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 1mmo_1_C DATA FIRST_RESID 6 DATA SEQUENCE ERRRGLTDPE MAAVILKALP EAPLDGNNKM GYFVTPRWKR LTEYEALTVY DATA SEQUENCE AQPNADWIAG GLDWGDWTQK FHGGRPSWGN ETTELRTVDW FKHRDPLRRW DATA SEQUENCE HAPYVKDKAE EWRYTDRFLQ GYSADGQIRA MNPTWRTSSC NRYWGAFLFN DATA SEQUENCE EYGLFNAHSQ GAREALSDVT RVSLAFWGFD KIDIAQMIQL ERGFLAKIVP DATA SEQUENCE GFDESTAVPK AEWTNGEVYK SARLAVEGLW QEVFDWNESA FSVHAVYDAL DATA SEQUENCE FGQFVRREFF QRLAPRFGDN LTPFFINQAQ TYFQIAKQGV QDLYYNCLGD DATA SEQUENCE DPEFSDYNRT VMRNWTGKWL EPTIAALRDF MGLFAKLPAG TTDKEEITAS DATA SEQUENCE LYRVVDDWIE DYASAIDFKA DRDQIVKAVL AGLK 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.603 176.600 0.004 0.000 1.382 6 E CA 0.000 56.403 56.400 0.004 0.000 0.976 6 E CB 0.000 29.703 29.700 0.004 0.000 0.812 7 R N 2.149 122.651 120.500 0.005 0.000 2.599 7 R HA 0.354 nan 4.340 nan 0.000 0.295 7 R C -1.199 175.104 176.300 0.005 0.000 0.963 7 R CA -0.571 55.532 56.100 0.005 0.000 0.883 7 R CB 1.555 31.858 30.300 0.005 0.000 1.171 7 R HN 0.232 8.505 8.270 0.005 0.000 0.450 8 R N 4.069 124.571 120.500 0.005 0.000 2.308 8 R HA 0.196 nan 4.340 nan 0.000 0.305 8 R C -0.265 176.038 176.300 0.005 0.000 1.053 8 R CA -0.651 55.452 56.100 0.005 0.000 0.957 8 R CB 0.572 30.875 30.300 0.004 0.000 1.022 8 R HN 0.335 8.608 8.270 0.004 0.000 0.461 9 R N 2.987 123.490 120.500 0.005 0.000 2.460 9 R HA 0.205 nan 4.340 nan 0.000 0.303 9 R C 0.616 176.919 176.300 0.006 0.000 0.968 9 R CA -0.882 55.221 56.100 0.006 0.000 0.889 9 R CB 1.816 32.120 30.300 0.006 0.000 1.123 9 R HN 0.501 8.774 8.270 0.005 0.000 0.455 10 G N 3.075 111.878 108.800 0.006 0.000 2.448 10 G HA2 -0.230 nan 3.960 nan 0.000 0.219 10 G HA3 -0.230 nan 3.960 nan 0.000 0.219 10 G C -0.102 174.801 174.900 0.006 0.000 1.127 10 G CA 1.492 46.595 45.100 0.005 0.000 0.766 10 G HN 0.575 8.868 8.290 0.006 0.000 0.552 11 L N -1.775 119.452 121.223 0.006 0.000 2.240 11 L HA 0.086 nan 4.340 nan 0.000 0.211 11 L C 0.820 177.694 176.870 0.006 0.000 1.106 11 L CA 0.775 55.618 54.840 0.007 0.000 0.793 11 L CB 0.320 42.383 42.059 0.008 0.000 0.927 11 L HN -0.442 7.776 8.230 0.007 0.016 0.446 12 T N -8.449 106.109 114.554 0.006 0.000 2.975 12 T HA 0.104 nan 4.350 nan 0.000 0.257 12 T C 0.283 174.987 174.700 0.005 0.000 1.003 12 T CA -0.417 61.686 62.100 0.006 0.000 0.932 12 T CB 1.095 69.967 68.868 0.006 0.000 1.087 12 T HN -0.601 7.642 8.240 0.006 0.000 0.512 13 D N 3.902 124.305 120.400 0.005 0.000 2.317 13 D HA 0.383 nan 4.640 nan 0.000 0.252 13 D C -1.164 175.138 176.300 0.004 0.000 1.174 13 D CA -2.473 51.529 54.000 0.004 0.000 0.866 13 D CB 1.890 42.692 40.800 0.004 0.000 1.127 13 D HN -0.462 7.911 8.370 0.005 0.000 0.467 14 P HA -0.232 nan 4.420 nan 0.000 0.215 14 P C 1.437 178.739 177.300 0.003 0.000 1.153 14 P CA 2.394 65.497 63.100 0.004 0.000 0.853 14 P CB 0.252 31.954 31.700 0.003 0.000 0.788 15 E N -2.115 118.087 120.200 0.003 0.000 2.047 15 E HA -0.270 nan 4.350 nan 0.000 0.191 15 E C 2.442 179.044 176.600 0.003 0.000 0.987 15 E CA 3.055 59.457 56.400 0.003 0.000 0.799 15 E CB -0.521 29.181 29.700 0.003 0.000 0.752 15 E HN -0.148 8.288 8.360 0.003 -0.073 0.449 16 M N -0.646 118.956 119.600 0.003 0.000 2.132 16 M HA -0.324 nan 4.480 nan 0.000 0.263 16 M C 2.155 178.457 176.300 0.004 0.000 1.065 16 M CA 3.653 58.955 55.300 0.004 0.000 1.122 16 M CB 0.203 32.805 32.600 0.004 0.000 1.365 16 M HN -0.435 8.126 8.290 0.004 -0.269 0.411 17 A N -1.378 121.444 122.820 0.004 0.000 1.933 17 A HA -0.334 nan 4.320 nan 0.000 0.218 17 A C 1.531 179.117 177.584 0.004 0.000 1.175 17 A CA 3.153 55.193 52.037 0.004 0.000 0.628 17 A CB -1.087 17.915 19.000 0.004 0.000 0.814 17 A HN 0.541 8.694 8.150 0.004 0.000 0.444 18 A N -2.136 120.686 122.820 0.003 0.000 1.902 18 A HA -0.299 nan 4.320 nan 0.000 0.217 18 A C 2.185 179.771 177.584 0.003 0.000 1.181 18 A CA 3.223 55.261 52.037 0.003 0.000 0.623 18 A CB -0.668 18.333 19.000 0.003 0.000 0.818 18 A HN -0.367 7.785 8.150 0.003 0.000 0.443 19 V N -0.600 119.315 119.914 0.003 0.000 2.358 19 V HA -0.444 nan 4.120 nan 0.000 0.246 19 V C 2.029 178.125 176.094 0.003 0.000 1.047 19 V CA 4.153 66.454 62.300 0.003 0.000 1.035 19 V CB -0.744 31.080 31.823 0.003 0.000 0.658 19 V HN -0.594 7.598 8.190 0.003 0.000 0.452 20 I N -1.100 119.472 120.570 0.003 0.000 2.202 20 I HA -0.483 nan 4.170 nan 0.000 0.242 20 I C 2.314 178.433 176.117 0.003 0.000 1.091 20 I CA 3.903 65.205 61.300 0.004 0.000 1.368 20 I CB -0.029 37.974 38.000 0.004 0.000 1.058 20 I HN -0.463 7.665 8.210 0.003 0.084 0.410 21 L N -0.749 120.476 121.223 0.003 0.000 2.083 21 L HA -0.334 nan 4.340 nan 0.000 0.209 21 L C 2.287 179.159 176.870 0.003 0.000 1.083 21 L CA 2.744 57.586 54.840 0.003 0.000 0.752 21 L CB -1.287 40.774 42.059 0.003 0.000 0.899 21 L HN 0.257 8.489 8.230 0.004 0.000 0.433 22 K N -0.633 119.768 120.400 0.002 0.000 2.211 22 K HA -0.296 nan 4.320 nan 0.000 0.204 22 K C 0.935 177.536 176.600 0.002 0.000 1.047 22 K CA 2.683 58.971 56.287 0.002 0.000 0.935 22 K CB -0.053 32.448 32.500 0.002 0.000 0.728 22 K HN -0.134 8.117 8.250 0.003 0.000 0.452 23 A N -2.591 120.231 122.820 0.002 0.000 2.132 23 A HA -0.011 nan 4.320 nan 0.000 0.213 23 A C 0.077 177.662 177.584 0.002 0.000 1.154 23 A CA 0.249 52.287 52.037 0.002 0.000 0.753 23 A CB 0.591 19.592 19.000 0.002 0.000 0.826 23 A HN -0.490 7.495 8.150 0.002 0.166 0.469 24 L N 0.685 121.909 121.223 0.002 0.000 2.467 24 L HA 0.070 nan 4.340 nan 0.000 0.270 24 L C -1.523 175.348 176.870 0.001 0.000 1.205 24 L CA -1.471 53.370 54.840 0.002 0.000 0.828 24 L CB -0.262 41.799 42.059 0.003 0.000 1.101 24 L HN -0.668 7.455 8.230 0.002 0.108 0.479 25 P HA 0.082 nan 4.420 nan 0.000 0.274 25 P C -0.607 176.693 177.300 0.000 0.000 1.237 25 P CA -0.595 62.505 63.100 0.000 0.000 0.793 25 P CB 0.472 32.172 31.700 -0.001 0.000 0.977 26 E N 0.727 120.926 120.200 -0.001 0.000 2.153 26 E HA -0.206 nan 4.350 nan 0.000 0.194 26 E C -0.481 176.118 176.600 -0.001 0.000 0.988 26 E CA 0.640 57.040 56.400 -0.001 0.000 0.811 26 E CB -0.105 29.594 29.700 -0.001 0.000 0.746 26 E HN 0.439 8.799 8.360 -0.001 0.000 0.466 27 A N -0.090 122.729 122.820 -0.002 0.000 2.566 27 A HA 0.511 nan 4.320 nan 0.000 0.292 27 A C -2.559 175.023 177.584 -0.003 0.000 1.112 27 A CA -1.991 50.045 52.037 -0.002 0.000 0.707 27 A CB 1.008 20.006 19.000 -0.003 0.000 1.302 27 A HN -0.253 7.895 8.150 -0.002 0.000 0.409 28 P HA 0.058 nan 4.420 nan 0.000 0.265 28 P C -0.845 176.451 177.300 -0.007 0.000 1.193 28 P CA -0.168 62.929 63.100 -0.004 0.000 0.765 28 P CB 0.464 32.161 31.700 -0.004 0.000 0.823 29 L N 1.367 122.587 121.223 -0.006 0.000 2.633 29 L HA -0.040 nan 4.340 nan 0.000 0.235 29 L C 0.227 177.089 176.870 -0.014 0.000 1.163 29 L CA 1.952 56.787 54.840 -0.009 0.000 0.859 29 L CB -0.845 41.211 42.059 -0.006 0.000 0.973 29 L HN 0.280 8.508 8.230 -0.004 0.000 0.451 30 D N -3.896 116.493 120.400 -0.018 0.000 2.927 30 D HA 0.094 nan 4.640 nan 0.000 0.219 30 D C -0.411 175.870 176.300 -0.032 0.000 1.248 30 D CA -0.358 53.624 54.000 -0.030 0.000 0.861 30 D CB 2.564 43.343 40.800 -0.036 0.000 1.677 30 D HN -0.320 7.976 8.370 -0.014 0.066 0.511 31 G N 1.999 110.775 108.800 -0.040 0.000 2.712 31 G HA2 -0.184 nan 3.960 nan 0.000 0.212 31 G HA3 -0.184 nan 3.960 nan 0.000 0.212 31 G C -0.366 174.505 174.900 -0.049 0.000 1.142 31 G CA 0.028 45.106 45.100 -0.036 0.000 0.789 31 G HN 0.184 8.447 8.290 -0.045 0.000 0.535 32 N N 1.999 120.651 118.700 -0.081 0.000 2.466 32 N HA -0.069 nan 4.740 nan 0.000 0.263 32 N C -0.335 175.138 175.510 -0.061 0.000 1.178 32 N CA -0.574 52.404 53.050 -0.120 0.000 0.983 32 N CB -0.534 37.794 38.487 -0.264 0.000 1.331 32 N HN -0.539 8.043 8.380 -0.087 -0.253 0.500 33 N N 3.939 122.627 118.700 -0.019 0.000 2.321 33 N HA -0.067 nan 4.740 nan 0.000 0.242 33 N C -0.545 174.989 175.510 0.040 0.000 1.141 33 N CA -0.228 52.831 53.050 0.013 0.000 0.864 33 N CB 0.022 38.514 38.487 0.008 0.000 1.100 33 N HN -0.105 8.262 8.380 -0.021 0.000 0.510 34 K N 2.456 122.897 120.400 0.069 0.000 2.268 34 K HA 0.189 nan 4.320 nan 0.000 0.276 34 K C -0.406 176.290 176.600 0.160 0.000 1.080 34 K CA -0.835 55.509 56.287 0.096 0.000 0.910 34 K CB 0.382 32.947 32.500 0.108 0.000 1.163 34 K HN -0.854 7.557 8.250 0.055 -0.128 0.465 35 M N 5.816 125.470 119.600 0.090 0.000 2.267 35 M HA -0.190 nan 4.480 nan 0.000 0.263 35 M C 0.296 176.612 176.300 0.028 0.000 1.063 35 M CA 2.057 57.408 55.300 0.085 0.000 1.090 35 M CB 0.053 32.664 32.600 0.019 0.000 1.392 35 M HN 0.732 9.052 8.290 0.051 0.000 0.422 36 G N -2.983 105.773 108.800 -0.073 0.000 4.433 36 G HA2 0.304 nan 3.960 nan 0.000 0.304 36 G HA3 0.304 nan 3.960 nan 0.000 0.304 36 G C -0.412 174.231 174.900 -0.429 0.000 1.254 36 G CA -0.657 44.242 45.100 -0.334 0.000 0.999 36 G HN -0.138 8.125 8.290 -0.045 0.000 0.576 37 Y N -0.647 119.598 120.300 -0.091 0.000 2.365 37 Y HA -0.394 nan 4.550 nan 0.000 0.287 37 Y C -0.169 175.729 175.900 -0.003 0.000 1.162 37 Y CA 1.824 59.916 58.100 -0.014 0.000 1.260 37 Y CB -0.508 38.003 38.460 0.084 0.000 0.976 37 Y HN -0.665 7.675 8.280 0.187 0.052 0.548 38 F N -5.532 114.144 119.950 -0.457 0.000 2.727 38 F HA 0.201 nan 4.527 nan 0.000 0.302 38 F C 0.390 176.127 175.800 -0.105 0.000 1.097 38 F CA -1.661 56.176 58.000 -0.272 0.000 1.330 38 F CB -0.359 38.356 39.000 -0.475 0.000 1.084 38 F HN -0.798 6.726 8.300 -1.173 0.073 0.578 39 V N 1.490 121.058 119.914 -0.576 0.000 2.407 39 V HA -0.248 nan 4.120 nan 0.000 0.248 39 V C -0.007 176.021 176.094 -0.110 0.000 1.055 39 V CA 2.000 64.108 62.300 -0.320 0.000 1.049 39 V CB -0.663 30.903 31.823 -0.429 0.000 0.662 39 V HN -0.477 7.255 8.190 -0.675 0.053 0.455 40 T N -1.219 113.280 114.554 -0.092 0.000 1.616 40 T HA -0.084 nan 4.350 nan 0.000 0.650 40 T C -2.973 171.665 174.700 -0.104 0.000 0.943 40 T CA -0.923 61.142 62.100 -0.059 0.000 3.446 40 T CB -0.199 68.653 68.868 -0.026 0.000 2.003 40 T HN 0.132 8.310 8.240 -0.104 0.000 0.436 41 P HA 0.348 nan 4.420 nan 0.000 0.280 41 P C -0.607 176.581 177.300 -0.187 0.000 1.244 41 P CA -0.973 62.071 63.100 -0.093 0.000 0.784 41 P CB 0.624 32.318 31.700 -0.010 0.000 0.913 42 R N 3.848 124.108 120.500 -0.399 0.000 2.119 42 R HA -0.071 nan 4.340 nan 0.000 0.222 42 R C -0.153 175.776 176.300 -0.619 0.000 1.088 42 R CA 1.688 57.370 56.100 -0.697 0.000 0.984 42 R CB 0.592 30.066 30.300 -1.377 0.000 0.884 42 R HN 0.267 8.584 8.270 -0.398 -0.286 0.447 43 W N -1.861 119.454 121.300 0.025 0.000 2.616 43 W HA 0.268 nan 4.660 nan 0.000 0.419 43 W C -0.716 175.815 176.519 0.022 0.000 0.835 43 W CA -1.374 55.986 57.345 0.026 0.000 2.483 43 W CB -1.088 28.391 29.460 0.031 0.000 1.289 43 W HN -0.177 7.932 8.180 -0.076 0.025 0.755 44 K N -1.959 118.515 120.400 0.124 0.000 10.062 44 K HA -0.553 nan 4.320 nan 0.000 0.515 44 K C 0.016 176.673 176.600 0.095 0.000 0.373 44 K CA 2.112 58.456 56.287 0.095 0.000 1.953 44 K CB -1.387 31.172 32.500 0.098 0.000 0.729 44 K HN -0.015 8.265 8.250 0.050 0.000 1.124 45 R N 0.786 121.358 120.500 0.120 0.000 2.357 45 R HA 0.035 nan 4.340 nan 0.000 0.296 45 R C 0.411 176.785 176.300 0.124 0.000 1.052 45 R CA -0.583 55.576 56.100 0.098 0.000 0.988 45 R CB 0.638 30.990 30.300 0.086 0.000 1.025 45 R HN -0.213 8.109 8.270 0.154 0.040 0.469 46 L N 3.072 124.346 121.223 0.085 0.000 1.998 46 L HA -0.303 nan 4.340 nan 0.000 0.244 46 L C -0.767 176.193 176.870 0.150 0.000 1.083 46 L CA 1.959 56.846 54.840 0.078 0.000 0.866 46 L CB 0.070 42.137 42.059 0.013 0.000 0.918 46 L HN 0.256 8.523 8.230 0.062 0.000 0.426 47 T N -10.327 104.295 114.554 0.112 0.000 3.153 47 T HA -0.081 nan 4.350 nan 0.000 0.375 47 T C 0.129 174.869 174.700 0.067 0.000 1.752 47 T CA -0.879 61.305 62.100 0.141 0.000 1.021 47 T CB -0.064 68.966 68.868 0.271 0.000 1.843 47 T HN -0.576 7.695 8.240 0.052 0.000 0.508 48 E N 3.148 123.374 120.200 0.042 0.000 2.110 48 E HA -0.310 nan 4.350 nan 0.000 0.193 48 E C 0.912 177.394 176.600 -0.196 0.000 0.988 48 E CA 2.524 58.870 56.400 -0.091 0.000 0.804 48 E CB -0.056 29.616 29.700 -0.045 0.000 0.745 48 E HN 0.508 8.916 8.360 0.080 0.000 0.458 49 Y N -1.418 118.816 120.300 -0.110 0.000 2.165 49 Y HA -0.440 nan 4.550 nan 0.000 0.286 49 Y C 1.508 177.371 175.900 -0.062 0.000 1.155 49 Y CA 2.927 61.005 58.100 -0.037 0.000 1.164 49 Y CB -0.266 38.337 38.460 0.238 0.000 0.978 49 Y HN 0.026 8.463 8.280 0.261 0.000 0.513 50 E N -1.224 118.852 120.200 -0.206 0.000 2.028 50 E HA -0.488 nan 4.350 nan 0.000 0.191 50 E C 2.240 178.643 176.600 -0.329 0.000 0.988 50 E CA 2.800 58.992 56.400 -0.347 0.000 0.799 50 E CB -0.250 29.372 29.700 -0.131 0.000 0.755 50 E HN -0.666 7.761 8.360 0.111 0.000 0.447 51 A N -0.082 122.593 122.820 -0.241 0.000 1.908 51 A HA -0.205 nan 4.320 nan 0.000 0.218 51 A C 1.972 179.399 177.584 -0.262 0.000 1.181 51 A CA 2.963 54.856 52.037 -0.240 0.000 0.627 51 A CB -0.337 18.557 19.000 -0.177 0.000 0.818 51 A HN -0.158 7.890 8.150 -0.171 0.000 0.445 52 L N -4.632 116.396 121.223 -0.324 0.000 2.465 52 L HA -0.153 nan 4.340 nan 0.000 0.224 52 L C 1.084 177.795 176.870 -0.265 0.000 1.145 52 L CA 1.745 56.392 54.840 -0.323 0.000 0.834 52 L CB 0.090 41.843 42.059 -0.510 0.000 0.944 52 L HN 0.240 8.252 8.230 -0.362 0.000 0.451 53 T N -0.658 113.702 114.554 -0.323 0.000 3.138 53 T HA 0.080 nan 4.350 nan 0.000 0.245 53 T C -0.371 174.156 174.700 -0.288 0.000 0.982 53 T CA 1.549 63.468 62.100 -0.302 0.000 1.134 53 T CB 2.169 70.767 68.868 -0.450 0.000 1.032 53 T HN -0.611 7.221 