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 1ec9_1_C DATA FIRST_RESID 4 DATA SEQUENCE QFTTPVVTEM QVIPVAGHDS MLMNLSGAHA PFFTRNIVII KDNSGHTGVG DATA SEQUENCE EIPGGEKIRK TLEDAIPLVV GKTLGEYKNV LTLVRNTFAD RDAGGRGLQT DATA SEQUENCE FDLRTTIHVV TGIEAAMLDL LGQHLGVNVA SLLGDGQQRS EVEMLGYLFF DATA SEQUENCE VGNRKATPLP YQSQPDDSCD WYRLRHEEAM TPDAVVRLAE AAYEKYGFND DATA SEQUENCE FKLKGGVLAG EEEAESIVAL AQRFPQARIT LDPNGAWSLN EAIKIGKYLK DATA SEQUENCE GSLAYAEDPC GAEQGFSGRE VMAEFRRATG LPTATNMIAT DWRQMGHTLS DATA SEQUENCE LQSVDIPLAD PHFWTMQGSV RVAQMCHEFG LTWGSHSNNH FDISLAMFTH DATA SEQUENCE VAAAAPGKIT AIDTHWIWQE GNQRLTKEPF EIKGGLVQVP EKPGLGVEID DATA SEQUENCE MDQVMKAHEL YQKHGLGARD DAMGMQYLIP GWTFDNKRPC MVR 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.793 176.000 -0.346 0.000 1.003 4 Q CA 0.000 55.700 55.803 -0.171 0.000 1.022 4 Q CB 0.000 28.761 28.738 0.038 0.000 1.108 5 F N 1.587 121.556 119.950 0.032 0.000 2.434 5 F HA 0.347 4.886 4.527 0.020 0.000 0.316 5 F C 0.125 175.968 175.800 0.071 0.000 1.222 5 F CA -0.445 57.587 58.000 0.053 0.000 1.207 5 F CB 0.850 39.874 39.000 0.040 0.000 1.466 5 F HN 0.486 nan 8.300 nan 0.000 0.545 6 T N -2.670 111.982 114.554 0.163 0.000 2.909 6 T HA 0.406 4.769 4.350 0.020 0.000 0.289 6 T C 0.182 174.932 174.700 0.082 0.000 1.005 6 T CA -0.679 61.483 62.100 0.102 0.000 1.084 6 T CB 1.929 70.817 68.868 0.034 0.000 0.975 6 T HN 0.285 nan 8.240 nan 0.000 0.509 7 T N 2.891 117.432 114.554 -0.021 0.000 2.837 7 T HA 0.550 4.912 4.350 0.020 0.000 0.285 7 T C -2.528 172.023 174.700 -0.249 0.000 0.984 7 T CA -1.795 60.156 62.100 -0.248 0.000 1.049 7 T CB 0.241 69.033 68.868 -0.126 0.000 0.947 7 T HN 0.532 nan 8.240 nan 0.000 0.472 8 P HA 0.401 nan 4.420 nan 0.000 0.276 8 P C -0.889 176.334 177.300 -0.128 0.000 1.252 8 P CA -0.571 62.404 63.100 -0.208 0.000 0.802 8 P CB 0.606 32.178 31.700 -0.213 0.000 1.035 9 V N -1.392 118.473 119.914 -0.082 0.000 2.715 9 V HA 0.485 4.617 4.120 0.020 0.000 0.310 9 V C -0.226 175.846 176.094 -0.036 0.000 1.054 9 V CA -1.071 61.201 62.300 -0.046 0.000 0.928 9 V CB 1.739 33.544 31.823 -0.031 0.000 1.007 9 V HN 0.209 nan 8.190 nan 0.000 0.437 10 V N 4.494 124.399 119.914 -0.016 0.000 2.521 10 V HA 0.215 4.347 4.120 0.020 0.000 0.286 10 V C 1.653 177.743 176.094 -0.008 0.000 1.034 10 V CA 0.930 63.226 62.300 -0.007 0.000 1.045 10 V CB 0.699 32.527 31.823 0.009 0.000 0.974 10 V HN 1.212 nan 8.190 nan 0.000 0.480 11 T N 1.387 115.935 114.554 -0.010 0.000 3.042 11 T HA 0.265 4.628 4.350 0.020 0.000 0.245 11 T C 0.299 174.996 174.700 -0.005 0.000 1.029 11 T CA -0.011 62.083 62.100 -0.010 0.000 1.120 11 T CB 0.266 69.125 68.868 -0.016 0.000 0.917 11 T HN 0.729 nan 8.240 nan 0.000 0.467 12 E N 0.135 120.333 120.200 -0.003 0.000 2.430 12 E HA 0.681 5.044 4.350 0.020 0.000 0.279 12 E C -1.467 175.133 176.600 -0.000 0.000 1.003 12 E CA -1.000 55.399 56.400 -0.003 0.000 0.801 12 E CB 2.421 32.116 29.700 -0.008 0.000 1.313 12 E HN 0.254 nan 8.360 nan 0.000 0.459 13 M N 1.849 121.448 119.600 -0.001 0.000 2.413 13 M HA 0.271 4.763 4.480 0.020 0.000 0.287 13 M C -2.340 173.953 176.300 -0.012 0.000 1.186 13 M CA -0.178 55.121 55.300 -0.001 0.000 0.927 13 M CB 2.536 35.144 32.600 0.012 0.000 1.715 13 M HN 0.697 nan 8.290 nan 0.000 0.478 14 Q N 2.938 122.725 119.800 -0.022 0.000 2.435 14 Q HA 0.715 5.067 4.340 0.020 0.000 0.282 14 Q C -2.250 173.720 176.000 -0.050 0.000 1.020 14 Q CA -1.012 54.767 55.803 -0.040 0.000 0.820 14 Q CB 2.765 31.470 28.738 -0.054 0.000 1.436 14 Q HN 0.650 nan 8.270 nan 0.000 0.395 15 V N 3.859 123.735 119.914 -0.063 0.000 2.495 15 V HA 0.706 4.838 4.120 0.020 0.000 0.298 15 V C -1.401 174.618 176.094 -0.125 0.000 1.031 15 V CA -0.670 61.586 62.300 -0.074 0.000 0.871 15 V CB 1.405 33.197 31.823 -0.051 0.000 0.988 15 V HN 0.823 nan 8.190 nan 0.000 0.432 16 I N 8.743 129.222 120.570 -0.152 0.000 2.468 16 I HA 0.450 4.633 4.170 0.020 0.000 0.284 16 I C -2.578 173.413 176.117 -0.210 0.000 1.038 16 I CA -1.956 59.203 61.300 -0.235 0.000 1.083 16 I CB 2.451 40.278 38.000 -0.288 0.000 1.223 16 I HN 0.469 nan 8.210 nan 0.000 0.443 17 P HA 0.248 nan 4.420 nan 0.000 0.280 17 P C -0.662 176.349 177.300 -0.481 0.000 1.244 17 P CA -0.123 62.666 63.100 -0.518 0.000 0.784 17 P CB 1.575 32.670 31.700 -1.008 0.000 0.913 18 V N -0.611 119.065 119.914 -0.398 0.000 3.167 18 V HA 1.007 5.139 4.120 0.020 0.000 0.310 18 V C -1.073 174.988 176.094 -0.054 0.000 1.207 18 V CA -1.459 60.732 62.300 -0.182 0.000 1.059 18 V CB 1.561 33.278 31.823 -0.177 0.000 1.079 18 V HN 0.724 nan 8.190 nan 0.000 0.446 19 A N -0.270 122.544 122.820 -0.010 0.000 2.539 19 A HA 1.051 5.384 4.320 0.020 0.000 0.296 19 A C -0.182 177.317 177.584 -0.142 0.000 1.073 19 A CA -0.118 51.862 52.037 -0.095 0.000 0.700 19 A CB 1.614 20.577 19.000 -0.061 0.000 1.296 19 A HN 2.202 nan 8.150 nan 0.000 0.405 20 G N -0.293 108.152 108.800 -0.592 0.000 2.818 20 G HA2 0.637 4.609 3.960 0.020 0.000 0.286 20 G HA3 0.637 4.609 3.960 0.020 0.000 0.286 20 G C -1.144 173.594 174.900 -0.271 0.000 1.364 20 G CA -0.619 44.259 45.100 -0.370 0.000 0.938 20 G HN 0.748 nan 8.290 nan 0.000 0.490 21 H N 0.002 119.221 119.070 0.248 0.000 2.487 21 H HA 0.507 5.075 4.556 0.020 0.000 0.333 21 H C -1.024 174.468 175.328 0.275 0.000 1.114 21 H CA -0.042 56.125 56.048 0.197 0.000 1.310 21 H CB 2.318 32.144 29.762 0.107 0.000 1.462 21 H HN 0.447 nan 8.280 nan 0.000 0.516 22 D N 0.053 120.606 120.400 0.255 0.000 2.552 22 D HA 0.277 4.929 4.640 0.020 0.000 0.239 22 D C -0.566 175.829 176.300 0.159 0.000 1.139 22 D CA -0.452 53.650 54.000 0.170 0.000 0.914 22 D CB 2.059 42.932 40.800 0.121 0.000 1.461 22 D HN 0.364 nan 8.370 nan 0.000 0.462 23 S N 0.391 116.105 115.700 0.023 0.000 2.693 23 S HA 0.273 4.755 4.470 0.020 0.000 0.276 23 S C 0.646 175.122 174.600 -0.206 0.000 1.192 23 S CA -0.661 57.510 58.200 -0.049 0.000 0.994 23 S CB 0.817 63.908 63.200 -0.181 0.000 1.012 23 S HN 0.562 nan 8.310 nan 0.000 0.550 24 M N 2.568 121.901 119.600 -0.444 0.000 3.763 24 M HA 0.172 4.664 4.480 0.020 0.000 0.183 24 M C -1.184 174.838 176.300 -0.463 0.000 1.544 24 M CA -0.002 54.956 55.300 -0.569 0.000 1.722 24 M CB -0.997 31.058 32.600 -0.910 0.000 1.155 24 M HN 0.419 nan 8.290 nan 0.000 0.528 25 L N 3.165 123.999 121.223 -0.649 0.000 2.477 25 L HA 0.146 4.498 4.340 0.020 0.000 0.272 25 L C 0.066 176.622 176.870 -0.525 0.000 1.157 25 L CA -0.198 54.072 54.840 -0.950 0.000 0.889 25 L CB 0.195 40.993 42.059 -2.103 0.000 1.158 25 L HN 0.429 nan 8.230 nan 0.000 0.473 26 M N 4.145 123.641 119.600 -0.174 0.000 2.249 26 M HA 0.337 4.829 4.480 0.020 0.000 0.351 26 M C -0.095 176.313 176.300 0.180 0.000 1.180 26 M CA -0.149 55.158 55.300 0.013 0.000 1.127 26 M CB 0.832 33.468 32.600 0.061 0.000 1.546 26 M HN 0.757 nan 8.290 nan 0.000 0.461 27 N N 0.333 119.138 118.700 0.174 0.000 3.308 27 N HA 0.341 5.094 4.740 0.020 0.000 0.276 27 N C -0.126 175.536 175.510 0.253 0.000 1.533 27 N CA -0.901 52.300 53.050 0.251 0.000 0.878 27 N CB 0.950 39.645 38.487 0.346 0.000 1.566 27 N HN 0.280 nan 8.380 nan 0.000 0.546 28 L N 0.225 121.621 121.223 0.288 0.000 2.079 28 L HA 0.028 4.380 4.340 0.020 0.000 0.210 28 L C 1.749 178.987 176.870 0.613 0.000 1.081 28 L CA 1.885 56.946 54.840 0.368 0.000 0.752 28 L CB -0.693 41.552 42.059 0.309 0.000 0.896 28 L HN 0.759 nan 8.230 nan 0.000 0.433 29 S N -0.823 115.199 115.700 0.535 0.000 2.481 29 S HA 0.297 4.779 4.470 0.020 0.000 0.231 29 S C 0.920 175.790 174.600 0.449 0.000 0.996 29 S CA 0.601 59.114 58.200 0.520 0.000 0.942 29 S CB -0.172 63.222 63.200 0.323 0.000 0.768 29 S HN 0.817 nan 8.310 nan 0.000 0.520 30 G N 0.369 109.280 108.800 0.185 0.000 2.233 30 G HA2 0.366 4.338 3.960 0.020 0.000 0.162 30 G HA3 0.366 4.338 3.960 0.020 0.000 0.162 30 G C -1.461 173.361 174.900 -0.129 0.000 1.327 30 G CA -0.376 44.568 45.100 -0.260 0.000 1.187 30 G HN 0.642 nan 8.290 nan 0.000 0.479 31 A N -0.212 122.536 122.820 -0.121 0.000 2.343 31 A HA 0.790 5.122 4.320 0.020 0.000 0.316 31 A C -0.200 177.436 177.584 0.086 0.000 1.104 31 A CA -0.379 51.637 52.037 -0.035 0.000 0.768 31 A CB 0.418 19.378 19.000 -0.067 0.000 1.213 31 A HN 0.794 nan 8.150 nan 0.000 0.456 32 H N 1.132 120.135 119.070 -0.112 0.000 2.972 32 H HA 0.252 4.820 4.556 0.020 0.000 0.343 32 H C 1.037 176.381 175.328 0.027 0.000 1.054 32 H CA 0.384 56.368 56.048 -0.107 0.000 1.412 32 H CB 0.963 30.589 29.762 -0.227 0.000 1.385 32 H HN 0.856 nan 8.280 nan 0.000 0.600 33 A N 4.909 127.770 122.820 0.067 0.000 2.313 33 A HA 0.115 4.447 4.320 0.020 0.000 0.261 33 A C -1.290 176.182 177.584 -0.187 0.000 1.090 33 A CA -1.342 50.669 52.037 -0.045 0.000 0.807 33 A CB 0.038 18.994 19.000 -0.073 0.000 1.055 33 A HN 0.545 nan 8.150 nan 0.000 0.492 34 P HA -0.043 nan 4.420 nan 0.000 0.221 34 P C -0.309 176.541 177.300 -0.750 0.000 1.145 34 P CA 1.265 63.800 63.100 -0.942 0.000 0.795 34 P CB -0.050 30.777 31.700 -1.456 0.000 0.775 35 F N -0.423 119.406 119.950 -0.201 0.000 2.532 35 F HA 0.491 5.030 4.527 0.020 0.000 0.321 35 F C 0.296 176.049 175.800 -0.078 0.000 1.089 35 F CA -1.484 56.395 58.000 -0.202 0.000 0.926 35 F CB 1.046 39.851 39.000 -0.325 0.000 1.168 35 F HN -0.254 nan 8.300 nan 0.000 0.459 36 F N -0.355 119.609 119.950 0.023 0.000 2.561 36 F HA 0.907 5.446 4.527 0.021 0.000 0.321 36 F C -0.497 175.325 175.800 0.036 0.000 1.065 36 F CA -1.002 56.965 58.000 -0.055 0.000 0.934 36 F CB 1.492 40.398 39.000 -0.158 0.000 1.215 36 F HN 0.508 nan 8.300 nan 0.000 0.471 37 T N 0.630 115.205 114.554 0.035 0.000 2.924 37 T HA 0.877 5.239 4.350 0.020 0.000 0.291 37 T C -0.721 174.050 174.700 0.118 0.000 1.045 37 T CA -0.976 61.147 62.100 0.039 0.000 1.015 37 T CB 2.166 71.155 68.868 0.203 0.000 1.103 37 T HN 0.853 nan 8.240 nan 0.000 0.496 38 R N 1.077 121.633 120.500 0.095 0.000 2.752 38 R HA 0.509 4.861 4.340 0.020 0.000 0.271 38 R C -1.369 174.934 176.300 0.005 0.000 1.026 38 R CA -0.886 55.284 56.100 0.117 0.000 0.901 38 R CB 1.287 31.759 30.300 0.286 0.000 1.243 38 R HN 0.715 nan 8.270 nan 0.000 0.463 39 N N 1.115 119.825 118.700 0.017 0.000 2.372 39 N HA 0.397 5.149 4.740 0.020 0.000 0.285 39 N C -0.732 174.775 175.510 -0.005 0.000 1.008 39 N CA -0.529 52.501 53.050 -0.033 0.000 0.880 39 N CB 1.791 40.268 38.487 -0.018 0.000 1.239 39 N HN 0.305 nan 8.380 nan 0.000 0.484 40 I N 2.312 122.852 120.570 -0.049 0.000 2.377 40 I HA 0.355 4.537 4.170 0.020 0.000 0.293 40 I C 0.187 176.279 176.117 -0.041 0.000 0.987 40 I CA -0.883 60.393 61.300 -0.040 0.000 1.185 40 I CB 1.377 39.326 38.000 -0.085 0.000 1.341 40 I HN 0.063 nan 8.210 nan 0.000 0.455 41 V N 7.353 127.259 119.914 -0.014 0.000 2.435 41 V HA 0.517 4.649 4.120 0.020 0.000 0.290 41 V C 0.114 176.198 176.094 -0.017 0.000 1.030 41 V CA -0.521 61.773 62.300 -0.010 0.000 0.881 41 V CB 2.006 33.840 31.823 0.018 0.000 0.983 41 V HN 0.435 nan 8.190 nan 0.000 0.445 42 I N 5.997 126.553 120.570 -0.023 0.000 2.439 42 I HA 0.520 4.702 4.170 0.020 0.000 0.285 42 I C -0.785 175.325 176.117 -0.011 0.000 1.021 42 I CA -0.255 61.031 61.300 -0.022 0.000 1.091 42 I CB 1.761 39.740 38.000 -0.036 0.000 1.242 42 I HN 0.417 nan 8.210 nan 0.000 0.439 43 I N 6.101 126.670 120.570 -0.002 0.000 2.433 43 I HA 0.453 4.635 4.170 0.020 0.000 0.292 43 I C -0.301 175.822 176.117 0.009 0.000 1.001 43 I CA -0.737 60.566 61.300 0.006 0.000 1.119 43 I CB 1.996 40.005 38.000 0.015 0.000 1.289 43 I HN 0.470 nan 8.210 nan 0.000 0.438 44 K N 3.858 124.262 120.400 0.008 0.000 2.281 44 K HA 0.542 4.874 4.320 0.020 0.000 0.242 44 K C -1.417 175.185 176.600 0.003 0.000 0.971 44 K CA -0.864 55.429 56.287 0.011 0.000 0.834 44 K CB 2.274 34.776 32.500 0.004 0.000 1.181 44 K HN 0.646 nan 8.250 nan 0.000 0.435 45 D N -0.728 119.670 120.400 -0.004 0.000 2.531 45 D HA 0.063 4.716 4.640 0.020 0.000 0.244 45 D C 0.325 176.588 176.300 -0.061 0.000 1.090 45 D CA -0.748 53.232 54.000 -0.033 0.000 0.989 45 D CB 0.433 41.207 40.800 -0.042 0.000 1.433 45 D HN 0.447 nan 8.370 nan 0.000 0.492 46 N N -0.486 118.171 118.700 -0.072 0.000 2.609 46 N HA -0.155 4.597 4.740 0.020 0.000 0.190 46 N C 0.790 176.232 175.510 -0.113 0.000 1.157 46 N CA 0.959 53.963 53.050 -0.077 0.000 0.918 46 N CB -0.412 38.039 38.487 -0.061 0.000 0.978 46 N HN 0.365 nan 8.380 nan 0.000 0.448 47 S N -1.800 113.793 115.700 -0.177 0.000 2.556 47 S HA 0.341 4.824 4.470 0.020 0.000 0.216 47 S C 1.240 175.621 174.600 -0.364 0.000 0.970 47 S CA 0.138 58.171 58.200 -0.278 0.000 0.912 47 S CB -0.628 62.368 63.200 -0.340 0.000 0.790 47 S HN 0.554 nan 8.310 nan 0.000 0.504 48 G N 0.773 109.451 108.800 -0.203 0.000 2.137 48 G HA2 -0.211 3.761 3.960 0.020 0.000 0.237 48 G HA3 -0.211 3.761 3.960 0.020 0.000 0.237 48 G C -0.165 174.758 174.900 0.039 0.000 1.002 48 G CA 0.246 45.294 45.100 -0.088 0.000 0.702 48 G HN 0.757 nan 8.290 nan 0.000 0.515 49 H N -0.608 118.459 119.070 -0.004 0.000 2.616 49 H HA 0.707 5.275 4.556 0.020 0.000 0.353 49 H C -0.363 174.959 175.328 -0.010 0.000 1.170 49 H CA -0.449 55.597 56.048 -0.003 0.000 1.212 49 H CB 1.915 31.679 29.762 0.003 0.000 1.653 49 H HN 0.136 nan 8.280 nan 0.000 0.537 50 T N 1.308 115.940 114.554 0.129 0.000 2.879 50 T HA 0.409 4.771 4.350 0.020 0.000 0.290 50 T C -0.005 174.707 174.700 0.019 0.000 0.993 50 T CA -0.870 61.260 62.100 0.051 0.000 0.975 50 T CB 1.434 70.318 68.868 0.026 0.000 0.981 50 T HN 0.770 nan 8.240 nan 0.000 0.439 51 G N 1.266 110.072 108.800 0.009 0.000 2.453 51 G HA2 0.756 4.729 3.960 0.020 0.000 0.323 51 G HA3 0.756 4.729 3.960 0.020 0.000 0.323 51 G C -0.595 174.296 174.900 -0.015 0.000 1.198 51 G CA -0.787 44.306 45.100 -0.013 0.000 0.959 51 G HN 0.873 nan 8.290 nan 0.000 0.482 52 V N -1.003 118.896 119.914 -0.025 0.000 3.102 52 V HA 1.055 5.187 4.120 0.020 0.000 0.312 52 V C 0.135 176.221 176.094 -0.013 0.000 1.135 52 V CA -0.400 61.888 62.300 -0.021 0.000 1.022 52 V CB 1.655 33.459 31.823 -0.032 0.000 1.056 52 V HN 1.400 nan 8.190 nan 0.000 0.436 53 G N 0.714 109.516 108.800 0.004 0.000 2.660 53 G HA2 0.705 4.677 3.960 0.020 0.000 0.294 53 G HA3 0.705 4.677 3.960 0.020 0.000 0.294 53 G C -1.770 173.165 174.900 0.057 0.000 1.369 53 G CA -0.511 44.609 45.100 0.033 0.000 0.912 53 G HN 1.154 nan 8.290 nan 0.000 0.479 54 E N -0.354 119.915 120.200 0.115 0.000 2.308 54 E HA 0.657 5.020 4.350 0.020 0.000 0.275 54 E C -0.964 175.782 176.600 0.243 0.000 0.890 54 E CA -0.804 55.692 56.400 0.160 0.000 0.754 54 E CB 2.232 32.048 29.700 0.194 0.000 1.207 54 E HN 0.703 nan 8.360 nan 0.000 0.426 55 I N -1.009 119.669 120.570 0.178 0.000 3.263 55 I HA 0.591 4.773 4.170 0.020 0.000 0.314 55 I C -2.748 173.382 176.117 0.021 0.000 1.269 55 I CA -3.088 58.307 61.300 0.157 0.000 0.942 55 I CB 1.765 39.865 38.000 0.168 0.000 1.305 55 I HN 0.268 nan 8.210 nan 0.000 0.474 56 P HA 0.110 nan 4.420 nan 0.000 0.266 56 P C -0.047 177.236 177.300 -0.029 0.000 1.193 56 P CA 0.269 63.290 63.100 -0.132 0.000 0.770 56 P CB 0.305 31.821 31.700 -0.307 0.000 0.836 57 G N 0.730 109.540 108.800 0.018 0.000 2.580 57 G HA2 0.567 4.539 3.960 0.020 0.000 0.278 57 G HA3 0.567 4.539 3.960 0.020 0.000 0.278 57 G C -0.158 174.786 174.900 0.073 0.000 1.212 57 G CA -0.166 44.966 45.100 0.054 0.000 0.939 57 G HN 0.800 nan 8.290 nan 0.000 0.513 58 G N -0.841 108.026 108.800 0.112 0.000 2.521 58 G HA2 0.211 4.184 3.960 0.020 0.000 0.589 58 G HA3 0.211 4.184 3.960 0.020 0.000 0.589 58 G C 0.152 175.116 174.900 0.106 0.000 1.501 58 G CA 0.479 45.649 45.100 0.116 0.000 0.887 58 