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 1pw4_1_A DATA FIRST_RESID 5 DATA SEQUENCE FKPAPHKARL PAAEIDPTYR RLRWQIFLGI FFGYAAYYLV RKNFALAMPY DATA SEQUENCE LVEQGFSRGD LGFALSGISI AYGFSKFIMG SVSDRSNPRV FLPAGLILAA DATA SEQUENCE AVMLFMGFVP WATSSIAVMF VLLFLCGWFQ GMGWPPCGRT MVHWWSQKER DATA SEQUENCE GGIVSVWNCA HNVGGGIPPL LFLLGMAWFN DWHAALYMPA FCAILVALFA DATA SEQUENCE FAMMRDTPQS CGLPPIEEYK NDXXXXXXXX XXXXXTAKQI FMQYVLPNKL DATA SEQUENCE LWYIAIANVF VYLLRYGILD WSPTYLKEVK HFALDKSSWA YFLYEYAGIP DATA SEQUENCE GTLLCGWMSD KVFRGNRGAT GVFFMTLVTI ATIVYWMNPA GNPTVDMICM DATA SEQUENCE IVIGFLIYGP VMLIGLHALE LAPKKAAGTA AGFTGLFGYL GGSVAASAIV DATA SEQUENCE GYTVDFFGWD GGFMVMIGGS ILAVILLIVV MIGEKRRHEQ LLQELVP 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.823 175.800 0.038 0.000 0.967 5 F CA 0.000 58.017 58.000 0.028 0.000 1.383 5 F CB 0.000 39.017 39.000 0.029 0.000 1.145 6 K N 0.553 121.083 120.400 0.218 0.000 2.542 6 K HA 0.639 4.961 4.320 0.004 0.000 0.259 6 K C -3.440 173.267 176.600 0.177 0.000 0.932 6 K CA -1.691 54.700 56.287 0.173 0.000 0.820 6 K CB 1.236 33.818 32.500 0.136 0.000 1.345 6 K HN 0.368 nan 8.250 nan 0.000 0.432 7 P HA 0.164 nan 4.420 nan 0.000 0.264 7 P C -1.181 176.192 177.300 0.122 0.000 1.156 7 P CA 0.334 63.513 63.100 0.133 0.000 0.756 7 P CB 0.206 31.966 31.700 0.101 0.000 0.764 8 A N 4.230 127.121 122.820 0.119 0.000 2.485 8 A HA 0.484 4.806 4.320 0.004 0.000 0.285 8 A C -2.026 175.633 177.584 0.126 0.000 1.045 8 A CA -0.721 51.389 52.037 0.121 0.000 0.792 8 A CB 1.282 20.363 19.000 0.135 0.000 1.307 8 A HN 0.403 nan 8.150 nan 0.000 0.406 9 P HA -0.014 nan 4.420 nan 0.000 0.212 9 P C 0.571 177.891 177.300 0.033 0.000 1.171 9 P CA 1.770 64.893 63.100 0.038 0.000 0.892 9 P CB -0.145 31.554 31.700 -0.002 0.000 0.769 10 H N -0.533 118.533 119.070 -0.008 0.000 2.958 10 H HA -0.154 4.404 4.556 0.004 0.000 0.274 10 H C -0.273 175.039 175.328 -0.027 0.000 1.184 10 H CA 0.794 56.835 56.048 -0.012 0.000 1.143 10 H CB -2.740 27.021 29.762 -0.001 0.000 1.297 10 H HN 0.353 nan 8.280 nan 0.000 0.356 11 K N 0.599 120.868 120.400 -0.219 0.000 2.436 11 K HA 0.598 4.920 4.320 0.004 0.000 0.275 11 K C -0.244 176.274 176.600 -0.136 0.000 0.999 11 K CA 0.053 56.197 56.287 -0.237 0.000 0.980 11 K CB 1.359 33.760 32.500 -0.166 0.000 0.919 11 K HN 0.700 nan 8.250 nan 0.000 0.484 12 A N 3.205 125.945 122.820 -0.134 0.000 2.456 12 