8.240 -0.377 0.182 0.442 54 V N 3.123 122.804 119.914 -0.388 0.000 2.529 54 V HA -0.201 nan 4.120 nan 0.000 0.292 54 V C -0.393 175.402 176.094 -0.498 0.000 1.028 54 V CA 1.781 63.776 62.300 -0.508 0.000 1.074 54 V CB -1.137 30.280 31.823 -0.677 0.000 0.958 54 V HN -0.026 7.909 8.190 -0.424 0.000 0.481 55 Y N 1.819 121.953 120.300 -0.276 0.000 4.937 55 Y HA -0.388 nan 4.550 nan 0.000 0.256 55 Y C -0.162 175.657 175.900 -0.134 0.000 0.944 55 Y CA 0.218 58.099 58.100 -0.365 0.000 1.947 55 Y CB -3.046 35.223 38.460 -0.319 0.000 1.429 55 Y HN 0.040 8.398 8.280 -0.442 -0.344 0.597 56 A N -0.755 122.078 122.820 0.022 0.000 2.019 56 A HA -0.227 nan 4.320 nan 0.000 0.219 56 A C -0.026 177.597 177.584 0.064 0.000 1.164 56 A CA 1.562 53.614 52.037 0.027 0.000 0.644 56 A CB 0.261 19.249 19.000 -0.020 0.000 0.805 56 A HN -0.303 7.796 8.150 -0.044 0.025 0.449 57 Q N 0.079 119.944 119.800 0.109 0.000 2.286 57 Q HA 0.105 nan 4.340 nan 0.000 0.267 57 Q C -1.233 174.879 176.000 0.187 0.000 1.028 57 Q CA -2.841 53.008 55.803 0.076 0.000 0.901 57 Q CB 0.532 29.227 28.738 -0.071 0.000 1.183 57 Q HN -0.467 8.188 8.270 0.168 -0.284 0.392 58 P HA 0.006 nan 4.420 nan 0.000 0.237 58 P C -1.426 176.010 177.300 0.226 0.000 1.723 58 P CA -0.611 62.621 63.100 0.219 0.000 0.882 58 P CB -1.256 30.591 31.700 0.244 0.000 1.810 59 N N 1.665 120.490 118.700 0.209 0.000 2.520 59 N HA -0.043 nan 4.740 nan 0.000 0.273 59 N C -0.493 174.937 175.510 -0.132 0.000 1.155 59 N CA 0.127 53.212 53.050 0.058 0.000 0.967 59 N CB 0.668 39.235 38.487 0.133 0.000 1.092 59 N HN -0.346 8.128 8.380 0.267 0.067 0.457 60 A N 2.722 125.284 122.820 -0.431 0.000 2.259 60 A HA 0.169 nan 4.320 nan 0.000 0.278 60 A C 1.050 178.514 177.584 -0.199 0.000 1.107 60 A CA -0.190 51.654 52.037 -0.323 0.000 0.828 60 A CB 1.280 20.045 19.000 -0.392 0.000 1.111 60 A HN 0.202 7.906 8.150 -0.743 0.000 0.498 61 D N -0.173 120.233 120.400 0.009 0.000 2.309 61 D HA -0.240 nan 4.640 nan 0.000 0.212 61 D C 0.836 177.228 176.300 0.154 0.000 0.968 61 D CA 2.414 56.471 54.000 0.094 0.000 0.882 61 D CB -0.477 40.405 40.800 0.138 0.000 0.918 61 D HN 0.073 8.492 8.370 0.080 0.000 0.503 62 W N -4.210 117.137 121.300 0.078 0.000 2.937 62 W HA 0.055 nan 4.660 nan 0.000 0.245 62 W C -0.907 175.697 176.519 0.140 0.000 1.306 62 W CA -1.609 55.791 57.345 0.091 0.000 1.470 62 W CB -0.333 29.161 29.460 0.057 0.000 1.132 62 W HN -0.508 7.642 8.180 0.045 0.057 0.675 63 I N 2.458 122.980 120.570 -0.080 0.000 2.359 63 I HA 0.090 nan 4.170 nan 0.000 0.284 63 I C -0.951 175.277 176.117 0.185 0.000 1.018 63 I CA -1.195 60.133 61.300 0.047 0.000 1.173 63 I CB 0.342 38.261 38.000 -0.135 0.000 1.326 63 I HN -0.703 7.308 8.210 -0.244 0.053 0.462 64 A N 7.999 130.979 122.820 0.267 0.000 2.573 64 A HA -0.323 nan 4.320 nan 0.000 0.266 64 A C 0.816 178.562 177.584 0.270 0.000 1.007 64 A CA 1.952 54.125 52.037 0.226 0.000 0.878 64 A CB -0.533 18.542 19.000 0.125 0.000 0.886 64 A HN 0.972 9.292 8.150 0.284 0.000 0.507 65 G N 2.179 111.142 108.800 0.271 0.000 2.232 65 G HA2 -0.397 nan 3.960 nan 0.000 0.226 65 G HA3 -0.397 nan 3.960 nan 0.000 0.226 65 G C 0.236 175.409 174.900 0.455 0.000 0.996 65 G CA -0.588 44.749 45.100 0.394 0.000 0.626 65 G HN 0.475 8.892 8.290 0.212 0.000 0.509 66 G N 0.213 109.249 108.800 0.393 0.000 2.491 66 G HA2 -0.091 nan 3.960 nan 0.000 0.238 66 G HA3 -0.091 nan 3.960 nan 0.000 0.238 66 G C -0.877 174.052 174.900 0.048 0.000 1.277 66 G CA -0.041 45.229 45.100 0.283 0.000 0.851 66 G HN -0.480 7.928 8.290 0.311 0.068 0.573 67 L N 1.505 122.675 121.223 -0.088 0.000 2.616 67 L HA 0.245 nan 4.340 nan 0.000 0.229 67 L C 0.482 177.305 176.870 -0.079 0.000 1.110 67 L CA 0.109 54.854 54.840 -0.160 0.000 0.884 67 L CB 0.653 42.484 42.059 -0.380 0.000 1.115 67 L HN 0.034 8.213 8.230 -0.085 0.000 0.481 68 D N -0.349 120.008 120.400 -0.072 0.000 2.478 68 D HA 0.116 nan 4.640 nan 0.000 0.274 68 D C -1.792 174.527 176.300 0.032 0.000 1.234 68 D CA -0.767 53.181 54.000 -0.085 0.000 1.069 68 D CB 2.251 42.940 40.800 -0.186 0.000 1.113 68 D HN -0.265 8.059 8.370 -0.077 0.000 0.571 69 W N -4.403 116.866 121.300 -0.051 0.000 3.083 69 W HA 0.272 nan 4.660 nan 0.000 0.333 69 W C -1.135 175.394 176.519 0.016 0.000 1.217 69 W CA -1.240 56.107 57.345 0.002 0.000 1.170 69 W CB 2.886 32.347 29.460 0.002 0.000 1.437 69 W HN -0.010 7.863 8.180 -0.512 0.000 0.557 70 G N 0.294 109.347 108.800 0.421 0.000 2.757 70 G HA2 -0.445 nan 3.960 nan 0.000 0.638 70 G HA3 -0.445 nan 3.960 nan 0.000 0.638 70 G C -2.022 172.976 174.900 0.162 0.000 1.344 70 G CA -0.487 44.784 45.100 0.285 0.000 0.855 70 G HN 0.202 8.780 8.290 0.480 0.000 0.537 71 D N -1.174 119.273 120.400 0.078 0.000 2.411 71 D HA 0.152 nan 4.640 nan 0.000 0.251 71 D C 0.028 176.328 176.300 -0.000 0.000 1.201 71 D CA -0.922 53.116 54.000 0.063 0.000 0.996 71 D CB 0.884 41.708 40.800 0.040 0.000 1.101 71 D HN -0.032 8.382 8.370 0.075 0.000 0.504 72 W N -1.106 120.339 121.300 0.242 0.000 2.137 72 W HA 0.079 nan 4.660 nan 0.000 0.344 72 W C 1.412 177.957 176.519 0.043 0.000 1.286 72 W CA -0.396 57.023 57.345 0.122 0.000 1.240 72 W CB 0.603 30.146 29.460 0.138 0.000 1.141 72 W HN -0.127 8.187 8.180 0.224 0.000 0.579 73 T N -2.883 111.828 114.554 0.262 0.000 3.014 73 T HA -0.171 nan 4.350 nan 0.000 0.263 73 T C -0.471 174.271 174.700 0.071 0.000 1.078 73 T CA 0.717 62.885 62.100 0.113 0.000 1.135 73 T CB 0.114 69.019 68.868 0.062 0.000 0.895 73 T HN -0.103 8.326 8.240 0.314 0.000 0.480 74 Q N 0.142 119.977 119.800 0.058 0.000 2.269 74 Q HA 0.278 nan 4.340 nan 0.000 0.263 74 Q C -1.879 174.094 176.000 -0.046 0.000 0.983 74 Q CA -0.252 55.537 55.803 -0.024 0.000 0.777 74 Q CB 2.011 30.696 28.738 -0.087 0.000 1.273 74 Q HN -0.195 8.136 8.270 0.102 0.000 0.440 75 K N 2.522 122.915 120.400 -0.010 0.000 2.393 75 K HA 0.495 nan 4.320 nan 0.000 0.241 75 K C -0.428 176.157 176.600 -0.026 0.000 1.055 75 K CA -1.440 54.862 56.287 0.024 0.000 0.951 75 K CB 1.837 34.432 32.500 0.159 0.000 1.285 75 K HN 0.022 8.271 8.250 -0.003 0.000 0.500 76 F N -1.067 118.863 119.950 -0.034 0.000 2.444 76 F HA -0.006 nan 4.527 nan 0.000 0.331 76 F C 1.066 176.884 175.800 0.030 0.000 1.167 76 F CA 0.511 58.510 58.000 -0.001 0.000 1.262 76 F CB 0.857 39.863 39.000 0.009 0.000 1.196 76 F HN 0.129 8.700 8.300 0.451 0.000 0.583 77 H N 1.228 120.406 119.070 0.181 0.000 2.928 77 H HA -0.221 nan 4.556 nan 0.000 0.338 77 H C 1.477 176.871 175.328 0.109 0.000 1.047 77 H CA 2.395 58.507 56.048 0.107 0.000 1.435 77 H CB 0.523 30.330 29.762 0.075 0.000 1.428 77 H HN 0.254 8.815 8.280 0.468 0.000 0.590 78 G N 4.672 113.583 108.800 0.185 0.000 2.317 78 G HA2 -0.270 nan 3.960 nan 0.000 0.227 78 G HA3 -0.270 nan 3.960 nan 0.000 0.227 78 G C -0.176 174.778 174.900 0.091 0.000 1.042 78 G CA -0.248 44.920 45.100 0.113 0.000 0.623 78 G HN 0.417 8.804 8.290 0.162 0.000 0.509 79 G N -1.261 107.611 108.800 0.119 0.000 2.205 79 G HA2 -0.344 nan 3.960 nan 0.000 0.180 79 G HA3 -0.344 nan 3.960 nan 0.000 0.180 79 G C -0.964 174.024 174.900 0.147 0.000 1.004 79 G CA -0.350 44.818 45.100 0.112 0.000 0.670 79 G HN -0.045 8.147 8.290 0.160 0.193 0.496 80 R N 1.710 122.300 120.500 0.150 0.000 2.522 80 R HA 0.165 nan 4.340 nan 0.000 0.284 80 R C -1.693 174.775 176.300 0.280 0.000 1.032 80 R CA -1.593 54.573 56.100 0.109 0.000 1.049 80 R CB 0.097 30.287 30.300 -0.183 0.000 0.956 80 R HN -0.099 8.255 8.270 0.140 0.000 0.422 81 P HA 0.087 nan 4.420 nan 0.000 0.269 81 P C 0.234 177.610 177.300 0.127 0.000 1.209 81 P CA -0.329 63.007 63.100 0.392 0.000 0.776 81 P CB 0.471 32.597 31.700 0.710 0.000 0.876 82 S N 1.488 116.944 115.700 -0.408 0.000 2.359 82 S HA -0.233 nan 4.470 nan 0.000 0.223 82 S C -0.685 173.405 174.600 -0.851 0.000 1.039 82 S CA 3.930 61.590 58.200 -0.900 0.000 1.042 82 S CB 0.380 62.549 63.200 -1.719 0.000 0.915 82 S HN 0.537 8.523 8.310 -0.540 0.000 0.439 83 W N -3.213 117.847 121.300 -0.400 0.000 2.936 83 W HA 0.270 nan 4.660 nan 0.000 0.338 83 W C -1.436 175.219 176.519 0.226 0.000 1.121 83 W CA -0.179 57.122 57.345 -0.072 0.000 1.209 83 W CB 4.580 33.967 29.460 -0.121 0.000 1.420 83 W HN -0.668 7.255 8.180 -0.429 0.000 0.516 84 G N -1.461 107.588 108.800 0.415 0.000 2.682 84 G HA2 0.098 nan 3.960 nan 0.000 0.290 84 G HA3 0.098 nan 3.960 nan 0.000 0.290 84 G C -0.780 174.325 174.900 0.342 0.000 1.425 84 G CA -0.677 44.695 45.100 0.453 0.000 0.807 84 G HN -0.058 8.440 8.290 0.346 0.000 0.482 85 N N 0.101 119.028 118.700 0.379 0.000 2.270 85 N HA -0.230 nan 4.740 nan 0.000 0.181 85 N C 1.846 177.521 175.510 0.275 0.000 1.016 85 N CA 2.421 55.666 53.050 0.324 0.000 0.870 85 N CB -0.138 38.541 38.487 0.320 0.000 0.979 85 N HN 0.372 9.044 8.380 0.487 0.000 0.431 86 E N -1.285 119.068 120.200 0.255 0.000 2.455 86 E HA -0.172 nan 4.350 nan 0.000 0.202 86 E C 0.681 177.401 176.600 0.199 0.000 1.045 86 E CA 1.979 58.499 56.400 0.200 0.000 0.872 86 E CB -0.975 28.826 29.700 0.168 0.000 0.792 86 E HN 0.319 8.838 8.360 0.286 0.013 0.542 87 T N -6.880 107.822 114.554 0.247 0.000 3.129 87 T HA 0.085 nan 4.350 nan 0.000 0.251 87 T C -0.944 173.932 174.700 0.293 0.000 1.117 87 T CA 0.106 62.374 62.100 0.280 0.000 1.034 87 T CB 0.409 69.474 68.868 0.327 0.000 0.968 87 T HN -0.526 7.818 8.240 0.275 0.061 0.526 88 T N 0.366 115.057 114.554 0.228 0.000 2.843 88 T HA 0.248 nan 4.350 nan 0.000 0.302 88 T C -1.144 173.672 174.700 0.192 0.000 1.232 88 T CA -0.902 61.267 62.100 0.115 0.000 1.009 88 T CB 2.445 71.215 68.868 -0.164 0.000 1.254 88 T HN -0.640 7.707 8.240 0.247 0.041 0.504 89 E N 0.413 120.754 120.200 0.235 0.000 2.230 89 E HA 0.142 nan 4.350 nan 0.000 0.192 89 E C 0.856 177.609 176.600 0.256 0.000 0.987 89 E CA 1.087 57.639 56.400 0.253 0.000 0.841 89 E CB 0.772 30.633 29.700 0.267 0.000 0.783 89 E HN -0.186 8.564 8.360 0.267 -0.230 0.481 90 L N -0.125 121.228 121.223 0.217 0.000 2.467 90 L HA -0.046 nan 4.340 nan 0.000 0.270 90 L C -0.230 176.743 176.870 0.172 0.000 1.205 90 L CA 0.753 55.699 54.840 0.177 0.000 0.828 90 L CB 0.166 42.319 42.059 0.157 0.000 1.101 90 L HN -0.968 7.404 8.230 0.237 0.000 0.479 91 R N 0.642 121.114 120.500 -0.047 0.000 2.837 91 R HA 0.339 nan 4.340 nan 0.000 0.271 91 R C -1.999 173.939 176.300 -0.603 0.000 0.993 91 R CA -1.980 53.852 56.100 -0.446 0.000 0.931 91 R CB 3.430 33.089 30.300 -1.068 0.000 1.206 91 R HN -0.102 8.455 8.270 0.019 -0.275 0.474 92 T N -1.586 112.606 114.554 -0.602 0.000 2.802 92 T HA 0.235 nan 4.350 nan 0.000 0.311 92 T C -0.593 174.062 174.700 -0.076 0.000 1.405 92 T CA -1.280 60.620 62.100 -0.332 0.000 1.016 92 T CB 2.391 70.785 68.868 -0.789 0.000 1.352 92 T HN -0.077 7.836 8.240 -0.545 0.000 0.498 93 V N 1.658 121.606 119.914 0.057 0.000 2.719 93 V HA 0.046 nan 4.120 nan 0.000 0.252 93 V C -0.575 175.530 176.094 0.020 0.000 1.065 93 V CA 1.096 63.445 62.300 0.082 0.000 1.086 93 V CB 0.500 32.366 31.823 0.072 0.000 0.700 93 V HN 0.290 8.813 8.190 0.050 -0.303 0.467 94 D N -3.205 117.154 120.400 -0.070 0.000 2.738 94 D HA 0.149 nan 4.640 nan 0.000 0.218 94 D C -0.415 175.850 176.300 -0.059 0.000 1.345 94 D CA -0.465 53.548 54.000 0.021 0.000 0.943 94 D CB 1.445 42.308 40.800 0.104 0.000 1.514 94 D HN -0.764 7.486 8.370 -0.161 0.024 0.585 95 W N 3.477 124.772 121.300 -0.008 0.000 2.800 95 W HA -0.111 nan 4.660 nan 0.000 0.249 95 W C 1.061 177.408 176.519 -0.286 0.000 1.294 95 W CA 1.021 58.263 57.345 -0.173 0.000 1.402 95 W CB 0.645 29.915 29.460 -0.317 0.000 1.126 95 W HN 0.761 9.043 8.180 0.170 0.000 0.652 96 F N -2.051 117.988 119.950 0.149 0.000 2.692 96 F HA -0.059 nan 4.527 nan 0.000 0.303 96 F C 0.487 176.253 175.800 -0.056 0.000 1.114 96 F CA 1.145 59.137 58.000 -0.013 0.000 1.361 96 F CB -1.068 37.835 39.000 -0.163 0.000 1.063 96 F HN 0.040 8.790 8.300 0.330 -0.252 0.550 97 K N 0.688 121.162 120.400 0.124 0.000 2.155 97 K HA -0.280 nan 4.320 nan 0.000 0.203 97 K C 0.006 176.632 176.600 0.044 0.000 1.052 97 K CA 1.804 58.122 56.287 0.052 0.000 0.948 97 K CB 0.220 32.740 32.500 0.034 0.000 0.728 97 K HN -0.667 7.562 8.250 0.119 0.092 0.448 98 H N -0.672 118.402 119.070 0.006 0.000 3.038 98 H HA -0.136 nan 4.556 nan 0.000 0.338 98 H C -0.551 174.804 175.328 0.045 0.000 1.041 98 H CA 1.026 57.088 56.048 0.023 0.000 1.394 98 H CB 0.389 30.174 29.762 0.038 0.000 1.357 98 H HN -0.231 8.169 8.280 0.199 0.000 0.600 99 R N 4.938 125.138 120.500 -0.500 0.000 2.538 99 R HA 0.097 nan 4.340 nan 0.000 0.292 99 R C -1.561 174.544 176.300 -0.325 0.000 1.008 99 R CA -2.122 53.822 56.100 -0.259 0.000 0.896 99 R CB 2.795 33.024 30.300 -0.118 0.000 1.187 99 R HN -0.167 8.174 8.270 -0.338 -0.274 0.440 100 D N 5.175 125.491 120.400 -0.140 0.000 2.382 100 D HA 0.122 nan 4.640 nan 0.000 0.259 100 D C 0.116 176.451 176.300 0.059 0.000 1.224 100 D CA -2.204 51.778 54.000 -0.031 0.000 0.894 100 D CB 1.567 42.319 40.800 -0.081 0.000 1.127 100 D HN 0.049 8.507 8.370 0.146 0.000 0.487 101 P HA -0.187 nan 4.420 nan 0.000 0.216 101 P C 0.409 177.684 177.300 -0.041 0.000 1.150 101 P CA 1.830 65.023 63.100 0.156 0.000 0.843 101 P CB 0.252 32.044 31.700 0.154 0.000 0.787 102 L N -6.409 114.780 121.223 -0.057 0.000 2.612 102 L HA -0.007 nan 4.340 nan 0.000 0.230 102 L C -0.219 176.519 176.870 -0.220 0.000 1.140 102 L CA -0.594 54.178 54.840 -0.113 0.000 0.896 102 L CB -1.272 40.769 42.059 -0.030 0.000 1.065 102 L HN -0.587 7.862 8.230 0.008 -0.214 0.447 103 R N -4.054 116.201 120.500 -0.408 0.000 3.333 103 R HA -0.434 nan 4.340 nan 0.000 0.256 103 