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 1zt2_1_C DATA FIRST_RESID 11 DATA SEQUENCE TNLIKSFFRN YYLNAELELP KDMELREFAL QPFGSDTYVR HLSFSSSEEL DATA SEQUENCE RDYLVNRNLP LHLFYSSARY QLPSARNMEE KAWMGSDLLF DIDADHLcKL DATA SEQUENCE RSIRFCPVCG NAVVSEKCER DNVETLEYVE MTSEcIKRGL EQTRNLVEIL DATA SEQUENCE EDDFGLKPKV YFSGNRGFHV QVDcYGNcAL LDSDERKEIA EYVMGIGVPG DATA SEQUENCE YPGGSENAPG WVGRKNRGIN GVTIDEQVTI DVKRLIRIPN SLHGKSGLIV DATA SEQUENCE KRVPNLDDFE FNETLSPFTG YTIFLPYITI ETEVLGSIIK LNRGIPIKIK DATA SEQUENCE SSIGIYLHLR NLGEVKAYVR 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 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.656 174.700 -0.073 0.000 1.109 11 T CA 0.000 62.073 62.100 -0.046 0.000 1.349 11 T CB 0.000 68.839 68.868 -0.049 0.000 0.612 12 N N 1.487 120.123 118.700 -0.108 0.000 3.034 12 N HA 0.387 5.128 4.740 0.001 0.000 0.265 12 N C 1.098 176.495 175.510 -0.188 0.000 1.166 12 N CA -0.246 52.698 53.050 -0.176 0.000 1.081 12 N CB 0.133 38.482 38.487 -0.230 0.000 1.378 12 N HN 0.471 nan 8.380 nan 0.000 0.520 13 L N 0.666 121.795 121.223 -0.158 0.000 2.056 13 L HA -0.080 4.261 4.340 0.001 0.000 0.207 13 L C 1.777 178.587 176.870 -0.100 0.000 1.078 13 L CA 0.778 55.543 54.840 -0.126 0.000 0.749 13 L CB -0.097 41.928 42.059 -0.057 0.000 0.901 13 L HN 0.389 nan 8.230 nan 0.000 0.433 14 I N 0.383 120.826 120.570 -0.212 0.000 2.127 14 I HA -0.309 3.861 4.170 0.001 0.000 0.241 14 I C 2.491 178.387 176.117 -0.369 0.000 1.075 14 I CA 1.629 62.748 61.300 -0.303 0.000 1.334 14 I CB -1.089 36.651 38.000 -0.432 0.000 1.040 14 I HN 0.284 nan 8.210 nan 0.000 0.405 15 K N 0.693 120.751 120.400 -0.570 0.000 2.059 15 K HA -0.197 4.123 4.320 0.001 0.000 0.212 15 K C 2.278 178.794 176.600 -0.141 0.000 1.050 15 K CA 2.060 58.029 56.287 -0.530 0.000 0.927 15 K CB -0.236 31.915 32.500 -0.582 0.000 0.714 15 K HN 0.241 nan 8.250 nan 0.000 0.447 16 S N 0.825 116.424 115.700 -0.169 0.000 2.359 16 S HA -0.156 4.315 4.470 0.001 0.000 0.223 16 S C 1.785 176.318 174.600 -0.111 0.000 1.039 16 S CA 1.500 59.602 58.200 -0.164 0.000 1.042 16 S CB -0.468 62.559 63.200 -0.289 0.000 0.915 16 S HN 0.215 nan 8.310 nan 0.000 0.439 17 F N 0.545 120.386 119.950 -0.182 0.000 2.120 17 F HA -0.142 4.386 4.527 0.001 0.000 0.300 17 F C 2.105 178.071 175.800 0.277 0.000 1.095 17 F CA 1.178 59.066 58.000 -0.186 0.000 1.249 17 F CB -0.419 38.120 39.000 -0.769 0.000 0.995 17 F HN 0.126 nan 8.300 nan 0.000 0.480 18 F N 0.266 120.335 119.950 0.199 0.000 2.031 18 F HA -0.144 4.384 4.527 0.001 0.000 0.295 18 F C 2.623 178.519 175.800 0.160 0.000 1.133 18 F CA 1.438 59.561 58.000 0.204 0.000 1.188 18 F CB -1.279 37.869 39.000 0.247 0.000 0.974 18 F HN -0.191 nan 8.300 nan 0.000 0.473 19 R N 0.418 121.130 120.500 0.354 0.000 2.139 19 R HA -0.248 4.093 4.340 0.001 0.000 0.243 19 R C 2.066 178.479 176.300 0.189 0.000 1.145 19 R CA 1.747 58.002 56.100 0.259 0.000 0.976 19 R CB -0.506 29.890 30.300 0.160 0.000 0.866 19 R HN 0.233 nan 8.270 nan 0.000 0.449 20 N N -0.136 118.665 118.700 0.167 0.000 2.120 20 N HA -0.224 4.517 4.740 0.001 0.000 0.188 20 N C 1.516 177.116 175.510 0.150 0.000 1.024 20 N CA 1.479 54.604 53.050 0.125 0.000 0.852 20 N CB -0.373 38.169 38.487 0.092 0.000 1.003 20 N HN 0.325 nan 8.380 nan 0.000 0.424 21 Y N 0.142 120.494 120.300 0.086 0.000 2.089 21 Y HA -0.180 4.371 4.550 0.001 0.000 0.282 21 Y C 1.852 177.753 175.900 0.002 0.000 1.139 21 Y CA 1.803 59.891 58.100 -0.021 0.000 1.123 21 Y CB -0.885 37.457 38.460 -0.197 0.000 0.980 21 Y HN 0.171 nan 8.280 nan 0.000 0.493 22 Y N -0.781 119.584 120.300 0.109 0.000 2.465 22 Y HA -0.249 4.301 4.550 0.001 0.000 0.289 22 Y C 2.217 178.069 175.900 -0.079 0.000 1.150 22 Y CA 0.445 58.541 58.100 -0.007 0.000 1.293 22 Y CB -0.123 38.397 38.460 0.100 0.000 0.977 22 Y HN 0.260 nan 8.280 nan 0.000 0.556 23 L N 0.076 121.354 121.223 0.092 0.000 2.313 23 L HA -0.079 4.262 4.340 0.001 0.000 0.214 23 L C 0.819 177.671 176.870 -0.029 0.000 1.119 23 L CA 1.574 56.435 54.840 0.035 0.000 0.809 23 L CB -0.044 42.041 42.059 0.045 0.000 0.933 23 L HN 0.149 nan 8.230 nan 0.000 0.449 24 N N -0.499 118.140 118.700 -0.103 0.000 2.377 24 N HA 0.308 5.049 4.740 0.001 0.000 0.259 24 N C -0.408 174.970 175.510 -0.220 0.000 1.332 24 N CA 0.305 53.281 53.050 -0.123 0.000 0.877 24 N CB 0.953 39.386 38.487 -0.089 0.000 1.299 24 N HN 0.161 nan 8.380 nan 0.000 0.501 25 A N 0.623 123.270 122.820 -0.289 0.000 2.324 25 A HA 0.522 4.843 4.320 0.001 0.000 0.330 25 A C -0.103 177.411 177.584 -0.118 0.000 1.165 25 A CA -0.384 51.444 52.037 -0.349 0.000 0.813 25 A CB 1.340 19.923 19.000 -0.694 0.000 1.197 25 A HN -0.051 nan 8.150 nan 0.000 0.484 26 E N 2.493 122.660 120.200 -0.055 0.000 2.035 26 E HA 0.278 4.629 4.350 0.001 0.000 0.271 26 E C -0.835 175.802 176.600 0.061 0.000 0.953 26 E CA -0.049 56.356 56.400 0.007 0.000 0.777 26 E CB 0.938 30.648 29.700 0.017 0.000 1.104 26 E HN 0.559 nan 8.360 nan 0.000 0.408 27 L N 2.302 123.566 121.223 0.069 0.000 2.360 27 L HA 0.126 4.466 4.340 0.001 0.000 0.276 27 L C 0.967 177.915 176.870 0.131 0.000 1.121 27 L CA -0.078 54.832 54.840 0.118 0.000 0.845 27 L CB 0.480 42.601 42.059 0.103 0.000 1.143 27 L HN 0.257 nan 8.230 nan 0.000 0.452 28 E N 5.032 125.333 120.200 0.168 0.000 1.833 28 E HA 0.127 4.477 4.350 0.001 0.000 0.258 28 E C -0.566 176.149 176.600 0.191 0.000 1.257 28 E CA -0.049 56.459 56.400 0.180 0.000 1.003 28 E CB 0.150 29.985 29.700 0.225 0.000 1.068 28 E HN 0.409 nan 8.360 nan 0.000 0.422 29 L N 4.288 125.596 121.223 0.141 0.000 2.379 29 L HA 0.428 4.769 4.340 0.001 0.000 0.269 29 L C -1.582 175.314 176.870 0.043 0.000 1.084 29 L CA -2.052 52.848 54.840 0.100 0.000 0.802 29 L CB 0.473 42.590 42.059 0.096 0.000 1.175 29 L HN 0.301 nan 8.230 nan 0.000 0.448 30 P HA 0.211 nan 4.420 nan 0.000 0.276 30 P C -0.511 176.790 177.300 0.002 0.000 1.252 30 P CA -0.577 62.504 63.100 -0.032 0.000 0.802 30 P CB 1.082 32.674 31.700 -0.180 0.000 1.035 31 K N 0.235 120.653 120.400 0.029 0.000 2.228 31 K HA -0.049 4.271 4.320 0.001 0.000 0.202 31 K C 0.617 177.219 176.600 0.003 0.000 1.051 31 K CA 1.247 57.536 56.287 0.004 0.000 0.960 31 K CB -0.181 32.298 32.500 -0.034 0.000 0.743 31 K HN 0.531 nan 8.250 nan 0.000 0.458 32 D N 1.219 121.625 120.400 0.010 0.000 2.370 32 D HA -0.064 4.577 4.640 0.001 0.000 0.230 32 D C 1.503 177.806 176.300 0.005 0.000 1.143 32 D CA -0.099 53.905 54.000 0.006 0.000 0.834 32 D CB -0.275 40.534 40.800 0.015 0.000 0.944 32 D HN 0.184 nan 8.370 nan 0.000 0.504 33 M N -0.311 119.298 119.600 0.016 0.000 2.419 33 M HA -0.213 4.267 4.480 0.001 0.000 0.260 33 M C 1.568 177.975 176.300 0.178 0.000 1.073 33 M CA 1.552 56.904 55.300 0.086 0.000 1.056 33 M CB -0.225 32.489 32.600 0.190 0.000 1.394 33 M HN 0.054 nan 8.290 nan 0.000 0.444 34 E N 0.887 121.151 120.200 0.107 0.000 2.347 34 E HA -0.079 4.272 4.350 0.001 0.000 0.196 34 E C 1.481 178.132 176.600 0.085 0.000 1.008 34 E CA 0.683 57.142 56.400 0.099 0.000 0.852 34 E CB -0.018 29.715 29.700 0.056 0.000 0.783 34 E HN 0.750 nan 8.360 nan 0.000 0.505 35 L N 0.305 121.566 121.223 0.064 0.000 2.640 35 L HA 0.265 4.606 4.340 0.001 0.000 0.230 35 L C 0.656 177.587 176.870 0.103 0.000 1.123 35 L CA -0.141 54.737 54.840 0.064 0.000 0.900 35 L CB 0.321 42.384 42.059 0.006 0.000 1.146 35 L HN -0.135 nan 8.230 nan 0.000 0.484 36 R N 0.861 121.405 120.500 0.073 0.000 2.604 36 R HA 0.316 4.657 4.340 0.001 0.000 0.287 36 R C -0.199 176.134 176.300 0.055 0.000 0.970 36 R CA -0.529 55.594 56.100 0.039 0.000 0.946 36 R CB 1.928 32.114 30.300 -0.189 0.000 1.127 36 R HN -0.011 nan 8.270 nan 0.000 0.473 37 E N 2.759 123.023 120.200 0.105 0.000 2.227 37 E HA 0.172 4.523 4.350 0.001 0.000 0.282 37 E C -1.136 175.454 176.600 -0.017 0.000 1.015 37 E CA -0.383 56.066 56.400 0.081 0.000 0.823 37 E CB 0.684 30.422 29.700 0.062 0.000 1.081 37 E HN 0.265 nan 8.360 nan 0.000 0.396 38 F N 2.189 122.231 119.950 0.152 0.000 2.432 38 F HA 0.679 5.207 4.527 0.001 0.000 0.329 38 F C 0.347 176.258 175.800 0.184 0.000 1.076 38 F CA -0.275 57.867 58.000 0.238 0.000 1.018 38 F CB 2.099 41.310 39.000 0.352 0.000 1.201 38 F HN 0.555 nan 8.300 nan 0.000 0.489 39 A N 3.335 126.414 122.820 0.432 0.000 2.555 39 A HA 0.743 5.064 4.320 0.001 0.000 0.297 39 A C -1.689 176.176 177.584 0.468 0.000 1.060 39 A CA -0.681 51.569 52.037 0.355 0.000 0.710 39 A CB 1.442 20.563 19.000 0.201 0.000 1.282 39 A HN 0.866 nan 8.150 nan 0.000 0.399 40 L N -0.774 120.706 121.223 0.429 0.000 2.341 40 L HA 0.832 5.172 4.340 0.001 0.000 0.254 40 L C -0.874 176.165 176.870 0.281 0.000 1.040 40 L CA -0.748 54.287 54.840 0.325 0.000 0.837 40 L CB 2.153 44.319 42.059 0.179 0.000 1.425 40 L HN 0.836 nan 8.230 nan 0.000 0.414 41 Q N 2.519 122.342 119.800 0.037 0.000 2.341 41 Q HA 0.548 4.889 4.340 0.001 0.000 0.268 41 Q C -2.649 173.250 176.000 -0.169 0.000 1.013 41 Q CA -1.932 53.742 55.803 -0.215 0.000 0.798 41 Q CB 2.385 30.889 28.738 -0.391 0.000 1.253 41 Q HN 0.474 nan 8.270 nan 0.000 0.457 42 P HA 0.161 nan 4.420 nan 0.000 0.278 42 P C -0.828 176.410 177.300 -0.103 0.000 1.258 42 P CA -0.316 62.745 63.100 -0.065 0.000 0.811 42 P CB 0.706 32.427 31.700 0.034 0.000 1.063 43 F N 0.056 120.001 119.950 -0.008 0.000 2.518 43 F HA 0.341 4.869 4.527 0.001 0.000 0.359 43 F C 1.988 177.776 175.800 -0.019 0.000 1.118 43 F CA 1.695 59.678 58.000 -0.028 0.000 1.287 43 F CB -0.405 38.572 39.000 -0.038 0.000 1.132 43 F HN 0.688 nan 8.300 nan 0.000 0.587 44 G N 1.569 110.461 108.800 0.154 0.000 2.143 44 G HA2 -0.213 3.747 3.960 0.001 0.000 0.248 44 G HA3 -0.213 3.747 3.960 0.001 0.000 0.248 44 G C -0.064 174.862 174.900 0.044 0.000 0.991 44 G CA 0.164 45.317 45.100 0.087 0.000 0.689 44 G HN 0.868 nan 8.290 nan 0.000 0.522 45 S N -1.340 114.370 115.700 0.016 0.000 2.541 45 S HA 0.589 5.060 4.470 0.001 0.000 0.271 45 S C 0.068 174.638 174.600 -0.050 0.000 1.133 45 S CA 0.012 58.207 58.200 -0.008 0.000 0.876 45 S CB 1.460 64.661 63.200 0.001 0.000 1.105 45 S HN 0.029 nan 8.310 nan 0.000 0.470 46 D N 1.326 121.700 120.400 -0.042 0.000 2.355 46 D HA 0.109 4.750 4.640 0.001 0.000 0.206 46 D C 0.647 176.900 176.300 -0.078 0.000 1.010 46 D CA 0.776 54.737 54.000 -0.065 0.000 0.875 46 D CB 0.132 40.919 40.800 -0.021 0.000 0.966 46 D HN 0.676 nan 8.370 nan 0.000 0.512 47 T N -0.383 114.157 114.554 -0.024 0.000 2.779 47 T HA 0.186 4.537 4.350 0.001 0.000 0.296 47 T C 0.342 175.059 174.700 0.029 0.000 0.938 47 T CA -0.557 61.564 62.100 0.036 0.000 1.119 47 T CB 0.229 69.127 68.868 0.050 0.000 0.891 47 T HN -0.108 nan 8.240 nan 0.000 0.526 48 Y N 1.870 122.193 120.300 0.038 0.000 2.335 48 Y HA 0.367 4.917 4.550 0.001 0.000 0.348 48 Y C 0.713 176.637 175.900 0.039 0.000 1.280 48 Y CA -0.571 57.563 58.100 0.057 0.000 1.504 48 Y CB 0.690 39.182 38.460 0.053 0.000 1.366 48 Y HN 0.439 nan 8.280 nan 0.000 0.621 49 V N 3.722 123.792 119.914 0.259 0.000 2.326 49 V HA 0.459 4.579 4.120 0.001 0.000 0.281 49 V C -0.172 175.994 176.094 0.120 0.000 1.015 49 V CA -0.875 61.523 62.300 0.165 0.000 0.823 49 V CB 0.802 32.748 31.823 0.204 0.000 1.009 49 V HN 0.703 nan 8.190 nan 0.000 0.436 50 R N 1.949 122.403 120.500 -0.076 0.000 2.944 