A HA 0.313 4.635 4.320 0.004 0.000 0.288 12 A C -1.106 176.428 177.584 -0.083 0.000 1.042 12 A CA -0.895 51.098 52.037 -0.073 0.000 0.738 12 A CB 1.313 20.295 19.000 -0.029 0.000 1.266 12 A HN 0.809 nan 8.150 nan 0.000 0.407 13 R N 1.970 122.428 120.500 -0.071 0.000 2.234 13 R HA 0.426 4.768 4.340 0.004 0.000 0.324 13 R C -0.509 175.753 176.300 -0.065 0.000 1.054 13 R CA -0.419 55.635 56.100 -0.077 0.000 0.912 13 R CB 0.693 30.951 30.300 -0.070 0.000 1.030 13 R HN 0.604 nan 8.270 nan 0.000 0.455 14 L N 7.381 128.558 121.223 -0.076 0.000 3.202 14 L HA 0.343 4.685 4.340 0.004 0.000 0.278 14 L C -2.015 174.809 176.870 -0.075 0.000 1.268 14 L CA -1.608 53.193 54.840 -0.065 0.000 1.034 14 L CB 0.614 42.636 42.059 -0.061 0.000 1.407 14 L HN 0.516 nan 8.230 nan 0.000 0.581 15 P HA -0.334 nan 4.420 nan 0.000 0.216 15 P C 0.766 178.023 177.300 -0.072 0.000 1.062 15 P CA 2.774 65.822 63.100 -0.087 0.000 0.995 15 P CB -0.041 31.618 31.700 -0.067 0.000 0.762 16 A N -2.735 120.054 122.820 -0.052 0.000 2.846 16 A HA 0.097 4.419 4.320 0.004 0.000 0.287 16 A C 0.619 178.180 177.584 -0.038 0.000 1.469 16 A CA 0.896 52.907 52.037 -0.043 0.000 0.757 16 A CB -2.284 16.690 19.000 -0.045 0.000 1.033 16 A HN 1.259 nan 8.150 nan 0.000 0.516 17 A N -1.087 121.713 122.820 -0.033 0.000 1.888 17 A HA 0.247 4.570 4.320 0.004 0.000 0.243 17 A C 0.574 178.140 177.584 -0.030 0.000 1.351 17 A CA 1.720 53.741 52.037 -0.026 0.000 0.702 17 A CB -1.660 17.328 19.000 -0.021 0.000 1.185 17 A HN 2.174 nan 8.150 nan 0.000 0.265 18 E N -0.166 120.016 120.200 -0.030 0.000 2.300 18 E HA -0.155 4.197 4.350 0.004 0.000 0.238 18 E C 0.411 176.980 176.600 -0.050 0.000 1.186 18 E CA 0.520 56.901 56.400 -0.031 0.000 0.717 18 E CB -0.939 28.746 29.700 -0.025 0.000 1.212 18 E HN 0.715 nan 8.360 nan 0.000 0.415 19 I N 0.646 121.175 120.570 -0.069 0.000 2.852 19 I HA -0.105 4.067 4.170 0.004 0.000 0.264 19 I C 1.867 177.928 176.117 -0.094 0.000 1.179 19 I CA 0.888 62.112 61.300 -0.127 0.000 1.480 19 I CB -0.384 37.506 38.000 -0.184 0.000 1.111 19 I HN 0.308 nan 8.210 nan 0.000 0.441 20 D N 1.688 122.076 120.400 -0.020 0.000 2.127 20 D HA -0.202 4.440 4.640 0.004 0.000 0.190 20 D C -0.451 175.867 176.300 0.030 0.000 1.000 20 D CA 1.644 55.669 54.000 0.042 0.000 0.839 20 D CB -1.972 38.840 40.800 0.019 0.000 0.955 20 D HN 0.229 nan 8.370 nan 0.000 0.446 21 P HA -0.139 nan 4.420 