R C -0.989 175.035 176.300 -0.460 0.000 1.010 103 R CA 0.838 56.497 56.100 -0.735 0.000 0.680 103 R CB -2.884 27.203 30.300 -0.354 0.000 1.102 103 R HN -0.173 7.689 8.270 -0.353 0.196 0.440 104 R N -0.352 119.947 120.500 -0.335 0.000 2.196 104 R HA 0.124 nan 4.340 nan 0.000 0.340 104 R C -0.534 176.036 176.300 0.451 0.000 1.043 104 R CA -0.266 55.872 56.100 0.063 0.000 0.883 104 R CB 0.396 30.761 30.300 0.108 0.000 1.078 104 R HN -0.686 7.498 8.270 -0.462 -0.191 0.462 105 W N 2.202 123.718 121.300 0.360 0.000 2.615 105 W HA 0.237 nan 4.660 nan 0.000 0.423 105 W C -0.588 176.185 176.519 0.424 0.000 1.666 105 W CA -2.656 54.947 57.345 0.429 0.000 1.717 105 W CB 0.352 30.011 29.460 0.331 0.000 1.696 105 W HN -0.362 7.972 8.180 0.256 0.000 0.701 106 H N 1.304 120.648 119.070 0.456 0.000 2.423 106 H HA -0.375 nan 4.556 nan 0.000 0.297 106 H C 1.244 176.464 175.328 -0.180 0.000 1.075 106 H CA 4.474 60.653 56.048 0.217 0.000 1.342 106 H CB 0.469 30.382 29.762 0.252 0.000 1.395 106 H HN 0.412 9.218 8.280 0.876 0.000 0.530 107 A N -0.675 121.818 122.820 -0.545 0.000 1.854 107 A HA -0.051 nan 4.320 nan 0.000 0.214 107 A C -0.571 176.706 177.584 -0.512 0.000 1.192 107 A CA 4.395 56.107 52.037 -0.542 0.000 0.611 107 A CB -2.277 16.258 19.000 -0.775 0.000 0.832 107 A HN 0.504 7.990 8.150 -1.107 0.000 0.442 108 P HA -0.201 nan 4.420 nan 0.000 0.218 108 P C 1.058 178.170 177.300 -0.313 0.000 1.149 108 P CA 2.459 65.328 63.100 -0.386 0.000 0.817 108 P CB -0.436 31.050 31.700 -0.356 0.000 0.785 109 Y N 0.194 120.196 120.300 -0.496 0.000 2.163 109 Y HA -0.366 nan 4.550 nan 0.000 0.288 109 Y C 1.603 177.201 175.900 -0.503 0.000 1.136 109 Y CA 4.157 61.897 58.100 -0.599 0.000 1.147 109 Y CB 0.296 38.087 38.460 -1.115 0.000 0.987 109 Y HN -0.614 7.471 8.280 -0.309 0.010 0.509 110 V N -5.519 114.089 119.914 -0.509 0.000 2.970 110 V HA -0.309 nan 4.120 nan 0.000 0.260 110 V C 1.484 177.406 176.094 -0.286 0.000 1.100 110 V CA 2.496 64.537 62.300 -0.432 0.000 1.122 110 V CB -1.472 30.192 31.823 -0.265 0.000 0.721 110 V HN -0.199 7.737 8.190 -0.423 0.000 0.483 111 K N 1.409 121.657 120.400 -0.254 0.000 2.007 111 K HA -0.308 nan 4.320 nan 0.000 0.206 111 K C 1.580 178.086 176.600 -0.157 0.000 1.047 111 K CA 3.760 59.949 56.287 -0.164 0.000 0.937 111 K CB -0.142 32.266 32.500 -0.152 0.000 0.718 111 K HN -0.257 7.674 8.250 -0.292 0.144 0.438 112 D N -0.537 119.738 120.400 -0.208 0.000 2.123 112 D HA -0.298 nan 4.640 nan 0.000 0.196 112 D C 2.399 178.605 176.300 -0.156 0.000 0.992 112 D CA 3.488 57.387 54.000 -0.168 0.000 0.833 112 D CB -0.481 40.202 40.800 -0.194 0.000 0.954 112 D HN -0.289 7.931 8.370 -0.249 0.000 0.455 113 K N -0.583 119.645 120.400 -0.286 0.000 2.103 113 K HA -0.198 nan 4.320 nan 0.000 0.204 113 K C 1.905 178.477 176.600 -0.048 0.000 1.052 113 K CA 2.730 58.879 56.287 -0.229 0.000 0.945 113 K CB 0.083 32.312 32.500 -0.452 0.000 0.722 113 K HN -0.593 7.403 8.250 -0.424 0.000 0.443 114 A N -0.750 122.045 122.820 -0.041 0.000 1.933 114 A HA -0.274 nan 4.320 nan 0.000 0.218 114 A C 2.149 179.821 177.584 0.147 0.000 1.175 114 A CA 3.172 55.267 52.037 0.096 0.000 0.628 114 A CB -0.968 18.060 19.000 0.046 0.000 0.814 114 A HN -0.086 7.989 8.150 -0.127 0.000 0.444 115 E N -1.417 118.827 120.200 0.073 0.000 2.077 115 E HA -0.445 nan 4.350 nan 0.000 0.193 115 E C 2.575 179.279 176.600 0.172 0.000 0.989 115 E CA 3.430 59.884 56.400 0.090 0.000 0.800 115 E CB -0.212 29.509 29.700 0.035 0.000 0.746 115 E HN -0.076 8.285 8.360 0.011 0.005 0.452 116 E N 0.057 120.365 120.200 0.179 0.000 2.106 116 E HA -0.297 nan 4.350 nan 0.000 0.192 116 E C 2.041 178.855 176.600 0.356 0.000 0.984 116 E CA 2.694 59.243 56.400 0.249 0.000 0.806 116 E CB -0.290 29.534 29.700 0.207 0.000 0.750 116 E HN -0.491 7.858 8.360 0.115 0.080 0.458 117 W N 0.045 121.396 121.300 0.084 0.000 2.338 117 W HA -0.424 nan 4.660 nan 0.000 0.304 117 W C 1.728 178.293 176.519 0.076 0.000 1.212 117 W CA 2.719 60.108 57.345 0.074 0.000 1.264 117 W CB 0.483 29.964 29.460 0.036 0.000 1.142 117 W HN 0.239 8.656 8.180 0.393 0.000 0.512 118 R N -3.689 116.869 120.500 0.097 0.000 2.127 118 R HA -0.309 nan 4.340 nan 0.000 0.217 118 R C 2.188 178.492 176.300 0.007 0.000 1.074 118 R CA 3.433 59.474 56.100 -0.100 0.000 0.991 118 R CB 0.025 30.315 30.300 -0.017 0.000 0.895 118 R HN -0.325 8.082 8.270 0.228 0.000 0.450 119 Y N 1.175 121.490 120.300 0.026 0.000 2.373 119 Y HA -0.239 nan 4.550 nan 0.000 0.293 119 Y C 1.281 177.245 175.900 0.107 0.000 1.129 119 Y CA 2.614 60.753 58.100 0.066 0.000 1.226 119 Y CB -0.233 38.288 38.460 0.103 0.000 1.000 119 Y HN 0.150 8.599 8.280 0.282 0.000 0.549 120 T N 3.028 117.565 114.554 -0.028 0.000 2.684 120 T HA -0.491 nan 4.350 nan 0.000 0.267 120 T C 1.473 176.022 174.700 -0.251 0.000 1.036 120 T CA 5.624 67.694 62.100 -0.051 0.000 1.148 120 T CB -0.863 68.166 68.868 0.269 0.000 0.863 120 T HN 0.188 8.430 8.240 0.145 0.085 0.436 121 D N 1.235 121.439 120.400 -0.328 0.000 2.117 121 D HA -0.256 nan 4.640 nan 0.000 0.197 121 D C 2.023 178.150 176.300 -0.288 0.000 0.987 121 D CA 3.505 57.282 54.000 -0.372 0.000 0.829 121 D CB 0.046 40.565 40.800 -0.470 0.000 0.961 121 D HN -0.344 7.820 8.370 -0.344 0.000 0.460 122 R N -1.328 119.039 120.500 -0.222 0.000 2.075 122 R HA -0.267 nan 4.340 nan 0.000 0.232 122 R C 2.505 178.655 176.300 -0.250 0.000 1.126 122 R CA 3.047 59.053 56.100 -0.158 0.000 0.963 122 R CB 0.018 30.318 30.300 0.001 0.000 0.858 122 R HN -0.368 7.790 8.270 -0.187 0.000 0.435 123 F N 1.815 121.431 119.950 -0.556 0.000 2.134 123 F HA -0.293 nan 4.527 nan 0.000 0.299 123 F C 0.959 176.438 175.800 -0.534 0.000 1.097 123 F CA 3.207 60.803 58.000 -0.673 0.000 1.264 123 F CB 0.035 38.236 39.000 -1.332 0.000 1.001 123 F HN 0.196 8.228 8.300 -0.446 0.000 0.479 124 L N -2.170 118.436 121.223 -1.029 0.000 2.141 124 L HA -0.469 nan 4.340 nan 0.000 0.209 124 L C 2.275 178.875 176.870 -0.449 0.000 1.094 124 L CA 3.012 57.240 54.840 -1.020 0.000 0.763 124 L CB -0.691 40.789 42.059 -0.965 0.000 0.908 124 L HN 0.216 8.029 8.230 -0.695 0.000 0.437 125 Q N -1.371 118.243 119.800 -0.311 0.000 2.170 125 Q HA -0.342 nan 4.340 nan 0.000 0.203 125 Q C 2.916 178.832 176.000 -0.140 0.000 0.976 125 Q CA 3.320 59.033 55.803 -0.148 0.000 0.858 125 Q CB -0.374 28.288 28.738 -0.128 0.000 0.907 125 Q HN -0.325 7.735 8.270 -0.350 0.000 0.433 126 G N -0.331 108.339 108.800 -0.218 0.000 2.404 126 G HA2 -0.295 nan 3.960 nan 0.000 0.214 126 G HA3 -0.295 nan 3.960 nan 0.000 0.214 126 G C 0.632 175.434 174.900 -0.163 0.000 1.189 126 G CA 1.543 46.545 45.100 -0.163 0.000 0.789 126 G HN -0.246 7.749 8.290 -0.309 0.110 0.533 127 Y N 3.380 123.425 120.300 -0.424 0.000 2.114 127 Y HA -0.481 nan 4.550 nan 0.000 0.282 127 Y C 1.564 177.401 175.900 -0.106 0.000 1.165 127 Y CA 3.708 61.610 58.100 -0.330 0.000 1.148 127 Y CB 0.350 38.405 38.460 -0.674 0.000 0.972 127 Y HN 0.141 8.144 8.280 -0.463 0.000 0.504 128 S N -1.540 114.251 115.700 0.151 0.000 2.414 128 S HA -0.251 nan 4.470 nan 0.000 0.227 128 S C 1.780 176.356 174.600 -0.039 0.000 1.022 128 S CA 2.545 60.799 58.200 0.090 0.000 0.958 128 S CB -0.057 63.231 63.200 0.147 0.000 0.797 128 S HN -0.221 8.192 8.310 0.173 0.000 0.493 129 A N 1.365 124.154 122.820 -0.051 0.000 1.969 129 A HA -0.122 nan 4.320 nan 0.000 0.218 129 A C 1.210 178.743 177.584 -0.086 0.000 1.169 129 A CA 2.206 54.205 52.037 -0.063 0.000 0.635 129 A CB 0.000 18.966 19.000 -0.057 0.000 0.810 129 A HN -0.425 7.699 8.150 -0.043 0.000 0.445 130 D N -3.078 117.248 120.400 -0.123 0.000 2.317 130 D HA -0.036 nan 4.640 nan 0.000 0.211 130 D C 0.189 176.388 176.300 -0.168 0.000 0.966 130 D CA 0.501 54.418 54.000 -0.139 0.000 0.876 130 D CB 0.821 41.524 40.800 -0.161 0.000 0.927 130 D HN -0.047 8.222 8.370 -0.135 0.020 0.519 131 G N -2.618 106.064 108.800 -0.196 0.000 2.198 131 G HA2 -0.417 nan 3.960 nan 0.000 0.257 131 G HA3 -0.417 nan 3.960 nan 0.000 0.257 131 G C 0.849 175.602 174.900 -0.245 0.000 1.042 131 G CA 0.806 45.799 45.100 -0.178 0.000 0.791 131 G HN -0.865 7.142 8.290 -0.185 0.173 0.502 132 Q N -0.437 119.080 119.800 -0.471 0.000 2.488 132 Q HA -0.253 nan 4.340 nan 0.000 0.211 132 Q C 1.726 177.554 176.000 -0.286 0.000 0.967 132 Q CA 2.178 57.699 55.803 -0.471 0.000 0.926 132 Q CB -0.035 28.242 28.738 -0.768 0.000 0.992 132 Q HN -0.513 7.368 8.270 -0.650 0.000 0.506 133 I N -2.696 117.784 120.570 -0.150 0.000 2.756 133 I HA -0.276 nan 4.170 nan 0.000 0.262 133 I C 1.289 177.429 176.117 0.038 0.000 1.225 133 I CA 1.500 62.848 61.300 0.079 0.000 1.472 133 I CB -1.337 36.727 38.000 0.107 0.000 1.094 133 I HN -0.066 7.988 8.210 -0.218 0.025 0.454 134 R N 1.050 121.540 120.500 -0.017 0.000 2.200 134 R HA -0.309 nan 4.340 nan 0.000 0.234 134 R C 1.036 177.348 176.300 0.020 0.000 1.127 134 R CA 2.731 58.830 56.100 -0.002 0.000 0.989 134 R CB -0.483 29.802 30.300 -0.025 0.000 0.869 134 R HN -0.349 7.835 8.270 -0.066 0.047 0.459 135 A N -2.803 120.031 122.820 0.023 0.000 2.308 135 A HA 0.140 nan 4.320 nan 0.000 0.217 135 A C -0.644 176.986 177.584 0.078 0.000 1.216 135 A CA -0.587 51.472 52.037 0.037 0.000 0.864 135 A CB 0.489 19.500 19.000 0.018 0.000 0.902 135 A HN -0.582 7.533 8.150 0.008 0.040 0.499 136 M N 0.231 119.900 119.600 0.116 0.000 2.235 136 M HA -0.118 nan 4.480 nan 0.000 0.351 136 M C -1.391 175.022 176.300 0.189 0.000 1.178 136 M CA 0.168 55.574 55.300 0.175 0.000 1.143 136 M CB 1.409 34.147 32.600 0.231 0.000 1.530 136 M HN -0.454 7.725 8.290 0.105 0.173 0.461 137 N N 5.539 124.385 118.700 0.244 0.000 2.468 137 N HA 0.079 nan 4.740 nan 0.000 0.265 137 N C -0.721 174.953 175.510 0.274 0.000 1.199 137 N CA -0.437 52.778 53.050 0.275 0.000 0.928 137 N CB 1.381 40.120 38.487 0.420 0.000 1.059 137 N HN 0.106 8.642 8.380 0.259 0.000 0.467 138 P HA -0.189 nan 4.420 nan 0.000 0.215 138 P C 1.196 178.600 177.300 0.174 0.000 1.153 138 P CA 2.363 65.569 63.100 0.177 0.000 0.853 138 P CB 0.374 32.154 31.700 0.133 0.000 0.788 139 T N 0.571 115.227 114.554 0.171 0.000 2.674 139 T HA -0.259 nan 4.350 nan 0.000 0.265 139 T C 1.655 176.418 174.700 0.105 0.000 1.039 139 T CA 4.884 67.061 62.100 0.128 0.000 1.150 139 T CB -0.401 68.547 68.868 0.133 0.000 0.864 139 T HN -0.209 8.280 8.240 0.188 -0.136 0.427 140 W N 1.690 122.950 121.300 -0.066 0.000 2.317 140 W HA -0.523 nan 4.660 nan 0.000 0.318 140 W C 1.087 177.640 176.519 0.057 0.000 1.227 140 W CA 3.273 60.529 57.345 -0.148 0.000 1.269 140 W CB 0.150 29.478 29.460 -0.221 0.000 1.155 140 W HN -0.091 8.606 8.180 0.279 -0.350 0.484 141 R N -2.138 118.474 120.500 0.188 0.000 2.096 141 R HA -0.480 nan 4.340 nan 0.000 0.229 141 R C 1.966 178.377 176.300 0.185 0.000 1.134 141 R CA 3.968 60.176 56.100 0.180 0.000 0.917 141 R CB 0.005 30.454 30.300 0.249 0.000 0.832 141 R HN -0.460 8.008 8.270 0.330 0.000 0.430 142 T N -0.586 114.077 114.554 0.181 0.000 3.072 142 T HA -0.024 nan 4.350 nan 0.000 0.266 142 T C 1.678 176.375 174.700 -0.006 0.000 1.127 142 T CA 2.884 65.055 62.100 0.118 0.000 1.107 142 T CB -0.513 68.412 68.868 0.095 0.000 0.910 142 T HN -0.074 8.272 8.240 0.176 0.000 0.513 143 S N 0.936 116.628 115.700 -0.013 0.000 2.694 143 S HA 0.199 nan 4.470 nan 0.000 0.225 143 S C 1.573 176.152 174.600 -0.036 0.000 1.012 143 S CA 2.995 61.178 58.200 -0.028 0.000 0.896 143 S CB 1.128 64.352 63.200 0.041 0.000 0.838 143 S HN 0.073 8.351 8.310 -0.003 0.030 0.604 144 S N 4.152 119.784 115.700 -0.112 0.000 2.368 144 S HA -0.210 nan 4.470 nan 0.000 0.224 144 S C 1.806 176.341 174.600 -0.109 0.000 1.029 144 S CA 3.962 62.109 58.200 -0.088 0.000 0.988 144 S CB -0.180 62.553 63.200 -0.779 0.000 0.838 144 S HN -0.477 7.699 8.310 -0.224 0.000 0.462 145 C N 1.805 120.923 119.300 -0.303 0.000 2.489 145 C HA -0.264 nan 4.460 nan 0.000 0.279 145 C C 1.690 176.771 174.990 0.152 0.000 1.266 145 C CA 4.885 63.879 59.018 -0.040 0.000 1.707 145 C CB -1.278 26.434 27.740 -0.047 0.000 2.059 145 C HN 0.282 8.220 8.230 -0.487 0.000 0.481 146 N N -1.392 117.386 118.700 0.130 0.000 2.084 146 N HA -0.323 nan 4.740 nan 0.000 0.190 146 N C 1.628 177.116 175.510 -0.036 0.000 1.030 146 N CA 3.347 56.441 53.050 0.074 0.000 0.849 146 N CB 0.332 38.726 38.487 -0.154 0.000 1.012 146 N HN -0.309 8.140 8.380 0.115 0.000 0.423 147 R N -2.880 117.542 120.500 -0.129 0.000 2.103 147 R HA -0.019 nan 4.340 nan 0.000 0.212 147 R C 2.250 178.413 176.300 -0.228 0.000 1.107 147 R CA 2.836 58.773 56.100 -0.273 0.000 1.025 147 R CB 1.030 31.012 30.300 -0.529 0.000 0.929 147 R HN -0.214 7.978 8.270 -0.130 0.000 0.456 148 Y N -1.623 118.814 120.300 0.228 0.000 2.347 148 Y HA -0.135 nan 4.550 nan 0.000 0.294 148 Y C 1.990 178.169 175.900 0.465 0.000 1.117 148 Y CA 2.703 61.069 58.100 0.443 0.000 1.184 148 Y CB 0.353 39.074 38.460 0.435 0.000 1.047 148 Y HN -0.422 7.743 8.280 -0.015 0.106 0.546 149 W N 0.587 121.907 121.300 0.034 0.000 2.409 149 W HA -0.303 nan 4.660 nan 0.000 0.299 149 W C 1.720 178.200 176.519 -0.065 0.000 1.203 149 W CA 1.958 59.086 57.345 -0.362 0.000 1.298 149 W CB 1.005 30.166 29.460 -0.499 0.000 1.127 149 W HN 0.491 8.891 8.180 0.367 0.000 0.528 150 G N -2.787 106.008 108.800 -0.009 0.000 2.476 150 G HA2 -0.516 nan 3.960 nan 0.000 0.218 150 G HA3 -0.516 nan 3.960 nan 0.000 0.218 150 G C 1.092 175.961 174.900 -0.052 0.000 1.164 150 G CA 2.084 47.129 45.100 -0.092 0.000 0.768 150 G HN -0.355 8.010 8.290 0.126 0.000 0.560 151 A N 1.780 124.654 122.820 0.090 0.000 1.978 151 A HA -0.194 nan 4.320 nan 