50 R HA 0.638 4.979 4.340 0.001 0.000 0.233 50 R C 0.013 176.128 176.300 -0.309 0.000 1.346 50 R CA -0.944 54.997 56.100 -0.264 0.000 1.082 50 R CB 0.651 30.618 30.300 -0.555 0.000 1.434 50 R HN 0.781 nan 8.270 nan 0.000 0.510 51 H N -1.164 117.913 119.070 0.011 0.000 2.936 51 H HA -0.136 4.421 4.556 0.001 0.000 0.276 51 H C -0.808 174.483 175.328 -0.063 0.000 1.216 51 H CA 0.346 56.370 56.048 -0.040 0.000 1.132 51 H CB -2.157 27.577 29.762 -0.047 0.000 1.303 51 H HN 0.312 nan 8.280 nan 0.000 0.370 52 L N 1.224 122.466 121.223 0.032 0.000 2.312 52 L HA 0.439 4.780 4.340 0.001 0.000 0.281 52 L C 0.750 177.495 176.870 -0.208 0.000 1.070 52 L CA -0.277 54.456 54.840 -0.178 0.000 0.805 52 L CB 1.654 43.645 42.059 -0.114 0.000 1.174 52 L HN 0.312 nan 8.230 nan 0.000 0.434 53 S N 1.996 117.353 115.700 -0.572 0.000 2.538 53 S HA 0.804 5.275 4.470 0.001 0.000 0.288 53 S C -0.999 173.106 174.600 -0.824 0.000 1.108 53 S CA -0.702 57.281 58.200 -0.363 0.000 0.971 53 S CB 1.471 64.598 63.200 -0.122 0.000 1.041 53 S HN 0.340 nan 8.310 nan 0.000 0.483 54 F N 0.976 120.896 119.950 -0.049 0.000 2.578 54 F HA 0.535 5.063 4.527 0.001 0.000 0.311 54 F C 1.141 176.911 175.800 -0.050 0.000 1.094 54 F CA -0.896 56.996 58.000 -0.180 0.000 0.923 54 F CB 2.679 41.391 39.000 -0.479 0.000 1.230 54 F HN 0.754 nan 8.300 nan 0.000 0.450 55 S N -0.812 114.965 115.700 0.128 0.000 2.523 55 S HA 0.298 4.769 4.470 0.001 0.000 0.217 55 S C -0.073 174.564 174.600 0.063 0.000 0.996 55 S CA 0.008 58.259 58.200 0.086 0.000 0.921 55 S CB -0.113 63.118 63.200 0.052 0.000 0.829 55 S HN 0.464 nan 8.310 nan 0.000 0.495 56 S N 1.007 116.737 115.700 0.050 0.000 2.546 56 S HA 0.521 4.991 4.470 0.001 0.000 0.274 56 S C 0.697 175.275 174.600 -0.038 0.000 1.121 56 S CA -0.221 57.987 58.200 0.013 0.000 0.887 56 S CB 1.679 64.886 63.200 0.011 0.000 1.094 56 S HN 0.289 nan 8.310 nan 0.000 0.474 57 S N 0.939 116.616 115.700 -0.039 0.000 2.370 57 S HA -0.223 4.248 4.470 0.001 0.000 0.226 57 S C 1.497 176.030 174.600 -0.110 0.000 1.033 57 S CA 1.700 59.853 58.200 -0.077 0.000 1.011 57 S CB -0.595 62.585 63.200 -0.034 0.000 0.852 57 S HN 0.683 nan 8.310 nan 0.000 0.457 58 E N 1.610 121.771 120.200 -0.065 0.000 2.077 58 E HA -0.103 4.248 4.350 0.001 0.000 0.193 58 E C 2.044 178.601 176.600 -0.072 0.000 0.989 58 E CA 1.553 57.919 56.400 -0.057 0.000 0.800 58 E CB -0.564 29.122 29.700 -0.024 0.000 0.746 58 E HN 0.787 nan 8.360 nan 0.000 0.452 59 E N -0.546 119.621 120.200 -0.056 0.000 2.097 59 E HA -0.228 4.122 4.350 0.001 0.000 0.196 59 E C 2.023 178.519 176.600 -0.174 0.000 1.000 59 E CA 1.186 57.576 56.400 -0.016 0.000 0.804 59 E CB -0.157 29.591 29.700 0.079 0.000 0.740 59 E HN 0.217 nan 8.360 nan 0.000 0.454 60 L N 1.196 122.154 121.223 -0.442 0.000 1.988 60 L HA -0.164 4.176 4.340 0.001 0.000 0.207 60 L C 2.503 179.096 176.870 -0.462 0.000 1.071 60 L CA 1.809 56.098 54.840 -0.919 0.000 0.744 60 L CB -0.608 40.945 42.059 -0.843 0.000 0.893 60 L HN 0.011 nan 8.230 nan 0.000 0.433 61 R N -0.184 120.155 120.500 -0.269 0.000 2.143 61 R HA -0.237 4.104 4.340 0.001 0.000 0.239 61 R C 1.837 178.090 176.300 -0.079 0.000 1.126 61 R CA 2.293 58.306 56.100 -0.146 0.000 0.927 61 R CB -0.793 29.455 30.300 -0.087 0.000 0.860 61 R HN 0.501 nan 8.270 nan 0.000 0.433 62 D N -0.944 119.428 120.400 -0.045 0.000 2.393 62 D HA -0.203 4.437 4.640 0.001 0.000 0.220 62 D C 1.209 177.536 176.300 0.046 0.000 0.974 62 D CA 1.028 55.031 54.000 0.005 0.000 0.931 62 D CB -0.080 40.733 40.800 0.022 0.000 0.889 62 D HN 0.397 nan 8.370 nan 0.000 0.512 63 Y N 0.591 120.819 120.300 -0.121 0.000 2.284 63 Y HA 0.071 4.622 4.550 0.001 0.000 0.293 63 Y C 2.236 178.101 175.900 -0.057 0.000 1.140 63 Y CA 0.394 58.452 58.100 -0.070 0.000 1.153 63 Y CB -0.328 38.055 38.460 -0.128 0.000 1.114 63 Y HN -0.207 nan 8.280 nan 0.000 0.521 64 L N -0.655 120.550 121.223 -0.030 0.000 1.990 64 L HA -0.253 4.087 4.340 0.001 0.000 0.213 64 L C 2.242 179.100 176.870 -0.019 0.000 1.072 64 L CA 1.614 56.415 54.840 -0.065 0.000 0.755 64 L CB -1.061 40.897 42.059 -0.168 0.000 0.889 64 L HN 0.140 nan 8.230 nan 0.000 0.432 65 V N -0.082 119.837 119.914 0.008 0.000 2.379 65 V HA -0.190 3.931 4.120 0.001 0.000 0.245 65 V C 2.145 178.243 176.094 0.005 0.000 1.044 65 V CA 1.750 64.080 62.300 0.051 0.000 1.036 65 V CB -0.523 31.333 31.823 0.055 0.000 0.664 65 V HN 0.467 nan 8.190 nan 0.000 0.453 66 N N -0.195 118.484 118.700 -0.035 0.000 2.278 66 N HA -0.028 4.713 4.740 0.001 0.000 0.181 66 N C 1.959 177.414 175.510 -0.093 0.000 1.023 66 N CA 1.133 54.157 53.050 -0.044 0.000 0.862 66 N CB -0.146 38.329 38.487 -0.019 0.000 1.003 66 N HN 0.401 nan 8.380 nan 0.000 0.431 67 R N 0.220 120.593 120.500 -0.211 0.000 2.074 67 R HA 0.199 4.540 4.340 0.001 0.000 0.218 67 R C -0.358 175.748 176.300 -0.324 0.000 1.137 67 R CA 0.798 56.718 56.100 -0.299 0.000 0.998 67 R CB 0.327 30.367 30.300 -0.434 0.000 0.895 67 R HN 0.114 nan 8.270 nan 0.000 0.442 68 N N 0.530 118.953 118.700 -0.462 0.000 2.621 68 N HA 0.164 4.904 4.740 0.001 0.000 0.271 68 N C -2.015 173.460 175.510 -0.058 0.000 1.181 68 N CA -0.495 52.423 53.050 -0.219 0.000 0.805 68 N CB 1.964 40.331 38.487 -0.200 0.000 1.351 68 N HN -0.035 nan 8.380 nan 0.000 0.539 69 L N 3.630 124.906 121.223 0.087 0.000 2.499 69 L HA 0.269 4.610 4.340 0.001 0.000 0.273 69 L C -2.172 174.865 176.870 0.279 0.000 1.195 69 L CA -0.877 54.121 54.840 0.262 0.000 0.882 69 L CB 0.134 42.434 42.059 0.401 0.000 1.133 69 L HN 0.386 nan 8.230 nan 0.000 0.483 70 P HA 0.113 nan 4.420 nan 0.000 0.301 70 P C 0.039 177.361 177.300 0.038 0.000 1.348 70 P CA -0.605 62.559 63.100 0.107 0.000 0.826 70 P CB 1.685 33.403 31.700 0.029 0.000 0.945 71 L N 4.116 125.071 121.223 -0.446 0.000 2.095 71 L HA 0.145 4.486 4.340 0.001 0.000 0.204 71 L C 0.386 176.897 176.870 -0.600 0.000 1.080 71 L CA 1.820 56.182 54.840 -0.796 0.000 0.759 71 L CB -0.779 40.583 42.059 -1.161 0.000 0.914 71 L HN 0.395 nan 8.230 nan 0.000 0.439 72 H N -0.314 118.607 119.070 -0.248 0.000 2.589 72 H HA 0.610 5.166 4.556 0.001 0.000 0.351 72 H C -1.414 173.606 175.328 -0.513 0.000 1.074 72 H CA -0.808 55.026 56.048 -0.356 0.000 1.203 72 H CB 2.054 31.647 29.762 -0.281 0.000 1.558 72 H HN 0.062 nan 8.280 nan 0.000 0.522 73 L N 4.513 125.355 121.223 -0.635 0.000 2.436 73 L HA 0.547 4.888 4.340 0.001 0.000 0.268 73 L C -1.699 174.746 176.870 -0.708 0.000 0.974 73 L CA -0.425 54.079 54.840 -0.559 0.000 0.826 73 L CB 1.138 43.082 42.059 -0.191 0.000 1.291 73 L HN 0.526 nan 8.230 nan 0.000 0.406 74 F N 2.586 122.618 119.950 0.136 0.000 2.789 74 F HA 0.712 5.240 4.527 0.001 0.000 0.319 74 F C -1.324 174.502 175.800 0.043 0.000 1.168 74 F CA -1.204 56.795 58.000 -0.002 0.000 0.934 74 F CB 1.322 40.241 39.000 -0.136 0.000 1.375 74 F HN 0.459 nan 8.300 nan 0.000 0.480 75 Y N -0.459 119.909 120.300 0.114 0.000 2.512 75 Y HA 0.700 5.250 4.550 0.001 0.000 0.348 75 Y C -0.274 175.521 175.900 -0.175 0.000 0.990 75 Y CA -1.913 56.028 58.100 -0.266 0.000 1.033 75 Y CB 0.806 38.822 38.460 -0.741 0.000 1.259 75 Y HN 0.789 nan 8.280 nan 0.000 0.461 76 S N 0.721 116.466 115.700 0.076 0.000 2.566 76 S HA 0.085 4.556 4.470 0.001 0.000 0.280 76 S C 0.947 175.639 174.600 0.153 0.000 1.343 76 S CA 0.087 58.341 58.200 0.089 0.000 1.036 76 S CB 0.695 64.022 63.200 0.212 0.000 0.866 76 S HN 1.226 nan 8.310 nan 0.000 0.526 77 S N 1.199 116.926 115.700 0.045 0.000 2.503 77 S HA 0.392 4.863 4.470 0.001 0.000 0.217 77 S C 0.723 175.339 174.600 0.027 0.000 0.999 77 S CA -0.064 58.157 58.200 0.035 0.000 0.914 77 S CB -0.476 62.694 63.200 -0.049 0.000 0.782 77 S HN 1.191 nan 8.310 nan 0.000 0.520 78 A N 1.489 124.329 122.820 0.034 0.000 2.279 78 A HA 0.802 5.122 4.320 0.001 0.000 0.303 78 A C -0.103 177.292 177.584 -0.315 0.000 1.108 78 A CA -0.976 51.027 52.037 -0.057 0.000 0.830 78 A CB 0.661 19.705 19.000 0.074 0.000 1.106 78 A HN 0.513 nan 8.150 nan 0.000 0.493 79 R N -0.178 120.001 120.500 -0.535 0.000 2.637 79 R HA 0.636 4.977 4.340 0.001 0.000 0.291 79 R C -1.738 174.183 176.300 -0.632 0.000 0.963 79 R CA -0.284 55.557 56.100 -0.432 0.000 0.901 79 R CB 1.424 31.571 30.300 -0.256 0.000 1.160 79 R HN 0.701 nan 8.270 nan 0.000 0.457 80 Y N -0.231 120.059 120.300 -0.016 0.000 2.602 80 Y HA 0.234 4.785 4.550 0.001 0.000 0.342 80 Y C 1.110 177.001 175.900 -0.015 0.000 1.029 80 Y CA -1.109 56.992 58.100 0.003 0.000 1.080 80 Y CB 1.654 40.143 38.460 0.048 0.000 1.284 80 Y HN 0.469 nan 8.280 nan 0.000 0.485 81 Q N 0.618 120.512 119.800 0.156 0.000 2.230 81 Q HA 0.133 4.473 4.340 0.001 0.000 0.202 81 Q C -0.523 175.523 176.000 0.076 0.000 0.963 81 Q CA 1.050 56.899 55.803 0.076 0.000 0.866 81 Q CB 0.342 29.110 28.738 0.049 0.000 0.931 81 Q HN 0.474 nan 8.270 nan 0.000 0.452 82 L N 0.487 121.770 121.223 0.100 0.000 2.489 82 L HA 0.267 4.607 4.340 0.001 0.000 0.257 82 L C -2.243 174.628 176.870 0.000 0.000 1.215 82 L CA -1.468 53.394 54.840 0.037 0.000 0.915 82 L CB 1.626 43.684 42.059 -0.000 0.000 1.146 82 L HN -0.167 nan 8.230 nan 0.000 0.494 83 P HA -0.157 nan 4.420 nan 0.000 0.219 83 P C 1.490 178.728 177.300 -0.103 0.000 1.146 83 P CA 1.113 64.194 63.100 -0.032 0.000 0.808 83 P CB 0.308 32.069 31.700 0.101 0.000 0.779 84 S N -1.810 113.848 115.700 -0.070 0.000 2.558 84 S HA 0.273 4.744 4.470 0.001 0.000 0.217 84 S C 1.087 175.589 174.600 -0.164 0.000 0.975 84 S CA -0.137 58.018 58.200 -0.075 0.000 0.912 84 S CB -0.923 62.241 63.200 -0.060 0.000 0.776 84 S HN 0.109 nan 8.310 nan 0.000 0.526 85 A N 1.816 124.530 122.820 -0.176 0.000 2.507 85 A HA 0.369 4.690 4.320 0.001 0.000 0.235 85 A C 1.308 178.687 177.584 -0.342 0.000 1.070 85 A CA -0.206 51.712 52.037 -0.197 0.000 0.768 85 A CB 0.173 19.089 19.000 -0.141 0.000 1.011 85 A HN 0.554 nan 8.150 nan 0.000 0.502 86 R N 0.405 120.718 120.500 -0.311 0.000 2.090 86 R HA 0.014 4.355 4.340 0.001 0.000 0.219 86 R C 0.054 176.201 176.300 -0.255 0.000 1.100 86 R CA 0.553 56.413 56.100 -0.401 0.000 0.991 86 R CB -0.116 30.022 30.300 -0.269 0.000 0.893 86 R HN 0.770 nan 8.270 nan 0.000 0.443 87 N N 0.338 118.943 118.700 -0.158 0.000 2.463 87 N HA 0.062 4.802 4.740 0.001 0.000 0.270 87 N C 0.641 176.095 175.510 -0.092 0.000 1.205 87 N CA -0.120 52.869 53.050 -0.100 0.000 0.974 87 N CB 0.786 39.234 38.487 -0.065 0.000 1.197 87 N HN -0.059 nan 8.380 nan 0.000 0.504 88 M N 0.713 120.280 119.600 -0.055 0.000 2.506 88 M HA 0.006 4.487 4.480 0.001 0.000 0.260 88 M C 0.958 177.273 176.300 0.025 0.000 1.104 88 M CA 1.110 56.397 55.300 -0.021 0.000 1.112 88 M CB -0.266 32.328 32.600 -0.010 0.000 1.401 88 M HN 0.534 nan 8.290 nan 0.000 0.473 89 E N -0.220 119.984 120.200 0.008 0.000 2.158 89 E HA -0.152 4.199 4.350 0.001 0.000 0.191 89 E C 1.625 178.242 176.600 0.028 0.000 0.982 89 E CA 0.817 57.232 56.400 0.025 0.000 0.823 89 E CB 0.153 29.859 29.700 0.009 0.000 0.766 89 E HN 0.577 nan 8.360 nan 0.000 0.468 90 E N 0.943 121.143 120.200 -0.000 0.000 2.076 90 E HA -0.100 4.251 4.350 0.001 0.000 0.190 90 E C 1.875 178.481 176.600 0.010 0.000 0.979 90 E CA 0.554 56.950 56.400 -0.007 0.000 0.807 90 E CB 0.100 29.774 29.700 -0.042 0.000 0.761 90 E HN 0.084 nan 8.360 nan 