nan 0.000 0.216 21 P C 1.501 178.797 177.300 -0.008 0.000 1.153 21 P CA 2.493 65.585 63.100 -0.012 0.000 0.858 21 P CB -0.299 31.389 31.700 -0.021 0.000 0.789 22 T N -5.514 109.023 114.554 -0.029 0.000 3.160 22 T HA -0.088 4.264 4.350 0.004 0.000 0.257 22 T C 1.681 176.378 174.700 -0.005 0.000 1.147 22 T CA 0.564 62.642 62.100 -0.037 0.000 1.064 22 T CB -1.083 67.734 68.868 -0.085 0.000 0.949 22 T HN 0.169 nan 8.240 nan 0.000 0.526 23 Y N 0.999 121.229 120.300 -0.117 0.000 2.262 23 Y HA 0.160 4.712 4.550 0.003 0.000 0.295 23 Y C 3.036 178.828 175.900 -0.180 0.000 1.121 23 Y CA -0.086 57.910 58.100 -0.173 0.000 1.144 23 Y CB 0.146 38.480 38.460 -0.210 0.000 1.043 23 Y HN 0.067 nan 8.280 nan 0.000 0.528 24 R N 0.265 120.782 120.500 0.029 0.000 2.113 24 R HA -0.228 4.114 4.340 0.004 0.000 0.244 24 R C 2.265 178.589 176.300 0.040 0.000 1.142 24 R CA 2.107 58.185 56.100 -0.037 0.000 0.953 24 R CB -0.138 30.138 30.300 -0.039 0.000 0.860 24 R HN 0.310 nan 8.270 nan 0.000 0.438 25 R N -0.196 120.343 120.500 0.065 0.000 2.073 25 R HA -0.014 4.328 4.340 0.004 0.000 0.229 25 R C 2.170 178.551 176.300 0.134 0.000 1.120 25 R CA 0.822 57.002 56.100 0.135 0.000 0.967 25 R CB -0.252 30.102 30.300 0.091 0.000 0.862 25 R HN 0.219 nan 8.270 nan 0.000 0.436 26 L N 0.577 121.843 121.223 0.072 0.000 2.353 26 L HA -0.135 4.207 4.340 0.004 0.000 0.220 26 L C 2.005 178.873 176.870 -0.004 0.000 1.133 26 L CA 1.478 56.341 54.840 0.040 0.000 0.798 26 L CB -0.286 41.795 42.059 0.037 0.000 0.922 26 L HN 0.239 nan 8.230 nan 0.000 0.445 27 R N -2.122 118.347 120.500 -0.052 0.000 2.103 27 R HA -0.111 4.231 4.340 0.004 0.000 0.212 27 R C 2.002 178.366 176.300 0.106 0.000 1.107 27 R CA 0.721 56.675 56.100 -0.244 0.000 1.025 27 R CB -0.305 29.600 30.300 -0.660 0.000 0.929 27 R HN 0.222 nan 8.270 nan 0.000 0.456 28 W N 2.514 123.837 121.300 0.038 0.000 2.392 28 W HA -0.123 4.539 4.660 0.004 0.000 0.279 28 W C 2.093 178.728 176.519 0.194 0.000 1.225 28 W CA 1.368 58.828 57.345 0.192 0.000 1.233 28 W CB 0.003 29.537 29.460 0.123 0.000 1.122 28 W HN 0.106 nan 8.180 nan 0.000 0.561 29 Q N 0.397 120.299 119.800 0.169 0.000 1.965 29 Q HA -0.247 4.095 4.340 0.004 0.000 0.200 29 Q C 2.399 178.391 176.000 -0.013 0.000 0.981 29 Q CA 2.328 58.132 55.803 0.001 0.000 0.834 29 Q CB -0.782 27.977 28.738 0.035 0.000 0.900 29 Q HN 0.441 nan 8.270 nan 0.000 0.426 30 I N 0.521 