0.000 0.220 151 A C 1.845 179.363 177.584 -0.111 0.000 1.170 151 A CA 2.400 54.517 52.037 0.134 0.000 0.636 151 A CB -0.663 18.495 19.000 0.263 0.000 0.810 151 A HN -0.135 7.988 8.150 0.132 0.106 0.448 152 F N -0.149 119.591 119.950 -0.350 0.000 2.333 152 F HA -0.264 nan 4.527 nan 0.000 0.300 152 F C 0.709 176.174 175.800 -0.558 0.000 1.083 152 F CA 1.561 59.287 58.000 -0.456 0.000 1.395 152 F CB 0.339 39.131 39.000 -0.347 0.000 1.056 152 F HN -0.679 7.530 8.300 0.063 0.129 0.529 153 L N -0.457 120.388 121.223 -0.630 0.000 2.013 153 L HA -0.502 nan 4.340 nan 0.000 0.212 153 L C 1.137 177.504 176.870 -0.838 0.000 1.073 153 L CA 3.482 57.869 54.840 -0.754 0.000 0.753 153 L CB -0.486 41.112 42.059 -0.768 0.000 0.890 153 L HN -0.129 7.670 8.230 -0.481 0.142 0.432 154 F N -3.925 115.515 119.950 -0.851 0.000 2.216 154 F HA -0.350 nan 4.527 nan 0.000 0.300 154 F C 2.118 177.213 175.800 -1.174 0.000 1.085 154 F CA 4.096 61.480 58.000 -1.027 0.000 1.326 154 F CB -0.841 37.189 39.000 -1.616 0.000 1.027 154 F HN -0.481 7.458 8.300 -0.583 0.011 0.497 155 N N -0.429 117.530 118.700 -1.236 0.000 2.188 155 N HA -0.301 nan 4.740 nan 0.000 0.184 155 N C 1.878 177.100 175.510 -0.479 0.000 1.018 155 N CA 3.583 56.199 53.050 -0.725 0.000 0.858 155 N CB -0.066 38.081 38.487 -0.566 0.000 0.989 155 N HN -0.388 7.099 8.380 -1.270 0.130 0.426 156 E N -0.217 119.601 120.200 -0.635 0.000 2.107 156 E HA -0.242 nan 4.350 nan 0.000 0.191 156 E C 2.238 178.708 176.600 -0.217 0.000 0.982 156 E CA 2.413 58.579 56.400 -0.390 0.000 0.809 156 E CB -0.389 29.060 29.700 -0.418 0.000 0.756 156 E HN -0.507 7.245 8.360 -0.870 0.086 0.459 157 Y N 1.071 121.147 120.300 -0.373 0.000 2.145 157 Y HA -0.402 nan 4.550 nan 0.000 0.286 157 Y C 1.719 177.506 175.900 -0.188 0.000 1.145 157 Y CA 3.246 61.211 58.100 -0.225 0.000 1.148 157 Y CB -0.126 38.131 38.460 -0.338 0.000 0.981 157 Y HN 0.363 8.462 8.280 -0.301 0.000 0.507 158 G N -1.187 107.445 108.800 -0.281 0.000 2.476 158 G HA2 -0.438 nan 3.960 nan 0.000 0.218 158 G HA3 -0.438 nan 3.960 nan 0.000 0.218 158 G C 1.156 175.824 174.900 -0.388 0.000 1.164 158 G CA 2.306 47.219 45.100 -0.311 0.000 0.768 158 G HN 0.091 8.282 8.290 -0.165 0.000 0.560 159 L N 1.484 122.587 121.223 -0.199 0.000 2.083 159 L HA -0.234 nan 4.340 nan 0.000 0.209 159 L C 2.024 178.862 176.870 -0.053 0.000 1.083 159 L CA 1.949 56.718 54.840 -0.119 0.000 0.752 159 L CB -0.853 41.195 42.059 -0.018 0.000 0.899 159 L HN -0.194 7.945 8.230 -0.152 0.000 0.433 160 F N 0.748 120.561 119.950 -0.228 0.000 2.069 160 F HA -0.533 nan 4.527 nan 0.000 0.298 160 F C 1.884 177.502 175.800 -0.303 0.000 1.113 160 F CA 3.625 61.497 58.000 -0.213 0.000 1.214 160 F CB -0.476 38.320 39.000 -0.340 0.000 0.978 160 F HN 0.123 8.310 8.300 -0.056 0.080 0.474 161 N N 0.029 117.898 118.700 -1.385 0.000 2.309 161 N HA -0.360 nan 4.740 nan 0.000 0.182 161 N C 2.251 177.050 175.510 -1.185 0.000 1.018 161 N CA 3.556 55.580 53.050 -1.709 0.000 0.876 161 N CB -0.176 36.831 38.487 -2.468 0.000 0.972 161 N HN 0.089 7.785 8.380 -1.141 0.000 0.434 162 A N -0.498 121.820 122.820 -0.836 0.000 2.084 162 A HA -0.271 nan 4.320 nan 0.000 0.221 162 A C 1.063 178.420 177.584 -0.378 0.000 1.161 162 A CA 2.432 54.218 52.037 -0.417 0.000 0.653 162 A CB -0.476 18.314 19.000 -0.350 0.000 0.802 162 A HN -0.109 7.535 8.150 -0.822 0.013 0.457 163 H N -3.742 115.145 119.070 -0.305 0.000 2.551 163 H HA -0.014 nan 4.556 nan 0.000 0.266 163 H C 2.097 177.325 175.328 -0.167 0.000 0.977 163 H CA 1.811 57.771 56.048 -0.147 0.000 1.163 163 H CB -0.533 29.186 29.762 -0.071 0.000 1.381 163 H HN -0.280 7.676 8.280 -0.253 0.172 0.581 164 S N 0.641 116.238 115.700 -0.173 0.000 2.368 164 S HA -0.398 nan 4.470 nan 0.000 0.225 164 S C 1.981 176.547 174.600 -0.057 0.000 1.030 164 S CA 4.169 62.296 58.200 -0.120 0.000 0.999 164 S CB -0.725 62.398 63.200 -0.129 0.000 0.844 164 S HN 0.245 8.225 8.310 -0.286 0.159 0.459 165 Q N 2.565 122.337 119.800 -0.047 0.000 2.123 165 Q HA -0.159 nan 4.340 nan 0.000 0.199 165 Q C 2.110 178.102 176.000 -0.014 0.000 0.966 165 Q CA 2.521 58.310 55.803 -0.024 0.000 0.845 165 Q CB -0.367 28.354 28.738 -0.028 0.000 0.907 165 Q HN 0.038 8.271 8.270 -0.061 0.000 0.439 166 G N -1.396 107.415 108.800 0.018 0.000 2.440 166 G HA2 -0.382 nan 3.960 nan 0.000 0.218 166 G HA3 -0.382 nan 3.960 nan 0.000 0.218 166 G C 0.784 175.589 174.900 -0.159 0.000 1.154 166 G CA 1.624 46.729 45.100 0.008 0.000 0.767 166 G HN 0.118 8.417 8.290 0.016 0.000 0.552 167 A N 1.154 123.926 122.820 -0.080 0.000 1.986 167 A HA -0.250 nan 4.320 nan 0.000 0.220 167 A C 1.958 179.484 177.584 -0.098 0.000 1.171 167 A CA 2.944 54.922 52.037 -0.099 0.000 0.640 167 A CB -0.463 18.509 19.000 -0.047 0.000 0.811 167 A HN 0.017 8.152 8.150 -0.024 0.000 0.451 168 R N -2.307 118.149 120.500 -0.074 0.000 2.140 168 R HA -0.049 nan 4.340 nan 0.000 0.213 168 R C 1.789 178.094 176.300 0.007 0.000 1.059 168 R CA 2.169 58.251 56.100 -0.029 0.000 1.000 168 R CB -0.004 30.279 30.300 -0.027 0.000 0.910 168 R HN -0.601 7.520 8.270 -0.068 0.108 0.455 169 E N -1.726 118.376 120.200 -0.165 0.000 2.452 169 E HA 0.046 nan 4.350 nan 0.000 0.197 169 E C -0.033 176.022 176.600 -0.909 0.000 1.022 169 E CA -0.659 55.572 56.400 -0.282 0.000 0.890 169 E CB 0.222 29.776 29.700 -0.243 0.000 0.918 169 E HN -0.038 8.116 8.360 -0.200 0.086 0.496 170 A N 1.040 123.130 122.820 -1.216 0.000 2.587 170 A HA -0.167 nan 4.320 nan 0.000 0.235 170 A C 0.317 177.104 177.584 -1.329 0.000 1.044 170 A CA 1.133 52.127 52.037 -1.739 0.000 0.754 170 A CB 0.243 18.616 19.000 -1.045 0.000 0.968 170 A HN 0.011 7.686 8.150 -0.792 0.000 0.509 171 L N 0.625 121.069 121.223 -1.299 0.000 2.611 171 L HA 0.072 nan 4.340 nan 0.000 0.229 171 L C -0.618 175.680 176.870 -0.952 0.000 1.137 171 L CA -0.799 53.390 54.840 -1.085 0.000 0.901 171 L CB -0.967 40.353 42.059 -1.231 0.000 1.098 171 L HN 0.465 7.797 8.230 -1.496 0.000 0.456 172 S N -4.776 110.431 115.700 -0.822 0.000 2.615 172 S HA 0.198 nan 4.470 nan 0.000 0.269 172 S C -0.133 174.183 174.600 -0.474 0.000 1.161 172 S CA -1.837 55.915 58.200 -0.746 0.000 0.817 172 S CB 2.575 65.270 63.200 -0.841 0.000 1.131 172 S HN -0.808 6.972 8.310 -0.793 0.055 0.467 173 D N 2.103 122.349 120.400 -0.257 0.000 2.097 173 D HA -0.229 nan 4.640 nan 0.000 0.197 173 D C 1.627 177.817 176.300 -0.183 0.000 0.984 173 D CA 2.914 56.803 54.000 -0.184 0.000 0.826 173 D CB -0.909 39.846 40.800 -0.075 0.000 0.973 173 D HN 0.387 8.680 8.370 -0.128 0.000 0.460 174 V N -5.721 114.122 119.914 -0.118 0.000 2.407 174 V HA -0.174 nan 4.120 nan 0.000 0.248 174 V C 2.060 178.156 176.094 0.003 0.000 1.055 174 V CA 3.210 65.483 62.300 -0.045 0.000 1.049 174 V CB -1.311 30.519 31.823 0.012 0.000 0.662 174 V HN -0.006 8.139 8.190 -0.076 0.000 0.455 175 T N -0.799 113.712 114.554 -0.071 0.000 2.812 175 T HA -0.288 nan 4.350 nan 0.000 0.264 175 T C 1.577 176.088 174.700 -0.315 0.000 1.042 175 T CA 3.550 65.557 62.100 -0.154 0.000 1.140 175 T CB -0.419 68.395 68.868 -0.089 0.000 0.870 175 T HN -0.477 7.684 8.240 -0.133 0.000 0.445 176 R N 2.370 122.650 120.500 -0.365 0.000 2.083 176 R HA -0.351 nan 4.340 nan 0.000 0.237 176 R C 1.806 177.853 176.300 -0.422 0.000 1.137 176 R CA 3.425 59.294 56.100 -0.384 0.000 0.951 176 R CB -0.220 29.864 30.300 -0.359 0.000 0.851 176 R HN -0.115 7.929 8.270 -0.376 0.000 0.434 177 V N -0.798 118.853 119.914 -0.437 0.000 2.453 177 V HA -0.310 nan 4.120 nan 0.000 0.247 177 V C 2.249 177.829 176.094 -0.856 0.000 1.048 177 V CA 4.184 66.081 62.300 -0.672 0.000 1.049 177 V CB -0.959 30.574 31.823 -0.483 0.000 0.672 177 V HN 0.202 8.188 8.190 -0.340 0.000 0.457 178 S N 0.415 115.741 115.700 -0.623 0.000 2.356 178 S HA -0.287 nan 4.470 nan 0.000 0.223 178 S C 2.102 175.848 174.600 -1.423 0.000 1.032 178 S CA 4.229 61.904 58.200 -0.876 0.000 1.005 178 S CB -0.430 62.355 63.200 -0.692 0.000 0.867 178 S HN -0.543 7.514 8.310 -0.422 0.000 0.449 179 L N 0.468 121.077 121.223 -1.023 0.000 2.042 179 L HA -0.392 nan 4.340 nan 0.000 0.210 179 L C 1.944 178.686 176.870 -0.214 0.000 1.076 179 L CA 3.276 57.803 54.840 -0.521 0.000 0.749 179 L CB -0.473 41.487 42.059 -0.165 0.000 0.893 179 L HN 0.075 7.840 8.230 -0.775 0.000 0.432 180 A N -0.476 122.154 122.820 -0.317 0.000 1.877 180 A HA -0.283 nan 4.320 nan 0.000 0.216 180 A C 2.098 179.648 177.584 -0.057 0.000 1.186 180 A CA 3.224 55.149 52.037 -0.185 0.000 0.620 180 A CB -0.823 17.998 19.000 -0.299 0.000 0.822 180 A HN 0.025 7.909 8.150 -0.443 0.000 0.443 181 F N -2.857 116.878 119.950 -0.358 0.000 2.186 181 F HA -0.186 nan 4.527 nan 0.000 0.299 181 F C 1.958 177.741 175.800 -0.027 0.000 1.090 181 F CA 1.071 58.822 58.000 -0.415 0.000 1.307 181 F CB -1.147 37.437 39.000 -0.693 0.000 1.019 181 F HN -0.372 7.586 8.300 -0.569 0.000 0.489 182 W N -1.649 119.685 121.300 0.055 0.000 2.338 182 W HA -0.253 nan 4.660 nan 0.000 0.304 182 W C 2.808 179.239 176.519 -0.146 0.000 1.212 182 W CA 1.711 59.054 57.345 -0.004 0.000 1.264 182 W CB -1.367 28.099 29.460 0.011 0.000 1.142 182 W HN 0.537 8.662 8.180 -0.091 0.000 0.512 183 G N -2.150 106.549 108.800 -0.168 0.000 2.403 183 G HA2 -0.319 nan 3.960 nan 0.000 0.216 183 G HA3 -0.319 nan 3.960 nan 0.000 0.216 183 G C 0.666 175.664 174.900 0.163 0.000 1.154 183 G CA 1.517 46.415 45.100 -0.336 0.000 0.784 183 G HN -0.187 7.965 8.290 -0.062 0.101 0.538 184 F N 2.074 122.065 119.950 0.069 0.000 2.259 184 F HA -0.204 nan 4.527 nan 0.000 0.298 184 F C 1.060 176.875 175.800 0.024 0.000 1.088 184 F CA 2.670 60.708 58.000 0.063 0.000 1.358 184 F CB 0.510 39.584 39.000 0.123 0.000 1.040 184 F HN 0.034 8.533 8.300 0.331 0.000 0.505 185 D N -1.461 119.035 120.400 0.160 0.000 2.219 185 D HA -0.213 nan 4.640 nan 0.000 0.205 185 D C 2.315 178.672 176.300 0.096 0.000 0.970 185 D CA 3.457 57.489 54.000 0.053 0.000 0.851 185 D CB -0.639 40.214 40.800 0.089 0.000 0.943 185 D HN -0.112 8.424 8.370 0.276 0.000 0.488 186 K N -0.337 120.112 120.400 0.083 0.000 2.062 186 K HA -0.156 nan 4.320 nan 0.000 0.205 186 K C 2.395 178.942 176.600 -0.088 0.000 1.051 186 K CA 2.346 58.669 56.287 0.060 0.000 0.941 186 K CB -0.141 32.427 32.500 0.113 0.000 0.719 186 K HN -0.542 7.624 8.250 0.097 0.143 0.440 187 I N 0.265 120.674 120.570 -0.267 0.000 2.493 187 I HA -0.409 nan 4.170 nan 0.000 0.254 187 I C 0.738 176.591 176.117 -0.439 0.000 1.160 187 I CA 2.893 63.874 61.300 -0.532 0.000 1.445 187 I CB -0.047 37.230 38.000 -1.204 0.000 1.086 187 I HN -0.452 7.627 8.210 -0.218 0.000 0.433 188 D N 0.970 121.132 120.400 -0.397 0.000 2.084 188 D HA -0.297 nan 4.640 nan 0.000 0.194 188 D C 2.381 178.596 176.300 -0.142 0.000 0.990 188 D CA 3.454 57.270 54.000 -0.306 0.000 0.826 188 D CB -0.182 40.483 40.800 -0.226 0.000 0.971 188 D HN -0.538 7.587 8.370 -0.409 0.000 0.453 189 I N -0.477 120.073 120.570 -0.033 0.000 2.208 189 I HA -0.555 nan 4.170 nan 0.000 0.245 189 I C 1.617 177.637 176.117 -0.161 0.000 1.097 189 I CA 3.846 65.136 61.300 -0.017 0.000 1.363 189 I CB -0.179 37.855 38.000 0.056 0.000 1.051 189 I HN -0.479 7.741 8.210 0.016 0.000 0.413 190 A N -1.262 121.412 122.820 -0.243 0.000 1.902 190 A HA -0.397 nan 4.320 nan 0.000 0.217 190 A C 2.148 179.515 177.584 -0.360 0.000 1.181 190 A CA 3.304 55.128 52.037 -0.355 0.000 0.623 190 A CB -0.942 17.851 19.000 -0.346 0.000 0.818 190 A HN -0.381 7.639 8.150 -0.217 0.000 0.443 191 Q N -2.108 117.502 119.800 -0.316 0.000 2.291 191 Q HA -0.275 nan 4.340 nan 0.000 0.205 191 Q C 2.706 178.561 176.000 -0.242 0.000 0.970 191 Q CA 2.757 58.385 55.803 -0.293 0.000 0.876 191 Q CB -0.114 28.442 28.738 -0.304 0.000 0.935 191 Q HN -0.017 8.067 8.270 -0.309 0.000 0.455 192 M N -0.183 119.292 119.600 -0.209 0.000 2.288 192 M HA -0.177 nan 4.480 nan 0.000 0.266 192 M C 2.223 178.298 176.300 -0.375 0.000 1.072 192 M CA 1.255 56.425 55.300 -0.217 0.000 1.132 192 M CB -0.965 31.633 32.600 -0.003 0.000 1.386 192 M HN -0.080 7.965 8.290 -0.190 0.131 0.432 193 I N 0.503 120.885 120.570 -0.313 0.000 2.179 193 I HA -0.606 nan 4.170 nan 0.000 0.242 193 I C 1.845 177.791 176.117 -0.284 0.000 1.088 193 I CA 4.337 65.426 61.300 -0.352 0.000 1.357 193 I CB -0.549 37.076 38.000 -0.625 0.000 1.051 193 I HN -0.080 7.953 8.210 -0.294 0.000 0.409 194 Q N -0.750 118.878 119.800 -0.286 0.000 2.124 194 Q HA -0.281 nan 4.340 nan 0.000 0.202 194 Q C 2.254 178.169 176.000 -0.141 0.000 0.977 194 Q CA 2.555 58.237 55.803 -0.201 0.000 0.850 194 Q CB -0.500 28.098 28.738 -0.233 0.000 0.901 194 Q HN -0.607 7.463 8.270 -0.332 0.000 0.429 195 L N 0.091 121.207 121.223 -0.178 0.000 2.012 195 L HA -0.436 nan 4.340 nan 0.000 0.210 195 L C 1.332 178.133 176.870 -0.115 0.000 1.073 195 L CA 3.652 58.425 54.840 -0.111 0.000 0.748 195 L CB -0.217 41.787 42.059 -0.091 0.000 0.891 195 L HN 0.023 7.940 8.230 -0.223 0.179 0.431 196 E N -1.061 118.949 120.200 -0.316 0.000 2.058 196 E HA -0.486 nan 4.350 nan 0.000 0.194 196 E C 2.199 178.808 176.600 0.016 0.000 0.997 196 E CA 3.659 59.948 56.400 -0.186 0.000 0.801 196 E CB -0.274 29.226 29.700 -0.334 0.000 0.746 196 E HN -0.139 7.921 8.360 -0.499 0.000 0.450 197 R N -2.004 118.513 120.500 0.030 0.000 2.081 197 R HA -0.302 nan 4.340 nan 0.000 0.235 197 R C 2.781 179.148 176.300 0.113 0.000 1.131 197 R CA 2.886 59.072 56.100 0.143 0.000 0.960 197 R CB -0.166 30.276 30.300 0.237 0.000 0.856 197 R HN -0.462 7.798 8.270 -0.017 0.000 0.436 198 G N -1.105 107.743 108.800 0.080 0.000 2.422 198 G HA2 -0.273 nan 3.960 nan 