0.000 0.454 91 K N 0.443 120.840 120.400 -0.005 0.000 2.089 91 K HA -0.131 4.190 4.320 0.001 0.000 0.210 91 K C 0.666 177.392 176.600 0.210 0.000 1.048 91 K CA 0.917 57.215 56.287 0.018 0.000 0.926 91 K CB -0.230 32.179 32.500 -0.152 0.000 0.714 91 K HN 0.165 nan 8.250 nan 0.000 0.448 92 A N 0.820 123.775 122.820 0.226 0.000 2.514 92 A HA -0.154 4.167 4.320 0.001 0.000 0.290 92 A C -0.361 177.391 177.584 0.280 0.000 1.435 92 A CA 0.383 52.547 52.037 0.212 0.000 0.728 92 A CB -2.337 16.733 19.000 0.117 0.000 1.128 92 A HN 0.488 nan 8.150 nan 0.000 0.394 93 W N 2.332 123.722 121.300 0.150 0.000 2.391 93 W HA 0.381 5.042 4.660 0.001 0.000 0.339 93 W C 0.982 177.448 176.519 -0.089 0.000 1.252 93 W CA 1.258 58.577 57.345 -0.044 0.000 1.304 93 W CB 0.126 29.565 29.460 -0.034 0.000 1.179 93 W HN 0.562 nan 8.180 nan 0.000 0.567 94 M N 6.533 125.633 119.600 -0.834 0.000 2.504 94 M HA 0.320 4.801 4.480 0.001 0.000 0.370 94 M C 0.546 176.166 176.300 -1.132 0.000 1.110 94 M CA 0.433 55.292 55.300 -0.735 0.000 0.938 94 M CB 0.159 32.523 32.600 -0.394 0.000 1.460 94 M HN 0.676 nan 8.290 nan 0.000 0.535 95 G N 1.191 108.585 108.800 -2.343 0.000 2.570 95 G HA2 0.007 3.968 3.960 0.001 0.000 0.686 95 G HA3 0.007 3.968 3.960 0.001 0.000 0.686 95 G C -0.819 173.626 174.900 -0.758 0.000 1.257 95 G CA -0.489 43.581 45.100 -1.718 0.000 0.846 95 G HN 0.473 nan 8.290 nan 0.000 0.627 96 S N -0.137 115.497 115.700 -0.110 0.000 2.550 96 S HA 0.709 5.180 4.470 0.001 0.000 0.270 96 S C -0.580 174.005 174.600 -0.024 0.000 1.145 96 S CA -0.630 57.579 58.200 0.016 0.000 0.852 96 S CB 2.224 65.570 63.200 0.243 0.000 1.119 96 S HN 0.852 nan 8.310 nan 0.000 0.465 97 D N 0.325 120.679 120.400 -0.076 0.000 2.300 97 D HA 0.167 4.808 4.640 0.001 0.000 0.235 97 D C -0.415 175.825 176.300 -0.099 0.000 1.338 97 D CA 0.113 54.047 54.000 -0.110 0.000 0.903 97 D CB 0.268 41.005 40.800 -0.105 0.000 1.180 97 D HN 0.424 nan 8.370 nan 0.000 0.485 98 L N 0.844 121.997 121.223 -0.117 0.000 2.325 98 L HA 0.353 4.694 4.340 0.001 0.000 0.281 98 L C -1.132 175.596 176.870 -0.236 0.000 1.004 98 L CA -0.351 54.380 54.840 -0.182 0.000 0.823 98 L CB 0.924 42.902 42.059 -0.135 0.000 1.236 98 L HN 0.209 nan 8.230 nan 0.000 0.415 99 L N 5.110 126.091 121.223 -0.404 0.000 2.334 99 L HA 0.623 4.964 4.340 0.001 0.000 0.276 99 L C -1.078 175.396 176.870 -0.660 0.000 1.014 99 L CA -0.464 54.163 54.840 -0.356 0.000 0.815 99 L CB 1.643 43.563 42.059 -0.232 0.000 1.268 99 L HN 0.425 nan 8.230 nan 0.000 0.428 100 F N 0.304 120.258 119.950 0.007 0.000 2.565 100 F HA 0.477 5.005 4.527 0.001 0.000 0.313 100 F C -0.511 175.336 175.800 0.078 0.000 1.091 100 F CA -0.664 57.352 58.000 0.027 0.000 0.915 100 F CB 2.202 41.217 39.000 0.025 0.000 1.208 100 F HN 0.330 nan 8.300 nan 0.000 0.453 101 D N 2.786 123.340 120.400 0.256 0.000 2.736 101 D HA 0.297 4.937 4.640 0.001 0.000 0.243 101 D C -0.860 175.532 176.300 0.154 0.000 1.304 101 D CA -0.374 53.771 54.000 0.242 0.000 0.934 101 D CB 1.318 42.252 40.800 0.225 0.000 1.382 101 D HN 0.216 nan 8.370 nan 0.000 0.571 102 I N 2.504 123.145 120.570 0.118 0.000 2.742 102 I HA -0.000 4.170 4.170 0.001 0.000 0.287 102 I C 0.748 176.878 176.117 0.021 0.000 1.186 102 I CA 0.275 61.615 61.300 0.066 0.000 1.417 102 I CB 0.030 38.069 38.000 0.064 0.000 1.377 102 I HN 0.396 nan 8.210 nan 0.000 0.556 103 D N 6.277 126.685 120.400 0.013 0.000 2.416 103 D HA 0.249 4.890 4.640 0.001 0.000 0.240 103 D C 0.938 177.213 176.300 -0.043 0.000 1.250 103 D CA 0.021 53.992 54.000 -0.049 0.000 0.967 103 D CB 1.012 41.766 40.800 -0.076 0.000 1.059 103 D HN 0.644 nan 8.370 nan 0.000 0.512 104 A N 3.602 126.385 122.820 -0.061 0.000 2.067 104 A HA -0.103 4.218 4.320 0.001 0.000 0.217 104 A C 1.657 179.222 177.584 -0.032 0.000 1.156 104 A CA 0.610 52.620 52.037 -0.044 0.000 0.683 104 A CB 0.122 19.078 19.000 -0.074 0.000 0.808 104 A HN 0.428 nan 8.150 nan 0.000 0.455 105 D N -0.711 119.635 120.400 -0.090 0.000 2.350 105 D HA -0.079 4.562 4.640 0.001 0.000 0.216 105 D C 0.415 176.771 176.300 0.092 0.000 0.968 105 D CA 1.039 54.996 54.000 -0.072 0.000 0.894 105 D CB -0.197 40.486 40.800 -0.193 0.000 0.909 105 D HN 0.779 nan 8.370 nan 0.000 0.520 106 H N -1.356 117.716 119.070 0.003 0.000 2.885 106 H HA 0.161 4.718 4.556 0.001 0.000 0.254 106 H C 1.070 176.402 175.328 0.008 0.000 1.185 106 H CA -0.283 55.769 56.048 0.006 0.000 1.029 106 H CB 1.115 30.882 29.762 0.008 0.000 1.743 106 H HN -0.053 nan 8.280 nan 0.000 0.632 107 L N -0.313 120.975 121.223 0.109 0.000 2.586 107 L HA 0.133 4.474 4.340 0.001 0.000 0.204 107 L C 1.438 178.336 176.870 0.047 0.000 1.053 107 L CA 0.981 55.861 54.840 0.066 0.000 0.856 107 L CB 0.389 42.474 42.059 0.044 0.000 1.192 107 L HN 0.269 nan 8.230 nan 0.000 0.484 108 c N -1.396 117.227 118.600 0.038 0.000 2.935 108 c HA 0.383 4.953 4.570 0.001 0.000 0.308 108 c C 0.861 174.972 174.090 0.035 0.000 1.263 108 c CA -0.794 55.555 56.329 0.033 0.000 1.738 108 c CB -0.628 41.895 42.510 0.023 0.000 2.237 108 c HN 0.477 nan 8.230 nan 0.000 0.600 109 K N 1.079 121.502 120.400 0.038 0.000 3.939 109 K HA -0.142 4.178 4.320 0.001 0.000 0.281 109 K C -0.589 176.029 176.600 0.030 0.000 0.981 109 K CA 0.028 56.337 56.287 0.036 0.000 0.833 109 K CB -1.351 31.169 32.500 0.034 0.000 1.501 109 K HN 0.615 nan 8.250 nan 0.000 0.445 110 L N 1.290 122.526 121.223 0.021 0.000 2.453 110 L HA 0.250 4.591 4.340 0.001 0.000 0.261 110 L C 1.101 177.974 176.870 0.006 0.000 1.179 110 L CA -0.444 54.404 54.840 0.013 0.000 0.813 110 L CB 0.467 42.523 42.059 -0.005 0.000 1.110 110 L HN 0.230 nan 8.230 nan 0.000 0.466 111 R N 1.047 121.550 120.500 0.005 0.000 2.234 111 R HA 0.259 4.600 4.340 0.001 0.000 0.324 111 R C -0.235 176.049 176.300 -0.026 0.000 1.054 111 R CA -0.215 55.894 56.100 0.015 0.000 0.912 111 R CB 1.122 31.453 30.300 0.052 0.000 1.030 111 R HN 0.760 nan 8.270 nan 0.000 0.455 112 S N 2.816 118.520 115.700 0.007 0.000 2.689 112 S HA 0.762 5.233 4.470 0.001 0.000 0.306 112 S C -0.235 174.424 174.600 0.098 0.000 1.104 112 S CA -0.823 57.383 58.200 0.010 0.000 0.973 112 S CB 1.499 64.702 63.200 0.006 0.000 1.121 112 S HN 0.470 nan 8.310 nan 0.000 0.523 113 I N 0.494 121.163 120.570 0.166 0.000 2.690 113 I HA 0.381 4.551 4.170 0.001 0.000 0.286 113 I C -0.556 175.735 176.117 0.289 0.000 1.313 113 I CA -0.409 61.029 61.300 0.229 0.000 1.070 113 I CB 2.062 40.236 38.000 0.291 0.000 1.323 113 I HN 0.705 nan 8.210 nan 0.000 0.432 114 R N 6.456 127.067 120.500 0.186 0.000 2.312 114 R HA 0.791 5.131 4.340 0.001 0.000 0.311 114 R C -1.313 175.085 176.300 0.163 0.000 1.004 114 R CA -0.225 55.930 56.100 0.092 0.000 0.902 114 R CB 1.024 31.326 30.300 0.003 0.000 1.073 114 R HN 0.591 nan 8.270 nan 0.000 0.457 115 F N 1.326 121.279 119.950 0.005 0.000 3.049 115 F HA 0.589 5.116 4.527 0.001 0.000 0.329 115 F C -1.404 174.369 175.800 -0.046 0.000 1.208 115 F CA -1.430 56.564 58.000 -0.010 0.000 0.956 115 F CB 0.754 39.755 39.000 0.001 0.000 1.469 115 F HN 0.388 nan 8.300 nan 0.000 0.516 116 C N 3.156 122.616 119.300 0.266 0.000 2.322 116 C HA 0.549 5.010 4.460 0.001 0.000 0.324 116 C C -1.462 173.683 174.990 0.259 0.000 1.249 116 C CA -2.149 56.915 59.018 0.076 0.000 1.453 116 C CB 0.944 28.715 27.740 0.052 0.000 2.145 116 C HN 0.649 nan 8.230 nan 0.000 0.466 117 P HA -0.120 nan 4.420 nan 0.000 0.219 117 P C 1.442 178.836 177.300 0.157 0.000 1.146 117 P CA 1.476 64.527 63.100 -0.083 0.000 0.808 117 P CB 0.088 31.400 31.700 -0.648 0.000 0.779 118 V N 1.271 121.243 119.914 0.097 0.000 2.232 118 V HA -0.210 3.910 4.120 0.001 0.000 0.239 118 V C 2.896 179.052 176.094 0.103 0.000 1.040 118 V CA 2.375 64.737 62.300 0.104 0.000 0.996 118 V CB -1.782 30.075 31.823 0.057 0.000 0.638 118 V HN 0.264 nan 8.190 nan 0.000 0.453 119 C N 0.302 119.651 119.300 0.082 0.000 2.618 119 C HA 0.563 5.024 4.460 0.001 0.000 0.264 119 C C 2.002 177.035 174.990 0.071 0.000 1.334 119 C CA -0.352 58.705 59.018 0.065 0.000 1.731 119 C CB -0.847 26.922 27.740 0.049 0.000 1.852 119 C HN 1.073 nan 8.230 nan 0.000 0.566 120 G N 1.599 110.465 108.800 0.111 0.000 2.168 120 G HA2 -0.258 3.703 3.960 0.001 0.000 0.257 120 G HA3 -0.258 3.703 3.960 0.001 0.000 0.257 120 G C -0.336 174.606 174.900 0.070 0.000 0.997 120 G CA 0.447 45.594 45.100 0.079 0.000 0.708 120 G HN 0.613 nan 8.290 nan 0.000 0.520 121 N N 0.796 119.557 118.700 0.102 0.000 2.488 121 N HA 0.584 5.325 4.740 0.001 0.000 0.274 121 N C 0.504 176.094 175.510 0.134 0.000 1.111 121 N CA 0.601 53.703 53.050 0.087 0.000 0.974 121 N CB 1.204 39.728 38.487 0.063 0.000 1.089 121 N HN 0.668 nan 8.380 nan 0.000 0.465 122 A N 2.318 125.207 122.820 0.115 0.000 2.491 122 A HA 0.344 4.664 4.320 0.001 0.000 0.261 122 A C -0.044 177.599 177.584 0.099 0.000 1.101 122 A CA -0.117 52.005 52.037 0.141 0.000 0.772 122 A CB -0.033 19.031 19.000 0.106 0.000 1.043 122 A HN 0.422 nan 8.150 nan 0.000 0.501 123 V N 3.316 123.286 119.914 0.094 0.000 2.864 123 V HA 0.280 4.401 4.120 0.001 0.000 0.314 123 V C 0.957 177.069 176.094 0.030 0.000 1.073 123 V CA -0.451 61.877 62.300 0.046 0.000 0.956 123 V CB 1.937 33.773 31.823 0.023 0.000 1.023 123 V HN 0.693 nan 8.190 nan 0.000 0.435 124 V N 0.954 120.879 119.914 0.019 0.000 2.685 124 V HA 0.000 4.121 4.120 0.001 0.000 0.244 124 V C 1.356 177.449 176.094 -0.002 0.000 1.054 124 V CA 1.077 63.385 62.300 0.012 0.000 1.076 124 V CB 0.044 31.875 31.823 0.014 0.000 0.725 124 V HN 0.950 nan 8.190 nan 0.000 0.467 125 S N 0.646 116.342 115.700 -0.006 0.000 2.641 125 S HA 0.083 4.554 4.470 0.001 0.000 0.251 125 S C 0.736 175.317 174.600 -0.031 0.000 1.332 125 S CA -0.070 58.121 58.200 -0.015 0.000 0.968 125 S CB 0.520 63.713 63.200 -0.012 0.000 0.987 125 S HN 0.492 nan 8.310 nan 0.000 0.587 126 E N -0.268 119.912 120.200 -0.034 0.000 2.481 126 E HA 0.200 4.550 4.350 0.001 0.000 0.198 126 E C -0.386 176.182 176.600 -0.054 0.000 1.027 126 E CA 0.190 56.561 56.400 -0.048 0.000 0.900 126 E CB 0.301 29.978 29.700 -0.038 0.000 0.993 126 E HN 0.443 nan 8.360 nan 0.000 0.482 127 K N 0.407 120.782 120.400 -0.041 0.000 2.501 127 K HA 0.282 4.603 4.320 0.001 0.000 0.252 127 K C -1.375 175.208 176.600 -0.028 0.000 0.934 127 K CA -0.611 55.653 56.287 -0.038 0.000 0.797 127 K CB 2.514 34.997 32.500 -0.027 0.000 1.270 127 K HN -0.053 nan 8.250 nan 0.000 0.431 128 C N 3.373 122.656 119.300 -0.028 0.000 2.394 128 C HA 0.178 4.639 4.460 0.001 0.000 0.362 128 C C 1.474 176.460 174.990 -0.006 0.000 1.268 128 C CA -0.074 58.936 59.018 -0.013 0.000 1.828 128 C CB -0.611 27.123 27.740 -0.010 0.000 2.442 128 C HN 0.899 nan 8.230 nan 0.000 0.549 129 E N 3.163 123.362 120.200 -0.001 0.000 1.998 129 E HA -0.182 4.168 4.350 0.001 0.000 0.196 129 E C 2.149 178.751 176.600 0.003 0.000 1.003 129 E CA 1.478 57.879 56.400 0.001 0.000 0.829 129 E CB -0.116 29.586 29.700 0.003 0.000 0.777 129 E HN 0.720 nan 8.360 nan 0.000 0.460 130 R N 0.767 121.271 120.500 0.007 0.000 2.136 130 R HA -0.189 4.151 4.340 0.001 0.000 0.242 130 R C 1.846 178.151 176.300 0.009 0.000 1.131 130 R CA 1.939 58.044 56.100 0.009 0.000 0.937 130 R CB -0.341 29.966 30.300 0.012 0.000 0.863 130 R HN 0.266 nan 8.270 nan 0.000 