1.153 311 A CA 2.006 54.038 52.037 -0.009 0.000 0.692 311 A CB -0.639 18.452 19.000 0.152 0.000 0.799 311 A HN 0.549 nan 8.150 nan 0.000 0.458 312 T N -6.968 107.475 114.554 -0.186 0.000 2.969 312 T HA 0.227 4.577 4.350 -0.000 0.000 0.258 312 T C 0.744 175.482 174.700 0.064 0.000 0.962 312 T CA 1.042 63.051 62.100 -0.150 0.000 0.903 312 T CB -0.021 68.606 68.868 -0.401 0.000 1.177 312 T HN 0.696 nan 8.240 nan 0.000 0.511 313 S N 0.688 116.412 115.700 0.041 0.000 3.261 313 S HA -0.243 4.227 4.470 -0.000 0.000 0.287 313 S C 1.548 176.225 174.600 0.129 0.000 1.281 313 S CA 0.695 58.989 58.200 0.157 0.000 1.053 313 S CB -2.045 61.359 63.200 0.340 0.000 1.251 313 S HN 1.196 nan 8.310 nan 0.000 0.659 314 A N -0.957 121.859 122.820 -0.007 0.000 2.131 314 A HA 0.262 4.582 4.320 -0.000 0.000 0.220 314 A C 0.515 177.744 177.584 -0.591 0.000 1.158 314 A CA 1.496 53.296 52.037 -0.395 0.000 0.665 314 A CB -0.186 18.794 19.000 -0.032 0.000 0.795 314 A HN 0.732 nan 8.150 nan 0.000 0.460 315 Y N -2.836 117.427 120.300 -0.062 0.000 2.656 315 Y HA 0.473 5.023 4.550 -0.000 0.000 0.334 315 Y C -0.593 175.310 175.900 0.005 0.000 1.179 315 Y CA -1.680 56.416 58.100 -0.006 0.000 1.050 315 Y CB 0.881 39.334 38.460 -0.012 0.000 1.308 315 Y HN 0.012 nan 8.280 nan 0.000 0.456 316 I N 2.425 123.130 120.570 0.223 0.000 2.556 316 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 316 I C -2.445 173.690 176.117 0.030 0.000 1.114 316 I CA -2.004 59.359 61.300 0.104 0.000 1.418 316 I CB -0.419 37.675 38.000 0.156 0.000 1.394 316 I HN 0.225 nan 8.210 nan 0.000 0.552 317 P HA 0.105 nan 4.420 nan 0.000 0.269 317 P C -0.433 176.836 177.300 -0.052 0.000 1.215 317 P CA -0.597 62.469 63.100 -0.057 0.000 0.780 317 P CB 0.462 32.109 31.700 -0.089 0.000 0.898 318 L N 2.521 123.701 121.223 -0.071 0.000 2.525 318 L HA -0.013 4.327 4.340 -0.000 0.000 0.278 318 L C 1.178 177.998 176.870 -0.083 0.000 1.218 318 L CA 0.683 55.469 54.840 -0.090 0.000 0.878 318 L CB -0.496 41.491 42.059 -0.119 0.000 1.127 318 L HN 0.299 nan 8.230 nan 0.000 0.492 319 N N 3.175 121.827 118.700 -0.080 0.000 2.132 319 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 319 N C 0.811 176.266 175.510 -0.092 0.000 1.069 319 N CA 1.652 54.662 53.050 -0.066 0.000 0.887 319 N CB 0.037 38.500 38.487 -0.040 0.000 1.059 319 N HN 0.799 nan 8.380 nan 0.000 0.453 320 N N -1.501 117.121 118.700 -0.131 0.000 2.463 320 N HA 0.022 4.761 4.740 -0.000 0.000 0.183 320 N C -0.477 174.934 175.510 -0.165 0.000 1.064 320 N CA 0.154 53.120 53.050 -0.141 0.000 0.879 320 N CB 1.531 39.947 38.487 -0.117 0.000 1.148 320 N HN 0.277 nan 8.380 nan 0.000 0.451 321 Y N -0.033 119.932 120.300 -0.558 0.000 2.641 321 Y HA 0.456 5.006 4.550 -0.000 0.000 0.333 321 Y C -1.986 173.601 175.900 -0.522 0.000 1.174 321 Y CA -1.040 56.705 58.100 -0.592 0.000 1.057 321 Y CB 1.453 39.364 38.460 -0.916 0.000 1.322 321 Y HN -0.183 nan 8.280 nan 0.000 0.457 322 L N 5.693 126.744 121.223 -0.286 0.000 2.505 322 L HA 0.817 5.157 4.340 -0.000 0.000 0.266 322 L C -1.833 175.026 176.870 -0.019 0.000 0.954 322 L CA -0.754 54.016 54.840 -0.116 0.000 0.852 322 L CB 1.737 43.697 42.059 -0.165 0.000 1.282 322 L HN 0.480 nan 8.230 nan 0.000 0.403 323 V N 1.345 121.380 119.914 0.202 0.000 2.581 323 V HA 0.627 4.747 4.120 -0.000 0.000 0.303 323 V C -0.786 175.461 176.094 0.255 0.000 1.041 323 V CA -0.630 61.834 62.300 0.273 0.000 0.907 323 V CB 1.577 33.643 31.823 0.404 0.000 0.994 323 V HN 0.679 nan 8.190 nan 0.000 0.442 324 F N 2.965 122.964 119.950 0.083 0.000 2.540 324 F HA 0.661 5.188 4.527 -0.000 0.000 0.317 324 F C -0.402 175.482 175.800 0.140 0.000 1.104 324 F CA -0.613 57.432 58.000 0.075 0.000 0.913 324 F CB 1.822 40.841 39.000 0.032 0.000 1.170 324 F HN 0.794 nan 8.300 nan 0.000 0.450 325 N N 3.847 122.181 118.700 -0.610 0.000 2.478 325 N HA 0.221 4.961 4.740 -0.000 0.000 0.291 325 N C -1.735 173.394 175.510 -0.635 0.000 1.090 325 N CA -0.479 52.335 53.050 -0.395 0.000 0.911 325 N CB 1.212 39.675 38.487 -0.040 0.000 1.546 325 N HN 0.692 nan 8.380 nan 0.000 0.500 326 D N 2.814 122.910 120.400 -0.508 0.000 2.696 326 D HA 0.021 4.661 4.640 -0.000 0.000 0.269 326 D C 1.413 177.547 176.300 -0.277 0.000 1.319 326 D CA -0.274 53.493 54.000 -0.388 0.000 0.826 326 D CB 0.077 40.695 40.800 -0.304 0.000 1.086 326 D HN 0.252 nan 8.370 nan 0.000 0.481 327 V N -2.477 117.344 119.914 -0.155 0.000 2.649 327 V HA 0.128 4.248 4.120 -0.000 0.000 0.248 327 V C 0.282 176.309 176.094 -0.112 0.000 1.054 327 V CA 1.078 63.307 62.300 -0.118 0.000 1.073 327 V CB -0.195 31.660 31.823 0.054 0.000 0.699 327 V HN 0.077 nan 8.190 