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 2vd5_1_B DATA FIRST_RESID 11 DATA SEQUENCE QQLVLDPGFL GLEPLLDLLL GVHQELGASE LAQDKYVADF LQWAEPIVVR DATA SEQUENCE LKEVRLQRDD FEILKVIGRG AFSEVAVVKM KQTGQVYAMK IMNKWDMLKR DATA SEQUENCE GEVSCFREER DVLVNGDRRW ITQLHFAFQD ENYLYLVMEY YVGGDLLTLL DATA SEQUENCE SKFGERIPAE MARFYLAEIV MAIDSVHRLG YVHRDIKPDN ILLDRCGHIR DATA SEQUENCE LADFGSCLKL RADGTVRSLV AVGTPDYLSP EILQAVGXXX XXGSYGPECD DATA SEQUENCE WWALGVFAYE MFYGQTPFYA DSTAETYGKI VHYKEHLSLX XXXXXVPEEA DATA SEQUENCE RDFIQRLLCP PETRLGRGGA GDFRTHPFFF GLDWDGLRDS VPPFTPDXXX DATA SEQUENCE XTDTCNFDXX XDGLTAMVXX GGETLSDIXX XXXXGVHLPF VGYSYSCMAL DATA SEQUENCE RDSEVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 176.009 176.000 0.015 0.000 1.003 11 Q CA 0.000 55.814 55.803 0.019 0.000 1.022 11 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 12 Q N 0.665 120.466 119.800 0.002 0.000 2.103 12 Q HA -0.254 4.086 4.340 0.001 0.000 0.213 12 Q C 2.125 178.127 176.000 0.002 0.000 1.008 12 Q CA 3.731 59.535 55.803 0.001 0.000 0.879 12 Q CB -2.028 26.703 28.738 -0.012 0.000 0.946 12 Q HN 0.748 nan 8.270 nan 0.000 0.413 13 L N -0.364 120.834 121.223 -0.042 0.000 2.046 13 L HA 0.021 4.362 4.340 0.001 0.000 0.208 13 L C 2.975 179.888 176.870 0.071 0.000 1.077 13 L CA 2.285 57.073 54.840 -0.087 0.000 0.747 13 L CB -1.441 40.420 42.059 -0.330 0.000 0.896 13 L HN 0.555 nan 8.230 nan 0.000 0.432 14 V N -0.505 119.470 119.914 0.101 0.000 2.324 14 V HA -0.309 3.812 4.120 0.001 0.000 0.250 14 V C 2.534 178.726 176.094 0.165 0.000 1.060 14 V CA 2.165 64.578 62.300 0.188 0.000 1.042 14 V CB -0.539 31.361 31.823 0.128 0.000 0.650 14 V HN 0.698 nan 8.190 nan 0.000 0.450 15 L N -0.267 121.023 121.223 0.112 0.000 2.599 15 L HA 0.096 4.437 4.340 0.001 0.000 0.230 15 L C 0.700 177.632 176.870 0.104 0.000 1.141 15 L CA 0.127 55.025 54.840 0.097 0.000 0.877 15 L CB -0.264 41.837 42.059 0.070 0.000 1.009 15 L HN 0.279 nan 8.230 nan 0.000 0.447 16 D N 0.556 121.031 120.400 0.125 0.000 2.338 16 D HA 0.064 4.705 4.640 0.001 0.000 0.255 16 D C -1.559 174.827 176.300 0.144 0.000 1.237 16 D CA -1.872 52.203 54.000 0.125 0.000 0.883 16 D CB 1.255 42.131 40.800 0.127 0.000 1.087 16 D HN -0.119 nan 8.370 nan 0.000 0.485 17 P HA -0.030 nan 4.420 nan 0.000 0.223 17 P C 1.128 178.486 177.300 0.097 0.000 1.144 17 P CA 0.747 63.909 63.100 0.103 0.000 0.783 17 P CB 0.280 32.039 31.700 0.098 0.000 0.771 18 G N -2.758 106.110 108.800 0.113 0.000 2.712 18 G HA2 -0.141 3.820 3.960 0.001 0.000 0.212 18 G HA3 -0.141 3.820 3.960 0.001 0.000 0.212 18 G C 0.966 175.967 174.900 0.169 0.000 1.142 18 G CA 0.058 45.226 45.100 0.114 0.000 0.789 18 G HN 0.250 nan 8.290 nan 0.000 0.535 19 F N -1.237 118.733 119.950 0.034 0.000 2.619 19 F HA 0.504 5.032 4.527 0.001 0.000 0.281 19 F C 1.198 177.020 175.800 0.037 0.000 1.065 19 F CA 0.156 58.174 58.000 0.031 0.000 1.304 19 F CB 0.599 39.615 39.000 0.027 0.000 1.059 19 F HN 0.035 nan 8.300 nan 0.000 0.648 20 L N -0.872 120.397 121.223 0.076 0.000 2.078 20 L HA 0.622 4.963 4.340 0.001 0.000 0.116 20 L C 0.278 177.194 176.870 0.077 0.000 1.567 20 L CA 1.160 56.003 54.840 0.005 0.000 1.006 20 L CB 0.526 42.609 42.059 0.040 0.000 1.933 20 L HN 0.327 nan 8.230 nan 0.000 0.452 21 G N 0.169 109.038 108.800 0.116 0.000 2.756 21 G HA2 -0.205 3.755 3.960 0.001 0.000 0.678 21 G HA3 -0.205 3.755 3.960 0.001 0.000 0.678 21 G C 0.014 174.971 174.900 0.095 0.000 1.349 21 G CA -0.047 45.117 45.100 0.105 0.000 0.847 21 G HN 0.777 nan 8.290 nan 0.000 0.548 22 L N 0.254 121.532 121.223 0.091 0.000 2.240 22 L HA 0.165 4.506 4.340 0.001 0.000 0.211 22 L C 2.722 179.647 176.870 0.093 0.000 1.106 22 L CA 2.298 57.189 54.840 0.085 0.000 0.793 22 L CB -0.301 41.801 42.059 0.072 0.000 0.927 22 L HN 0.679 nan 8.230 nan 0.000 0.446 23 E N 0.194 120.457 120.200 0.104 0.000 2.023 23 E HA -0.168 4.182 4.350 0.001 0.000 0.196 23 E C -0.357 176.323 176.600 0.133 0.000 1.003 23 E CA 1.834 58.308 56.400 0.124 0.000 0.809 23 E CB -1.720 28.070 29.700 0.149 0.000 0.755 23 E HN 0.402 nan 8.360 nan 0.000 0.449 24 P HA -0.120 nan 4.420 nan 0.000 0.214 24 P C 1.989 179.357 177.300 0.113 0.000 1.162 24 P CA 1.093 64.267 63.100 0.124 0.000 0.879 24 P CB -0.188 31.569 31.700 0.095 0.000 0.786 25 L N -1.101 120.181 121.223 0.099 0.000 2.021 25 L HA -0.202 4.139 4.340 0.001 0.000 0.215 25 L C 2.806 179.742 176.870 0.110 0.000 1.074 25 L CA 1.561 56.461 54.840 0.101 0.000 0.760 25 L CB -1.048 41.068 42.059 0.096 0.000 0.889 25 L HN -0.067 nan 8.230 nan 0.000 0.433 26 L N -0.838 120.446 121.223 0.102 0.000 2.093 26 L HA -0.212 4.128 4.340 0.001 0.000 0.208 26 L C 2.233 179.164 176.870 0.101 0.000 1.085 26 L CA 0.929 55.824 54.840 0.092 0.000 0.755 26 L CB -0.564 41.539 42.059 0.074 0.000 0.904 26 L HN 0.274 nan 8.230 nan 0.000 0.435 27 D N 0.027 120.500 120.400 0.122 0.000 2.117 27 D HA -0.181 4.459 4.640 0.001 0.000 0.197 27 D C 2.067 178.446 176.300 0.131 0.000 0.987 27 D CA 1.022 55.103 54.000 0.136 0.000 0.829 27 D CB -0.113 40.795 40.800 0.179 0.000 0.961 27 D HN 0.103 nan 8.370 nan 0.000 0.460 28 L N 0.675 121.979 121.223 0.134 0.000 2.042 28 L HA -0.134 4.206 4.340 0.001 0.000 0.210 28 L C 2.089 179.053 176.870 0.157 0.000 1.076 28 L CA 1.289 56.211 54.840 0.136 0.000 0.749 28 L CB -0.731 41.399 42.059 0.118 0.000 0.893 28 L HN 0.028 nan 8.230 nan 0.000 0.432 29 L N -0.789 120.532 121.223 0.163 0.000 1.976 29 L HA -0.176 4.165 4.340 0.001 0.000 0.209 29 L C 2.349 179.330 176.870 0.186 0.000 1.071 29 L CA 1.894 56.858 54.840 0.206 0.000 0.746 29 L CB -0.840 41.318 42.059 0.164 0.000 0.890 29 L HN 0.272 nan 8.230 nan 0.000 0.432 30 L N -0.369 120.921 121.223 0.111 0.000 2.129 30 L HA -0.168 4.172 4.340 0.001 0.000 0.212 30 L C 2.440 179.369 176.870 0.098 0.000 1.087 30 L CA 1.359 56.249 54.840 0.084 0.000 0.757 30 L CB -1.247 40.836 42.059 0.040 0.000 0.896 30 L HN 0.512 nan 8.230 nan 0.000 0.434 31 G N -1.088 107.765 108.800 0.090 0.000 2.408 31 G HA2 -0.122 3.838 3.960 0.001 0.000 0.215 31 G HA3 -0.122 3.838 3.960 0.001 0.000 0.215 31 G C 1.562 176.564 174.900 0.171 0.000 1.156 31 G CA 0.585 45.732 45.100 0.078 0.000 0.793 31 G HN 0.181 nan 8.290 nan 0.000 0.535 32 V N 0.395 120.428 119.914 0.199 0.000 2.548 32 V HA -0.152 3.969 4.120 0.001 0.000 0.249 32 V C 2.412 178.667 176.094 0.270 0.000 1.055 32 V CA 1.798 64.221 62.300 0.205 0.000 1.065 32 V CB -0.486 31.450 31.823 0.189 0.000 0.681 32 V HN 0.562 nan 8.190 nan 0.000 0.462 33 H N -0.044 119.157 119.070 0.219 0.000 2.357 33 H HA -0.182 4.374 4.556 0.001 0.000 0.301 33 H C 2.363 177.761 175.328 0.117 0.000 1.082 33 H CA 2.131 58.294 56.048 0.192 0.000 1.342 33 H CB 0.333 30.160 29.762 0.109 0.000 1.389 33 H HN 0.451 nan 8.280 nan 0.000 0.511 34 Q N 0.974 120.827 119.800 0.089 0.000 2.046 34 Q HA -0.111 4.229 4.340 0.001 0.000 0.200 34 Q C 2.240 178.265 176.000 0.041 0.000 0.975 34 Q CA 1.927 57.747 55.803 0.028 0.000 0.836 34 Q CB -0.007 28.756 28.738 0.042 0.000 0.896 34 Q HN 0.575 nan 8.270 nan 0.000 0.428 35 E N -0.226 120.041 120.200 0.111 0.000 2.047 35 E HA -0.142 4.208 4.350 0.001 0.000 0.191 35 E C 2.106 178.724 176.600 0.031 0.000 0.987 35 E CA 1.261 57.713 56.400 0.087 0.000 0.799 35 E CB -0.175 29.592 29.700 0.112 0.000 0.752 35 E HN 0.359 nan 8.360 nan 0.000 0.449 36 L N 0.527 121.773 121.223 0.037 0.000 2.083 36 L HA -0.109 4.231 4.340 0.001 0.000 0.209 36 L C 2.592 179.455 176.870 -0.010 0.000 1.083 36 L CA 1.103 55.959 54.840 0.027 0.000 0.752 36 L CB -0.715 41.389 42.059 0.076 0.000 0.899 36 L HN 0.241 nan 8.230 nan 0.000 0.433 37 G N -0.277 108.477 108.800 -0.075 0.000 2.440 37 G HA2 -0.255 3.705 3.960 0.001 0.000 0.218 37 G HA3 -0.255 3.705 3.960 0.001 0.000 0.218 37 G C 1.764 176.627 174.900 -0.061 0.000 1.154 37 G CA 0.879 45.907 45.100 -0.119 0.000 0.767 37 G HN 0.474 nan 8.290 nan 0.000 0.552 38 A N 0.762 123.557 122.820 -0.042 0.000 1.872 38 A HA 0.443 4.763 4.320 0.001 0.000 0.214 38 A C 2.054 179.622 177.584 -0.025 0.000 1.187 38 A CA 1.566 53.585 52.037 -0.030 0.000 0.614 38 A CB -1.161 17.825 19.000 -0.025 0.000 0.826 38 A HN 0.949 nan 8.150 nan 0.000 0.442 39 S N -0.853 114.835 115.700 -0.019 0.000 2.550 39 S HA 0.348 4.818 4.470 0.001 0.000 0.285 39 S C 1.149 175.741 174.600 -0.013 0.000 1.326 39 S CA 0.752 58.942 58.200 -0.017 0.000 1.037 39 S CB -0.084 63.110 63.200 -0.009 0.000 0.838 39 S HN 0.984 nan 8.310 nan 0.000 0.519 40 E N 1.101 121.293 120.200 -0.014 0.000 2.347 40 E HA 0.209 4.559 4.350 0.001 0.000 0.196 40 E C 2.359 178.956 176.600 -0.004 0.000 1.008 40 E CA 1.602 57.997 56.400 -0.009 0.000 0.852 40 E CB -1.605 28.088 29.700 -0.011 0.000 0.783 40 E HN 1.608 nan 8.360 nan 0.000 0.505 41 L N 0.395 121.615 121.223 -0.004 0.000 2.081 41 L HA 0.233 4.574 4.340 0.001 0.000 0.212 41 L C 3.096 179.973 176.870 0.010 0.000 1.080 41 L CA 2.825 57.666 54.840 0.001 0.000 0.754 41 L CB -1.792 40.267 42.059 -0.001 0.000 0.893 41 L HN 0.730 nan 8.230 nan 0.000 0.433 42 A N -0.873 121.954 122.820 0.012 0.000 2.042 42 A HA -0.178 4.143 4.320 0.001 0.000 0.222 42 A C 2.539 180.136 177.584 0.022 0.000 1.167 42 A CA 2.847 54.898 52.037 0.023 0.000 0.649 42 A CB -1.034 17.974 19.000 0.013 0.000 0.809 42 A HN 1.341 nan 8.150 nan 0.000 0.457 43 Q N -0.900 118.908 119.800 0.013 0.000 2.248 43 Q HA -0.010 4.330 4.340 0.001 0.000 0.208 43 Q C 1.109 177.119 176.000 0.016 0.000 0.984 43 Q CA 2.079 57.889 55.803 0.012 0.000 0.875 43 Q CB -2.037 26.705 28.738 0.006 0.000 0.910 43 Q HN 1.032 nan 8.270 nan 0.000 0.433 44 D N -0.332 120.079 120.400 0.018 0.000 2.414 44 D HA 0.481 5.122 4.640 0.001 0.000 0.242 44 D C 1.334 177.653 176.300 0.031 0.000 1.129 44 D CA 0.626 54.638 54.000 0.020 0.000 0.885 44 D CB 0.187 40.996 40.800 0.016 0.000 1.198 44 D HN 0.716 nan 8.370 nan 0.000 0.437 45 K N 0.006 120.424 120.400 0.029 0.000 1.973 45 K HA -0.037 4.284 4.320 0.001 0.000 0.210 45 K C 2.137 178.768 176.600 0.051 0.000 1.045 45 K CA 2.060 58.369 56.287 0.037 0.000 0.937 45 K CB -1.659 30.858 32.500 0.028 0.000 0.721 45 K HN 0.966 nan 8.250 nan 0.000 0.438 46 Y N 0.755 121.080 120.300 0.042 0.000 2.241 46 Y HA -0.131 4.419 4.550 0.001 0.000 0.286 46 Y C 2.054 178.003 175.900 0.081 0.000 1.166 46 Y CA 1.018 59.148 58.100 0.049 0.000 1.203 46 Y CB -1.451 37.023 38.460 0.023 0.000 0.977 46 Y HN -0.056 nan 8.280 nan 0.000 0.529 47 V N 1.051 121.008 119.914 0.072 0.000 2.307 47 V HA -0.237 3.884 4.120 0.001 0.000 0.245 47 V C 2.838 179.038 176.094 0.176 0.000 1.045 47 V CA 1.712 64.075 62.300 0.104 0.000 1.024 47 V CB -1.380 30.479 31.823 0.060 0.000 0.651 47 V HN 0.613 nan 8.190 nan 0.000 0.449 48 A N -0.061 122.833 122.820 0.124 0.000 1.933 48 A HA -0.234 4.086 4.320 0.001 0.000 0.218 48 A C 1.994 179.666 177.584 0.147 0.000 1.175 48 A CA 1.833 53.943 52.037 0.121 0.000 0.628 48 A CB -0.603 18.442 19.000 0.075 0.000 0.814 48 A HN 0.560 nan 8.150 nan 0.000 0.444 49 D N -0.862 119.623 120.400 0.142 0.000 2.133 49 D HA -0.187 4.454 4.640 0.001 0.000 0.195 49 D C 1.638 178.069 176.300 0.219 0.000 0.997 49 D CA 1.572 55.660 54.000 0.146 0.000 0.840 49 D CB -0.436 40.430 40.800 0.111 0.000 0.947 49 D HN 0.537 nan 8.370 nan 0.000 0.452 50 F N 1.526 121.551 119.950 0.125 0.000 2.134 50 F HA -0.120 4.408 4.527 0.001 0.000 0.299 50 F C 2.249 178.236 175.800 0.313 0.000 1.097 50 F CA 0.963 59.088 58.000 0.208 0.000 1.264 50 F CB -0.321 38.765 39.000 0.143 0.000 1.001 50 F HN -0.149 nan 8.300 nan 0.000 0.479 51 L N 0.143 121.525 121.223 0.264 0.000 2.042 51 L HA -0.270 4.070 4.340 0.001 0.000 0.210 51 L C 2.665 179.582 176.870 0.079 0.000 1.076 51 L CA 1.954 56.891 54.840 0.163 0.000 0.749 51 L CB -0.846 41.312 42.059 0.164 0.000 0.893 51 L HN 0.298 nan 8.230 nan 0.000 0.432 52 Q N -0.810 119.045 119.800 0.093 0.000 2.226 52 Q HA -0.267 4.074 4.340 0.001 0.000 0.204 52 Q C 2.096 178.125 176.000 0.050 0.000 0.975 52 Q CA 1.732 57.574 55.803 0.065 0.000 0.866 52 Q CB -0.160 28.625 28.738 0.079 0.000 0.915 52 Q HN 0.596 nan 8.270 nan 0.000 0.440 53 W N -0.117 121.099 121.300 -0.139 0.000 2.476 53 W HA 0.104 4.765 4.660 0.001 0.000 0.281 53 W C 1.783 178.150 176.519 -0.253 0.000 1.230 53 W CA 1.403 58.642 57.345 -0.178 0.000 1.287 53 W CB -0.143 29.210 29.460 -0.179 0.000 1.108 53 W HN 0.153 nan 8.180 nan 0.000 0.567 54 A N -0.056 122.450 122.820 -0.523 0.000 1.943 54 A HA -0.054 4.266 4.320 0.001 0.000 0.213 54 A C 1.758 178.990 177.584 -0.588 0.000 1.181 54 A CA 1.463 53.027 52.037 -0.788 0.000 0.653 54 A CB -0.838 17.806 19.000 -0.594 0.000 0.833 54 A HN 0.277 nan 8.150 nan 0.000 0.451 55 E N 0.759 120.766 120.200 -0.321 0.000 2.086 55 E HA -0.200 4.151 4.350 0.001 0.000 0.205 55 E C -0.522 175.923 176.600 -0.258 0.000 1.027 55 E CA 2.609 58.886 56.400 -0.204 0.000 0.830 55 E CB -0.862 28.826 29.700 -0.020 0.000 0.751 55 E HN 0.490 nan 8.360 nan 0.000 0.456 56 P HA -0.146 nan 4.420 nan 0.000 0.215 56 P C 1.467 178.594 177.300 -0.288 0.000 1.153 56 P CA 1.477 64.435 63.100 -0.236 0.000 0.853 56 P CB -0.104 31.461 31.700 -0.225 0.000 0.788 57 I N -0.690 119.629 120.570 -0.418 0.000 2.252 57 I HA -0.175 3.996 4.170 0.001 0.000 0.245 57 I C 2.593 178.509 176.117 -0.335 0.000 1.102 57 I CA 1.070 62.127 61.300 -0.405 0.000 1.385 57 I CB -0.816 36.830 38.000 -0.589 0.000 1.064 57 I HN -0.225 nan 8.210 nan 0.000 0.414 58 V N 0.160 119.827 119.914 -0.411 0.000 2.295 58 V HA -0.249 3.872 4.120 0.001 0.000 0.246 58 V C 2.448 178.400 176.094 -0.238 0.000 1.049 58 V CA 1.596 63.676 62.300 -0.366 0.000 1.024 58 V CB -0.498 30.940 31.823 -0.641 0.000 0.648 58 V HN 0.238 nan 8.190 nan 0.000 0.447 59 V N 0.068 119.851 119.914 -0.218 0.000 2.255 59 V HA -0.291 3.830 4.120 0.001 0.000 0.247 59 V C 2.879 178.897 176.094 -0.126 0.000 1.051 59 V CA 2.576 64.791 62.300 -0.142 0.000 1.018 59 V CB -0.750 31.002 31.823 -0.118 0.000 0.641 59 V HN 0.569 nan 8.190 nan 0.000 0.445 60 R N -0.609 119.809 120.500 -0.137 0.000 2.081 60 R HA -0.101 4.240 4.340 0.001 0.000 0.235 60 R C 2.224 178.457 176.300 -0.111 0.000 1.131 60 R CA 1.872 57.903 56.100 -0.116 0.000 0.960 60 R CB -1.088 29.143 30.300 -0.115 0.000 0.856 60 R HN 0.658 nan 8.270 nan 0.000 0.436 61 L N 0.476 121.624 121.223 -0.125 0.000 1.990 61 L HA -0.196 4.144 4.340 0.001 0.000 0.213 61 L C 2.956 179.769 176.870 -0.095 0.000 1.072 61 L CA 2.426 57.203 54.840 -0.105 0.000 0.755 61 L CB -0.461 41.531 42.059 -0.111 0.000 0.889 61 L HN 0.337 nan 8.230 nan 0.000 0.432 62 K N -0.301 120.041 120.400 -0.098 0.000 2.063 62 K HA -0.232 4.089 4.320 0.001 0.000 0.208 62 K C 2.298 178.838 176.600 -0.100 0.000 1.048 62 K CA 1.805 58.040 56.287 -0.086 0.000 0.928 62 K CB -0.404 32.053 32.500 -0.072 0.000 0.713 62 K HN 0.445 nan 8.250 nan 0.000 0.442 63 E N 0.905 121.046 120.200 -0.098 0.000 2.130 63 E HA -0.170 4.181 4.350 0.001 0.000 0.196 63 E C 2.031 178.561 176.600 -0.116 0.000 0.998 63 E CA 1.846 58.185 56.400 -0.101 0.000 0.806 63 E CB -1.197 28.449 29.700 -0.090 0.000 0.738 63 E HN 0.380 nan 8.360 nan 0.000 0.459 64 V N -0.012 119.834 119.914 -0.113 0.000 3.307 64 V HA 0.317 4.437 4.120 0.001 0.000 0.253 64 V C 1.730 177.737 176.094 -0.144 0.000 1.149 64 V CA 0.692 62.921 62.300 -0.119 0.000 1.112 64 V CB -0.005 31.762 31.823 -0.094 0.000 0.777 64 V HN 0.284 nan 8.190 nan 0.000 0.464 65 R N -0.252 120.162 120.500 -0.142 0.000 2.560 65 R HA 0.638 4.978 4.340 0.001 0.000 0.270 65 R C -0.630 175.505 176.300 -0.275 0.000 1.074 65 R CA -0.494 55.505 56.100 -0.169 0.000 1.140 65 R CB 1.160 31.397 30.300 -0.105 0.000 1.073 65 R HN 0.444 nan 8.270 nan 0.000 0.527 66 L N 2.389 123.362 121.223 -0.418 0.000 2.380 66 L HA 0.112 4.452 4.340 0.001 0.000 0.273 66 L C 0.134 176.492 176.870 -0.855 0.000 1.138 66 L CA 0.440 54.842 54.840 -0.729 0.000 0.832 66 L CB 0.746 42.148 42.059 -1.095 0.000 1.124 66 L HN 0.558 nan 8.230 nan 0.000 0.454 67 Q N 1.649 121.069 119.800 -0.634 0.000 2.587 67 Q HA 0.361 4.701 4.340 0.001 0.000 0.293 67 Q C 0.253 176.166 176.000 -0.145 0.000 1.083 67 Q CA -0.933 54.673 55.803 -0.328 0.000 0.792 67 Q CB 1.950 30.596 28.738 -0.152 0.000 1.484 67 Q HN 0.387 nan 8.270 nan 0.000 0.446 68 R N 0.721 121.204 120.500 -0.027 0.000 2.092 68 R HA -0.172 4.168 4.340 0.001 0.000 0.231 68 R C 1.619 178.002 176.300 0.140 0.000 1.119 68 R CA 2.239 58.382 56.100 0.072 0.000 0.970 68 R CB -0.548 29.793 30.300 0.068 0.000 0.864 68 R HN 0.941 nan 8.270 nan 0.000 0.440 69 D N 0.465 120.891 120.400 0.043 0.000 2.263 69 D HA -0.148 4.493 4.640 0.001 0.000 0.208 69 D C 1.302 177.569 176.300 -0.054 0.000 0.971 69 D CA 1.222 55.230 54.000 0.014 0.000 0.867 69 D CB -0.395 40.398 40.800 -0.012 0.000 0.929 69 D HN 0.315 nan 8.370 nan 0.000 0.492 70 D N -1.094 119.216 120.400 -0.150 0.000 2.310 70 D HA 0.073 4.713 4.640 0.001 0.000 0.212 70 D C -0.284 175.672 176.300 -0.574 0.000 0.965 70 D CA 0.494 54.246 54.000 -0.412 0.000 0.879 70 D CB -0.080 40.321 40.800 -0.665 0.000 0.921 70 D HN 0.550 nan 8.370 nan 0.000 0.510 71 F N 0.691 120.602 119.950 -0.065 0.000 2.520 71 F HA 0.285 4.812 4.527 0.001 0.000 0.322 71 F C 0.640 176.454 175.800 0.022 0.000 1.103 71 F CA -1.081 56.912 58.000 -0.012 0.000 0.926 71 F CB 1.496 40.509 39.000 0.021 0.000 1.154 71 F HN -0.394 nan 8.300 nan 0.000 0.453 72 E N 3.179 123.490 120.200 0.184 0.000 2.194 72 E HA 0.281 4.631 4.350 0.001 0.000 0.284 72 E C -0.804 175.881 176.600 0.142 0.000 1.035 72 E CA -0.597 55.892 56.400 0.148 0.000 0.836 72 E CB 1.720 31.436 29.700 0.027 0.000 1.070 72 E HN 0.345 nan 8.360 nan 0.000 0.401 73 I N 4.048 124.739 120.570 0.203 0.000 2.379 73 I HA -0.046 4.124 4.170 0.001 0.000 0.290 73 I C 1.169 177.376 176.117 0.150 0.000 1.063 73 I CA 0.474 61.867 61.300 0.156 0.000 1.351 73 I CB 0.466 38.559 38.000 0.154 0.000 1.410 73 I HN 0.519 nan 8.210 nan 0.000 0.505 74 L N 4.990 126.218 121.223 0.008 0.000 2.286 74 L HA 0.273 4.613 4.340 0.001 0.000 0.203 74 L C 0.845 177.733 176.870 0.030 0.000 1.068 74 L CA 0.308 55.098 54.840 -0.084 0.000 0.811 74 L CB -0.031 41.915 42.059 -0.188 0.000 0.989 74 L HN 0.483 nan 8.230 nan 0.000 0.467 75 K N 0.424 120.829 120.400 0.009 0.000 2.587 75 K HA 0.281 4.602 4.320 0.001 0.000 0.256 75 K C -1.469 175.138 176.600 0.011 0.000 0.974 75 K CA -0.406 55.892 56.287 0.018 0.000 0.855 75 K CB 2.434 34.928 32.500 -0.010 0.000 1.292 75 K HN -0.268 nan 8.250 nan 0.000 0.444 76 V N 6.508 126.440 119.914 0.030 0.000 2.521 76 V HA 0.100 4.220 4.120 0.001 0.000 0.286 76 V C 1.304 177.417 176.094 0.031 0.000 1.034 76 V CA 0.150 62.465 62.300 0.026 0.000 1.045 76 V CB 0.581 32.420 31.823 0.027 0.000 0.974 76 V HN 0.760 nan 8.190 nan 0.000 0.480 77 I N 1.658 122.250 120.570 0.037 0.000 4.181 77 I HA 0.623 4.794 4.170 0.001 0.000 0.331 77 I C 0.804 176.956 176.117 0.058 0.000 1.312 77 I CA 0.161 61.496 61.300 0.058 0.000 1.146 77 I CB 0.689 38.744 38.000 0.092 0.000 1.074 77 I HN 0.592 nan 8.210 nan 0.000 0.402 78 G N 1.710 110.538 108.800 0.046 0.000 2.667 78 G HA2 0.721 4.681 3.960 0.001 0.000 0.298 78 G HA3 0.721 4.681 3.960 0.001 0.000 0.298 78 G C -1.316 173.597 174.900 0.022 0.000 1.377 78 G CA -0.789 44.333 45.100 0.037 0.000 0.964 78 G HN 0.104 nan 8.290 nan 0.000 0.493 79 R N 1.030 121.537 120.500 0.011 0.000 2.507 79 R HA 0.519 4.860 4.340 0.001 0.000 0.298 79 R C 0.144 176.433 176.300 -0.019 0.000 1.087 79 R CA -0.675 55.425 56.100 -0.000 0.000 0.917 79 R CB 2.174 32.476 30.300 0.002 0.000 1.173 79 R HN 0.697 nan 8.270 nan 0.000 0.472 80 G N 0.452 109.234 108.800 -0.030 0.000 2.642 80 G HA2 0.464 4.425 3.960 0.001 0.000 0.291 80 G HA3 0.464 4.425 3.960 0.001 0.000 0.291 80 G C 0.790 175.603 174.900 -0.144 0.000 1.345 80 G CA -0.018 45.038 45.100 -0.072 0.000 1.043 80 G HN 0.492 nan 8.290 nan 0.000 0.528 81 A N -1.001 121.641 122.820 -0.297 0.000 1.877 81 A HA 0.157 4.477 4.320 0.001 0.000 0.216 81 A C 1.256 178.493 177.584 -0.578 0.000 1.186 81 A CA 1.214 52.877 52.037 -0.622 0.000 0.620 81 A CB -0.398 17.940 19.000 -1.104 0.000 0.822 81 A HN 0.546 nan 8.150 nan 0.000 0.443 82 F N -0.341 119.612 119.950 0.005 0.000 2.835 82 F HA 0.339 4.867 4.527 0.001 0.000 0.342 82 F C 0.295 176.093 175.800 -0.002 0.000 1.202 82 F CA 0.119 58.119 58.000 0.000 0.000 1.240 82 F CB 0.676 39.677 39.000 0.002 0.000 1.005 82 F HN 0.194 nan 8.300 nan 0.000 0.507 83 S N -1.201 114.559 115.700 0.101 0.000 2.565 83 S HA 0.523 4.993 4.470 0.001 0.000 0.274 83 S C -1.335 173.276 174.600 0.018 0.000 1.144 83 S CA -1.059 57.173 58.200 0.054 0.000 0.849 83 S CB 2.344 65.579 63.200 0.058 0.000 1.103 83 S HN 0.174 nan 8.310 nan 0.000 0.455 84 E N 0.402 120.601 120.200 -0.002 0.000 2.244 84 E HA 0.717 5.068 4.350 0.001 0.000 0.266 84 E C -1.364 175.236 176.600 -0.000 0.000 0.914 84 E CA -1.192 55.205 56.400 -0.004 0.000 0.794 84 E CB 2.356 32.045 29.700 -0.018 0.000 1.210 84 E HN 0.452 nan 8.360 nan 0.000 0.414 85 V N 1.330 121.254 119.914 0.017 0.000 2.531 85 V HA 0.648 4.768 4.120 0.001 0.000 0.301 85 V C -0.683 175.428 176.094 0.028 0.000 1.034 85 V CA -0.616 61.703 62.300 0.032 0.000 0.865 85 V CB 1.483 33.342 31.823 0.060 0.000 0.995 85 V HN 0.778 nan 8.190 nan 0.000 0.424 86 A N 4.226 127.057 122.820 0.019 0.000 2.365 86 A HA 0.846 5.167 4.320 0.001 0.000 0.318 86 A C -0.633 176.936 177.584 -0.025 0.000 1.091 86 A CA -0.626 51.414 52.037 0.004 0.000 0.763 86 A CB 1.703 20.711 19.000 0.014 0.000 1.248 86 A HN 0.638 nan 8.150 nan 0.000 0.442 87 V N 2.354 122.211 119.914 -0.095 0.000 2.572 87 V HA 0.369 4.490 4.120 0.001 0.000 0.291 87 V C 0.341 176.380 176.094 -0.092 0.000 1.039 87 V CA 0.325 62.499 62.300 -0.209 0.000 1.055 87 V CB 0.660 32.236 31.823 -0.411 0.000 0.969 87 V HN 1.027 nan 8.190 nan 0.000 0.482 88 V N 2.463 122.362 119.914 -0.024 0.000 2.876 88 V HA 0.668 4.788 4.120 0.001 0.000 0.312 88 V C -0.628 175.559 176.094 0.154 0.000 1.085 88 V CA -1.212 61.138 62.300 0.084 0.000 0.945 88 V CB 1.923 33.830 31.823 0.140 0.000 1.017 88 V HN 0.784 nan 8.190 nan 0.000 0.428 89 K N 4.017 124.499 120.400 0.137 0.000 2.265 89 K HA 0.570 4.890 4.320 0.001 0.000 0.267 89 K C -0.447 176.278 176.600 0.210 0.000 0.994 89 K CA -0.724 55.634 56.287 0.118 0.000 0.860 89 K CB 1.632 34.118 32.500 -0.023 0.000 1.099 89 K HN 0.990 nan 8.250 nan 0.000 0.448 90 M N 4.676 124.437 119.600 0.269 0.000 2.233 90 M HA 0.069 4.550 4.480 0.001 0.000 0.350 90 M C 0.423 176.655 176.300 -0.112 0.000 1.176 90 M CA 0.472 55.759 55.300 -0.021 0.000 1.150 90 M CB 0.809 33.417 32.600 0.015 0.000 1.530 90 M HN 0.645 nan 8.290 nan 0.000 0.459 91 K N 2.440 122.697 120.400 -0.238 0.000 2.076 91 K HA -0.106 4.214 4.320 0.001 0.000 0.204 91 K C 2.205 178.724 176.600 -0.136 0.000 1.051 91 K CA 1.640 57.833 56.287 -0.156 0.000 0.949 91 K CB -0.177 32.224 32.500 -0.165 0.000 0.726 91 K HN 0.876 nan 8.250 nan 0.000 0.443 92 Q N 0.752 120.446 119.800 -0.177 0.000 2.224 92 Q HA -0.114 4.226 4.340 0.001 0.000 0.203 92 Q C 1.869 177.818 176.000 -0.084 0.000 0.970 92 Q CA 2.048 57.772 55.803 -0.132 0.000 0.865 92 Q CB -0.792 27.852 28.738 -0.157 0.000 0.922 92 Q HN 0.578 nan 8.270 nan 0.000 0.445 93 T N -6.561 107.953 114.554 -0.066 0.000 2.975 93 T HA 0.443 4.794 4.350 0.001 0.000 0.257 93 T C 1.752 176.439 174.700 -0.021 0.000 1.003 93 T CA 1.073 63.157 62.100 -0.026 0.000 0.932 93 T CB 0.576 69.453 68.868 0.015 0.000 1.087 93 T HN 1.545 nan 8.240 nan 0.000 0.512 94 G N 1.559 110.343 108.800 -0.026 0.000 2.184 94 G HA2 -0.283 3.678 3.960 0.001 0.000 0.264 94 G HA3 -0.283 3.678 3.960 0.001 0.000 0.264 94 G C -0.055 174.825 174.900 -0.032 0.000 0.975 94 G CA 0.321 45.404 45.100 -0.030 0.000 0.642 94 G HN 0.713 nan 8.290 nan 0.000 0.536 95 Q N -0.478 119.315 119.800 -0.012 0.000 2.421 95 Q HA 0.521 4.862 4.340 0.001 0.000 0.255 95 Q C 0.234 176.116 176.000 -0.196 0.000 1.013 95 Q CA 0.182 55.908 55.803 -0.129 0.000 0.895 95 Q CB 2.198 30.862 28.738 -0.123 0.000 1.271 95 Q HN 0.497 nan 8.270 nan 0.000 0.460 96 V N 2.886 122.559 119.914 -0.402 0.000 2.513 96 V HA 0.569 4.689 4.120 0.001 0.000 0.299 96 V C -1.670 174.121 176.094 -0.505 0.000 1.035 96 V CA -0.294 61.841 62.300 -0.275 0.000 0.889 96 V CB 0.660 32.393 31.823 -0.150 0.000 0.988 96 V HN 0.685 nan 8.190 nan 0.000 0.440 97 Y N 3.424 123.746 120.300 0.037 0.000 2.615 97 Y HA 0.783 5.334 4.550 0.001 0.000 0.341 97 Y C 0.186 176.094 175.900 0.013 0.000 1.089 97 Y CA -0.496 57.645 58.100 0.068 0.000 1.049 97 Y CB 2.112 40.648 38.460 0.127 0.000 1.296 97 Y HN 0.791 nan 8.280 nan 0.000 0.470 98 A N 2.457 125.438 122.820 0.268 0.000 2.260 98 A HA 0.697 5.017 4.320 0.001 0.000 0.314 98 A C -0.826 176.848 177.584 0.151 0.000 1.257 98 A CA -0.562 51.579 52.037 0.173 0.000 0.871 98 A CB 0.444 19.604 19.000 0.265 0.000 1.166 98 A HN 0.778 nan 8.150 nan 0.000 0.522 99 M N 3.361 123.005 119.600 0.073 0.000 2.294 99 M HA 0.420 4.900 4.480 0.001 0.000 0.335 99 M C -0.579 175.742 176.300 0.035 0.000 1.079 99 M CA -0.432 54.886 55.300 0.029 0.000 0.982 99 M CB 1.227 33.792 32.600 -0.057 0.000 1.651 99 M HN 0.668 nan 8.290 nan 0.000 0.437 100 K N 6.311 126.733 120.400 0.038 0.000 2.240 100 K HA 0.534 4.855 4.320 0.001 0.000 0.271 100 K C -1.566 174.997 176.600 -0.062 0.000 1.018 100 K CA -0.455 55.842 56.287 0.016 0.000 0.874 100 K CB 0.870 33.404 32.500 0.057 0.000 1.098 100 K HN 0.766 nan 8.250 nan 0.000 0.458 101 I N 5.372 125.868 120.570 -0.122 0.000 2.377 101 I HA 0.340 4.510 4.170 0.001 0.000 0.293 101 I C -0.311 175.683 176.117 -0.206 0.000 0.987 101 I CA -0.769 60.347 61.300 -0.307 0.000 1.185 101 I CB 1.681 39.462 38.000 -0.365 0.000 1.341 101 I HN 0.545 nan 8.210 nan 0.000 0.455 102 M N 5.414 124.868 119.600 -0.243 0.000 2.457 102 M HA 0.315 4.795 4.480 0.001 0.000 0.300 102 M C -0.527 175.732 176.300 -0.067 0.000 1.141 102 M CA -0.649 