121.131 120.570 0.066 0.000 2.208 30 I HA -0.287 3.885 4.170 0.004 0.000 0.245 30 I C 2.244 178.537 176.117 0.293 0.000 1.097 30 I CA 1.342 62.718 61.300 0.127 0.000 1.363 30 I CB -0.238 37.830 38.000 0.113 0.000 1.051 30 I HN 0.449 nan 8.210 nan 0.000 0.413 31 F N 1.131 121.236 119.950 0.259 0.000 2.063 31 F HA -0.358 4.171 4.527 0.003 0.000 0.298 31 F C 2.030 177.983 175.800 0.255 0.000 1.109 31 F CA 1.718 59.920 58.000 0.336 0.000 1.212 31 F CB -0.162 39.083 39.000 0.410 0.000 0.973 31 F HN 0.034 nan 8.300 nan 0.000 0.480 32 L N 1.234 122.342 121.223 -0.191 0.000 2.083 32 L HA -0.108 4.234 4.340 0.004 0.000 0.209 32 L C 2.835 179.914 176.870 0.349 0.000 1.083 32 L CA 1.721 56.513 54.840 -0.080 0.000 0.752 32 L CB -1.758 40.261 42.059 -0.066 0.000 0.899 32 L HN 0.338 nan 8.230 nan 0.000 0.433 33 G N 0.983 109.939 108.800 0.260 0.000 2.739 33 G HA2 -0.313 3.649 3.960 0.004 0.000 0.216 33 G HA3 -0.313 3.649 3.960 0.004 0.000 0.216 33 G C 1.541 176.646 174.900 0.341 0.000 1.298 33 G CA 1.445 46.723 45.100 0.296 0.000 0.804 33 G HN 0.541 nan 8.290 nan 0.000 0.623 34 I N -1.930 118.803 120.570 0.272 0.000 2.264 34 I HA -0.074 4.099 4.170 0.004 0.000 0.248 34 I C 2.557 178.819 176.117 0.242 0.000 1.111 34 I CA 1.760 63.197 61.300 0.228 0.000 1.382 34 I CB -0.570 37.531 38.000 0.168 0.000 1.060 34 I HN 0.148 nan 8.210 nan 0.000 0.418 35 F N 2.001 122.030 119.950 0.131 0.000 2.075 35 F HA -0.168 4.361 4.527 0.004 0.000 0.297 35 F C 2.023 177.780 175.800 -0.073 0.000 1.113 35 F CA 1.737 59.744 58.000 0.012 0.000 1.218 35 F CB -0.462 38.421 39.000 -0.194 0.000 0.984 35 F HN -0.100 nan 8.300 nan 0.000 0.472 36 F N 0.412 120.446 119.950 0.140 0.000 2.367 36 F HA 0.092 4.621 4.527 0.004 0.000 0.298 36 F C 2.566 178.383 175.800 0.028 0.000 1.094 36 F CA 1.054 59.058 58.000 0.007 0.000 1.409 36 F CB -1.123 37.881 39.000 0.006 0.000 1.064 36 F HN 0.069 nan 8.300 nan 0.000 0.528 37 G N -0.796 108.175 108.800 0.286 0.000 2.453 37 G HA2 -0.341 3.621 3.960 0.004 0.000 0.215 37 G HA3 -0.341 3.621 3.960 0.004 0.000 0.215 37 G C 1.545 176.600 174.900 0.259 0.000 1.201 37 G CA 0.828 46.096 45.100 0.280 0.000 0.784 37 G HN 0.313 nan 8.290 nan 0.000 0.545 38 Y N 2.144 122.429 120.300 -0.025 0.000 2.128 38 Y HA -0.076 4.476 4.550 0.003 0.000 0.284 38 Y C 3.027 178.788 175.900 -0.232 0.000 1.154 38 Y CA 1.141 59.124 58.100 -0.195 0.000 1.149 38 Y