0.435 131 D N -0.117 120.289 120.400 0.010 0.000 2.355 131 D HA -0.062 4.579 4.640 0.001 0.000 0.218 131 D C -0.034 176.268 176.300 0.004 0.000 1.004 131 D CA 0.176 54.182 54.000 0.010 0.000 0.880 131 D CB -0.414 40.395 40.800 0.016 0.000 0.911 131 D HN 0.128 nan 8.370 nan 0.000 0.528 132 N N 0.677 119.377 118.700 -0.000 0.000 2.650 132 N HA -0.198 4.543 4.740 0.001 0.000 0.272 132 N C -1.307 174.198 175.510 -0.009 0.000 1.058 132 N CA 0.270 53.318 53.050 -0.004 0.000 0.765 132 N CB -1.038 37.448 38.487 -0.001 0.000 0.902 132 N HN -0.039 nan 8.380 nan 0.000 0.551 133 V N 0.434 120.338 119.914 -0.018 0.000 3.226 133 V HA 0.421 4.541 4.120 0.001 0.000 0.304 133 V C 0.107 176.173 176.094 -0.047 0.000 1.336 133 V CA -1.027 61.256 62.300 -0.029 0.000 1.066 133 V CB 1.977 33.782 31.823 -0.030 0.000 1.087 133 V HN 0.275 nan 8.190 nan 0.000 0.451 134 E N 0.852 121.014 120.200 -0.064 0.000 2.283 134 E HA 0.529 4.879 4.350 0.001 0.000 0.271 134 E C -0.593 175.923 176.600 -0.140 0.000 1.031 134 E CA -0.371 55.978 56.400 -0.085 0.000 0.868 134 E CB 1.562 31.217 29.700 -0.075 0.000 1.094 134 E HN 0.863 nan 8.360 nan 0.000 0.401 135 T N 0.107 114.565 114.554 -0.160 0.000 2.875 135 T HA 0.535 4.885 4.350 0.001 0.000 0.284 135 T C -0.011 174.486 174.700 -0.339 0.000 0.995 135 T CA -0.779 61.165 62.100 -0.260 0.000 1.060 135 T CB 0.511 69.262 68.868 -0.195 0.000 0.967 135 T HN 0.211 nan 8.240 nan 0.000 0.476 136 L N 1.547 122.409 121.223 -0.602 0.000 2.334 136 L HA 0.661 5.002 4.340 0.001 0.000 0.270 136 L C 0.309 176.815 176.870 -0.607 0.000 1.018 136 L CA -0.992 53.514 54.840 -0.556 0.000 0.811 136 L CB 1.727 43.431 42.059 -0.590 0.000 1.271 136 L HN 0.778 nan 8.230 nan 0.000 0.443 137 E N 0.577 120.633 120.200 -0.240 0.000 2.238 137 E HA 0.307 4.658 4.350 0.001 0.000 0.267 137 E C -1.936 174.763 176.600 0.164 0.000 0.887 137 E CA -0.690 55.692 56.400 -0.029 0.000 0.769 137 E CB 2.047 31.739 29.700 -0.014 0.000 1.187 137 E HN 0.428 nan 8.360 nan 0.000 0.416 138 Y N 3.633 124.045 120.300 0.187 0.000 2.377 138 Y HA 0.522 5.073 4.550 0.001 0.000 0.339 138 Y C -1.605 174.372 175.900 0.129 0.000 1.011 138 Y CA -0.741 57.471 58.100 0.186 0.000 1.093 138 Y CB 1.405 40.022 38.460 0.262 0.000 1.201 138 Y HN 0.249 nan 8.280 nan 0.000 0.455 139 V N 6.683 126.211 119.914 -0.643 0.000 2.349 139 V HA 0.193 4.313 4.120 0.001 0.000 0.284 139 V C -0.311 175.320 176.094 -0.772 0.000 1.014 139 V CA -1.040 60.914 62.300 -0.576 0.000 0.826 139 V CB 1.254 32.952 31.823 -0.209 0.000 1.009 139 V HN 0.801 nan 8.190 nan 0.000 0.431 140 E N 4.486 124.262 120.200 -0.707 0.000 2.328 140 E HA 0.140 4.491 4.350 0.001 0.000 0.265 140 E C -0.436 176.158 176.600 -0.010 0.000 1.057 140 E CA -0.525 55.718 56.400 -0.262 0.000 0.916 140 E CB 0.845 30.552 29.700 0.013 0.000 0.993 140 E HN 0.610 nan 8.360 nan 0.000 0.446 141 M N 5.026 124.711 119.600 0.142 0.000 2.069 141 M HA 0.128 4.609 4.480 0.001 0.000 0.349 141 M C -0.503 176.017 176.300 0.366 0.000 1.194 141 M CA -0.314 55.136 55.300 0.251 0.000 1.081 141 M CB 0.771 33.604 32.600 0.388 0.000 1.500 141 M HN 0.296 nan 8.290 nan 0.000 0.438 142 T N 1.285 116.001 114.554 0.270 0.000 2.882 142 T HA 0.382 4.733 4.350 0.001 0.000 0.287 142 T C 1.096 176.045 174.700 0.415 0.000 1.014 142 T CA -0.182 62.094 62.100 0.295 0.000 1.049 142 T CB 0.750 69.716 68.868 0.163 0.000 1.001 142 T HN 0.781 nan 8.240 nan 0.000 0.525 143 S N -0.240 115.723 115.700 0.439 0.000 2.461 143 S HA -0.069 4.401 4.470 0.001 0.000 0.228 143 S C 1.730 176.425 174.600 0.158 0.000 1.005 143 S CA 0.648 59.112 58.200 0.441 0.000 0.942 143 S CB -0.568 62.893 63.200 0.435 0.000 0.776 143 S HN 0.870 nan 8.310 nan 0.000 0.514 144 E N 0.482 120.760 120.200 0.129 0.000 2.072 144 E HA -0.155 4.196 4.350 0.001 0.000 0.190 144 E C 2.189 178.818 176.600 0.049 0.000 0.982 144 E CA 1.153 57.602 56.400 0.081 0.000 0.803 144 E CB -0.326 29.419 29.700 0.075 0.000 0.755 144 E HN 0.637 nan 8.360 nan 0.000 0.453 145 c N 0.798 119.421 118.600 0.037 0.000 2.409 145 c HA -0.069 4.502 4.570 0.001 0.000 0.284 145 c C 2.310 176.375 174.090 -0.041 0.000 1.354 145 c CA 0.300 56.631 56.329 0.003 0.000 1.787 145 c CB -1.046 41.467 42.510 0.004 0.000 1.900 145 c HN 0.485 nan 8.230 nan 0.000 0.520 146 I N 0.441 120.951 120.570 -0.101 0.000 2.716 146 I HA -0.039 4.132 4.170 0.001 0.000 0.259 146 I C 2.428 178.595 176.117 0.083 0.000 1.172 146 I CA 1.164 62.401 61.300 -0.105 0.000 1.478 146 I CB -0.843 36.926 38.000 -0.385 0.000 1.104 146 I HN 0.465 nan 8.210 nan 0.000 0.439 147 K N 0.673 121.114 120.400 0.068 0.000 2.103 147 K HA -0.059 4.262 4.320 0.001 0.000 0.204 147 K C 2.203 178.837 176.600 0.057 0.000 1.052 147 K CA 0.785 57.121 56.287 0.081 0.000 0.945 147 K CB -0.080 32.464 32.500 0.072 0.000 0.722 147 K HN 0.158 nan 8.250 nan 0.000 0.443 148 R N 0.205 120.733 120.500 0.047 0.000 2.120 148 R HA -0.101 4.240 4.340 0.001 0.000 0.234 148 R C 2.309 178.634 176.300 0.041 0.000 1.123 148 R CA 1.395 57.518 56.100 0.038 0.000 0.975 148 R CB -0.234 30.086 30.300 0.033 0.000 0.866 148 R HN 0.330 nan 8.270 nan 0.000 0.446 149 G N 0.197 109.038 108.800 0.069 0.000 2.492 149 G HA2 -0.165 3.796 3.960 0.001 0.000 0.214 149 G HA3 -0.165 3.796 3.960 0.001 0.000 0.214 149 G C 1.219 176.160 174.900 0.068 0.000 1.147 149 G CA -0.166 44.998 45.100 0.106 0.000 0.809 149 G HN 0.144 nan 8.290 nan 0.000 0.533 150 L N 0.827 122.076 121.223 0.044 0.000 2.191 150 L HA 0.070 4.411 4.340 0.001 0.000 0.212 150 L C 2.514 179.296 176.870 -0.146 0.000 1.103 150 L CA 1.580 56.307 54.840 -0.188 0.000 0.769 150 L CB -0.329 41.679 42.059 -0.085 0.000 0.908 150 L HN 0.335 nan 8.230 nan 0.000 0.438 151 E N -1.203 118.963 120.200 -0.056 0.000 2.006 151 E HA -0.224 4.127 4.350 0.001 0.000 0.192 151 E C 2.070 178.637 176.600 -0.056 0.000 0.993 151 E CA 1.224 57.598 56.400 -0.045 0.000 0.808 151 E CB -0.236 29.458 29.700 -0.010 0.000 0.764 151 E HN 0.472 nan 8.360 nan 0.000 0.449 152 Q N 0.218 119.998 119.800 -0.032 0.000 2.096 152 Q HA -0.223 4.117 4.340 0.001 0.000 0.208 152 Q C 2.538 178.498 176.000 -0.066 0.000 0.993 152 Q CA 2.309 58.097 55.803 -0.026 0.000 0.862 152 Q CB -1.217 27.524 28.738 0.005 0.000 0.915 152 Q HN 0.502 nan 8.270 nan 0.000 0.416 153 T N -1.197 113.289 114.554 -0.113 0.000 2.737 153 T HA -0.184 4.166 4.350 0.001 0.000 0.269 153 T C 1.924 176.525 174.700 -0.165 0.000 1.040 153 T CA 1.335 63.333 62.100 -0.171 0.000 1.142 153 T CB -0.197 68.458 68.868 -0.356 0.000 0.861 153 T HN 0.228 nan 8.240 nan 0.000 0.456 154 R N 1.252 121.659 120.500 -0.156 0.000 2.070 154 R HA -0.058 4.283 4.340 0.001 0.000 0.233 154 R C 2.630 178.867 176.300 -0.104 0.000 1.137 154 R CA 1.783 57.807 56.100 -0.126 0.000 0.945 154 R CB -0.425 29.813 30.300 -0.103 0.000 0.845 154 R HN 0.460 nan 8.270 nan 0.000 0.430 155 N N 1.073 119.720 118.700 -0.087 0.000 2.043 155 N HA -0.192 4.549 4.740 0.001 0.000 0.193 155 N C 1.750 177.190 175.510 -0.117 0.000 1.037 155 N CA 0.988 53.986 53.050 -0.086 0.000 0.851 155 N CB -0.544 37.917 38.487 -0.044 0.000 1.027 155 N HN 0.105 nan 8.380 nan 0.000 0.422 156 L N 0.870 122.024 121.223 -0.115 0.000 2.042 156 L HA -0.081 4.259 4.340 0.001 0.000 0.210 156 L C 1.986 178.751 176.870 -0.175 0.000 1.076 156 L CA 1.293 56.035 54.840 -0.163 0.000 0.749 156 L CB -0.473 41.484 42.059 -0.169 0.000 0.893 156 L HN -0.064 nan 8.230 nan 0.000 0.432 157 V N -0.004 119.827 119.914 -0.139 0.000 2.358 157 V HA -0.286 3.835 4.120 0.001 0.000 0.246 157 V C 2.571 178.606 176.094 -0.099 0.000 1.047 157 V CA 1.885 64.117 62.300 -0.114 0.000 1.035 157 V CB -0.514 31.247 31.823 -0.104 0.000 0.658 157 V HN 0.693 nan 8.190 nan 0.000 0.452 158 E N 0.344 120.479 120.200 -0.108 0.000 2.033 158 E HA -0.261 4.089 4.350 0.001 0.000 0.199 158 E C 2.199 178.731 176.600 -0.114 0.000 1.011 158 E CA 2.360 58.697 56.400 -0.106 0.000 0.815 158 E CB -0.297 29.331 29.700 -0.120 0.000 0.755 158 E HN 0.564 nan 8.360 nan 0.000 0.451 159 I N 1.033 121.511 120.570 -0.154 0.000 2.068 159 I HA -0.367 3.804 4.170 0.001 0.000 0.238 159 I C 2.703 178.833 176.117 0.021 0.000 1.046 159 I CA 1.478 62.696 61.300 -0.137 0.000 1.306 159 I CB -0.508 37.397 38.000 -0.159 0.000 1.023 159 I HN 0.293 nan 8.210 nan 0.000 0.399 160 L N 0.079 121.308 121.223 0.011 0.000 2.197 160 L HA -0.266 4.075 4.340 0.001 0.000 0.215 160 L C 2.343 179.262 176.870 0.081 0.000 1.095 160 L CA 1.588 56.465 54.840 0.062 0.000 0.764 160 L CB -0.632 41.377 42.059 -0.083 0.000 0.897 160 L HN 0.405 nan 8.230 nan 0.000 0.436 161 E N -0.825 119.385 120.200 0.016 0.000 2.166 161 E HA -0.099 4.252 4.350 0.001 0.000 0.192 161 E C 1.475 178.073 176.600 -0.004 0.000 0.967 161 E CA 0.559 56.964 56.400 0.008 0.000 0.840 161 E CB 0.208 29.897 29.700 -0.018 0.000 0.795 161 E HN 0.451 nan 8.360 nan 0.000 0.470 162 D N 0.710 121.090 120.400 -0.033 0.000 2.197 162 D HA -0.069 4.572 4.640 0.001 0.000 0.212 162 D C 1.356 177.605 176.300 -0.084 0.000 0.963 162 D CA 0.831 54.794 54.000 -0.062 0.000 0.864 162 D CB -0.122 40.622 40.800 -0.093 0.000 1.009 162 D HN -0.012 nan 8.370 nan 0.000 0.479 163 D N -0.191 120.144 120.400 -0.109 0.000 2.106 163 D HA -0.035 4.606 4.640 0.001 0.000 0.203 163 D C 1.645 177.762 176.300 -0.306 0.000 0.977 163 D CA 0.725 54.585 54.000 -0.233 0.000 0.844 163 D CB -0.395 40.233 40.800 -0.286 0.000 1.002 163 D HN 0.186 nan 8.370 nan 0.000 0.461 164 F N 0.111 120.017 119.950 -0.073 0.000 2.789 164 F HA 0.254 4.782 4.527 0.001 0.000 0.300 164 F C 1.596 177.371 175.800 -0.042 0.000 1.132 164 F CA 0.250 58.212 58.000 -0.063 0.000 1.404 164 F CB 0.006 38.979 39.000 -0.046 0.000 1.114 164 F HN -0.026 nan 8.300 nan 0.000 0.584 165 G N 2.057 110.915 108.800 0.097 0.000 2.395 165 G HA2 -0.295 3.665 3.960 0.001 0.000 0.300 165 G HA3 -0.295 3.665 3.960 0.001 0.000 0.300 165 G C -0.052 174.890 174.900 0.070 0.000 0.998 165 G CA 0.114 45.244 45.100 0.051 0.000 1.046 165 G HN 0.320 nan 8.290 nan 0.000 0.513 166 L N -1.502 119.773 121.223 0.086 0.000 2.397 166 L HA 0.663 5.004 4.340 0.001 0.000 0.266 166 L C 0.877 177.772 176.870 0.042 0.000 1.040 166 L CA -1.050 53.829 54.840 0.065 0.000 0.800 166 L CB 1.194 43.292 42.059 0.065 0.000 1.324 166 L HN 0.024 nan 8.230 nan 0.000 0.469 167 K N 1.788 122.212 120.400 0.040 0.000 2.606 167 K HA 0.319 4.640 4.320 0.001 0.000 0.196 167 K C -2.462 174.161 176.600 0.038 0.000 1.048 167 K CA -1.494 54.813 56.287 0.034 0.000 1.017 167 K CB 0.737 33.261 32.500 0.041 0.000 1.413 167 K HN 0.243 nan 8.250 nan 0.000 0.568 168 P HA 0.164 nan 4.420 nan 0.000 0.278 168 P C -0.941 176.378 177.300 0.032 0.000 1.238 168 P CA -0.471 62.656 63.100 0.046 0.000 0.794 168 P CB 1.037 32.754 31.700 0.029 0.000 0.955 169 K N 1.127 121.567 120.400 0.066 0.000 2.274 169 K HA 0.459 4.779 4.320 0.001 0.000 0.262 169 K C -0.665 175.906 176.600 -0.048 0.000 0.961 169 K CA -0.916 55.366 56.287 -0.009 0.000 0.833 169 K CB 1.663 34.214 32.500 0.084 0.000 1.102 169 K HN 0.171 nan 8.250 nan 0.000 0.436 170 V N 3.966 123.760 119.914 -0.200 0.000 2.567 170 V HA 0.370 4.491 4.120 0.001 0.000 0.289 170 V C -0.931 174.984 176.094 -0.299 0.000 1.049 170 V CA -0.427 61.793 62.300 -0.134 0.000 0.969 170 V CB 0.604 32.340 31.823 -0.146 0.000 0.995 170 V HN 0.597 nan 8.190 nan 0.000 0.471 171 Y N 2.535 122.945 120.300 0.183 0.000 2.470 171 Y HA 0.428 4.978 4.550 0.001 0.000 0.341 171 Y C -0.423 175.673 175.900 0.327 0.000 1.021 171 Y CA -0.823 57.428 58.100 0.252 0.000 1.025 171 Y CB 1.790 40.391 38.460 0.235 0.000 1.266 171 Y HN 0.599 nan 8.280 nan 0.000 0.448 172 F N 2.809 122.961 119.950 0.337 0.000 2.506 172 F HA 0.132 4.660 4.527 0.001 0.000 0.371 172 F C 1.616 177.400 175.800 -0.026 0.000 1.078 172 F CA 0.235 58.253 58.000 0.030 0.000 1.195 172 F CB 1.118 40.179 39.000 0.101 0.000 1.099 172 F HN 0.647 nan 8.300 nan 0.000 0.548 173 S N 4.232 119.349 115.700 -0.970 0.000 2.407 173 S HA -0.118 4.353 4.470 0.001 0.000 0.235 173 S C 1.726 176.104 174.600 -0.371 0.000 1.036 173 S CA 1.320 59.064 58.200 -0.760 0.000 1.013 173 S CB -1.087 61.484 63.200 -1.048 0.000 0.820 173 S HN 2.006 nan 8.310 nan 0.000 0.476 174 G N 0.635 108.983 108.800 -0.754 0.000 2.159 174 G HA2 -0.241 3.720 3.960 0.001 0.000 0.227 174 G HA3 -0.241 3.720 3.960 0.001 0.000 0.227 174 G C 0.240 175.006 174.900 -0.223 0.000 0.986 174 G CA 0.572 45.671 45.100 -0.001 0.000 0.651 174 G HN 0.824 nan 8.290 nan 0.000 0.523 175 N N -1.303 117.004 118.700 -0.654 0.000 2.480 175 N HA 0.150 4.890 4.740 0.001 0.000 0.273 175 N C 1.578 176.898 175.510 -0.317 0.000 1.573 175 N CA 0.467 53.271 53.050 -0.411 0.000 1.577 175 N CB -0.723 37.276 38.487 -0.814 0.000 0.834 175 N HN 0.000 nan 8.380 nan 0.000 1.208 176 R N -0.193 120.105 120.500 -0.336 0.000 2.075 176 R HA 0.251 4.592 4.340 0.001 0.000 0.232 176 R C 0.911 176.969 176.300 -0.404 0.000 1.126 176 R CA 1.662 57.608 56.100 -0.256 0.000 0.963 176 R CB -0.288 29.917 30.300 -0.158 0.000 0.858 176 R HN 0.419 nan 8.270 nan 0.000 0.435 177 G N -1.675 106.751 108.800 -0.623 0.000 3.100 177 G HA2 0.433 4.393 3.960 0.001 0.000 0.174 177 G HA3 0.433 4.393 3.960 0.001 0.000 0.174 177 G C -1.129 173.064 174.900 -1.178 0.000 1.136 177 G CA -0.622 44.056 45.100 -0.704 0.000 0.881 177 G HN 0.024 nan 8.290 nan 0.000 0.616 178 F N -0.291 119.343 119.950 -0.526 0.000 2.640 178 F HA 0.662 5.189 4.527 0.001 0.000 0.324 178 F C -0.471 175.030 175.800 -0.499 0.000 1.077 178 F CA -0.837 56.862 58.000 -0.501 0.000 0.965 178 F CB 2.546 41.389 39.000 -0.262 0.000 1.351 178 F HN 0.202 nan 8.300 nan 0.000 0.487 179 H N 0.733 119.938 119.070 0.225 0.000 2.934 179 H HA 0.469 5.026 4.556 0.001 0.000 0.340 179 H C -1.391 174.080 175.328 0.239 0.000 1.008 179 H CA -0.671 55.481 56.048 0.173 0.000 1.317 179 H CB 1.600 31.421 29.762 0.099 0.000 1.670 179 H HN 0.246 nan 8.280 nan 0.000 0.516 180 V N 3.744 123.854 119.914 0.326 0.000 2.394 180 V HA 0.239 4.360 4.120 0.001 0.000 0.282 180 V C 0.270 176.548 176.094 0.306 0.000 1.031 180 V CA -0.582 61.885 62.300 0.279 0.000 0.881 180 V CB 1.695 33.632 31.823 0.190 0.000 0.982 180 V HN 0.731 nan 8.190 nan 0.000 0.451 181 Q N 4.062 124.033 119.800 0.284 0.000 2.353 181 Q HA 0.679 5.020 4.340 0.001 0.000 0.268 181 Q C -1.902 174.198 176.000 0.166 0.000 1.045 181 Q CA -0.675 55.251 55.803 0.205 0.000 0.811 181 Q CB 2.424 31.266 28.738 0.174 0.000 1.305 181 Q HN 0.481 nan 8.270 nan 0.000 0.447 182 V N 3.960 123.936 119.914 0.103 0.000 2.294 182 V HA 0.157 4.277 4.120 0.001 0.000 0.272 182 V C -0.761 175.312 176.094 -0.035 0.000 1.027 182 V CA -0.655 61.678 62.300 0.054 0.000 0.823 182 V CB 1.075 32.933 31.823 0.058 0.000 1.030 182 V HN 0.827 nan 8.190 nan 0.000 0.457 183 D N 4.098 124.469 120.400 -0.048 0.000 2.385 183 D HA 0.086 4.727 4.640 0.001 0.000 0.260 183 D C 0.339 176.411 176.300 -0.381 0.000 1.326 183 D CA 0.189 54.048 54.000 -0.234 0.000 1.023 183 D CB 0.359 41.093 40.800 -0.110 0.000 1.083 183 D HN 0.724 nan 8.370 nan 0.000 0.517 184 c N 2.639 121.007 118.600 -0.387 0.000 2.264 184 c HA 0.426 4.996 4.570 0.001 0.000 0.322 184 c C 0.917 174.810 174.090 -0.329 0.000 1.210 184 c CA -0.949 55.219 56.329 -0.268 0.000 1.539 184 c CB -0.992 41.448 42.510 -0.116 0.000 2.167 184 c HN 0.512 nan 8.230 nan 0.000 0.463 185 Y N 2.836 123.124 120.300 -0.020 0.000 2.466 185 Y HA 0.301 4.852 4.550 0.001 0.000 0.272 185 Y C 1.797 177.666 175.900 -0.052 0.000 1.169 185 Y CA 0.602 58.677 58.100 -0.042 0.000 1.285 185 Y CB 0.075 38.516 38.460 -0.032 0.000 1.078 185 Y HN 0.892 nan 8.280 nan 0.000 0.523 186 G N 0.164 109.004 108.800 0.066 0.000 3.227 186 G HA2 -0.027 3.933 3.960 0.001 0.000 0.171 186 G HA3 -0.027 3.933 3.960 0.001 0.000 0.171 186 G C 0.948 175.840 174.900 -0.012 0.000 1.463 186 G CA -0.249 44.869 45.100 0.030 0.000 1.016 186 G HN 0.126 nan 8.290 nan 0.000 0.594 187 N N -0.195 118.502 118.700 -0.005 0.000 2.409 187 N HA -0.123 4.618 4.740 0.001 0.000 0.179 187 N C 2.187 177.693 175.510 -0.007 0.000 1.032 187 N CA 1.144 54.189 53.050 -0.009 0.000 0.898 187 N CB -0.374 38.115 38.487 0.004 0.000 0.971 187 N HN 0.417 nan 8.380 nan 0.000 0.441 188 c N 1.956 120.552 118.600 -0.007 0.000 2.413 188 c HA 0.060 4.631 4.570 0.001 0.000 0.276 188 c C 2.844 176.925 174.090 -0.016 0.000 1.248 188 c CA 1.032 57.355 56.329 -0.009 0.000 1.742 188 c CB -1.158 41.340 42.510 -0.020 0.000 2.017 188 c HN 0.437 nan 8.230 nan 0.000 0.481 189 A N 0.101 122.891 122.820 -0.049 0.000 2.186 189 A HA 0.076 4.397 4.320 0.001 0.000 0.219 189 A C 1.865 179.416 177.584 -0.054 0.000 1.159 189 A CA 1.425 53.416 52.037 -0.077 0.000 0.680 189 A CB -0.602 18.305 19.000 -0.154 0.000 0.787 189 A HN 0.756 nan 8.150 nan 0.000 0.467 190 L N -0.248 120.967 121.223 -0.013 0.000 2.818 190 L HA 0.275 4.615 4.340 0.001 0.000 0.243 190 L C -0.319 176.665 176.870 0.191 0.000 1.185 190 L CA -0.458 54.422 54.840 0.068 0.000 0.988 190 L CB 0.034 42.084 42.059 -0.015 0.000 1.292 190 L HN 0.226 nan 8.230 nan 0.000 0.519 191 L N 0.350 121.666 121.223 0.154 0.000 2.455 191 L HA 0.050 4.390 4.340 0.001 0.000 0.272 191 L C 0.501 177.432 176.870 0.102 0.000 1.174 191 L CA -0.144 54.757 54.840 0.101 0.000 0.869 191 L CB 0.214 42.301 42.059 0.045 0.000 1.130 191 L HN 0.066 nan 8.230 nan 0.000 0.474 192 D N 0.716 121.148 120.400 0.054 0.000 2.364 192 D HA -0.060 4.581 4.640 0.001 0.000 0.236 192 D C 1.174 177.450 176.300 -0.040 0.000 1.221 192 D CA 0.438 54.438 54.000 0.000 0.000 0.891 192 D CB 0.985 41.788 40.800 0.004 0.000 1.190 192 D HN 0.606 nan 8.370 nan 0.000 0.449 193 S N 0.478 116.126 115.700 -0.088 0.000 2.387 193 S HA -0.152 4.319 4.470 0.001 0.000 0.226 193 S C 1.275 175.844 174.600 -0.051 0.000 1.026 193 S CA 0.935 59.078 58.200 -0.095 0.000 0.972 193 S CB -0.043 63.083 63.200 -0.123 0.000 0.814 193 S HN 0.380 nan 8.310 nan 0.000 0.477 194 D N 1.772 122.151 120.400 -0.035 0.000 2.117 194 D HA -0.067 4.574 4.640 0.001 0.000 0.197 194 D C 2.070 178.376 176.300 0.010 0.000 0.987 194 D CA 1.395 55.388 54.000 -0.010 0.000 0.829 194 D CB -0.387 40.409 40.800 -0.006 0.000 0.961 194 D HN 0.683 nan 8.370 nan 0.000 0.460 195 E N 0.207 120.413 120.200 0.011 0.000 2.150 195 E HA -0.088 4.263 4.350 0.001 0.000 0.193 195 E C 2.216 178.833 176.600 0.028 0.000 0.985 195 E CA 0.470 56.887 56.400 0.029 0.000 0.814 195 E CB 0.096 29.814 29.700 0.031 0.000 0.752 195 E HN 0.212 nan 8.360 nan 0.000 0.466 196 R N 0.977 121.477 120.500 -0.000 0.000 2.066 196 R HA -0.106 4.234 4.340 0.001 0.000 0.232 196 R C 2.389 178.696 176.300 0.012 0.000 1.131 196 R CA 1.295 57.383 56.100 -0.021 0.000 0.955 196 R CB -0.166 30.091 30.300 -0.071 0.000 0.851 196 R HN -0.014 nan 8.270 nan 0.000 0.432 197 K N 0.999 121.407 120.400 0.013 0.000 2.113 197 K HA -0.202 4.119 4.320 0.001 0.000 0.208 197 K C 1.856 178.511 176.600 0.092 0.000 1.047 197 K CA 1.490 57.801 56.287 0.040 0.000 0.928 197 K CB 0.085 32.599 32.500 0.023 0.000 0.716 197 K HN 0.090 nan 8.250 nan 0.000 0.446 198 E N 0.655 120.913 120.200 0.097 0.000 2.051 198 E HA -0.170 4.181 4.350 0.001 0.000 0.192 198 E C 2.082 178.817 176.600 0.226 0.000 0.991 198 E CA 1.399 57.885 56.400 0.143 0.000 0.799 198 E CB -0.128 29.641 29.700 0.116 0.000 0.748 198 E HN 0.440 nan 8.360 nan 0.000 0.449 199 I N 0.979 121.667 120.570 0.198 0.000 2.361 199 I HA -0.272 3.899 4.170 0.001 0.000 0.251 199 I C 2.515 178.842 176.117 0.350 0.000 1.133 199 I CA 0.902 62.354 61.300 0.253 0.000 1.413 199 I CB -0.358 37.670 38.000 0.046 0.000 1.073 199 I HN 0.015 nan 8.210 nan 0.000 0.424 200 A N 0.965 123.953 122.820 0.280 0.000 1.832 200 A HA -0.214 4.107 4.320 0.001 0.000 0.214 200 A C 2.216 179.972 177.584 0.286 0.000 1.200 200 A CA 1.631 53.854 52.037 0.310 0.000 0.610 200 A CB -0.748 18.366 19.000 0.190 0.000 0.842 200 A HN 0.409 nan 8.150 nan 0.000 0.444 201 E N -1.493 118.843 120.200 0.227 0.000 2.147 201 E HA -0.288 4.062 4.350 0.001 0.000 0.199 201 E C 1.849 178.598 176.600 0.249 0.000 1.005 201 E CA 1.741 58.255 56.400 0.190 0.000 0.810 201 E CB -0.428 29.360 29.700 0.146 0.000 0.736 201 E HN 0.786 nan 8.360 nan 0.000 0.460 202 Y N 1.391 121.835 120.300 0.240 0.000 2.145 202 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 202 Y C 2.212 178.401 175.900 0.482 0.000 1.145 202 Y CA 1.314 59.624 58.100 0.350 0.000 1.148 202 Y CB -0.217 38.487 38.460 0.408 0.000 0.981 202 Y HN -0.192 nan 8.280 nan 0.000 0.507 203 V N 0.568 120.755 119.914 0.455 0.000 2.515 203 V HA -0.323 3.798 4.120 0.001 0.000 0.250 203 V C 2.164 178.410 176.094 0.255 0.000 1.058 203 V CA 2.207 64.690 62.300 0.305 0.000 1.064 203 V CB -0.596 31.325 31.823 0.163 0.000 0.675 203 V HN 0.487 nan 8.190 nan 0.000 0.461 204 M N -0.225 119.494 119.600 0.198 0.000 2.619 204 M HA 0.211 4.692 4.480 0.001 0.000 0.251 204 M C 1.487 177.815 176.300 0.048 0.000 1.106 204 M CA 1.009 56.384 55.300 0.126 0.000 1.086 204 M CB -0.041 32.621 32.600 0.104 0.000 1.465 204 M HN 0.480 nan 8.290 nan 0.000 0.506 205 G N 1.059 109.860 108.800 0.002 0.000 2.221 205 G HA2 -0.246 3.715 3.960 0.001 0.000 0.265 205 G HA3 -0.246 3.715 3.960 0.001 0.000 0.265 205 G C 0.541 175.288 174.900 -0.256 0.000 1.041 205 G CA 0.128 45.019 45.100 -0.347 0.000 0.807 205 G HN 0.488 nan 8.290 nan 0.000 0.502 206 I N 0.188 120.696 120.570 -0.104 0.000 2.110 206 I HA -0.065 4.106 4.170 0.001 0.000 0.236 206 I C 2.901 178.961 176.117 -0.094 0.000 1.068 206 I CA 1.989 63.247 61.300 -0.069 0.000 1.333 206 I CB -0.558 37.443 38.000 0.001 0.000 1.054 206 I HN 0.304 nan 8.210 nan 0.000 0.402 207 G N 0.594 109.358 108.800 -0.059 0.000 2.464 207 G HA2 -0.026 3.934 3.960 0.001 0.000 0.217 207 G HA3 -0.026 3.934 3.960 0.001 0.000 0.217 207 G C 0.802 175.628 174.900 -0.124 0.000 1.138 207 G CA -0.110 44.958 45.100 -0.053 0.000 0.793 207 G HN 0.142 nan 8.290 nan 0.000 0.539 208 V N 3.511 123.287 119.914 -0.230 0.000 2.625 208 V HA 0.085 4.206 4.120 0.001 0.000 0.305 208 V C -1.392 174.492 176.094 -0.351 0.000 1.055 208 V CA -0.682 61.398 62.300 -0.366 0.000 1.209 208 V CB 0.520 31.796 31.823 -0.912 0.000 0.877 208 V HN 0.261 nan 8.190 nan 0.000 0.489 209 P HA 0.351 nan 4.420 nan 0.000 0.287 209 P C -0.041 176.892 177.300 -0.613 0.000 1.270 209 P CA -0.329 62.510 63.100 -0.435 0.000 0.844 209 P CB 1.431 32.863 31.700 -0.446 0.000 1.068 210 G N 1.414 109.960 108.800 -0.422 0.000 2.343 210 G HA2 0.180 4.141 3.960 0.001 