54.587 55.300 -0.107 0.000 0.901 102 M CB 2.284 34.822 32.600 -0.103 0.000 1.687 102 M HN 0.422 nan 8.290 nan 0.000 0.449 103 N N 2.405 121.111 118.700 0.009 0.000 2.408 103 N HA 0.172 4.912 4.740 0.001 0.000 0.257 103 N C 0.239 175.631 175.510 -0.198 0.000 1.064 103 N CA 0.317 53.341 53.050 -0.043 0.000 0.952 103 N CB 1.110 39.626 38.487 0.049 0.000 1.093 103 N HN 0.652 nan 8.380 nan 0.000 0.490 104 K N 2.910 123.100 120.400 -0.350 0.000 2.020 104 K HA -0.197 4.124 4.320 0.001 0.000 0.212 104 K C 1.704 178.289 176.600 -0.026 0.000 1.050 104 K CA 1.513 57.556 56.287 -0.406 0.000 0.929 104 K CB -0.123 32.038 32.500 -0.566 0.000 0.714 104 K HN 0.674 nan 8.250 nan 0.000 0.443 105 W N 2.099 123.265 121.300 -0.222 0.000 2.325 105 W HA -0.317 4.344 4.660 0.001 0.000 0.299 105 W C 1.132 177.574 176.519 -0.129 0.000 1.215 105 W CA 1.211 58.469 57.345 -0.145 0.000 1.244 105 W CB 0.012 29.385 29.460 -0.145 0.000 1.140 105 W HN 0.179 nan 8.180 nan 0.000 0.523 106 D N -0.180 120.127 120.400 -0.156 0.000 2.117 106 D HA -0.192 4.448 4.640 0.001 0.000 0.198 106 D C 2.266 178.358 176.300 -0.346 0.000 0.982 106 D CA 1.430 55.228 54.000 -0.337 0.000 0.828 106 D CB -0.506 40.152 40.800 -0.237 0.000 0.967 106 D HN 0.019 nan 8.370 nan 0.000 0.464 107 M N -0.038 119.436 119.600 -0.209 0.000 2.202 107 M HA -0.078 4.402 4.480 0.001 0.000 0.262 107 M C 2.171 178.441 176.300 -0.051 0.000 1.063 107 M CA 0.904 56.130 55.300 -0.122 0.000 1.097 107 M CB -0.854 31.645 32.600 -0.168 0.000 1.382 107 M HN 0.113 nan 8.290 nan 0.000 0.413 108 L N -0.683 120.515 121.223 -0.041 0.000 2.072 108 L HA -0.183 4.157 4.340 0.001 0.000 0.205 108 L C 2.476 179.238 176.870 -0.179 0.000 1.079 108 L CA 1.002 55.830 54.840 -0.020 0.000 0.752 108 L CB -0.515 41.636 42.059 0.153 0.000 0.906 108 L HN 0.313 nan 8.230 nan 0.000 0.436 109 K N -0.347 119.810 120.400 -0.405 0.000 1.984 109 K HA -0.164 4.156 4.320 0.001 0.000 0.209 109 K C 2.349 178.767 176.600 -0.304 0.000 1.046 109 K CA 1.124 57.135 56.287 -0.461 0.000 0.934 109 K CB -0.310 31.780 32.500 -0.683 0.000 0.717 109 K HN -0.042 nan 8.250 nan 0.000 0.438 110 R N 0.653 120.943 120.500 -0.350 0.000 2.185 110 R HA -0.130 4.210 4.340 0.001 0.000 0.247 110 R C 1.200 177.416 176.300 -0.140 0.000 1.159 110 R CA 1.320 57.240 56.100 -0.300 0.000 0.988 110 R CB -1.556 28.465 30.300 -0.464 0.000 0.871 110 R HN 0.716 nan 8.270 nan 0.000 0.458 111 G N -2.396 106.346 108.800 -0.097 0.000 2.552 111 G HA2 -0.452 3.508 3.960 0.001 0.000 0.265 111 G HA3 -0.452 3.508 3.960 0.001 0.000 0.265 111 G C 0.959 175.857 174.900 -0.003 0.000 1.234 111 G CA 1.118 46.194 45.100 -0.040 0.000 0.944 111 G HN 0.796 nan 8.290 nan 0.000 0.568 112 E N -1.068 119.127 120.200 -0.008 0.000 2.147 112 E HA 0.049 4.400 4.350 0.001 0.000 0.199 112 E C 3.745 180.347 176.600 0.004 0.000 1.005 112 E CA 4.089 60.486 56.400 -0.006 0.000 0.810 112 E CB -1.104 28.589 29.700 -0.012 0.000 0.736 112 E HN 2.363 nan 8.360 nan 0.000 0.460 113 V N 1.505 121.426 119.914 0.011 0.000 2.392 113 V HA -0.044 4.076 4.120 0.001 0.000 0.249 113 V C 2.047 178.171 176.094 0.050 0.000 1.059 113 V CA 2.329 64.648 62.300 0.032 0.000 1.051 113 V CB -1.007 30.842 31.823 0.044 0.000 0.658 113 V HN 0.627 nan 8.190 nan 0.000 0.455 114 S N -1.733 114.000 115.700 0.054 0.000 2.617 114 S HA 0.354 4.825 4.470 0.001 0.000 0.269 114 S C -0.061 174.582 174.600 0.071 0.000 1.292 114 S CA 0.168 58.429 58.200 0.102 0.000 1.010 114 S CB 1.320 64.603 63.200 0.138 0.000 0.944 114 S HN 0.646 nan 8.310 nan 0.000 0.536 115 C N 2.494 121.844 119.300 0.083 0.000 2.913 115 C HA 0.267 4.728 4.460 0.001 0.000 0.246 115 C C 1.314 176.303 174.990 -0.003 0.000 1.857 115 C CA -0.934 58.071 59.018 -0.021 0.000 1.690 115 C CB -2.479 25.270 27.740 0.016 0.000 3.235 115 C HN 0.958 nan 8.230 nan 0.000 0.475 116 F N 2.015 122.044 119.950 0.131 0.000 2.154 116 F HA -0.106 4.422 4.527 0.001 0.000 0.301 116 F C 2.284 178.243 175.800 0.264 0.000 1.087 116 F CA 1.935 60.058 58.000 0.205 0.000 1.274 116 F CB -0.888 38.241 39.000 0.215 0.000 1.009 116 F HN 0.218 nan 8.300 nan 0.000 0.485 117 R N 0.836 121.018 120.500 -0.530 0.000 2.073 117 R HA -0.105 4.235 4.340 0.001 0.000 0.234 117 R C 1.926 178.184 176.300 -0.069 0.000 1.134 117 R CA 1.917 57.897 56.100 -0.200 0.000 0.952 117 R CB -1.765 28.308 30.300 -0.377 0.000 0.850 117 R HN 0.539 nan 8.270 nan 0.000 0.433 118 E N 0.227 120.374 120.200 -0.088 0.000 2.031 118 E HA -0.167 4.183 4.350 0.001 0.000 0.193 118 E C 2.020 178.532 176.600 -0.146 0.000 0.994 118 E CA 1.402 57.770 56.400 -0.052 0.000 0.800 118 E CB -0.223 29.501 29.700 0.040 0.000 0.752 118 E HN 0.801 nan 8.360 nan 0.000 0.447 119 E N 0.675 120.854 120.200 -0.035 0.000 2.086 119 E HA -0.327 4.023 4.350 0.001 0.000 0.200 119 E C 2.232 178.789 176.600 -0.072 0.000 1.012 119 E CA 1.325 57.734 56.400 0.016 0.000 0.812 119 E CB 0.042 29.822 29.700 0.133 0.000 0.743 119 E HN 0.011 nan 8.360 nan 0.000 0.453 120 R N 0.555 121.019 120.500 -0.060 0.000 2.062 120 R HA -0.134 4.206 4.340 0.001 0.000 0.229 120 R C 1.638 177.783 176.300 -0.258 0.000 1.128 120 R CA 1.856 57.839 56.100 -0.195 0.000 0.960 120 R CB -0.501 29.617 30.300 -0.303 0.000 0.855 120 R HN 0.217 nan 8.270 nan 0.000 0.432 121 D N 0.317 120.592 120.400 -0.209 0.000 2.104 121 D HA -0.136 4.504 4.640 0.001 0.000 0.194 121 D C 2.004 178.100 176.300 -0.340 0.000 0.994 121 D CA 1.378 55.251 54.000 -0.211 0.000 0.830 121 D CB -0.171 40.578 40.800 -0.085 0.000 0.959 121 D HN 0.070 nan 8.370 nan 0.000 0.452 122 V N 0.876 120.471 119.914 -0.530 0.000 2.295 122 V HA -0.206 3.914 4.120 0.001 0.000 0.246 122 V C 2.640 178.395 176.094 -0.566 0.000 1.049 122 V CA 1.125 63.018 62.300 -0.679 0.000 1.024 122 V CB -0.478 30.778 31.823 -0.945 0.000 0.648 122 V HN 0.190 nan 8.190 nan 0.000 0.447 123 L N -0.536 120.394 121.223 -0.488 0.000 2.191 123 L HA -0.122 4.219 4.340 0.001 0.000 0.212 123 L C 2.327 178.962 176.870 -0.392 0.000 1.103 123 L CA 0.875 55.486 54.840 -0.381 0.000 0.769 123 L CB -0.462 41.461 42.059 -0.227 0.000 0.908 123 L HN 0.196 nan 8.230 nan 0.000 0.438 124 V N -0.408 119.235 119.914 -0.451 0.000 2.649 124 V HA -0.099 4.021 4.120 0.001 0.000 0.248 124 V C 1.703 177.577 176.094 -0.366 0.000 1.054 124 V CA 1.339 63.282 62.300 -0.596 0.000 1.073 124 V CB -0.279 31.183 31.823 -0.602 0.000 0.699 124 V HN 0.499 nan 8.190 nan 0.000 0.463 125 N N -0.098 118.446 118.700 -0.261 0.000 2.250 125 N HA 0.113 4.853 4.740 0.001 0.000 0.190 125 N C 1.008 176.444 175.510 -0.124 0.000 1.116 125 N CA 0.557 53.519 53.050 -0.147 0.000 0.881 125 N CB 0.534 38.971 38.487 -0.084 0.000 1.006 125 N HN 0.452 nan 8.380 nan 0.000 0.491 126 G N 0.481 109.167 108.800 -0.191 0.000 2.634 126 G HA2 0.007 3.967 3.960 0.001 0.000 0.255 126 G HA3 0.007 3.967 3.960 0.001 0.000 0.255 126 G C -0.456 174.400 174.900 -0.073 0.000 1.205 126 G CA -0.109 44.899 45.100 -0.154 0.000 0.884 126 G HN -0.022 nan 8.290 nan 0.000 0.549 127 D N -0.667 119.735 120.400 0.004 0.000 2.339 127 D HA 0.154 4.794 4.640 0.001 0.000 0.241 127 D C 1.410 177.724 176.300 0.023 0.000 1.183 127 D CA -0.361 53.670 54.000 0.052 0.000 0.859 127 D CB 0.751 41.661 40.800 0.184 0.000 1.067 127 D HN 0.315 nan 8.370 nan 0.000 0.484 128 R N 2.768 123.242 120.500 -0.043 0.000 2.307 128 R HA 0.084 4.425 4.340 0.001 0.000 0.199 128 R C 1.898 178.115 176.300 -0.139 0.000 1.000 128 R CA -0.013 56.052 56.100 -0.058 0.000 1.023 128 R CB 0.362 30.628 30.300 -0.057 0.000 0.908 128 R HN 0.297 nan 8.270 nan 0.000 0.473 129 R N -0.331 119.996 120.500 -0.289 0.000 2.117 129 R HA -0.188 4.153 4.340 0.001 0.000 0.243 129 R C 0.860 176.720 176.300 -0.732 0.000 1.143 129 R CA 1.688 57.379 56.100 -0.682 0.000 0.968 129 R CB -0.051 29.568 30.300 -1.136 0.000 0.863 129 R HN 0.421 nan 8.270 nan 0.000 0.444 130 W N -0.159 121.134 121.300 -0.012 0.000 2.942 130 W HA 0.300 4.960 4.660 0.001 0.000 0.260 130 W C 0.835 177.358 176.519 0.007 0.000 1.101 130 W CA -0.743 56.596 57.345 -0.011 0.000 1.436 130 W CB 0.308 29.766 29.460 -0.004 0.000 0.883 130 W HN -0.136 nan 8.180 nan 0.000 0.646 131 I N -0.077 120.626 120.570 0.222 0.000 2.607 131 I HA 0.595 4.766 4.170 0.001 0.000 0.305 131 I C 0.764 176.977 176.117 0.161 0.000 0.995 131 I CA -0.994 60.447 61.300 0.236 0.000 1.148 131 I CB 1.266 39.366 38.000 0.167 0.000 1.323 131 I HN -0.160 nan 8.210 nan 0.000 0.461 132 T N 1.527 116.215 114.554 0.224 0.000 2.905 132 T HA -0.001 4.349 4.350 0.001 0.000 0.299 132 T C 0.034 174.892 174.700 0.263 0.000 1.024 132 T CA -0.239 62.031 62.100 0.283 0.000 1.151 132 T CB 0.509 69.592 68.868 0.359 0.000 0.987 132 T HN 0.806 nan 8.240 nan 0.000 0.535 133 Q N 1.711 121.694 119.800 0.306 0.000 2.297 133 Q HA 0.354 4.695 4.340 0.001 0.000 0.267 133 Q C -0.770 175.194 176.000 -0.060 0.000 1.006 133 Q CA -0.824 55.006 55.803 0.045 0.000 0.896 133 Q CB 0.499 29.222 28.738 -0.025 0.000 1.186 133 Q HN 0.726 nan 8.270 nan 0.000 0.392 134 L N 5.018 126.155 121.223 -0.144 0.000 2.282 134 L HA 0.267 4.607 4.340 0.001 0.000 0.288 134 L C 0.002 176.750 176.870 -0.203 0.000 1.033 134 L CA 0.087 54.868 54.840 -0.098 0.000 0.807 134 L CB 0.989 42.985 42.059 -0.104 0.000 1.209 134 L HN 0.777 nan 8.230 nan 0.000 0.423 135 H N 4.645 123.658 119.070 -0.095 0.000 2.388 135 H HA 0.244 4.800 4.556 0.001 0.000 0.304 135 H C -0.565 174.375 175.328 -0.647 0.000 1.049 135 H CA 0.949 56.700 56.048 -0.495 0.000 1.371 135 H CB 0.291 29.537 29.762 -0.860 0.000 1.436 135 H HN 0.462 nan 8.280 nan 0.000 0.544 136 F N -0.297 119.844 119.950 0.319 0.000 2.569 136 F HA 0.624 5.152 4.527 0.001 0.000 0.312 136 F C -0.309 175.699 175.800 0.346 0.000 1.109 136 F CA -1.200 56.985 58.000 0.308 0.000 0.919 136 F CB 1.720 40.867 39.000 0.244 0.000 1.211 136 F HN -0.055 nan 8.300 nan 0.000 0.446 137 A N 3.080 126.236 122.820 0.560 0.000 2.342 137 A HA 0.959 5.280 4.320 0.001 0.000 0.323 137 A C -1.334 176.586 177.584 0.560 0.000 1.125 137 A CA -0.561 51.712 52.037 0.395 0.000 0.785 137 A CB 0.964 20.017 19.000 0.088 0.000 1.221 137 A HN 0.866 nan 8.150 nan 0.000 0.463 138 F N -0.321 119.872 119.950 0.405 0.000 2.779 138 F HA 0.763 5.291 4.527 0.001 0.000 0.316 138 F C -0.848 175.205 175.800 0.420 0.000 1.164 138 F CA -0.882 57.328 58.000 0.349 0.000 0.924 138 F CB 1.137 40.245 39.000 0.180 0.000 1.348 138 F HN 0.780 nan 8.300 nan 0.000 0.467 139 Q N 0.527 120.621 119.800 0.491 0.000 2.553 139 Q HA 0.748 5.088 4.340 0.001 0.000 0.293 139 Q C -2.286 173.917 176.000 0.338 0.000 1.038 139 Q CA -0.839 55.156 55.803 0.319 0.000 0.777 139 Q CB 3.282 32.072 28.738 0.086 0.000 1.487 139 Q HN 0.827 nan 8.270 nan 0.000 0.426 140 D N -1.353 119.205 120.400 0.263 0.000 2.798 140 D HA 0.299 4.940 4.640 0.001 0.000 0.308 140 D C 0.877 177.221 176.300 0.073 0.000 1.187 140 D CA 0.122 54.234 54.000 0.187 0.000 1.033 140 D CB -0.136 40.839 40.800 0.291 0.000 1.445 140 D HN 0.635 nan 8.370 nan 0.000 0.550 141 E N -0.017 120.221 120.200 0.063 0.000 2.108 141 E HA -0.301 4.050 4.350 0.001 0.000 0.203 141 E C 1.356 177.986 176.600 0.050 0.000 1.022 141 E CA 2.522 58.971 56.400 0.082 0.000 0.823 141 E CB -1.037 28.700 29.700 0.060 0.000 0.744 141 E HN 0.508 nan 8.360 nan 0.000 0.456 142 N N -2.037 116.589 118.700 -0.123 0.000 2.407 142 N HA 0.193 4.933 4.740 0.001 0.000 0.182 142 N C -0.505 174.606 175.510 -0.665 0.000 1.079 142 N CA 0.223 52.985 53.050 -0.481 0.000 0.882 142 N CB 0.628 38.614 38.487 -0.833 0.000 1.106 142 N HN 0.549 nan 8.380 nan 0.000 0.461 143 Y N -0.136 120.064 120.300 -0.167 0.000 2.536 143 Y HA 0.557 5.107 4.550 0.001 0.000 0.347 143 Y C -0.371 175.215 175.900 -0.523 0.000 1.000 143 Y CA -1.040 56.822 58.100 -0.397 0.000 1.051 143 Y CB 2.026 40.169 38.460 -0.528 0.000 1.259 143 Y HN -0.329 nan 8.280 nan 0.000 0.468 144 L N 2.812 123.724 121.223 -0.518 0.000 2.307 144 L HA 0.506 4.846 4.340 0.001 0.000 0.284 144 L C -1.468 175.050 176.870 -0.587 0.000 1.023 144 L CA -0.855 53.660 54.840 -0.542 0.000 0.810 144 L CB 1.006 42.643 42.059 -0.704 0.000 1.231 144 L HN 0.552 nan 8.230 nan 0.000 0.423 145 Y N 3.289 123.394 120.300 -0.326 0.000 2.409 145 Y HA 0.631 5.182 4.550 0.001 0.000 0.343 145 Y C -0.393 175.391 175.900 -0.194 0.000 0.973 145 Y CA -0.747 57.089 58.100 -0.440 0.000 1.064 145 Y CB 1.779 39.543 38.460 -1.160 0.000 1.207 145 Y HN 0.313 nan 8.280 nan 0.000 0.452 146 L N 3.845 125.110 121.223 0.069 0.000 2.349 146 L HA 0.618 4.958 4.340 0.001 0.000 0.278 146 L C -1.046 175.891 176.870 0.113 0.000 0.996 146 L CA -0.998 53.916 54.840 0.122 0.000 0.825 146 L CB 1.727 43.864 42.059 0.130 0.000 1.243 146 L HN 0.349 nan 8.230 nan 0.000 0.412 147 V N 4.463 124.480 119.914 0.172 0.000 2.333 147 V HA 0.426 4.546 4.120 0.001 0.000 0.274 147 V C 0.356 176.586 176.094 0.228 0.000 1.028 147 V CA -0.336 62.057 62.300 0.155 0.000 0.851 147 V CB 1.131 33.068 31.823 