G HN 0.820 nan 8.290 nan 0.000 0.654 59 E N 0.996 121.266 120.200 0.116 0.000 2.110 59 E HA -0.070 4.292 4.350 0.020 0.000 0.193 59 E C 2.671 179.298 176.600 0.044 0.000 0.988 59 E CA 3.010 59.464 56.400 0.090 0.000 0.804 59 E CB -0.064 29.689 29.700 0.088 0.000 0.745 59 E HN 1.027 nan 8.360 nan 0.000 0.458 60 K N 0.751 121.175 120.400 0.041 0.000 2.057 60 K HA -0.076 4.256 4.320 0.020 0.000 0.207 60 K C 2.221 178.820 176.600 -0.001 0.000 1.049 60 K CA 1.630 57.927 56.287 0.017 0.000 0.931 60 K CB -1.017 31.500 32.500 0.029 0.000 0.714 60 K HN 0.309 nan 8.250 nan 0.000 0.440 61 I N -0.158 120.430 120.570 0.030 0.000 2.202 61 I HA -0.217 3.965 4.170 0.020 0.000 0.242 61 I C 2.943 179.057 176.117 -0.006 0.000 1.091 61 I CA 1.166 62.483 61.300 0.029 0.000 1.368 61 I CB -0.091 37.955 38.000 0.077 0.000 1.058 61 I HN 0.366 nan 8.210 nan 0.000 0.410 62 R N 1.191 121.692 120.500 0.002 0.000 2.094 62 R HA -0.277 4.076 4.340 0.020 0.000 0.239 62 R C 2.321 178.602 176.300 -0.033 0.000 1.137 62 R CA 2.109 58.200 56.100 -0.015 0.000 0.943 62 R CB -0.176 30.123 30.300 -0.003 0.000 0.850 62 R HN 0.080 nan 8.270 nan 0.000 0.433 63 K N -0.096 120.285 120.400 -0.032 0.000 2.026 63 K HA -0.062 4.270 4.320 0.020 0.000 0.208 63 K C 1.884 178.415 176.600 -0.114 0.000 1.048 63 K CA 2.328 58.585 56.287 -0.049 0.000 0.929 63 K CB -0.549 31.933 32.500 -0.030 0.000 0.713 63 K HN 0.162 nan 8.250 nan 0.000 0.439 64 T N 1.383 115.828 114.554 -0.183 0.000 2.759 64 T HA -0.140 4.222 4.350 0.020 0.000 0.269 64 T C 1.755 176.267 174.700 -0.313 0.000 1.042 64 T CA 1.582 63.444 62.100 -0.396 0.000 1.140 64 T CB -0.242 68.372 68.868 -0.423 0.000 0.864 64 T HN 0.121 nan 8.240 nan 0.000 0.455 65 L N 0.448 121.584 121.223 -0.144 0.000 2.093 65 L HA -0.076 4.276 4.340 0.020 0.000 0.208 65 L C 2.848 179.694 176.870 -0.039 0.000 1.085 65 L CA 1.356 56.157 54.840 -0.065 0.000 0.755 65 L CB -0.387 41.656 42.059 -0.026 0.000 0.904 65 L HN 0.336 nan 8.230 nan 0.000 0.435 66 E N 0.092 120.264 120.200 -0.046 0.000 2.051 66 E HA -0.255 4.107 4.350 0.020 0.000 0.192 66 E C 1.631 178.234 176.600 0.006 0.000 0.991 66 E CA 1.555 57.944 56.400 -0.018 0.000 0.799 66 E CB 0.108 29.798 29.700 -0.017 0.000 0.748 66 E HN 0.430 nan 8.360 nan 0.000 0.449 67 D N 0.319 120.711 120.400 -0.014 0.000 2.123 67 D HA -0.170 4.482 4.640 0.020 0.000 0.196 67 D C 1.756 178.163 176.300 0.178 0.000 0.992 67 D CA 1.451 55.495 54.000 0.075 0.000 0.833 67 D CB -0.378 40.460 40.800 0.063 0.000 0.954 67 D HN 0.296 nan 8.370 nan 0.000 0.455 68 A N 0.476 123.394 122.820 0.163 0.000 2.172 68 A HA -0.090 4.242 4.320 0.020 0.000 0.216 68 A C 2.268 179.938 177.584 0.143 0.000 1.154 68 A CA 0.311 52.503 52.037 0.259 0.000 0.701 68 A CB -0.708 18.444 19.000 0.253 0.000 0.789 68 A HN 0.210 nan 8.150 nan 0.000 0.465 69 I N 0.393 121.016 120.570 0.089 0.000 2.113 69 I HA -0.267 3.916 4.170 0.020 0.000 0.242 69 I C -0.503 175.648 176.117 0.057 0.000 1.057 69 I CA 1.937 63.273 61.300 0.059 0.000 1.314 69 I CB -1.104 36.917 38.000 0.036 0.000 1.022 69 I HN 0.252 nan 8.210 nan 0.000 0.408 70 P HA -0.118 nan 4.420 nan 0.000 0.222 70 P C 1.774 179.101 177.300 0.046 0.000 1.147 70 P CA 1.315 64.443 63.100 0.047 0.000 0.790 70 P CB -0.089 31.638 31.700 0.044 0.000 0.780 71 L N -1.715 119.546 121.223 0.064 0.000 2.291 71 L HA -0.052 4.300 4.340 0.020 0.000 0.214 71 L C 2.062 178.961 176.870 0.049 0.000 1.120 71 L CA 0.917 55.788 54.840 0.052 0.000 0.799 71 L CB -0.460 41.642 42.059 0.072 0.000 0.925 71 L HN -0.088 nan 8.230 nan 0.000 0.446 72 V N -1.451 118.496 119.914 0.055 0.000 2.627 72 V HA 0.035 4.167 4.120 0.020 0.000 0.239 72 V C 1.210 177.326 176.094 0.038 0.000 1.077 72 V CA 0.019 62.350 62.300 0.052 0.000 1.103 72 V CB 0.588 32.447 31.823 0.059 0.000 0.802 72 V HN -0.052 nan 8.190 nan 0.000 0.482 73 V N 1.846 121.779 119.914 0.031 0.000 2.720 73 V HA 0.336 4.469 4.120 0.020 0.000 0.307 73 V C 1.534 177.638 176.094 0.015 0.000 1.071 73 V CA 1.661 63.973 62.300 0.020 0.000 1.199 73 V CB -0.091 31.742 31.823 0.016 0.000 0.900 73 V HN 0.816 nan 8.190 nan 0.000 0.494 74 G N 3.389 112.195 108.800 0.008 0.000 2.176 74 G HA2 -0.199 3.773 3.960 0.020 0.000 0.253 74 G HA3 -0.199 3.773 3.960 0.020 0.000 0.253 74 G C 0.203 175.106 174.900 0.006 0.000 0.979 74 G CA 0.061 45.164 45.100 0.004 0.000 0.641 74 G HN 0.560 nan 8.290 nan 0.000 0.530 75 K N 1.314 121.722 120.400 0.013 0.000 2.098 75 K HA 0.578 4.910 4.320 0.020 0.000 0.261 75 K C 0.837 177.444 176.600 0.012 0.000 0.987 75 K CA 0.228 56.525 56.287 0.017 0.000 0.916 75 K CB 1.232 33.750 32.500 0.031 0.000 1.039 75 K HN 0.447 nan 8.250 nan 0.000 0.455 76 T N -1.655 112.906 114.554 0.012 0.000 2.899 76 T HA 0.254 4.616 4.350 0.020 0.000 0.284 76 T C 1.797 176.510 174.700 0.021 0.000 1.004 76 T CA -0.756 61.343 62.100 -0.003 0.000 1.043 76 T CB 0.462 69.324 68.868 -0.009 0.000 1.013 76 T HN 0.449 nan 8.240 nan 0.000 0.518 77 L N 1.374 122.592 121.223 -0.009 0.000 2.129 77 L HA 0.021 4.373 4.340 0.020 0.000 0.212 77 L C 2.944 179.886 176.870 0.120 0.000 1.087 77 L CA 1.553 56.407 54.840 0.024 0.000 0.757 77 L CB -1.218 40.815 42.059 -0.044 0.000 0.896 77 L HN 0.970 nan 8.230 nan 0.000 0.434 78 G N -0.146 108.714 108.800 0.100 0.000 2.498 78 G HA2 -0.179 3.793 3.960 0.020 0.000 0.219 78 G HA3 -0.179 3.793 3.960 0.020 0.000 0.219 78 G C 1.289 176.289 174.900 0.166 0.000 1.119 78 G CA 0.258 45.451 45.100 0.155 0.000 0.766 78 G HN 0.507 nan 8.290 nan 0.000 0.552 79 E N -0.082 120.192 120.200 0.124 0.000 2.489 79 E HA 0.019 4.381 4.350 0.020 0.000 0.193 79 E C 1.694 178.340 176.600 0.077 0.000 1.057 79 E CA -0.160 56.283 56.400 0.072 0.000 0.866 79 E CB -0.155 29.573 29.700 0.047 0.000 0.916 79 E HN 0.744 nan 8.360 nan 0.000 0.500 80 Y N 1.865 122.175 120.300 0.016 0.000 2.102 80 Y HA -0.308 4.254 4.550 0.020 0.000 0.280 80 Y C 1.661 177.578 175.900 0.028 0.000 1.178 80 Y CA 1.482 59.595 58.100 0.023 0.000 1.146 80 Y CB -0.490 37.985 38.460 0.024 0.000 0.968 80 Y HN -0.189 nan 8.280 nan 0.000 0.504 81 K N 0.202 120.112 120.400 -0.818 0.000 2.097 81 K HA -0.142 4.190 4.320 0.020 0.000 0.206 81 K C 1.817 178.274 176.600 -0.237 0.000 1.049 81 K CA 1.372 57.291 56.287 -0.613 0.000 0.933 81 K CB -0.262 31.896 32.500 -0.570 0.000 0.717 81 K HN 0.404 nan 8.250 nan 0.000 0.442 82 N N 0.687 119.295 118.700 -0.153 0.000 2.216 82 N HA -0.102 4.650 4.740 0.020 0.000 0.183 82 N C 1.925 177.412 175.510 -0.039 0.000 1.017 82 N CA 0.885 53.891 53.050 -0.074 0.000 0.861 82 N CB -0.281 38.179 38.487 -0.045 0.000 0.986 82 N HN -0.051 nan 8.380 nan 0.000 0.428 83 V N 2.150 122.053 119.914 -0.019 0.000 2.261 83 V HA -0.198 3.934 4.120 0.020 0.000 0.246 83 V C 2.464 178.574 176.094 0.027 0.000 1.047 83 V CA 1.281 63.593 62.300 0.019 0.000 1.015 83 V CB -0.688 31.168 31.823 0.055 0.000 0.642 83 V HN 0.205 nan 8.190 nan 0.000 0.446 84 L N -0.245 120.989 121.223 0.019 0.000 2.043 84 L HA -0.227 4.126 4.340 0.020 0.000 0.212 84 L C 2.606 179.496 176.870 0.033 0.000 1.075 84 L CA 2.120 56.984 54.840 0.041 0.000 0.752 84 L CB -1.122 40.959 42.059 0.037 0.000 0.891 84 L HN 0.344 nan 8.230 nan 0.000 0.432 85 T N -0.061 114.492 114.554 -0.002 0.000 2.867 85 T HA -0.143 4.219 4.350 0.020 0.000 0.268 85 T C 1.792 176.492 174.700 0.001 0.000 1.057 85 T CA 1.028 63.127 62.100 -0.001 0.000 1.136 85 T CB -0.145 68.710 68.868 -0.022 0.000 0.874 85 T HN 0.112 nan 8.240 nan 0.000 0.466 86 L N 1.327 122.548 121.223 -0.003 0.000 1.976 86 L HA -0.043 4.309 4.340 0.020 0.000 0.209 86 L C 2.470 179.330 176.870 -0.016 0.000 1.071 86 L CA 1.617 56.447 54.840 -0.017 0.000 0.746 86 L CB -0.868 41.184 42.059 -0.011 0.000 0.890 86 L HN 0.058 nan 8.230 nan 0.000 0.432 87 V N 0.215 120.155 119.914 0.044 0.000 2.282 87 V HA -0.355 3.777 4.120 0.020 0.000 0.249 87 V C 2.779 178.963 176.094 0.150 0.000 1.057 87 V CA 2.294 64.674 62.300 0.133 0.000 1.032 87 V CB -0.866 31.070 31.823 0.189 0.000 0.645 87 V HN 0.547 nan 8.190 nan 0.000 0.447 88 R N 0.287 120.850 120.500 0.105 0.000 2.080 88 R HA -0.208 4.144 4.340 0.020 0.000 0.236 88 R C 2.235 178.570 176.300 0.057 0.000 1.137 88 R CA 2.205 58.364 56.100 0.099 0.000 0.943 88 R CB -0.326 30.019 30.300 0.075 0.000 0.846 88 R HN 0.553 nan 8.270 nan 0.000 0.431 89 N N -0.323 118.379 118.700 0.003 0.000 2.188 89 N HA -0.102 4.651 4.740 0.020 0.000 0.184 89 N C 1.646 177.091 175.510 -0.109 0.000 1.018 89 N CA 1.715 54.744 53.050 -0.035 0.000 0.858 89 N CB -0.546 37.916 38.487 -0.041 0.000 0.989 89 N HN 0.249 nan 8.380 nan 0.000 0.426 90 T N 0.211 114.634 114.554 -0.219 0.000 2.759 90 T HA -0.071 4.291 4.350 0.020 0.000 0.269 90 T C 0.545 174.836 174.700 -0.682 0.000 1.042 90 T CA 1.031 62.822 62.100 -0.516 0.000 1.140 90 T CB -0.168 68.248 68.868 -0.754 0.000 0.864 90 T HN 0.161 nan 8.240 nan 0.000 0.455 91 F N 0.273 120.234 119.950 0.017 0.000 2.908 91 F HA 0.617 5.156 4.527 0.020 0.000 0.328 91 F C 1.483 177.291 175.800 0.014 0.000 1.211 91 F CA -1.272 56.739 58.000 0.018 0.000 1.291 91 F CB -0.677 38.337 39.000 0.024 0.000 0.962 91 F HN 0.032 nan 8.300 nan 0.000 0.505 92 A N 0.812 123.699 122.820 0.112 0.000 1.884 92 A HA -0.332 4.000 4.320 0.020 0.000 0.219 92 A C 2.068 179.699 177.584 0.077 0.000 1.197 92 A CA 2.583 54.668 52.037 0.080 0.000 0.637 92 A CB -1.018 18.004 19.000 0.036 0.000 0.827 92 A HN 0.553 nan 8.150 nan 0.000 0.450 93 D N -0.019 120.426 120.400 0.074 0.000 2.191 93 D HA -0.298 4.354 4.640 0.020 0.000 0.190 93 D C 1.644 177.979 176.300 0.058 0.000 1.007 93 D CA 1.835 55.872 54.000 0.061 0.000 0.865 93 D CB -0.640 40.200 40.800 0.066 0.000 0.929 93 D HN 0.578 nan 8.370 nan 0.000 0.447 94 R N 0.110 120.658 120.500 0.079 0.000 2.371 94 R HA -0.078 4.274 4.340 0.020 0.000 0.226 94 R C 0.200 176.517 176.300 0.028 0.000 1.132 94 R CA 1.203 57.337 56.100 0.055 0.000 1.027 94 R CB -0.432 29.904 30.300 0.059 0.000 0.848 94 R HN 0.460 nan 8.270 nan 0.000 0.479 95 D N -0.340 120.072 120.400 0.020 0.000 2.957 95 D HA 0.204 4.856 4.640 0.020 0.000 0.352 95 D C 0.330 176.624 176.300 -0.010 0.000 1.352 95 D CA -0.021 53.976 54.000 -0.006 0.000 0.831 95 D CB 1.227 42.014 40.800 -0.022 0.000 1.147 95 D HN 0.129 nan 8.370 nan 0.000 0.467 96 A N 0.060 122.879 122.820 -0.002 0.000 2.072 96 A HA 0.137 4.469 4.320 0.020 0.000 0.216 96 A C 2.163 179.738 177.584 -0.015 0.000 1.156 96 A CA 1.142 53.176 52.037 -0.005 0.000 0.701 96 A CB -0.151 18.851 19.000 0.003 0.000 0.816 96 A HN 0.332 nan 8.150 nan 0.000 0.458 97 G N -0.775 108.013 108.800 -0.019 0.000 2.422 97 G HA2 0.349 4.322 3.960 0.020 0.000 0.218 97 G HA3 0.349 4.322 3.960 0.020 0.000 0.218 97 G C 1.148 176.021 174.900 -0.046 0.000 1.140 97 G CA 0.786 45.869 45.100 -0.029 0.000 0.775 97 G HN 1.654 nan 8.290 nan 0.000 0.545 98 G N -0.495 108.272 108.800 -0.054 0.000 2.568 98 G HA2 -0.266 3.706 3.960 0.020 0.000 0.222 98 G HA3 -0.266 3.706 3.960 0.020 0.000 0.222 98 G C 0.860 175.692 174.900 -0.114 0.000 1.321 98 G CA 0.473 45.526 45.100 -0.079 0.000 0.893 98 G HN 0.414 nan 8.290 nan 0.000 0.569 99 R N 0.754 121.166 120.500 -0.147 0.000 2.082 99 R HA 0.217 4.569 4.340 0.020 0.000 0.234 99 R C 1.550 177.727 176.300 -0.205 0.000 1.136 99 R CA 3.014 58.992 56.100 -0.204 0.000 0.935 99 R CB -0.871 29.281 30.300 -0.247 0.000 0.842 99 R HN 2.679 nan 8.270 nan 0.000 0.430 100 G N -1.617 107.080 108.800 -0.173 0.000 2.541 100 G HA2 -0.160 3.812 3.960 0.020 0.000 0.686 100 G HA3 -0.160 3.812 3.960 0.020 0.000 0.686 100 G C -0.005 174.788 174.900 -0.178 0.000 1.286 100 G CA -0.325 44.664 45.100 -0.186 0.000 0.894 100 G HN 0.208 nan 8.290 nan 0.000 0.575 101 L N 0.670 121.802 121.223 -0.151 0.000 2.529 101 L HA 0.137 4.489 4.340 0.020 0.000 0.223 101 L C 1.576 178.408 176.870 -0.063 0.000 1.113 101 L CA 0.079 54.896 54.840 -0.039 0.000 0.861 101 L CB -0.257 41.871 42.059 0.115 0.000 1.012 101 L HN 0.513 nan 8.230 nan 0.000 0.461 102 Q N 0.124 119.693 119.800 -0.385 0.000 2.584 102 Q HA -0.022 4.330 4.340 0.020 0.000 0.218 102 Q C 1.531 177.371 176.000 -0.266 0.000 1.079 102 Q CA 0.775 56.231 55.803 -0.577 0.000 1.008 102 Q CB 0.310 28.266 28.738 -1.302 0.000 1.267 102 Q HN 0.201 nan 8.270 nan 0.000 0.586 103 T N -2.765 111.761 114.554 -0.046 0.000 3.035 103 T HA 0.039 4.402 4.350 0.020 0.000 0.268 103 T C 0.694 175.519 174.700 0.209 0.000 1.109 103 T CA 0.454 62.651 62.100 0.162 0.000 1.119 103 T CB -0.306 68.754 68.868 0.320 0.000 0.900 103 T HN 0.431 nan 8.240 nan 0.000 0.503 104 F N -0.412 119.556 119.950 0.029 0.000 2.575 104 F HA 0.730 5.269 4.527 0.021 0.000 0.330 104 F C -0.405 175.356 175.800 -0.065 0.000 1.056 104 F CA -1.935 56.082 58.000 0.028 0.000 0.964 104 F CB 0.839 39.862 39.000 0.040 0.000 1.258 104 F HN -0.268 nan 8.300 nan 0.000 0.484 105 D N 2.105 122.528 120.400 0.037 0.000 2.317 105 D HA 0.188 4.840 4.640 0.020 0.000 0.252 105 D C 0.456 176.800 176.300 0.073 0.000 1.174 105 D CA 0.050 53.992 54.000 -0.096 0.000 0.866 105 D CB 1.282 41.960 40.800 -0.203 0.000 1.127 105 D HN 0.681 nan 8.370 nan 0.000 0.467 106 L N 3.475 124.645 121.223 -0.087 0.000 2.645 106 L HA 0.147 4.499 4.340 0.020 0.000 0.234 106 L C 1.389 178.264 176.870 0.009 0.000 1.165 106 L CA 0.006 54.836 54.840 -0.017 0.000 0.944 106 L CB -0.041 41.947 42.059 -0.118 0.000 1.149 106 L HN 0.091 nan 8.230 nan 0.000 0.446 107 R N -0.973 119.511 120.500 -0.027 0.000 2.649 107 R HA 0.225 4.577 4.340 0.020 0.000 0.270 107 R C 0.805 177.084 176.300 -0.035 0.000 1.105 107 R CA 0.195 56.232 56.100 -0.106 0.000 1.193 107 R CB 1.046 31.208 30.300 -0.230 0.000 1.120 107 R HN -0.083 nan 8.270 nan 0.000 0.561 108 T N -1.308 113.219 114.554 -0.045 0.000 3.321 108 T HA -0.005 4.358 4.350 0.020 0.000 0.251 108 T C 1.575 176.293 174.700 0.029 0.000 0.999 108 T CA 0.283 62.412 62.100 0.047 0.000 1.186 108 T CB -0.038 68.853 68.868 0.038 0.000 1.163 108 T HN 0.515 nan 8.240 nan 0.000 0.399 109 T N 2.950 117.511 114.554 0.010 0.000 2.652 109 T HA -0.072 4.290 4.350 0.020 0.000 0.267 109 T C 1.922 176.656 174.700 0.056 0.000 1.039 109 T CA 1.161 63.291 62.100 0.050 0.000 1.153 109 T CB -0.430 68.491 68.868 0.088 0.000 0.863 109 T HN 0.076 nan 8.240 nan 0.000 0.428 110 I N 1.078 121.642 120.570 -0.009 0.000 2.194 110 I HA -0.224 3.959 4.170 0.020 0.000 0.246 110 I C 2.122 178.290 176.117 0.086 0.000 1.093 110 I CA 1.511 62.811 61.300 0.001 0.000 1.355 110 I CB -0.531 37.410 38.000 -0.097 0.000 1.046 110 I HN 0.431 nan 8.210 nan 0.000 0.413 111 H N -1.631 117.516 119.070 0.129 0.000 2.353 111 H HA -0.127 4.441 4.556 0.021 0.000 0.300 111 H C 2.323 177.726 175.328 0.124 0.000 1.090 111 H CA 1.446 57.586 56.048 0.154 0.000 1.327 111 H CB -0.141 29.711 29.762 0.150 0.000 1.383 111 H HN 0.201 nan 8.280 nan 0.000 0.508 112 V N 0.309 120.350 119.914 0.211 0.000 2.287 112 V HA -0.258 3.874 4.120 0.020 0.000 0.248 112 V C 2.399 178.573 176.094 0.133 0.000 1.053 112 V CA 1.567 63.945 62.300 0.129 0.000 1.027 112 V CB -0.409 31.445 31.823 0.052 0.000 0.646 112 V HN 0.263 nan 8.190 nan 0.000 0.447 113 V N -0.162 119.836 119.914 0.141 0.000 2.287 113 V HA -0.304 3.828 4.120 0.020 0.000 0.248 113 V C 2.572 178.751 176.094 0.142 0.000 1.053 113 V CA 2.706 65.088 62.300 0.137 0.000 1.027 113 V CB -1.143 30.757 31.823 0.128 0.000 0.646 113 V HN 0.632 nan 8.190 nan 0.000 0.447 114 T N 0.392 115.045 114.554 0.165 0.000 2.699 114 T HA -0.187 4.175 4.350 0.020 0.000 0.268 114 T C 1.883 176.666 174.700 0.139 0.000 1.036 114 T CA 1.690 63.887 62.100 