0.000 0.218 198 G HA3 -0.273 nan 3.960 nan 0.000 0.218 198 G C 0.951 175.896 174.900 0.074 0.000 1.146 198 G CA 1.780 46.927 45.100 0.078 0.000 0.769 198 G HN 0.195 8.513 8.290 0.046 0.000 0.547 199 F N 3.314 123.220 119.950 -0.074 0.000 2.084 199 F HA -0.270 nan 4.527 nan 0.000 0.296 199 F C 1.136 176.845 175.800 -0.151 0.000 1.111 199 F CA 2.264 60.213 58.000 -0.085 0.000 1.224 199 F CB 0.343 39.305 39.000 -0.063 0.000 0.991 199 F HN -0.089 8.246 8.300 0.196 0.083 0.471 200 L N -2.053 118.961 121.223 -0.348 0.000 2.127 200 L HA -0.525 nan 4.340 nan 0.000 0.211 200 L C 1.930 178.440 176.870 -0.600 0.000 1.089 200 L CA 3.105 57.534 54.840 -0.685 0.000 0.757 200 L CB -0.537 40.803 42.059 -1.199 0.000 0.899 200 L HN 0.210 8.368 8.230 -0.120 0.000 0.434 201 A N -2.826 119.824 122.820 -0.284 0.000 2.067 201 A HA -0.259 nan 4.320 nan 0.000 0.219 201 A C 1.177 178.725 177.584 -0.061 0.000 1.158 201 A CA 2.751 54.805 52.037 0.028 0.000 0.661 201 A CB -0.802 18.292 19.000 0.157 0.000 0.801 201 A HN -0.153 7.770 8.150 -0.217 0.097 0.452 202 K N -2.917 117.382 120.400 -0.168 0.000 2.211 202 K HA -0.120 nan 4.320 nan 0.000 0.201 202 K C 1.279 177.748 176.600 -0.218 0.000 1.052 202 K CA 1.927 58.117 56.287 -0.162 0.000 0.973 202 K CB 0.373 32.778 32.500 -0.159 0.000 0.766 202 K HN -0.413 7.556 8.250 -0.226 0.146 0.466 203 I N -2.111 118.245 120.570 -0.356 0.000 3.228 203 I HA -0.109 nan 4.170 nan 0.000 0.279 203 I C -0.483 175.521 176.117 -0.189 0.000 1.221 203 I CA 0.563 61.666 61.300 -0.328 0.000 1.458 203 I CB 1.753 39.388 38.000 -0.609 0.000 1.105 203 I HN -0.659 7.179 8.210 -0.455 0.099 0.445 204 V N 1.908 121.729 119.914 -0.156 0.000 2.376 204 V HA 0.426 nan 4.120 nan 0.000 0.287 204 V C -2.223 173.887 176.094 0.026 0.000 1.015 204 V CA -3.590 58.680 62.300 -0.050 0.000 0.834 204 V CB 2.373 34.168 31.823 -0.047 0.000 1.001 204 V HN -0.023 8.054 8.190 -0.190 0.000 0.428 205 P HA -0.049 nan 4.420 nan 0.000 0.262 205 P C 0.296 177.635 177.300 0.065 0.000 1.199 205 P CA 0.867 63.986 63.100 0.033 0.000 0.763 205 P CB -0.074 31.636 31.700 0.016 0.000 0.790 206 G N 2.795 111.636 108.800 0.068 0.000 2.176 206 G HA2 -0.347 nan 3.960 nan 0.000 0.253 206 G HA3 -0.347 nan 3.960 nan 0.000 0.253 206 G C -0.627 174.325 174.900 0.087 0.000 0.979 206 G CA -0.281 44.855 45.100 0.059 0.000 0.641 206 G HN 0.115 8.444 8.290 0.065 0.000 0.530 207 F N 2.071 122.011 119.950 -0.016 0.000 2.529 207 F HA -0.192 nan 4.527 nan 0.000 0.365 207 F C -1.198 174.593 175.800 -0.016 0.000 1.102 207 F CA 1.196 59.188 58.000 -0.013 0.000 1.271 207 F CB 1.029 40.020 39.000 -0.015 0.000 1.120 207 F HN -0.658 7.728 8.300 0.247 0.062 0.579 208 D N 6.450 126.692 120.400 -0.263 0.000 2.344 208 D HA 0.137 nan 4.640 nan 0.000 0.239 208 D C -0.624 175.621 176.300 -0.092 0.000 1.064 208 D CA -1.517 52.416 54.000 -0.111 0.000 0.829 208 D CB 1.913 42.623 40.800 -0.150 0.000 1.129 208 D HN 0.175 8.081 8.370 -0.773 0.000 0.506 209 E N 2.385 122.640 120.200 0.092 0.000 2.435 209 E HA -0.109 nan 4.350 nan 0.000 0.195 209 E C 0.704 177.324 176.600 0.033 0.000 1.029 209 E CA 0.172 56.650 56.400 0.130 0.000 0.865 209 E CB -0.096 29.684 29.700 0.133 0.000 0.833 209 E HN 0.319 8.741 8.360 0.103 0.000 0.510 210 S N 0.683 116.379 115.700 -0.006 0.000 2.558 210 S HA -0.184 nan 4.470 nan 0.000 0.291 210 S C 0.972 175.562 174.600 -0.017 0.000 1.306 210 S CA -0.163 58.027 58.200 -0.017 0.000 1.056 210 S CB 0.858 64.042 63.200 -0.027 0.000 0.836 210 S HN -0.618 7.892 8.310 -0.014 -0.208 0.504 211 T N 1.456 116.011 114.554 0.002 0.000 3.113 211 T HA 0.115 nan 4.350 nan 0.000 0.256 211 T C 1.335 176.063 174.700 0.046 0.000 1.131 211 T CA 0.758 62.885 62.100 0.046 0.000 1.074 211 T CB -0.531 68.388 68.868 0.086 0.000 0.944 211 T HN 0.347 8.587 8.240 -0.000 0.000 0.516 212 A N 1.597 124.418 122.820 0.002 0.000 1.892 212 A HA -0.308 nan 4.320 nan 0.000 0.218 212 A C 1.312 178.873 177.584 -0.038 0.000 1.188 212 A CA 3.283 55.309 52.037 -0.018 0.000 0.631 212 A CB -0.762 18.222 19.000 -0.027 0.000 0.822 212 A HN -0.397 7.698 8.150 -0.007 0.052 0.447 213 V N -1.612 118.270 119.914 -0.054 0.000 2.270 213 V HA -0.190 nan 4.120 nan 0.000 0.245 213 V C -0.361 175.695 176.094 -0.064 0.000 1.043 213 V CA 5.624 67.880 62.300 -0.075 0.000 1.014 213 V CB -2.658 29.097 31.823 -0.112 0.000 0.645 213 V HN 0.460 8.614 8.190 -0.060 0.000 0.447 214 P HA -0.215 nan 4.420 nan 0.000 0.218 214 P C 1.524 178.800 177.300 -0.040 0.000 1.149 214 P CA 2.678 65.791 63.100 0.023 0.000 0.817 214 P CB -0.570 31.192 31.700 0.103 0.000 0.785 215 K N -1.008 119.315 120.400 -0.128 0.000 2.057 215 K HA -0.265 nan 4.320 nan 0.000 0.206 215 K C 1.884 178.338 176.600 -0.244 0.000 1.050 215 K CA 3.175 59.164 56.287 -0.497 0.000 0.935 215 K CB -0.116 32.218 32.500 -0.276 0.000 0.715 215 K HN 0.223 8.450 8.250 -0.011 0.016 0.439 216 A N -1.481 121.271 122.820 -0.114 0.000 1.969 216 A HA -0.203 nan 4.320 nan 0.000 0.218 216 A C 2.117 179.682 177.584 -0.031 0.000 1.169 216 A CA 3.124 55.121 52.037 -0.066 0.000 0.635 216 A CB -0.935 18.035 19.000 -0.049 0.000 0.810 216 A HN 0.110 8.205 8.150 -0.093 0.000 0.445 217 E N -0.368 119.830 120.200 -0.004 0.000 2.106 217 E HA -0.238 nan 4.350 nan 0.000 0.192 217 E C 2.266 178.977 176.600 0.185 0.000 0.984 217 E CA 2.595 59.049 56.400 0.090 0.000 0.806 217 E CB -0.138 29.620 29.700 0.096 0.000 0.750 217 E HN -0.307 7.958 8.360 -0.031 0.076 0.458 218 W N -0.349 120.886 121.300 -0.107 0.000 2.443 218 W HA -0.102 nan 4.660 nan 0.000 0.296 218 W C 1.204 177.665 176.519 -0.097 0.000 1.202 218 W CA 2.825 60.096 57.345 -0.124 0.000 1.312 218 W CB 1.110 30.321 29.460 -0.415 0.000 1.120 218 W HN 0.081 8.211 8.180 0.071 0.093 0.536 219 T N -5.269 109.214 114.554 -0.117 0.000 3.054 219 T HA -0.093 nan 4.350 nan 0.000 0.259 219 T C 1.432 176.050 174.700 -0.137 0.000 1.092 219 T CA 2.309 64.302 62.100 -0.178 0.000 1.121 219 T CB -0.216 68.603 68.868 -0.081 0.000 0.912 219 T HN 0.243 8.447 8.240 -0.061 0.000 0.489 220 N N -1.356 117.298 118.700 -0.077 0.000 2.113 220 N HA 0.186 nan 4.740 nan 0.000 0.223 220 N C 0.108 175.608 175.510 -0.017 0.000 1.310 220 N CA 0.279 53.299 53.050 -0.049 0.000 0.896 220 N CB 2.714 41.180 38.487 -0.035 0.000 1.097 220 N HN 0.221 8.570 8.380 -0.052 0.000 0.507 221 G N 0.570 109.381 108.800 0.019 0.000 2.621 221 G HA2 0.059 nan 3.960 nan 0.000 0.271 221 G HA3 0.059 nan 3.960 nan 0.000 0.271 221 G C -0.694 174.235 174.900 0.048 0.000 1.236 221 G CA -0.757 44.381 45.100 0.063 0.000 0.958 221 G HN -0.654 7.555 8.290 0.022 0.094 0.512 222 E N -1.648 118.583 120.200 0.052 0.000 2.340 222 E HA 0.169 nan 4.350 nan 0.000 0.198 222 E C 2.444 179.056 176.600 0.020 0.000 0.961 222 E CA 1.535 57.948 56.400 0.022 0.000 0.905 222 E CB 0.084 29.787 29.700 0.006 0.000 0.884 222 E HN 0.256 8.655 8.360 0.066 0.000 0.491 223 V N 0.952 120.866 119.914 0.001 0.000 2.392 223 V HA -0.279 nan 4.120 nan 0.000 0.249 223 V C 0.648 176.723 176.094 -0.031 0.000 1.059 223 V CA 3.846 66.075 62.300 -0.119 0.000 1.051 223 V CB -0.350 31.280 31.823 -0.322 0.000 0.658 223 V HN -0.141 8.073 8.190 0.040 0.000 0.455 224 Y N -6.993 113.441 120.300 0.224 0.000 2.458 224 Y HA 0.139 nan 4.550 nan 0.000 0.256 224 Y C 0.259 176.110 175.900 -0.081 0.000 1.159 224 Y CA -0.974 57.253 58.100 0.213 0.000 1.261 224 Y CB -0.523 38.136 38.460 0.333 0.000 1.119 224 Y HN -0.216 8.191 8.280 0.238 0.016 0.524 225 K N 1.984 122.401 120.400 0.028 0.000 2.001 225 K HA -0.501 nan 4.320 nan 0.000 0.214 225 K C 1.937 178.468 176.600 -0.115 0.000 1.050 225 K CA 4.208 60.440 56.287 -0.092 0.000 0.934 225 K CB -0.422 32.045 32.500 -0.054 0.000 0.718 225 K HN -0.532 7.627 8.250 0.059 0.126 0.443 226 S N -1.474 114.195 115.700 -0.052 0.000 2.453 226 S HA -0.167 nan 4.470 nan 0.000 0.231 226 S C 1.636 176.179 174.600 -0.094 0.000 1.005 226 S CA 2.626 60.789 58.200 -0.061 0.000 0.949 226 S CB -0.819 62.367 63.200 -0.023 0.000 0.774 226 S HN -0.502 7.965 8.310 -0.009 -0.163 0.510 227 A N 2.753 125.511 122.820 -0.104 0.000 1.855 227 A HA -0.231 nan 4.320 nan 0.000 0.215 227 A C 1.553 179.100 177.584 -0.061 0.000 1.191 227 A CA 3.152 55.117 52.037 -0.120 0.000 0.613 227 A CB -0.712 18.315 19.000 0.044 0.000 0.829 227 A HN -0.641 7.376 8.150 -0.032 0.114 0.442 228 R N -0.992 119.295 120.500 -0.355 0.000 2.091 228 R HA -0.309 nan 4.340 nan 0.000 0.238 228 R C 2.375 178.566 176.300 -0.182 0.000 1.136 228 R CA 3.246 59.032 56.100 -0.523 0.000 0.959 228 R CB 0.009 29.600 30.300 -1.183 0.000 0.856 228 R HN -0.066 7.941 8.270 -0.438 0.000 0.437 229 L N -2.035 119.089 121.223 -0.165 0.000 2.083 229 L HA -0.275 nan 4.340 nan 0.000 0.209 229 L C 1.802 178.640 176.870 -0.054 0.000 1.083 229 L CA 2.899 57.686 54.840 -0.089 0.000 0.752 229 L CB -0.730 41.283 42.059 -0.078 0.000 0.899 229 L HN 0.013 8.124 8.230 -0.198 0.000 0.433 230 A N -0.384 122.375 122.820 -0.102 0.000 1.897 230 A HA -0.220 nan 4.320 nan 0.000 0.215 230 A C 2.297 179.719 177.584 -0.271 0.000 1.181 230 A CA 3.292 55.242 52.037 -0.146 0.000 0.620 230 A CB -0.756 18.032 19.000 -0.353 0.000 0.821 230 A HN -0.096 7.879 8.150 -0.124 0.100 0.443 231 V N -0.503 119.266 119.914 -0.241 0.000 2.343 231 V HA -0.547 nan 4.120 nan 0.000 0.247 231 V C 2.216 178.342 176.094 0.054 0.000 1.051 231 V CA 4.871 67.113 62.300 -0.098 0.000 1.036 231 V CB -1.024 30.912 31.823 0.188 0.000 0.654 231 V HN 0.350 8.437 8.190 -0.173 0.000 0.451 232 E N -1.054 119.195 120.200 0.082 0.000 2.118 232 E HA -0.397 nan 4.350 nan 0.000 0.195 232 E C 2.618 179.214 176.600 -0.006 0.000 0.992 232 E CA 3.338 59.772 56.400 0.056 0.000 0.804 232 E CB -0.347 29.357 29.700 0.006 0.000 0.741 232 E HN 0.261 8.658 8.360 0.061 0.000 0.458 233 G N -0.810 108.006 108.800 0.027 0.000 2.396 233 G HA2 -0.161 nan 3.960 nan 0.000 0.214 233 G HA3 -0.161 nan 3.960 nan 0.000 0.214 233 G C 1.275 176.212 174.900 0.063 0.000 1.166 233 G CA 1.571 46.741 45.100 0.117 0.000 0.793 233 G HN -0.389 7.810 8.290 0.022 0.103 0.533 234 L N 0.652 121.753 121.223 -0.204 0.000 2.093 234 L HA -0.312 nan 4.340 nan 0.000 0.208 234 L C 1.698 178.462 176.870 -0.177 0.000 1.085 234 L CA 2.579 57.139 54.840 -0.467 0.000 0.755 234 L CB -0.140 41.478 42.059 -0.735 0.000 0.904 234 L HN 0.188 8.280 8.230 -0.231 0.000 0.435 235 W N -1.257 119.881 121.300 -0.270 0.000 2.423 235 W HA -0.250 nan 4.660 nan 0.000 0.321 235 W C 1.733 178.119 176.519 -0.221 0.000 1.180 235 W CA 2.133 59.333 57.345 -0.242 0.000 1.322 235 W CB -0.050 29.293 29.460 -0.195 0.000 1.174 235 W HN -0.092 8.121 8.180 0.056 0.000 0.470 236 Q N -3.502 116.133 119.800 -0.274 0.000 2.360 236 Q HA 0.025 nan 4.340 nan 0.000 0.202 236 Q C 1.237 177.100 176.000 -0.227 0.000 0.915 236 Q CA 1.259 56.812 55.803 -0.417 0.000 0.943 236 Q CB 0.283 28.665 28.738 -0.593 0.000 1.064 236 Q HN -0.357 7.790 8.270 -0.204 0.000 0.511 237 E N -1.791 118.367 120.200 -0.070 0.000 2.511 237 E HA 0.088 nan 4.350 nan 0.000 0.209 237 E C -1.239 175.476 176.600 0.191 0.000 0.986 237 E CA 0.050 56.511 56.400 0.102 0.000 0.974 237 E CB 1.700 31.480 29.700 0.135 0.000 1.030 237 E HN -0.215 7.980 8.360 -0.054 0.133 0.490 238 V N 0.156 120.100 119.914 0.050 0.000 2.427 238 V HA 0.089 nan 4.120 nan 0.000 0.286 238 V C -0.804 175.284 176.094 -0.010 0.000 1.034 238 V CA -0.277 62.079 62.300 0.094 0.000 0.893 238 V CB 0.621 32.430 31.823 -0.023 0.000 0.982 238 V HN -0.655 7.488 8.190 -0.078 0.000 0.452 239 F N 3.399 123.351 119.950 0.003 0.000 2.706 239 F HA 0.079 nan 4.527 nan 0.000 0.313 239 F C -0.945 174.885 175.800 0.049 0.000 1.096 239 F CA -0.255 57.760 58.000 0.024 0.000 1.219 239 F CB 1.453 40.466 39.000 0.021 0.000 1.051 239 F HN 0.366 8.911 8.300 0.408 0.000 0.568 240 D N -0.070 120.419 120.400 0.149 0.000 2.329 240 D HA 0.090 nan 4.640 nan 0.000 0.232 240 D C 0.998 177.305 176.300 0.011 0.000 1.088 240 D CA -1.535 52.512 54.000 0.079 0.000 0.835 240 D CB 0.650 41.455 40.800 0.007 0.000 1.078 240 D HN -0.653 7.709 8.370 0.093 0.064 0.495 241 W N 5.282 126.582 121.300 -0.000 0.000 2.374 241 W HA -0.326 nan 4.660 nan 0.000 0.288 241 W C 0.289 176.820 176.519 0.021 0.000 1.218 241 W CA 2.465 59.797 57.345 -0.021 0.000 1.245 241 W CB -0.883 28.564 29.460 -0.021 0.000 1.126 241 W HN 0.074 8.505 8.180 0.419 0.000 0.545 242 N N 0.987 119.344 118.700 -0.571 0.000 2.354 242 N HA -0.185 nan 4.740 nan 0.000 0.179 242 N C 1.709 177.037 175.510 -0.302 0.000 1.021 242 N CA 3.404 56.273 53.050 -0.302 0.000 0.887 242 N CB -0.289 38.065 38.487 -0.222 0.000 0.974 242 N HN -0.372 7.561 8.380 -0.972 -0.136 0.437 243 E N 1.857 121.651 120.200 -0.676 0.000 2.072 243 E HA -0.278 nan 4.350 nan 0.000 0.191 243 E C 2.065 178.328 176.600 -0.562 0.000 0.985 243 E CA 3.371 59.048 56.400 -1.206 0.000 0.801 243 E CB 0.026 29.020 29.700 -1.177 0.000 0.750 243 E HN -0.586 7.571 8.360 -0.496 -0.095 0.452 244 S N 0.663 116.162 115.700 -0.335 0.000 2.345 244 S HA -0.346 nan 4.470 nan 0.000 0.220 244 S C 2.051 176.518 174.600 -0.220 0.000 1.031 244 S CA 3.102 61.125 58.200 -0.295 0.000 0.996 244 S CB -0.172 62.895 63.200 -0.222 0.000 0.882 244 S HN -0.188 7.964 8.310 -0.264 0.000 0.445 245 A N 1.710 124.516 122.820 -0.023 0.000 1.883 245 A HA -0.266 nan 4.320 nan 0.000 0.217 245 A C 1.693 179.345 177.584 0.114 0.000 1.186 245 A CA 2.907 55.067 52.037 0.204 0.000 0.624 245 A CB -0.761 18.572 19.000 0.556 0.000 0.822 245 A HN -0.434 7.733 8.150 0.027 0.000 0.444 246 F N -1.394 118.399 119.950 -0.262 0.000 2.102 