0.189 0.000 1.000 147 V HN 0.630 nan 8.190 nan 0.000 0.456 148 M N 2.341 122.099 119.600 0.263 0.000 2.706 148 M HA 0.543 5.023 4.480 0.001 0.000 0.304 148 M C -0.019 176.540 176.300 0.431 0.000 1.217 148 M CA -1.148 54.339 55.300 0.311 0.000 0.922 148 M CB 1.024 33.775 32.600 0.250 0.000 1.637 148 M HN 0.576 nan 8.290 nan 0.000 0.492 149 E N 0.793 121.177 120.200 0.307 0.000 2.414 149 E HA -0.014 4.337 4.350 0.001 0.000 0.263 149 E C -1.516 174.982 176.600 -0.170 0.000 1.000 149 E CA 0.268 56.688 56.400 0.034 0.000 0.914 149 E CB 0.359 29.843 29.700 -0.361 0.000 0.948 149 E HN 0.370 nan 8.360 nan 0.000 0.444 150 Y N 5.287 125.444 120.300 -0.239 0.000 2.404 150 Y HA 0.200 4.750 4.550 0.001 0.000 0.344 150 Y C -1.383 174.364 175.900 -0.255 0.000 0.995 150 Y CA -0.701 57.305 58.100 -0.157 0.000 1.201 150 Y CB 0.018 38.435 38.460 -0.071 0.000 1.151 150 Y HN 0.464 nan 8.280 nan 0.000 0.517 151 Y N 6.024 126.193 120.300 -0.218 0.000 2.404 151 Y HA 0.244 4.794 4.550 0.001 0.000 0.344 151 Y C 1.240 176.839 175.900 -0.502 0.000 0.970 151 Y CA -0.547 57.400 58.100 -0.255 0.000 1.180 151 Y CB 1.088 39.503 38.460 -0.076 0.000 1.138 151 Y HN 0.573 nan 8.280 nan 0.000 0.510 152 V N 0.104 119.798 119.914 -0.368 0.000 2.871 152 V HA 0.010 4.131 4.120 0.001 0.000 0.256 152 V C 1.709 177.718 176.094 -0.142 0.000 1.082 152 V CA 1.669 63.725 62.300 -0.408 0.000 1.105 152 V CB -0.629 31.047 31.823 -0.245 0.000 0.713 152 V HN 0.903 nan 8.190 nan 0.000 0.473 153 G N -0.195 108.576 108.800 -0.047 0.000 2.848 153 G HA2 0.411 4.371 3.960 0.001 0.000 0.208 153 G HA3 0.411 4.371 3.960 0.001 0.000 0.208 153 G C 1.021 175.939 174.900 0.030 0.000 1.152 153 G CA 0.677 45.783 45.100 0.010 0.000 0.789 153 G HN 1.349 nan 8.290 nan 0.000 0.531 154 G N 0.490 109.298 108.800 0.013 0.000 2.528 154 G HA2 -0.146 3.814 3.960 0.001 0.000 0.262 154 G HA3 -0.146 3.814 3.960 0.001 0.000 0.262 154 G C -0.381 174.529 174.900 0.017 0.000 1.200 154 G CA 0.223 45.342 45.100 0.031 0.000 0.951 154 G HN 1.052 nan 8.290 nan 0.000 0.566 155 D N -0.826 119.580 120.400 0.011 0.000 2.661 155 D HA 0.433 5.073 4.640 0.001 0.000 0.228 155 D C 1.414 177.696 176.300 -0.031 0.000 1.183 155 D CA -0.612 53.373 54.000 -0.025 0.000 0.844 155 D CB 1.234 42.021 40.800 -0.021 0.000 1.555 155 D HN 0.455 nan 8.370 nan 0.000 0.453 156 L N 0.420 121.596 121.223 -0.079 0.000 2.187 156 L HA -0.203 4.137 4.340 0.001 0.000 0.213 156 L C 2.321 179.203 176.870 0.020 0.000 1.100 156 L CA 0.784 55.580 54.840 -0.074 0.000 0.765 156 L CB -0.297 41.712 42.059 -0.085 0.000 0.904 156 L HN 0.430 nan 8.230 nan 0.000 0.437 157 L N -0.281 120.966 121.223 0.040 0.000 1.970 157 L HA -0.255 4.085 4.340 0.001 0.000 0.212 157 L C 2.527 179.429 176.870 0.053 0.000 1.071 157 L CA 2.402 57.284 54.840 0.069 0.000 0.751 157 L CB -0.830 41.267 42.059 0.063 0.000 0.889 157 L HN 0.200 nan 8.230 nan 0.000 0.432 158 T N -0.195 114.385 114.554 0.044 0.000 2.685 158 T HA -0.284 4.067 4.350 0.001 0.000 0.268 158 T C 2.123 176.857 174.700 0.057 0.000 1.034 158 T CA 2.552 64.681 62.100 0.048 0.000 1.149 158 T CB -1.166 67.732 68.868 0.050 0.000 0.860 158 T HN 0.415 nan 8.240 nan 0.000 0.449 159 L N 1.320 122.576 121.223 0.056 0.000 2.012 159 L HA 0.111 4.451 4.340 0.001 0.000 0.210 159 L C 2.753 179.685 176.870 0.104 0.000 1.073 159 L CA 1.913 56.796 54.840 0.072 0.000 0.748 159 L CB -1.979 40.088 42.059 0.013 0.000 0.891 159 L HN 0.423 nan 8.230 nan 0.000 0.431 160 L N 0.297 121.552 121.223 0.054 0.000 2.046 160 L HA -0.179 4.162 4.340 0.001 0.000 0.208 160 L C 3.369 180.285 176.870 0.075 0.000 1.077 160 L CA 1.394 56.262 54.840 0.046 0.000 0.747 160 L CB -1.083 40.979 42.059 0.005 0.000 0.896 160 L HN 0.630 nan 8.230 nan 0.000 0.432 161 S N 0.972 116.707 115.700 0.058 0.000 2.359 161 S HA -0.275 4.196 4.470 0.001 0.000 0.223 161 S C 2.117 176.736 174.600 0.033 0.000 1.039 161 S CA 2.026 60.252 58.200 0.042 0.000 1.042 161 S CB -0.452 62.770 63.200 0.036 0.000 0.915 161 S HN 0.331 nan 8.310 nan 0.000 0.439 162 K N -0.803 119.612 120.400 0.025 0.000 2.360 162 K HA 0.019 4.339 4.320 0.001 0.000 0.201 162 K C 1.303 177.794 176.600 -0.181 0.000 1.046 162 K CA 1.089 57.336 56.287 -0.068 0.000 0.940 162 K CB -0.219 32.228 32.500 -0.088 0.000 0.748 162 K HN 0.547 nan 8.250 nan 0.000 0.465 163 F N -0.226 119.673 119.950 -0.085 0.000 2.383 163 F HA 0.149 4.676 4.527 0.001 0.000 0.287 163 F C 1.476 177.238 175.800 -0.065 0.000 1.069 163 F CA 0.689 58.634 58.000 -0.092 0.000 1.402 163 F CB 0.226 39.151 39.000 -0.125 0.000 1.116 163 F HN 0.103 nan 8.300 nan 0.000 0.549 164 G N 0.622 109.490 108.800 0.114 0.000 2.323 164 G HA2 -0.082 3.879 3.960 0.001 0.000 0.292 164 G HA3 -0.082 3.879 3.960 0.001 0.000 0.292 164 G C -0.034 174.890 174.900 0.040 0.000 1.040 164 G CA 0.956 46.084 45.100 0.046 0.000 0.942 164 G HN 0.681 nan 8.290 nan 0.000 0.506 165 E N -2.176 118.053 120.200 0.048 0.000 4.161 165 E HA 0.907 5.257 4.350 0.001 0.000 0.171 165 E C 0.599 177.194 176.600 -0.007 0.000 1.256 165 E CA 1.191 57.603 56.400 0.020 0.000 0.777 165 E CB -0.147 29.572 29.700 0.031 0.000 2.798 165 E HN 1.938 nan 8.360 nan 0.000 0.642 166 R N 0.451 120.942 120.500 -0.015 0.000 2.740 166 R HA 0.818 5.158 4.340 0.001 0.000 0.282 166 R C 0.543 176.793 176.300 -0.083 0.000 0.969 166 R CA -0.218 55.846 56.100 -0.060 0.000 0.918 166 R CB -0.085 30.188 30.300 -0.044 0.000 1.175 166 R HN 1.321 nan 8.270 nan 0.000 0.464 167 I N -0.164 120.290 120.570 -0.194 0.000 2.779 167 I HA 0.500 4.670 4.170 0.001 0.000 0.285 167 I C -2.086 173.887 176.117 -0.240 0.000 1.134 167 I CA -1.895 59.182 61.300 -0.373 0.000 1.398 167 I CB 0.894 38.580 38.000 -0.523 0.000 1.404 167 I HN 0.402 nan 8.210 nan 0.000 0.587 168 P HA 0.054 nan 4.420 nan 0.000 0.266 168 P C 0.404 177.653 177.300 -0.085 0.000 1.195 168 P CA 0.014 63.034 63.100 -0.134 0.000 0.768 168 P CB 0.938 32.560 31.700 -0.130 0.000 0.838 169 A N 2.852 125.659 122.820 -0.020 0.000 1.917 169 A HA -0.272 4.048 4.320 0.001 0.000 0.219 169 A C 2.122 179.685 177.584 -0.034 0.000 1.182 169 A CA 1.913 53.964 52.037 0.023 0.000 0.633 169 A CB -1.105 17.893 19.000 -0.003 0.000 0.819 169 A HN 0.691 nan 8.150 nan 0.000 0.448 170 E N -0.751 119.408 120.200 -0.068 0.000 2.077 170 E HA -0.185 4.166 4.350 0.001 0.000 0.193 170 E C 2.113 178.661 176.600 -0.086 0.000 0.989 170 E CA 1.412 57.759 56.400 -0.089 0.000 0.800 170 E CB -0.187 29.458 29.700 -0.091 0.000 0.746 170 E HN 0.711 nan 8.360 nan 0.000 0.452 171 M N 0.039 119.574 119.600 -0.108 0.000 2.117 171 M HA -0.148 4.333 4.480 0.001 0.000 0.262 171 M C 2.475 178.792 176.300 0.028 0.000 1.065 171 M CA 1.424 56.658 55.300 -0.109 0.000 1.114 171 M CB -0.234 32.295 32.600 -0.119 0.000 1.361 171 M HN 0.144 nan 8.290 nan 0.000 0.408 172 A N 0.350 123.190 122.820 0.034 0.000 1.877 172 A HA -0.168 4.152 4.320 0.001 0.000 0.216 172 A C 2.221 179.935 177.584 0.216 0.000 1.186 172 A CA 1.636 53.736 52.037 0.105 0.000 0.620 172 A CB -0.724 18.327 19.000 0.084 0.000 0.822 172 A HN 0.400 nan 8.150 nan 0.000 0.443 173 R N -1.925 118.616 120.500 0.068 0.000 2.083 173 R HA -0.173 4.167 4.340 0.001 0.000 0.237 173 R C 2.004 178.350 176.300 0.077 0.000 1.137 173 R CA 1.900 57.935 56.100 -0.108 0.000 0.951 173 R CB -0.446 29.645 30.300 -0.348 0.000 0.851 173 R HN 0.575 nan 8.270 nan 0.000 0.434 174 F N -0.021 119.838 119.950 -0.152 0.000 2.075 174 F HA -0.226 4.301 4.527 0.001 0.000 0.297 174 F C 1.640 177.346 175.800 -0.157 0.000 1.113 174 F CA 1.603 59.453 58.000 -0.250 0.000 1.218 174 F CB -0.465 38.271 39.000 -0.440 0.000 0.984 174 F HN 0.034 nan 8.300 nan 0.000 0.472 175 Y N -0.183 120.193 120.300 0.126 0.000 2.263 175 Y HA -0.152 4.398 4.550 0.001 0.000 0.292 175 Y C 2.337 178.279 175.900 0.071 0.000 1.130 175 Y CA 0.924 59.064 58.100 0.066 0.000 1.179 175 Y CB -0.344 38.232 38.460 0.193 0.000 0.998 175 Y HN 0.032 nan 8.280 nan 0.000 0.532 176 L N -0.702 120.720 121.223 0.332 0.000 2.083 176 L HA -0.227 4.113 4.340 0.001 0.000 0.209 176 L C 2.701 179.704 176.870 0.222 0.000 1.083 176 L CA 1.001 56.078 54.840 0.395 0.000 0.752 176 L CB -0.700 41.691 42.059 0.553 0.000 0.899 176 L HN 0.219 nan 8.230 nan 0.000 0.433 177 A N -0.267 122.562 122.820 0.014 0.000 1.902 177 A HA -0.209 4.111 4.320 0.001 0.000 0.217 177 A C 2.198 179.593 177.584 -0.316 0.000 1.181 177 A CA 1.551 53.310 52.037 -0.462 0.000 0.623 177 A CB -0.386 18.037 19.000 -0.962 0.000 0.818 177 A HN 0.426 nan 8.150 nan 0.000 0.443 178 E N -0.497 119.521 120.200 -0.303 0.000 2.106 178 E HA -0.130 4.221 4.350 0.001 0.000 0.192 178 E C 1.845 178.345 176.600 -0.167 0.000 0.984 178 E CA 1.113 57.394 56.400 -0.198 0.000 0.806 178 E CB -0.248 29.394 29.700 -0.097 0.000 0.750 178 E HN 0.716 nan 8.360 nan 0.000 0.458 179 I N 0.501 121.027 120.570 -0.073 0.000 2.315 179 I HA -0.242 3.929 4.170 0.001 0.000 0.248 179 I C 2.338 178.372 176.117 -0.137 0.000 1.117 179 I CA 0.563 61.808 61.300 -0.091 0.000 1.404 179 I CB -0.202 37.779 38.000 -0.031 0.000 1.071 179 I HN -0.038 nan 8.210 nan 0.000 0.419 180 V N 0.721 120.585 119.914 -0.085 0.000 2.252 180 V HA -0.343 3.777 4.120 0.001 0.000 0.249 180 V C 2.589 178.596 176.094 -0.146 0.000 1.056 180 V CA 1.853 64.115 62.300 -0.063 0.000 1.022 180 V CB -0.524 31.131 31.823 -0.280 0.000 0.641 180 V HN 0.378 nan 8.190 nan 0.000 0.445 181 M N -0.386 118.999 119.600 -0.359 0.000 2.086 181 M HA -0.132 4.348 4.480 0.001 0.000 0.261 181 M C 2.458 178.229 176.300 -0.883 0.000 1.067 181 M CA 2.296 57.163 55.300 -0.722 0.000 1.116 181 M CB -1.605 30.186 32.600 -1.350 0.000 1.348 181 M HN 0.418 nan 8.290 nan 0.000 0.407 182 A N 0.567 122.947 122.820 -0.733 0.000 1.883 182 A HA -0.164 4.156 4.320 0.001 0.000 0.217 182 A C 2.295 179.718 177.584 -0.268 0.000 1.186 182 A CA 1.649 53.475 52.037 -0.352 0.000 0.624 182 A CB -0.954 17.991 19.000 -0.091 0.000 0.822 182 A HN 0.449 nan 8.150 nan 0.000 0.444 183 I N -0.382 119.974 120.570 -0.356 0.000 2.226 183 I HA -0.252 3.919 4.170 0.001 0.000 0.245 183 I C 2.261 177.999 176.117 -0.631 0.000 1.100 183 I CA 1.976 62.942 61.300 -0.556 0.000 1.374 183 I CB -0.322 37.140 38.000 -0.896 0.000 1.057 183 I HN 0.519 nan 8.210 nan 0.000 0.413 184 D N 0.116 120.317 120.400 -0.331 0.000 2.219 184 D HA -0.179 4.462 4.640 0.001 0.000 0.205 184 D C 2.206 178.476 176.300 -0.050 0.000 0.970 184 D CA 1.399 55.354 54.000 -0.074 0.000 0.851 184 D CB 0.146 41.018 40.800 0.120 0.000 0.943 184 D HN 0.361 nan 8.370 nan 0.000 0.488 185 S N -0.693 114.938 115.700 -0.116 0.000 2.357 185 S HA -0.117 4.353 4.470 0.001 0.000 0.221 185 S C 2.186 176.820 174.600 0.056 0.000 1.031 185 S CA 0.970 59.168 58.200 -0.003 0.000 0.982 185 S CB -0.771 62.453 63.200 0.040 0.000 0.853 185 S HN 0.141 nan 8.310 nan 0.000 0.458 186 V N 2.638 122.573 119.914 0.035 0.000 2.380 186 V HA -0.254 3.866 4.120 0.001 0.000 0.251 186 V C 2.565 178.812 176.094 0.256 0.000 1.063 186 V CA 2.339 64.716 62.300 0.127 0.000 1.055 186 V CB -1.252 30.681 31.823 0.184 0.000 0.657 186 V HN 0.656 nan 8.190 nan 0.000 0.455 187 H N -0.369 118.759 119.070 0.097 0.000 2.321 187 H HA -0.093 4.464 4.556 0.001 0.000 0.300 187 H C 2.643 178.031 175.328 0.099 0.000 1.087 187 H CA 1.350 57.460 56.048 0.103 0.000 1.319 187 H CB 0.029 29.864 29.762 0.123 0.000 1.379 187 H HN 0.305 nan 8.280 nan 0.000 0.501 188 R N 0.314 120.950 120.500 0.226 0.000 2.115 188 R HA -0.108 4.233 4.340 0.001 0.000 0.230 188 R C 2.126 178.499 176.300 0.123 0.000 1.111 188 R CA 0.604 56.791 56.100 0.146 0.000 0.976 188 R CB -0.174 30.197 30.300 0.117 0.000 0.870 188 R HN 0.172 nan 8.270 nan 0.000 0.445 189 L N -0.309 121.005 121.223 0.153 0.000 2.275 189 L HA -0.013 4.328 4.340 0.001 0.000 0.215 189 L C 1.142 178.120 176.870 0.179 0.000 1.119 189 L CA 2.037 56.981 54.840 0.174 0.000 0.790 189 L CB 0.050 42.228 42.059 0.198 0.000 0.919 189 L HN 0.450 nan 8.230 nan 0.000 0.443 190 G N -3.498 105.376 108.800 0.124 0.000 2.175 190 G HA2 -0.234 3.726 3.960 0.001 0.000 0.182 190 G HA3 -0.234 3.726 3.960 0.001 0.000 0.182 190 G C -0.164 174.567 174.900 -0.283 0.000 1.003 190 G CA -0.114 44.919 45.100 -0.111 0.000 0.666 190 G HN 0.246 nan 8.290 nan 0.000 0.506 191 Y N -0.722 119.609 120.300 0.053 0.000 2.562 191 Y HA 0.691 5.242 4.550 0.001 0.000 0.343 191 Y C 0.418 176.386 175.900 0.113 0.000 1.025 191 Y CA -1.187 56.947 58.100 0.056 0.000 1.082 191 Y CB 2.200 40.691 38.460 0.053 0.000 1.264 191 Y HN 0.052 nan 8.280 nan 0.000 0.478 192 V N 2.512 122.567 119.914 0.235 0.000 2.472 192 V HA 0.103 4.224 4.120 0.001 0.000 0.290 192 V C 0.777 177.028 176.094 0.263 0.000 1.037 192 V CA -0.455 61.972 62.300 0.212 0.000 0.908 192 V CB 1.279 33.162 31.823 0.099 0.000 0.985 192 V HN 0.928 nan 8.190 nan 0.000 0.454 193 H N 4.856 124.033 119.070 0.179 0.000 2.317 193 H HA 0.061 4.617 4.556 0.001 0.000 0.304 193 H C 1.345 176.720 