0.162 0.000 1.147 114 T CB -0.750 68.241 68.868 0.204 0.000 0.862 114 T HN 0.646 nan 8.240 nan 0.000 0.446 115 G N 1.047 109.936 108.800 0.147 0.000 2.418 115 G HA2 -0.124 3.848 3.960 0.020 0.000 0.217 115 G HA3 -0.124 3.848 3.960 0.020 0.000 0.217 115 G C 1.528 176.481 174.900 0.087 0.000 1.158 115 G CA 0.475 45.644 45.100 0.116 0.000 0.771 115 G HN 0.507 nan 8.290 nan 0.000 0.545 116 I N 0.249 120.876 120.570 0.094 0.000 2.353 116 I HA -0.085 4.097 4.170 0.020 0.000 0.248 116 I C 2.614 178.790 176.117 0.099 0.000 1.119 116 I CA 1.085 62.438 61.300 0.088 0.000 1.417 116 I CB -0.167 37.892 38.000 0.100 0.000 1.078 116 I HN 0.293 nan 8.210 nan 0.000 0.421 117 E N 1.532 121.802 120.200 0.118 0.000 2.031 117 E HA -0.270 4.092 4.350 0.020 0.000 0.193 117 E C 2.315 178.967 176.600 0.087 0.000 0.994 117 E CA 1.533 58.017 56.400 0.139 0.000 0.800 117 E CB -0.038 29.750 29.700 0.147 0.000 0.752 117 E HN 0.458 nan 8.360 nan 0.000 0.447 118 A N 1.330 124.187 122.820 0.061 0.000 1.865 118 A HA -0.187 4.145 4.320 0.020 0.000 0.217 118 A C 2.429 180.011 177.584 -0.003 0.000 1.191 118 A CA 2.316 54.364 52.037 0.019 0.000 0.623 118 A CB -0.971 18.040 19.000 0.018 0.000 0.826 118 A HN 0.444 nan 8.150 nan 0.000 0.444 119 A N -1.378 121.450 122.820 0.014 0.000 1.933 119 A HA -0.095 4.237 4.320 0.020 0.000 0.218 119 A C 2.173 179.753 177.584 -0.008 0.000 1.175 119 A CA 1.986 54.024 52.037 0.001 0.000 0.628 119 A CB -0.447 18.561 19.000 0.014 0.000 0.814 119 A HN 0.431 nan 8.150 nan 0.000 0.444 120 M N -0.514 119.092 119.600 0.010 0.000 2.132 120 M HA 0.009 4.501 4.480 0.020 0.000 0.263 120 M C 2.132 178.359 176.300 -0.121 0.000 1.065 120 M CA 1.193 56.487 55.300 -0.010 0.000 1.122 120 M CB -1.341 31.309 32.600 0.084 0.000 1.365 120 M HN 0.389 nan 8.290 nan 0.000 0.411 121 L N -0.298 120.845 121.223 -0.134 0.000 2.093 121 L HA -0.224 4.128 4.340 0.020 0.000 0.208 121 L C 2.220 178.995 176.870 -0.159 0.000 1.085 121 L CA 1.034 55.747 54.840 -0.210 0.000 0.755 121 L CB -0.654 41.326 42.059 -0.131 0.000 0.904 121 L HN 0.257 nan 8.230 nan 0.000 0.435 122 D N 0.373 120.706 120.400 -0.111 0.000 2.097 122 D HA -0.174 4.479 4.640 0.020 0.000 0.195 122 D C 2.300 178.554 176.300 -0.076 0.000 0.989 122 D CA 1.342 55.280 54.000 -0.103 0.000 0.827 122 D CB 0.017 40.771 40.800 -0.077 0.000 0.966 122 D HN 0.192 nan 8.370 nan 0.000 0.456 123 L N -0.177 121.018 121.223 -0.047 0.000 2.027 123 L HA -0.147 4.205 4.340 0.020 0.000 0.206 123 L C 2.548 179.432 176.870 0.024 0.000 1.074 123 L CA 0.542 55.388 54.840 0.009 0.000 0.745 123 L CB -0.444 41.626 42.059 0.019 0.000 0.898 123 L HN 0.156 nan 8.230 nan 0.000 0.433 124 L N 0.291 121.480 121.223 -0.057 0.000 2.042 124 L HA -0.110 4.242 4.340 0.020 0.000 0.210 124 L C 2.339 179.204 176.870 -0.007 0.000 1.076 124 L CA 2.195 57.006 54.840 -0.049 0.000 0.749 124 L CB -1.082 40.833 42.059 -0.241 0.000 0.893 124 L HN 0.152 nan 8.230 nan 0.000 0.432 125 G N -1.667 107.091 108.800 -0.069 0.000 2.418 125 G HA2 -0.258 3.714 3.960 0.020 0.000 0.217 125 G HA3 -0.258 3.714 3.960 0.020 0.000 0.217 125 G C 1.457 176.328 174.900 -0.048 0.000 1.158 125 G CA 0.708 45.765 45.100 -0.071 0.000 0.771 125 G HN 0.539 nan 8.290 nan 0.000 0.545 126 Q N -0.714 119.058 119.800 -0.047 0.000 2.084 126 Q HA -0.161 4.191 4.340 0.020 0.000 0.202 126 Q C 2.300 178.324 176.000 0.041 0.000 0.978 126 Q CA 1.568 57.320 55.803 -0.086 0.000 0.844 126 Q CB -0.237 28.363 28.738 -0.229 0.000 0.898 126 Q HN 0.726 nan 8.270 nan 0.000 0.426 127 H N 0.524 119.636 119.070 0.070 0.000 2.357 127 H HA -0.028 4.540 4.556 0.020 0.000 0.301 127 H C 1.553 176.915 175.328 0.056 0.000 1.082 127 H CA 1.340 57.456 56.048 0.113 0.000 1.342 127 H CB -0.072 29.737 29.762 0.079 0.000 1.389 127 H HN 0.109 nan 8.280 nan 0.000 0.511 128 L N -0.506 120.654 121.223 -0.104 0.000 2.599 128 L HA 0.155 4.507 4.340 0.020 0.000 0.230 128 L C 1.607 178.412 176.870 -0.109 0.000 1.141 128 L CA 0.508 55.254 54.840 -0.158 0.000 0.877 128 L CB -0.139 41.888 42.059 -0.053 0.000 1.009 128 L HN 0.649 nan 8.230 nan 0.000 0.447 129 G N 1.011 109.761 108.800 -0.084 0.000 2.179 129 G HA2 -0.256 3.717 3.960 0.020 0.000 0.257 129 G HA3 -0.256 3.717 3.960 0.020 0.000 0.257 129 G C 0.213 175.085 174.900 -0.047 0.000 1.010 129 G CA 0.427 45.491 45.100 -0.061 0.000 0.736 129 G HN 0.313 nan 8.290 nan 0.000 0.513 130 V N -2.483 117.402 119.914 -0.047 0.000 2.919 130 V HA 0.787 4.920 4.120 0.020 0.000 0.316 130 V C 0.422 176.491 176.094 -0.041 0.000 1.077 130 V CA -1.056 61.222 62.300 -0.036 0.000 0.977 130 V CB 1.674 33.479 31.823 -0.029 0.000 1.039 130 V HN 0.631 nan 8.190 nan 0.000 0.441 131 N N 0.864 119.555 118.700 -0.016 0.000 2.444 131 N HA 0.216 4.969 4.740 0.020 0.000 0.255 131 N C 0.748 176.215 175.510 -0.072 0.000 1.255 131 N CA -0.463 52.581 53.050 -0.010 0.000 0.933 131 N CB 1.684 40.246 38.487 0.125 0.000 1.143 131 N HN 0.439 nan 8.380 nan 0.000 0.453 132 V N 1.434 121.180 119.914 -0.280 0.000 2.392 132 V HA -0.300 3.832 4.120 0.020 0.000 0.249 132 V C 2.629 178.705 176.094 -0.030 0.000 1.059 132 V CA 2.356 64.509 62.300 -0.244 0.000 1.051 132 V CB -1.327 30.248 31.823 -0.413 0.000 0.658 132 V HN 0.930 nan 8.190 nan 0.000 0.455 133 A N -0.380 122.550 122.820 0.184 0.000 1.986 133 A HA -0.249 4.084 4.320 0.020 0.000 0.220 133 A C 2.424 180.037 177.584 0.048 0.000 1.171 133 A CA 2.345 54.472 52.037 0.151 0.000 0.640 133 A CB -0.637 18.466 19.000 0.172 0.000 0.811 133 A HN 0.543 nan 8.150 nan 0.000 0.451 134 S N -0.552 115.168 115.700 0.034 0.000 2.453 134 S HA 0.059 4.541 4.470 0.020 0.000 0.231 134 S C 1.420 176.018 174.600 -0.002 0.000 1.005 134 S CA 0.904 59.107 58.200 0.006 0.000 0.949 134 S CB -0.239 62.961 63.200 0.000 0.000 0.774 134 S HN 0.537 nan 8.310 nan 0.000 0.510 135 L N 0.686 121.905 121.223 -0.008 0.000 2.592 135 L HA 0.281 4.633 4.340 0.020 0.000 0.227 135 L C 0.007 176.889 176.870 0.020 0.000 1.127 135 L CA 0.226 55.063 54.840 -0.005 0.000 0.884 135 L CB -0.100 41.932 42.059 -0.045 0.000 1.065 135 L HN 0.172 nan 8.230 nan 0.000 0.457 136 L N -1.354 119.876 121.223 0.012 0.000 2.334 136 L HA 0.569 4.921 4.340 0.020 0.000 0.272 136 L C 1.395 178.258 176.870 -0.011 0.000 1.020 136 L CA -0.344 54.504 54.840 0.012 0.000 0.812 136 L CB 1.319 43.380 42.059 0.004 0.000 1.264 136 L HN 0.133 nan 8.230 nan 0.000 0.439 137 G N 1.294 110.085 108.800 -0.014 0.000 2.702 137 G HA2 -0.350 3.623 3.960 0.020 0.000 0.342 137 G HA3 -0.350 3.623 3.960 0.020 0.000 0.342 137 G C 0.411 175.292 174.900 -0.031 0.000 1.258 137 G CA 0.750 45.829 45.100 -0.036 0.000 0.990 137 G HN 0.760 nan 8.290 nan 0.000 0.548 138 D N 3.077 123.449 120.400 -0.048 0.000 2.395 138 D HA 0.449 5.101 4.640 0.020 0.000 0.226 138 D C 1.305 177.584 176.300 -0.036 0.000 1.146 138 D CA 1.559 55.537 54.000 -0.037 0.000 0.830 138 D CB -0.141 40.635 40.800 -0.040 0.000 0.958 138 D HN 1.412 nan 8.370 nan 0.000 0.501 139 G N 1.286 110.066 108.800 -0.034 0.000 2.685 139 G HA2 -0.238 3.735 3.960 0.020 0.000 0.387 139 G HA3 -0.238 3.735 3.960 0.020 0.000 0.387 139 G C -0.334 174.543 174.900 -0.040 0.000 1.324 139 G CA -0.861 44.222 45.100 -0.027 0.000 0.878 139 G HN 0.267 nan 8.290 nan 0.000 0.527 140 Q N -0.047 119.737 119.800 -0.027 0.000 2.300 140 Q HA 0.265 4.617 4.340 0.020 0.000 0.280 140 Q C 1.147 177.115 176.000 -0.052 0.000 1.033 140 Q CA 0.508 56.292 55.803 -0.032 0.000 0.903 140 Q CB 0.333 29.062 28.738 -0.015 0.000 1.195 140 Q HN 0.534 nan 8.270 nan 0.000 0.386 141 Q N 3.110 122.868 119.800 -0.070 0.000 2.353 141 Q HA 0.143 4.495 4.340 0.020 0.000 0.240 141 Q C -0.076 175.881 176.000 -0.071 0.000 0.868 141 Q CA 0.588 56.340 55.803 -0.085 0.000 0.944 141 Q CB 0.969 29.630 28.738 -0.129 0.000 1.104 141 Q HN 0.667 nan 8.270 nan 0.000 0.531 142 R N -0.681 119.782 120.500 -0.061 0.000 2.799 142 R HA 0.518 4.870 4.340 0.020 0.000 0.270 142 R C 0.314 176.583 176.300 -0.051 0.000 1.010 142 R CA -0.163 55.907 56.100 -0.049 0.000 0.916 142 R CB 0.558 30.834 30.300 -0.040 0.000 1.228 142 R HN -0.099 nan 8.270 nan 0.000 0.469 143 S N -1.572 114.099 115.700 -0.049 0.000 2.523 143 S HA 0.073 4.555 4.470 0.020 0.000 0.217 143 S C -0.006 174.550 174.600 -0.074 0.000 0.996 143 S CA -0.179 57.984 58.200 -0.062 0.000 0.921 143 S CB -0.164 63.004 63.200 -0.055 0.000 0.829 143 S HN 0.686 nan 8.310 nan 0.000 0.495 144 E N -0.143 120.026 120.200 -0.053 0.000 2.390 144 E HA 0.647 5.009 4.350 0.020 0.000 0.277 144 E C -1.860 174.735 176.600 -0.009 0.000 0.939 144 E CA -1.130 55.244 56.400 -0.044 0.000 0.769 144 E CB 1.932 31.609 29.700 -0.037 0.000 1.251 144 E HN -0.016 nan 8.360 nan 0.000 0.450 145 V N 1.300 121.224 119.914 0.016 0.000 2.588 145 V HA 0.300 4.432 4.120 0.020 0.000 0.304 145 V C -0.434 175.710 176.094 0.084 0.000 1.042 145 V CA -0.763 61.577 62.300 0.066 0.000 0.877 145 V CB 1.569 33.458 31.823 0.110 0.000 0.996 145 V HN 0.770 nan 8.190 nan 0.000 0.425 146 E N 4.593 124.843 120.200 0.084 0.000 2.259 146 E HA 0.439 4.801 4.350 0.020 0.000 0.281 146 E C -0.751 175.916 176.600 0.112 0.000 1.027 146 E CA -0.513 55.937 56.400 0.084 0.000 0.838 146 E CB 0.751 30.486 29.700 0.059 0.000 1.066 146 E HN 0.476 nan 8.360 nan 0.000 0.401 147 M N 3.760 123.451 119.600 0.151 0.000 2.644 147 M HA 0.348 4.840 4.480 0.020 0.000 0.316 147 M C -0.564 175.816 176.300 0.134 0.000 1.200 147 M CA -1.120 54.288 55.300 0.180 0.000 0.944 147 M CB 1.043 33.832 32.600 0.315 0.000 1.691 147 M HN 0.406 nan 8.290 nan 0.000 0.471 148 L N -0.382 120.792 121.223 -0.082 0.000 2.334 148 L HA 0.955 5.307 4.340 0.020 0.000 0.270 148 L C 0.357 176.613 176.870 -1.024 0.000 1.018 148 L CA -0.621 53.975 54.840 -0.407 0.000 0.811 148 L CB 0.395 42.253 42.059 -0.336 0.000 1.271 148 L HN 0.708 nan 8.230 nan 0.000 0.443 149 G N 0.163 107.959 108.800 -1.674 0.000 2.356 149 G HA2 0.294 4.266 3.960 0.020 0.000 0.300 149 G HA3 0.294 4.266 3.960 0.020 0.000 0.300 149 G C -1.143 173.425 174.900 -0.553 0.000 1.107 149 G CA -0.155 43.825 45.100 -1.867 0.000 0.960 149 G HN 0.566 nan 8.290 nan 0.000 0.418 150 Y N 4.818 124.856 120.300 -0.436 0.000 2.627 150 Y HA 0.358 4.920 4.550 0.021 0.000 0.347 150 Y C 0.366 176.363 175.900 0.161 0.000 1.099 150 Y CA -1.412 56.612 58.100 -0.127 0.000 1.408 150 Y CB -0.087 38.341 38.460 -0.053 0.000 1.247 150 Y HN 0.296 nan 8.280 nan 0.000 0.506 151 L N 5.333 126.774 121.223 0.363 0.000 2.375 151 L HA 0.432 4.784 4.340 0.020 0.000 0.271 151 L C -0.636 176.323 176.870 0.150 0.000 1.107 151 L CA -0.368 54.690 54.840 0.362 0.000 0.806 151 L CB 0.841 42.956 42.059 0.093 0.000 1.146 151 L HN 0.329 nan 8.230 nan 0.000 0.447 152 F N 0.064 120.130 119.950 0.194 0.000 2.620 152 F HA 0.478 5.018 4.527 0.021 0.000 0.320 152 F C -0.249 175.479 175.800 -0.120 0.000 1.069 152 F CA -0.511 57.441 58.000 -0.080 0.000 0.953 152 F CB 1.749 40.516 39.000 -0.389 0.000 1.322 152 F HN 0.084 nan 8.300 nan 0.000 0.479 153 F N 1.716 121.770 119.950 0.173 0.000 2.412 153 F HA 0.473 5.011 4.527 0.020 0.000 0.348 153 F C 0.000 175.815 175.800 0.024 0.000 1.102 153 F CA -0.597 57.459 58.000 0.093 0.000 1.196 153 F CB 0.878 39.913 39.000 0.058 0.000 1.144 153 F HN -0.101 nan 8.300 nan 0.000 0.541 154 V N 3.785 123.803 119.914 0.172 0.000 2.370 154 V HA 0.528 4.660 4.120 0.020 0.000 0.283 154 V C 0.612 176.681 176.094 -0.041 0.000 1.023 154 V CA -0.941 61.347 62.300 -0.020 0.000 0.857 154 V CB 0.973 32.781 31.823 -0.024 0.000 0.985 154 V HN 0.908 nan 8.190 nan 0.000 0.443 155 G N 2.628 111.348 108.800 -0.133 0.000 2.634 155 G HA2 0.152 4.124 3.960 0.020 0.000 0.255 155 G HA3 0.152 4.124 3.960 0.020 0.000 0.255 155 G C 0.018 174.818 174.900 -0.167 0.000 1.205 155 G CA -0.405 44.613 45.100 -0.137 0.000 0.884 155 G HN 0.708 nan 8.290 nan 0.000 0.549 156 N N -0.399 118.223 118.700 -0.130 0.000 2.415 156 N HA 0.031 4.783 4.740 0.020 0.000 0.246 156 N C 1.828 177.236 175.510 -0.170 0.000 1.078 156 N CA -0.545 52.432 53.050 -0.122 0.000 0.942 156 N CB 0.712 39.158 38.487 -0.067 0.000 1.140 156 N HN 0.581 nan 8.380 nan 0.000 0.501 157 R N 2.963 123.323 120.500 -0.233 0.000 2.193 157 R HA -0.070 4.282 4.340 0.020 0.000 0.229 157 R C 0.716 176.967 176.300 -0.082 0.000 1.110 157 R CA 1.135 57.084 56.100 -0.251 0.000 0.988 157 R CB -0.120 30.016 30.300 -0.274 0.000 0.871 157 R HN 0.384 nan 8.270 nan 0.000 0.458 158 K N 0.655 121.013 120.400 -0.070 0.000 2.439 158 K HA 0.080 4.413 4.320 0.020 0.000 0.197 158 K C 1.666 178.241 176.600 -0.041 0.000 1.041 158 K CA 0.822 57.082 56.287 -0.045 0.000 0.970 158 K CB 0.238 32.716 32.500 -0.036 0.000 0.773 158 K HN 0.301 nan 8.250 nan 0.000 0.479 159 A N 1.261 124.055 122.820 -0.044 0.000 2.238 159 A HA -0.003 4.329 4.320 0.020 0.000 0.208 159 A C 0.967 178.537 177.584 -0.024 0.000 1.177 159 A CA 0.587 52.611 52.037 -0.022 0.000 0.804 159 A CB -0.263 18.729 19.000 -0.014 0.000 0.823 159 A HN 0.324 nan 8.150 nan 0.000 0.482 160 T N -5.171 109.341 114.554 -0.070 0.000 2.910 160 T HA 0.607 4.969 4.350 0.020 0.000 0.287 160 T C -2.585 171.959 174.700 -0.260 0.000 1.050 160 T CA -1.405 60.569 62.100 -0.209 0.000 1.011 160 T CB 2.018 70.781 68.868 -0.174 0.000 1.195 160 T HN -0.069 nan 8.240 nan 0.000 0.540 161 P HA 0.330 nan 4.420 nan 0.000 0.259 161 P C 0.399 177.535 177.300 -0.273 0.000 1.233 161 P CA -0.236 62.667 63.100 -0.329 0.000 0.827 161 P CB 0.038 31.519 31.700 -0.365 0.000 1.154 162 L N 2.408 123.429 121.223 -0.336 0.000 2.529 162 L HA 0.058 4.410 4.340 0.020 0.000 0.287 162 L C -1.465 175.260 176.870 -0.242 0.000 1.241 162 L CA -1.197 53.464 54.840 -0.298 0.000 0.857 162 L CB -0.519 41.305 42.059 -0.392 0.000 1.113 162 L HN -0.093 nan 8.230 nan 0.000 0.504 163 P HA 0.125 nan 4.420 nan 0.000 0.212 163 P C -0.857 176.233 177.300 -0.349 0.000 1.816 163 P CA -0.238 62.719 63.100 -0.239 0.000 0.944 163 P CB -0.322 31.290 31.700 -0.146 0.000 1.896 164 Y N 1.114 121.279 120.300 -0.225 0.000 2.511 164 Y HA -0.001 4.562 4.550 0.020 0.000 0.332 164 Y C 1.891 177.676 175.900 -0.192 0.000 1.177 164 Y CA -0.112 57.860 58.100 -0.213 0.000 1.422 164 Y CB 0.665 39.032 38.460 -0.154 0.000 1.271 164 Y HN 0.301 nan 8.280 nan 0.000 0.550 165 Q N 1.733 121.500 119.800 -0.055 0.000 2.396 165 Q HA 0.591 4.944 4.340 0.020 0.000 0.221 165 Q C -0.745 175.012 176.000 -0.406 0.000 1.025 165 Q CA -0.621 55.050 55.803 -0.220 0.000 0.946 165 Q CB 1.304 29.871 28.738 -0.286 0.000 1.224 165 Q HN 0.636 nan 8.270 nan 0.000 0.539 166 S N -0.329 115.050 115.700 -0.534 0.000 2.565 166 S HA 0.324 4.806 4.470 0.020 0.000 0.269 166 S C -0.912 173.417 174.600 -0.452 0.000 1.153 166 S CA -1.011 56.821 58.200 -0.614 0.000 0.835 166 S CB 1.678 64.744 63.200 -0.223 0.000 1.122 166 S HN 0.723 nan 8.310 nan 0.000 0.462 167 Q N 0.638 120.301 119.800 -0.229 0.000 2.563 167 Q HA 0.282 4.634 4.340 0.020 0.000 0.367 167 Q C -2.153 173.857 176.000 0.015 0.000 0.845 167 Q CA -1.790 53.977 55.803 -0.061 0.000 1.077 167 Q CB 1.104 29.863 28.738 0.034 0.000 1.409 167 Q HN 0.547 nan 8.270 nan 0.000 0.396 168 P HA -0.207 nan 4.420 nan 0.000 0.218 168 P C 0.092 177.399 177.300 0.012 0.000 1.146 168 P CA 1.519 64.621 63.100 0.003 0.000 0.820 168 P CB 0.330 32.021 31.700 -0.015 0.000 0.778 169 D N -1.575 118.831 120.400 0.010 0.000 2.431 169 D HA 0.063 4.716 4.640 0.020 0.000 0.213 169 D C 0.088 176.406 176.300 0.030 0.000 1.130 169 D CA -0.271 53.738 54.000 0.016 0.000 0.834 169 D CB -0.081 40.724 40.800 0.008 0.000 0.985 169 D HN 0.176 nan 8.370 nan 