nan 0.000 0.463 328 D N 0.384 120.726 120.400 -0.097 0.000 2.446 328 D HA 0.509 5.149 4.640 -0.000 0.000 0.251 328 D C 0.638 176.891 176.300 -0.079 0.000 1.137 328 D CA 0.943 54.894 54.000 -0.081 0.000 0.890 328 D CB 0.695 41.452 40.800 -0.072 0.000 1.071 328 D HN 0.691 nan 8.370 nan 0.000 0.528 329 G N 2.616 111.371 108.800 -0.074 0.000 2.575 329 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.267 329 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.267 329 G C -0.713 174.152 174.900 -0.059 0.000 1.264 329 G CA -0.048 45.022 45.100 -0.049 0.000 0.935 329 G HN 0.566 nan 8.290 nan 0.000 0.568 330 L N -0.432 120.784 121.223 -0.012 0.000 2.376 330 L HA 0.653 4.993 4.340 -0.000 0.000 0.275 330 L C -0.852 176.062 176.870 0.073 0.000 0.987 330 L CA -0.832 54.000 54.840 -0.013 0.000 0.828 330 L CB 2.033 44.126 42.059 0.056 0.000 1.249 330 L HN 0.699 nan 8.230 nan 0.000 0.409 331 Y N 2.827 123.032 120.300 -0.160 0.000 2.421 331 Y HA 0.660 5.210 4.550 -0.000 0.000 0.339 331 Y C -0.480 175.417 175.900 -0.005 0.000 0.996 331 Y CA -0.627 57.435 58.100 -0.062 0.000 1.046 331 Y CB 2.112 40.532 38.460 -0.068 0.000 1.226 331 Y HN 0.606 nan 8.280 nan 0.000 0.445 332 T N 2.613 116.836 114.554 -0.553 0.000 2.903 332 T HA 0.531 4.880 4.350 -0.000 0.000 0.299 332 T C -2.019 172.347 174.700 -0.555 0.000 1.093 332 T CA -0.753 61.147 62.100 -0.333 0.000 1.002 332 T CB 1.967 70.821 68.868 -0.024 0.000 1.127 332 T HN 0.607 nan 8.240 nan 0.000 0.488 333 Y N 0.953 121.033 120.300 -0.366 0.000 2.386 333 Y HA 0.603 5.153 4.550 -0.000 0.000 0.334 333 Y C -1.107 174.828 175.900 0.059 0.000 1.002 333 Y CA -0.689 57.312 58.100 -0.165 0.000 1.068 333 Y CB 2.015 40.464 38.460 -0.019 0.000 1.203 333 Y HN 0.955 nan 8.280 nan 0.000 0.443 334 T N 7.888 122.184 114.554 -0.430 0.000 2.829 334 T HA 0.722 5.072 4.350 -0.000 0.000 0.280 334 T C -1.238 173.195 174.700 -0.445 0.000 0.999 334 T CA -0.352 61.532 62.100 -0.359 0.000 0.983 334 T CB 0.904 69.649 68.868 -0.205 0.000 0.968 334 T HN 0.548 nan 8.240 nan 0.000 0.446 335 F N -0.390 119.314 119.950 -0.411 0.000 2.779 335 F HA 0.675 5.202 4.527 -0.000 0.000 0.316 335 F C -1.310 174.421 175.800 -0.115 0.000 1.164 335 F CA -1.322 56.494 58.000 -0.307 0.000 0.924 335 F CB 1.490 40.236 39.000 -0.423 0.000 1.348 335 F HN 0.478 nan 8.300 nan 0.000 0.467 336 E N 1.772 122.099 120.200 0.212 0.000 2.102 336 E HA 0.625 4.974 4.350 -0.000 0.000 0.263 336 E C -0.994 175.761 176.600 0.259 0.000 0.894 336 E CA -0.944 55.513 56.400 0.095 0.000 0.746 336 E CB 1.323 31.069 29.700 0.077 0.000 1.129 336 E HN 0.990 nan 8.360 nan 0.000 0.416 337 A N 5.144 128.049 122.820 0.142 0.000 2.454 337 A HA 0.131 4.451 4.320 -0.000 0.000 0.260 337 A C 0.196 177.851 177.584 0.119 0.000 1.106 337 A CA -0.423 51.760 52.037 0.244 0.000 0.780 337 A CB 0.349 19.433 19.000 0.140 0.000 1.044 337 A HN 0.662 nan 8.150 nan 0.000 0.498 338 E N 1.394 121.657 120.200 0.105 0.000 2.413 338 E HA -0.010 4.340 4.350 -0.000 0.000 0.263 338 E C 0.286 176.913 176.600 0.046 0.000 1.015 338 E CA -0.021 56.416 56.400 0.061 0.000 0.916 338 E CB 0.618 30.345 29.700 0.045 0.000 0.947 338 E HN 0.612 nan 8.360 nan 0.000 0.440 339 R N 3.190 123.712 120.500 0.036 0.000 2.272 339 R HA 0.008 4.348 4.340 -0.000 0.000 0.334 339 R C 0.099 176.412 176.300 0.022 0.000 1.117 339 R CA -0.282 55.835 56.100 0.029 0.000 0.966 339 R CB 0.107 30.423 30.300 0.027 0.000 1.049 339 R HN 0.312 nan 8.270 nan 0.000 0.477 340 K N 3.867 124.279 120.400 0.021 0.000 2.366 340 K HA -0.125 4.195 4.320 -0.000 0.000 0.272 340 K C 0.267 176.871 176.600 0.006 0.000 1.151 340 K CA 0.568 56.864 56.287 0.014 0.000 1.173 340 K CB 0.413 32.922 32.500 0.015 0.000 0.853 340 K HN 0.627 nan 8.250 nan 0.000 0.473 341 E N 2.499 122.701 120.200 0.004 0.000 2.267 341 E HA -0.221 4.128 4.350 -0.000 0.000 0.197 341 E C 0.181 176.772 176.600 -0.015 0.000 0.998 341 E CA 1.431 57.829 56.400 -0.004 0.000 0.830 341 E CB -0.119 29.579 29.700 -0.002 0.000 0.751 341 E HN 0.759 nan 8.360 nan 0.000 0.491 342 N N -0.269 118.421 118.700 -0.016 0.000 2.389 342 N HA 0.140 4.879 4.740 -0.000 0.000 0.260 342 N C -0.382 175.105 175.510 -0.039 0.000 1.191 342 N CA -0.564 52.468 53.050 -0.030 0.000 0.885 342 N CB 0.389 38.864 38.487 -0.020 0.000 1.162 342 N HN -0.088 nan 8.380 nan 0.000 0.512 343 C N 2.472 121.754 119.300 -0.030 0.000 2.642 343 C HA 0.145 4.605 4.460 -0.000 0.000 0.420 343 C C -0.425 174.532 174.990 -0.055 0.000 1.349 343 C CA -1.272 57.729 59.018 -0.028 0.000 1.821 343 C CB 0.656 28.389 27.740 -0.011 0.000 2.637 343 C HN 0.493 nan 8.230 nan 0.000 0.605 344 P HA 0.031 nan 