0.000 0.254 210 G HA3 0.180 4.141 3.960 0.001 0.000 0.254 210 G C -0.960 173.707 174.900 -0.388 0.000 1.277 210 G CA -0.171 44.742 45.100 -0.312 0.000 0.909 210 G HN 0.381 nan 8.290 nan 0.000 0.502 211 Y N 3.830 124.110 120.300 -0.033 0.000 2.700 211 Y HA 0.250 4.800 4.550 0.001 0.000 0.333 211 Y C -1.251 174.647 175.900 -0.003 0.000 1.036 211 Y CA -1.887 56.208 58.100 -0.007 0.000 1.287 211 Y CB 1.767 40.237 38.460 0.017 0.000 1.132 211 Y HN 0.472 nan 8.280 nan 0.000 0.510 212 P HA -0.165 nan 4.420 nan 0.000 0.215 212 P C 1.549 178.884 177.300 0.058 0.000 1.157 212 P CA 1.847 64.975 63.100 0.046 0.000 0.868 212 P CB 0.397 32.106 31.700 0.015 0.000 0.788 213 G N -1.420 107.422 108.800 0.071 0.000 2.719 213 G HA2 0.150 4.110 3.960 0.001 0.000 0.211 213 G HA3 0.150 4.110 3.960 0.001 0.000 0.211 213 G C 0.832 175.765 174.900 0.054 0.000 1.140 213 G CA 0.330 45.462 45.100 0.053 0.000 0.790 213 G HN 0.453 nan 8.290 nan 0.000 0.529 214 G N 1.114 109.961 108.800 0.077 0.000 2.341 214 G HA2 0.285 4.246 3.960 0.001 0.000 0.231 214 G HA3 0.285 4.246 3.960 0.001 0.000 0.231 214 G C 0.763 175.681 174.900 0.030 0.000 1.206 214 G CA 0.618 45.745 45.100 0.046 0.000 0.865 214 G HN 0.819 nan 8.290 nan 0.000 0.515 215 S N 0.824 116.530 115.700 0.009 0.000 2.608 215 S HA 0.173 4.644 4.470 0.001 0.000 0.261 215 S C 0.978 175.582 174.600 0.006 0.000 1.314 215 S CA 0.057 58.261 58.200 0.006 0.000 0.992 215 S CB 1.475 64.674 63.200 -0.003 0.000 0.935 215 S HN 0.688 nan 8.310 nan 0.000 0.564 216 E N 0.265 120.468 120.200 0.006 0.000 2.371 216 E HA 0.023 4.374 4.350 0.001 0.000 0.194 216 E C 0.556 177.152 176.600 -0.007 0.000 1.012 216 E CA 0.285 56.688 56.400 0.005 0.000 0.860 216 E CB -0.090 29.614 29.700 0.006 0.000 0.811 216 E HN 0.551 nan 8.360 nan 0.000 0.502 217 N N 0.841 119.535 118.700 -0.011 0.000 2.276 217 N HA 0.130 4.871 4.740 0.001 0.000 0.212 217 N C 0.225 175.718 175.510 -0.027 0.000 1.127 217 N CA -0.013 53.026 53.050 -0.019 0.000 0.834 217 N CB 0.604 39.082 38.487 -0.016 0.000 1.014 217 N HN 0.039 nan 8.380 nan 0.000 0.491 218 A N 2.403 125.204 122.820 -0.031 0.000 2.206 218 A HA 0.133 4.454 4.320 0.001 0.000 0.286 218 A C -0.853 176.696 177.584 -0.059 0.000 1.334 218 A CA 0.055 52.063 52.037 -0.048 0.000 0.843 218 A CB -0.489 18.474 19.000 -0.061 0.000 1.169 218 A HN 0.103 nan 8.150 nan 0.000 0.511 219 P HA 0.232 nan 4.420 nan 0.000 0.179 219 P C 1.177 178.422 177.300 -0.092 0.000 1.067 219 P CA 0.960 64.013 63.100 -0.078 0.000 0.827 219 P CB -0.309 31.344 31.700 -0.078 0.000 0.729 220 G N -0.807 107.937 108.800 -0.093 0.000 3.022 220 G HA2 -0.062 3.898 3.960 0.001 0.000 0.157 220 G HA3 -0.062 3.898 3.960 0.001 0.000 0.157 220 G C 0.311 175.175 174.900 -0.060 0.000 1.691 220 G CA -0.402 44.644 45.100 -0.089 0.000 1.079 220 G HN 0.258 nan 8.290 nan 0.000 0.549 221 W N -0.118 121.144 121.300 -0.063 0.000 2.908 221 W HA 0.116 4.776 4.660 0.001 0.000 0.250 221 W C 1.903 178.346 176.519 -0.128 0.000 1.284 221 W CA -0.440 56.866 57.345 -0.065 0.000 1.352 221 W CB 0.177 29.634 29.460 -0.005 0.000 1.133 221 W HN 0.017 nan 8.180 nan 0.000 0.684 222 V N -0.926 118.961 119.914 -0.046 0.000 2.484 222 V HA -0.031 4.089 4.120 0.001 0.000 0.236 222 V C 2.381 178.475 176.094 -0.001 0.000 1.062 222 V CA 1.842 64.016 62.300 -0.211 0.000 1.081 222 V CB -1.273 30.323 31.823 -0.378 0.000 0.751 222 V HN 0.209 nan 8.190 nan 0.000 0.484 223 G N -0.284 108.502 108.800 -0.025 0.000 2.485 223 G HA2 -0.281 3.679 3.960 0.001 0.000 0.221 223 G HA3 -0.281 3.679 3.960 0.001 0.000 0.221 223 G C 1.649 176.573 174.900 0.039 0.000 1.115 223 G CA 1.078 46.176 45.100 -0.002 0.000 0.751 223 G HN 0.362 nan 8.290 nan 0.000 0.567 224 R N 0.186 120.735 120.500 0.082 0.000 2.089 224 R HA 0.040 4.380 4.340 0.001 0.000 0.222 224 R C 2.657 179.094 176.300 0.228 0.000 1.151 224 R CA 1.270 57.459 56.100 0.149 0.000 0.908 224 R CB -0.224 30.187 30.300 0.184 0.000 0.813 224 R HN 0.049 nan 8.270 nan 0.000 0.440 225 K N 0.688 121.291 120.400 0.338 0.000 2.189 225 K HA -0.157 4.164 4.320 0.001 0.000 0.207 225 K C 0.916 177.597 176.600 0.135 0.000 1.046 225 K CA 1.133 57.550 56.287 0.216 0.000 0.928 225 K CB -0.316 32.309 32.500 0.209 0.000 0.720 225 K HN 0.324 nan 8.250 nan 0.000 0.458 226 N N 0.855 119.630 118.700 0.125 0.000 2.346 226 N HA 0.018 4.759 4.740 0.001 0.000 0.225 226 N C 0.314 175.859 175.510 0.058 0.000 1.144 226 N CA 0.229 53.328 53.050 0.080 0.000 0.837 226 N CB 0.492 39.021 38.487 0.070 0.000 1.069 226 N HN 0.159 nan 8.380 nan 0.000 0.487 227 R N -1.153 119.387 120.500 0.066 0.000 2.563 227 R HA 0.171 4.512 4.340 0.001 0.000 0.443 227 R C 0.740 177.069 176.300 0.049 0.000 0.956 227 R CA 0.233 56.361 56.100 0.047 0.000 1.141 227 R CB 0.860 31.182 30.300 0.037 0.000 1.553 227 R HN 0.198 nan 8.270 nan 0.000 0.577 228 G N 1.669 110.502 108.800 0.055 0.000 2.579 228 G HA2 -0.306 3.654 3.960 0.001 0.000 0.222 228 G HA3 -0.306 3.654 3.960 0.001 0.000 0.222 228 G C 0.418 175.357 174.900 0.064 0.000 1.201 228 G CA -0.023 45.105 45.100 0.047 0.000 0.710 228 G HN 0.212 nan 8.290 nan 0.000 0.516 229 I N 2.582 123.207 120.570 0.092 0.000 3.017 229 I HA 0.066 4.236 4.170 0.001 0.000 0.310 229 I C 1.086 177.297 176.117 0.156 0.000 1.220 229 I CA 1.494 62.876 61.300 0.137 0.000 1.450 229 I CB 0.309 38.419 38.000 0.182 0.000 1.317 229 I HN 0.638 nan 8.210 nan 0.000 0.570 230 N N 3.246 122.016 118.700 0.117 0.000 2.286 230 N HA 0.339 5.080 4.740 0.001 0.000 0.245 230 N C -0.373 175.111 175.510 -0.044 0.000 1.363 230 N CA 0.165 53.210 53.050 -0.009 0.000 0.822 230 N CB 0.929 39.392 38.487 -0.040 0.000 1.345 230 N HN 0.898 nan 8.380 nan 0.000 0.494 231 G N -0.767 108.113 108.800 0.134 0.000 2.339 231 G HA2 0.271 4.231 3.960 0.001 0.000 0.381 231 G HA3 0.271 4.231 3.960 0.001 0.000 0.381 231 G C -2.263 172.729 174.900 0.154 0.000 1.400 231 G CA -0.508 44.678 45.100 0.143 0.000 1.002 231 G HN 0.226 nan 8.290 nan 0.000 0.633 232 V N 0.574 120.569 119.914 0.134 0.000 2.487 232 V HA 0.566 4.686 4.120 0.001 0.000 0.298 232 V C 0.453 176.596 176.094 0.081 0.000 1.028 232 V CA -0.513 61.840 62.300 0.088 0.000 0.860 232 V CB 1.840 33.697 31.823 0.057 0.000 0.991 232 V HN 0.932 nan 8.190 nan 0.000 0.427 233 T N 7.183 121.779 114.554 0.070 0.000 2.848 233 T HA 0.505 4.856 4.350 0.001 0.000 0.283 233 T C -0.155 174.593 174.700 0.080 0.000 0.919 233 T CA 0.547 62.694 62.100 0.079 0.000 1.071 233 T CB -0.599 68.315 68.868 0.076 0.000 0.912 233 T HN 0.367 nan 8.240 nan 0.000 0.570 234 I N 1.913 122.541 120.570 0.096 0.000 2.730 234 I HA 0.278 4.449 4.170 0.001 0.000 0.298 234 I C -0.306 175.865 176.117 0.090 0.000 1.089 234 I CA -1.110 60.256 61.300 0.110 0.000 1.041 234 I CB 2.365 40.467 38.000 0.169 0.000 1.235 234 I HN 0.293 nan 8.210 nan 0.000 0.423 235 D N 4.106 124.542 120.400 0.061 0.000 2.402 235 D HA 0.023 4.664 4.640 0.001 0.000 0.235 235 D C 1.216 177.535 176.300 0.031 0.000 1.226 235 D CA -0.032 53.980 54.000 0.020 0.000 0.918 235 D CB 0.716 41.502 40.800 -0.025 0.000 1.043 235 D HN 0.618 nan 8.370 nan 0.000 0.506 236 E N 2.537 122.765 120.200 0.048 0.000 2.118 236 E HA -0.297 4.054 4.350 0.001 0.000 0.195 236 E C 1.077 177.669 176.600 -0.012 0.000 0.992 236 E CA 0.811 57.236 56.400 0.042 0.000 0.804 236 E CB -0.092 29.643 29.700 0.059 0.000 0.741 236 E HN 0.370 nan 8.360 nan 0.000 0.458 237 Q N 0.598 120.384 119.800 -0.024 0.000 2.248 237 Q HA -0.121 4.220 4.340 0.001 0.000 0.208 237 Q C 2.370 178.318 176.000 -0.087 0.000 0.984 237 Q CA 1.203 56.974 55.803 -0.053 0.000 0.875 237 Q CB -0.235 28.472 28.738 -0.051 0.000 0.910 237 Q HN 0.339 nan 8.270 nan 0.000 0.433 238 V N 0.132 119.991 119.914 -0.091 0.000 2.591 238 V HA -0.147 3.974 4.120 0.001 0.000 0.249 238 V C 2.024 178.008 176.094 -0.184 0.000 1.053 238 V CA 1.851 64.071 62.300 -0.134 0.000 1.068 238 V CB -0.411 31.343 31.823 -0.114 0.000 0.689 238 V HN 0.343 nan 8.190 nan 0.000 0.462 239 T N 0.131 114.572 114.554 -0.189 0.000 2.942 239 T HA 0.048 4.398 4.350 0.001 0.000 0.265 239 T C 1.688 176.262 174.700 -0.211 0.000 1.062 239 T CA 1.119 63.038 62.100 -0.302 0.000 1.139 239 T CB -0.126 68.536 68.868 -0.342 0.000 0.883 239 T HN 0.331 nan 8.240 nan 0.000 0.468 240 I N 0.969 121.459 120.570 -0.133 0.000 3.111 240 I HA 0.037 4.208 4.170 0.001 0.000 0.272 240 I C 0.757 176.796 176.117 -0.130 0.000 1.268 240 I CA 0.372 61.608 61.300 -0.108 0.000 1.467 240 I CB -0.066 37.892 38.000 -0.070 0.000 1.087 240 I HN 0.038 nan 8.210 nan 0.000 0.467 241 D N 0.614 120.927 120.400 -0.145 0.000 2.338 241 D HA 0.066 4.707 4.640 0.001 0.000 0.255 241 D C 1.048 177.249 176.300 -0.165 0.000 1.237 241 D CA 0.229 54.136 54.000 -0.155 0.000 0.883 241 D CB 1.478 42.185 40.800 -0.154 0.000 1.087 241 D HN -0.128 nan 8.370 nan 0.000 0.485 242 V N 4.637 124.433 119.914 -0.197 0.000 2.649 242 V HA -0.038 4.083 4.120 0.001 0.000 0.248 242 V C 1.570 177.566 176.094 -0.163 0.000 1.054 242 V CA 0.941 63.111 62.300 -0.215 0.000 1.073 242 V CB -0.232 31.325 31.823 -0.444 0.000 0.699 242 V HN 0.493 nan 8.190 nan 0.000 0.463 243 K N 1.444 121.740 120.400 -0.173 0.000 2.598 243 K HA 0.327 4.647 4.320 0.001 0.000 0.226 243 K C -0.069 176.484 176.600 -0.079 0.000 1.156 243 K CA -0.356 55.894 56.287 -0.062 0.000 1.122 243 K CB 0.134 32.599 32.500 -0.058 0.000 1.739 243 K HN 0.201 nan 8.250 nan 0.000 0.472 244 R N 2.084 122.527 120.500 -0.096 0.000 2.711 244 R HA 0.439 4.780 4.340 0.001 0.000 0.284 244 R C -0.952 175.236 176.300 -0.187 0.000 0.968 244 R CA -0.550 55.451 56.100 -0.165 0.000 0.924 244 R CB 0.988 31.176 30.300 -0.187 0.000 1.162 244 R HN 0.286 nan 8.270 nan 0.000 0.465 245 L N 4.247 125.292 121.223 -0.297 0.000 2.375 245 L HA 0.463 4.803 4.340 0.001 0.000 0.271 245 L C -0.211 176.413 176.870 -0.410 0.000 1.107 245 L CA -0.552 54.067 54.840 -0.368 0.000 0.806 245 L CB 1.127 42.838 42.059 -0.581 0.000 1.146 245 L HN 0.534 nan 8.230 nan 0.000 0.447 246 I N 2.660 122.982 120.570 -0.415 0.000 2.411 246 I HA 0.295 4.466 4.170 0.001 0.000 0.284 246 I C 0.131 176.063 176.117 -0.308 0.000 1.012 246 I CA -0.607 60.416 61.300 -0.460 0.000 1.119 246 I CB 1.472 39.070 38.000 -0.669 0.000 1.261 246 I HN 0.583 nan 8.210 nan 0.000 0.448 247 R N 7.099 127.604 120.500 0.008 0.000 2.483 247 R HA 0.164 4.504 4.340 0.001 0.000 0.329 247 R C -0.240 176.041 176.300 -0.030 0.000 0.961 247 R CA -0.217 56.049 56.100 0.277 0.000 1.041 247 R CB 0.102 30.602 30.300 0.334 0.000 0.930 247 R HN 0.563 nan 8.270 nan 0.000 0.413 248 I N 8.305 128.854 120.570 -0.035 0.000 2.821 248 I HA -0.078 4.093 4.170 0.001 0.000 0.294 248 I C -1.745 174.414 176.117 0.071 0.000 1.210 248 I CA -1.131 60.188 61.300 0.032 0.000 1.430 248 I CB 0.255 38.381 38.000 0.210 0.000 1.356 248 I HN 0.456 nan 8.210 nan 0.000 0.563 249 P HA 0.077 nan 4.420 nan 0.000 0.269 249 P C 0.014 177.430 177.300 0.194 0.000 1.209 249 P CA 0.279 63.432 63.100 0.089 0.000 0.776 249 P CB 0.438 32.161 31.700 0.039 0.000 0.876 250 N N -2.058 116.784 118.700 0.236 0.000 2.965 250 N HA -0.151 4.590 4.740 0.001 0.000 0.232 250 N C 0.154 175.860 175.510 0.327 0.000 0.913 250 N CA 1.500 54.709 53.050 0.266 0.000 0.981 250 N CB -1.844 