0.000 0.504 170 D N 0.951 121.379 120.400 0.047 0.000 2.515 170 D HA -0.085 4.568 4.640 0.020 0.000 0.232 170 D C 1.664 178.005 176.300 0.068 0.000 1.157 170 D CA 0.371 54.416 54.000 0.075 0.000 0.871 170 D CB 1.012 41.894 40.800 0.137 0.000 1.200 170 D HN -0.064 nan 8.370 nan 0.000 0.466 171 S N 1.789 117.531 115.700 0.069 0.000 2.423 171 S HA -0.147 4.335 4.470 0.020 0.000 0.231 171 S C 1.299 175.922 174.600 0.038 0.000 1.014 171 S CA -0.116 58.112 58.200 0.047 0.000 0.965 171 S CB -0.203 63.020 63.200 0.039 0.000 0.785 171 S HN 0.560 nan 8.310 nan 0.000 0.495 172 C N 3.091 122.427 119.300 0.061 0.000 2.464 172 C HA 0.370 4.842 4.460 0.020 0.000 0.370 172 C C 1.378 176.367 174.990 -0.003 0.000 1.267 172 C CA -0.717 58.285 59.018 -0.027 0.000 1.781 172 C CB -0.788 26.849 27.740 -0.172 0.000 2.431 172 C HN 0.436 nan 8.230 nan 0.000 0.556 173 D N 2.946 123.345 120.400 -0.002 0.000 2.133 173 D HA -0.160 4.493 4.640 0.020 0.000 0.195 173 D C 1.671 178.008 176.300 0.062 0.000 0.997 173 D CA 1.560 55.583 54.000 0.039 0.000 0.840 173 D CB -0.276 40.559 40.800 0.059 0.000 0.947 173 D HN 0.931 nan 8.370 nan 0.000 0.452 174 W N 0.569 121.787 121.300 -0.137 0.000 2.355 174 W HA -0.278 4.394 4.660 0.020 0.000 0.309 174 W C 1.570 178.081 176.519 -0.013 0.000 1.206 174 W CA 0.856 58.127 57.345 -0.125 0.000 1.284 174 W CB -0.437 28.893 29.460 -0.217 0.000 1.145 174 W HN -0.000 nan 8.180 nan 0.000 0.502 175 Y N 0.916 121.078 120.300 -0.229 0.000 2.224 175 Y HA -0.185 4.377 4.550 0.020 0.000 0.289 175 Y C 2.822 178.580 175.900 -0.238 0.000 1.146 175 Y CA 1.782 59.707 58.100 -0.290 0.000 1.182 175 Y CB -1.443 36.995 38.460 -0.037 0.000 0.983 175 Y HN 0.050 nan 8.280 nan 0.000 0.524 176 R N 0.141 120.657 120.500 0.027 0.000 2.055 176 R HA -0.097 4.255 4.340 0.020 0.000 0.228 176 R C 2.140 178.416 176.300 -0.042 0.000 1.143 176 R CA 1.339 57.462 56.100 0.038 0.000 0.945 176 R CB -0.497 29.825 30.300 0.036 0.000 0.841 176 R HN 0.274 nan 8.270 nan 0.000 0.429 177 L N 1.159 122.308 121.223 -0.123 0.000 2.201 177 L HA -0.096 4.257 4.340 0.020 0.000 0.212 177 L C 2.392 179.104 176.870 -0.264 0.000 1.105 177 L CA 1.093 55.855 54.840 -0.129 0.000 0.775 177 L CB -0.407 41.623 42.059 -0.048 0.000 0.913 177 L HN 0.294 nan 8.230 nan 0.000 0.440 178 R N -0.907 119.209 120.500 -0.641 0.000 2.341 178 R HA -0.129 4.223 4.340 0.020 0.000 0.213 178 R C 1.159 177.180 176.300 -0.465 0.000 1.082 178 R CA 1.138 56.777 56.100 -0.768 0.000 1.017 178 R CB -0.522 28.846 30.300 -1.553 0.000 0.860 178 R HN 0.472 nan 8.270 nan 0.000 0.473 179 H N 0.005 119.004 119.070 -0.118 0.000 2.652 179 H HA 0.289 4.857 4.556 0.021 0.000 0.274 179 H C -0.277 174.997 175.328 -0.091 0.000 1.021 179 H CA -0.207 55.788 56.048 -0.088 0.000 1.187 179 H CB 0.572 30.283 29.762 -0.086 0.000 1.505 179 H HN 0.216 nan 8.280 nan 0.000 0.530 180 E N 1.425 121.627 120.200 0.004 0.000 2.212 180 E HA 0.131 4.493 4.350 0.020 0.000 0.270 180 E C 0.042 176.636 176.600 -0.010 0.000 0.956 180 E CA -0.640 55.758 56.400 -0.004 0.000 0.825 180 E CB 2.109 31.812 29.700 0.006 0.000 1.167 180 E HN 0.270 nan 8.360 nan 0.000 0.400 181 E N 0.848 121.036 120.200 -0.020 0.000 2.568 181 E HA 0.129 4.491 4.350 0.020 0.000 0.262 181 E C -1.145 175.479 176.600 0.040 0.000 0.961 181 E CA 0.146 56.541 56.400 -0.008 0.000 0.945 181 E CB 0.344 30.035 29.700 -0.014 0.000 0.924 181 E HN 0.484 nan 8.360 nan 0.000 0.467 182 A N 6.292 129.161 122.820 0.082 0.000 2.684 182 A HA 0.319 4.651 4.320 0.020 0.000 0.289 182 A C -0.401 177.342 177.584 0.266 0.000 1.139 182 A CA -0.643 51.481 52.037 0.144 0.000 0.793 182 A CB 0.823 19.910 19.000 0.145 0.000 1.334 182 A HN 0.611 nan 8.150 nan 0.000 0.408 183 M N 1.515 121.257 119.600 0.236 0.000 2.410 183 M HA 0.168 4.660 4.480 0.020 0.000 0.376 183 M C 0.327 176.767 176.300 0.233 0.000 1.051 183 M CA 0.431 55.882 55.300 0.252 0.000 0.949 183 M CB -0.083 32.539 32.600 0.036 0.000 1.577 183 M HN 0.819 nan 8.290 nan 0.000 0.560 184 T N -3.424 111.296 114.554 0.277 0.000 2.901 184 T HA 0.568 4.930 4.350 0.020 0.000 0.293 184 T C -2.508 172.327 174.700 0.225 0.000 1.084 184 T CA -1.409 60.822 62.100 0.219 0.000 1.008 184 T CB 2.680 71.617 68.868 0.115 0.000 1.170 184 T HN -0.266 nan 8.240 nan 0.000 0.509 185 P HA -0.048 nan 4.420 nan 0.000 0.215 185 P C 0.844 178.188 177.300 0.075 0.000 1.153 185 P CA 1.137 64.310 63.100 0.121 0.000 0.853 185 P CB -0.038 31.722 31.700 0.099 0.000 0.788 186 D N -0.660 119.781 120.400 0.069 0.000 2.117 186 D HA -0.112 4.540 4.640 0.020 0.000 0.197 186 D C 2.038 178.370 176.300 0.054 0.000 0.987 186 D CA 1.595 55.624 54.000 0.048 0.000 0.829 186 D CB -0.862 39.962 40.800 0.040 0.000 0.961 186 D HN 0.062 nan 8.370 nan 0.000 0.460 187 A N 0.363 123.227 122.820 0.075 0.000 1.930 187 A HA -0.108 4.224 4.320 0.020 0.000 0.217 187 A C 2.476 180.103 177.584 0.072 0.000 1.175 187 A CA 0.999 53.083 52.037 0.079 0.000 0.627 187 A CB -0.655 18.405 19.000 0.099 0.000 0.815 187 A HN 0.140 nan 8.150 nan 0.000 0.443 188 V N -0.213 119.732 119.914 0.051 0.000 2.295 188 V HA -0.239 3.893 4.120 0.020 0.000 0.246 188 V C 2.596 178.688 176.094 -0.003 0.000 1.049 188 V CA 2.056 64.348 62.300 -0.014 0.000 1.024 188 V CB -0.765 30.983 31.823 -0.126 0.000 0.648 188 V HN 0.387 nan 8.190 nan 0.000 0.447 189 V N 0.279 120.198 119.914 0.008 0.000 2.332 189 V HA -0.296 3.836 4.120 0.020 0.000 0.248 189 V C 3.067 179.195 176.094 0.057 0.000 1.055 189 V CA 2.672 64.985 62.300 0.020 0.000 1.038 189 V CB -1.368 30.462 31.823 0.011 0.000 0.651 189 V HN 0.643 nan 8.190 nan 0.000 0.450 190 R N -0.292 120.244 120.500 0.060 0.000 2.091 190 R HA -0.182 4.170 4.340 0.020 0.000 0.238 190 R C 2.143 178.521 176.300 0.130 0.000 1.136 190 R CA 2.121 58.271 56.100 0.084 0.000 0.959 190 R CB -1.296 29.046 30.300 0.070 0.000 0.856 190 R HN 0.411 nan 8.270 nan 0.000 0.437 191 L N 0.406 121.710 121.223 0.135 0.000 2.017 191 L HA 0.012 4.364 4.340 0.020 0.000 0.208 191 L C 2.990 179.992 176.870 0.219 0.000 1.073 191 L CA 2.081 57.056 54.840 0.224 0.000 0.745 191 L CB -1.150 41.040 42.059 0.218 0.000 0.894 191 L HN 0.509 nan 8.230 nan 0.000 0.432 192 A N -1.001 121.860 122.820 0.069 0.000 1.908 192 A HA -0.245 4.087 4.320 0.020 0.000 0.218 192 A C 2.168 179.860 177.584 0.180 0.000 1.181 192 A CA 1.814 53.795 52.037 -0.094 0.000 0.627 192 A CB -0.548 18.116 19.000 -0.560 0.000 0.818 192 A HN 0.555 nan 8.150 nan 0.000 0.445 193 E N -0.354 120.012 120.200 0.277 0.000 2.058 193 E HA -0.147 4.215 4.350 0.020 0.000 0.194 193 E C 2.312 179.111 176.600 0.333 0.000 0.997 193 E CA 1.082 57.701 56.400 0.365 0.000 0.801 193 E CB -0.300 29.520 29.700 0.200 0.000 0.746 193 E HN 0.634 nan 8.360 nan 0.000 0.450 194 A N 1.286 124.264 122.820 0.263 0.000 1.930 194 A HA -0.043 4.289 4.320 0.020 0.000 0.217 194 A C 2.350 180.054 177.584 0.200 0.000 1.175 194 A CA 1.514 53.697 52.037 0.243 0.000 0.627 194 A CB -0.501 18.675 19.000 0.294 0.000 0.815 194 A HN 0.287 nan 8.150 nan 0.000 0.443 195 A N -1.305 121.628 122.820 0.188 0.000 1.898 195 A HA -0.067 4.265 4.320 0.020 0.000 0.216 195 A C 2.125 179.811 177.584 0.171 0.000 1.181 195 A CA 1.601 53.610 52.037 -0.046 0.000 0.620 195 A CB -0.854 18.065 19.000 -0.134 0.000 0.819 195 A HN 0.722 nan 8.150 nan 0.000 0.442 196 Y N 0.915 121.367 120.300 0.254 0.000 2.097 196 Y HA -0.270 4.292 4.550 0.020 0.000 0.282 196 Y C 2.369 178.303 175.900 0.057 0.000 1.152 196 Y CA 2.411 60.657 58.100 0.243 0.000 1.136 196 Y CB -0.464 38.247 38.460 0.419 0.000 0.975 196 Y HN 0.546 nan 8.280 nan 0.000 0.498 197 E N 0.182 120.385 120.200 0.005 0.000 2.085 197 E HA -0.335 4.028 4.350 0.020 0.000 0.194 197 E C 2.146 178.542 176.600 -0.340 0.000 0.994 197 E CA 1.863 58.160 56.400 -0.172 0.000 0.801 197 E CB -0.263 29.444 29.700 0.012 0.000 0.743 197 E HN 0.456 nan 8.360 nan 0.000 0.453 198 K N -0.691 119.473 120.400 -0.392 0.000 2.116 198 K HA -0.100 4.232 4.320 0.020 0.000 0.203 198 K C 1.116 177.164 176.600 -0.920 0.000 1.052 198 K CA 1.398 57.271 56.287 -0.689 0.000 0.952 198 K CB -0.065 31.904 32.500 -0.886 0.000 0.729 198 K HN 0.258 nan 8.250 nan 0.000 0.446 199 Y N -1.436 118.550 120.300 -0.524 0.000 2.426 199 Y HA 0.337 4.900 4.550 0.021 0.000 0.249 199 Y C 1.031 176.457 175.900 -0.789 0.000 1.103 199 Y CA -0.172 57.518 58.100 -0.683 0.000 1.256 199 Y CB 1.141 39.012 38.460 -0.982 0.000 1.208 199 Y HN 0.152 nan 8.280 nan 0.000 0.519 200 G N 0.874 109.284 108.800 -0.650 0.000 2.198 200 G HA2 -0.308 3.665 3.960 0.020 0.000 0.257 200 G HA3 -0.308 3.665 3.960 0.020 0.000 0.257 200 G C -0.226 174.494 174.900 -0.301 0.000 1.042 200 G CA -0.364 44.358 45.100 -0.630 0.000 0.791 200 G HN 0.149 nan 8.290 nan 0.000 0.502 201 F N 0.182 120.083 119.950 -0.082 0.000 2.595 201 F HA 0.202 4.741 4.527 0.021 0.000 0.359 201 F C 1.675 177.369 175.800 -0.177 0.000 1.147 201 F CA 0.305 58.156 58.000 -0.248 0.000 1.341 201 F CB 0.442 39.006 39.000 -0.726 0.000 1.104 201 F HN 0.063 nan 8.300 nan 0.000 0.603 202 N N 0.579 119.268 118.700 -0.018 0.000 2.454 202 N HA 0.002 4.754 4.740 0.020 0.000 0.177 202 N C -0.476 174.920 175.510 -0.189 0.000 1.049 202 N CA 0.478 53.520 53.050 -0.013 0.000 0.887 202 N CB 0.256 38.767 38.487 0.039 0.000 1.095 202 N HN 0.518 nan 8.380 nan 0.000 0.446 203 D N -0.189 119.991 120.400 -0.365 0.000 2.340 203 D HA 0.458 5.111 4.640 0.020 0.000 0.240 203 D C -0.675 175.134 176.300 -0.818 0.000 1.001 203 D CA -0.209 53.561 54.000 -0.384 0.000 0.888 203 D CB 1.626 42.332 40.800 -0.156 0.000 1.310 203 D HN -0.152 nan 8.370 nan 0.000 0.474 204 F N -0.005 119.800 119.950 -0.242 0.000 2.613 204 F HA 0.428 4.967 4.527 0.020 0.000 0.314 204 F C 0.187 175.804 175.800 -0.305 0.000 1.075 204 F CA -0.994 56.809 58.000 -0.328 0.000 0.945 204 F CB 2.346 41.144 39.000 -0.336 0.000 1.310 204 F HN -0.045 nan 8.300 nan 0.000 0.467 205 K N 1.597 121.924 120.400 -0.122 0.000 2.422 205 K HA 0.745 5.077 4.320 0.020 0.000 0.251 205 K C -2.205 174.292 176.600 -0.171 0.000 0.933 205 K CA -0.832 55.307 56.287 -0.246 0.000 0.798 205 K CB 2.203 34.395 32.500 -0.512 0.000 1.238 205 K HN 0.595 nan 8.250 nan 0.000 0.428 206 L N 3.676 124.790 121.223 -0.181 0.000 2.325 206 L HA 0.459 4.811 4.340 0.020 0.000 0.281 206 L C -0.999 175.756 176.870 -0.192 0.000 1.004 206 L CA -0.417 54.315 54.840 -0.181 0.000 0.823 206 L CB 1.266 43.216 42.059 -0.183 0.000 1.236 206 L HN 0.594 nan 8.230 nan 0.000 0.415 207 K N 3.606 123.828 120.400 -0.296 0.000 2.383 207 K HA 0.584 4.916 4.320 0.020 0.000 0.286 207 K C 0.231 176.813 176.600 -0.031 0.000 1.051 207 K CA 0.424 56.548 56.287 -0.271 0.000 0.974 207 K CB 0.570 32.585 32.500 -0.810 0.000 0.968 207 K HN 0.815 nan 8.250 nan 0.000 0.475 208 G N 1.716 110.542 108.800 0.043 0.000 2.736 208 G HA2 0.478 4.450 3.960 0.020 0.000 0.229 208 G HA3 0.478 4.450 3.960 0.020 0.000 0.229 208 G C 0.359 175.334 174.900 0.126 0.000 1.380 208 G CA -0.589 44.614 45.100 0.172 0.000 1.040 208 G HN 1.095 nan 8.290 nan 0.000 0.568 209 G N -2.599 106.265 108.800 0.107 0.000 2.143 209 G HA2 -0.171 3.801 3.960 0.020 0.000 0.248 209 G HA3 -0.171 3.801 3.960 0.020 0.000 0.248 209 G C 0.643 175.631 174.900 0.147 0.000 0.991 209 G CA 0.764 45.916 45.100 0.087 0.000 0.689 209 G HN 1.074 nan 8.290 nan 0.000 0.522 210 V N -0.537 119.461 119.914 0.140 0.000 2.840 210 V HA 0.442 4.574 4.120 0.020 0.000 0.234 210 V C 1.656 177.735 176.094 -0.026 0.000 1.159 210 V CA 1.415 63.745 62.300 0.050 0.000 1.194 210 V CB -0.063 31.765 31.823 0.009 0.000 0.971 210 V HN 0.325 nan 8.190 nan 0.000 0.494 211 L N -0.344 120.822 121.223 -0.096 0.000 2.421 211 L HA 0.760 5.112 4.340 0.020 0.000 0.267 211 L C 0.421 177.319 176.870 0.047 0.000 1.036 211 L CA -0.769 54.015 54.840 -0.094 0.000 0.829 211 L CB 0.682 42.593 42.059 -0.247 0.000 1.437 211 L HN 0.183 nan 8.230 nan 0.000 0.488 212 A N 0.007 122.842 122.820 0.025 0.000 2.511 212 A HA 0.301 4.633 4.320 0.020 0.000 0.242 212 A C 1.257 178.886 177.584 0.075 0.000 1.069 212 A CA 0.400 52.465 52.037 0.047 0.000 0.763 212 A CB 0.074 19.067 19.000 -0.012 0.000 1.001 212 A HN 0.934 nan 8.150 nan 0.000 0.498 213 G N 1.332 110.174 108.800 0.071 0.000 2.469 213 G HA2 -0.274 3.699 3.960 0.020 0.000 0.219 213 G HA3 -0.274 3.699 3.960 0.020 0.000 0.219 213 G C 1.206 175.992 174.900 -0.190 0.000 1.150 213 G CA 1.143 46.198 45.100 -0.076 0.000 0.763 213 G HN 0.916 nan 8.290 nan 0.000 0.561 214 E N 1.144 121.213 120.200 -0.218 0.000 2.204 214 E HA -0.142 4.220 4.350 0.020 0.000 0.194 214 E C 2.063 178.619 176.600 -0.073 0.000 0.989 214 E CA 1.466 57.752 56.400 -0.190 0.000 0.824 214 E CB -0.402 29.166 29.700 -0.219 0.000 0.756 214 E HN 0.698 nan 8.360 nan 0.000 0.477 215 E N 1.551 121.737 120.200 -0.022 0.000 2.076 215 E HA -0.138 4.224 4.350 0.020 0.000 0.190 215 E C 1.884 178.554 176.600 0.117 0.000 0.979 215 E CA 0.837 57.252 56.400 0.026 0.000 0.807 215 E CB 0.023 29.721 29.700 -0.004 0.000 0.761 215 E HN 0.318 nan 8.360 nan 0.000 0.454 216 E N 0.356 120.662 120.200 0.177 0.000 2.204 216 E HA -0.176 4.187 4.350 0.020 0.000 0.195 216 E C 2.012 178.776 176.600 0.273 0.000 0.990 216 E CA 0.711 57.313 56.400 0.336 0.000 0.821 216 E CB -0.112 29.852 29.700 0.441 0.000 0.750 216 E HN 0.424 nan 8.360 nan 0.000 0.477 217 A N 1.700 124.641 122.820 0.201 0.000 1.940 217 A HA -0.229 4.103 4.320 0.020 0.000 0.219 217 A C 1.941 179.657 177.584 0.220 0.000 1.176 217 A CA 1.286 53.455 52.037 0.220 0.000 0.631 217 A CB -0.255 18.888 19.000 0.238 0.000 0.814 217 A HN 0.069 nan 8.150 nan 0.000 0.446 218 E N 0.380 120.692 120.200 0.187 0.000 2.085 218 E HA -0.127 4.236 4.350 0.020 0.000 0.194 218 E C 2.294 178.972 176.600 0.130 0.000 0.994 218 E CA 1.403 57.898 56.400 0.158 0.000 0.801 218 E CB -0.711 29.060 29.700 0.119 0.000 0.743 218 E HN 0.558 nan 8.360 nan 0.000 0.453 219 S N 0.741 116.532 115.700 0.152 0.000 2.382 219 S HA -0.096 4.386 4.470 0.020 0.000 0.228 219 S C 1.941 176.570 174.600 0.047 0.000 1.027 219 S CA 0.604 58.864 58.200 0.098 0.000 0.991 219 S CB -0.077 63.179 63.200 0.093 0.000 0.823 219 S HN 0.167 nan 8.310 nan 0.000 0.469 220 I N 1.359 121.970 120.570 0.068 0.000 2.226 220 I HA -0.109 4.073 4.170 0.020 0.000 0.245 220 I C 2.301 178.429 176.117 0.018 0.000 1.100 220 I CA 1.035 62.356 61.300 0.035 0.000 1.374 220 I CB -1.544 36.494 38.000 0.062 0.000 1.057 220 I HN 0.153 nan 8.210 nan 0.000 0.413 221 V N 1.510 121.443 119.914 0.032 0.000 2.233 221 V HA -0.300 3.832 4.120 0.020 0.000 0.247 221 V C 2.878 178.974 176.094 0.004 0.000 1.050 221 V CA 2.058 64.358 62.300 0.001 0.000 1.010 221 V CB -1.275 30.561 31.823 0.022 0.000 0.637 221 V HN 0.467 nan 8.190 nan 0.000 0.444 222 A N -0.313 122.519 122.820 0.020 0.000 1.892 222 A HA -0.218 4.114 4.320 0.020 0.000 0.218 222 A C 2.236 179.818 177.584 -0.002 0.000 1.188 222 A CA 2.179 54.220 52.037 0.006 0.000 0.631 222 A CB -0.666 18.344 19.000 0.017 0.000 0.822 222 A HN 0.514 nan 8.150 nan 0.000 0.447 223 L N -0.976 120.251 121.223 0.007 0.000 2.083 223 L HA -0.193 4.159 4.340 0.020 0.000 0.209 223 L C 3.087 180.011 176.870 0.089 0.000 1.083 223 L CA 1.026 55.889 54.840 0.038 0.000 0.752 223 L CB -0.509 41.526 42.059 -0.040 0.000 0.899 223 L HN 0.453 nan 8.230 nan 0.000 0.433 224 A N -0.684 122.160 122.820 0.040 0.000 1.933 224 A HA -0.238 4.094 4.320 0.020 0.000 0.218 224 A C 2.222 179.821 177.584 0.025 0.000 1.175 224 A CA 1.445 53.510 52.037 0.045 0.000 0.628 224 A CB -0.386 18.616 19.000 0.005 