4.420 nan 0.000 0.227 344 P C 0.831 178.105 177.300 -0.042 0.000 1.161 344 P CA 1.594 64.647 63.100 -0.078 0.000 0.788 344 P CB 0.139 31.814 31.700 -0.041 0.000 0.822 345 A N 0.882 123.689 122.820 -0.022 0.000 1.908 345 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 345 A C 2.366 179.940 177.584 -0.016 0.000 1.378 345 A CA 1.267 53.294 52.037 -0.018 0.000 0.613 345 A CB -1.362 17.633 19.000 -0.009 0.000 1.053 345 A HN 0.362 nan 8.150 nan 0.000 0.484 346 C N -0.137 119.160 119.300 -0.004 0.000 2.539 346 C HA 0.418 4.878 4.460 -0.000 0.000 0.271 346 C C 1.536 176.530 174.990 0.006 0.000 1.412 346 C CA -0.188 58.838 59.018 0.013 0.000 1.729 346 C CB -2.092 25.662 27.740 0.024 0.000 1.739 346 C HN 0.419 nan 8.230 nan 0.000 0.570 347 S N -0.231 115.454 115.700 -0.025 0.000 2.632 347 S HA 0.337 4.807 4.470 -0.000 0.000 0.267 347 S C 0.934 175.482 174.600 -0.087 0.000 1.276 347 S CA -0.219 57.951 58.200 -0.050 0.000 0.998 347 S CB 0.829 63.995 63.200 -0.057 0.000 0.953 347 S HN 0.551 nan 8.310 nan 0.000 0.547 348 Q N 1.154 120.876 119.800 -0.130 0.000 2.050 348 Q HA 0.298 4.638 4.340 -0.000 0.000 0.200 348 Q C 0.253 176.176 176.000 -0.129 0.000 0.988 348 Q CA 0.509 56.205 55.803 -0.179 0.000 0.845 348 Q CB -0.803 27.768 28.738 -0.278 0.000 0.917 348 Q HN 0.742 nan 8.270 nan 0.000 0.481 349 L N 4.562 125.717 121.223 -0.113 0.000 2.628 349 L HA -0.035 4.305 4.340 -0.000 0.000 0.292 349 L C -1.685 175.130 176.870 -0.091 0.000 1.250 349 L CA -0.807 53.982 54.840 -0.085 0.000 0.892 349 L CB -0.796 41.224 42.059 -0.066 0.000 1.138 349 L HN 0.190 nan 8.230 nan 0.000 0.502 350 P HA -0.088 nan 4.420 nan 0.000 0.270 350 P C -0.784 176.414 177.300 -0.170 0.000 1.221 350 P CA -0.298 62.734 63.100 -0.113 0.000 0.788 350 P CB 0.542 32.213 31.700 -0.048 0.000 0.904 351 Q N 1.604 121.185 119.800 -0.364 0.000 2.307 351 Q HA 0.133 4.472 4.340 -0.000 0.000 0.259 351 Q C -0.221 175.690 176.000 -0.150 0.000 0.998 351 Q CA 0.068 55.598 55.803 -0.455 0.000 0.923 351 Q CB -0.376 27.602 28.738 -1.266 0.000 1.196 351 Q HN 0.248 nan 8.270 nan 0.000 0.416 352 N N 4.352 123.052 118.700 0.001 0.000 2.452 352 N HA 0.119 4.859 4.740 -0.000 0.000 0.266 352 N C -0.686 174.945 175.510 0.202 0.000 1.175 352 N CA 0.044 53.185 53.050 0.151 0.000 0.945 352 N CB 0.674 39.250 38.487 0.149 0.000 1.063 352 N HN 0.438 nan 8.380 nan 0.000 0.472 353 I N 1.993 122.724 120.570 0.268 0.000 2.562 353 I HA 0.153 4.322 4.170 -0.000 0.000 0.301 353 I C -0.415 175.834 176.117 0.220 0.000 1.003 353 I CA -0.625 60.834 61.300 0.265 0.000 1.127 353 I CB 1.666 39.916 38.000 0.417 0.000 1.304 353 I HN 0.216 nan 8.210 nan 0.000 0.446 354 Q N 6.438 126.250 119.800 0.020 0.000 2.381 354 Q HA 0.515 4.855 4.340 -0.000 0.000 0.263 354 Q C -1.609 174.217 176.000 -0.290 0.000 1.030 354 Q CA -0.178 55.599 55.803 -0.045 0.000 0.772 354 Q CB 1.617 30.273 28.738 -0.136 0.000 1.232 354 Q HN 0.381 nan 8.270 nan 0.000 0.476 355 F N 0.230 120.251 119.950 0.117 0.000 2.574 355 F HA 0.255 4.782 4.527 -0.001 0.000 0.313 355 F C 0.467 176.432 175.800 0.275 0.000 1.130 355 F CA -0.889 57.195 58.000 0.141 0.000 0.936 355 F CB 1.770 40.844 39.000 0.124 0.000 1.219 355 F HN 0.319 nan 8.300 nan 0.000 0.445 356 S N 2.511 118.365 115.700 0.258 0.000 2.560 356 S HA 0.167 4.636 4.470 -0.000 0.000 0.284 356 S C -2.083 172.406 174.600 -0.186 0.000 1.327 356 S CA -0.826 57.391 58.200 0.028 0.000 1.055 356 S CB 1.088 64.280 63.200 -0.013 0.000 0.868 356 S HN 0.413 nan 8.310 nan 0.000 0.506 357 P HA -0.135 nan 4.420 nan 0.000 0.218 357 P C 1.468 178.568 177.300 -0.332 0.000 1.146 357 P CA 1.620 63.999 63.100 -1.201 0.000 0.820 357 P CB -0.173 30.867 31.700 -1.100 0.000 0.778 358 S N -1.909 113.674 115.700 -0.195 0.000 2.561 358 S HA 0.184 4.653 4.470 -0.000 0.000 0.225 358 S C 1.050 175.650 174.600 0.001 0.000 0.977 358 S CA -0.057 58.099 58.200 -0.074 0.000 0.926 358 S CB -0.868 62.296 63.200 -0.059 0.000 0.769 358 S HN 0.099 nan 8.310 nan 0.000 0.533 359 A N 2.104 124.959 122.820 0.058 0.000 2.520 359 A HA 0.340 4.659 4.320 -0.000 0.000 0.245 359 A C 0.464 178.077 177.584 0.048 0.000 1.072 359 A CA -0.258 51.858 52.037 0.130 0.000 0.761 359 A CB 0.135 19.321 19.000 0.309 0.000 1.004 359 A HN 0.566 nan 8.150 nan 0.000 0.499 360 K N 1.597 122.007 120.400 0.017 0.000 2.155 360 K HA 0.328 4.648 4.320 -0.000 0.000 0.237 360 K C 1.059 177.602 176.600 -0.095 0.000 1.040 360 K CA -0.630 55.639 56.287 -0.030 0.000 0.912 360 K CB 0.630 33.114 32.500 -0.027 0.000 1.137 360 K HN 0.664 nan 8.250 nan 0.000 0.498 361 L N 0.773 121.931 121.223 -0.109 0.000 2.102 361 L HA -0.155 4.185 4.340 -0.000 0.000 0.202 361 L C 2.362 179.137 176.870 -0.158 0.000 1.076 361 L CA 1.057 55.805 54.840 -0.153 0.000 0.761 361 L CB -0.098 41.883 42.059 -0.130 0.000 0.921 361 L HN 0.583 nan 8.230 nan 0.000 0.444 362 Q N 0.340 120.056 119.800 -0.141 0.000 2.197 362 Q HA -0.350 3.990 4.340 -0.000 0.000 0.211 362 Q C 1.924 177.890 176.000 -0.056 0.000 0.993 362 Q CA 2.458 58.188 55.803 -0.121 0.000 0.883 362 Q CB -0.140 28.538 28.738 -0.100 0.000 0.916 362 Q HN 0.651 nan 8.270 nan 0.000 0.418 363 E N -0.959 119.220 120.200 -0.035 0.000 2.046 363 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 363 E C 2.032 178.672 176.600 0.067 0.000 0.982 363 E CA 1.119 57.557 56.400 0.062 0.000 0.800 363 E CB 0.209 29.991 29.700 0.137 0.000 0.756 363 E HN 0.139 nan 8.360 nan 0.000 0.449 364 V N 1.385 121.162 119.914 -0.229 0.000 2.407 364 V HA -0.241 3.878 4.120 -0.000 0.000 0.248 364 V C 2.423 178.506 176.094 -0.018 0.000 1.055 364 V CA 1.432 63.521 62.300 -0.351 0.000 1.049 364 V CB -0.475 30.933 31.823 -0.692 0.000 0.662 364 V HN 0.339 nan 8.190 nan 0.000 0.455 365 L N 0.299 121.491 121.223 -0.051 0.000 2.083 365 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 365 L C 2.035 178.934 176.870 0.049 0.000 1.083 365 L CA 2.046 56.885 54.840 -0.002 0.000 0.752 365 L CB -0.737 41.310 42.059 -0.020 0.000 0.899 365 L HN 0.307 nan 8.230 nan 0.000 0.433 366 D N -1.915 118.532 120.400 0.078 0.000 2.277 366 D HA -0.194 4.446 4.640 -0.000 0.000 0.208 366 D C 1.836 178.235 176.300 0.165 0.000 0.962 366 D CA 1.020 55.081 54.000 0.101 0.000 0.865 366 D CB -0.030 40.827 40.800 0.095 0.000 0.939 366 D HN 0.515 nan 8.370 nan 0.000 0.510 367 Y N 1.494 121.865 120.300 0.119 0.000 2.220 367 Y HA -0.054 4.495 4.550 -0.001 0.000 0.291 367 Y C 2.042 178.017 175.900 0.125 0.000 1.129 367 Y CA 1.040 59.240 58.100 0.167 0.000 1.161 367 Y CB -0.420 38.238 38.460 0.329 0.000 0.997 367 Y HN -0.144 nan 8.280 nan 0.000 0.522 368 L N -0.599 120.579 121.223 -0.075 0.000 2.056 368 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 368 L C 2.238 179.033 176.870 -0.125 0.000 1.078 368 L CA 1.870 56.589 54.840 -0.202 0.000 0.749 368 L CB -0.799 41.193 42.059 -0.112 0.000 0.901 368 L HN 0.208 nan 8.230 nan 0.000 0.433 369 T N -0.635 113.892 114.554 -0.045 0.000 2.904 369 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 369 T C 1.438 176.125 174.700 -0.021 0.000 1.059 369 T CA 0.994 63.083 62.100 -0.019 0.000 1.137 369 T CB -0.063 68.812 68.868 0.012 0.000 0.879 369 T HN 0.314 nan 8.240 nan 0.000 0.467 370 N N 0.544 119.232 118.700 -0.020 0.000 2.220 370 N HA 0.118 4.858 4.740 -0.000 0.000 0.195 370 N C 0.391 175.889 175.510 -0.020 0.000 1.123 370 N CA 0.036 53.085 53.050 -0.002 0.000 0.874 370 N CB 0.362 38.872 38.487 0.038 0.000 0.995 370 N HN 0.144 nan 8.380 nan 0.000 0.498 371 S N 1.116 116.753 115.700 -0.104 0.000 2.466 371 S HA 0.250 4.720 4.470 -0.000 0.000 0.286 371 S C 1.313 175.882 174.600 -0.051 0.000 1.221 371 S CA -0.413 57.720 58.200 -0.111 0.000 1.091 371 S CB 0.340 63.310 63.200 -0.383 0.000 0.956 371 S HN 0.352 nan 8.310 nan 0.000 0.501 372 A N 4.282 127.102 122.820 0.000 0.000 2.272 372 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 372 A C 2.208 179.803 177.584 0.019 0.000 1.183 372 A CA 1.526 53.572 52.037 0.016 0.000 0.719 372 A CB -0.532 18.485 19.000 0.029 0.000 0.771 372 A HN 0.795 nan 8.150 nan 0.000 0.484 373 S N -1.056 114.647 115.700 0.005 0.000 2.475 373 S HA 0.215 4.684 4.470 -0.000 0.000 0.224 373 S C 0.728 175.332 174.600 0.007 0.000 1.042 373 S CA 0.489 58.699 58.200 0.016 0.000 0.935 373 S CB -0.122 63.098 63.200 0.033 0.000 0.801 373 S HN 0.479 nan 8.310 nan 0.000 0.509 374 L N 3.143 124.348 121.223 -0.030 0.000 3.025 374 L HA 0.414 4.754 4.340 -0.000 0.000 0.307 374 L C -0.613 176.239 176.870 -0.030 0.000 1.303 374 L CA -0.668 54.164 54.840 -0.013 0.000 0.817 374 L CB 0.552 42.614 42.059 0.005 0.000 1.227 374 L HN 0.156 nan 8.230 nan 0.000 0.571 375 Q N 1.418 121.208 119.800 -0.016 0.000 2.263 375 Q HA 0.348 4.688 4.340 -0.000 0.000 0.289 375 Q C -0.616 175.381 176.000 -0.003 0.000 1.061 375 Q CA 0.703 56.497 55.803 -0.015 0.000 0.927 375 Q CB 0.719 29.456 28.738 -0.001 0.000 1.154 375 Q HN 0.444 nan 8.270 nan 0.000 0.378 376 M N 2.462 122.056 119.600 -0.009 0.000 2.204 376 M HA 0.179 4.659 4.480 -0.000 0.000 0.293 376 M C 0.353 176.654 176.300 0.001 0.000 0.994 376 M CA -0.875 54.426 55.300 0.002 0.000 0.925 376 M CB 2.067 34.666 32.600 -0.001 0.000 1.577 376 M HN 0.554 nan 8.290 nan 0.000 0.439 377 K N 2.251 122.654 120.400 0.005 0.000 2.000 377 K HA -0.106 4.214 4.320 -0.000 