36.786 38.487 0.238 0.000 1.077 250 N HN 0.568 nan 8.380 nan 0.000 0.589 251 S N 0.025 115.886 115.700 0.267 0.000 2.655 251 S HA 0.609 5.080 4.470 0.001 0.000 0.265 251 S C 0.301 174.981 174.600 0.134 0.000 1.240 251 S CA -0.666 57.722 58.200 0.313 0.000 0.986 251 S CB 1.175 64.487 63.200 0.187 0.000 0.985 251 S HN 0.232 nan 8.310 nan 0.000 0.562 252 L N 2.232 123.459 121.223 0.006 0.000 2.309 252 L HA 0.354 4.695 4.340 0.001 0.000 0.282 252 L C 0.377 177.220 176.870 -0.045 0.000 1.036 252 L CA -0.759 53.918 54.840 -0.273 0.000 0.806 252 L CB 1.245 42.753 42.059 -0.919 0.000 1.220 252 L HN 0.786 nan 8.230 nan 0.000 0.429 253 H N 2.680 121.758 119.070 0.013 0.000 2.800 253 H HA 0.062 4.619 4.556 0.001 0.000 0.291 253 H C 0.951 176.384 175.328 0.175 0.000 1.076 253 H CA 0.134 56.272 56.048 0.150 0.000 1.452 253 H CB 1.700 31.574 29.762 0.186 0.000 1.461 253 H HN 0.830 nan 8.280 nan 0.000 0.488 254 G N 4.090 112.731 108.800 -0.266 0.000 2.653 254 G HA2 -0.171 3.789 3.960 0.001 0.000 0.212 254 G HA3 -0.171 3.789 3.960 0.001 0.000 0.212 254 G C 1.014 175.934 174.900 0.033 0.000 1.138 254 G CA 0.255 45.102 45.100 -0.421 0.000 0.782 254 G HN 0.559 nan 8.290 nan 0.000 0.535 255 K N -0.381 120.252 120.400 0.389 0.000 2.469 255 K HA 0.171 4.492 4.320 0.001 0.000 0.204 255 K C 1.282 178.050 176.600 0.280 0.000 1.047 255 K CA 0.595 57.114 56.287 0.388 0.000 1.072 255 K CB 0.832 33.634 32.500 0.503 0.000 0.863 255 K HN 0.335 nan 8.250 nan 0.000 0.530 256 S N -2.414 113.500 115.700 0.356 0.000 2.348 256 S HA 0.113 4.583 4.470 0.001 0.000 0.276 256 S C 1.200 176.012 174.600 0.354 0.000 1.027 256 S CA 0.319 58.660 58.200 0.234 0.000 1.386 256 S CB 0.548 63.940 63.200 0.320 0.000 1.122 256 S HN 0.218 nan 8.310 nan 0.000 0.573 257 G N 1.917 110.950 108.800 0.389 0.000 2.179 257 G HA2 -0.225 3.735 3.960 0.001 0.000 0.257 257 G HA3 -0.225 3.735 3.960 0.001 0.000 0.257 257 G C -0.113 174.867 174.900 0.133 0.000 1.010 257 G CA 0.702 46.045 45.100 0.406 0.000 0.736 257 G HN 0.643 nan 8.290 nan 0.000 0.513 258 L N -0.274 121.057 121.223 0.180 0.000 2.375 258 L HA 0.584 4.925 4.340 0.001 0.000 0.268 258 L C 1.104 178.005 176.870 0.052 0.000 1.058 258 L CA -1.153 53.757 54.840 0.116 0.000 0.803 258 L CB 1.243 43.477 42.059 0.293 0.000 1.212 258 L HN 0.041 nan 8.230 nan 0.000 0.451 259 I N 1.820 122.395 120.570 0.008 0.000 2.371 259 I HA 0.051 4.222 4.170 0.001 0.000 0.290 259 I C 0.203 176.460 176.117 0.235 0.000 1.028 259 I CA -0.530 60.788 61.300 0.031 0.000 1.345 259 I CB 1.571 39.568 38.000 -0.005 0.000 1.407 259 I HN 0.228 nan 8.210 nan 0.000 0.501 260 V N 7.228 127.287 119.914 0.242 0.000 2.106 260 V HA -0.053 4.068 4.120 0.001 0.000 0.235 260 V C 0.745 177.056 176.094 0.361 0.000 1.454 260 V CA 0.254 62.740 62.300 0.310 0.000 1.458 260 V CB -1.293 30.669 31.823 0.232 0.000 1.506 260 V HN 0.620 nan 8.190 nan 0.000 0.498 261 K N 3.186 123.835 120.400 0.414 0.000 2.185 261 K HA 0.385 4.706 4.320 0.001 0.000 0.271 261 K C 0.422 177.305 176.600 0.473 0.000 1.013 261 K CA -0.767 55.754 56.287 0.390 0.000 0.943 261 K CB 0.891 33.564 32.500 0.287 0.000 0.998 261 K HN 0.513 nan 8.250 nan 0.000 0.468 262 R N 2.418 123.149 120.500 0.385 0.000 2.490 262 R HA 0.186 4.526 4.340 0.001 0.000 0.280 262 R C -1.232 175.107 176.300 0.066 0.000 1.077 262 R CA -0.448 55.702 56.100 0.083 0.000 1.065 262 R CB 0.831 31.096 30.300 -0.059 0.000 1.003 262 R HN 0.343 nan 8.270 nan 0.000 0.470 263 V N 7.754 127.652 119.914 -0.027 0.000 2.370 263 V HA 0.284 4.404 4.120 0.001 0.000 0.283 263 V C -1.868 174.198 176.094 -0.048 0.000 1.023 263 V CA -1.383 60.940 62.300 0.038 0.000 0.857 263 V CB 1.509 33.348 31.823 0.026 0.000 0.985 263 V HN 0.891 nan 8.190 nan 0.000 0.443 264 P HA 0.075 nan 4.420 nan 0.000 0.213 264 P C 0.220 177.507 177.300 -0.021 0.000 1.156 264 P CA 0.406 63.492 63.100 -0.023 0.000 0.884 264 P CB 0.296 31.998 31.700 0.003 0.000 0.774 265 N N 0.502 119.207 118.700 0.009 0.000 2.426 265 N HA 0.124 4.865 4.740 0.001 0.000 0.257 265 N C 0.718 176.234 175.510 0.010 0.000 1.002 265 N CA -0.066 52.987 53.050 0.004 0.000 0.942 265 N CB 0.324 38.822 38.487 0.018 0.000 1.112 265 N HN -0.124 nan 8.380 nan 0.000 0.499 266 L N 1.679 122.876 121.223 -0.044 0.000 2.549 266 L HA -0.017 4.324 4.340 0.001 0.000 0.229 266 L C 0.428 177.290 176.870 -0.013 0.000 1.158 266 L CA 0.754 55.543 54.840 -0.086 0.000 0.842 266 L CB 0.021 41.986 42.059 -0.157 0.000 0.952 266 L HN 0.492 nan 8.230 nan 0.000 0.452 267 D N -1.249 119.161 120.400 0.017 0.000 2.407 267 D HA -0.001 4.640 4.640 0.001 0.000 0.208 267 D C 0.387 176.722 176.300 0.059 0.000 1.083 267 D CA 0.253 54.273 54.000 0.033 0.000 0.844 267 D CB 0.472 41.279 40.800 0.012 0.000 0.967 267 D HN 0.219 nan 8.370 nan 0.000 0.506 268 D N 0.218 120.664 120.400 0.076 0.000 2.463 268 D HA 0.088 4.729 4.640 0.001 0.000 0.224 268 D C -0.570 175.794 176.300 0.106 0.000 1.174 268 D CA -0.340 53.701 54.000 0.067 0.000 0.829 268 D CB -0.069 40.757 40.800 0.043 0.000 0.993 268 D HN 0.079 nan 8.370 nan 0.000 0.497 269 F N 1.569 121.525 119.950 0.010 0.000 2.405 269 F HA 0.348 4.876 4.527 0.001 0.000 0.355 269 F C 0.076 175.899 175.800 0.038 0.000 1.121 269 F CA -0.528 57.491 58.000 0.032 0.000 1.112 269 F CB 0.887 39.935 39.000 0.079 0.000 1.126 269 F HN -0.302 nan 8.300 nan 0.000 0.481 270 E N 5.049 124.845 120.200 -0.672 0.000 2.222 270 E HA 0.217 4.568 4.350 0.001 0.000 0.267 270 E C -1.475 174.760 176.600 -0.609 0.000 0.884 270 E CA -0.949 55.195 56.400 -0.426 0.000 0.764 270 E CB 1.593 31.154 29.700 -0.232 0.000 1.169 270 E HN 0.510 nan 8.360 nan 0.000 0.413 271 F N 4.750 124.459 119.950 -0.402 0.000 2.605 271 F HA 0.293 4.821 4.527 0.001 0.000 0.352 271 F C -0.605 175.050 175.800 -0.243 0.000 1.236 271 F CA -0.582 57.249 58.000 -0.282 0.000 1.267 271 F CB -0.829 38.147 39.000 -0.041 0.000 1.632 271 F HN 0.345 nan 8.300 nan 0.000 0.639 272 N N 1.989 120.542 118.700 -0.246 0.000 2.989 272 N HA 0.211 4.951 4.740 0.001 0.000 0.338 272 N C 0.771 176.109 175.510 -0.285 0.000 1.369 272 N CA -0.467 52.429 53.050 -0.257 0.000 0.794 272 N CB 0.499 38.865 38.487 -0.201 0.000 1.359 272 N HN 0.176 nan 8.380 nan 0.000 0.609 273 E N -0.552 119.507 120.200 -0.235 0.000 2.442 273 E HA -0.021 4.329 4.350 0.001 0.000 0.195 273 E C 1.345 177.848 176.600 -0.162 0.000 1.030 273 E CA 0.514 56.790 56.400 -0.207 0.000 0.869 273 E CB -0.457 29.142 29.700 -0.168 0.000 0.857 273 E HN 0.717 nan 8.360 nan 0.000 0.505 274 T N -0.610 113.846 114.554 -0.163 0.000 2.977 274 T HA -0.109 4.241 4.350 0.001 0.000 0.271 274 T C 1.536 176.149 174.700 -0.146 0.000 1.105 274 T CA 0.678 62.695 62.100 -0.139 0.000 1.116 274 T CB -0.338 68.448 68.868 -0.136 0.000 0.878 274 T HN 0.158 nan 8.240 nan 0.000 0.509 275 L N 1.193 122.308 121.223 -0.181 0.000 2.675 275 L HA 0.258 4.598 4.340 0.001 0.000 0.239 275 L C 1.088 177.882 176.870 -0.127 0.000 1.151 275 L CA -0.110 54.631 54.840 -0.164 0.000 0.905 275 L CB -0.236 41.684 42.059 -0.232 0.000 1.057 275 L HN 0.226 nan 8.230 nan 0.000 0.435 276 S N -0.358 115.252 115.700 -0.150 0.000 2.561 276 S HA 0.407 4.878 4.470 0.001 0.000 0.303 276 S C -1.578 172.873 174.600 -0.248 0.000 1.110 276 S CA -1.397 56.672 58.200 -0.218 0.000 1.034 276 S CB 1.560 64.687 63.200 -0.121 0.000 1.010 276 S HN -0.113 nan 8.310 nan 0.000 0.482 277 P HA -0.023 nan 4.420 nan 0.000 0.216 277 P C 0.444 177.664 177.300 -0.134 0.000 1.153 277 P CA 0.599 63.542 63.100 -0.262 0.000 0.848 277 P CB -0.261 31.248 31.700 -0.318 0.000 0.787 278 F N 0.916 120.864 119.950 -0.003 0.000 2.637 278 F HA -0.088 4.439 4.527 0.001 0.000 0.372 278 F C 2.200 177.999 175.800 -0.002 0.000 1.107 278 F CA 0.551 58.558 58.000 0.013 0.000 1.325 278 F CB -0.076 38.844 39.000 -0.134 0.000 1.016 278 F HN 0.068 nan 8.300 nan 0.000 0.593 279 T N -0.175 114.538 114.554 0.265 0.000 3.205 279 T HA 0.284 4.634 4.350 0.001 0.000 0.238 279 T C 1.608 176.355 174.700 0.079 0.000 0.974 279 T CA 0.352 62.528 62.100 0.127 0.000 1.246 279 T CB -0.806 68.138 68.868 0.126 0.000 1.007 279 T HN 0.675 nan 8.240 nan 0.000 0.414 280 G N 1.071 110.031 108.800 0.268 0.000 1.905 280 G HA2 0.222 4.183 3.960 0.001 0.000 0.841 280 G HA3 0.222 4.183 3.960 0.001 0.000 0.841 280 G C -0.729 174.224 174.900 0.089 0.000 1.285 280 G CA 0.151 45.492 45.100 0.401 0.000 1.148 280 G HN 0.606 nan 8.290 nan 0.000 0.549 281 Y N -0.899 119.621 120.300 0.368 0.000 2.457 281 Y HA 0.492 5.043 4.550 0.001 0.000 0.343 281 Y C 0.274 176.326 175.900 0.253 0.000 0.994 281 Y CA -0.598 57.626 58.100 0.205 0.000 1.031 281 Y CB 2.674 41.191 38.460 0.095 0.000 1.246 281 Y HN 0.714 nan 8.280 nan 0.000 0.449 282 T N 0.933 115.715 114.554 0.381 0.000 2.887 282 T HA 0.670 5.021 4.350 0.001 0.000 0.288 282 T C -0.811 174.016 174.700 0.212 0.000 1.021 282 T CA -0.773 61.492 62.100 0.275 0.000 1.000 282 T CB 1.596 70.565 68.868 0.168 0.000 1.034 282 T HN 0.440 nan 8.240 nan 0.000 0.467 283 I N 2.893 123.564 120.570 0.170 0.000 2.306 283 I HA 0.365 4.535 4.170 0.001 0.000 0.288 283 I C -0.780 175.431 176.117 0.157 0.000 1.036 283 I CA -0.709 60.665 61.300 0.124 0.000 1.221 283 I CB 0.458 38.494 38.000 0.060 0.000 1.385 283 I HN 0.588 nan 8.210 nan 0.000 0.472 284 F N 8.149 128.102 119.950 0.005 0.000 2.404 284 F HA 0.545 5.072 4.527 0.001 0.000 0.339 284 F C -0.899 174.875 175.800 -0.044 0.000 1.105 284 F CA -0.929 57.063 58.000 -0.014 0.000 1.087 284 F CB 1.299 40.300 39.000 0.002 0.000 1.143 284 F HN 0.234 nan 8.300 nan 0.000 0.491 285 L N 9.138 129.834 121.223 -0.880 0.000 2.337 285 L HA 0.562 4.903 4.340 0.001 0.000 0.269 285 L C -2.523 173.669 176.870 -1.130 0.000 1.018 285 L CA -2.310 52.077 54.840 -0.755 0.000 0.876 285 L CB 0.660 42.460 42.059 -0.433 0.000 1.236 285 L HN 0.398 nan 8.230 nan 0.000 0.436 286 P HA 0.026 nan 4.420 nan 0.000 0.267 286 P C -0.235 176.831 177.300 -0.390 0.000 1.200 286 P CA 0.359 63.090 63.100 -0.616 0.000 0.772 286 P CB 0.337 31.901 31.700 -0.228 0.000 0.855 287 Y N 1.286 121.463 120.300 -0.207 0.000 2.517 287 Y HA 0.245 4.796 4.550 0.001 0.000 0.281 287 Y C 1.215 176.971 175.900 -0.241 0.000 1.125 287 Y CA 0.420 58.428 58.100 -0.152 0.000 1.283 287 Y CB 0.443 38.875 38.460 -0.046 0.000 1.042 287 Y HN 0.216 nan 8.280 nan 0.000 0.547 288 I N -1.018 119.471 120.570 -0.136 0.000 2.984 288 I HA 0.115 4.286 4.170 0.001 0.000 0.303 288 I C -0.833 175.197 176.117 -0.145 0.000 1.381 288 I CA -1.027 60.143 61.300 -0.216 0.000 0.988 288 I CB 2.518 40.227 38.000 -0.486 0.000 1.307 288 I HN -0.238 nan 8.210 nan 0.000 0.460 289 T N 2.972 117.459 114.554 -0.111 0.000 2.728 289 T HA 0.783 5.133 4.350 0.001 0.000 0.296 289 T C -0.530 174.133 174.700 -0.062 0.000 0.940 289 T CA -0.328 61.731 62.100 -0.068 0.000 1.013 289 T CB 0.380 69.222 68.868 -0.044 0.000 0.912 289 T HN 0.354 nan 8.240 nan 0.000 0.484 290 I N 1.477 122.017 120.570 -0.049 0.000 3.004 290 I HA 0.438 4.609 4.170 0.001 0.000 0.305 290 I C -0.769 175.346 176.117 -0.003 0.000 1.312 290 I CA -0.955 60.328 61.300 -0.028 0.000 0.992 290 I CB 3.042 41.006 38.000 -0.060 0.000 1.282 290 I HN 0.652 nan 8.210 nan 0.000 0.449 291 E N 3.110 123.325 120.200 0.026 0.000 