0.000 0.814 224 A HN 0.461 nan 8.150 nan 0.000 0.444 225 Q N -1.288 118.506 119.800 -0.011 0.000 2.079 225 Q HA -0.179 4.173 4.340 0.020 0.000 0.200 225 Q C 2.346 178.285 176.000 -0.103 0.000 0.974 225 Q CA 1.597 57.373 55.803 -0.045 0.000 0.840 225 Q CB -0.121 28.590 28.738 -0.044 0.000 0.898 225 Q HN 0.559 nan 8.270 nan 0.000 0.430 226 R N -0.004 120.409 120.500 -0.144 0.000 2.115 226 R HA -0.059 4.293 4.340 0.020 0.000 0.230 226 R C -0.295 175.606 176.300 -0.665 0.000 1.111 226 R CA 1.119 56.979 56.100 -0.400 0.000 0.976 226 R CB 0.211 30.246 30.300 -0.442 0.000 0.870 226 R HN 0.062 nan 8.270 nan 0.000 0.445 227 F N 0.558 120.454 119.950 -0.090 0.000 2.622 227 F HA 0.389 4.929 4.527 0.021 0.000 0.338 227 F C -1.699 174.092 175.800 -0.015 0.000 1.334 227 F CA -2.449 55.520 58.000 -0.051 0.000 1.179 227 F CB 1.936 40.945 39.000 0.016 0.000 1.471 227 F HN -0.038 nan 8.300 nan 0.000 0.576 228 P HA -0.199 nan 4.420 nan 0.000 0.220 228 P C 0.908 178.253 177.300 0.075 0.000 1.144 228 P CA 1.472 64.603 63.100 0.052 0.000 0.800 228 P CB 0.387 32.091 31.700 0.006 0.000 0.772 229 Q N -1.195 118.670 119.800 0.109 0.000 2.319 229 Q HA 0.314 4.666 4.340 0.020 0.000 0.209 229 Q C 0.857 176.924 176.000 0.112 0.000 0.884 229 Q CA -0.053 55.807 55.803 0.095 0.000 0.938 229 Q CB -0.132 28.655 28.738 0.082 0.000 1.098 229 Q HN 0.149 nan 8.270 nan 0.000 0.517 230 A N 0.974 123.892 122.820 0.164 0.000 2.462 230 A HA 0.306 4.639 4.320 0.020 0.000 0.243 230 A C -0.301 177.336 177.584 0.089 0.000 1.076 230 A CA -0.177 51.947 52.037 0.145 0.000 0.773 230 A CB 0.298 19.454 19.000 0.260 0.000 1.010 230 A HN 0.204 nan 8.150 nan 0.000 0.493 231 R N 0.911 121.440 120.500 0.049 0.000 2.265 231 R HA 0.547 4.899 4.340 0.020 0.000 0.314 231 R C -0.908 175.380 176.300 -0.020 0.000 1.053 231 R CA 0.138 56.257 56.100 0.031 0.000 0.931 231 R CB 0.704 31.044 30.300 0.067 0.000 1.024 231 R HN 0.677 nan 8.270 nan 0.000 0.457 232 I N 0.610 121.130 120.570 -0.082 0.000 2.689 232 I HA 0.371 4.553 4.170 0.020 0.000 0.299 232 I C 0.012 175.916 176.117 -0.354 0.000 1.059 232 I CA -0.636 60.575 61.300 -0.147 0.000 1.055 232 I CB 2.556 40.524 38.000 -0.053 0.000 1.243 232 I HN 0.455 nan 8.210 nan 0.000 0.425 233 T N 4.591 118.902 114.554 -0.405 0.000 2.896 233 T HA 0.688 5.051 4.350 0.020 0.000 0.297 233 T C -1.820 172.737 174.700 -0.239 0.000 1.108 233 T CA -0.442 61.366 62.100 -0.487 0.000 1.004 233 T CB 1.633 69.947 68.868 -0.924 0.000 1.159 233 T HN 0.369 nan 8.240 nan 0.000 0.499 234 L N 3.375 124.513 121.223 -0.141 0.000 2.356 234 L HA 0.749 5.101 4.340 0.020 0.000 0.277 234 L C -1.401 175.408 176.870 -0.101 0.000 0.996 234 L CA -0.391 54.417 54.840 -0.054 0.000 0.822 234 L CB 1.851 43.972 42.059 0.104 0.000 1.256 234 L HN 0.619 nan 8.230 nan 0.000 0.413 235 D N 6.515 126.839 120.400 -0.127 0.000 2.446 235 D HA 0.482 5.134 4.640 0.020 0.000 0.251 235 D C -2.269 173.908 176.300 -0.205 0.000 1.137 235 D CA -1.990 51.913 54.000 -0.161 0.000 0.890 235 D CB 1.869 42.614 40.800 -0.091 0.000 1.071 235 D HN 0.369 nan 8.370 nan 0.000 0.528 236 P HA 0.171 nan 4.420 nan 0.000 0.261 236 P C -0.663 176.433 177.300 -0.340 0.000 1.352 236 P CA -0.140 62.655 63.100 -0.509 0.000 0.891 236 P CB -0.323 30.550 31.700 -1.379 0.000 1.383 237 N N 0.104 118.677 118.700 -0.212 0.000 2.721 237 N HA -0.190 4.562 4.740 0.020 0.000 0.249 237 N C 0.943 176.373 175.510 -0.133 0.000 1.072 237 N CA 0.964 53.954 53.050 -0.101 0.000 0.710 237 N CB -1.818 36.689 38.487 0.033 0.000 0.993 237 N HN 0.361 nan 8.380 nan 0.000 0.547 238 G N -1.867 106.791 108.800 -0.237 0.000 2.155 238 G HA2 -0.288 3.684 3.960 0.020 0.000 0.257 238 G HA3 -0.288 3.684 3.960 0.020 0.000 0.257 238 G C 1.154 175.969 174.900 -0.141 0.000 0.983 238 G CA 0.781 45.772 45.100 -0.181 0.000 0.676 238 G HN 0.938 nan 8.290 nan 0.000 0.528 239 A N -0.632 122.065 122.820 -0.205 0.000 1.933 239 A HA 0.226 4.558 4.320 0.020 0.000 0.218 239 A C 1.295 178.921 177.584 0.069 0.000 1.175 239 A CA 1.266 53.251 52.037 -0.088 0.000 0.628 239 A CB -0.292 18.662 19.000 -0.077 0.000 0.814 239 A HN 0.654 nan 8.150 nan 0.000 0.444 240 W N 1.386 122.684 121.300 -0.004 0.000 2.181 240 W HA 0.392 5.063 4.660 0.019 0.000 0.335 240 W C 1.069 177.590 176.519 0.004 0.000 1.310 240 W CA -0.624 56.723 57.345 0.002 0.000 1.226 240 W CB -0.354 29.112 29.460 0.010 0.000 1.155 240 W HN 0.380 nan 8.180 nan 0.000 0.565 241 S N 1.893 117.739 115.700 0.243 0.000 2.608 241 S HA 0.083 4.565 4.470 0.020 0.000 0.261 241 S C 0.912 175.613 174.600 0.169 0.000 1.314 241 S CA -0.468 57.822 58.200 0.151 0.000 0.992 241 S CB 0.804 64.063 63.200 0.099 0.000 0.935 241 S HN 0.455 nan 8.310 nan 0.000 0.564 242 L N 1.708 123.010 121.223 0.130 0.000 2.017 242 L HA -0.052 4.300 4.340 0.020 0.000 0.208 242 L C 2.034 178.994 176.870 0.150 0.000 1.073 242 L CA 2.056 56.986 54.840 0.152 0.000 0.745 242 L CB -1.374 40.745 42.059 0.100 0.000 0.894 242 L HN 0.861 nan 8.230 nan 0.000 0.432 243 N N -0.600 118.154 118.700 0.091 0.000 2.120 243 N HA -0.232 4.521 4.740 0.020 0.000 0.188 243 N C 1.649 177.191 175.510 0.054 0.000 1.024 243 N CA 1.470 54.556 53.050 0.060 0.000 0.852 243 N CB -0.169 38.336 38.487 0.030 0.000 1.003 243 N HN 0.648 nan 8.380 nan 0.000 0.424 244 E N 1.121 121.352 120.200 0.052 0.000 2.077 244 E HA -0.147 4.216 4.350 0.020 0.000 0.193 244 E C 2.032 178.629 176.600 -0.005 0.000 0.989 244 E CA 1.164 57.554 56.400 -0.018 0.000 0.800 244 E CB -0.244 29.415 29.700 -0.070 0.000 0.746 244 E HN 0.325 nan 8.360 nan 0.000 0.452 245 A N 1.948 124.879 122.820 0.184 0.000 1.902 245 A HA -0.132 4.200 4.320 0.020 0.000 0.217 245 A C 2.315 180.151 177.584 0.420 0.000 1.181 245 A CA 1.401 53.668 52.037 0.383 0.000 0.623 245 A CB -0.726 18.562 19.000 0.480 0.000 0.818 245 A HN 0.271 nan 8.150 nan 0.000 0.443 246 I N -0.513 120.241 120.570 0.307 0.000 2.208 246 I HA -0.301 3.881 4.170 0.020 0.000 0.245 246 I C 2.551 178.709 176.117 0.068 0.000 1.097 246 I CA 1.980 63.364 61.300 0.141 0.000 1.363 246 I CB -0.323 37.709 38.000 0.052 0.000 1.051 246 I HN 0.421 nan 8.210 nan 0.000 0.413 247 K N 1.649 122.071 120.400 0.037 0.000 2.009 247 K HA -0.202 4.130 4.320 0.020 0.000 0.210 247 K C 2.115 178.724 176.600 0.014 0.000 1.049 247 K CA 1.749 58.032 56.287 -0.006 0.000 0.929 247 K CB -0.139 32.325 32.500 -0.059 0.000 0.714 247 K HN 0.227 nan 8.250 nan 0.000 0.440 248 I N 0.519 121.071 120.570 -0.030 0.000 2.179 248 I HA -0.184 3.999 4.170 0.020 0.000 0.242 248 I C 2.519 178.734 176.117 0.162 0.000 1.088 248 I CA 1.379 62.673 61.300 -0.010 0.000 1.357 248 I CB -0.712 37.097 38.000 -0.319 0.000 1.051 248 I HN 0.438 nan 8.210 nan 0.000 0.409 249 G N 0.991 109.919 108.800 0.213 0.000 2.446 249 G HA2 -0.243 3.729 3.960 0.020 0.000 0.217 249 G HA3 -0.243 3.729 3.960 0.020 0.000 0.217 249 G C 1.735 176.696 174.900 0.101 0.000 1.168 249 G CA 0.632 45.872 45.100 0.234 0.000 0.771 249 G HN 0.305 nan 8.290 nan 0.000 0.551 250 K N -0.711 119.728 120.400 0.063 0.000 2.147 250 K HA -0.102 4.230 4.320 0.020 0.000 0.205 250 K C 2.162 178.810 176.600 0.080 0.000 1.049 250 K CA 1.154 57.462 56.287 0.036 0.000 0.936 250 K CB -0.277 32.238 32.500 0.025 0.000 0.722 250 K HN 0.535 nan 8.250 nan 0.000 0.446 251 Y N 1.051 121.344 120.300 -0.012 0.000 2.263 251 Y HA -0.083 4.479 4.550 0.020 0.000 0.292 251 Y C 1.559 177.460 175.900 0.001 0.000 1.130 251 Y CA 1.104 59.196 58.100 -0.013 0.000 1.179 251 Y CB 0.126 38.568 38.460 -0.029 0.000 0.998 251 Y HN -0.091 nan 8.280 nan 0.000 0.532 252 L N 0.514 121.678 121.223 -0.098 0.000 2.592 252 L HA 0.042 4.395 4.340 0.020 0.000 0.227 252 L C 2.034 178.854 176.870 -0.084 0.000 1.127 252 L CA 0.174 54.920 54.840 -0.156 0.000 0.884 252 L CB -0.226 41.847 42.059 0.024 0.000 1.065 252 L HN 0.113 nan 8.230 nan 0.000 0.457 253 K N 1.487 121.853 120.400 -0.056 0.000 2.097 253 K HA -0.234 4.098 4.320 0.020 0.000 0.214 253 K C 1.862 178.440 176.600 -0.037 0.000 1.052 253 K CA 2.070 58.339 56.287 -0.030 0.000 0.932 253 K CB -0.488 31.995 32.500 -0.029 0.000 0.716 253 K HN 0.310 nan 8.250 nan 0.000 0.455 254 G N -1.811 106.947 108.800 -0.069 0.000 2.572 254 G HA2 -0.089 3.883 3.960 0.020 0.000 0.216 254 G HA3 -0.089 3.883 3.960 0.020 0.000 0.216 254 G C 1.151 176.023 174.900 -0.048 0.000 1.133 254 G CA 0.691 45.758 45.100 -0.055 0.000 0.791 254 G HN 0.380 nan 8.290 nan 0.000 0.538 255 S N -0.277 115.386 115.700 -0.063 0.000 2.475 255 S HA 0.292 4.775 4.470 0.020 0.000 0.224 255 S C 0.803 175.385 174.600 -0.030 0.000 1.042 255 S CA -0.336 57.837 58.200 -0.044 0.000 0.935 255 S CB 0.225 63.389 63.200 -0.060 0.000 0.801 255 S HN 0.146 nan 8.310 nan 0.000 0.509 256 L N 1.611 122.817 121.223 -0.028 0.000 2.326 256 L HA 0.414 4.766 4.340 0.020 0.000 0.278 256 L C 1.295 178.144 176.870 -0.034 0.000 1.092 256 L CA -0.523 54.288 54.840 -0.047 0.000 0.810 256 L CB 1.019 43.074 42.059 -0.007 0.000 1.153 256 L HN 0.196 nan 8.230 nan 0.000 0.439 257 A N 3.789 126.557 122.820 -0.087 0.000 1.975 257 A HA 0.066 4.399 4.320 0.020 0.000 0.215 257 A C 0.182 177.859 177.584 0.154 0.000 1.170 257 A CA 0.979 53.036 52.037 0.032 0.000 0.656 257 A CB 0.009 19.052 19.000 0.072 0.000 0.821 257 A HN 0.740 nan 8.150 nan 0.000 0.449 258 Y N -5.126 115.202 120.300 0.047 0.000 2.677 258 Y HA 0.659 5.222 4.550 0.021 0.000 0.334 258 Y C -0.706 175.245 175.900 0.084 0.000 1.196 258 Y CA -1.443 56.697 58.100 0.067 0.000 1.059 258 Y CB 0.669 39.152 38.460 0.039 0.000 1.315 258 Y HN 0.152 nan 8.280 nan 0.000 0.455 259 A N 1.620 124.617 122.820 0.296 0.000 2.267 259 A HA 0.500 4.832 4.320 0.020 0.000 0.315 259 A C -0.821 176.847 177.584 0.141 0.000 1.297 259 A CA -0.594 51.553 52.037 0.183 0.000 0.865 259 A CB 0.519 19.700 19.000 0.301 0.000 1.165 259 A HN 0.725 nan 8.150 nan 0.000 0.513 260 E N 3.005 123.249 120.200 0.074 0.000 2.152 260 E HA 0.215 4.577 4.350 0.020 0.000 0.285 260 E C -0.691 175.855 176.600 -0.090 0.000 1.043 260 E CA -0.428 56.005 56.400 0.055 0.000 0.839 260 E CB 0.254 29.994 29.700 0.067 0.000 1.069 260 E HN 0.648 nan 8.360 nan 0.000 0.399 261 D N 4.999 125.336 120.400 -0.104 0.000 2.704 261 D HA -0.163 4.490 4.640 0.020 0.000 0.232 261 D C -1.724 174.391 176.300 -0.307 0.000 1.183 261 D CA 0.331 54.229 54.000 -0.170 0.000 0.647 261 D CB -0.438 40.297 40.800 -0.109 0.000 1.013 261 D HN 0.508 nan 8.370 nan 0.000 0.415 262 P HA -0.117 nan 4.420 nan 0.000 0.217 262 P C 0.936 178.047 177.300 -0.314 0.000 1.150 262 P CA 1.270 64.093 63.100 -0.462 0.000 0.832 262 P CB 0.126 31.391 31.700 -0.725 0.000 0.787 263 C N -4.389 114.749 119.300 -0.270 0.000 3.336 263 C HA 0.942 5.414 4.460 0.020 0.000 0.339 263 C C 0.161 175.105 174.990 -0.077 0.000 1.468 263 C CA -0.303 58.656 59.018 -0.099 0.000 1.287 263 C CB 1.520 29.270 27.740 0.016 0.000 1.682 263 C HN 0.375 nan 8.230 nan 0.000 0.451 264 G N -0.711 108.081 108.800 -0.013 0.000 2.782 264 G HA2 0.828 4.800 3.960 0.020 0.000 0.304 264 G HA3 0.828 4.800 3.960 0.020 0.000 0.304 264 G C -0.433 174.494 174.900 0.044 0.000 1.315 264 G CA -0.125 44.978 45.100 0.005 0.000 0.791 264 G HN 1.977 nan 8.290 nan 0.000 0.519 265 A N -0.240 122.609 122.820 0.048 0.000 2.587 265 A HA 0.502 4.834 4.320 0.020 0.000 0.235 265 A C 0.461 178.095 177.584 0.083 0.000 1.044 265 A CA 1.475 53.557 52.037 0.075 0.000 0.754 265 A CB -0.447 18.582 19.000 0.047 0.000 0.968 265 A HN 1.304 nan 8.150 nan 0.000 0.509 266 E N 0.589 120.868 120.200 0.132 0.000 2.392 266 E HA 0.374 4.736 4.350 0.020 0.000 0.281 266 E C -0.607 176.118 176.600 0.208 0.000 1.088 266 E CA -0.710 55.766 56.400 0.127 0.000 0.850 266 E CB 0.158 29.921 29.700 0.105 0.000 1.267 266 E HN 0.612 nan 8.360 nan 0.000 0.438 267 Q N 0.027 119.916 119.800 0.149 0.000 2.461 267 Q HA -0.311 4.041 4.340 0.020 0.000 0.264 267 Q C 0.809 176.823 176.000 0.022 0.000 1.085 267 Q CA 1.293 57.190 55.803 0.158 0.000 1.006 267 Q CB -1.936 26.978 28.738 0.294 0.000 1.437 267 Q HN 1.419 nan 8.270 nan 0.000 0.514 268 G N -1.577 107.186 108.800 -0.061 0.000 2.175 268 G HA2 -0.306 3.666 3.960 0.020 0.000 0.244 268 G HA3 -0.306 3.666 3.960 0.020 0.000 0.244 268 G C -0.159 174.502 174.900 -0.399 0.000 0.982 268 G CA 0.139 45.087 45.100 -0.253 0.000 0.641 268 G HN 0.300 nan 8.290 nan 0.000 0.527 269 F N 2.263 122.216 119.950 0.005 0.000 2.421 269 F HA 0.642 5.176 4.527 0.013 0.000 0.337 269 F C 1.193 176.996 175.800 0.005 0.000 1.105 269 F CA -0.263 57.741 58.000 0.008 0.000 1.049 269 F CB 1.690 40.702 39.000 0.021 0.000 1.139 269 F HN 0.246 nan 8.300 nan 0.000 0.479 270 S N 1.148 116.947 115.700 0.164 0.000 2.608 270 S HA 0.272 4.754 4.470 0.020 0.000 0.261 270 S C 1.364 176.030 174.600 0.109 0.000 1.314 270 S CA -0.270 57.985 58.200 0.092 0.000 0.992 270 S CB 1.118 64.347 63.200 0.047 0.000 0.935 270 S HN 0.882 nan 8.310 nan 0.000 0.564 271 G N 0.657 109.499 108.800 0.069 0.000 2.448 271 G HA2 -0.144 3.828 3.960 0.020 0.000 0.219 271 G HA3 -0.144 3.828 3.960 0.020 0.000 0.219 271 G C 1.526 176.468 174.900 0.070 0.000 1.127 271 G CA 0.320 45.455 45.100 0.059 0.000 0.766 271 G HN 0.788 nan 8.290 nan 0.000 0.552 272 R N 0.161 120.711 120.500 0.083 0.000 2.093 272 R HA 0.083 4.436 4.340 0.020 0.000 0.224 272 R C 2.461 178.825 176.300 0.106 0.000 1.101 272 R CA 1.164 57.322 56.100 0.097 0.000 0.979 272 R CB -0.179 30.191 30.300 0.117 0.000 0.877 272 R HN 0.403 nan 8.270 nan 0.000 0.441 273 E N 0.177 120.449 120.200 0.120 0.000 2.047 273 E HA -0.147 4.216 4.350 0.020 0.000 0.191 273 E C 2.001 178.647 176.600 0.076 0.000 0.987 273 E CA 1.325 57.800 56.400 0.125 0.000 0.799 273 E CB 0.011 29.847 29.700 0.226 0.000 0.752 273 E HN 0.047 nan 8.360 nan 0.000 0.449 274 V N 1.381 121.347 119.914 0.087 0.000 2.261 274 V HA -0.305 3.828 4.120 0.020 0.000 0.246 274 V C 2.334 178.489 176.094 0.101 0.000 1.047 274 V CA 1.700 64.035 62.300 0.058 0.000 1.015 274 V CB -0.423 31.445 31.823 0.076 0.000 0.642 274 V HN 0.361 nan 8.190 nan 0.000 0.446 275 M N -0.331 119.329 119.600 0.101 0.000 2.202 275 M HA -0.199 4.294 4.480 0.020 0.000 0.262 275 M C 2.340 178.759 176.300 0.198 0.000 1.063 275 M CA 2.138 57.519 55.300 0.136 0.000 1.097 275 M CB -0.938 31.706 32.600 0.075 0.000 1.382 275 M HN 0.464 nan 8.290 nan 0.000 0.413 276 A N 0.262 123.163 122.820 0.134 0.000 1.898 276 A HA -0.144 4.188 4.320 0.020 0.000 0.216 276 A C 1.993 179.633 177.584 0.094 0.000 1.181 276 A CA 1.441 53.546 52.037 0.113 0.000 0.620 276 A CB -0.564 18.486 19.000 0.084 0.000 0.819 276 A HN 0.523 nan 8.150 nan 0.000 0.442 277 E N -1.191 119.052 120.200 0.072 0.000 2.051 277 E HA -0.191 4.171 4.350 0.020 0.000 0.192 277 E C 1.772 178.416 176.600 0.073 0.000 0.991 277 E CA 1.353 57.773 56.400 0.032 0.000 0.799 277 E CB -0.317 29.366 29.700 -0.028 0.000 0.748 277 E HN 0.710 nan 8.360 nan 0.000 0.449 278 F N 2.018 121.975 119.950 0.011 0.000 2.091 278 F HA -0.253 4.283 4.527 0.015 0.000 0.299 278 F C 2.452 178.278 175.800 0.043 0.000 1.103 278 F CA 1.829 59.851 58.000 0.037 0.000 1.228 278 F CB -0.109 38.929 39.000 0.063 0.000 0.984 278 F HN -0.199 nan 8.300 nan 0.000 0.477 279 R N 0.295 120.873 120.500 0.130 0.000 2.082 279 R HA -0.230 4.122 4.340 0.020 0.000 0.234 279 R C 2.649 178.895 176.300 -0.090 0.000 1.136 279 R CA 2.024 58.144 56.100 0.032 0.000 0.935 279 R CB -0.525 29.870 30.300 0.159 0.000 0.842 279 R HN 0.315 nan 8.270 nan 0.000 0.430 280 R N -0.241 120.235 120.500 -0.041 0.000 2.105 280 R HA -0.141 4.212 4.340 0.020 0.000 0.239 280 