0.000 0.218 377 K C 0.551 177.154 176.600 0.005 0.000 1.053 377 K CA 1.938 58.226 56.287 0.002 0.000 0.946 377 K CB 0.075 32.575 32.500 0.000 0.000 0.723 377 K HN 0.604 nan 8.250 nan 0.000 0.446 378 S N 0.538 116.240 115.700 0.004 0.000 2.479 378 S HA 0.335 4.805 4.470 -0.000 0.000 0.169 378 S C -2.877 171.717 174.600 -0.011 0.000 1.181 378 S CA -1.357 56.845 58.200 0.004 0.000 1.169 378 S CB 0.680 63.879 63.200 -0.003 0.000 1.384 378 S HN 0.167 nan 8.310 nan 0.000 0.412 379 P HA 0.475 nan 4.420 nan 0.000 0.275 379 P C -0.779 176.490 177.300 -0.052 0.000 1.270 379 P CA -0.436 62.650 63.100 -0.024 0.000 0.791 379 P CB 0.608 32.289 31.700 -0.030 0.000 1.089 380 A N 0.859 123.643 122.820 -0.060 0.000 2.569 380 A HA 0.554 4.874 4.320 -0.000 0.000 0.282 380 A C -0.176 177.373 177.584 -0.059 0.000 1.165 380 A CA -0.666 51.320 52.037 -0.085 0.000 0.747 380 A CB -0.046 18.902 19.000 -0.088 0.000 1.215 380 A HN 0.355 nan 8.150 nan 0.000 0.431 381 I N 2.529 123.081 120.570 -0.030 0.000 2.396 381 I HA 0.604 4.774 4.170 -0.000 0.000 0.292 381 I C 0.554 176.657 176.117 -0.023 0.000 0.999 381 I CA -0.014 61.261 61.300 -0.042 0.000 1.310 381 I CB 1.887 39.860 38.000 -0.045 0.000 1.404 381 I HN 0.722 nan 8.210 nan 0.000 0.496 382 T N 2.283 116.817 114.554 -0.032 0.000 2.885 382 T HA 0.856 5.205 4.350 -0.000 0.000 0.322 382 T C -0.875 173.813 174.700 -0.020 0.000 1.387 382 T CA -0.782 61.306 62.100 -0.020 0.000 1.041 382 T CB 1.990 70.848 68.868 -0.017 0.000 1.287 382 T HN 0.853 nan 8.240 nan 0.000 0.491 383 A N 0.736 123.546 122.820 -0.017 0.000 2.567 383 A HA 0.836 5.156 4.320 -0.000 0.000 0.289 383 A C -0.348 177.228 177.584 -0.014 0.000 1.177 383 A CA -0.994 51.032 52.037 -0.018 0.000 0.694 383 A CB 1.098 20.080 19.000 -0.030 0.000 1.292 383 A HN 0.888 nan 8.150 nan 0.000 0.425 384 T N 2.373 116.919 114.554 -0.015 0.000 2.997 384 T HA 0.416 4.765 4.350 -0.000 0.000 0.311 384 T C 0.608 175.300 174.700 -0.013 0.000 1.079 384 T CA 0.071 62.164 62.100 -0.011 0.000 0.982 384 T CB -0.973 67.889 68.868 -0.010 0.000 1.032 384 T HN 0.391 nan 8.240 nan 0.000 0.581 385 L N 1.797 123.014 121.223 -0.010 0.000 2.367 385 L HA 0.183 4.523 4.340 -0.000 0.000 0.215 385 L C 2.538 179.404 176.870 -0.006 0.000 1.197 385 L CA 0.141 54.976 54.840 -0.008 0.000 0.836 385 L CB -0.404 41.653 42.059 -0.004 0.000 1.242 385 L HN 0.679 nan 8.230 nan 0.000 0.553 386 E N 0.335 120.533 120.200 -0.003 0.000 2.340 386 E HA -0.297 4.052 4.350 -0.000 0.000 0.246 386 E C 1.587 178.185 176.600 -0.003 0.000 1.077 386 E CA 2.587 58.986 56.400 -0.002 0.000 1.060 386 E CB -1.381 28.319 29.700 0.000 0.000 0.935 386 E HN 0.989 nan 8.360 nan 0.000 0.495 387 G N -0.629 108.170 108.800 -0.002 0.000 2.535 387 G HA2 0.266 4.226 3.960 -0.000 0.000 0.191 387 G HA3 0.266 4.226 3.960 -0.000 0.000 0.191 387 G C 0.625 175.524 174.900 -0.001 0.000 1.242 387 G CA 0.543 45.643 45.100 -0.001 0.000 0.797 387 G HN 0.677 nan 8.290 nan 0.000 0.863 388 K N 1.182 121.581 120.400 -0.001 0.000 2.159 388 K HA 0.460 4.779 4.320 -0.000 0.000 0.266 388 K C -0.698 175.901 176.600 -0.002 0.000 0.975 388 K CA -0.717 55.570 56.287 -0.001 0.000 0.865 388 K CB 1.683 34.183 32.500 -0.000 0.000 1.087 388 K HN 0.045 nan 8.250 nan 0.000 0.446 389 N N 1.882 120.581 118.700 -0.002 0.000 2.508 389 N HA 0.075 4.815 4.740 -0.000 0.000 0.264 389 N C -0.699 174.809 175.510 -0.003 0.000 1.216 389 N CA -0.307 52.741 53.050 -0.003 0.000 0.943 389 N CB 0.776 39.262 38.487 -0.003 0.000 1.113 389 N HN 0.423 nan 8.380 nan 0.000 0.447 390 R N 0.671 121.169 120.500 -0.004 0.000 2.686 390 R HA 0.234 4.573 4.340 -0.000 0.000 0.283 390 R C -1.219 175.080 176.300 -0.002 0.000 0.978 390 R CA -0.546 55.553 56.100 -0.002 0.000 0.897 390 R CB 1.475 31.775 30.300 0.000 0.000 1.192 390 R HN 0.410 nan 8.270 nan 0.000 0.457 391 T N 5.863 120.417 114.554 -0.001 0.000 2.855 391 T HA 0.163 4.512 4.350 -0.000 0.000 0.290 391 T C 1.692 176.404 174.700 0.020 0.000 0.941 391 T CA -0.255 61.844 62.100 -0.001 0.000 1.030 391 T CB 0.203 69.064 68.868 -0.012 0.000 0.935 391 T HN 0.450 nan 8.240 nan 0.000 0.564 392 L N 2.195 123.433 121.223 0.025 0.000 1.989 392 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 392 L C 0.687 177.640 176.870 0.139 0.000 1.071 392 L CA 1.528 56.398 54.840 0.051 0.000 0.749 392 L CB -0.320 41.755 42.059 0.025 0.000 0.890 392 L HN 0.556 nan 8.230 nan 0.000 0.431 393 Y N -1.140 119.135 120.300 -0.041 0.000 2.624 393 Y HA 0.622 5.171 4.550 -0.000 0.000 0.334 393 Y C -1.571 174.309 175.900 -0.034 0.000 1.155 393 Y CA -1.833 56.245 58.100 -0.036 0.000 1.046 393 Y CB 1.669 40.104 38.460 -0.042 0.000 1.316 393 Y HN -0.111 nan 8.280 nan 0.000 0.457 394 L N 3.502 124.166 121.223 -0.931 0.000 2.643 394 L HA 0.384 4.724 4.340 -0.000 0.000 0.256 394 L C -0.785 175.618 176.870 -0.778 0.000 0.931 394 L CA -0.061 54.381 54.840 -0.665 0.000 0.895 394 L CB 2.186 44.068 42.059 -0.295 0.000 1.430 394 L HN 0.822 nan 8.230 nan 0.000 0.419 395 Q N 0.854 120.358 119.800 -0.493 0.000 2.246 395 Q HA 0.146 4.486 4.340 -0.000 0.000 0.222 395 Q C 0.599 176.505 176.000 -0.156 0.000 0.851 395 Q CA 0.777 56.405 55.803 -0.293 0.000 0.945 395 Q CB 0.579 29.215 28.738 -0.169 0.000 1.122 395 Q HN 0.903 nan 8.270 nan 0.000 0.508 396 S N -0.284 115.329 115.700 -0.144 0.000 2.387 396 S HA -0.073 4.397 4.470 -0.000 0.000 0.230 396 S C 0.546 175.103 174.600 -0.073 0.000 1.035 396 S CA 0.967 59.115 58.200 -0.087 0.000 1.014 396 S CB 0.142 63.298 63.200 -0.073 0.000 0.836 396 S HN 0.220 nan 8.310 nan 0.000 0.466 397 V N 1.794 121.657 119.914 -0.086 0.000 2.569 397 V HA 0.212 4.332 4.120 -0.000 0.000 0.301 397 V C 1.105 177.163 176.094 -0.060 0.000 1.044 397 V CA -0.490 61.773 62.300 -0.061 0.000 0.874 397 V CB 1.552 33.345 31.823 -0.050 0.000 1.002 397 V HN 0.422 nan 8.190 nan 0.000 0.424 398 T N -0.013 114.518 114.554 -0.039 0.000 2.869 398 T HA -0.222 4.128 4.350 -0.000 0.000 0.270 398 T C 1.965 176.655 174.700 -0.017 0.000 1.082 398 T CA 1.941 64.027 62.100 -0.023 0.000 1.123 398 T CB -0.042 68.819 68.868 -0.011 0.000 0.856 398 T HN 0.607 nan 8.240 nan 0.000 0.499 399 S N 1.814 117.501 115.700 -0.022 0.000 2.404 399 S HA -0.084 4.386 4.470 -0.000 0.000 0.216 399 S C 1.788 176.379 174.600 -0.016 0.000 1.039 399 S CA 1.281 59.472 58.200 -0.015 0.000 1.062 399 S CB -0.596 62.593 63.200 -0.018 0.000 1.046 399 S HN 0.435 nan 8.310 nan 0.000 0.415 400 I N 2.603 123.155 120.570 -0.029 0.000 2.800 400 I HA -0.077 4.092 4.170 -0.000 0.000 0.266 400 I C 2.270 178.366 176.117 -0.036 0.000 1.249 400 I CA 1.297 62.578 61.300 -0.032 0.000 1.458 400 I CB -0.873 37.097 38.000 -0.051 0.000 1.093 400 I HN 0.498 nan 8.210 nan 0.000 0.466 401 E N 1.763 121.935 120.200 -0.047 0.000 2.017 401 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 401 E C 1.902 178.548 176.600 0.075 0.000 0.997 401 E CA 1.861 58.244 56.400 -0.029 0.000 0.804 401 E CB -0.415 29.268 29.700 -0.029 0.000 0.757 401 E HN 0.562 nan 8.360 nan 0.000 0.448 402 E N 0.088 120.316 120.200 0.047 0.000 2.051 402 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 402 E C 2.206 178.836 176.600 0.051 0.000 0.991 402 E CA 1.124 57.555 56.400 0.051 0.000 0.799 402 E CB -0.190 29.527 29.700 0.028 0.000 0.748 402 E HN 0.203 nan 8.360 nan 0.000 0.449 403 R N 0.155 120.677 120.500 0.037 0.000 2.377 403 R HA -0.069 4.270 4.340 -0.000 0.000 0.207 403 R C 1.599 177.930 176.300 0.051 0.000 1.075 403 R CA 1.460 57.579 56.100 0.033 0.000 1.035 403 R CB -0.076 30.235 30.300 0.018 0.000 0.857 403 R HN 0.324 nan 8.270 nan 0.000 0.475 404 T N -4.868 109.741 114.554 0.092 0.000 3.168 404 T HA 0.068 4.418 4.350 -0.000 0.000 0.261 404 T C 1.605 176.395 174.700 0.150 0.000 0.931 404 T CA -0.460 61.722 62.100 0.136 0.000 0.949 404 T CB -0.143 68.842 68.868 0.195 0.000 1.229 404 T HN 0.017 nan 8.240 nan 0.000 0.504 405 R N 2.169 122.786 120.500 0.195 0.000 2.224 405 R HA -0.181 4.158 4.340 -0.000 0.000 0.255 405 R C -1.044 175.211 176.300 -0.075 0.000 1.130 405 R CA 2.758 58.874 56.100 0.027 0.000 0.957 405 R CB -1.583 28.754 30.300 0.062 0.000 0.907 405 R HN 0.338 nan 8.270 nan 0.000 0.446 406 P HA -0.115 nan 4.420 nan 0.000 0.218 406 P C 0.275 177.547 177.300 -0.046 0.000 1.146 406 P CA 1.310 64.391 63.100 -0.033 0.000 0.813 406 P CB -0.226 31.469 31.700 -0.009 0.000 0.778 407 N N -0.965 117.712 118.700 -0.038 0.000 2.520 407 N HA -0.051 4.688 4.740 -0.000 0.000 0.185 407 N C 1.564 177.020 175.510 -0.089 0.000 1.068 407 N CA 0.739 53.766 53.050 -0.040 0.000 0.911 407 N CB -0.385 38.100 38.487 -0.003 0.000 0.961 407 N HN 0.272 nan 8.380 nan 0.000 0.446 408 L N -0.234 120.892 121.223 -0.161 0.000 2.141 408 L HA -0.062 4.277 4.340 -0.000 0.000 0.209 408 L C 2.392 179.183 176.870 -0.131 0.000 1.094 408 L CA 0.740 55.448 54.840 -0.220 0.000 0.763 408 L CB -0.171 41.678 42.059 -0.350 0.000 0.908 408 L HN 0.067 nan 8.230 nan 0.000 0.437 409 S N -0.398 115.245 115.700 -0.096 0.000 2.425 409 S HA 0.005 4.475 4.470 -0.000 0.000 0.225 409 S C 1.351 175.925 174.600 -0.043 0.000 1.024 409 S CA 0.689 58.853 58.200 -0.060 0.000 0.951 409 S CB -0.102 63.070 63.200 -0.047 0.000 0.796 409 S HN 0.337 nan 8.310 nan 0.000 0.498 410 K N 1.221 121.596 120.400 -0.041 0.000 2.274 410 K HA 0.300 