246 F HA -0.398 nan 4.527 nan 0.000 0.298 246 F C 1.585 177.254 175.800 -0.218 0.000 1.105 246 F CA 3.242 60.959 58.000 -0.471 0.000 1.239 246 F CB 0.315 38.954 39.000 -0.602 0.000 0.991 246 F HN -0.055 8.242 8.300 -0.006 0.000 0.474 247 S N 0.155 115.698 115.700 -0.261 0.000 2.428 247 S HA -0.255 nan 4.470 nan 0.000 0.230 247 S C 1.853 176.201 174.600 -0.420 0.000 1.014 247 S CA 4.618 62.590 58.200 -0.381 0.000 0.957 247 S CB -0.045 62.829 63.200 -0.543 0.000 0.784 247 S HN -0.142 8.054 8.310 -0.191 0.000 0.499 248 V N 2.512 122.191 119.914 -0.391 0.000 2.379 248 V HA -0.370 nan 4.120 nan 0.000 0.245 248 V C 1.508 177.411 176.094 -0.319 0.000 1.044 248 V CA 5.091 67.180 62.300 -0.350 0.000 1.036 248 V CB -0.604 30.957 31.823 -0.436 0.000 0.664 248 V HN 0.503 8.478 8.190 -0.360 0.000 0.453 249 H N -1.736 117.215 119.070 -0.198 0.000 2.520 249 H HA 0.146 nan 4.556 nan 0.000 0.279 249 H C 1.134 176.247 175.328 -0.358 0.000 0.990 249 H CA 2.270 58.189 56.048 -0.216 0.000 1.288 249 H CB 0.838 30.440 29.762 -0.265 0.000 1.446 249 H HN -0.209 7.954 8.280 -0.195 0.000 0.538 250 A N -2.296 120.265 122.820 -0.432 0.000 2.465 250 A HA 0.231 nan 4.320 nan 0.000 0.255 250 A C -1.169 176.165 177.584 -0.417 0.000 1.274 250 A CA 0.528 52.164 52.037 -0.667 0.000 0.920 250 A CB 1.006 19.652 19.000 -0.589 0.000 1.033 250 A HN 0.364 8.109 8.150 -0.498 0.106 0.516 251 V N -0.587 119.146 119.914 -0.301 0.000 4.763 251 V HA 0.122 nan 4.120 nan 0.000 0.146 251 V C -0.115 175.892 176.094 -0.145 0.000 1.198 251 V CA 2.186 64.398 62.300 -0.147 0.000 1.220 251 V CB 0.996 32.788 31.823 -0.053 0.000 1.571 251 V HN -0.633 7.303 8.190 -0.324 0.059 0.595 252 Y N 1.238 121.421 120.300 -0.194 0.000 2.133 252 Y HA -0.471 nan 4.550 nan 0.000 0.287 252 Y C 1.303 177.209 175.900 0.011 0.000 1.134 252 Y CA 3.945 61.985 58.100 -0.099 0.000 1.133 252 Y CB 0.549 38.926 38.460 -0.138 0.000 0.987 252 Y HN -0.064 8.211 8.280 -0.008 0.000 0.502 253 D N -1.651 118.721 120.400 -0.048 0.000 2.234 253 D HA -0.248 nan 4.640 nan 0.000 0.205 253 D C 1.660 178.015 176.300 0.092 0.000 0.962 253 D CA 2.584 56.586 54.000 0.004 0.000 0.855 253 D CB -0.348 40.549 40.800 0.162 0.000 0.951 253 D HN 0.260 8.649 8.370 0.032 0.000 0.500 254 A N -1.543 121.331 122.820 0.090 0.000 1.968 254 A HA -0.084 nan 4.320 nan 0.000 0.217 254 A C 1.031 178.618 177.584 0.005 0.000 1.169 254 A CA 2.425 54.555 52.037 0.155 0.000 0.638 254 A CB -0.214 18.724 19.000 -0.103 0.000 0.812 254 A HN -0.114 7.999 8.150 -0.011 0.030 0.446 255 L N -3.444 117.690 121.223 -0.149 0.000 2.416 255 L HA 0.062 nan 4.340 nan 0.000 0.188 255 L C 1.520 178.353 176.870 -0.062 0.000 1.145 255 L CA 1.947 56.693 54.840 -0.157 0.000 0.826 255 L CB 0.908 42.758 42.059 -0.348 0.000 1.064 255 L HN -0.489 7.536 8.230 -0.193 0.090 0.490 256 F N -0.096 119.692 119.950 -0.271 0.000 2.113 256 F HA -0.290 nan 4.527 nan 0.000 0.297 256 F C 1.718 177.425 175.800 -0.155 0.000 1.103 256 F CA 3.966 61.830 58.000 -0.227 0.000 1.248 256 F CB 0.260 39.002 39.000 -0.429 0.000 0.999 256 F HN 0.033 8.265 8.300 -0.113 0.000 0.475 257 G N -2.276 106.422 108.800 -0.169 0.000 2.404 257 G HA2 -0.394 nan 3.960 nan 0.000 0.215 257 G HA3 -0.394 nan 3.960 nan 0.000 0.215 257 G C 1.121 175.901 174.900 -0.201 0.000 1.174 257 G CA 2.196 47.248 45.100 -0.081 0.000 0.780 257 G HN -0.425 7.760 8.290 -0.175 0.000 0.537 258 Q N 1.773 121.422 119.800 -0.251 0.000 2.124 258 Q HA -0.261 nan 4.340 nan 0.000 0.202 258 Q C 2.463 178.349 176.000 -0.190 0.000 0.977 258 Q CA 2.577 58.202 55.803 -0.297 0.000 0.850 258 Q CB -0.380 28.184 28.738 -0.290 0.000 0.901 258 Q HN -0.233 7.907 8.270 -0.216 0.000 0.429 259 F N 1.374 121.176 119.950 -0.248 0.000 2.075 259 F HA -0.369 nan 4.527 nan 0.000 0.297 259 F C 2.173 177.821 175.800 -0.253 0.000 1.113 259 F CA 3.709 61.592 58.000 -0.195 0.000 1.218 259 F CB 0.073 38.965 39.000 -0.181 0.000 0.984 259 F HN -0.193 8.014 8.300 -0.031 0.074 0.472 260 V N -0.197 119.368 119.914 -0.582 0.000 2.261 260 V HA -0.547 nan 4.120 nan 0.000 0.246 260 V C 1.922 177.837 176.094 -0.298 0.000 1.047 260 V CA 4.680 66.557 62.300 -0.705 0.000 1.015 260 V CB -0.978 30.161 31.823 -1.140 0.000 0.642 260 V HN 0.270 8.122 8.190 -0.563 0.000 0.446 261 R N -2.176 118.143 120.500 -0.301 0.000 2.075 261 R HA -0.343 nan 4.340 nan 0.000 0.230 261 R C 2.057 178.300 176.300 -0.094 0.000 1.140 261 R CA 4.170 60.217 56.100 -0.089 0.000 0.928 261 R CB -0.152 30.128 30.300 -0.035 0.000 0.834 261 R HN 0.003 8.047 8.270 -0.377 0.000 0.429 262 R N -2.147 118.254 120.500 -0.165 0.000 2.066 262 R HA -0.192 nan 4.340 nan 0.000 0.224 262 R C 2.076 178.262 176.300 -0.189 0.000 1.122 262 R CA 2.986 58.998 56.100 -0.147 0.000 0.974 262 R CB 0.257 30.477 30.300 -0.134 0.000 0.871 262 R HN -0.126 7.918 8.270 -0.207 0.102 0.435 263 E N -3.822 116.182 120.200 -0.326 0.000 2.472 263 E HA -0.035 nan 4.350 nan 0.000 0.196 263 E C 0.787 177.112 176.600 -0.458 0.000 1.033 263 E CA 0.760 56.926 56.400 -0.389 0.000 0.886 263 E CB 0.253 29.681 29.700 -0.454 0.000 0.944 263 E HN -0.276 7.735 8.360 -0.404 0.106 0.492 264 F N 1.586 121.188 119.950 -0.579 0.000 2.468 264 F HA 0.039 nan 4.527 nan 0.000 0.250 264 F C 0.194 175.793 175.800 -0.336 0.000 0.990 264 F CA 2.984 60.698 58.000 -0.476 0.000 1.043 264 F CB 1.309 39.978 39.000 -0.551 0.000 1.184 264 F HN -0.423 7.666 8.300 -0.352 0.000 0.690 265 F N -1.041 119.024 119.950 0.192 0.000 2.134 265 F HA -0.422 nan 4.527 nan 0.000 0.299 265 F C 2.352 178.091 175.800 -0.101 0.000 1.097 265 F CA 4.642 62.702 58.000 0.100 0.000 1.264 265 F CB -0.279 38.674 39.000 -0.077 0.000 1.001 265 F HN 0.082 8.536 8.300 0.257 0.000 0.479 266 Q N -0.294 119.508 119.800 0.004 0.000 2.170 266 Q HA -0.236 nan 4.340 nan 0.000 0.203 266 Q C 1.543 177.479 176.000 -0.107 0.000 0.976 266 Q CA 2.885 58.647 55.803 -0.070 0.000 0.858 266 Q CB -0.240 28.448 28.738 -0.083 0.000 0.907 266 Q HN -0.123 8.157 8.270 0.016 0.000 0.433 267 R N -2.446 117.966 120.500 -0.147 0.000 2.127 267 R HA -0.095 nan 4.340 nan 0.000 0.217 267 R C 1.522 177.690 176.300 -0.221 0.000 1.074 267 R CA 2.207 58.205 56.100 -0.170 0.000 0.991 267 R CB 0.307 30.502 30.300 -0.175 0.000 0.895 267 R HN -0.605 7.547 8.270 -0.156 0.024 0.450 268 L N -3.391 117.656 121.223 -0.292 0.000 2.470 268 L HA 0.144 nan 4.340 nan 0.000 0.219 268 L C 0.991 177.573 176.870 -0.481 0.000 1.071 268 L CA 0.963 55.587 54.840 -0.359 0.000 0.850 268 L CB 0.778 42.566 42.059 -0.452 0.000 1.040 268 L HN 0.038 8.095 8.230 -0.288 0.000 0.475 269 A N -0.192 122.370 122.820 -0.430 0.000 1.940 269 A HA -0.154 nan 4.320 nan 0.000 0.219 269 A C -1.199 176.171 177.584 -0.356 0.000 1.176 269 A CA 4.997 56.716 52.037 -0.529 0.000 0.631 269 A CB -2.669 16.357 19.000 0.044 0.000 0.814 269 A HN 0.316 8.248 8.150 -0.186 0.106 0.446 270 P HA -0.239 nan 4.420 nan 0.000 0.216 270 P C 1.958 179.115 177.300 -0.238 0.000 1.150 270 P CA 2.520 65.517 63.100 -0.171 0.000 0.843 270 P CB -0.716 30.903 31.700 -0.134 0.000 0.787 271 R N -2.768 117.522 120.500 -0.351 0.000 2.193 271 R HA -0.201 nan 4.340 nan 0.000 0.229 271 R C 1.417 177.294 176.300 -0.706 0.000 1.110 271 R CA 2.273 58.071 56.100 -0.503 0.000 0.988 271 R CB -0.304 29.636 30.300 -0.600 0.000 0.871 271 R HN -0.496 7.438 8.270 -0.351 0.125 0.458 272 F N -2.492 117.200 119.950 -0.430 0.000 2.645 272 F HA 0.171 nan 4.527 nan 0.000 0.300 272 F C -0.685 175.010 175.800 -0.175 0.000 1.115 272 F CA -0.478 57.326 58.000 -0.327 0.000 1.355 272 F CB -0.326 38.334 39.000 -0.567 0.000 1.026 272 F HN -0.663 7.259 8.300 -0.413 0.131 0.536 273 G N -0.150 108.614 108.800 -0.061 0.000 2.198 273 G HA2 -0.527 nan 3.960 nan 0.000 0.257 273 G HA3 -0.527 nan 3.960 nan 0.000 0.257 273 G C -1.252 173.699 174.900 0.084 0.000 1.042 273 G CA 0.160 45.270 45.100 0.016 0.000 0.791 273 G HN -0.128 7.896 8.290 -0.152 0.175 0.502 274 D N 0.037 120.466 120.400 0.048 0.000 2.453 274 D HA 0.225 nan 4.640 nan 0.000 0.238 274 D C -0.752 175.620 176.300 0.121 0.000 1.088 274 D CA -1.568 52.519 54.000 0.146 0.000 0.854 274 D CB 1.045 41.963 40.800 0.196 0.000 1.076 274 D HN -0.459 7.879 8.370 -0.053 0.000 0.533 275 N N 4.197 123.012 118.700 0.191 0.000 2.325 275 N HA 0.044 nan 4.740 nan 0.000 0.182 275 N C 1.042 176.661 175.510 0.181 0.000 1.088 275 N CA 0.674 53.830 53.050 0.177 0.000 0.879 275 N CB 1.159 39.786 38.487 0.235 0.000 0.983 275 N HN 0.363 8.901 8.380 0.263 0.000 0.471 276 L N 0.770 122.098 121.223 0.175 0.000 2.005 276 L HA -0.250 nan 4.340 nan 0.000 0.207 276 L C 1.140 178.139 176.870 0.216 0.000 1.072 276 L CA 3.900 58.792 54.840 0.088 0.000 0.744 276 L CB -0.217 41.846 42.059 0.007 0.000 0.895 276 L HN -0.346 8.083 8.230 0.232 -0.060 0.433 277 T N 0.752 115.423 114.554 0.196 0.000 2.708 277 T HA -0.036 nan 4.350 nan 0.000 0.266 277 T C -0.856 173.862 174.700 0.030 0.000 1.037 277 T CA 5.888 68.054 62.100 0.109 0.000 1.146 277 T CB -2.286 66.527 68.868 -0.092 0.000 0.865 277 T HN -0.438 8.350 8.240 0.194 -0.431 0.435 278 P HA -0.262 nan 4.420 nan 0.000 0.217 278 P C 0.791 178.014 177.300 -0.129 0.000 1.151 278 P CA 3.007 66.068 63.100 -0.066 0.000 0.849 278 P CB -0.359 31.310 31.700 -0.050 0.000 0.787 279 F N -1.633 118.130 119.950 -0.312 0.000 2.091 279 F HA -0.416 nan 4.527 nan 0.000 0.299 279 F C 1.364 176.817 175.800 -0.579 0.000 1.103 279 F CA 4.203 61.828 58.000 -0.625 0.000 1.228 279 F CB 0.146 38.439 39.000 -1.178 0.000 0.984 279 F HN -0.646 7.641 8.300 -0.008 0.008 0.477 280 F N -3.409 116.535 119.950 -0.010 0.000 2.325 280 F HA -0.261 nan 4.527 nan 0.000 0.299 280 F C 1.822 177.587 175.800 -0.059 0.000 1.090 280 F CA 3.668 61.668 58.000 0.000 0.000 1.392 280 F CB -0.270 38.836 39.000 0.177 0.000 1.053 280 F HN -0.916 7.394 8.300 0.016 0.000 0.521 281 I N 0.334 120.939 120.570 0.057 0.000 2.617 281 I HA -0.561 nan 4.170 nan 0.000 0.256 281 I C 1.413 177.462 176.117 -0.113 0.000 1.167 281 I CA 3.716 65.022 61.300 0.010 0.000 1.469 281 I CB -0.422 37.545 38.000 -0.054 0.000 1.098 281 I HN 0.167 8.293 8.210 0.025 0.099 0.436 282 N N 0.595 119.160 118.700 -0.226 0.000 2.223 282 N HA -0.296 nan 4.740 nan 0.000 0.185 282 N C 2.302 177.623 175.510 -0.316 0.000 1.016 282 N CA 3.534 56.424 53.050 -0.266 0.000 0.863 282 N CB -0.780 37.489 38.487 -0.362 0.000 0.983 282 N HN 0.368 8.588 8.380 -0.267 0.000 0.429 283 Q N 0.126 119.679 119.800 -0.410 0.000 2.016 283 Q HA -0.267 nan 4.340 nan 0.000 0.200 283 Q C 1.696 177.195 176.000 -0.836 0.000 0.978 283 Q CA 3.210 58.627 55.803 -0.643 0.000 0.833 283 Q CB -0.308 28.106 28.738 -0.539 0.000 0.895 283 Q HN -0.607 7.327 8.270 -0.394 0.099 0.427 284 A N -0.592 121.994 122.820 -0.390 0.000 1.908 284 A HA -0.348 nan 4.320 nan 0.000 0.218 284 A C 2.592 180.162 177.584 -0.022 0.000 1.181 284 A CA 3.253 55.204 52.037 -0.143 0.000 0.627 284 A CB -0.843 18.210 19.000 0.089 0.000 0.818 284 A HN -0.333 7.677 8.150 -0.234 0.000 0.445 285 Q N -3.640 116.137 119.800 -0.039 0.000 2.245 285 Q HA -0.140 nan 4.340 nan 0.000 0.201 285 Q C 2.854 178.912 176.000 0.096 0.000 0.955 285 Q CA 2.237 58.073 55.803 0.055 0.000 0.870 285 Q CB -0.412 28.323 28.738 -0.004 0.000 0.945 285 Q HN 0.269 8.468 8.270 -0.102 0.009 0.461 286 T N 4.809 119.355 114.554 -0.014 0.000 2.708 286 T HA -0.221 nan 4.350 nan 0.000 0.266 286 T C 2.096 176.945 174.700 0.248 0.000 1.037 286 T CA 5.320 67.463 62.100 0.071 0.000 1.146 286 T CB -0.436 68.432 68.868 0.001 0.000 0.865 286 T HN 0.195 8.279 8.240 -0.138 0.074 0.435 287 Y N 0.342 120.713 120.300 0.119 0.000 2.224 287 Y HA -0.256 nan 4.550 nan 0.000 0.289 287 Y C 1.747 177.745 175.900 0.163 0.000 1.146 287 Y CA -0.048 58.135 58.100 0.138 0.000 1.182 287 Y CB -1.471 37.074 38.460 0.141 0.000 0.983 287 Y HN 0.253 8.504 8.280 -0.047 0.000 0.524 288 F N 0.812 120.895 119.950 0.222 0.000 2.113 288 F HA -0.433 nan 4.527 nan 0.000 0.297 288 F C 1.591 177.476 175.800 0.141 0.000 1.103 288 F CA 3.869 61.973 58.000 0.173 0.000 1.248 288 F CB 0.414 39.507 39.000 0.155 0.000 0.999 288 F HN -0.323 8.230 8.300 0.422 0.000 0.475 289 Q N -1.391 118.590 119.800 0.302 0.000 2.170 289 Q HA -0.349 nan 4.340 nan 0.000 0.203 289 Q C 2.896 178.942 176.000 0.075 0.000 0.976 289 Q CA 2.483 58.393 55.803 0.179 0.000 0.858 289 Q CB -0.542 28.315 28.738 0.199 0.000 0.907 289 Q HN -0.237 8.257 8.270 0.374 0.000 0.433 290 I N -0.244 120.393 120.570 0.110 0.000 2.142 290 I HA -0.515 nan 4.170 nan 0.000 0.240 290 I C 1.603 177.757 176.117 0.062 0.000 1.078 290 I CA 3.711 65.075 61.300 0.107 0.000 1.343 290 I CB -0.233 37.863 38.000 0.160 0.000 1.046 290 I HN -0.031 8.279 8.210 0.168 0.000 0.405 291 A N -1.929 120.870 122.820 -0.036 0.000 1.969 291 A HA -0.321 nan 4.320 nan 0.000 0.218 291 A C 1.434 178.761 177.584 -0.429 0.000 1.169 291 A CA 2.925 54.791 52.037 -0.284 0.000 0.635 291 A CB -0.930 17.692 19.000 -0.630 0.000 0.810 291 A HN -0.050 8.093 8.150 -0.010 0.000 0.445 292 K N -1.476 118.714 120.400 -0.350 0.000 2.063 292 K HA -0.441 nan 4.320 nan 0.000 0.208 292 K C 1.857 178.417 176.600 -0.067 0.000 1.048 292 K CA 3.693 59.834 56.287 -0.244 0.000 0.928 292 K CB -0.274 32.119 32.500 -0.179 0.000 0.713 292 K HN -0.073 7.961 8.250 -0.345 0.010 0.442 293 Q N -2.664 117.141 119.800 0.007 0.000 2.170 293 Q HA -0.274 nan 4.340 nan 0.000 0.203 293 Q C 2.786 178.887 176.000 0.169 0.000 0.976 293 Q CA 2.608 58.466 55.803 0.090 0.000 0.858 293 Q CB -0.248 28.551 28.738 0.101 0.000 0.907 293 Q HN -0.389 7.879 8.270 -0.003 0.000 