175.328 0.077 0.000 1.067 193 H CA 1.753 57.875 56.048 0.122 0.000 1.352 193 H CB 0.367 30.147 29.762 0.030 0.000 1.398 193 H HN 0.695 nan 8.280 nan 0.000 0.510 194 R N -0.354 120.309 120.500 0.272 0.000 3.954 194 R HA -0.191 4.150 4.340 0.001 0.000 0.422 194 R C -0.508 175.906 176.300 0.190 0.000 1.091 194 R CA 1.182 57.399 56.100 0.196 0.000 1.168 194 R CB -1.691 28.699 30.300 0.149 0.000 1.752 194 R HN 0.366 nan 8.270 nan 0.000 0.547 195 D N 0.023 120.646 120.400 0.371 0.000 2.914 195 D HA 0.178 4.818 4.640 0.001 0.000 0.349 195 D C -0.342 175.967 176.300 0.015 0.000 1.540 195 D CA -0.317 53.790 54.000 0.179 0.000 0.778 195 D CB 0.399 41.258 40.800 0.098 0.000 1.213 195 D HN 0.016 nan 8.370 nan 0.000 0.451 196 I N 2.564 123.052 120.570 -0.137 0.000 2.668 196 I HA 0.137 4.307 4.170 0.001 0.000 0.285 196 I C 0.728 176.590 176.117 -0.425 0.000 1.168 196 I CA 0.681 61.751 61.300 -0.384 0.000 1.424 196 I CB -0.530 37.291 38.000 -0.297 0.000 1.377 196 I HN 0.262 nan 8.210 nan 0.000 0.560 197 K N 6.358 126.433 120.400 -0.542 0.000 2.711 197 K HA 0.408 4.728 4.320 0.001 0.000 0.294 197 K C -2.980 173.319 176.600 -0.502 0.000 1.037 197 K CA -1.112 54.738 56.287 -0.728 0.000 0.858 197 K CB 1.070 33.014 32.500 -0.926 0.000 1.521 197 K HN -0.054 nan 8.250 nan 0.000 0.386 198 P HA -0.094 nan 4.420 nan 0.000 0.220 198 P C -0.099 177.108 177.300 -0.154 0.000 1.148 198 P CA 1.302 64.283 63.100 -0.198 0.000 0.803 198 P CB -0.051 31.741 31.700 0.153 0.000 0.782 199 D N -1.167 119.157 120.400 -0.127 0.000 2.264 199 D HA -0.094 4.546 4.640 0.001 0.000 0.208 199 D C 0.958 177.188 176.300 -0.115 0.000 0.966 199 D CA 0.876 54.825 54.000 -0.085 0.000 0.864 199 D CB -0.776 39.990 40.800 -0.056 0.000 0.933 199 D HN 0.154 nan 8.370 nan 0.000 0.499 200 N N 0.129 118.717 118.700 -0.187 0.000 2.251 200 N HA 0.089 4.829 4.740 0.001 0.000 0.217 200 N C -0.567 174.794 175.510 -0.249 0.000 1.124 200 N CA 0.003 52.933 53.050 -0.200 0.000 0.843 200 N CB 0.863 39.221 38.487 -0.215 0.000 1.024 200 N HN 0.127 nan 8.380 nan 0.000 0.501 201 I N 1.876 122.297 120.570 -0.249 0.000 2.355 201 I HA 0.344 4.515 4.170 0.001 0.000 0.288 201 I C 0.190 176.208 176.117 -0.165 0.000 0.999 201 I CA -0.518 60.639 61.300 -0.238 0.000 1.163 201 I CB 0.963 38.772 38.000 -0.318 0.000 1.316 201 I HN -0.216 nan 8.210 nan 0.000 0.454 202 L N 5.957 127.090 121.223 -0.149 0.000 2.358 202 L HA 0.625 4.965 4.340 0.001 0.000 0.268 202 L C -0.346 176.455 176.870 -0.115 0.000 1.032 202 L CA -0.971 53.795 54.840 -0.122 0.000 0.805 202 L CB 1.796 43.766 42.059 -0.149 0.000 1.253 202 L HN 0.331 nan 8.230 nan 0.000 0.452 203 L N 0.849 122.037 121.223 -0.058 0.000 2.346 203 L HA 0.340 4.680 4.340 0.001 0.000 0.276 203 L C -0.527 176.364 176.870 0.034 0.000 1.006 203 L CA -0.896 53.948 54.840 0.007 0.000 0.817 203 L CB 1.874 43.964 42.059 0.052 0.000 1.272 203 L HN 0.619 nan 8.230 nan 0.000 0.421 204 D N 1.491 121.937 120.400 0.076 0.000 2.433 204 D HA 0.071 4.711 4.640 0.001 0.000 0.255 204 D C 1.046 177.420 176.300 0.123 0.000 1.226 204 D CA -0.519 53.593 54.000 0.186 0.000 1.015 204 D CB 0.649 41.594 40.800 0.242 0.000 1.091 204 D HN 0.375 nan 8.370 nan 0.000 0.527 205 R N -0.463 120.101 120.500 0.107 0.000 2.174 205 R HA -0.181 4.160 4.340 0.001 0.000 0.253 205 R C 1.110 177.422 176.300 0.019 0.000 1.165 205 R CA 1.765 57.889 56.100 0.039 0.000 0.984 205 R CB -0.421 29.898 30.300 0.032 0.000 0.873 205 R HN 0.570 nan 8.270 nan 0.000 0.456 206 C N -1.506 117.831 119.300 0.062 0.000 2.926 206 C HA 0.357 4.818 4.460 0.001 0.000 0.272 206 C C 1.340 176.304 174.990 -0.043 0.000 1.249 206 C CA 0.297 59.331 59.018 0.027 0.000 1.691 206 C CB 0.256 28.073 27.740 0.128 0.000 1.983 206 C HN 0.809 nan 8.230 nan 0.000 0.615 207 G N -0.006 108.808 108.800 0.023 0.000 2.179 207 G HA2 -0.148 3.812 3.960 0.001 0.000 0.220 207 G HA3 -0.148 3.812 3.960 0.001 0.000 0.220 207 G C -0.062 174.963 174.900 0.208 0.000 0.990 207 G CA -0.263 44.884 45.100 0.078 0.000 0.646 207 G HN 0.585 nan 8.290 nan 0.000 0.517 208 H N 0.353 119.591 119.070 0.280 0.000 2.551 208 H HA 0.514 5.071 4.556 0.001 0.000 0.358 208 H C 1.129 176.592 175.328 0.226 0.000 1.151 208 H CA 0.703 56.947 56.048 0.326 0.000 1.374 208 H CB 1.295 31.164 29.762 0.179 0.000 1.473 208 H HN 0.565 nan 8.280 nan 0.000 0.574 209 I N 0.125 120.910 120.570 0.358 0.000 2.677 209 I HA 0.428 4.599 4.170 0.001 0.000 0.305 209 I C -0.136 176.015 176.117 0.056 0.000 0.988 209 I CA -0.584 60.812 61.300 0.160 0.000 1.260 209 I CB 0.876 38.963 38.000 0.144 0.000 1.410 209 I HN 0.202 nan 8.210 nan 0.000 0.523 210 R N 3.735 124.182 120.500 -0.089 0.000 2.574 210 R HA 0.485 4.825 4.340 0.001 0.000 0.288 210 R C -1.450 174.796 176.300 -0.090 0.000 1.004 210 R CA -1.014 55.016 56.100 -0.117 0.000 0.895 210 R CB 1.729 31.781 30.300 -0.413 0.000 1.191 210 R HN 0.769 nan 8.270 nan 0.000 0.444 211 L N 2.296 123.522 121.223 0.005 0.000 2.367 211 L HA 0.535 4.875 4.340 0.001 0.000 0.275 211 L C -0.268 176.562 176.870 -0.067 0.000 1.129 211 L CA 0.321 55.117 54.840 -0.073 0.000 0.839 211 L CB 0.805 42.852 42.059 -0.021 0.000 1.133 211 L HN 0.819 nan 8.230 nan 0.000 0.453 212 A N 3.369 126.040 122.820 -0.248 0.000 2.414 212 A HA 0.607 4.928 4.320 0.001 0.000 0.278 212 A C -0.283 176.999 177.584 -0.503 0.000 1.228 212 A CA -0.201 51.692 52.037 -0.241 0.000 0.857 212 A CB 0.523 19.474 19.000 -0.081 0.000 1.389 212 A HN 0.780 nan 8.150 nan 0.000 0.452 213 D N -1.505 118.710 120.400 -0.308 0.000 3.357 213 D HA -0.146 4.494 4.640 0.001 0.000 0.238 213 D C -0.621 175.380 176.300 -0.497 0.000 1.126 213 D CA 0.657 54.511 54.000 -0.244 0.000 0.984 213 D CB -1.192 39.529 40.800 -0.132 0.000 0.925 213 D HN 0.424 nan 8.370 nan 0.000 0.414 214 F N -0.322 119.569 119.950 -0.099 0.000 2.664 214 F HA 0.297 4.824 4.527 0.001 0.000 0.301 214 F C 2.387 178.085 175.800 -0.171 0.000 1.126 214 F CA 0.173 58.029 58.000 -0.239 0.000 1.373 214 F CB 0.473 39.363 39.000 -0.183 0.000 1.042 214 F HN 0.337 nan 8.300 nan 0.000 0.535 215 G N -0.530 108.266 108.800 -0.007 0.000 2.586 215 G HA2 -0.144 3.816 3.960 0.001 0.000 0.215 215 G HA3 -0.144 3.816 3.960 0.001 0.000 0.215 215 G C 1.157 176.071 174.900 0.024 0.000 1.128 215 G CA 0.819 45.946 45.100 0.045 0.000 0.774 215 G HN 0.358 nan 8.290 nan 0.000 0.543 216 S N -0.898 114.768 115.700 -0.058 0.000 2.730 216 S HA 0.189 4.660 4.470 0.001 0.000 0.244 216 S C 0.661 175.250 174.600 -0.017 0.000 1.022 216 S CA -0.768 57.420 58.200 -0.020 0.000 1.014 216 S CB 0.180 63.371 63.200 -0.015 0.000 0.963 216 S HN 0.297 nan 8.310 nan 0.000 0.540 217 C N 2.326 121.609 119.300 -0.028 0.000 2.703 217 C HA 0.376 4.836 4.460 0.001 0.000 0.411 217 C C 0.414 175.474 174.990 0.116 0.000 1.290 217 C CA -0.205 58.847 59.018 0.058 0.000 2.054 217 C CB -0.756 27.014 27.740 0.051 0.000 2.732 217 C HN 0.523 nan 8.230 nan 0.000 0.650 218 L N 1.971 123.298 121.223 0.174 0.000 2.431 218 L HA 0.428 4.768 4.340 0.001 0.000 0.266 218 L C -0.143 176.794 176.870 0.111 0.000 0.978 218 L CA -0.535 54.374 54.840 0.115 0.000 0.822 218 L CB 1.540 43.608 42.059 0.016 0.000 1.310 218 L HN 0.649 nan 8.230 nan 0.000 0.409 219 K N 2.797 123.176 120.400 -0.034 0.000 2.339 219 K HA 0.384 4.705 4.320 0.001 0.000 0.286 219 K C -0.338 176.103 176.600 -0.266 0.000 1.050 219 K CA -0.414 55.627 56.287 -0.410 0.000 0.956 219 K CB 0.670 32.910 32.500 -0.432 0.000 0.990 219 K HN 0.447 nan 8.250 nan 0.000 0.475 220 L N 3.761 124.815 121.223 -0.282 0.000 2.473 220 L HA 0.127 4.467 4.340 0.001 0.000 0.265 220 L C 1.032 177.800 176.870 -0.171 0.000 1.243 220 L CA 0.141 54.867 54.840 -0.190 0.000 0.822 220 L CB 0.317 42.281 42.059 -0.158 0.000 1.101 220 L HN 0.667 nan 8.230 nan 0.000 0.507 221 R N -0.050 120.371 120.500 -0.133 0.000 2.810 221 R HA 0.479 4.819 4.340 0.001 0.000 0.245 221 R C 0.918 177.167 176.300 -0.085 0.000 1.168 221 R CA -0.305 55.730 56.100 -0.107 0.000 1.096 221 R CB 0.683 30.924 30.300 -0.098 0.000 1.259 221 R HN 0.702 nan 8.270 nan 0.000 0.518 222 A N 1.098 123.879 122.820 -0.066 0.000 1.940 222 A HA -0.211 4.109 4.320 0.001 0.000 0.219 222 A C 1.314 178.871 177.584 -0.044 0.000 1.176 222 A CA 2.170 54.177 52.037 -0.050 0.000 0.631 222 A CB -0.647 18.330 19.000 -0.039 0.000 0.814 222 A HN 0.838 nan 8.150 nan 0.000 0.446 223 D N -1.801 118.570 120.400 -0.047 0.000 2.363 223 D HA 0.226 4.867 4.640 0.001 0.000 0.226 223 D C 1.134 177.409 176.300 -0.042 0.000 1.020 223 D CA 0.909 54.886 54.000 -0.039 0.000 0.892 223 D CB -0.786 39.991 40.800 -0.039 0.000 0.900 223 D HN 0.928 nan 8.370 nan 0.000 0.531 224 G N 0.216 108.983 108.800 -0.056 0.000 2.149 224 G HA2 -0.208 3.752 3.960 0.001 0.000 0.235 224 G HA3 -0.208 3.752 3.960 0.001 0.000 0.235 224 G C 0.285 175.139 174.900 -0.077 0.000 1.018 224 G CA 0.546 45.610 45.100 -0.059 0.000 0.728 224 G HN 0.851 nan 8.290 nan 0.000 0.508 225 T N -3.397 111.097 114.554 -0.100 0.000 2.838 225 T HA 0.919 5.270 4.350 0.001 0.000 0.292 225 T C -0.189 174.395 174.700 -0.193 0.000 1.113 225 T CA -0.153 61.864 62.100 -0.139 0.000 1.008 225 T CB 2.818 71.617 68.868 -0.114 0.000 1.259 225 T HN 1.766 nan 8.240 nan 0.000 0.520 226 V N -1.700 118.029 119.914 -0.308 0.000 3.078 226 V HA 0.851 4.971 4.120 0.001 0.000 0.311 226 V C -0.854 175.001 176.094 -0.399 0.000 1.138 226 V CA -1.456 60.647 62.300 -0.329 0.000 1.007 226 V CB 1.973 33.588 31.823 -0.348 0.000 1.045 226 V HN 1.245 nan 8.190 nan 0.000 0.432 227 R N 1.884 122.231 120.500 -0.255 0.000 2.358 227 R HA 0.779 5.119 4.340 0.001 0.000 0.309 227 R C -0.379 175.856 176.300 -0.109 0.000 1.026 227 R CA 0.585 56.582 56.100 -0.172 0.000 0.909 227 R CB 0.826 31.066 30.300 -0.100 0.000 1.153 227 R HN 1.335 nan 8.270 nan 0.000 0.515 228 S N 2.565 118.231 115.700 -0.057 0.000 2.482 228 S HA 0.648 5.119 4.470 0.001 0.000 0.303 228 S C 0.664 175.313 174.600 0.083 0.000 1.091 228 S CA -0.377 57.846 58.200 0.038 0.000 1.057 228 S CB 1.533 64.797 63.200 0.106 0.000 1.031 228 S HN 0.493 nan 8.310 nan 0.000 0.485 229 L N 2.288 123.536 121.223 0.043 0.000 2.200 229 L HA 0.782 5.122 4.340 0.001 0.000 0.200 229 L C 1.442 178.325 176.870 0.023 0.000 1.072 229 L CA 1.404 56.261 54.840 0.028 0.000 0.787 229 L CB -1.701 40.363 42.059 0.009 0.000 0.957 229 L HN 1.238 nan 8.230 nan 0.000 0.459 230 V N 0.094 120.025 119.914 0.028 0.000 2.583 230 V HA 0.733 4.853 4.120 0.001 0.000 0.287 230 V C 0.614 176.731 176.094 0.038 0.000 1.051 230 V CA -0.344 61.973 62.300 0.027 0.000 1.010 230 V CB 0.435 32.279 31.823 0.035 0.000 0.988 230 V HN 1.103 nan 8.190 nan 0.000 0.478 231 A N 5.390 128.219 122.820 0.016 0.000 2.260 231 A HA 0.677 4.997 4.320 0.001 0.000 0.312 231 A C 0.077 177.689 177.584 0.047 0.000 1.321 231 A CA 0.135 52.175 52.037 0.005 0.000 0.928 231 A CB 0.494 19.444 19.000 -0.083 0.000 1.158 231 A HN 2.258 nan 8.150 nan 0.000 0.542 232 V N 1.251 121.204 119.914 0.064 0.000 3.036 232 V HA 0.954 5.074 4.120 0.001 0.000 0.308 232 V C 0.585 176.725 176.094 0.076 0.000 1.070 232 V CA 0.237 62.584 62.300 0.078 0.000 1.056 232 V CB 0.597 32.470 31.823 0.083 0.000 1.084 232 V HN 2.620 nan 8.190 nan 0.000 0.471 233 G N 1.740 110.587 108.800 0.078 0.000 2.662 233 G HA2 -0.006 3.954 3.960 0.001 0.000 0.686 233 G HA3 -0.006 3.954 3.960 0.001 0.000 0.686 233 G C -0.404 174.565 174.900 0.117 0.000 1.271 233 G CA -0.444 44.707 45.100 0.084 0.000 0.816 233 G HN 1.504 nan 8.290 nan 0.000 0.608 234 T N 2.805 117.443 114.554 0.139 0.000 2.851 234 T HA 0.448 4.798 4.350 0.001 0.000 0.298 234 T C -0.957 173.909 174.700 0.276 0.000 0.977 234 T CA -0.241 61.977 62.100 0.197 0.000 1.126 234 T CB 1.504 70.517 68.868 0.240 0.000 0.916 234 T HN 0.387 nan 8.240 nan 0.000 0.529 235 P HA -0.152 nan 4.420 nan 0.000 0.217 235 P C 1.211 178.652 177.300 0.234 0.000 1.151 235 P CA 1.048 64.291 63.100 0.238 0.000 0.849 235 P CB 0.153 31.861 31.700 0.013 0.000 0.787 236 D N -2.123 118.399 120.400 0.203 0.000 2.219 236 D HA -0.130 4.510 4.640 0.001 0.000 0.205 236 D C 1.356 177.677 176.300 0.036 0.000 0.970 236 D CA 1.185 55.241 54.000 0.093 0.000 0.851 236 D CB -0.316 40.452 40.800 -0.053 0.000 0.943 236 D HN 0.333 nan 8.370 nan 0.000 0.488 237 Y N 0.408 120.862 120.300 0.256 0.000 2.482 237 Y HA 0.216 4.766 4.550 0.001 0.000 0.270 237 Y C 1.158 177.234 175.900 0.294 0.000 1.152 237 Y CA -0.262 58.018 58.100 0.300 0.000 1.292 237 Y CB 0.062 38.651 38.460 0.215 0.000 1.070 237 Y HN -0.185 nan 8.280 nan 0.000 0.528 238 L N 1.155 122.547 121.223 0.281 0.000 2.483 238 L HA 0.075 4.416 4.340 0.001 0.000 0.276 238 L C 0.787 177.531 176.870 -0.209 0.000 1.213 238 L CA -0.118 54.749 54.840 0.045 0.000 0.843 238 L CB 0.545 42.608 42.059 0.006 0.000 1.107 238 L HN 0.147 nan 8.230 nan 0.000 0.487 239 S N 1.954 117.330 115.700 -0.539 0.000 2.651 239 S HA 0.444 4.915 4.470 0.001 0.000 0.291 239 S C -2.004 