4.620 4.320 -0.000 0.000 0.255 410 K C 0.539 177.126 176.600 -0.021 0.000 1.005 410 K CA 0.562 56.834 56.287 -0.024 0.000 0.864 410 K CB -0.933 31.556 32.500 -0.019 0.000 1.013 410 K HN 0.549 nan 8.250 nan 0.000 0.519 411 T N -2.544 112.007 114.554 -0.005 0.000 2.889 411 T HA 0.468 4.817 4.350 -0.000 0.000 0.278 411 T C 1.405 176.127 174.700 0.037 0.000 0.995 411 T CA -0.522 61.583 62.100 0.008 0.000 0.966 411 T CB 0.673 69.545 68.868 0.007 0.000 1.237 411 T HN 0.354 nan 8.240 nan 0.000 0.591 412 L N -0.496 120.783 121.223 0.094 0.000 2.349 412 L HA 0.014 4.354 4.340 -0.000 0.000 0.220 412 L C 1.968 178.942 176.870 0.174 0.000 1.130 412 L CA 1.606 56.558 54.840 0.186 0.000 0.791 412 L CB -0.631 41.743 42.059 0.526 0.000 0.918 412 L HN 0.761 nan 8.230 nan 0.000 0.444 413 K N -0.200 120.269 120.400 0.116 0.000 2.758 413 K HA 0.071 4.391 4.320 -0.000 0.000 0.208 413 K C 1.022 177.646 176.600 0.040 0.000 1.091 413 K CA -0.025 56.313 56.287 0.084 0.000 1.059 413 K CB 0.425 32.977 32.500 0.087 0.000 0.801 413 K HN 0.030 nan 8.250 nan 0.000 0.470 414 E N 0.036 120.251 120.200 0.026 0.000 2.526 414 E HA 0.142 4.492 4.350 -0.000 0.000 0.208 414 E C 0.558 177.166 176.600 0.013 0.000 0.997 414 E CA 0.155 56.563 56.400 0.013 0.000 0.961 414 E CB 0.483 30.186 29.700 0.004 0.000 1.030 414 E HN 0.336 nan 8.360 nan 0.000 0.483 415 L N -1.212 120.023 121.223 0.019 0.000 2.781 415 L HA 0.401 4.741 4.340 -0.000 0.000 0.245 415 L C 0.890 177.770 176.870 0.017 0.000 1.118 415 L CA 0.228 55.076 54.840 0.013 0.000 0.918 415 L CB 0.768 42.830 42.059 0.005 0.000 1.246 415 L HN 0.160 nan 8.230 nan 0.000 0.526 416 G N 2.332 111.151 108.800 0.032 0.000 2.417 416 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.291 416 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.291 416 G C -0.498 174.415 174.900 0.021 0.000 1.094 416 G CA -0.382 44.737 45.100 0.032 0.000 1.146 416 G HN 0.046 nan 8.290 nan 0.000 0.519 417 L N 1.523 122.768 121.223 0.037 0.000 2.276 417 L HA 0.414 4.754 4.340 -0.000 0.000 0.286 417 L C 1.083 177.925 176.870 -0.046 0.000 1.024 417 L CA -0.821 54.001 54.840 -0.030 0.000 0.826 417 L CB 1.345 43.356 42.059 -0.080 0.000 1.211 417 L HN 0.529 nan 8.230 nan 0.000 0.422 418 V N 0.321 120.198 119.914 -0.061 0.000 2.287 418 V HA 0.129 4.249 4.120 -0.000 0.000 0.246 418 V C 0.625 176.635 176.094 -0.140 0.000 1.165 418 V CA -1.047 61.223 62.300 -0.049 0.000 1.088 418 V CB -0.026 31.781 31.823 -0.026 0.000 1.242 418 V HN 0.728 nan 8.190 nan 0.000 0.497 419 D N 4.859 125.116 120.400 -0.239 0.000 2.923 419 D HA 0.178 4.818 4.640 -0.000 0.000 0.220 419 D C 1.026 177.201 176.300 -0.209 0.000 1.099 419 D CA 2.230 56.001 54.000 -0.382 0.000 0.807 419 D CB 0.042 40.699 40.800 -0.239 0.000 1.155 419 D HN 1.551 nan 8.370 nan 0.000 0.524 420 G N 3.033 111.656 108.800 -0.295 0.000 2.797 420 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.192 420 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.192 420 G C -0.111 174.685 174.900 -0.173 0.000 1.101 420 G CA 0.224 45.183 45.100 -0.235 0.000 0.930 420 G HN 0.831 nan 8.290 nan 0.000 0.512 421 Q N -1.475 118.206 119.800 -0.199 0.000 3.111 421 Q HA 0.819 5.159 4.340 -0.000 0.000 0.372 421 Q C -0.657 175.290 176.000 -0.087 0.000 0.781 421 Q CA -1.057 54.674 55.803 -0.119 0.000 0.866 421 Q CB 1.288 29.960 28.738 -0.109 0.000 1.351 421 Q HN 0.250 nan 8.270 nan 0.000 0.453 422 E N -0.207 119.964 120.200 -0.049 0.000 2.392 422 E HA 0.669 5.019 4.350 -0.000 0.000 0.269 422 E C -1.402 175.203 176.600 0.008 0.000 0.924 422 E CA -0.843 55.555 56.400 -0.003 0.000 0.784 422 E CB 2.602 32.306 29.700 0.008 0.000 1.292 422 E HN 0.362 nan 8.360 nan 0.000 0.447 423 L N 0.757 122.016 121.223 0.061 0.000 2.422 423 L HA 0.603 4.943 4.340 -0.000 0.000 0.264 423 L C -1.015 175.895 176.870 0.066 0.000 0.984 423 L CA -0.834 54.027 54.840 0.035 0.000 0.819 423 L CB 2.109 44.170 42.059 0.003 0.000 1.330 423 L HN 0.568 nan 8.230 nan 0.000 0.410 424 A N 3.112 125.944 122.820 0.020 0.000 2.273 424 A HA 0.712 5.031 4.320 -0.000 0.000 0.320 424 A C -0.664 176.920 177.584 -0.001 0.000 1.358 424 A CA -0.477 51.578 52.037 0.030 0.000 0.910 424 A CB 0.453 19.462 19.000 0.015 0.000 1.159 424 A HN 0.366 nan 8.150 nan 0.000 0.526 425 V N 1.254 121.181 119.914 0.022 0.000 2.398 425 V HA 0.771 4.891 4.120 -0.000 0.000 0.286 425 V C 0.406 176.512 176.094 0.020 0.000 1.026 425 V CA -0.455 61.829 62.300 -0.026 0.000 0.868 425 V CB 0.999 32.761 31.823 -0.101 0.000 0.982 425 V HN 1.075 nan 8.190 nan 0.000 0.443 426 A N 3.131 125.949 122.820 -0.003 0.000 2.330 426 A HA 0.803 5.122 4.320 -0.000 0.000 