0.433 294 G N -1.138 107.801 108.800 0.230 0.000 2.408 294 G HA2 -0.135 nan 3.960 nan 0.000 0.215 294 G HA3 -0.135 nan 3.960 nan 0.000 0.215 294 G C 0.973 176.133 174.900 0.432 0.000 1.156 294 G CA 1.637 47.039 45.100 0.503 0.000 0.793 294 G HN -0.338 7.911 8.290 0.150 0.132 0.535 295 V N -0.480 119.460 119.914 0.044 0.000 2.453 295 V HA -0.262 nan 4.120 nan 0.000 0.247 295 V C 1.736 177.835 176.094 0.009 0.000 1.048 295 V CA 2.718 64.984 62.300 -0.058 0.000 1.049 295 V CB -0.984 30.661 31.823 -0.297 0.000 0.672 295 V HN -0.031 8.000 8.190 -0.134 0.078 0.457 296 Q N -0.039 119.778 119.800 0.029 0.000 2.172 296 Q HA -0.368 nan 4.340 nan 0.000 0.200 296 Q C 2.052 178.096 176.000 0.073 0.000 0.964 296 Q CA 3.401 59.223 55.803 0.030 0.000 0.855 296 Q CB -0.336 28.560 28.738 0.263 0.000 0.918 296 Q HN 0.471 8.776 8.270 0.059 0.000 0.444 297 D N 0.449 120.940 120.400 0.152 0.000 2.117 297 D HA -0.253 nan 4.640 nan 0.000 0.198 297 D C 1.905 178.294 176.300 0.149 0.000 0.982 297 D CA 3.473 57.596 54.000 0.206 0.000 0.828 297 D CB 0.138 41.126 40.800 0.314 0.000 0.967 297 D HN -0.668 7.725 8.370 0.184 0.088 0.464 298 L N -0.387 120.841 121.223 0.009 0.000 2.023 298 L HA -0.279 nan 4.340 nan 0.000 0.205 298 L C 1.558 178.213 176.870 -0.358 0.000 1.073 298 L CA 3.262 57.933 54.840 -0.282 0.000 0.745 298 L CB -0.244 41.403 42.059 -0.687 0.000 0.900 298 L HN -0.419 7.837 8.230 0.043 0.000 0.435 299 Y N -3.661 116.578 120.300 -0.103 0.000 2.263 299 Y HA -0.342 nan 4.550 nan 0.000 0.292 299 Y C 2.327 178.163 175.900 -0.107 0.000 1.130 299 Y CA 4.369 62.367 58.100 -0.171 0.000 1.179 299 Y CB -0.193 38.111 38.460 -0.260 0.000 0.998 299 Y HN 0.038 8.060 8.280 -0.430 0.000 0.532 300 Y N -2.954 117.494 120.300 0.247 0.000 2.382 300 Y HA -0.072 nan 4.550 nan 0.000 0.292 300 Y C 1.870 177.837 175.900 0.111 0.000 1.151 300 Y CA 0.524 58.727 58.100 0.171 0.000 1.198 300 Y CB -0.030 38.527 38.460 0.161 0.000 1.195 300 Y HN -0.047 7.987 8.280 -0.225 0.111 0.530 301 N N -0.108 118.722 118.700 0.217 0.000 2.216 301 N HA -0.246 nan 4.740 nan 0.000 0.183 301 N C 1.709 177.276 175.510 0.095 0.000 1.017 301 N CA 3.414 56.552 53.050 0.147 0.000 0.861 301 N CB 0.723 39.291 38.487 0.135 0.000 0.986 301 N HN -0.166 8.333 8.380 0.200 0.000 0.428 302 C N -1.712 117.629 119.300 0.068 0.000 2.541 302 C HA 0.092 nan 4.460 nan 0.000 0.284 302 C C 1.760 176.748 174.990 -0.003 0.000 1.341 302 C CA 2.479 61.512 59.018 0.025 0.000 1.732 302 C CB -0.128 27.622 27.740 0.018 0.000 2.126 302 C HN 0.088 8.356 8.230 0.064 0.000 0.505 303 L N -0.911 120.310 121.223 -0.003 0.000 2.121 303 L HA -0.018 nan 4.340 nan 0.000 0.200 303 L C 2.949 179.860 176.870 0.069 0.000 1.077 303 L CA 1.996 56.836 54.840 -0.001 0.000 0.766 303 L CB -0.866 41.199 42.059 0.009 0.000 0.931 303 L HN 0.330 8.558 8.230 -0.003 0.000 0.452 304 G N -0.738 108.141 108.800 0.132 0.000 2.408 304 G HA2 -0.301 nan 3.960 nan 0.000 0.217 304 G HA3 -0.301 nan 3.960 nan 0.000 0.217 304 G C 0.654 175.626 174.900 0.119 0.000 1.150 304 G CA 2.300 47.493 45.100 0.155 0.000 0.776 304 G HN 0.474 8.750 8.290 0.162 0.111 0.542 305 D N -1.409 119.059 120.400 0.114 0.000 2.358 305 D HA 0.197 nan 4.640 nan 0.000 0.224 305 D C -0.348 175.988 176.300 0.059 0.000 1.123 305 D CA -0.833 53.215 54.000 0.081 0.000 0.833 305 D CB 0.080 40.930 40.800 0.083 0.000 0.946 305 D HN -0.298 8.151 8.370 0.132 0.000 0.505 306 D N 1.788 122.226 120.400 0.064 0.000 2.533 306 D HA -0.053 nan 4.640 nan 0.000 0.236 306 D C 0.193 176.513 176.300 0.034 0.000 1.137 306 D CA -0.750 53.283 54.000 0.056 0.000 0.867 306 D CB 2.024 42.885 40.800 0.102 0.000 1.170 306 D HN -0.614 7.605 8.370 0.076 0.197 0.474 307 P HA -0.128 nan 4.420 nan 0.000 0.218 307 P C 0.004 177.246 177.300 -0.095 0.000 1.148 307 P CA 2.288 65.369 63.100 -0.031 0.000 0.822 307 P CB 0.274 31.959 31.700 -0.025 0.000 0.784 308 E N -3.595 116.505 120.200 -0.167 0.000 2.290 308 E HA 0.009 nan 4.350 nan 0.000 0.197 308 E C 0.168 176.407 176.600 -0.602 0.000 0.948 308 E CA 1.114 57.245 56.400 -0.448 0.000 0.895 308 E CB 1.520 30.836 29.700 -0.639 0.000 0.865 308 E HN -0.399 8.122 8.360 -0.089 -0.214 0.486 309 F N -2.060 117.892 119.950 0.005 0.000 2.724 309 F HA 0.365 nan 4.527 nan 0.000 0.310 309 F C 0.172 176.015 175.800 0.071 0.000 1.107 309 F CA -0.911 57.119 58.000 0.049 0.000 1.218 309 F CB 1.579 40.604 39.000 0.042 0.000 1.042 309 F HN -0.488 7.890 8.300 0.027 -0.062 0.540 310 S N 2.235 118.020 115.700 0.142 0.000 2.359 310 S HA -0.477 nan 4.470 nan 0.000 0.223 310 S C 1.769 176.424 174.600 0.092 0.000 1.039 310 S CA 4.770 63.031 58.200 0.102 0.000 1.042 310 S CB -0.562 62.673 63.200 0.058 0.000 0.915 310 S HN -0.125 8.227 8.310 0.070 0.000 0.439 311 D N 1.007 121.460 120.400 0.089 0.000 2.104 311 D HA -0.279 nan 4.640 nan 0.000 0.194 311 D C 1.248 177.598 176.300 0.085 0.000 0.994 311 D CA 3.198 57.241 54.000 0.072 0.000 0.830 311 D CB -0.248 40.593 40.800 0.067 0.000 0.959 311 D HN 0.238 8.655 8.370 0.078 0.000 0.452 312 Y N -0.884 119.451 120.300 0.059 0.000 2.089 312 Y HA -0.410 nan 4.550 nan 0.000 0.282 312 Y C 1.344 177.229 175.900 -0.024 0.000 1.139 312 Y CA 3.535 61.666 58.100 0.051 0.000 1.123 312 Y CB 0.007 38.568 38.460 0.168 0.000 0.980 312 Y HN -0.256 8.211 8.280 0.311 0.000 0.493 313 N N -1.539 117.101 118.700 -0.099 0.000 2.166 313 N HA -0.345 nan 4.740 nan 0.000 0.186 313 N C 2.609 177.941 175.510 -0.298 0.000 1.019 313 N CA 3.283 56.175 53.050 -0.263 0.000 0.856 313 N CB -0.596 37.864 38.487 -0.045 0.000 0.993 313 N HN 0.048 8.548 8.380 0.199 0.000 0.426 314 R N -0.127 120.285 120.500 -0.146 0.000 2.092 314 R HA -0.257 nan 4.340 nan 0.000 0.231 314 R C 2.296 178.493 176.300 -0.172 0.000 1.119 314 R CA 4.081 60.115 56.100 -0.111 0.000 0.970 314 R CB -0.223 30.065 30.300 -0.021 0.000 0.864 314 R HN 0.323 8.554 8.270 -0.064 0.000 0.440 315 T N 3.640 118.074 114.554 -0.201 0.000 2.652 315 T HA -0.285 nan 4.350 nan 0.000 0.267 315 T C 2.236 176.731 174.700 -0.342 0.000 1.039 315 T CA 4.999 66.974 62.100 -0.208 0.000 1.153 315 T CB -0.486 68.270 68.868 -0.186 0.000 0.863 315 T HN -0.127 8.009 8.240 -0.174 0.000 0.428 316 V N 2.020 121.584 119.914 -0.584 0.000 2.358 316 V HA -0.360 nan 4.120 nan 0.000 0.246 316 V C 1.657 177.114 176.094 -1.061 0.000 1.047 316 V CA 4.720 66.512 62.300 -0.846 0.000 1.035 316 V CB -0.801 30.400 31.823 -1.036 0.000 0.658 316 V HN -0.140 7.666 8.190 -0.641 0.000 0.452 317 M N -1.617 117.470 119.600 -0.856 0.000 2.229 317 M HA -0.432 nan 4.480 nan 0.000 0.264 317 M C 2.166 178.301 176.300 -0.275 0.000 1.063 317 M CA 4.330 59.136 55.300 -0.824 0.000 1.114 317 M CB -0.312 31.840 32.600 -0.746 0.000 1.387 317 M HN 0.162 8.050 8.290 -0.670 0.000 0.420 318 R N -0.729 119.702 120.500 -0.115 0.000 2.081 318 R HA -0.409 nan 4.340 nan 0.000 0.235 318 R C 2.174 178.581 176.300 0.178 0.000 1.131 318 R CA 3.974 60.169 56.100 0.158 0.000 0.960 318 R CB -0.427 29.987 30.300 0.189 0.000 0.856 318 R HN 0.351 8.508 8.270 -0.189 0.000 0.436 319 N N -0.324 118.372 118.700 -0.007 0.000 2.120 319 N HA -0.265 nan 4.740 nan 0.000 0.188 319 N C 2.087 177.720 175.510 0.205 0.000 1.024 319 N CA 3.323 56.400 53.050 0.044 0.000 0.852 319 N CB -0.151 38.275 38.487 -0.102 0.000 1.003 319 N HN -0.296 7.896 8.380 -0.168 0.086 0.424 320 W N -1.652 119.718 121.300 0.117 0.000 2.436 320 W HA 0.066 nan 4.660 nan 0.000 0.284 320 W C 2.359 179.074 176.519 0.327 0.000 1.225 320 W CA 1.918 59.405 57.345 0.238 0.000 1.271 320 W CB -1.009 28.627 29.460 0.294 0.000 1.114 320 W HN -0.027 8.021 8.180 -0.086 0.081 0.559 321 T N 2.370 117.216 114.554 0.487 0.000 2.788 321 T HA -0.311 nan 4.350 nan 0.000 0.268 321 T C 2.143 176.922 174.700 0.133 0.000 1.044 321 T CA 5.562 67.796 62.100 0.223 0.000 1.139 321 T CB -0.597 68.148 68.868 -0.204 0.000 0.867 321 T HN 0.402 8.909 8.240 0.445 0.000 0.454 322 G N 0.996 109.952 108.800 0.260 0.000 2.403 322 G HA2 -0.289 nan 3.960 nan 0.000 0.216 322 G HA3 -0.289 nan 3.960 nan 0.000 0.216 322 G C 0.554 175.552 174.900 0.163 0.000 1.154 322 G CA 1.550 46.841 45.100 0.318 0.000 0.784 322 G HN -0.081 8.394 8.290 0.309 0.000 0.538 323 K N 1.519 121.990 120.400 0.117 0.000 2.063 323 K HA -0.300 nan 4.320 nan 0.000 0.208 323 K C 1.251 177.674 176.600 -0.295 0.000 1.048 323 K CA 2.527 58.739 56.287 -0.125 0.000 0.928 323 K CB 0.100 32.507 32.500 -0.155 0.000 0.713 323 K HN -0.284 8.019 8.250 0.206 0.071 0.442 324 W N -4.562 116.796 121.300 0.095 0.000 3.177 324 W HA 0.044 nan 4.660 nan 0.000 0.309 324 W C 0.817 177.345 176.519 0.015 0.000 1.224 324 W CA 0.074 57.439 57.345 0.033 0.000 1.718 324 W CB 1.044 30.513 29.460 0.015 0.000 1.078 324 W HN -0.170 8.168 8.180 0.276 0.007 0.618 325 L N 1.597 122.929 121.223 0.182 0.000 2.056 325 L HA -0.400 nan 4.340 nan 0.000 0.207 325 L C 1.009 177.924 176.870 0.074 0.000 1.078 325 L CA 3.685 58.574 54.840 0.081 0.000 0.749 325 L CB -0.356 41.765 42.059 0.104 0.000 0.901 325 L HN 0.394 8.734 8.230 0.184 0.000 0.433 326 E N -0.713 119.528 120.200 0.068 0.000 2.017 326 E HA -0.194 nan 4.350 nan 0.000 0.193 326 E C -0.934 175.687 176.600 0.036 0.000 0.997 326 E CA 5.563 61.985 56.400 0.037 0.000 0.804 326 E CB -1.749 27.954 29.700 0.006 0.000 0.757 326 E HN -0.562 7.840 8.360 0.070 0.000 0.448 327 P HA -0.103 nan 4.420 nan 0.000 0.221 327 P C 1.597 178.967 177.300 0.116 0.000 1.145 327 P CA 2.314 65.456 63.100 0.069 0.000 0.795 327 P CB -0.511 31.247 31.700 0.097 0.000 0.775 328 T N 1.954 116.607 114.554 0.165 0.000 2.812 328 T HA -0.164 nan 4.350 nan 0.000 0.264 328 T C 2.270 177.029 174.700 0.097 0.000 1.042 328 T CA 5.172 67.394 62.100 0.204 0.000 1.140 328 T CB -0.416 68.558 68.868 0.176 0.000 0.870 328 T HN -0.665 7.552 8.240 0.166 0.123 0.445 329 I N 1.367 121.964 120.570 0.044 0.000 2.226 329 I HA -0.552 nan 4.170 nan 0.000 0.245 329 I C 0.965 177.104 176.117 0.037 0.000 1.100 329 I CA 4.400 65.712 61.300 0.020 0.000 1.374 329 I CB -0.364 37.640 38.000 0.007 0.000 1.057 329 I HN 0.112 8.347 8.210 0.042 0.000 0.413 330 A N -1.111 121.731 122.820 0.037 0.000 1.883 330 A HA -0.423 nan 4.320 nan 0.000 0.217 330 A C 1.649 179.259 177.584 0.043 0.000 1.186 330 A CA 3.340 55.395 52.037 0.030 0.000 0.624 330 A CB -1.174 17.835 19.000 0.015 0.000 0.822 330 A HN -0.263 7.909 8.150 0.037 0.000 0.444 331 A N -1.247 121.589 122.820 0.027 0.000 1.873 331 A HA -0.375 nan 4.320 nan 0.000 0.218 331 A C 2.208 179.902 177.584 0.183 0.000 1.193 331 A CA 3.067 55.068 52.037 -0.060 0.000 0.629 331 A CB -0.869 17.942 19.000 -0.316 0.000 0.826 331 A HN -0.263 7.908 8.150 0.036 0.000 0.447 332 L N -2.241 119.148 121.223 0.276 0.000 1.994 332 L HA -0.471 nan 4.340 nan 0.000 0.208 332 L C 2.222 179.218 176.870 0.210 0.000 1.071 332 L CA 2.966 57.994 54.840 0.313 0.000 0.745 332 L CB -0.446 41.669 42.059 0.093 0.000 0.892 332 L HN -0.332 8.007 8.230 0.182 0.000 0.431 333 R N -0.977 119.587 120.500 0.108 0.000 2.096 333 R HA -0.477 nan 4.340 nan 0.000 0.240 333 R C 2.334 178.690 176.300 0.092 0.000 1.139 333 R CA 3.660 59.801 56.100 0.068 0.000 0.952 333 R CB -0.219 30.102 30.300 0.035 0.000 0.854 333 R HN 0.045 8.367 8.270 0.087 0.000 0.436 334 D N -2.227 118.238 120.400 0.109 0.000 2.144 334 D HA -0.171 nan 4.640 nan 0.000 0.200 334 D C 2.518 178.883 176.300 0.107 0.000 0.978 334 D CA 3.066 57.119 54.000 0.088 0.000 0.833 334 D CB -0.163 40.683 40.800 0.076 0.000 0.961 334 D HN -0.203 8.232 8.370 0.108 0.000 0.470 335 F N 2.289 122.292 119.950 0.088 0.000 2.293 335 F HA -0.249 nan 4.527 nan 0.000 0.300 335 F C 1.255 177.074 175.800 0.031 0.000 1.086 335 F CA 2.792 60.811 58.000 0.031 0.000 1.375 335 F CB 0.307 39.446 39.000 0.231 0.000 1.045 335 F HN -0.410 8.056 8.300 0.415 0.082 0.516 336 M N -2.249 117.448 119.600 0.161 0.000 2.346 336 M HA -0.329 nan 4.480 nan 0.000 0.263 336 M C 2.652 179.046 176.300 0.156 0.000 1.064 336 M CA 1.465 56.913 55.300 0.246 0.000 1.083 336 M CB -1.892 30.793 32.600 0.142 0.000 1.399 336 M HN -0.024 8.261 8.290 0.210 0.131 0.435 337 G N -1.410 107.369 108.800 -0.034 0.000 2.471 337 G HA2 -0.223 nan 3.960 nan 0.000 0.219 337 G HA3 -0.223 nan 3.960 nan 0.000 0.219 337 G C 0.784 175.576 174.900 -0.180 0.000 1.125 337 G CA 1.352 46.408 45.100 -0.073 0.000 0.775 337 G HN -0.367 7.851 8.290 -0.048 0.043 0.548 338 L N 0.717 121.667 121.223 -0.454 0.000 2.141 338 L HA -0.199 nan 4.340 nan 0.000 0.209 338 L C 1.607 178.266 176.870 -0.352 0.000 1.094 338 L CA 1.953 56.392 54.840 -0.668 0.000 0.763 338 L CB -0.100 41.137 42.059 -1.370 0.000 0.908 338 L HN -0.200 7.526 8.230 -0.583 0.154 0.437 339 F N -0.904 118.973 119.950 -0.121 0.000 2.216 339 F HA -0.431 nan 4.527 nan 0.000 0.300 339 F C 1.669 177.464 175.800 -0.007 0.000 1.085 339 F CA 4.016 62.033 58.000 0.029 0.000 1.326 339 F CB -1.117 37.925 39.000 0.071 0.000 1.027 339 F HN -0.799 7.553 8.300 0.132 0.027 0.497 340 A N -2.041 120.860 122.820 0.135 0.000 2.024 340 A HA -0.241 nan 4.320 nan 0.000 0.220 340 A C 0.646 178.252 177.584 0.037 0.000 1.164 340 A CA 2.452 54.531 52.037 0.069 0.000 0.643 340 A CB -1.079 17.940 19.000 0.031 0.000 0.806 340 A HN 0.253 8.481 8.150 0.130 0.000 0.451 341 K N -3.948 116.443 120.400 -0.016 0.000 2.444 341 K HA 0.010 nan 4.320 nan 0.000 0.193 341 K C -0.289 176.318 176.600 0.012 0.000 1.024 341 K CA -0.137 56.133 56.287 -0.029 0.000 1.077 341 K CB 0.319 32.739 32.500 -0.133 0.000 0.833 341 K HN -0.392 7.654 8.250 -0.058 0.169 0.517 342 L N 0.170 121.429 121.223 0.059 