172.034 174.600 -0.937 0.000 1.141 239 S CA -1.444 56.003 58.200 -1.255 0.000 1.027 239 S CB 1.817 64.405 63.200 -1.021 0.000 1.043 239 S HN 0.351 nan 8.310 nan 0.000 0.530 240 P HA -0.106 nan 4.420 nan 0.000 0.216 240 P C 0.867 177.909 177.300 -0.429 0.000 1.150 240 P CA 1.346 64.079 63.100 -0.613 0.000 0.843 240 P CB 0.018 31.412 31.700 -0.511 0.000 0.787 241 E N -0.676 119.266 120.200 -0.430 0.000 2.047 241 E HA -0.112 4.238 4.350 0.001 0.000 0.191 241 E C 2.085 178.475 176.600 -0.350 0.000 0.987 241 E CA 0.872 57.105 56.400 -0.278 0.000 0.799 241 E CB -1.007 28.588 29.700 -0.174 0.000 0.752 241 E HN 0.235 nan 8.360 nan 0.000 0.449 242 I N 0.600 120.836 120.570 -0.557 0.000 2.127 242 I HA -0.296 3.874 4.170 0.001 0.000 0.241 242 I C 2.176 178.031 176.117 -0.437 0.000 1.075 242 I CA 1.142 62.021 61.300 -0.701 0.000 1.334 242 I CB -0.349 37.200 38.000 -0.752 0.000 1.040 242 I HN 0.119 nan 8.210 nan 0.000 0.405 243 L N -0.025 120.943 121.223 -0.424 0.000 2.127 243 L HA -0.264 4.076 4.340 0.001 0.000 0.211 243 L C 2.603 179.313 176.870 -0.266 0.000 1.089 243 L CA 1.410 56.016 54.840 -0.389 0.000 0.757 243 L CB -0.604 41.210 42.059 -0.409 0.000 0.899 243 L HN 0.413 nan 8.230 nan 0.000 0.434 244 Q N -0.453 119.212 119.800 -0.225 0.000 2.172 244 Q HA -0.136 4.205 4.340 0.001 0.000 0.200 244 Q C 2.330 178.269 176.000 -0.102 0.000 0.964 244 Q CA 1.239 56.956 55.803 -0.145 0.000 0.855 244 Q CB 0.076 28.742 28.738 -0.121 0.000 0.918 244 Q HN 0.540 nan 8.270 nan 0.000 0.444 245 A N 0.544 123.306 122.820 -0.097 0.000 1.873 245 A HA -0.110 4.210 4.320 0.001 0.000 0.215 245 A C 2.314 179.876 177.584 -0.036 0.000 1.186 245 A CA 1.639 53.668 52.037 -0.014 0.000 0.616 245 A CB -1.324 17.749 19.000 0.122 0.000 0.823 245 A HN 0.369 nan 8.150 nan 0.000 0.442 246 V N -0.033 119.823 119.914 -0.097 0.000 2.295 246 V HA 0.159 4.279 4.120 0.001 0.000 0.246 246 V C 1.829 177.873 176.094 -0.083 0.000 1.049 246 V CA 2.207 64.449 62.300 -0.096 0.000 1.024 246 V CB -1.598 30.122 31.823 -0.171 0.000 0.648 246 V HN 0.577 nan 8.190 nan 0.000 0.447 254 S N -0.291 115.436 115.700 0.044 0.000 2.600 254 S HA 0.967 5.437 4.470 0.001 0.000 0.300 254 S C -0.770 173.896 174.600 0.110 0.000 1.087 254 S CA -0.609 57.584 58.200 -0.011 0.000 0.965 254 S CB 1.438 64.606 63.200 -0.053 0.000 1.089 254 S HN 1.070 nan 8.310 nan 0.000 0.496 255 Y N -0.947 119.327 120.300 -0.043 0.000 2.788 255 Y HA 0.807 5.357 4.550 0.001 0.000 0.335 255 Y C -0.117 175.762 175.900 -0.035 0.000 1.287 255 Y CA -0.662 57.413 58.100 -0.041 0.000 1.068 255 Y CB 0.352 38.779 38.460 -0.055 0.000 1.340 255 Y HN 0.830 nan 8.280 nan 0.000 0.449 256 G N -0.929 107.963 108.800 0.154 0.000 2.976 256 G HA2 0.505 4.466 3.960 0.001 0.000 0.276 256 G HA3 0.505 4.466 3.960 0.001 0.000 0.276 256 G C -2.676 172.275 174.900 0.085 0.000 1.207 256 G CA -1.348 43.770 45.100 0.030 0.000 0.803 256 G HN 0.360 nan 8.290 nan 0.000 0.572 257 P HA 0.010 nan 4.420 nan 0.000 0.225 257 P C 1.076 178.446 177.300 0.116 0.000 1.148 257 P CA 1.152 64.135 63.100 -0.195 0.000 0.779 257 P CB 0.118 31.457 31.700 -0.602 0.000 0.780 258 E N -0.349 120.000 120.200 0.249 0.000 2.219 258 E HA -0.224 4.126 4.350 0.001 0.000 0.198 258 E C 2.082 178.885 176.600 0.338 0.000 0.998 258 E CA 1.480 58.109 56.400 0.382 0.000 0.818 258 E CB -1.953 27.904 29.700 0.262 0.000 0.741 258 E HN 0.473 nan 8.360 nan 0.000 0.477 259 C N 0.700 120.130 119.300 0.217 0.000 2.440 259 C HA -0.046 4.414 4.460 0.001 0.000 0.278 259 C C 1.951 177.075 174.990 0.224 0.000 1.295 259 C CA 0.466 59.585 59.018 0.169 0.000 1.738 259 C CB -0.573 27.199 27.740 0.052 0.000 1.987 259 C HN 0.176 nan 8.230 nan 0.000 0.492 260 D N 0.376 120.859 120.400 0.137 0.000 2.117 260 D HA -0.117 4.523 4.640 0.001 0.000 0.197 260 D C 1.883 178.205 176.300 0.037 0.000 0.987 260 D CA 1.516 55.523 54.000 0.013 0.000 0.829 260 D CB -0.535 40.181 40.800 -0.141 0.000 0.961 260 D HN 0.797 nan 8.370 nan 0.000 0.460 261 W N 0.605 122.086 121.300 0.301 0.000 2.381 261 W HA -0.090 4.571 4.660 0.001 0.000 0.301 261 W C 2.441 179.107 176.519 0.247 0.000 1.205 261 W CA -0.156 57.353 57.345 0.274 0.000 1.285 261 W CB -0.462 29.176 29.460 0.297 0.000 1.133 261 W HN 0.056 nan 8.180 nan 0.000 0.521 262 W N 1.555 123.033 121.300 0.296 0.000 2.317 262 W HA -0.315 4.346 4.660 0.001 0.000 0.318 262 W C 2.142 178.778 176.519 0.195 0.000 1.227 262 W CA 2.799 60.249 57.345 0.175 0.000 1.269 262 W CB -1.027 28.483 29.460 0.082 0.000 1.155 262 W HN -0.072 nan 8.180 nan 0.000 0.484 263 A N 0.956 124.067 122.820 0.484 0.000 1.917 263 A HA -0.273 4.047 4.320 0.001 0.000 0.219 263 A C 2.002 179.784 177.584 0.330 0.000 1.182 263 A CA 2.146 54.438 52.037 0.423 0.000 0.633 263 A CB -1.273 17.916 19.000 0.315 0.000 0.819 263 A HN 0.383 nan 8.150 nan 0.000 0.448 264 L N 0.034 121.420 121.223 0.271 0.000 2.083 264 L HA -0.028 4.313 4.340 0.001 0.000 0.209 264 L C 2.388 179.425 176.870 0.278 0.000 1.083 264 L CA 2.263 57.292 54.840 0.316 0.000 0.752 264 L CB -1.114 41.170 42.059 0.374 0.000 0.899 264 L HN 0.306 nan 8.230 nan 0.000 0.433 265 G N -1.072 107.783 108.800 0.092 0.000 2.421 265 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 265 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 265 G C 1.534 176.420 174.900 -0.023 0.000 1.171 265 G CA 1.147 46.198 45.100 -0.082 0.000 0.775 265 G HN 0.327 nan 8.290 nan 0.000 0.543 266 V N 0.590 120.469 119.914 -0.057 0.000 2.255 266 V HA -0.193 3.928 4.120 0.001 0.000 0.247 266 V C 2.370 178.574 176.094 0.184 0.000 1.051 266 V CA 1.997 64.293 62.300 -0.007 0.000 1.018 266 V CB -0.763 31.057 31.823 -0.004 0.000 0.641 266 V HN 0.360 nan 8.190 nan 0.000 0.445 267 F N 1.614 121.691 119.950 0.211 0.000 2.120 267 F HA -0.210 4.317 4.527 0.001 0.000 0.300 267 F C 2.246 178.118 175.800 0.120 0.000 1.095 267 F CA 1.394 59.532 58.000 0.230 0.000 1.249 267 F CB -0.664 38.458 39.000 0.204 0.000 0.995 267 F HN 0.073 nan 8.300 nan 0.000 0.480 268 A N -0.852 121.958 122.820 -0.017 0.000 1.930 268 A HA -0.238 4.083 4.320 0.001 0.000 0.217 268 A C 2.165 179.716 177.584 -0.055 0.000 1.175 268 A CA 1.532 53.494 52.037 -0.125 0.000 0.627 268 A CB -1.667 17.480 19.000 0.245 0.000 0.815 268 A HN 0.604 nan 8.150 nan 0.000 0.443 269 Y N 0.302 120.603 120.300 0.002 0.000 2.181 269 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 269 Y C 2.407 178.351 175.900 0.072 0.000 1.146 269 Y CA 2.236 60.426 58.100 0.150 0.000 1.164 269 Y CB -0.107 38.380 38.460 0.046 0.000 0.982 269 Y HN 0.483 nan 8.280 nan 0.000 0.515 270 E N -0.201 120.064 120.200 0.107 0.000 2.051 270 E HA -0.290 4.061 4.350 0.001 0.000 0.192 270 E C 2.320 178.790 176.600 -0.217 0.000 0.991 270 E CA 1.472 57.871 56.400 -0.001 0.000 0.799 270 E CB -0.252 29.467 29.700 0.031 0.000 0.748 270 E HN 0.520 nan 8.360 nan 0.000 0.449 271 M N -0.585 118.714 119.600 -0.501 0.000 2.106 271 M HA -0.203 4.277 4.480 0.001 0.000 0.259 271 M C 1.510 177.428 176.300 -0.638 0.000 1.068 271 M CA 1.695 56.587 55.300 -0.681 0.000 1.100 271 M CB -0.030 31.927 32.600 -1.073 0.000 1.351 271 M HN 0.137 nan 8.290 nan 0.000 0.404 272 F N -2.790 116.895 119.950 -0.442 0.000 2.530 272 F HA -0.046 4.481 4.527 0.001 0.000 0.292 272 F C 1.117 176.457 175.800 -0.766 0.000 1.109 272 F CA 0.424 58.035 58.000 -0.648 0.000 1.450 272 F CB 0.226 38.677 39.000 -0.914 0.000 1.114 272 F HN 0.086 nan 8.300 nan 0.000 0.560 273 Y N -1.150 119.036 120.300 -0.191 0.000 2.453 273 Y HA 0.348 4.898 4.550 0.001 0.000 0.247 273 Y C 1.771 177.573 175.900 -0.163 0.000 1.124 273 Y CA 0.141 58.087 58.100 -0.257 0.000 1.243 273 Y CB 0.750 38.862 38.460 -0.580 0.000 1.213 273 Y HN 0.001 nan 8.280 nan 0.000 0.523 274 G N 1.121 109.908 108.800 -0.022 0.000 2.153 274 G HA2 -0.251 3.710 3.960 0.001 0.000 0.252 274 G HA3 -0.251 3.710 3.960 0.001 0.000 0.252 274 G C -0.237 174.662 174.900 -0.001 0.000 0.994 274 G CA 0.425 45.513 45.100 -0.020 0.000 0.698 274 G HN 0.433 nan 8.290 nan 0.000 0.521 275 Q N -1.128 118.704 119.800 0.054 0.000 2.482 275 Q HA 0.586 4.927 4.340 0.001 0.000 0.286 275 Q C -0.806 175.296 176.000 0.171 0.000 1.007 275 Q CA -0.919 54.909 55.803 0.043 0.000 0.801 275 Q CB 1.035 29.752 28.738 -0.035 0.000 1.455 275 Q HN 0.072 nan 8.270 nan 0.000 0.398 276 T N 3.267 117.891 114.554 0.116 0.000 2.870 276 T HA 0.102 4.453 4.350 0.001 0.000 0.300 276 T C -1.533 173.131 174.700 -0.061 0.000 0.989 276 T CA -0.912 61.223 62.100 0.060 0.000 1.139 276 T CB 0.466 69.376 68.868 0.069 0.000 0.920 276 T HN 0.397 nan 8.240 nan 0.000 0.537 277 P HA -0.025 nan 4.420 nan 0.000 0.225 277 P C 0.148 176.930 177.300 -0.863 0.000 1.148 277 P CA 1.030 63.407 63.100 -1.205 0.000 0.779 277 P CB 0.050 30.431 31.700 -2.199 0.000 0.780 278 F N -1.662 118.277 119.950 -0.017 0.000 2.739 278 F HA 0.273 4.801 4.527 0.001 0.000 0.345 278 F C 0.529 176.372 175.800 0.072 0.000 1.373 278 F CA -1.316 56.717 58.000 0.055 0.000 1.160 278 F CB -0.391 38.618 39.000 0.014 0.000 1.137 278 F HN -0.234 nan 8.300 nan 0.000 0.524 279 Y N 2.431 122.789 120.300 0.097 0.000 2.526 279 Y HA 0.484 5.035 4.550 0.001 0.000 0.330 279 Y C 0.149 176.091 175.900 0.071 0.000 1.156 279 Y CA -0.571 57.571 58.100 0.070 0.000 1.419 279 Y CB 0.366 38.859 38.460 0.054 0.000 1.250 279 Y HN 0.364 nan 8.280 nan 0.000 0.540 280 A N 3.366 125.916 122.820 -0.449 0.000 2.612 280 A HA 0.512 4.833 4.320 0.001 0.000 0.293 280 A C 0.333 177.664 177.584 -0.421 0.000 1.075 280 A CA -0.095 51.761 52.037 -0.302 0.000 0.680 280 A CB 0.068 18.972 19.000 -0.160 0.000 1.279 280 A HN 0.783 nan 8.150 nan 0.000 0.411 281 D N 0.513 120.774 120.400 -0.233 0.000 2.077 281 D HA 0.134 4.775 4.640 0.001 0.000 0.193 281 D C 1.166 177.362 176.300 -0.173 0.000 0.989 281 D CA 2.012 55.907 54.000 -0.177 0.000 0.831 281 D CB -0.555 40.194 40.800 -0.086 0.000 0.979 281 D HN 1.470 nan 8.370 nan 0.000 0.449 282 S N -1.279 114.333 115.700 -0.147 0.000 2.562 282 S HA 0.387 4.857 4.470 0.001 0.000 0.275 282 S C 1.180 175.658 174.600 -0.203 0.000 1.281 282 S CA 0.202 58.314 58.200 -0.147 0.000 1.045 282 S CB 1.532 64.665 63.200 -0.112 0.000 0.962 282 S HN 0.365 nan 8.310 nan 0.000 0.503 283 T N 2.250 116.660 114.554 -0.240 0.000 2.833 283 T HA -0.095 4.255 4.350 0.001 0.000 0.269 283 T C 2.139 176.531 174.700 -0.514 0.000 1.054 283 T CA 1.368 63.229 62.100 -0.399 0.000 1.135 283 T CB -0.700 67.922 68.868 -0.410 0.000 0.869 283 T HN 0.827 nan 8.240 nan 0.000 0.466 284 A N 1.681 124.325 122.820 -0.294 0.000 1.865 284 A HA -0.089 4.231 4.320 0.001 0.000 0.217 284 A C 2.565 180.080 177.584 -0.115 0.000 1.191 284 A CA 2.362 54.303 52.037 -0.160 0.000 0.623 284 A CB -1.339 17.614 19.000 -0.077 0.000 0.826 284 A HN 0.605 nan 8.150 nan 0.000 0.444 285 E N -0.954 119.171 120.200 -0.124 0.000 2.110 285 E HA -0.150 4.201 4.350 0.001 0.000 0.193 285 E C 1.989 178.522 176.600 -0.112 0.000 0.988 285 E CA 1.987 58.325 56.400 -0.103 0.000 0.804 285 E CB -1.606 28.035 29.700 -0.099 0.000 0.745 285 E HN 0.660 nan 8.360 nan 0.000 0.458 286 T N -0.092 114.371 114.554 -0.152 0.000 2.737 286 T HA -0.083 4.267 4.350 0.001 0.000 0.265 286 T C 1.820 176.503 174.700 -0.029 0.000 1.038 286 T CA 1.230 63.264 62.100 -0.110 0.000 1.144 286 T CB -0.430 68.346 68.868 -0.153 0.000 0.866 286 T HN 0.548 nan 8.240 nan 0.000 0.434 287 Y N 1.697 121.944 120.300 -0.087 0.000 2.207 287 Y HA -0.013 4.537 4.550 0.001 0.000 0.287 287 Y C 2.739 178.584 175.900 -0.092 0.000 1.156 287 Y CA 0.309 58.348 58.100 -0.102 0.000 1.182 287 Y CB -1.379 37.035 38.460 -0.077 0.000 0.979 287 Y HN 0.267 nan 8.280 nan 0.000 0.521 288 G N -0.215 108.634 108.800 0.082 0.000 2.421 288 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 288 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 288 G C 1.766 176.685 174.900 0.032 0.000 1.171 288 G CA 0.800 45.930 45.100 0.049 0.000 0.775 288 G HN 0.324 nan 8.290 nan 0.000 0.543 289 K N -0.181 120.148 120.400 -0.117 0.000 2.147 289 K HA 0.074 4.395 4.320 0.001 0.000 0.205 289 K C 2.379 178.860 176.600 -0.198 0.000 1.049 289 K CA 0.693 56.824 56.287 -0.259 0.000 0.936 289 K CB -0.160 32.052 32.500 -0.480 0.000 0.722 289 K HN 0.346 nan 8.250 nan 0.000 0.446 290 I N 0.290 120.678 120.570 -0.303 0.000 2.286 290 I HA -0.222 3.948 4.170 0.001 0.000 0.245 290 I C 2.081 178.108 176.117 -0.150 0.000 1.104 290 I CA 0.826 61.800 61.300 -0.544 0.000 1.397 290 I CB -0.093 37.613 38.000 -0.489 0.000 1.072 290 I HN -0.094 nan 8.210 nan 0.000 0.417 291 V N 0.121 120.009 119.914 -0.044 0.000 2.515 291 V HA -0.265 3.856 4.120 0.001 0.000 0.250 291 V C 1.320 177.355 176.094 -0.099 0.000 1.058 291 V CA 1.723 63.993 62.300 -0.050 0.000 1.064 291 V CB -0.990 30.786 31.823 -0.078 0.000 0.675 291 V HN 0.464 nan 8.190 nan 0.000 0.461 292 H N -1.287 117.767 119.070 -0.027 0.000 2.568 292 H HA 0.158 4.714 4.556 0.001 0.000 0.302 292 H C 1.469 