CB -0.689 37.631 38.460 -0.233 0.000 0.976 38 Y HN 0.262 nan 8.280 nan 0.000 0.505 39 A N 0.354 123.001 122.820 -0.289 0.000 1.917 39 A HA -0.238 4.084 4.320 0.004 0.000 0.219 39 A C 2.486 179.960 177.584 -0.184 0.000 1.182 39 A CA 2.368 54.204 52.037 -0.335 0.000 0.633 39 A CB -1.585 17.123 19.000 -0.486 0.000 0.819 39 A HN 0.594 nan 8.150 nan 0.000 0.448 40 A N -1.575 121.210 122.820 -0.059 0.000 1.986 40 A HA -0.145 4.177 4.320 0.004 0.000 0.220 40 A C 2.011 179.512 177.584 -0.138 0.000 1.171 40 A CA 1.748 53.759 52.037 -0.044 0.000 0.640 40 A CB -0.832 18.162 19.000 -0.009 0.000 0.811 40 A HN 0.615 nan 8.150 nan 0.000 0.451 41 Y N -1.383 118.664 120.300 -0.423 0.000 2.165 41 Y HA -0.255 4.297 4.550 0.003 0.000 0.286 41 Y C 2.160 177.762 175.900 -0.496 0.000 1.155 41 Y CA 1.621 59.415 58.100 -0.509 0.000 1.164 41 Y CB -0.892 37.096 38.460 -0.787 0.000 0.978 41 Y HN 0.492 nan 8.280 nan 0.000 0.513 42 Y N -0.982 119.229 120.300 -0.149 0.000 2.483 42 Y HA -0.212 4.340 4.550 0.003 0.000 0.291 42 Y C 2.062 177.891 175.900 -0.120 0.000 1.143 42 Y CA 0.238 58.206 58.100 -0.220 0.000 1.289 42 Y CB -0.420 37.846 38.460 -0.323 0.000 0.983 42 Y HN 0.109 nan 8.280 nan 0.000 0.556 43 L N -1.295 119.940 121.223 0.021 0.000 2.093 43 L HA -0.193 4.150 4.340 0.004 0.000 0.208 43 L C 2.193 179.060 176.870 -0.004 0.000 1.085 43 L CA 0.702 55.551 54.840 0.014 0.000 0.755 43 L CB -0.552 41.504 42.059 -0.005 0.000 0.904 43 L HN 0.039 nan 8.230 nan 0.000 0.435 44 V N -0.279 119.612 119.914 -0.038 0.000 2.515 44 V HA -0.223 3.900 4.120 0.004 0.000 0.250 44 V C 2.498 178.580 176.094 -0.020 0.000 1.058 44 V CA 1.616 63.894 62.300 -0.038 0.000 1.064 44 V CB -0.656 31.116 31.823 -0.085 0.000 0.675 44 V HN 0.433 nan 8.190 nan 0.000 0.461 45 R N 0.350 120.844 120.500 -0.011 0.000 2.100 45 R HA 0.083 4.425 4.340 0.004 0.000 0.220 45 R C 0.689 176.981 176.300 -0.013 0.000 1.091 45 R CA 0.615 56.700 56.100 -0.026 0.000 0.986 45 R CB -0.005 30.272 30.300 -0.038 0.000 0.888 45 R HN 0.331 nan 8.270 nan 0.000 0.444 46 K N 1.386 121.794 120.400 0.013 0.000 2.682 46 K HA 0.250 4.572 4.320 0.004 0.000 0.189 46 K C -0.443 176.162 176.600 0.008 0.000 1.062 46 K CA -0.168 56.126 56.287 0.012 0.000 0.997 46 K CB 1.072 33.575 32.500 0.004 0.000 1.405 46 K HN 0.103 nan 8.250 nan 0.000 0.588 47 N N 0.516 119.232 118.700 0.027 0.000 2.305 47 N HA -0.061 4.681 4.740 