0.000 2.343 342 L HA 0.342 nan 4.340 nan 0.000 0.275 342 L C -2.659 174.301 176.870 0.150 0.000 1.056 342 L CA -2.926 51.985 54.840 0.117 0.000 0.804 342 L CB 0.607 42.755 42.059 0.149 0.000 1.203 342 L HN -0.700 7.488 8.230 0.076 0.088 0.440 343 P HA -0.051 nan 4.420 nan 0.000 0.266 343 P C -1.017 176.375 177.300 0.153 0.000 1.193 343 P CA -0.116 63.095 63.100 0.186 0.000 0.770 343 P CB 0.376 32.237 31.700 0.268 0.000 0.836 344 A N 3.266 126.149 122.820 0.105 0.000 2.477 344 A HA -0.079 nan 4.320 nan 0.000 0.246 344 A C 0.836 178.458 177.584 0.063 0.000 1.078 344 A CA 0.734 52.818 52.037 0.079 0.000 0.770 344 A CB -0.258 18.776 19.000 0.056 0.000 1.011 344 A HN 0.304 8.512 8.150 0.096 0.000 0.494 345 G N 2.992 111.822 108.800 0.050 0.000 2.159 345 G HA2 -0.399 nan 3.960 nan 0.000 0.256 345 G HA3 -0.399 nan 3.960 nan 0.000 0.256 345 G C 0.507 175.412 174.900 0.007 0.000 0.977 345 G CA 0.225 45.338 45.100 0.021 0.000 0.652 345 G HN 0.300 8.623 8.290 0.056 0.000 0.531 346 T N 1.332 115.914 114.554 0.046 0.000 2.737 346 T HA -0.165 nan 4.350 nan 0.000 0.265 346 T C -0.387 174.310 174.700 -0.004 0.000 1.038 346 T CA 3.233 65.345 62.100 0.020 0.000 1.144 346 T CB 0.411 69.391 68.868 0.186 0.000 0.866 346 T HN -0.072 8.168 8.240 0.091 0.054 0.434 347 T N -1.877 112.704 114.554 0.045 0.000 2.716 347 T HA 0.405 nan 4.350 nan 0.000 0.286 347 T C -2.586 172.123 174.700 0.015 0.000 1.052 347 T CA -1.878 60.239 62.100 0.029 0.000 1.024 347 T CB 3.144 72.060 68.868 0.079 0.000 1.349 347 T HN -0.182 8.105 8.240 0.078 0.000 0.525 348 D N -3.439 116.953 120.400 -0.013 0.000 2.596 348 D HA 0.217 nan 4.640 nan 0.000 0.262 348 D C 0.301 176.565 176.300 -0.060 0.000 1.210 348 D CA -1.210 52.773 54.000 -0.027 0.000 0.873 348 D CB 1.963 42.753 40.800 -0.017 0.000 1.408 348 D HN -0.332 8.027 8.370 -0.018 0.000 0.441 349 K N -1.095 119.266 120.400 -0.064 0.000 2.160 349 K HA -0.435 nan 4.320 nan 0.000 0.206 349 K C 1.672 178.248 176.600 -0.041 0.000 1.047 349 K CA 3.419 59.661 56.287 -0.076 0.000 0.930 349 K CB 0.022 32.492 32.500 -0.051 0.000 0.720 349 K HN 0.353 8.574 8.250 -0.048 0.000 0.450 350 E N -1.411 118.779 120.200 -0.018 0.000 2.107 350 E HA -0.251 nan 4.350 nan 0.000 0.191 350 E C 2.577 179.188 176.600 0.019 0.000 0.982 350 E CA 3.010 59.414 56.400 0.007 0.000 0.809 350 E CB -0.607 29.095 29.700 0.003 0.000 0.756 350 E HN -0.453 7.989 8.360 -0.021 -0.095 0.459 351 E N 0.006 120.208 120.200 0.004 0.000 2.107 351 E HA -0.240 nan 4.350 nan 0.000 0.191 351 E C 2.595 179.219 176.600 0.040 0.000 0.982 351 E CA 2.779 59.190 56.400 0.018 0.000 0.809 351 E CB 0.053 29.755 29.700 0.003 0.000 0.756 351 E HN -0.545 8.052 8.360 -0.012 -0.244 0.459 352 I N -0.429 120.133 120.570 -0.014 0.000 2.252 352 I HA -0.486 nan 4.170 nan 0.000 0.245 352 I C 1.832 177.980 176.117 0.051 0.000 1.102 352 I CA 4.381 65.669 61.300 -0.020 0.000 1.385 352 I CB -0.214 37.591 38.000 -0.325 0.000 1.064 352 I HN -0.183 7.992 8.210 -0.058 0.000 0.414 353 T N 1.965 116.537 114.554 0.031 0.000 2.746 353 T HA -0.334 nan 4.350 nan 0.000 0.267 353 T C 1.628 176.462 174.700 0.223 0.000 1.039 353 T CA 5.315 67.468 62.100 0.089 0.000 1.142 353 T CB -0.688 68.251 68.868 0.118 0.000 0.866 353 T HN -0.075 8.163 8.240 -0.002 0.000 0.444 354 A N 0.685 123.625 122.820 0.199 0.000 1.969 354 A HA -0.205 nan 4.320 nan 0.000 0.218 354 A C 1.808 179.524 177.584 0.220 0.000 1.169 354 A CA 3.156 55.325 52.037 0.219 0.000 0.635 354 A CB -0.686 18.386 19.000 0.119 0.000 0.810 354 A HN -0.244 7.986 8.150 0.132 0.000 0.445 355 S N -0.335 115.488 115.700 0.205 0.000 2.371 355 S HA -0.249 nan 4.470 nan 0.000 0.224 355 S C 2.131 176.927 174.600 0.326 0.000 1.029 355 S CA 2.908 61.252 58.200 0.240 0.000 0.978 355 S CB 0.113 63.461 63.200 0.246 0.000 0.833 355 S HN -0.481 7.835 8.310 0.185 0.105 0.466 356 L N 2.501 123.894 121.223 0.283 0.000 2.012 356 L HA -0.313 nan 4.340 nan 0.000 0.210 356 L C 2.192 179.091 176.870 0.048 0.000 1.073 356 L CA 2.654 57.548 54.840 0.090 0.000 0.748 356 L CB -1.498 40.466 42.059 -0.157 0.000 0.891 356 L HN 0.129 8.522 8.230 0.272 0.000 0.431 357 Y N -2.275 118.091 120.300 0.109 0.000 2.274 357 Y HA -0.468 nan 4.550 nan 0.000 0.290 357 Y C 2.538 178.514 175.900 0.126 0.000 1.145 357 Y CA 4.283 62.446 58.100 0.106 0.000 1.203 357 Y CB -0.658 37.851 38.460 0.081 0.000 0.984 357 Y HN 0.119 8.509 8.280 0.184 0.000 0.533 358 R N -0.416 120.246 120.500 0.270 0.000 2.070 358 R HA -0.388 nan 4.340 nan 0.000 0.233 358 R C 2.271 178.696 176.300 0.208 0.000 1.137 358 R CA 4.028 60.251 56.100 0.206 0.000 0.945 358 R CB -0.206 30.188 30.300 0.157 0.000 0.845 358 R HN -0.296 8.028 8.270 0.267 0.105 0.430 359 V N 0.463 120.505 119.914 0.213 0.000 2.332 359 V HA -0.342 nan 4.120 nan 0.000 0.248 359 V C 2.056 178.299 176.094 0.248 0.000 1.055 359 V CA 4.628 67.055 62.300 0.212 0.000 1.038 359 V CB -0.681 31.278 31.823 0.226 0.000 0.651 359 V HN -0.180 8.148 8.190 0.230 0.000 0.450 360 V N -0.361 119.686 119.914 0.222 0.000 2.307 360 V HA -0.497 nan 4.120 nan 0.000 0.245 360 V C 1.911 178.239 176.094 0.389 0.000 1.045 360 V CA 4.566 67.044 62.300 0.297 0.000 1.024 360 V CB -1.008 30.923 31.823 0.181 0.000 0.651 360 V HN 0.278 8.572 8.190 0.173 0.000 0.449 361 D N -0.671 119.916 120.400 0.311 0.000 2.144 361 D HA -0.272 nan 4.640 nan 0.000 0.199 361 D C 2.310 178.751 176.300 0.235 0.000 0.984 361 D CA 3.466 57.622 54.000 0.260 0.000 0.834 361 D CB -0.871 40.062 40.800 0.221 0.000 0.955 361 D HN 0.053 8.600 8.370 0.296 0.000 0.465 362 D N 0.569 121.123 120.400 0.255 0.000 2.117 362 D HA -0.209 nan 4.640 nan 0.000 0.197 362 D C 2.165 178.665 176.300 0.334 0.000 0.987 362 D CA 3.077 57.224 54.000 0.246 0.000 0.829 362 D CB -0.440 40.511 40.800 0.250 0.000 0.961 362 D HN -0.139 8.386 8.370 0.257 0.000 0.460 363 W N 1.225 122.688 121.300 0.273 0.000 2.363 363 W HA -0.299 nan 4.660 nan 0.000 0.296 363 W C 1.678 178.389 176.519 0.320 0.000 1.212 363 W CA 4.173 61.759 57.345 0.402 0.000 1.260 363 W CB 0.085 29.708 29.460 0.272 0.000 1.131 363 W HN -0.294 8.215 8.180 0.547 0.000 0.530 364 I N -1.394 119.262 120.570 0.143 0.000 2.193 364 I HA -0.682 nan 4.170 nan 0.000 0.240 364 I C 1.910 177.966 176.117 -0.102 0.000 1.084 364 I CA 4.466 65.706 61.300 -0.100 0.000 1.365 364 I CB -0.248 37.805 38.000 0.087 0.000 1.064 364 I HN 0.119 8.464 8.210 0.358 0.080 0.410 365 E N 0.061 120.259 120.200 -0.003 0.000 2.049 365 E HA -0.439 nan 4.350 nan 0.000 0.198 365 E C 2.822 179.352 176.600 -0.115 0.000 1.007 365 E CA 3.522 59.902 56.400 -0.033 0.000 0.809 365 E CB -0.073 29.637 29.700 0.015 0.000 0.749 365 E HN -0.076 8.329 8.360 0.075 0.000 0.450 366 D N -3.119 117.185 120.400 -0.159 0.000 2.240 366 D HA -0.068 nan 4.640 nan 0.000 0.206 366 D C 1.160 177.130 176.300 -0.550 0.000 0.963 366 D CA 2.607 56.381 54.000 -0.377 0.000 0.863 366 D CB 0.591 41.059 40.800 -0.554 0.000 0.973 366 D HN -0.026 8.308 8.370 -0.060 0.000 0.501 367 Y N -2.882 117.294 120.300 -0.207 0.000 2.817 367 Y HA 0.101 nan 4.550 nan 0.000 0.257 367 Y C 0.923 176.535 175.900 -0.479 0.000 1.055 367 Y CA 1.043 58.985 58.100 -0.264 0.000 1.319 367 Y CB 0.734 39.115 38.460 -0.131 0.000 1.481 367 Y HN -0.435 7.712 8.280 -0.221 0.000 0.471 368 A N -0.870 121.597 122.820 -0.588 0.000 1.902 368 A HA -0.318 nan 4.320 nan 0.000 0.217 368 A C 1.869 179.336 177.584 -0.194 0.000 1.181 368 A CA 3.045 54.780 52.037 -0.503 0.000 0.623 368 A CB -0.485 18.020 19.000 -0.825 0.000 0.818 368 A HN 0.128 7.782 8.150 -0.828 0.000 0.443 369 S N -0.712 114.869 115.700 -0.200 0.000 2.399 369 S HA -0.343 nan 4.470 nan 0.000 0.231 369 S C 2.376 176.889 174.600 -0.145 0.000 1.022 369 S CA 3.075 61.203 58.200 -0.119 0.000 0.983 369 S CB -0.324 62.815 63.200 -0.102 0.000 0.803 369 S HN 0.050 8.212 8.310 -0.248 0.000 0.480 370 A N 1.758 124.411 122.820 -0.279 0.000 2.024 370 A HA -0.158 nan 4.320 nan 0.000 0.220 370 A C 0.631 178.070 177.584 -0.242 0.000 1.164 370 A CA 2.537 54.341 52.037 -0.388 0.000 0.643 370 A CB -0.182 18.233 19.000 -0.975 0.000 0.806 370 A HN 0.432 8.370 8.150 -0.329 0.015 0.451 371 I N -11.537 108.956 120.570 -0.128 0.000 3.974 371 I HA 0.341 nan 4.170 nan 0.000 0.334 371 I C -0.982 175.166 176.117 0.052 0.000 1.437 371 I CA -1.239 60.073 61.300 0.021 0.000 1.113 371 I CB 0.458 38.526 38.000 0.113 0.000 1.063 371 I HN -0.798 7.303 8.210 -0.139 0.026 0.400 372 D N -1.526 118.891 120.400 0.028 0.000 2.800 372 D HA -0.435 nan 4.640 nan 0.000 0.232 372 D C -1.109 175.248 176.300 0.096 0.000 1.137 372 D CA 1.881 55.905 54.000 0.040 0.000 0.718 372 D CB -1.840 38.973 40.800 0.021 0.000 1.084 372 D HN -0.191 7.984 8.370 -0.018 0.184 0.432 373 F N 0.958 120.896 119.950 -0.020 0.000 2.438 373 F HA -0.039 nan 4.527 nan 0.000 0.356 373 F C -1.103 174.708 175.800 0.018 0.000 1.099 373 F CA 0.258 58.272 58.000 0.022 0.000 1.185 373 F CB 0.957 39.993 39.000 0.059 0.000 1.115 373 F HN -0.430 7.998 8.300 0.213 0.000 0.526 374 K N 8.325 128.497 120.400 -0.380 0.000 2.315 374 K HA -0.005 nan 4.320 nan 0.000 0.291 374 K C -1.610 174.791 176.600 -0.331 0.000 1.074 374 K CA -0.213 55.918 56.287 -0.260 0.000 0.936 374 K CB -0.228 32.141 32.500 -0.218 0.000 1.049 374 K HN 0.265 8.225 8.250 -0.484 0.000 0.471 375 A N 5.787 128.624 122.820 0.028 0.000 2.340 375 A HA 0.194 nan 4.320 nan 0.000 0.331 375 A C -1.468 176.218 177.584 0.169 0.000 1.140 375 A CA -0.862 51.326 52.037 0.252 0.000 0.801 375 A CB 1.936 21.276 19.000 0.566 0.000 1.234 375 A HN 0.058 8.253 8.150 0.075 0.000 0.469 376 D N 2.249 122.749 120.400 0.167 0.000 2.454 376 D HA 0.136 nan 4.640 nan 0.000 0.225 376 D C 0.562 176.963 176.300 0.168 0.000 1.081 376 D CA -1.325 52.754 54.000 0.131 0.000 0.864 376 D CB 1.310 42.163 40.800 0.088 0.000 1.040 376 D HN 0.186 8.669 8.370 0.188 0.000 0.517 377 R N 4.512 125.130 120.500 0.197 0.000 2.105 377 R HA -0.372 nan 4.340 nan 0.000 0.239 377 R C 1.353 177.761 176.300 0.179 0.000 1.135 377 R CA 2.896 59.130 56.100 0.224 0.000 0.967 377 R CB -0.404 30.078 30.300 0.302 0.000 0.861 377 R HN 0.458 8.841 8.270 0.187 0.000 0.442 378 D N -0.875 119.645 120.400 0.200 0.000 2.183 378 D HA -0.136 nan 4.640 nan 0.000 0.203 378 D C 2.255 178.603 176.300 0.079 0.000 0.969 378 D CA 3.256 57.366 54.000 0.182 0.000 0.842 378 D CB -0.305 40.602 40.800 0.179 0.000 0.957 378 D HN -0.428 8.160 8.370 0.190 -0.104 0.484 379 Q N 0.102 119.946 119.800 0.075 0.000 2.079 379 Q HA -0.236 nan 4.340 nan 0.000 0.200 379 Q C 2.707 178.723 176.000 0.027 0.000 0.974 379 Q CA 2.938 58.771 55.803 0.050 0.000 0.840 379 Q CB 0.171 28.946 28.738 0.061 0.000 0.898 379 Q HN -0.756 7.748 8.270 0.096 -0.176 0.430 380 I N 0.020 120.610 120.570 0.034 0.000 2.252 380 I HA -0.445 nan 4.170 nan 0.000 0.245 380 I C 1.645 177.716 176.117 -0.078 0.000 1.102 380 I CA 4.704 66.004 61.300 -0.001 0.000 1.385 380 I CB -0.023 37.996 38.000 0.031 0.000 1.064 380 I HN -0.394 7.857 8.210 0.068 0.000 0.414 381 V N 0.019 119.842 119.914 -0.152 0.000 2.427 381 V HA -0.515 nan 4.120 nan 0.000 0.248 381 V C 1.937 177.941 176.094 -0.151 0.000 1.051 381 V CA 4.724 66.867 62.300 -0.262 0.000 1.048 381 V CB -1.110 30.334 31.823 -0.631 0.000 0.666 381 V HN -0.354 7.755 8.190 -0.135 0.000 0.456 382 K N -0.706 119.647 120.400 -0.078 0.000 2.097 382 K HA -0.370 nan 4.320 nan 0.000 0.206 382 K C 2.180 178.760 176.600 -0.033 0.000 1.049 382 K CA 3.580 59.845 56.287 -0.036 0.000 0.933 382 K CB -0.315 32.185 32.500 -0.000 0.000 0.717 382 K HN 0.055 8.269 8.250 -0.060 0.000 0.442 383 A N -1.024 121.779 122.820 -0.028 0.000 1.902 383 A HA -0.160 nan 4.320 nan 0.000 0.217 383 A C 2.502 180.067 177.584 -0.032 0.000 1.181 383 A CA 2.920 54.946 52.037 -0.019 0.000 0.623 383 A CB -0.613 18.383 19.000 -0.007 0.000 0.818 383 A HN -0.258 7.876 8.150 -0.026 0.000 0.443 384 V N -0.270 119.609 119.914 -0.058 0.000 2.307 384 V HA -0.322 nan 4.120 nan 0.000 0.245 384 V C 2.099 178.151 176.094 -0.069 0.000 1.045 384 V CA 3.973 66.230 62.300 -0.072 0.000 1.024 384 V CB -0.392 31.350 31.823 -0.135 0.000 0.651 384 V HN -0.356 7.791 8.190 -0.071 0.000 0.449 385 L N -1.644 119.529 121.223 -0.084 0.000 2.265 385 L HA -0.367 nan 4.340 nan 0.000 0.215 385 L C 2.030 178.874 176.870 -0.044 0.000 1.117 385 L CA 2.659 57.455 54.840 -0.074 0.000 0.782 385 L CB -1.105 40.910 42.059 -0.072 0.000 0.914 385 L HN 0.328 8.501 8.230 -0.095 0.000 0.441 386 A N -0.913 121.889 122.820 -0.029 0.000 2.076 386 A HA -0.212 nan 4.320 nan 0.000 0.220 386 A C 1.282 178.860 177.584 -0.010 0.000 1.160 386 A CA 2.272 54.300 52.037 -0.016 0.000 0.653 386 A CB -0.706 18.288 19.000 -0.010 0.000 0.801 386 A HN -0.453 7.547 8.150 -0.032 0.130 0.455 387 G N -2.902 105.894 108.800 -0.008 0.000 3.233 387 G HA2 0.194 nan 3.960 nan 0.000 0.234 387 G HA3 0.194 nan 3.960 nan 0.000 0.234 387 G C 0.197 175.102 174.900 0.009 0.000 1.137 387 G CA -0.896 44.207 45.100 0.005 0.000 0.763 387 G HN -0.550 7.693 8.290 -0.013 0.039 0.549 388 L N -0.295 120.922 121.223 -0.009 0.000 2.005 388 L HA -0.115 nan 4.340 nan 0.000 0.207 388 L C -1.038 175.834 176.870 0.004 0.000 1.072 388 L CA 2.189 57.020 54.840 -0.015 0.000 0.744 388 L CB 0.186 42.198 42.059 -0.078 0.000 0.895 388 L HN -0.397 7.657 8.230 -0.022 0.163 0.433 389 K N 0.000 120.398 120.400 -0.003 0.000 2.780 389 K HA 0.000 nan 4.320 nan 0.000 0.191 389 K CA 0.000 56.292 56.287 0.008 0.000 0.838 389 K CB 0.000 32.501 32.500 0.002 0.000 1.064 389 K HN 0.000 8.245 8.250 -0.008 0.000 0.543