176.828 175.328 0.051 0.000 1.065 292 H CA -0.265 55.769 56.048 -0.023 0.000 1.140 292 H CB -0.790 28.973 29.762 0.001 0.000 1.474 292 H HN 0.692 nan 8.280 nan 0.000 0.545 293 Y N 0.554 120.939 120.300 0.143 0.000 2.193 293 Y HA -0.231 4.320 4.550 0.001 0.000 0.285 293 Y C 1.760 177.846 175.900 0.311 0.000 1.166 293 Y CA 0.974 59.266 58.100 0.321 0.000 1.181 293 Y CB -0.285 38.389 38.460 0.357 0.000 0.976 293 Y HN -0.039 nan 8.280 nan 0.000 0.520 294 K N 0.553 120.607 120.400 -0.577 0.000 1.987 294 K HA -0.209 4.112 4.320 0.001 0.000 0.216 294 K C 2.173 178.749 176.600 -0.040 0.000 1.051 294 K CA 2.352 58.419 56.287 -0.366 0.000 0.942 294 K CB -0.356 31.872 32.500 -0.454 0.000 0.722 294 K HN 0.381 nan 8.250 nan 0.000 0.444 295 E N -0.393 119.812 120.200 0.007 0.000 2.047 295 E HA -0.192 4.158 4.350 0.001 0.000 0.191 295 E C 1.947 178.629 176.600 0.136 0.000 0.987 295 E CA 1.566 58.011 56.400 0.075 0.000 0.799 295 E CB -0.598 29.161 29.700 0.098 0.000 0.752 295 E HN 0.454 nan 8.360 nan 0.000 0.449 296 H N -0.150 118.997 119.070 0.129 0.000 2.270 296 H HA 0.011 4.568 4.556 0.001 0.000 0.299 296 H C 0.980 176.392 175.328 0.141 0.000 1.077 296 H CA 1.283 57.427 56.048 0.160 0.000 1.294 296 H CB -0.551 29.369 29.762 0.263 0.000 1.371 296 H HN 0.182 nan 8.280 nan 0.000 0.491 297 L N 1.224 122.619 121.223 0.286 0.000 2.628 297 L HA 0.248 4.588 4.340 0.001 0.000 0.274 297 L C 0.023 176.886 176.870 -0.010 0.000 1.209 297 L CA 1.224 56.127 54.840 0.105 0.000 0.930 297 L CB -0.533 41.668 42.059 0.237 0.000 1.183 297 L HN 0.507 nan 8.230 nan 0.000 0.492 298 S N 3.958 119.601 115.700 -0.095 0.000 2.599 298 S HA 0.985 5.455 4.470 0.001 0.000 0.287 298 S C -0.493 174.054 174.600 -0.088 0.000 1.105 298 S CA -0.122 58.033 58.200 -0.076 0.000 0.899 298 S CB 1.182 64.321 63.200 -0.101 0.000 1.100 298 S HN 1.262 nan 8.310 nan 0.000 0.482 307 P HA 0.395 nan 4.420 nan 0.000 0.270 307 P C 0.841 178.066 177.300 -0.125 0.000 1.223 307 P CA 0.530 63.556 63.100 -0.124 0.000 0.785 307 P CB 0.864 32.509 31.700 -0.092 0.000 0.923 308 E N 1.057 121.217 120.200 -0.066 0.000 2.209 308 E HA -0.228 4.123 4.350 0.001 0.000 0.196 308 E C 1.649 178.244 176.600 -0.009 0.000 0.993 308 E CA 1.821 58.198 56.400 -0.037 0.000 0.819 308 E CB -0.787 28.900 29.700 -0.021 0.000 0.745 308 E HN 0.727 nan 8.360 nan 0.000 0.477 309 E N 0.218 120.426 120.200 0.014 0.000 2.077 309 E HA 0.061 4.412 4.350 0.001 0.000 0.193 309 E C 2.359 179.019 176.600 0.100 0.000 0.989 309 E CA 1.283 57.761 56.400 0.130 0.000 0.800 309 E CB -0.335 29.468 29.700 0.172 0.000 0.746 309 E HN 0.552 nan 8.360 nan 0.000 0.452 310 A N 0.884 123.622 122.820 -0.137 0.000 1.933 310 A HA -0.186 4.135 4.320 0.001 0.000 0.218 310 A C 2.127 179.514 177.584 -0.328 0.000 1.175 310 A CA 1.498 53.191 52.037 -0.574 0.000 0.628 310 A CB -0.380 17.888 19.000 -1.220 0.000 0.814 310 A HN 0.066 nan 8.150 nan 0.000 0.444 311 R N -0.599 119.791 120.500 -0.183 0.000 2.073 311 R HA -0.192 4.149 4.340 0.001 0.000 0.234 311 R C 1.959 178.280 176.300 0.035 0.000 1.134 311 R CA 1.940 58.017 56.100 -0.039 0.000 0.952 311 R CB -0.375 29.919 30.300 -0.009 0.000 0.850 311 R HN 0.647 nan 8.270 nan 0.000 0.433 312 D N -0.527 119.925 120.400 0.088 0.000 2.097 312 D HA -0.200 4.440 4.640 0.001 0.000 0.195 312 D C 1.709 178.154 176.300 0.242 0.000 0.989 312 D CA 1.069 55.178 54.000 0.182 0.000 0.827 312 D CB -0.142 40.800 40.800 0.235 0.000 0.966 312 D HN 0.138 nan 8.370 nan 0.000 0.456 313 F N 0.990 120.931 119.950 -0.014 0.000 2.065 313 F HA -0.189 4.338 4.527 0.001 0.000 0.298 313 F C 2.019 177.731 175.800 -0.147 0.000 1.112 313 F CA 1.560 59.356 58.000 -0.340 0.000 1.212 313 F CB -0.477 38.096 39.000 -0.712 0.000 0.975 313 F HN 0.037 nan 8.300 nan 0.000 0.476 314 I N 0.098 120.606 120.570 -0.103 0.000 2.208 314 I HA -0.349 3.821 4.170 0.001 0.000 0.245 314 I C 2.373 178.428 176.117 -0.105 0.000 1.097 314 I CA 1.616 62.851 61.300 -0.109 0.000 1.363 314 I CB -0.663 37.394 38.000 0.094 0.000 1.051 314 I HN 0.282 nan 8.210 nan 0.000 0.413 315 Q N 0.136 119.924 119.800 -0.019 0.000 2.291 315 Q HA -0.132 4.209 4.340 0.001 0.000 0.206 315 Q C 1.893 177.892 176.000 -0.001 0.000 0.976 315 Q CA 0.748 56.559 55.803 0.013 0.000 0.875 315 Q CB -0.024 28.747 28.738 0.055 0.000 0.927 315 Q HN 0.368 nan 8.270 nan 0.000 0.450 316 R N -0.121 120.358 120.500 -0.036 0.000 2.313 316 R HA 0.108 4.449 4.340 0.001 0.000 0.199 316 R C 1.487 177.715 176.300 -0.120 0.000 0.958 316 R CA 0.461 56.533 56.100 -0.047 0.000 1.047 316 R CB 0.139 30.441 30.300 0.004 0.000 0.955 316 R HN 0.310 nan 8.270 nan 0.000 0.481 317 L N -0.897 120.218 121.223 -0.180 0.000 2.588 317 L HA 0.241 4.581 4.340 0.001 0.000 0.194 317 L C 0.580 177.320 176.870 -0.216 0.000 1.070 317 L CA 0.074 54.812 54.840 -0.171 0.000 0.852 317 L CB 0.223 42.114 42.059 -0.279 0.000 1.199 317 L HN -0.063 nan 8.230 nan 0.000 0.486 318 L N 2.124 123.121 121.223 -0.377 0.000 2.423 318 L HA 0.187 4.527 4.340 0.001 0.000 0.249 318 L C -0.595 176.182 176.870 -0.156 0.000 1.276 318 L CA -0.446 53.977 54.840 -0.695 0.000 1.199 318 L CB -0.617 41.062 42.059 -0.634 0.000 1.407 318 L HN 0.421 nan 8.230 nan 0.000 0.410 319 C N -0.259 119.092 119.300 0.085 0.000 3.312 319 C HA 0.630 5.090 4.460 0.001 0.000 0.332 319 C C -2.846 172.333 174.990 0.314 0.000 1.340 319 C CA -1.839 57.346 59.018 0.278 0.000 1.265 319 C CB 1.769 29.607 27.740 0.163 0.000 1.563 319 C HN 0.259 nan 8.230 nan 0.000 0.471 320 P HA 0.288 nan 4.420 nan 0.000 0.269 320 P C -2.128 175.270 177.300 0.163 0.000 1.209 320 P CA -0.589 62.661 63.100 0.250 0.000 0.776 320 P CB 0.140 31.970 31.700 0.217 0.000 0.876 321 P HA -0.292 nan 4.420 nan 0.000 0.217 321 P C 1.744 179.090 177.300 0.077 0.000 1.158 321 P CA 2.822 65.987 63.100 0.108 0.000 0.887 321 P CB -0.554 31.197 31.700 0.086 0.000 0.792 322 E N -0.710 119.530 120.200 0.066 0.000 2.095 322 E HA -0.316 4.034 4.350 0.001 0.000 0.212 322 E C 1.952 178.573 176.600 0.034 0.000 1.044 322 E CA 2.747 59.173 56.400 0.045 0.000 0.857 322 E CB -2.316 27.410 29.700 0.043 0.000 0.764 322 E HN 0.319 nan 8.360 nan 0.000 0.462 323 T N -0.575 114.007 114.554 0.046 0.000 3.081 323 T HA 0.143 4.493 4.350 0.001 0.000 0.255 323 T C 1.106 175.810 174.700 0.008 0.000 1.113 323 T CA 0.195 62.312 62.100 0.029 0.000 1.082 323 T CB -0.014 68.883 68.868 0.049 0.000 0.939 323 T HN 0.359 nan 8.240 nan 0.000 0.506 324 R N 1.731 122.246 120.500 0.025 0.000 2.442 324 R HA 0.252 4.593 4.340 0.001 0.000 0.291 324 R C -0.314 175.923 176.300 -0.104 0.000 1.069 324 R CA -0.264 55.840 56.100 0.007 0.000 1.022 324 R CB 0.132 30.493 30.300 0.101 0.000 0.976 324 R HN 0.291 nan 8.270 nan 0.000 0.443 325 L N 3.536 124.631 121.223 -0.212 0.000 2.483 325 L HA 0.044 4.384 4.340 0.001 0.000 0.276 325 L C 1.433 177.914 176.870 -0.648 0.000 1.213 325 L CA 1.356 55.893 54.840 -0.505 0.000 0.843 325 L CB 0.810 42.416 42.059 -0.754 0.000 1.107 325 L HN 1.113 nan 8.230 nan 0.000 0.487 326 G N 1.894 110.184 108.800 -0.850 0.000 2.201 326 G HA2 -0.220 3.741 3.960 0.001 0.000 0.212 326 G HA3 -0.220 3.741 3.960 0.001 0.000 0.212 326 G C 1.126 175.812 174.900 -0.356 0.000 0.994 326 G CA 0.180 44.644 45.100 -1.061 0.000 0.644 326 G HN 0.648 nan 8.290 nan 0.000 0.508 327 R N 0.425 120.813 120.500 -0.187 0.000 2.091 327 R HA -0.015 4.325 4.340 0.001 0.000 0.238 327 R C 2.447 178.747 176.300 0.001 0.000 1.136 327 R CA 1.525 57.611 56.100 -0.023 0.000 0.959 327 R CB -0.302 29.979 30.300 -0.032 0.000 0.856 327 R HN 0.433 nan 8.270 nan 0.000 0.437 328 G N -0.060 108.703 108.800 -0.061 0.000 3.448 328 G HA2 0.379 4.339 3.960 0.001 0.000 0.261 328 G HA3 0.379 4.339 3.960 0.001 0.000 0.261 328 G C 0.410 175.311 174.900 0.001 0.000 1.173 328 G CA 0.240 45.323 45.100 -0.028 0.000 0.835 328 G HN 0.560 nan 8.290 nan 0.000 0.534 329 G N -0.467 108.370 108.800 0.061 0.000 2.645 329 G HA2 0.122 4.083 3.960 0.001 0.000 0.239 329 G HA3 0.122 4.083 3.960 0.001 0.000 0.239 329 G C 1.311 176.266 174.900 0.093 0.000 1.331 329 G CA 0.249 45.458 45.100 0.180 0.000 0.890 329 G HN 1.169 nan 8.290 nan 0.000 0.572 330 A N -0.764 122.142 122.820 0.143 0.000 1.986 330 A HA 0.149 4.469 4.320 0.001 0.000 0.220 330 A C 2.959 180.500 177.584 -0.071 0.000 1.171 330 A CA 2.967 55.040 52.037 0.060 0.000 0.640 330 A CB -1.106 17.860 19.000 -0.057 0.000 0.811 330 A HN 2.402 nan 8.150 nan 0.000 0.451 331 G N -0.297 108.430 108.800 -0.122 0.000 2.432 331 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 331 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 331 G C 1.031 175.816 174.900 -0.192 0.000 1.135 331 G CA 1.152 46.129 45.100 -0.205 0.000 0.767 331 G HN 0.478 nan 8.290 nan 0.000 0.550 332 D N 0.323 120.610 120.400 -0.190 0.000 2.228 332 D HA -0.085 4.555 4.640 0.001 0.000 0.203 332 D C 1.837 177.955 176.300 -0.304 0.000 0.988 332 D CA 0.646 54.463 54.000 -0.306 0.000 0.864 332 D CB -0.271 40.209 40.800 -0.533 0.000 0.928 332 D HN 0.447 nan 8.370 nan 0.000 0.469 333 F N 0.264 120.142 119.950 -0.120 0.000 2.569 333 F HA 0.161 4.689 4.527 0.001 0.000 0.295 333 F C 2.234 178.133 175.800 0.166 0.000 1.115 333 F CA 0.149 58.227 58.000 0.130 0.000 1.450 333 F CB -0.043 39.052 39.000 0.158 0.000 1.107 333 F HN -0.177 nan 8.300 nan 0.000 0.563 334 R N -0.007 120.440 120.500 -0.088 0.000 2.120 334 R HA -0.114 4.227 4.340 0.001 0.000 0.234 334 R C 1.862 178.306 176.300 0.241 0.000 1.123 334 R CA 1.904 57.947 56.100 -0.095 0.000 0.975 334 R CB -1.166 28.878 30.300 -0.426 0.000 0.866 334 R HN 0.321 nan 8.270 nan 0.000 0.446 335 T N -1.897 112.770 114.554 0.188 0.000 3.081 335 T HA -0.028 4.322 4.350 0.001 0.000 0.255 335 T C 0.822 175.696 174.700 0.289 0.000 1.113 335 T CA 0.060 62.282 62.100 0.203 0.000 1.082 335 T CB -0.157 68.770 68.868 0.098 0.000 0.939 335 T HN 0.160 nan 8.240 nan 0.000 0.506 336 H N 2.898 122.168 119.070 0.334 0.000 2.803 336 H HA 0.151 4.707 4.556 0.001 0.000 0.330 336 H C -1.751 173.789 175.328 0.353 0.000 1.057 336 H CA -2.019 54.237 56.048 0.347 0.000 1.458 336 H CB 1.549 31.598 29.762 0.478 0.000 1.470 336 H HN -0.075 nan 8.280 nan 0.000 0.560 337 P HA -0.234 nan 4.420 nan 0.000 0.218 337 P C 1.452 178.957 177.300 0.341 0.000 1.152 337 P CA 1.161 64.404 63.100 0.239 0.000 0.857 337 P CB -0.210 31.516 31.700 0.044 0.000 0.787 338 F N -0.702 119.446 119.950 0.329 0.000 2.202 338 F HA -0.092 4.436 4.527 0.001 0.000 0.301 338 F C 1.326 176.960 175.800 -0.277 0.000 1.082 338 F CA 1.284 59.198 58.000 -0.143 0.000 1.313 338 F CB -0.671 37.972 39.000 -0.595 0.000 1.024 338 F HN -0.190 nan 8.300 nan 0.000 0.495 339 F N -0.384 119.614 119.950 0.081 0.000 2.819 339 F HA 0.145 4.673 4.527 0.001 0.000 0.294 339 F C 0.214 176.061 175.800 0.079 0.000 1.166 339 F CA -0.769 57.202 58.000 -0.048 0.000 1.374 339 F CB -0.650 38.480 39.000 0.217 0.000 0.956 339 F HN -0.214 nan 8.300 nan 0.000 0.509 340 F N 1.222 121.225 119.950 0.089 0.000 2.529 340 F HA 0.404 4.931 4.527 0.001 0.000 0.365 340 F C 1.272 177.089 175.800 0.029 0.000 1.102 340 F CA 0.410 58.459 58.000 0.081 0.000 1.271 340 F CB 0.639 39.662 39.000 0.039 0.000 1.120 340 F HN 0.288 nan 8.300 nan 0.000 0.579 341 G N 4.798 113.123 108.800 -0.792 0.000 2.160 341 G HA2 -0.279 3.682 3.960 0.001 0.000 0.251 341 G HA3 -0.279 3.682 3.960 0.001 0.000 0.251 341 G C -0.702 174.051 174.900 -0.244 0.000 1.008 341 G CA 0.175 44.942 45.100 -0.556 0.000 0.724 341 G HN 0.846 nan 8.290 nan 0.000 0.514 342 L N 0.803 121.913 121.223 -0.190 0.000 2.282 342 L HA 0.728 5.068 4.340 0.001 0.000 0.288 342 L C -0.248 176.489 176.870 -0.221 0.000 1.033 342 L CA -1.495 53.205 54.840 -0.234 0.000 0.807 342 L CB 1.636 43.481 42.059 -0.358 0.000 1.209 342 L HN 0.127 nan 8.230 nan 0.000 0.423 343 D N 3.733 124.036 120.400 -0.161 0.000 2.422 343 D HA 0.071 4.711 4.640 0.001 0.000 0.227 343 D C 0.425 176.701 176.300 -0.040 0.000 1.190 343 D CA 0.024 53.998 54.000 -0.043 0.000 0.905 343 D CB 0.249 41.041 40.800 -0.015 0.000 1.034 343 D HN 0.545 nan 8.370 nan 0.000 0.507 344 W N 2.136 123.421 121.300 -0.025 0.000 2.358 344 W HA -0.082 4.579 4.660 0.000 0.000 0.303 344 W C 1.812 178.341 176.519 0.017 0.000 1.208 344 W CA 0.513 57.839 57.345 -0.031 0.000 1.274 344 W CB 0.063 29.492 29.460 -0.052 0.000 1.138 344 W HN 0.387 nan 8.180 nan 0.000 0.515 345 D N -1.080 119.480 120.400 0.267 0.000 2.144 345 D HA -0.083 4.557 4.640 0.001 0.000 0.200 345 D C 2.288 178.671 176.300 0.139 0.000 0.978 345 D CA 1.681 55.790 54.000 0.182 0.000 0.833 345 D CB -0.908 39.970 40.800 0.130 0.000 0.961 345 D HN 0.254 nan 8.370 nan 0.000 0.470 346 G N 0.442 109.307 108.800 0.108 0.000 2.985 346 G HA2 -0.025 3.936 3.960 0.001 0.000 0.209 346 G HA3 -0.025 3.936 3.960 0.001 0.000 0.209 346 G C 1.477 176.435 174.900 0.097 0.000 1.165 346 G CA -0.177 44.972 45.100 0.081 0.000 0.776 346 G HN 0.107 nan 8.290 