R C 2.018 178.263 176.300 -0.092 0.000 1.135 280 R CA 1.680 57.752 56.100 -0.048 0.000 0.967 280 R CB -0.258 30.030 30.300 -0.020 0.000 0.861 280 R HN 0.350 nan 8.270 nan 0.000 0.442 281 A N -0.398 122.340 122.820 -0.136 0.000 1.968 281 A HA -0.105 4.227 4.320 0.020 0.000 0.217 281 A C 2.084 179.556 177.584 -0.187 0.000 1.169 281 A CA 1.739 53.690 52.037 -0.143 0.000 0.638 281 A CB -0.440 18.480 19.000 -0.134 0.000 0.812 281 A HN 0.616 nan 8.150 nan 0.000 0.446 282 T N -5.358 109.006 114.554 -0.316 0.000 3.040 282 T HA 0.393 4.755 4.350 0.020 0.000 0.252 282 T C 1.506 176.100 174.700 -0.177 0.000 1.064 282 T CA 1.184 63.105 62.100 -0.297 0.000 1.110 282 T CB 0.041 68.584 68.868 -0.541 0.000 0.921 282 T HN 1.658 nan 8.240 nan 0.000 0.480 283 G N 1.434 110.143 108.800 -0.152 0.000 2.148 283 G HA2 -0.200 3.772 3.960 0.020 0.000 0.254 283 G HA3 -0.200 3.772 3.960 0.020 0.000 0.254 283 G C -0.104 174.779 174.900 -0.028 0.000 0.981 283 G CA 0.281 45.341 45.100 -0.066 0.000 0.670 283 G HN 0.643 nan 8.290 nan 0.000 0.528 284 L N 1.154 122.352 121.223 -0.043 0.000 2.312 284 L HA 0.435 4.787 4.340 0.020 0.000 0.281 284 L C -1.708 175.255 176.870 0.156 0.000 1.070 284 L CA -2.259 52.625 54.840 0.073 0.000 0.805 284 L CB 1.368 43.513 42.059 0.142 0.000 1.174 284 L HN -0.122 nan 8.230 nan 0.000 0.434 285 P HA 0.099 nan 4.420 nan 0.000 0.269 285 P C -0.729 176.729 177.300 0.263 0.000 1.215 285 P CA -0.233 62.978 63.100 0.184 0.000 0.780 285 P CB 0.681 32.486 31.700 0.174 0.000 0.898 286 T N -1.259 113.418 114.554 0.206 0.000 2.908 286 T HA 0.839 5.201 4.350 0.020 0.000 0.290 286 T C -0.783 173.969 174.700 0.086 0.000 1.034 286 T CA -0.899 61.323 62.100 0.202 0.000 1.010 286 T CB 1.862 70.848 68.868 0.197 0.000 1.068 286 T HN 0.401 nan 8.240 nan 0.000 0.481 287 A N 1.011 123.880 122.820 0.081 0.000 2.423 287 A HA 0.935 5.267 4.320 0.020 0.000 0.304 287 A C -0.201 177.389 177.584 0.009 0.000 1.104 287 A CA -0.913 51.108 52.037 -0.025 0.000 0.757 287 A CB 2.003 20.956 19.000 -0.078 0.000 1.313 287 A HN 1.125 nan 8.150 nan 0.000 0.423 288 T N 0.184 114.734 114.554 -0.007 0.000 2.942 288 T HA 0.458 4.820 4.350 0.020 0.000 0.327 288 T C -0.898 173.830 174.700 0.047 0.000 1.360 288 T CA -0.195 61.915 62.100 0.017 0.000 1.055 288 T CB 0.838 69.720 68.868 0.024 0.000 1.261 288 T HN 0.900 nan 8.240 nan 0.000 0.485 289 N N 3.370 122.099 118.700 0.047 0.000 2.240 289 N HA 0.179 4.931 4.740 0.020 0.000 0.240 289 N C 0.510 175.979 175.510 -0.068 0.000 1.277 289 N CA -0.292 52.789 53.050 0.053 0.000 0.873 289 N CB 0.598 39.071 38.487 -0.024 0.000 1.222 289 N HN 0.501 nan 8.380 nan 0.000 0.507 290 M N 0.116 119.696 119.600 -0.034 0.000 2.312 290 M HA 0.306 4.799 4.480 0.020 0.000 0.260 290 M C 1.664 177.941 176.300 -0.039 0.000 1.253 290 M CA 0.301 55.557 55.300 -0.073 0.000 1.114 290 M CB 0.529 33.096 32.600 -0.056 0.000 1.660 290 M HN 0.093 nan 8.290 nan 0.000 0.581 291 I N -1.886 118.689 120.570 0.007 0.000 3.968 291 I HA 0.485 4.667 4.170 0.020 0.000 0.328 291 I C 0.416 176.577 176.117 0.074 0.000 1.290 291 I CA -0.101 61.219 61.300 0.032 0.000 1.163 291 I CB 0.396 38.419 38.000 0.039 0.000 1.024 291 I HN 0.033 nan 8.210 nan 0.000 0.413 292 A N 1.490 124.373 122.820 0.106 0.000 3.156 292 A HA 0.481 4.813 4.320 0.020 0.000 0.311 292 A C 0.464 178.239 177.584 0.317 0.000 1.129 292 A CA 0.038 52.182 52.037 0.178 0.000 0.809 292 A CB -0.346 18.750 19.000 0.160 0.000 1.257 292 A HN 0.364 nan 8.150 nan 0.000 0.491 293 T N -2.807 111.857 114.554 0.184 0.000 3.040 293 T HA 0.423 4.785 4.350 0.020 0.000 0.266 293 T C -0.033 174.334 174.700 -0.556 0.000 1.005 293 T CA 0.596 62.768 62.100 0.119 0.000 0.906 293 T CB -0.361 68.421 68.868 -0.144 0.000 1.082 293 T HN 0.656 nan 8.240 nan 0.000 0.531 294 D N -1.592 118.544 120.400 -0.440 0.000 2.643 294 D HA 0.293 4.946 4.640 0.020 0.000 0.283 294 D C -0.016 176.212 176.300 -0.121 0.000 1.242 294 D CA -1.127 52.480 54.000 -0.656 0.000 0.863 294 D CB -0.037 40.569 40.800 -0.323 0.000 1.382 294 D HN 0.026 nan 8.370 nan 0.000 0.444 295 W N -0.122 121.264 121.300 0.145 0.000 2.388 295 W HA 0.059 4.725 4.660 0.010 0.000 0.294 295 W C 2.576 179.182 176.519 0.145 0.000 1.212 295 W CA 0.831 58.320 57.345 0.240 0.000 1.271 295 W CB -0.112 29.467 29.460 0.198 0.000 1.126 295 W HN 0.436 nan 8.180 nan 0.000 0.535 296 R N 0.869 121.547 120.500 0.298 0.000 2.080 296 R HA -0.239 4.113 4.340 0.020 0.000 0.236 296 R C 2.056 178.485 176.300 0.214 0.000 1.137 296 R CA 2.156 58.380 56.100 0.207 0.000 0.943 296 R CB -0.603 29.798 30.300 0.168 0.000 0.846 296 R HN 0.239 nan 8.270 nan 0.000 0.431 297 Q N -0.354 119.563 119.800 0.196 0.000 2.124 297 Q HA -0.212 4.140 4.340 0.020 0.000 0.202 297 Q C 2.086 178.213 176.000 0.210 0.000 0.977 297 Q CA 1.798 57.720 55.803 0.199 0.000 0.850 297 Q CB -0.087 28.725 28.738 0.124 0.000 0.901 297 Q HN 0.294 nan 8.270 nan 0.000 0.429 298 M N 0.062 119.801 119.600 0.232 0.000 2.117 298 M HA -0.062 4.430 4.480 0.020 0.000 0.262 298 M C 1.890 178.320 176.300 0.217 0.000 1.065 298 M CA 1.911 57.355 55.300 0.239 0.000 1.114 298 M CB -0.767 31.998 32.600 0.276 0.000 1.361 298 M HN 0.182 nan 8.290 nan 0.000 0.408 299 G N -0.687 108.222 108.800 0.182 0.000 2.446 299 G HA2 -0.256 3.716 3.960 0.020 0.000 0.217 299 G HA3 -0.256 3.716 3.960 0.020 0.000 0.217 299 G C 1.490 176.355 174.900 -0.059 0.000 1.168 299 G CA 1.247 46.369 45.100 0.037 0.000 0.771 299 G HN 0.590 nan 8.290 nan 0.000 0.551 300 H N 0.274 119.424 119.070 0.133 0.000 2.423 300 H HA -0.032 4.529 4.556 0.008 0.000 0.297 300 H C 2.919 178.308 175.328 0.102 0.000 1.075 300 H CA 1.569 57.679 56.048 0.104 0.000 1.342 300 H CB -0.592 29.224 29.762 0.090 0.000 1.395 300 H HN 0.258 nan 8.280 nan 0.000 0.530 301 T N 1.728 116.406 114.554 0.207 0.000 2.684 301 T HA -0.113 4.249 4.350 0.020 0.000 0.267 301 T C 2.462 177.242 174.700 0.134 0.000 1.036 301 T CA 0.985 63.181 62.100 0.160 0.000 1.148 301 T CB -0.382 68.576 68.868 0.151 0.000 0.863 301 T HN 0.183 nan 8.240 nan 0.000 0.436 302 L N 0.844 122.147 121.223 0.133 0.000 2.042 302 L HA -0.126 4.226 4.340 0.020 0.000 0.210 302 L C 2.875 179.787 176.870 0.070 0.000 1.076 302 L CA 1.101 56.006 54.840 0.108 0.000 0.749 302 L CB -0.703 41.431 42.059 0.126 0.000 0.893 302 L HN 0.231 nan 8.230 nan 0.000 0.432 303 S N 0.095 115.842 115.700 0.078 0.000 2.368 303 S HA -0.123 4.359 4.470 0.020 0.000 0.225 303 S C 1.930 176.576 174.600 0.078 0.000 1.030 303 S CA 1.292 59.535 58.200 0.071 0.000 0.999 303 S CB -0.263 62.997 63.200 0.100 0.000 0.844 303 S HN 0.305 nan 8.310 nan 0.000 0.459 304 L N 0.546 121.830 121.223 0.102 0.000 2.341 304 L HA 0.121 4.473 4.340 0.020 0.000 0.214 304 L C 0.424 177.341 176.870 0.079 0.000 1.115 304 L CA 0.333 55.230 54.840 0.095 0.000 0.820 304 L CB -0.335 41.794 42.059 0.117 0.000 0.944 304 L HN 0.272 nan 8.230 nan 0.000 0.452 305 Q N -0.312 119.536 119.800 0.079 0.000 2.464 305 Q HA -0.186 4.167 4.340 0.020 0.000 0.304 305 Q C 0.945 176.995 176.000 0.084 0.000 1.401 305 Q CA 0.409 56.256 55.803 0.072 0.000 0.806 305 Q CB -1.648 27.121 28.738 0.052 0.000 1.134 305 Q HN 0.449 nan 8.270 nan 0.000 0.411 306 S N -1.429 114.329 115.700 0.097 0.000 2.478 306 S HA 0.138 4.621 4.470 0.020 0.000 0.222 306 S C 0.703 175.365 174.600 0.104 0.000 1.008 306 S CA 0.375 58.638 58.200 0.105 0.000 0.928 306 S CB 0.810 64.074 63.200 0.105 0.000 0.781 306 S HN 0.278 nan 8.310 nan 0.000 0.518 307 V N 2.370 122.338 119.914 0.091 0.000 2.638 307 V HA 0.294 4.427 4.120 0.020 0.000 0.306 307 V C -0.223 175.906 176.094 0.059 0.000 1.052 307 V CA -0.715 61.629 62.300 0.072 0.000 0.885 307 V CB 2.152 34.011 31.823 0.059 0.000 0.999 307 V HN 0.160 nan 8.190 nan 0.000 0.424 308 D N 3.215 123.642 120.400 0.044 0.000 2.277 308 D HA 0.200 4.852 4.640 0.020 0.000 0.209 308 D C 0.304 176.590 176.300 -0.024 0.000 0.970 308 D CA 1.205 55.221 54.000 0.027 0.000 0.874 308 D CB 1.149 41.969 40.800 0.032 0.000 0.982 308 D HN 0.380 nan 8.370 nan 0.000 0.504 309 I N 2.575 123.097 120.570 -0.081 0.000 2.466 309 I HA 0.202 4.384 4.170 0.020 0.000 0.279 309 I C -2.658 173.363 176.117 -0.160 0.000 1.033 309 I CA -1.996 59.202 61.300 -0.170 0.000 1.123 309 I CB 2.392 40.167 38.000 -0.374 0.000 1.237 309 I HN -0.372 nan 8.210 nan 0.000 0.460 310 P HA 0.255 nan 4.420 nan 0.000 0.287 310 P C -0.609 176.518 177.300 -0.288 0.000 1.294 310 P CA -0.175 62.836 63.100 -0.148 0.000 0.776 310 P CB 0.674 32.291 31.700 -0.140 0.000 0.889 311 L N 2.867 123.966 121.223 -0.207 0.000 2.302 311 L HA 0.426 4.779 4.340 0.020 0.000 0.285 311 L C 0.759 177.486 176.870 -0.240 0.000 1.090 311 L CA -0.547 54.130 54.840 -0.270 0.000 0.866 311 L CB 0.278 42.290 42.059 -0.078 0.000 1.244 311 L HN 0.335 nan 8.230 nan 0.000 0.435 312 A N 2.262 124.751 122.820 -0.551 0.000 2.910 312 A HA 0.147 4.480 4.320 0.020 0.000 0.316 312 A C -0.008 177.339 177.584 -0.395 0.000 1.493 312 A CA -0.558 51.120 52.037 -0.599 0.000 1.150 312 A CB -0.232 18.205 19.000 -0.939 0.000 1.159 312 A HN 0.620 nan 8.150 nan 0.000 0.526 313 D N 3.538 123.716 120.400 -0.370 0.000 2.434 313 D HA 0.067 4.719 4.640 0.020 0.000 0.252 313 D C -1.312 174.886 176.300 -0.169 0.000 1.185 313 D CA -1.595 52.294 54.000 -0.186 0.000 0.886 313 D CB 1.178 42.020 40.800 0.071 0.000 1.148 313 D HN 0.213 nan 8.370 nan 0.000 0.483 314 P HA -0.127 nan 4.420 nan 0.000 0.220 314 P C 0.725 178.044 177.300 0.032 0.000 1.148 314 P CA 1.204 64.327 63.100 0.039 0.000 0.803 314 P CB 0.080 31.791 31.700 0.017 0.000 0.782 315 H N -0.981 118.204 119.070 0.193 0.000 2.421 315 H HA -0.079 4.489 4.556 0.020 0.000 0.298 315 H C 1.542 177.139 175.328 0.448 0.000 1.087 315 H CA 1.611 57.840 56.048 0.303 0.000 1.330 315 H CB -0.814 29.129 29.762 0.301 0.000 1.388 315 H HN 0.311 nan 8.280 nan 0.000 0.526 316 F N -4.291 115.926 119.950 0.444 0.000 2.678 316 F HA 0.247 4.784 4.527 0.018 0.000 0.305 316 F C 0.768 176.554 175.800 -0.023 0.000 1.090 316 F CA -0.563 57.554 58.000 0.195 0.000 1.272 316 F CB -0.079 38.997 39.000 0.127 0.000 1.060 316 F HN -0.048 nan 8.300 nan 0.000 0.576 317 W N 2.337 123.572 121.300 -0.108 0.000 2.868 317 W HA 0.299 4.968 4.660 0.015 0.000 0.320 317 W C 0.246 176.786 176.519 0.035 0.000 1.076 317 W CA 1.035 58.341 57.345 -0.065 0.000 1.576 317 W CB 0.290 29.636 29.460 -0.190 0.000 1.030 317 W HN 0.209 nan 8.180 nan 0.000 0.558 318 T N -2.751 111.950 114.554 0.244 0.000 0.541 318 T HA -0.313 4.049 4.350 0.020 0.000 0.774 318 T C 0.503 175.308 174.700 0.177 0.000 0.992 318 T CA 0.535 62.751 62.100 0.194 0.000 4.077 318 T CB -0.792 68.189 68.868 0.188 0.000 2.303 318 T HN 0.126 nan 8.240 nan 0.000 0.398 319 M N 1.819 121.495 119.600 0.127 0.000 2.065 319 M HA -0.145 4.348 4.480 0.020 0.000 0.259 319 M C 2.726 179.096 176.300 0.116 0.000 1.069 319 M CA 2.674 58.038 55.300 0.107 0.000 1.110 319 M CB -0.557 32.090 32.600 0.080 0.000 1.328 319 M HN 0.815 nan 8.290 nan 0.000 0.405 320 Q N -0.068 119.812 119.800 0.133 0.000 2.170 320 Q HA -0.075 4.277 4.340 0.020 0.000 0.203 320 Q C 2.242 178.335 176.000 0.154 0.000 0.976 320 Q CA 1.328 57.205 55.803 0.124 0.000 0.858 320 Q CB -0.464 28.350 28.738 0.128 0.000 0.907 320 Q HN 0.701 nan 8.270 nan 0.000 0.433 321 G N 0.286 109.223 108.800 0.227 0.000 2.408 321 G HA2 -0.273 3.699 3.960 0.020 0.000 0.217 321 G HA3 -0.273 3.699 3.960 0.020 0.000 0.217 321 G C 1.456 176.502 174.900 0.243 0.000 1.150 321 G CA 0.865 46.178 45.100 0.355 0.000 0.776 321 G HN 0.353 nan 8.290 nan 0.000 0.542 322 S N -0.241 115.554 115.700 0.157 0.000 2.382 322 S HA -0.101 4.381 4.470 0.020 0.000 0.228 322 S C 2.470 177.049 174.600 -0.035 0.000 1.027 322 S CA 1.505 59.734 58.200 0.048 0.000 0.991 322 S CB -0.233 63.066 63.200 0.166 0.000 0.823 322 S HN 0.110 nan 8.310 nan 0.000 0.469 323 V N 2.094 121.962 119.914 -0.076 0.000 2.515 323 V HA -0.058 4.074 4.120 0.020 0.000 0.250 323 V C 2.761 178.764 176.094 -0.151 0.000 1.058 323 V CA 1.603 63.771 62.300 -0.219 0.000 1.064 323 V CB -0.689 31.053 31.823 -0.135 0.000 0.675 323 V HN 0.420 nan 8.190 nan 0.000 0.461 324 R N -0.284 120.218 120.500 0.004 0.000 2.081 324 R HA -0.118 4.234 4.340 0.020 0.000 0.235 324 R C 2.261 178.623 176.300 0.105 0.000 1.131 324 R CA 1.456 57.607 56.100 0.085 0.000 0.960 324 R CB -0.439 30.013 30.300 0.253 0.000 0.856 324 R HN 0.434 nan 8.270 nan 0.000 0.436 325 V N 0.820 120.760 119.914 0.043 0.000 2.358 325 V HA -0.226 3.906 4.120 0.020 0.000 0.246 325 V C 2.495 178.548 176.094 -0.069 0.000 1.047 325 V CA 1.852 64.107 62.300 -0.076 0.000 1.035 325 V CB -0.748 30.779 31.823 -0.493 0.000 0.658 325 V HN 0.380 nan 8.190 nan 0.000 0.452 326 A N -0.526 122.132 122.820 -0.271 0.000 1.908 326 A HA -0.326 4.006 4.320 0.020 0.000 0.218 326 A C 2.178 179.611 177.584 -0.251 0.000 1.181 326 A CA 2.200 53.901 52.037 -0.560 0.000 0.627 326 A CB -0.495 17.697 19.000 -1.346 0.000 0.818 326 A HN 0.659 nan 8.150 nan 0.000 0.445 327 Q N -1.400 118.282 119.800 -0.197 0.000 2.119 327 Q HA -0.095 4.258 4.340 0.020 0.000 0.201 327 Q C 2.195 178.122 176.000 -0.122 0.000 0.972 327 Q CA 1.468 57.203 55.803 -0.113 0.000 0.847 327 Q CB -0.271 28.407 28.738 -0.100 0.000 0.903 327 Q HN 0.799 nan 8.270 nan 0.000 0.433 328 M N 0.043 119.546 119.600 -0.162 0.000 2.159 328 M HA -0.187 4.306 4.480 0.020 0.000 0.263 328 M C 1.844 177.965 176.300 -0.299 0.000 1.063 328 M CA 1.264 56.346 55.300 -0.364 0.000 1.110 328 M CB -0.096 32.354 32.600 -0.249 0.000 1.374 328 M HN 0.350 nan 8.290 nan 0.000 0.411 329 C N -0.085 119.174 119.300 -0.068 0.000 2.432 329 C HA -0.187 4.285 4.460 0.020 0.000 0.277 329 C C 2.639 177.676 174.990 0.078 0.000 1.249 329 C CA 1.547 60.596 59.018 0.051 0.000 1.725 329 C CB -1.593 26.221 27.740 0.123 0.000 2.028 329 C HN 0.687 nan 8.230 nan 0.000 0.477 330 H N 1.119 120.163 119.070 -0.043 0.000 2.321 330 H HA -0.117 4.452 4.556 0.023 0.000 0.300 330 H C 1.983 177.306 175.328 -0.008 0.000 1.087 330 H CA 2.139 58.171 56.048 -0.027 0.000 1.319 330 H CB -0.270 29.454 29.762 -0.063 0.000 1.379 330 H HN 0.537 nan 8.280 nan 0.000 0.501 331 E N -1.180 118.902 120.200 -0.197 0.000 2.204 331 E HA -0.084 4.279 4.350 0.020 0.000 0.194 331 E C 0.868 177.521 176.600 0.089 0.000 0.989 331 E CA 0.691 56.974 56.400 -0.194 0.000 0.824 331 E CB 0.104 29.665 29.700 -0.231 0.000 0.756 331 E HN 0.436 nan 8.360 nan 0.000 0.477 332 F N -1.031 118.891 119.950 -0.047 0.000 2.695 332 F HA 0.338 4.895 4.527 0.051 0.000 0.303 332 F C 1.529 177.320 175.800 -0.016 0.000 1.091 332 F CA 0.382 58.371 58.000 -0.019 0.000 1.300 332 F CB 0.673 39.685 39.000 0.019 0.000 1.071 332 F HN 0.041 nan 8.300 nan 0.000 0.578 333 G N 0.763 109.653 108.800 0.150 0.000 2.141 333 G HA2 -0.245 3.727 3.960 0.020 0.000 0.231 333 G HA3 -0.245 3.727 3.960 0.020 0.000 0.231 333 G C 0.309 175.274 174.900 0.107 0.000 0.984 333 G CA 0.149 45.307 45.100 0.097 0.000 0.660 333 G HN 0.258 nan 8.290 nan 0.000 0.525 334 L N -0.299 121.003 121.223 0.132 0.000 2.657 334 L HA 0.755 5.107 4.340 0.020 0.000 0.240 334 L C 0.652 177.578 176.870 0.094 0.000 1.151 334 L CA -0.577 54.327 54.840 0.106 0.000 0.831 334 L CB 1.068 43.197 42.059 0.117 0.000 1.539 334 L HN 0.104 nan 8.230 nan 0.000 0.511 335 T N -0.879 113.713 114.554 0.064 0.000 2.841 335 T HA 0.231 4.593 4.350 0.020 0.000 0.285 335 T C -1.205 173.536 174.700 0.069 0.000 0.991 335 T CA -0.338 61.801 62.100 0.065 0.000 0.966 335 T CB 1.097 69.970 68.868 0.009 0.000 0.962 335 T HN 