0.313 426 A C -1.014 176.574 177.584 0.006 0.000 1.124 426 A CA -0.383 51.659 52.037 0.009 0.000 0.774 426 A CB 1.497 20.499 19.000 0.003 0.000 1.198 426 A HN 0.811 nan 8.150 nan 0.000 0.465 427 D N 1.233 121.648 120.400 0.025 0.000 2.547 427 D HA 0.460 5.100 4.640 -0.000 0.000 0.231 427 D C 0.813 177.153 176.300 0.066 0.000 1.099 427 D CA -0.430 53.589 54.000 0.031 0.000 0.901 427 D CB 2.196 43.015 40.800 0.032 0.000 1.478 427 D HN 0.131 nan 8.370 nan 0.000 0.471 428 V N 1.163 121.117 119.914 0.066 0.000 3.078 428 V HA -0.095 4.024 4.120 -0.000 0.000 0.265 428 V C 2.170 178.368 176.094 0.173 0.000 1.122 428 V CA 1.757 64.120 62.300 0.104 0.000 1.141 428 V CB -0.669 31.183 31.823 0.048 0.000 0.735 428 V HN 0.715 nan 8.190 nan 0.000 0.498 429 T N -0.552 114.078 114.554 0.127 0.000 2.985 429 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 429 T C 0.771 175.567 174.700 0.160 0.000 1.076 429 T CA 1.408 63.589 62.100 0.135 0.000 1.135 429 T CB -0.038 68.871 68.868 0.070 0.000 0.890 429 T HN 0.586 nan 8.240 nan 0.000 0.480 430 T N 1.320 115.928 114.554 0.090 0.000 2.916 430 T HA 0.412 4.762 4.350 -0.000 0.000 0.305 430 T C -2.341 172.244 174.700 -0.191 0.000 1.119 430 T CA -1.041 60.999 62.100 -0.100 0.000 1.008 430 T CB 2.122 70.943 68.868 -0.079 0.000 1.129 430 T HN -0.209 nan 8.240 nan 0.000 0.480 431 P HA 0.040 nan 4.420 nan 0.000 0.219 431 P C 0.388 177.579 177.300 -0.182 0.000 1.150 431 P CA 0.719 63.579 63.100 -0.400 0.000 0.814 431 P CB 0.279 31.512 31.700 -0.778 0.000 0.787 432 Q N -0.536 119.154 119.800 -0.183 0.000 2.394 432 Q HA 0.190 4.530 4.340 -0.000 0.000 0.248 432 Q C -0.208 175.774 176.000 -0.030 0.000 0.992 432 Q CA 0.450 56.199 55.803 -0.090 0.000 0.888 432 Q CB 0.348 29.034 28.738 -0.086 0.000 1.257 432 Q HN -0.003 nan 8.270 nan 0.000 0.462 433 T N 1.458 116.010 114.554 -0.004 0.000 2.744 433 T HA 0.269 4.618 4.350 -0.000 0.000 0.291 433 T C -0.779 173.953 174.700 0.053 0.000 0.957 433 T CA -0.463 61.654 62.100 0.027 0.000 1.002 433 T CB 0.972 69.856 68.868 0.026 0.000 0.919 433 T HN 0.327 nan 8.240 nan 0.000 0.468 434 V N 6.561 126.541 119.914 0.109 0.000 2.407 434 V HA 0.505 4.624 4.120 -0.000 0.000 0.278 434 V C -0.483 175.780 176.094 0.282 0.000 1.037 434 V CA -0.774 61.626 62.300 0.166 0.000 0.900 434 V CB 0.396 32.365 31.823 0.243 0.000 0.983 434 V HN 0.740 nan 8.190 nan 0.000 0.459 435 L N 7.528 128.844 121.223 0.154 0.000 2.292 435 L HA 0.556 4.895 4.340 -0.000 0.000 0.284 435 L C -0.795 176.154 176.870 0.132 0.000 1.065 435 L CA -0.109 54.837 54.840 0.176 0.000 0.806 435 L CB 1.054 43.144 42.059 0.051 0.000 1.175 435 L HN 0.505 nan 8.230 nan 0.000 0.431 436 F N 1.467 121.425 119.950 0.013 0.000 2.561 436 F HA 0.490 5.016 4.527 -0.000 0.000 0.321 436 F C 0.108 175.904 175.800 -0.007 0.000 1.065 436 F CA -0.987 57.031 58.000 0.030 0.000 0.934 436 F CB 1.856 40.891 39.000 0.058 0.000 1.215 436 F HN 0.228 nan 8.300 nan 0.000 0.471 437 K N 2.552 123.036 120.400 0.141 0.000 2.389 437 K HA 0.372 4.692 4.320 -0.000 0.000 0.261 437 K C -1.110 175.440 176.600 -0.082 0.000 1.014 437 K CA -0.941 55.342 56.287 -0.006 0.000 0.920 437 K CB 1.572 34.061 32.500 -0.018 0.000 1.149 437 K HN 0.411 nan 8.250 nan 0.000 0.444 438 L N 3.881 125.007 121.223 -0.162 0.000 2.490 438 L HA 0.032 4.372 4.340 -0.000 0.000 0.274 438 L C -0.668 175.937 176.870 -0.442 0.000 1.201 438 L CA 0.920 55.636 54.840 -0.207 0.000 0.869 438 L CB -0.008 41.875 42.059 -0.293 0.000 1.123 438 L HN 0.543 nan 8.230 nan 0.000 0.484 439 H N 6.024 125.086 119.070 -0.013 0.000 3.013 439 H HA 0.310 4.866 4.556 -0.001 0.000 0.326 439 H C -1.087 174.327 175.328 0.143 0.000 0.973 439 H CA -0.415 55.645 56.048 0.020 0.000 1.369 439 H CB 0.839 30.625 29.762 0.041 0.000 1.598 439 H HN 0.553 nan 8.280 nan 0.000 0.518 440 F N 2.133 122.180 119.950 0.161 0.000 2.404 440 F HA 0.163 4.689 4.527 -0.000 0.000 0.345 440 F C 1.037 176.893 175.800 0.094 0.000 1.110 440 F CA -0.289 57.779 58.000 0.114 0.000 1.130 440 F CB 1.489 40.536 39.000 0.078 0.000 1.129 440 F HN 0.456 nan 8.300 nan 0.000 0.500 441 T N -1.088 113.611 114.554 0.242 0.000 3.516 441 T HA 0.247 4.597 4.350 -0.000 0.000 0.300 441 T C -0.330 174.395 174.700 0.041 0.000 0.995 441 T CA -0.438 61.729 62.100 0.113 0.000 0.982 441 T CB 0.245 69.152 68.868 0.065 0.000 1.199 441 T HN 0.480 nan 8.240 nan 0.000 0.481 442 S N 0.000 115.705 115.700 0.008 0.000 2.498 442 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 442 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 442 S CB 0.000 63.166 63.200 -0.057 0.000 0.593 442 S HN 0.000 nan 8.310 nan 0.000 0.517