nan 0.000 0.541 347 L N 1.189 122.481 121.223 0.116 0.000 1.956 347 L HA -0.037 4.303 4.340 0.001 0.000 0.216 347 L C 2.693 179.695 176.870 0.220 0.000 1.073 347 L CA 2.152 57.070 54.840 0.131 0.000 0.762 347 L CB -0.421 41.676 42.059 0.064 0.000 0.889 347 L HN 0.228 nan 8.230 nan 0.000 0.433 348 R N -0.359 120.245 120.500 0.172 0.000 2.189 348 R HA -0.110 4.230 4.340 0.001 0.000 0.223 348 R C 1.522 177.743 176.300 -0.132 0.000 1.092 348 R CA 1.453 57.540 56.100 -0.022 0.000 0.989 348 R CB -0.628 29.497 30.300 -0.291 0.000 0.876 348 R HN 0.463 nan 8.270 nan 0.000 0.457 349 D N -0.411 119.984 120.400 -0.008 0.000 2.355 349 D HA -0.002 4.638 4.640 0.001 0.000 0.218 349 D C 0.253 176.603 176.300 0.084 0.000 1.004 349 D CA 0.632 54.631 54.000 -0.002 0.000 0.880 349 D CB 0.098 40.899 40.800 0.002 0.000 0.911 349 D HN 0.317 nan 8.370 nan 0.000 0.528 350 S N -0.419 115.383 115.700 0.170 0.000 2.645 350 S HA 0.308 4.779 4.470 0.001 0.000 0.266 350 S C 0.311 175.017 174.600 0.177 0.000 1.258 350 S CA -0.883 57.410 58.200 0.154 0.000 0.990 350 S CB 1.579 64.872 63.200 0.155 0.000 0.967 350 S HN -0.139 nan 8.310 nan 0.000 0.556 351 V N 3.219 123.153 119.914 0.034 0.000 2.508 351 V HA 0.289 4.410 4.120 0.001 0.000 0.281 351 V C -1.959 173.973 176.094 -0.269 0.000 1.041 351 V CA -1.414 60.847 62.300 -0.066 0.000 1.016 351 V CB -0.046 31.729 31.823 -0.080 0.000 0.984 351 V HN 0.782 nan 8.190 nan 0.000 0.478 352 P HA 0.122 nan 4.420 nan 0.000 0.270 352 P C -1.766 175.134 177.300 -0.667 0.000 1.227 352 P CA -1.059 61.447 63.100 -0.990 0.000 0.788 352 P CB 0.025 31.231 31.700 -0.823 0.000 0.926 353 P HA -0.009 nan 4.420 nan 0.000 0.225 353 P C -0.171 177.068 177.300 -0.102 0.000 1.156 353 P CA 1.141 64.031 63.100 -0.350 0.000 0.787 353 P CB 0.185 31.679 31.700 -0.342 0.000 0.802 354 F N 0.606 120.393 119.950 -0.271 0.000 2.547 354 F HA 0.470 4.998 4.527 0.001 0.000 0.316 354 F C -0.961 174.811 175.800 -0.046 0.000 1.121 354 F CA -0.687 57.271 58.000 -0.069 0.000 0.911 354 F CB 1.678 40.724 39.000 0.076 0.000 1.179 354 F HN -0.434 nan 8.300 nan 0.000 0.443 355 T N 7.560 121.598 114.554 -0.861 0.000 2.756 355 T HA 0.439 4.789 4.350 0.001 0.000 0.290 355 T C -2.564 171.487 174.700 -1.082 0.000 0.985 355 T CA -1.192 60.470 62.100 -0.729 0.000 0.955 355 T CB 1.120 69.762 68.868 -0.377 0.000 0.930 355 T HN 0.357 nan 8.240 nan 0.000 0.451 356 P HA 0.381 nan 4.420 nan 0.000 0.274 356 P C 0.219 177.409 177.300 -0.184 0.000 1.256 356 P CA -0.284 62.585 63.100 -0.384 0.000 0.795 356 P CB 0.276 31.937 31.700 -0.065 0.000 1.038 363 D N 4.233 124.651 120.400 0.031 0.000 2.385 363 D HA 0.156 4.796 4.640 0.001 0.000 0.260 363 D C 1.363 177.641 176.300 -0.036 0.000 1.326 363 D CA 0.664 54.666 54.000 0.003 0.000 1.023 363 D CB 0.557 41.358 40.800 0.001 0.000 1.083 363 D HN 0.564 nan 8.370 nan 0.000 0.517 364 T N 0.450 114.984 114.554 -0.034 0.000 3.406 364 T HA 0.182 4.532 4.350 0.001 0.000 0.244 364 T C 1.073 175.717 174.700 -0.094 0.000 0.949 364 T CA -0.523 61.528 62.100 -0.083 0.000 0.926 364 T CB -0.413 68.431 68.868 -0.040 0.000 1.089 364 T HN 0.383 nan 8.240 nan 0.000 0.604 365 C N 0.114 119.351 119.300 -0.105 0.000 3.123 365 C HA 0.384 4.844 4.460 0.001 0.000 0.536 365 C C 0.713 175.593 174.990 -0.184 0.000 1.281 365 C CA -0.379 58.569 59.018 -0.117 0.000 2.595 365 C CB -0.077 27.621 27.740 -0.070 0.000 3.423 365 C HN 0.643 nan 8.230 nan 0.000 0.496 366 N N -0.102 118.502 118.700 -0.160 0.000 2.525 366 N HA 0.483 5.223 4.740 0.001 0.000 0.288 366 N C -1.230 174.150 175.510 -0.218 0.000 1.242 366 N CA -0.311 52.623 53.050 -0.193 0.000 0.905 366 N CB 0.645 39.113 38.487 -0.032 0.000 1.258 366 N HN 0.153 nan 8.380 nan 0.000 0.551 367 F N 0.963 120.914 119.950 0.002 0.000 2.450 367 F HA 0.151 4.679 4.527 0.001 0.000 0.339 367 F C 1.812 177.614 175.800 0.003 0.000 1.146 367 F CA -0.005 57.996 58.000 0.003 0.000 1.267 367 F CB -0.131 38.872 39.000 0.005 0.000 1.178 367 F HN 0.526 nan 8.300 nan 0.000 0.585 373 G N -1.104 107.716 108.800 0.034 0.000 2.423 373 G HA2 0.380 4.341 3.960 0.001 0.000 0.684 373 G HA3 0.380 4.341 3.960 0.001 0.000 0.684 373 G C -0.706 174.209 174.900 0.026 0.000 1.309 373 G CA -0.348 44.774 45.100 0.038 0.000 0.950 373 G HN 1.137 nan 8.290 nan 0.000 0.587 374 L N 1.554 122.792 121.223 0.024 0.000 2.615 374 L HA 0.233 4.573 4.340 0.001 0.000 0.271 374 L C 2.037 178.912 176.870 0.009 0.000 1.183 374 L CA 1.064 55.909 54.840 0.008 0.000 0.933 374 L CB 0.505 42.561 42.059 -0.006 0.000 1.199 374 L HN 1.050 nan 8.230 nan 0.000 0.487 375 T N -1.552 113.009 114.554 0.011 0.000 3.058 375 T HA 0.102 4.453 4.350 0.001 0.000 0.247 375 T C 1.544 176.262 174.700 0.031 0.000 0.987 375 T CA 0.472 62.585 62.100 0.021 0.000 1.062 375 T CB 0.243 69.124 68.868 0.021 0.000 1.048 375 T HN 0.504 nan 8.240 nan 0.000 0.468 376 A N 1.607 124.445 122.820 0.030 0.000 2.016 376 A HA 0.401 4.721 4.320 0.001 0.000 0.217 376 A C 1.640 179.268 177.584 0.074 0.000 1.162 376 A CA 0.628 52.696 52.037 0.052 0.000 0.662 376 A CB -0.420 18.609 19.000 0.048 0.000 0.812 376 A HN 0.483 nan 8.150 nan 0.000 0.450 377 M N 1.159 120.769 119.600 0.015 0.000 3.136 377 M HA 0.299 4.779 4.480 0.001 0.000 0.240 377 M C -0.546 175.678 176.300 -0.127 0.000 1.138 377 M CA -0.044 55.221 55.300 -0.057 0.000 0.866 377 M CB -0.077 32.366 32.600 -0.260 0.000 1.340 377 M HN 0.268 nan 8.290 nan 0.000 0.539 382 G N -0.269 108.594 108.800 0.105 0.000 2.483 382 G HA2 0.611 4.571 3.960 0.001 0.000 0.248 382 G HA3 0.611 4.571 3.960 0.001 0.000 0.248 382 G C 0.284 175.259 174.900 0.126 0.000 1.248 382 G CA 1.079 46.245 45.100 0.110 0.000 0.838 382 G HN 1.198 nan 8.290 nan 0.000 0.566 383 E N -0.255 120.031 120.200 0.143 0.000 2.392 383 E HA 0.515 4.866 4.350 0.001 0.000 0.264 383 E C 0.816 177.566 176.600 0.251 0.000 1.024 383 E CA 0.126 56.639 56.400 0.188 0.000 0.903 383 E CB 0.427 30.276 29.700 0.248 0.000 0.963 383 E HN 1.082 nan 8.360 nan 0.000 0.432 384 T N -1.673 112.938 114.554 0.094 0.000 2.910 384 T HA 0.554 4.904 4.350 0.001 0.000 0.287 384 T C 1.243 175.769 174.700 -0.289 0.000 1.050 384 T CA -0.468 61.599 62.100 -0.055 0.000 1.011 384 T CB 0.730 69.499 68.868 -0.164 0.000 1.195 384 T HN 0.363 nan 8.240 nan 0.000 0.540 385 L N 0.525 121.540 121.223 -0.347 0.000 2.079 385 L HA -0.088 4.252 4.340 0.001 0.000 0.210 385 L C 3.012 179.686 176.870 -0.327 0.000 1.081 385 L CA 1.345 55.908 54.840 -0.462 0.000 0.752 385 L CB -0.749 41.113 42.059 -0.328 0.000 0.896 385 L HN 0.731 nan 8.230 nan 0.000 0.433 386 S N -0.412 115.162 115.700 -0.210 0.000 2.419 386 S HA -0.163 4.308 4.470 0.001 0.000 0.233 386 S C 1.425 175.949 174.600 -0.126 0.000 1.016 386 S CA 1.296 59.416 58.200 -0.133 0.000 0.974 386 S CB -0.244 62.909 63.200 -0.078 0.000 0.786 386 S HN 0.489 nan 8.310 nan 0.000 0.492 387 D N 1.138 121.452 120.400 -0.143 0.000 2.162 387 D HA 0.117 4.757 4.640 0.001 0.000 0.205 387 D C 1.332 177.536 176.300 -0.160 0.000 0.964 387 D CA 0.730 54.665 54.000 -0.107 0.000 0.847 387 D CB -0.749 40.019 40.800 -0.054 0.000 0.988 387 D HN 0.419 nan 8.370 nan 0.000 0.480 396 V N -2.695 117.169 119.914 -0.085 0.000 2.759 396 V HA -0.010 4.110 4.120 0.001 0.000 0.256 396 V C 1.844 177.882 176.094 -0.093 0.000 1.080 396 V CA 2.080 64.306 62.300 -0.124 0.000 1.101 396 V CB -0.903 30.792 31.823 -0.215 0.000 0.698 396 V HN 0.421 nan 8.190 nan 0.000 0.477 397 H N -0.271 118.872 119.070 0.121 0.000 2.548 397 H HA 0.333 4.889 4.556 0.001 0.000 0.265 397 H C 2.012 177.417 175.328 0.129 0.000 0.969 397 H CA 0.582 56.769 56.048 0.233 0.000 1.155 397 H CB 0.076 29.951 29.762 0.189 0.000 1.394 397 H HN 0.355 nan 8.280 nan 0.000 0.570 398 L N 0.702 121.984 121.223 0.098 0.000 2.046 398 L HA -0.101 4.239 4.340 0.001 0.000 0.208 398 L C -0.506 176.327 176.870 -0.062 0.000 1.077 398 L CA 0.943 55.805 54.840 0.038 0.000 0.747 398 L CB -1.177 40.888 42.059 0.010 0.000 0.896 398 L HN 0.237 nan 8.230 nan 0.000 0.432 399 P HA -0.150 nan 4.420 nan 0.000 0.228 399 P C 0.856 177.946 177.300 -0.349 0.000 1.151 399 P CA 1.417 64.283 63.100 -0.390 0.000 0.770 399 P CB -0.053 31.262 31.700 -0.641 0.000 0.786 400 F N -2.287 117.787 119.950 0.207 0.000 2.678 400 F HA 0.255 4.783 4.527 0.001 0.000 0.305 400 F C 1.520 177.464 175.800 0.239 0.000 1.090 400 F CA -0.657 57.472 58.000 0.215 0.000 1.272 400 F CB -0.697 38.316 39.000 0.022 0.000 1.060 400 F HN -0.299 nan 8.300 nan 0.000 0.576 401 V N 1.454 121.535 119.914 0.278 0.000 2.475 401 V HA 0.413 4.533 4.120 0.001 0.000 0.292 401 V C 1.183 177.416 176.094 0.232 0.000 1.003 401 V CA 1.142 63.577 62.300 0.226 0.000 1.120 401 V CB -0.597 31.314 31.823 0.147 0.000 0.937 401 V HN 0.583 nan 8.190 nan 0.000 0.476 402 G N 2.867 111.818 108.800 0.251 0.000 2.179 402 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 402 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 402 G C 0.605 175.676 174.900 0.286 0.000 0.990 402 G CA 0.809 46.043 45.100 0.224 0.000 0.646 402 G HN 1.291 nan 8.290 nan 0.000 0.517 403 Y N 1.970 122.413 120.300 0.238 0.000 2.220 403 Y HA 0.286 4.837 4.550 0.001 0.000 0.291 403 Y C 1.950 177.998 175.900 0.246 0.000 1.129 403 Y CA 1.673 59.925 58.100 0.254 0.000 1.161 403 Y CB 0.134 38.772 38.460 0.298 0.000 0.997 403 Y HN 0.261 nan 8.280 nan 0.000 0.522 404 S N 0.356 116.290 115.700 0.390 0.000 2.563 404 S HA -0.002 4.468 4.470 0.001 0.000 0.284 404 S C -1.221 173.564 174.600 0.308 0.000 1.331 404 S CA 0.061 58.474 58.200 0.354 0.000 1.047 404 S CB 0.251 63.638 63.200 0.312 0.000 0.859 404 S HN 0.340 nan 8.310 nan 0.000 0.514 405 Y N 2.023 122.425 120.300 0.169 0.000 2.315 405 Y HA 0.350 4.900 4.550 0.001 0.000 0.324 405 Y C 0.081 176.096 175.900 0.192 0.000 1.062 405 Y CA -0.569 57.604 58.100 0.123 0.000 1.159 405 Y CB 0.735 39.219 38.460 0.039 0.000 1.145 405 Y HN 0.919 nan 8.280 nan 0.000 0.442 406 S N 2.546 118.046 115.700 -0.334 0.000 3.292 406 S HA -0.268 4.203 4.470 0.001 0.000 0.360 406 S C 0.255 174.884 174.600 0.049 0.000 0.930 406 S CA 0.795 58.836 58.200 -0.266 0.000 1.317 406 S CB -2.438 60.424 63.200 -0.564 0.000 0.920 406 S HN 1.577 nan 8.310 nan 0.000 0.540 407 C N -0.994 118.342 119.300 0.060 0.000 2.548 407 C HA 0.805 5.265 4.460 0.001 0.000 0.297 407 C C 1.361 176.296 174.990 -0.091 0.000 1.422 407 C CA -0.077 58.945 59.018 0.007 0.000 1.785 407 C CB -0.921 26.835 27.740 0.027 0.000 2.593 407 C HN 1.319 nan 8.230 nan 0.000 0.545 408 M N 0.071 119.638 119.600 -0.054 0.000 3.346 408 M HA 0.775 5.255 4.480 0.001 0.000 0.240 408 M C 0.928 177.181 176.300 -0.078 0.000 1.190 408 M CA 0.575 55.830 55.300 -0.075 0.000 1.192 408 M CB -1.234 31.339 32.600 -0.045 0.000 1.182 408 M HN 0.830 nan 8.290 nan 0.000 0.570 409 A N 0.819 123.557 122.820 -0.136 0.000 2.604 409 A HA 0.597 4.917 4.320 0.001 0.000 0.248 409 A C 0.009 177.516 177.584 -0.128 0.000 1.466 409 A CA 0.212 52.177 52.037 -0.120 0.000 1.222 409 A CB -0.630 18.192 19.000 -0.297 0.000 0.945 409 A HN 0.815 nan 8.150 nan 0.000 0.600 410 L N -1.177 119.986 121.223 -0.101 0.000 2.397 410 L HA 0.698 5.039 4.340 0.001 0.000 0.251 410 L C -0.252 176.579 176.870 -0.064 0.000 1.064 410 L CA -0.479 54.304 54.840 -0.095 0.000 0.859 410 L CB 2.007 43.994 42.059 -0.120 0.000 1.468 410 L HN 0.480 nan 8.230 nan 0.000 0.411 411 R N -0.716 119.749 120.500 -0.058 0.000 2.707 411 R HA 0.436 4.777 4.340 0.001 0.000 0.272 411 R C -0.434 175.839 176.300 -0.045 0.000 1.011 411 R CA -0.939 55.134 56.100 -0.044 0.000 0.893 411 R CB 1.017 31.297 30.300 -0.032 0.000 1.233 411 R HN 0.458 nan 8.270 nan 0.000 0.464 412 D N 1.052 121.429 120.400 -0.038 0.000 2.569 412 D HA -0.325 4.315 4.640 0.001 0.000 0.191 412 D C 1.648 177.925 176.300 -0.039 0.000 1.042 412 D CA 3.025 57.003 54.000 -0.037 0.000 0.873 412 D CB -0.207 40.575 40.800 -0.029 0.000 0.946 412 D HN 0.651 nan 8.370 nan 0.000 0.467 413 S N -0.478 115.201 115.700 -0.035 0.000 2.469 413 S HA -0.147 4.323 4.470 0.001 0.000 0.238 413 S C 1.208 175.784 174.600 -0.041 0.000 0.998 413 S CA 0.870 59.049 58.200 -0.034 0.000 0.957 413 S CB -0.250 62.933 63.200 -0.029 0.000 0.764 413 S HN 0.412 nan 8.310 nan 0.000 0.514 414 E N 0.570 120.740 120.200 -0.049 0.000 2.499 414 E HA 0.425 4.775 4.350 0.001 0.000 0.199 414 E C -0.062 176.497 176.600 -0.069 0.000 1.016 414 E CA 0.116 56.480 56.400 -0.060 0.000 0.933 414 E CB 0.925 30.584 29.700 -0.068 0.000 1.050 414 E HN 0.616 nan 8.360 nan 0.000 0.462 415 V N 2.114 121.992 119.914 -0.061 0.000 2.444 415 V HA 0.352 4.472 4.120 0.001 0.000 0.294 415 V C -1.988 174.073 176.094 -0.056 0.000 1.022 415 V CA -1.976 60.285 62.300 -0.065 0.000 0.850 415 V CB 0.527 32.311 31.823 -0.065 0.000 0.992 415 V HN -0.086 nan 8.190 nan 0.000 0.426 416 P HA 0.000 nan 4.420 nan 0.000 0.216 416 P CA 0.000 63.071 63.100 -0.048 0.000 0.800 416 P CB 0.000 31.670 31.700 -0.050 0.000 0.726