0.427 nan 8.240 nan 0.000 0.438 336 W N 3.018 124.268 121.300 -0.084 0.000 2.316 336 W HA 0.624 5.294 4.660 0.016 0.000 0.321 336 W C 0.259 176.700 176.519 -0.129 0.000 1.203 336 W CA 0.170 57.443 57.345 -0.120 0.000 1.214 336 W CB 0.711 30.101 29.460 -0.117 0.000 1.169 336 W HN 0.838 nan 8.180 nan 0.000 0.561 337 G N 1.882 110.143 108.800 -0.899 0.000 2.866 337 G HA2 0.559 4.532 3.960 0.020 0.000 0.289 337 G HA3 0.559 4.532 3.960 0.020 0.000 0.289 337 G C -1.724 172.236 174.900 -1.567 0.000 1.396 337 G CA -0.815 43.677 45.100 -1.014 0.000 0.848 337 G HN 0.503 nan 8.290 nan 0.000 0.515 338 S N -1.242 113.869 115.700 -0.982 0.000 2.548 338 S HA 0.509 4.992 4.470 0.020 0.000 0.276 338 S C -1.026 173.382 174.600 -0.320 0.000 1.129 338 S CA -0.776 57.002 58.200 -0.703 0.000 0.931 338 S CB 1.141 63.956 63.200 -0.641 0.000 1.068 338 S HN 0.932 nan 8.310 nan 0.000 0.480 339 H N 2.348 121.287 119.070 -0.219 0.000 2.508 339 H HA 0.783 5.352 4.556 0.021 0.000 0.344 339 H C -0.551 174.800 175.328 0.039 0.000 1.192 339 H CA -0.086 55.958 56.048 -0.007 0.000 1.290 339 H CB 1.611 31.495 29.762 0.204 0.000 1.571 339 H HN 0.600 nan 8.280 nan 0.000 0.555 340 S N 3.004 118.300 115.700 -0.672 0.000 2.651 340 S HA 0.476 4.958 4.470 0.020 0.000 0.279 340 S C -1.359 173.077 174.600 -0.272 0.000 1.148 340 S CA -0.929 57.085 58.200 -0.310 0.000 0.837 340 S CB 1.682 64.904 63.200 0.036 0.000 1.138 340 S HN 0.826 nan 8.310 nan 0.000 0.478 341 N N 1.188 119.779 118.700 -0.183 0.000 2.321 341 N HA 0.388 5.140 4.740 0.020 0.000 0.290 341 N C -1.645 173.439 175.510 -0.711 0.000 1.212 341 N CA -0.671 52.082 53.050 -0.495 0.000 0.767 341 N CB 1.299 39.660 38.487 -0.209 0.000 1.494 341 N HN 0.732 nan 8.380 nan 0.000 0.479 342 N N 0.654 118.702 118.700 -1.086 0.000 2.292 342 N HA -0.014 4.738 4.740 0.020 0.000 0.258 342 N C -0.473 174.704 175.510 -0.556 0.000 1.261 342 N CA 0.934 53.452 53.050 -0.885 0.000 0.845 342 N CB -0.005 37.756 38.487 -1.209 0.000 1.064 342 N HN 0.555 nan 8.380 nan 0.000 0.471 343 H N -0.964 117.881 119.070 -0.375 0.000 2.960 343 H HA 0.591 5.159 4.556 0.021 0.000 0.323 343 H C -1.267 174.166 175.328 0.175 0.000 1.326 343 H CA -1.024 55.032 56.048 0.015 0.000 1.124 343 H CB 0.414 30.259 29.762 0.138 0.000 1.853 343 H HN 0.284 nan 8.280 nan 0.000 0.536 344 F N -0.005 120.270 119.950 0.542 0.000 2.362 344 F HA 0.168 4.708 4.527 0.020 0.000 0.340 344 F C 1.519 177.399 175.800 0.134 0.000 1.088 344 F CA -0.253 58.019 58.000 0.452 0.000 1.096 344 F CB 0.647 39.845 39.000 0.330 0.000 1.486 344 F HN 0.809 nan 8.300 nan 0.000 0.500 345 D N -0.344 120.104 120.400 0.081 0.000 2.347 345 D HA -0.076 4.577 4.640 0.020 0.000 0.215 345 D C 1.752 177.851 176.300 -0.334 0.000 0.976 345 D CA 1.083 54.814 54.000 -0.448 0.000 0.884 345 D CB -0.359 40.162 40.800 -0.464 0.000 0.915 345 D HN 0.447 nan 8.370 nan 0.000 0.526 346 I N 0.644 121.158 120.570 -0.094 0.000 2.277 346 I HA -0.202 3.981 4.170 0.020 0.000 0.243 346 I C 2.279 178.317 176.117 -0.132 0.000 1.094 346 I CA 0.721 61.950 61.300 -0.118 0.000 1.393 346 I CB -0.156 37.833 38.000 -0.018 0.000 1.078 346 I HN -0.089 nan 8.210 nan 0.000 0.417 347 S N 0.992 116.703 115.700 0.019 0.000 2.382 347 S HA -0.175 4.308 4.470 0.020 0.000 0.228 347 S C 1.914 176.222 174.600 -0.486 0.000 1.027 347 S CA 1.168 59.398 58.200 0.050 0.000 0.991 347 S CB -0.418 62.950 63.200 0.282 0.000 0.823 347 S HN 0.281 nan 8.310 nan 0.000 0.469 348 L N 2.178 123.019 121.223 -0.636 0.000 1.990 348 L HA -0.148 4.204 4.340 0.020 0.000 0.213 348 L C 2.369 178.617 176.870 -1.038 0.000 1.072 348 L CA 2.173 56.334 54.840 -1.132 0.000 0.755 348 L CB -1.163 40.416 42.059 -0.800 0.000 0.889 348 L HN 0.254 nan 8.230 nan 0.000 0.432 349 A N -0.848 121.460 122.820 -0.853 0.000 1.908 349 A HA -0.266 4.066 4.320 0.020 0.000 0.218 349 A C 2.277 179.764 177.584 -0.162 0.000 1.181 349 A CA 2.294 53.937 52.037 -0.657 0.000 0.627 349 A CB -0.608 17.945 19.000 -0.746 0.000 0.818 349 A HN 0.575 nan 8.150 nan 0.000 0.445 350 M N -0.840 118.633 119.600 -0.212 0.000 2.065 350 M HA -0.156 4.337 4.480 0.020 0.000 0.259 350 M C 2.116 178.446 176.300 0.050 0.000 1.069 350 M CA 2.336 57.606 55.300 -0.049 0.000 1.110 350 M CB -0.696 31.866 32.600 -0.064 0.000 1.328 350 M HN 0.704 nan 8.290 nan 0.000 0.405 351 F N -1.502 118.465 119.950 0.027 0.000 2.456 351 F HA 0.085 4.625 4.527 0.022 0.000 0.298 351 F C 2.070 177.941 175.800 0.118 0.000 1.104 351 F CA 0.660 58.704 58.000 0.072 0.000 1.435 351 F CB -1.460 37.576 39.000 0.059 0.000 1.078 351 F HN -0.088 nan 8.300 nan 0.000 0.546 352 T N 0.027 114.607 114.554 0.043 0.000 2.674 352 T HA -0.202 4.161 4.350 0.020 0.000 0.265 352 T C 1.499 176.225 174.700 0.044 0.000 1.039 352 T CA 2.354 64.503 62.100 0.083 0.000 1.150 352 T CB -0.567 68.338 68.868 0.063 0.000 0.864 352 T HN 0.454 nan 8.240 nan 0.000 0.427 353 H N -0.013 119.117 119.070 0.100 0.000 2.353 353 H HA 0.002 4.570 4.556 0.020 0.000 0.300 353 H C 2.307 177.662 175.328 0.045 0.000 1.090 353 H CA 1.245 57.331 56.048 0.063 0.000 1.327 353 H CB -0.437 29.350 29.762 0.043 0.000 1.383 353 H HN 0.081 nan 8.280 nan 0.000 0.508 354 V N 0.519 120.549 119.914 0.194 0.000 2.261 354 V HA -0.294 3.838 4.120 0.020 0.000 0.246 354 V C 2.540 178.646 176.094 0.021 0.000 1.047 354 V CA 1.827 64.200 62.300 0.123 0.000 1.015 354 V CB -0.927 31.022 31.823 0.209 0.000 0.642 354 V HN 0.609 nan 8.190 nan 0.000 0.446 355 A N -0.249 122.677 122.820 0.176 0.000 1.972 355 A HA -0.079 4.253 4.320 0.020 0.000 0.219 355 A C 2.371 179.935 177.584 -0.034 0.000 1.169 355 A CA 1.819 53.930 52.037 0.124 0.000 0.635 355 A CB -0.722 18.514 19.000 0.394 0.000 0.810 355 A HN 0.603 nan 8.150 nan 0.000 0.446 356 A N -0.544 122.273 122.820 -0.005 0.000 2.076 356 A HA 0.195 4.528 4.320 0.020 0.000 0.220 356 A C 2.101 179.638 177.584 -0.079 0.000 1.160 356 A CA 1.814 53.824 52.037 -0.044 0.000 0.653 356 A CB -0.544 18.423 19.000 -0.054 0.000 0.801 356 A HN 1.101 nan 8.150 nan 0.000 0.455 357 A N -1.241 121.511 122.820 -0.112 0.000 2.348 357 A HA 0.650 4.982 4.320 0.020 0.000 0.224 357 A C 1.092 178.515 177.584 -0.268 0.000 1.227 357 A CA 0.562 52.511 52.037 -0.147 0.000 0.885 357 A CB -0.453 18.488 19.000 -0.097 0.000 0.933 357 A HN 0.875 nan 8.150 nan 0.000 0.506 358 A N 1.863 124.446 122.820 -0.394 0.000 2.409 358 A HA 0.592 4.925 4.320 0.020 0.000 0.267 358 A C -2.599 174.773 177.584 -0.353 0.000 1.127 358 A CA -1.311 50.384 52.037 -0.570 0.000 0.795 358 A CB -0.057 18.382 19.000 -0.934 0.000 1.061 358 A HN 0.226 nan 8.150 nan 0.000 0.502 359 P HA 0.474 nan 4.420 nan 0.000 0.276 359 P C 0.896 177.889 177.300 -0.511 0.000 1.244 359 P CA 1.193 64.052 63.100 -0.401 0.000 0.801 359 P CB 0.940 32.377 31.700 -0.439 0.000 1.006 360 G N 0.833 109.288 108.800 -0.575 0.000 2.569 360 G HA2 -0.222 3.751 3.960 0.020 0.000 0.259 360 G HA3 -0.222 3.751 3.960 0.020 0.000 0.259 360 G C -0.561 174.264 174.900 -0.126 0.000 1.263 360 G CA -0.320 44.528 45.100 -0.420 0.000 0.928 360 G HN 0.799 nan 8.290 nan 0.000 0.572 361 K N 1.115 121.513 120.400 -0.003 0.000 2.276 361 K HA 0.523 4.855 4.320 0.020 0.000 0.285 361 K C 0.598 177.238 176.600 0.066 0.000 1.062 361 K CA -0.223 56.085 56.287 0.035 0.000 0.918 361 K CB 0.075 32.608 32.500 0.056 0.000 1.055 361 K HN 0.776 nan 8.250 nan 0.000 0.477 362 I N -0.434 120.183 120.570 0.078 0.000 3.023 362 I HA 0.449 4.631 4.170 0.020 0.000 0.312 362 I C 0.183 176.353 176.117 0.088 0.000 1.056 362 I CA -0.913 60.472 61.300 0.142 0.000 1.033 362 I CB 1.897 40.054 38.000 0.261 0.000 1.233 362 I HN 0.345 nan 8.210 nan 0.000 0.462 363 T N 1.513 116.095 114.554 0.046 0.000 2.881 363 T HA 0.650 5.012 4.350 0.020 0.000 0.278 363 T C 0.106 174.803 174.700 -0.006 0.000 0.982 363 T CA -0.252 61.839 62.100 -0.015 0.000 0.989 363 T CB 1.029 69.821 68.868 -0.126 0.000 1.058 363 T HN 0.875 nan 8.240 nan 0.000 0.529 364 A N 3.348 126.168 122.820 -0.002 0.000 2.520 364 A HA 0.405 4.738 4.320 0.020 0.000 0.245 364 A C 0.298 177.847 177.584 -0.058 0.000 1.072 364 A CA -0.335 51.698 52.037 -0.006 0.000 0.761 364 A CB -0.373 18.616 19.000 -0.019 0.000 1.004 364 A HN 0.678 nan 8.150 nan 0.000 0.499 365 I N 2.775 123.323 120.570 -0.037 0.000 2.471 365 I HA 0.094 4.277 4.170 0.020 0.000 0.286 365 I C 0.093 176.133 176.117 -0.127 0.000 1.079 365 I CA -0.439 60.801 61.300 -0.100 0.000 1.398 365 I CB 0.322 38.336 38.000 0.022 0.000 1.403 365 I HN 0.565 nan 8.210 nan 0.000 0.530 366 D N 4.020 124.288 120.400 -0.220 0.000 2.399 366 D HA 0.336 4.988 4.640 0.020 0.000 0.241 366 D C 0.428 176.661 176.300 -0.112 0.000 1.133 366 D CA 0.456 54.335 54.000 -0.201 0.000 0.890 366 D CB 0.804 41.467 40.800 -0.229 0.000 1.201 366 D HN 0.537 nan 8.370 nan 0.000 0.432 367 T N 0.272 114.908 114.554 0.136 0.000 3.012 367 T HA 0.238 4.600 4.350 0.020 0.000 0.330 367 T C -0.442 174.590 174.700 0.553 0.000 1.321 367 T CA -0.574 61.788 62.100 0.436 0.000 1.067 367 T CB 0.716 69.973 68.868 0.648 0.000 1.235 367 T HN 0.359 nan 8.240 nan 0.000 0.479 368 H N 2.497 121.885 119.070 0.530 0.000 2.539 368 H HA 0.264 4.832 4.556 0.020 0.000 0.269 368 H C 1.514 176.987 175.328 0.242 0.000 0.980 368 H CA 0.199 56.461 56.048 0.357 0.000 1.152 368 H CB 0.215 30.031 29.762 0.091 0.000 1.407 368 H HN 0.608 nan 8.280 nan 0.000 0.564 369 W N 2.185 123.543 121.300 0.097 0.000 2.290 369 W HA -0.319 4.353 4.660 0.020 0.000 0.311 369 W C 1.575 178.099 176.519 0.009 0.000 1.238 369 W CA 2.164 59.482 57.345 -0.045 0.000 1.255 369 W CB -0.273 29.263 29.460 0.126 0.000 1.145 369 W HN 0.384 nan 8.180 nan 0.000 0.506 370 I N -1.994 118.443 120.570 -0.222 0.000 2.399 370 I HA -0.271 3.912 4.170 0.020 0.000 0.254 370 I C 1.945 178.059 176.117 -0.006 0.000 1.146 370 I CA 1.933 62.986 61.300 -0.410 0.000 1.412 370 I CB -1.447 36.056 38.000 -0.828 0.000 1.076 370 I HN -0.062 nan 8.210 nan 0.000 0.432 371 W N 1.114 122.478 121.300 0.106 0.000 2.436 371 W HA -0.051 4.620 4.660 0.020 0.000 0.284 371 W C 2.425 178.870 176.519 -0.123 0.000 1.225 371 W CA 0.588 57.946 57.345 0.021 0.000 1.271 371 W CB -0.346 29.047 29.460 -0.111 0.000 1.114 371 W HN 0.165 nan 8.180 nan 0.000 0.559 372 Q N -0.257 119.475 119.800 -0.113 0.000 2.378 372 Q HA 0.039 4.391 4.340 0.020 0.000 0.216 372 Q C 0.970 176.704 176.000 -0.443 0.000 0.892 372 Q CA 0.335 56.008 55.803 -0.218 0.000 0.931 372 Q CB -0.109 28.477 28.738 -0.254 0.000 1.086 372 Q HN -0.029 nan 8.270 nan 0.000 0.528 373 E N -0.266 119.463 120.200 -0.786 0.000 2.437 373 E HA 0.112 4.474 4.350 0.020 0.000 0.263 373 E C 0.799 177.315 176.600 -0.139 0.000 1.030 373 E CA 1.280 57.246 56.400 -0.723 0.000 0.934 373 E CB 0.386 29.658 29.700 -0.713 0.000 0.943 373 E HN 0.340 nan 8.360 nan 0.000 0.444 374 G N 4.395 113.190 108.800 -0.008 0.000 3.586 374 G HA2 -0.334 3.639 3.960 0.020 0.000 0.212 374 G HA3 -0.334 3.639 3.960 0.020 0.000 0.212 374 G C 0.566 175.403 174.900 -0.106 0.000 1.411 374 G CA 0.462 45.526 45.100 -0.060 0.000 0.898 374 G HN 0.632 nan 8.290 nan 0.000 0.575 375 N N 1.396 120.011 118.700 -0.143 0.000 2.204 375 N HA 0.301 5.053 4.740 0.020 0.000 0.219 375 N C 0.327 175.879 175.510 0.070 0.000 1.151 375 N CA 0.372 53.388 53.050 -0.057 0.000 0.867 375 N CB 0.455 38.868 38.487 -0.124 0.000 1.043 375 N HN 0.709 nan 8.380 nan 0.000 0.516 376 Q N 0.486 120.372 119.800 0.144 0.000 2.379 376 Q HA 0.569 4.921 4.340 0.020 0.000 0.278 376 Q C -1.059 175.213 176.000 0.453 0.000 1.068 376 Q CA -0.908 55.083 55.803 0.313 0.000 0.816 376 Q CB 3.136 32.106 28.738 0.387 0.000 1.387 376 Q HN 0.419 nan 8.270 nan 0.000 0.413 377 R N 0.585 121.370 120.500 0.475 0.000 3.197 377 R HA 0.246 4.598 4.340 0.020 0.000 0.261 377 R C -1.389 175.035 176.300 0.206 0.000 1.015 377 R CA -0.691 55.687 56.100 0.464 0.000 0.949 377 R CB 0.069 30.598 30.300 0.381 0.000 1.256 377 R HN 0.644 nan 8.270 nan 0.000 0.514 378 L N 0.485 121.766 121.223 0.096 0.000 2.731 378 L HA 0.238 4.590 4.340 0.020 0.000 0.240 378 L C 0.517 177.376 176.870 -0.020 0.000 1.120 378 L CA 0.338 55.136 54.840 -0.070 0.000 0.913 378 L CB 0.971 42.883 42.059 -0.245 0.000 1.213 378 L HN 0.896 nan 8.230 nan 0.000 0.515 379 T N -4.434 110.138 114.554 0.030 0.000 2.942 379 T HA 0.332 4.694 4.350 0.020 0.000 0.289 379 T C 0.861 175.597 174.700 0.060 0.000 1.044 379 T CA -0.842 61.271 62.100 0.021 0.000 1.023 379 T CB 2.093 70.955 68.868 -0.010 0.000 1.123 379 T HN -0.075 nan 8.240 nan 0.000 0.512 380 K N 0.484 120.916 120.400 0.053 0.000 2.097 380 K HA 0.014 4.346 4.320 0.020 0.000 0.205 380 K C 0.284 176.940 176.600 0.094 0.000 1.050 380 K CA 1.159 57.486 56.287 0.067 0.000 0.938 380 K CB 0.019 32.549 32.500 0.051 0.000 0.718 380 K HN 0.704 nan 8.250 nan 0.000 0.442 381 E N 1.337 121.602 120.200 0.109 0.000 2.731 381 E HA 0.225 4.588 4.350 0.020 0.000 0.248 381 E C -2.680 174.035 176.600 0.191 0.000 1.084 381 E CA -1.839 54.646 56.400 0.142 0.000 0.776 381 E CB 1.536 31.311 29.700 0.125 0.000 1.404 381 E HN -0.002 nan 8.360 nan 0.000 0.395 382 P HA -0.079 nan 4.420 nan 0.000 0.265 382 P C -0.315 177.169 177.300 0.307 0.000 1.187 382 P CA 0.553 63.764 63.100 0.185 0.000 0.766 382 P CB 0.327 32.218 31.700 0.318 0.000 0.820 383 F N 1.168 121.092 119.950 -0.042 0.000 2.553 383 F HA 0.033 4.572 4.527 0.020 0.000 0.356 383 F C 1.507 177.349 175.800 0.069 0.000 1.142 383 F CA -0.092 57.892 58.000 -0.026 0.000 1.322 383 F CB 0.504 39.439 39.000 -0.109 0.000 1.126 383 F HN 0.251 nan 8.300 nan 0.000 0.599 384 E N 2.404 122.757 120.200 0.255 0.000 2.207 384 E HA 0.441 4.803 4.350 0.020 0.000 0.270 384 E C -1.011 175.703 176.600 0.190 0.000 0.927 384 E CA -0.897 55.652 56.400 0.249 0.000 0.799 384 E CB 2.612 32.420 29.700 0.180 0.000 1.172 384 E HN 0.403 nan 8.360 nan 0.000 0.404 385 I N 2.613 123.323 120.570 0.232 0.000 2.307 385 I HA 0.229 4.411 4.170 0.020 0.000 0.289 385 I C -0.355 175.781 176.117 0.032 0.000 1.021 385 I CA -0.240 61.136 61.300 0.127 0.000 1.224 385 I CB 0.534 38.602 38.000 0.113 0.000 1.376 385 I HN 0.167 nan 8.210 nan 0.000 0.470 386 K N 4.505 124.882 120.400 -0.038 0.000 2.463 386 K HA 0.534 4.866 4.320 0.020 0.000 0.255 386 K C 0.445 176.971 176.600 -0.124 0.000 0.942 386 K CA -0.681 55.548 56.287 -0.096 0.000 0.814 386 K CB 2.015 34.476 32.500 -0.065 0.000 1.122 386 K HN 0.796 nan 8.250 nan 0.000 0.425 387 G N 1.695 110.383 108.800 -0.186 0.000 2.198 387 G HA2 -0.255 3.717 3.960 0.020 0.000 0.260 387 G HA3 -0.255 3.717 3.960 0.020 0.000 0.260 387 G C 0.744 175.551 174.900 -0.154 0.000 1.025 387 G CA 0.625 45.632 45.100 -0.156 0.000 0.769 387 G HN 1.169 nan 8.290 nan 0.000 0.507 388 G N -2.179 106.455 108.800 -0.277 0.000 2.168 388 G HA2 -0.174 3.798 3.960 0.020 0.000 0.263 388 G HA3 -0.174 3.798 3.960 0.020 0.000 0.263 388 G C 0.268 175.142 174.900 -0.043 0.000 0.977 388 G CA 0.903 45.866 45.100 -0.229 0.000 0.659 388 G HN 1.461 nan 8.290 nan 0.000 0.533 389 L N -0.323 120.871 121.223 -0.048 0.000 2.342 389 L HA 0.787 5.139 4.340 0.020 0.000 0.271 389 L C -0.020 176.859 176.870 0.014 0.000 1.008 389 L CA -1.377 53.464 54.840 0.001 0.000 0.818 389 L CB 2.444 44.495 42.059 -0.013 0.000 1.296 389 L HN -0.080 nan 8.230 nan 0.000 0.427 390 V N 1.856 121.790 119.914 0.033 0.000 2.444 390 V HA 0.309 4.441 4.120 0.020 0.000 0.294 390 V C -0.395 175.670 176.094 -0.049 0.000 1.022 390 V CA -0.886 61.428 62.300 0.023 0.000 0.850 390 V CB 1.568 33.451 31.823 0.099 0.000 0.992 390 V HN 0.619 nan 8.190 nan 0.000 0.426 391 