2.235 291 E HA 0.513 4.864 4.350 0.001 0.000 0.252 291 E C -1.449 175.192 176.600 0.068 0.000 0.886 291 E CA -0.332 56.090 56.400 0.036 0.000 0.767 291 E CB 1.508 31.227 29.700 0.032 0.000 1.205 291 E HN 0.704 nan 8.360 nan 0.000 0.421 292 T N 0.427 115.029 114.554 0.079 0.000 2.883 292 T HA 0.362 4.713 4.350 0.001 0.000 0.296 292 T C -0.342 174.422 174.700 0.108 0.000 1.117 292 T CA -1.041 61.141 62.100 0.136 0.000 1.006 292 T CB 1.574 70.598 68.868 0.259 0.000 1.191 292 T HN 0.400 nan 8.240 nan 0.000 0.508 293 E N 0.770 121.042 120.200 0.119 0.000 2.223 293 E HA 0.488 4.839 4.350 0.001 0.000 0.282 293 E C -1.275 175.360 176.600 0.058 0.000 1.046 293 E CA -0.659 55.783 56.400 0.070 0.000 0.857 293 E CB 0.563 30.312 29.700 0.081 0.000 1.055 293 E HN 0.483 nan 8.360 nan 0.000 0.409 294 V N 7.124 127.012 119.914 -0.043 0.000 2.409 294 V HA 0.166 4.287 4.120 0.001 0.000 0.290 294 V C 0.204 176.064 176.094 -0.389 0.000 1.017 294 V CA -0.644 61.564 62.300 -0.154 0.000 0.841 294 V CB 1.123 32.899 31.823 -0.078 0.000 1.003 294 V HN 0.898 nan 8.190 nan 0.000 0.426 295 L N 4.986 125.790 121.223 -0.698 0.000 3.660 295 L HA -0.222 4.119 4.340 0.001 0.000 0.440 295 L C 1.144 177.657 176.870 -0.595 0.000 1.262 295 L CA 0.681 54.984 54.840 -0.896 0.000 0.837 295 L CB -1.518 40.114 42.059 -0.712 0.000 1.689 295 L HN 1.188 nan 8.230 nan 0.000 0.890 296 G N 0.056 108.569 108.800 -0.477 0.000 2.225 296 G HA2 -0.098 3.863 3.960 0.001 0.000 0.264 296 G HA3 -0.098 3.863 3.960 0.001 0.000 0.264 296 G C 0.045 174.878 174.900 -0.111 0.000 1.060 296 G CA 0.655 45.649 45.100 -0.178 0.000 0.833 296 G HN 1.615 nan 8.290 nan 0.000 0.498 297 S N -1.474 114.163 115.700 -0.106 0.000 2.579 297 S HA 0.603 5.073 4.470 0.001 0.000 0.290 297 S C -0.415 174.162 174.600 -0.039 0.000 1.123 297 S CA -0.953 57.210 58.200 -0.061 0.000 0.894 297 S CB 1.282 64.438 63.200 -0.073 0.000 1.095 297 S HN 0.823 nan 8.310 nan 0.000 0.450 298 I N 2.828 123.393 120.570 -0.008 0.000 2.696 298 I HA 0.361 4.532 4.170 0.001 0.000 0.284 298 I C -0.201 175.919 176.117 0.004 0.000 1.129 298 I CA -0.371 60.935 61.300 0.010 0.000 1.410 298 I CB 0.563 38.576 38.000 0.022 0.000 1.399 298 I HN 0.618 nan 8.210 nan 0.000 0.579 299 I N 5.603 126.181 120.570 0.014 0.000 2.569 299 I HA 0.262 4.433 4.170 0.001 0.000 0.290 299 I C -0.513 175.615 176.117 0.019 0.000 1.088 299 I CA -0.845 60.462 61.300 0.012 0.000 1.047 299 I CB 2.032 40.036 38.000 0.007 0.000 1.237 299 I HN 0.463 nan 8.210 nan 0.000 0.421 300 K N 7.033 127.444 120.400 0.018 0.000 2.262 300 K HA 0.588 4.908 4.320 0.001 0.000 0.282 300 K C -1.101 175.510 176.600 0.019 0.000 1.066 300 K CA -0.399 55.898 56.287 0.016 0.000 0.901 300 K CB 1.256 33.763 32.500 0.011 0.000 1.089 300 K HN 0.437 nan 8.250 nan 0.000 0.476 301 L N 3.646 124.876 121.223 0.012 0.000 2.325 301 L HA 0.358 4.699 4.340 0.001 0.000 0.281 301 L C -0.321 176.539 176.870 -0.015 0.000 1.004 301 L CA -0.785 54.064 54.840 0.016 0.000 0.823 301 L CB 1.347 43.424 42.059 0.030 0.000 1.236 301 L HN 0.558 nan 8.230 nan 0.000 0.415 302 N N 3.238 121.924 118.700 -0.023 0.000 2.392 302 N HA 0.297 5.038 4.740 0.001 0.000 0.283 302 N C -0.417 175.054 175.510 -0.065 0.000 1.003 302 N CA -0.713 52.314 53.050 -0.039 0.000 0.892 302 N CB 2.544 41.014 38.487 -0.029 0.000 1.193 302 N HN 0.540 nan 8.380 nan 0.000 0.487 303 R N 0.671 121.128 120.500 -0.071 0.000 2.758 303 R HA 0.010 4.350 4.340 0.001 0.000 0.263 303 R C 1.318 177.566 176.300 -0.087 0.000 1.010 303 R CA 1.613 57.661 56.100 -0.086 0.000 1.114 303 R CB -0.025 30.238 30.300 -0.062 0.000 0.985 303 R HN 0.812 nan 8.270 nan 0.000 0.439 304 G N 3.483 112.216 108.800 -0.111 0.000 2.494 304 G HA2 -0.348 3.613 3.960 0.001 0.000 0.252 304 G HA3 -0.348 3.613 3.960 0.001 0.000 0.252 304 G C 0.391 175.228 174.900 -0.105 0.000 1.025 304 G CA 0.709 45.747 45.100 -0.102 0.000 0.638 304 G HN 0.595 nan 8.290 nan 0.000 0.544 305 I N 4.315 124.828 120.570 -0.094 0.000 2.421 305 I HA 0.211 4.382 4.170 0.001 0.000 0.291 305 I C -1.423 174.638 176.117 -0.094 0.000 1.089 305 I CA -1.753 59.501 61.300 -0.076 0.000 1.354 305 I CB 0.723 38.693 38.000 -0.051 0.000 1.413 305 I HN 0.043 nan 8.210 nan 0.000 0.513 306 P HA 0.283 nan 4.420 nan 0.000 0.272 306 P C -0.645 176.636 177.300 -0.032 0.000 1.223 306 P CA 0.116 63.165 63.100 -0.086 0.000 0.784 306 P CB 1.349 33.008 31.700 -0.068 0.000 0.923 307 I N 0.564 121.142 120.570 0.013 0.000 2.722 307 I HA 0.341 4.512 4.170 0.001 0.000 0.295 307 I C 0.180 176.347 176.117 0.084 0.000 1.161 307 I CA -0.909 60.425 61.300 0.056 0.000 1.032 307 I CB 2.888 40.954 38.000 0.110 0.000 1.244 307 I HN 0.184 nan 8.210 nan 0.000 0.421 308 K N 6.748 127.173 120.400 0.042 0.000 2.292 308 K HA 0.692 5.013 4.320 0.001 0.000 0.270 308 K C -1.333 175.309 176.600 0.070 0.000 1.062 308 K CA -0.229 56.081 56.287 0.038 0.000 0.916 308 K CB 0.681 33.143 32.500 -0.063 0.000 1.166 308 K HN 0.530 nan 8.250 nan 0.000 0.458 309 I N 2.130 122.810 120.570 0.184 0.000 3.108 309 I HA 0.332 4.503 4.170 0.001 0.000 0.312 309 I C -0.274 176.091 176.117 0.414 0.000 1.095 309 I CA -1.456 59.989 61.300 0.241 0.000 1.000 309 I CB 1.764 39.839 38.000 0.125 0.000 1.229 309 I HN 0.384 nan 8.210 nan 0.000 0.454 310 K N 0.749 121.318 120.400 0.282 0.000 2.436 310 K HA 0.094 4.415 4.320 0.001 0.000 0.275 310 K C 0.972 177.564 176.600 -0.014 0.000 0.999 310 K CA 0.288 56.558 56.287 -0.028 0.000 0.980 310 K CB 0.683 33.111 32.500 -0.121 0.000 0.919 310 K HN 0.524 nan 8.250 nan 0.000 0.484 311 S N 0.987 116.656 115.700 -0.051 0.000 2.387 311 S HA -0.192 4.279 4.470 0.001 0.000 0.230 311 S C 1.516 176.041 174.600 -0.125 0.000 1.035 311 S CA 1.747 59.888 58.200 -0.099 0.000 1.014 311 S CB -0.149 63.006 63.200 -0.074 0.000 0.836 311 S HN 0.687 nan 8.310 nan 0.000 0.466 312 S N 1.913 117.588 115.700 -0.041 0.000 2.365 312 S HA -0.133 4.338 4.470 0.001 0.000 0.221 312 S C 1.795 176.388 174.600 -0.013 0.000 1.037 312 S CA 1.649 59.850 58.200 0.001 0.000 1.060 312 S CB -0.629 62.539 63.200 -0.052 0.000 0.974 312 S HN 0.487 nan 8.310 nan 0.000 0.427 313 I N 1.983 122.516 120.570 -0.062 0.000 2.286 313 I HA -0.106 4.064 4.170 0.001 0.000 0.248 313 I C 2.712 178.771 176.117 -0.096 0.000 1.115 313 I CA 1.076 62.330 61.300 -0.077 0.000 1.392 313 I CB -0.987 36.956 38.000 -0.094 0.000 1.065 313 I HN 0.390 nan 8.210 nan 0.000 0.418 314 G N 1.402 110.129 108.800 -0.122 0.000 2.433 314 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 314 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 314 G C 1.625 176.404 174.900 -0.201 0.000 1.186 314 G CA 0.820 45.800 45.100 -0.201 0.000 0.779 314 G HN 0.283 nan 8.290 nan 0.000 0.543 315 I N -0.657 119.808 120.570 -0.176 0.000 2.315 315 I HA -0.073 4.097 4.170 0.001 0.000 0.248 315 I C 2.335 178.482 176.117 0.051 0.000 1.117 315 I CA 0.826 62.038 61.300 -0.147 0.000 1.404 315 I CB -0.390 37.419 38.000 -0.319 0.000 1.071 315 I HN 0.256 nan 8.210 nan 0.000 0.419 316 Y N 1.497 121.773 120.300 -0.039 0.000 2.014 316 Y HA -0.314 4.236 4.550 0.001 0.000 0.270 316 Y C 2.341 178.240 175.900 -0.002 0.000 1.145 316 Y CA 1.928 60.037 58.100 0.015 0.000 1.106 316 Y CB -0.562 37.886 38.460 -0.021 0.000 0.968 316 Y HN -0.015 nan 8.280 nan 0.000 0.484 317 L N -0.494 120.739 121.223 0.017 0.000 2.129 317 L HA -0.298 4.043 4.340 0.001 0.000 0.212 317 L C 2.457 179.264 176.870 -0.105 0.000 1.087 317 L CA 1.816 56.553 54.840 -0.171 0.000 0.757 317 L CB -0.845 40.862 42.059 -0.586 0.000 0.896 317 L HN 0.413 nan 8.230 nan 0.000 0.434 318 H N 0.366 119.345 119.070 -0.152 0.000 2.321 318 H HA -0.121 4.435 4.556 0.001 0.000 0.300 318 H C 2.050 177.432 175.328 0.089 0.000 1.087 318 H CA 1.702 57.794 56.048 0.073 0.000 1.319 318 H CB 0.005 29.790 29.762 0.039 0.000 1.379 318 H HN 0.181 nan 8.280 nan 0.000 0.501 319 L N -0.442 120.815 121.223 0.057 0.000 2.478 319 L HA 0.037 4.377 4.340 0.001 0.000 0.223 319 L C 2.000 178.862 176.870 -0.014 0.000 1.140 319 L CA 0.341 55.194 54.840 0.021 0.000 0.842 319 L CB -0.055 42.052 42.059 0.080 0.000 0.953 319 L HN 0.060 nan 8.230 nan 0.000 0.452 320 R N 0.246 120.712 120.500 -0.056 0.000 2.275 320 R HA 0.036 4.377 4.340 0.001 0.000 0.199 320 R C 0.468 176.892 176.300 0.206 0.000 0.989 320 R CA 0.163 56.273 56.100 0.016 0.000 1.016 320 R CB -0.384 29.890 30.300 -0.044 0.000 0.918 320 R HN 0.258 nan 8.270 nan 0.000 0.473 321 N N -1.744 117.058 118.700 0.170 0.000 2.997 321 N HA -0.158 4.583 4.740 0.001 0.000 0.214 321 N C 0.290 176.088 175.510 0.480 0.000 0.904 321 N CA 0.887 54.097 53.050 0.267 0.000 1.021 321 N CB -1.465 37.148 38.487 0.211 0.000 1.040 321 N HN 0.198 nan 8.380 nan 0.000 0.573 322 L N -0.648 120.790 121.223 0.359 0.000 2.478 322 L HA 0.276 4.617 4.340 0.001 0.000 0.223 322 L C 1.496 178.710 176.870 0.573 0.000 1.140 322 L CA 1.088 56.119 54.840 0.319 0.000 0.842 322 L CB -0.195 41.875 42.059 0.018 0.000 0.953 322 L HN 0.421 nan 8.230 nan 0.000 0.452 323 G N -0.737 108.446 108.800 0.639 0.000 2.356 323 G HA2 0.249 4.210 3.960 0.001 0.000 0.281 323 G HA3 0.249 4.210 3.960 0.001 0.000 0.281 323 G C -1.660 173.267 174.900 0.045 0.000 1.246 323 G CA -0.659 44.311 45.100 -0.216 0.000 0.889 323 G HN 0.001 nan 8.290 nan 0.000 0.486 324 E N -1.061 119.044 120.200 -0.159 0.000 2.317 324 E HA 0.531 4.882 4.350 0.001 0.000 0.270 324 E C -1.119 175.681 176.600 0.333 0.000 0.885 324 E CA -0.855 55.744 56.400 0.332 0.000 0.760 324 E CB 3.178 32.897 29.700 0.033 0.000 1.227 324 E HN 0.271 nan 8.360 nan 0.000 0.434 325 V N 3.938 124.005 119.914 0.254 0.000 2.389 325 V HA 0.067 4.187 4.120 0.001 0.000 0.264 325 V C 0.850 176.957 176.094 0.022 0.000 1.049 325 V CA -0.214 62.151 62.300 0.109 0.000 0.932 325 V CB 0.786 32.550 31.823 -0.098 0.000 1.011 325 V HN 0.581 nan 8.190 nan 0.000 0.475 326 K N 3.248 123.672 120.400 0.040 0.000 2.211 326 K HA 0.400 4.721 4.320 0.001 0.000 0.201 326 K C 0.565 177.183 176.600 0.030 0.000 1.052 326 K CA 0.864 57.157 56.287 0.009 0.000 0.973 326 K CB 0.520 33.006 32.500 -0.023 0.000 0.766 326 K HN 0.739 nan 8.250 nan 0.000 0.466 327 A N 0.277 123.139 122.820 0.071 0.000 2.594 327 A HA 0.482 4.803 4.320 0.001 0.000 0.295 327 A C -1.974 175.725 177.584 0.192 0.000 1.071 327 A CA -0.733 51.360 52.037 0.094 0.000 0.685 327 A CB 1.025 20.053 19.000 0.047 0.000 1.285 327 A HN 0.117 nan 8.150 nan 0.000 0.405 328 Y N 1.774 122.110 120.300 0.060 0.000 2.331 328 Y HA 0.628 5.179 4.550 0.001 0.000 0.338 328 Y C -1.249 174.699 175.900 0.079 0.000 0.992 328 Y CA -1.299 56.865 58.100 0.107 0.000 1.121 328 Y CB 1.511 40.006 38.460 0.057 0.000 1.184 328 Y HN 0.459 nan 8.280 nan 0.000 0.469 329 V N 8.456 128.243 119.914 -0.212 0.000 2.378 329 V HA 0.449 4.570 4.120 0.001 0.000 0.288 329 V C 0.207 176.063 176.094 -0.397 0.000 1.016 329 V CA -0.853 61.255 62.300 -0.321 0.000 0.840 329 V CB 1.194 32.989 31.823 -0.048 0.000 0.994 329 V HN 0.883 nan 8.190 nan 0.000 0.431 330 R N 0.000 120.137 120.500 -0.605 0.000 2.786 330 R HA 0.000 4.341 4.340 0.001 0.000 0.208 330 R CA 0.000 55.945 56.100 -0.258 0.000 0.921 330 R CB 0.000 30.172 30.300 -0.213 0.000 0.687 330 R HN 0.000 nan 8.270 nan 0.000 0.535