Q N 3.042 122.772 119.800 -0.116 0.000 2.297 391 Q HA 0.272 4.624 4.340 0.020 0.000 0.267 391 Q C -0.283 175.544 176.000 -0.288 0.000 1.006 391 Q CA -0.119 55.580 55.803 -0.173 0.000 0.896 391 Q CB 1.624 30.256 28.738 -0.177 0.000 1.186 391 Q HN 0.550 nan 8.270 nan 0.000 0.392 392 V N 6.248 126.019 119.914 -0.237 0.000 2.427 392 V HA 0.151 4.283 4.120 0.020 0.000 0.268 392 V C -1.839 174.083 176.094 -0.285 0.000 1.046 392 V CA -1.431 60.679 62.300 -0.317 0.000 0.970 392 V CB 0.552 32.235 31.823 -0.233 0.000 1.001 392 V HN 0.643 nan 8.190 nan 0.000 0.476 393 P HA 0.158 nan 4.420 nan 0.000 0.268 393 P C 0.501 177.774 177.300 -0.046 0.000 1.205 393 P CA -0.128 62.855 63.100 -0.195 0.000 0.771 393 P CB 0.999 32.589 31.700 -0.183 0.000 0.858 394 E N 1.298 121.472 120.200 -0.044 0.000 2.299 394 E HA -0.047 4.316 4.350 0.020 0.000 0.193 394 E C 0.372 176.973 176.600 0.003 0.000 0.998 394 E CA 0.535 56.926 56.400 -0.015 0.000 0.851 394 E CB 0.038 29.721 29.700 -0.028 0.000 0.795 394 E HN 0.601 nan 8.360 nan 0.000 0.492 395 K N 2.167 122.568 120.400 0.001 0.000 2.380 395 K HA 0.122 4.455 4.320 0.020 0.000 0.267 395 K C -2.479 174.122 176.600 0.001 0.000 0.990 395 K CA -1.439 54.846 56.287 -0.002 0.000 0.946 395 K CB -0.543 31.954 32.500 -0.005 0.000 0.937 395 K HN -0.234 nan 8.250 nan 0.000 0.491 396 P HA -0.008 nan 4.420 nan 0.000 0.269 396 P C 0.677 177.930 177.300 -0.078 0.000 1.215 396 P CA 0.745 63.811 63.100 -0.057 0.000 0.780 396 P CB 0.520 32.175 31.700 -0.075 0.000 0.898 397 G N 0.955 109.689 108.800 -0.110 0.000 2.552 397 G HA2 -0.300 3.672 3.960 0.020 0.000 0.265 397 G HA3 -0.300 3.672 3.960 0.020 0.000 0.265 397 G C 0.683 175.442 174.900 -0.235 0.000 1.234 397 G CA 0.136 45.147 45.100 -0.149 0.000 0.944 397 G HN 0.487 nan 8.290 nan 0.000 0.568 398 L N 1.841 122.948 121.223 -0.192 0.000 2.395 398 L HA 0.332 4.684 4.340 0.020 0.000 0.218 398 L C 2.401 179.356 176.870 0.142 0.000 1.130 398 L CA 1.219 55.938 54.840 -0.202 0.000 0.826 398 L CB -0.444 41.554 42.059 -0.101 0.000 0.941 398 L HN 2.113 nan 8.230 nan 0.000 0.451 399 G N 0.775 109.638 108.800 0.105 0.000 2.147 399 G HA2 -0.229 3.743 3.960 0.020 0.000 0.244 399 G HA3 -0.229 3.743 3.960 0.020 0.000 0.244 399 G C 0.095 175.153 174.900 0.264 0.000 1.005 399 G CA 0.275 45.502 45.100 0.211 0.000 0.713 399 G HN 0.309 nan 8.290 nan 0.000 0.515 400 V N -3.900 116.090 119.914 0.128 0.000 3.001 400 V HA 0.936 5.068 4.120 0.020 0.000 0.314 400 V C -0.395 175.715 176.094 0.027 0.000 1.099 400 V CA -1.372 60.974 62.300 0.076 0.000 0.989 400 V CB 2.284 34.086 31.823 -0.036 0.000 1.040 400 V HN 0.219 nan 8.190 nan 0.000 0.434 401 E N 2.442 122.656 120.200 0.025 0.000 2.220 401 E HA 0.462 4.824 4.350 0.020 0.000 0.256 401 E C -0.792 175.808 176.600 0.000 0.000 0.881 401 E CA -0.623 55.783 56.400 0.010 0.000 0.766 401 E CB 2.394 32.106 29.700 0.019 0.000 1.187 401 E HN 0.819 nan 8.360 nan 0.000 0.419 402 I N 2.460 123.021 120.570 -0.014 0.000 2.752 402 I HA -0.054 4.129 4.170 0.020 0.000 0.287 402 I C -0.064 176.044 176.117 -0.015 0.000 1.188 402 I CA 0.552 61.837 61.300 -0.024 0.000 1.427 402 I CB 0.467 38.445 38.000 -0.037 0.000 1.365 402 I HN 0.446 nan 8.210 nan 0.000 0.585 403 D N 7.997 128.387 120.400 -0.017 0.000 2.473 403 D HA 0.110 4.762 4.640 0.020 0.000 0.226 403 D C 0.799 177.086 176.300 -0.022 0.000 1.089 403 D CA -0.465 53.531 54.000 -0.007 0.000 0.883 403 D CB 1.131 41.937 40.800 0.011 0.000 1.029 403 D HN 0.473 nan 8.370 nan 0.000 0.517 404 M N 2.267 121.854 119.600 -0.022 0.000 2.202 404 M HA -0.127 4.365 4.480 0.020 0.000 0.262 404 M C 1.433 177.719 176.300 -0.024 0.000 1.063 404 M CA 1.139 56.420 55.300 -0.031 0.000 1.097 404 M CB -0.800 31.783 32.600 -0.029 0.000 1.382 404 M HN 0.424 nan 8.290 nan 0.000 0.413 405 D N -0.246 120.148 120.400 -0.010 0.000 2.084 405 D HA -0.173 4.479 4.640 0.020 0.000 0.194 405 D C 2.006 178.306 176.300 -0.000 0.000 0.990 405 D CA 1.250 55.250 54.000 0.000 0.000 0.826 405 D CB 0.169 40.975 40.800 0.010 0.000 0.971 405 D HN 0.213 nan 8.370 nan 0.000 0.453 406 Q N 0.087 119.885 119.800 -0.002 0.000 2.061 406 Q HA -0.120 4.233 4.340 0.020 0.000 0.204 406 Q C 2.538 178.510 176.000 -0.046 0.000 0.984 406 Q CA 0.866 56.666 55.803 -0.005 0.000 0.846 406 Q CB -0.672 28.065 28.738 -0.001 0.000 0.902 406 Q HN 0.306 nan 8.270 nan 0.000 0.421 407 V N 1.225 121.094 119.914 -0.075 0.000 2.255 407 V HA -0.305 3.828 4.120 0.020 0.000 0.247 407 V C 2.393 178.458 176.094 -0.048 0.000 1.051 407 V CA 1.808 64.042 62.300 -0.110 0.000 1.018 407 V CB -0.565 31.189 31.823 -0.114 0.000 0.641 407 V HN 0.344 nan 8.190 nan 0.000 0.445 408 M N -0.505 119.085 119.600 -0.017 0.000 2.159 408 M HA -0.175 4.317 4.480 0.020 0.000 0.263 408 M C 2.097 178.431 176.300 0.057 0.000 1.063 408 M CA 1.607 56.930 55.300 0.038 0.000 1.110 408 M CB -1.299 31.314 32.600 0.022 0.000 1.374 408 M HN 0.317 nan 8.290 nan 0.000 0.411 409 K N 0.051 120.467 120.400 0.027 0.000 2.097 409 K HA -0.062 4.270 4.320 0.020 0.000 0.206 409 K C 2.102 178.719 176.600 0.030 0.000 1.049 409 K CA 1.461 57.768 56.287 0.034 0.000 0.933 409 K CB -0.168 32.358 32.500 0.043 0.000 0.717 409 K HN 0.320 nan 8.250 nan 0.000 0.442 410 A N 0.463 123.285 122.820 0.004 0.000 1.929 410 A HA -0.190 4.142 4.320 0.020 0.000 0.216 410 A C 1.900 179.484 177.584 0.000 0.000 1.176 410 A CA 1.616 53.639 52.037 -0.024 0.000 0.628 410 A CB -0.672 18.236 19.000 -0.153 0.000 0.816 410 A HN 0.369 nan 8.150 nan 0.000 0.444 411 H N 0.038 119.056 119.070 -0.087 0.000 2.321 411 H HA -0.062 4.506 4.556 0.020 0.000 0.300 411 H C 2.192 177.519 175.328 -0.002 0.000 1.087 411 H CA 3.028 59.029 56.048 -0.077 0.000 1.319 411 H CB -0.365 29.343 29.762 -0.090 0.000 1.379 411 H HN 0.468 nan 8.280 nan 0.000 0.501 412 E N 0.759 120.891 120.200 -0.113 0.000 2.160 412 E HA -0.121 4.242 4.350 0.020 0.000 0.195 412 E C 2.255 178.773 176.600 -0.136 0.000 0.991 412 E CA 1.281 57.595 56.400 -0.143 0.000 0.810 412 E CB -0.990 28.683 29.700 -0.046 0.000 0.742 412 E HN 0.511 nan 8.360 nan 0.000 0.466 413 L N -1.172 120.004 121.223 -0.079 0.000 2.109 413 L HA 0.028 4.380 4.340 0.020 0.000 0.207 413 L C 2.483 179.289 176.870 -0.107 0.000 1.086 413 L CA 1.972 56.769 54.840 -0.071 0.000 0.760 413 L CB -0.381 41.636 42.059 -0.070 0.000 0.910 413 L HN 0.506 nan 8.230 nan 0.000 0.437 414 Y N -0.588 119.561 120.300 -0.253 0.000 2.200 414 Y HA -0.235 4.327 4.550 0.020 0.000 0.290 414 Y C 2.480 178.226 175.900 -0.256 0.000 1.137 414 Y CA 1.746 59.696 58.100 -0.250 0.000 1.163 414 Y CB 0.045 38.379 38.460 -0.209 0.000 0.988 414 Y HN 0.256 nan 8.280 nan 0.000 0.518 415 Q N 0.709 120.429 119.800 -0.134 0.000 2.083 415 Q HA -0.184 4.168 4.340 0.020 0.000 0.198 415 Q C 2.260 178.105 176.000 -0.259 0.000 0.969 415 Q CA 1.623 57.306 55.803 -0.201 0.000 0.838 415 Q CB -0.449 28.138 28.738 -0.251 0.000 0.900 415 Q HN 0.512 nan 8.270 nan 0.000 0.436 416 K N 0.318 120.536 120.400 -0.303 0.000 2.032 416 K HA -0.169 4.163 4.320 0.020 0.000 0.209 416 K C 1.415 177.679 176.600 -0.560 0.000 1.048 416 K CA 1.296 57.322 56.287 -0.436 0.000 0.927 416 K CB -0.038 32.119 32.500 -0.572 0.000 0.712 416 K HN 0.351 nan 8.250 nan 0.000 0.441 417 H N -0.911 117.954 119.070 -0.343 0.000 2.539 417 H HA 0.104 4.672 4.556 0.020 0.000 0.267 417 H C 0.674 175.809 175.328 -0.321 0.000 0.982 417 H CA 0.592 56.427 56.048 -0.355 0.000 1.146 417 H CB 0.359 29.784 29.762 -0.562 0.000 1.382 417 H HN 0.519 nan 8.280 nan 0.000 0.577 418 G N 2.096 110.723 108.800 -0.289 0.000 2.393 418 G HA2 -0.287 3.686 3.960 0.020 0.000 0.299 418 G HA3 -0.287 3.686 3.960 0.020 0.000 0.299 418 G C 0.279 174.954 174.900 -0.375 0.000 0.990 418 G CA 0.152 45.071 45.100 -0.302 0.000 1.118 418 G HN 0.282 nan 8.290 nan 0.000 0.513 419 L N -0.887 119.959 121.223 -0.630 0.000 2.479 419 L HA 0.699 5.051 4.340 0.020 0.000 0.248 419 L C 1.426 177.912 176.870 -0.640 0.000 1.205 419 L CA 0.314 54.795 54.840 -0.599 0.000 0.817 419 L CB 0.871 42.572 42.059 -0.596 0.000 1.162 419 L HN 0.494 nan 8.230 nan 0.000 0.486 420 G N -0.969 107.670 108.800 -0.268 0.000 2.704 420 G HA2 0.480 4.452 3.960 0.020 0.000 0.118 420 G HA3 0.480 4.452 3.960 0.020 0.000 0.118 420 G C -1.388 173.537 174.900 0.042 0.000 1.197 420 G CA 0.099 45.175 45.100 -0.041 0.000 1.152 420 G HN 0.769 nan 8.290 nan 0.000 0.571 421 A N 0.075 122.917 122.820 0.037 0.000 2.425 421 A HA 0.613 4.945 4.320 0.020 0.000 0.242 421 A C 0.804 178.378 177.584 -0.015 0.000 1.077 421 A CA 0.069 52.127 52.037 0.035 0.000 0.781 421 A CB 0.138 19.177 19.000 0.066 0.000 1.020 421 A HN 0.773 nan 8.150 nan 0.000 0.494 422 R N 0.754 121.203 120.500 -0.084 0.000 2.522 422 R HA 0.124 4.476 4.340 0.020 0.000 0.284 422 R C -1.264 174.966 176.300 -0.117 0.000 1.032 422 R CA 0.351 56.317 56.100 -0.223 0.000 1.049 422 R CB 0.232 30.163 30.300 -0.614 0.000 0.956 422 R HN 0.712 nan 8.270 nan 0.000 0.422 423 D N 2.952 123.299 120.400 -0.088 0.000 2.476 423 D HA 0.151 4.803 4.640 0.020 0.000 0.251 423 D C -0.833 175.467 176.300 -0.001 0.000 1.291 423 D CA -0.564 53.440 54.000 0.006 0.000 0.939 423 D CB 1.463 42.284 40.800 0.035 0.000 1.221 423 D HN 0.474 nan 8.370 nan 0.000 0.567 424 D N 2.035 122.459 120.400 0.039 0.000 2.350 424 D HA 0.155 4.807 4.640 0.020 0.000 0.213 424 D C 1.769 178.098 176.300 0.049 0.000 1.031 424 D CA 0.361 54.383 54.000 0.036 0.000 0.861 424 D CB 0.523 41.370 40.800 0.078 0.000 0.926 424 D HN 0.471 nan 8.370 nan 0.000 0.520 425 A N 0.827 123.742 122.820 0.160 0.000 1.968 425 A HA -0.113 4.219 4.320 0.020 0.000 0.217 425 A C 2.041 179.696 177.584 0.119 0.000 1.169 425 A CA 0.728 52.929 52.037 0.272 0.000 0.638 425 A CB -0.395 18.840 19.000 0.393 0.000 0.812 425 A HN 0.137 nan 8.150 nan 0.000 0.446 426 M N 0.342 119.987 119.600 0.075 0.000 2.163 426 M HA -0.200 4.292 4.480 0.020 0.000 0.258 426 M C 2.117 178.438 176.300 0.035 0.000 1.071 426 M CA 2.446 57.770 55.300 0.039 0.000 1.093 426 M CB -1.471 31.162 32.600 0.054 0.000 1.285 426 M HN 0.387 nan 8.290 nan 0.000 0.420 427 G N 0.312 109.162 108.800 0.083 0.000 2.450 427 G HA2 -0.235 3.737 3.960 0.020 0.000 0.220 427 G HA3 -0.235 3.737 3.960 0.020 0.000 0.220 427 G C 1.373 176.306 174.900 0.056 0.000 1.130 427 G CA 0.916 46.118 45.100 0.170 0.000 0.760 427 G HN 0.451 nan 8.290 nan 0.000 0.557 428 M N 0.358 119.880 119.600 -0.130 0.000 2.374 428 M HA -0.009 4.483 4.480 0.020 0.000 0.264 428 M C 2.463 178.688 176.300 -0.125 0.000 1.067 428 M CA 0.703 55.831 55.300 -0.287 0.000 1.103 428 M CB -0.772 31.349 32.600 -0.800 0.000 1.402 428 M HN 0.183 nan 8.290 nan 0.000 0.444 429 Q N -0.514 119.207 119.800 -0.132 0.000 2.170 429 Q HA -0.129 4.223 4.340 0.020 0.000 0.203 429 Q C 1.806 177.663 176.000 -0.239 0.000 0.976 429 Q CA 1.630 57.310 55.803 -0.205 0.000 0.858 429 Q CB -0.803 27.750 28.738 -0.308 0.000 0.907 429 Q HN 0.619 nan 8.270 nan 0.000 0.433 430 Y N -0.386 119.925 120.300 0.018 0.000 2.457 430 Y HA -0.001 4.562 4.550 0.020 0.000 0.292 430 Y C 2.109 178.009 175.900 0.001 0.000 1.125 430 Y CA 0.325 58.434 58.100 0.015 0.000 1.254 430 Y CB 0.091 38.562 38.460 0.018 0.000 1.012 430 Y HN -0.002 nan 8.280 nan 0.000 0.555 431 L N -0.724 120.548 121.223 0.082 0.000 2.200 431 L HA 0.141 4.493 4.340 0.020 0.000 0.200 431 L C 0.216 177.104 176.870 0.030 0.000 1.072 431 L CA 0.840 55.697 54.840 0.029 0.000 0.787 431 L CB 0.199 42.230 42.059 -0.047 0.000 0.957 431 L HN 0.039 nan 8.230 nan 0.000 0.459 432 I N 0.671 121.262 120.570 0.036 0.000 2.560 432 I HA 0.242 4.425 4.170 0.020 0.000 0.278 432 I C -2.498 173.692 176.117 0.122 0.000 1.089 432 I CA -1.809 59.550 61.300 0.098 0.000 1.086 432 I CB 1.796 39.901 38.000 0.176 0.000 1.202 432 I HN -0.216 nan 8.210 nan 0.000 0.471 433 P HA 0.037 nan 4.420 nan 0.000 0.262 433 P C 1.036 178.385 177.300 0.082 0.000 1.182 433 P CA 0.935 64.064 63.100 0.049 0.000 0.761 433 P CB 0.583 32.299 31.700 0.027 0.000 0.795 434 G N 1.604 110.453 108.800 0.082 0.000 2.159 434 G HA2 -0.259 3.713 3.960 0.020 0.000 0.256 434 G HA3 -0.259 3.713 3.960 0.020 0.000 0.256 434 G C -0.033 174.946 174.900 0.132 0.000 0.977 434 G CA -0.305 44.843 45.100 0.080 0.000 0.652 434 G HN 0.561 nan 8.290 nan 0.000 0.531 435 W N 2.411 123.709 121.300 -0.003 0.000 2.293 435 W HA 0.415 5.087 4.660 0.020 0.000 0.342 435 W C 0.917 177.459 176.519 0.038 0.000 1.274 435 W CA 1.416 58.773 57.345 0.019 0.000 1.290 435 W CB 0.575 30.051 29.460 0.028 0.000 1.176 435 W HN 0.633 nan 8.180 nan 0.000 0.570 436 T N 4.117 118.180 114.554 -0.817 0.000 2.912 436 T HA 0.369 4.731 4.350 0.020 0.000 0.299 436 T C -0.901 172.892 174.700 -1.510 0.000 1.052 436 T CA -1.023 60.589 62.100 -0.814 0.000 0.996 436 T CB 1.135 69.796 68.868 -0.345 0.000 1.070 436 T HN 0.413 nan 8.240 nan 0.000 0.465 437 F N 2.382 121.662 119.950 -1.116 0.000 2.572 437 F HA 0.448 4.987 4.527 0.019 0.000 0.370 437 F C 0.090 175.651 175.800 -0.397 0.000 1.103 437 F CA 0.007 57.593 58.000 -0.690 0.000 1.286 437 F CB 0.462 39.390 39.000 -0.121 0.000 1.105 437 F HN 0.704 nan 8.300 nan 0.000 0.583 438 D N 5.546 125.305 120.400 -1.069 0.000 2.476 438 D HA 0.082 4.734 4.640 0.020 0.000 0.251 438 D C 0.424 176.134 176.300 -0.984 0.000 1.291 438 D CA -0.463 53.034 54.000 -0.839 0.000 0.939 438 D CB 0.432 40.965 40.800 -0.444 0.000 1.221 438 D HN 0.653 nan 8.370 nan 0.000 0.567 439 N N 2.962 121.037 118.700 -1.041 0.000 2.635 439 N HA -0.157 4.595 4.740 0.020 0.000 0.191 439 N C 0.060 175.424 175.510 -0.242 0.000 1.155 439 N CA 0.652 53.366 53.050 -0.560 0.000 0.927 439 N CB 0.174 38.564 38.487 -0.161 0.000 0.976 439 N HN 0.233 nan 8.380 nan 0.000 0.448 440 K N 0.054 120.317 120.400 -0.229 0.000 2.826 440 K HA 0.224 4.556 4.320 0.020 0.000 0.206 440 K C -0.626 175.941 176.600 -0.054 0.000 1.116 440 K CA -0.191 56.039 56.287 -0.094 0.000 1.045 440 K CB 1.051 33.513 32.500 -0.063 0.000 0.758 440 K HN 0.221 nan 8.250 nan 0.000 0.465 441 R N 1.414 121.872 120.500 -0.071 0.000 2.658 441 R HA 0.197 4.549 4.340 0.020 0.000 0.287 441 R C -2.982 173.351 176.300 0.056 0.000 1.209 441 R CA -1.273 54.827 56.100 0.001 0.000 1.046 441 R CB 1.445 31.720 30.300 -0.041 0.000 1.247 441 R HN -0.151 nan 8.270 nan 0.000 0.405 442 P HA -0.121 nan 4.420 nan 0.000 0.261 442 P C 1.220 178.633 177.300 0.188 0.000 1.165 442 P CA -0.028 63.162 63.100 0.150 0.000 0.759 442 P CB 0.319 32.114 31.700 0.158 0.000 0.772 443 C N 3.429 122.878 119.300 0.249 0.000 2.396 443 C HA -0.189 4.283 4.460 0.020 0.000 0.277 443 C C 1.990 177.159 174.990 0.299 0.000 1.231 443 C CA 1.079 60.325 59.018 0.380 0.000 1.775 443 C CB -1.580 26.314 27.740 0.257 0.000 2.036 443 C HN 0.425 nan 8.230 nan 0.000 0.484 444 M N 0.871 120.551 119.600 0.132 0.000 2.509 444 M HA 0.248 4.740 4.480 0.020 0.000 0.250 444 M C 0.616 176.978 176.300 0.104 0.000 1.132 444 M CA 0.394 55.743 55.300 0.081 0.000 1.080 444 M CB -0.475 32.116 32.600 -0.016 0.000 1.408 444 M HN 0.243 nan 8.290 nan 0.000 0.484 445 V N 3.038 123.021 119.914 0.114 0.000 2.372 445 V HA 0.244 4.376 4.120 0.020 0.000 0.261 445 V C 0.442 176.592 176.094 0.092 0.000 1.055 445 V CA -0.201 62.148 62.300 0.081 0.000 0.930 445 V CB 0.139 32.002 31.823 0.067 0.000 1.031 445 V HN 0.240 nan 8.190 nan 0.000 0.479 446 R N 0.000 120.546 120.500 0.077 0.000 2.786 446 R HA 0.000 4.352 4.340 0.020 0.000 0.208 446 R CA 0.000 56.136 56.100 0.061 0.000 0.921 446 R CB 0.000 30.363 30.300 0.105 0.000 0.687 446 R HN 0.000 nan 8.270 nan 0.000 0.535