0.004 0.000 0.179 47 N C 1.429 176.996 175.510 0.094 0.000 1.019 47 N CA 0.615 53.694 53.050 0.048 0.000 0.869 47 N CB -0.062 38.469 38.487 0.073 0.000 1.000 47 N HN 0.237 nan 8.380 nan 0.000 0.431 48 F N 2.718 122.633 119.950 -0.058 0.000 2.171 48 F HA -0.001 4.528 4.527 0.003 0.000 0.300 48 F C 2.293 178.044 175.800 -0.082 0.000 1.090 48 F CA 0.762 58.730 58.000 -0.054 0.000 1.293 48 F CB -0.544 38.420 39.000 -0.061 0.000 1.013 48 F HN 0.002 nan 8.300 nan 0.000 0.486 49 A N 0.573 123.339 122.820 -0.090 0.000 1.884 49 A HA -0.251 4.071 4.320 0.004 0.000 0.219 49 A C 2.372 179.788 177.584 -0.279 0.000 1.197 49 A CA 2.121 54.018 52.037 -0.234 0.000 0.637 49 A CB -1.389 17.518 19.000 -0.155 0.000 0.827 49 A HN 0.473 nan 8.150 nan 0.000 0.450 50 L N -1.053 120.037 121.223 -0.222 0.000 2.191 50 L HA -0.209 4.134 4.340 0.004 0.000 0.212 50 L C 3.009 179.644 176.870 -0.392 0.000 1.103 50 L CA 0.903 55.537 54.840 -0.343 0.000 0.769 50 L CB -0.358 41.505 42.059 -0.328 0.000 0.908 50 L HN 0.496 nan 8.230 nan 0.000 0.438 51 A N -0.257 122.413 122.820 -0.249 0.000 1.877 51 A HA -0.254 4.068 4.320 0.004 0.000 0.216 51 A C 2.241 179.662 177.584 -0.271 0.000 1.186 51 A CA 1.734 53.677 52.037 -0.157 0.000 0.620 51 A CB -0.454 18.447 19.000 -0.166 0.000 0.822 51 A HN 0.367 nan 8.150 nan 0.000 0.443 52 M N -0.106 119.218 119.600 -0.459 0.000 2.144 52 M HA -0.139 4.344 4.480 0.004 0.000 0.260 52 M C -0.488 175.673 176.300 -0.233 0.000 1.067 52 M CA 2.144 57.239 55.300 -0.342 0.000 1.095 52 M CB -1.357 31.049 32.600 -0.324 0.000 1.365 52 M HN 0.347 nan 8.290 nan 0.000 0.406 53 P HA -0.129 nan 4.420 nan 0.000 0.217 53 P C 1.105 178.222 177.300 -0.305 0.000 1.154 53 P CA 1.540 64.442 63.100 -0.331 0.000 0.841 53 P CB -0.205 31.220 31.700 -0.459 0.000 0.788 54 Y N 0.440 120.621 120.300 -0.198 0.000 2.036 54 Y HA -0.119 4.433 4.550 0.003 0.000 0.273 54 Y C 2.073 177.876 175.900 -0.160 0.000 1.135 54 Y CA -0.146 57.834 58.100 -0.200 0.000 1.106 54 Y CB -1.116 37.270 38.460 -0.124 0.000 0.976 54 Y HN -0.138 nan 8.280 nan 0.000 0.483 55 L N 1.131 122.401 121.223 0.078 0.000 2.516 55 L HA -0.024 4.318 4.340 0.004 0.000 0.288 55 L C 0.930 177.767 176.870 -0.055 0.000 1.246 55 L CA 0.475 55.322 54.840 0.012 0.000 0.844 55 L CB 0.578 42.622 42.059 -0.025 0.000 1.106 55 L HN 0.453 nan 8.230 nan 0.000 0.509 56 V N 0.176 120.051 119.914 -0.065 0.000 5.083 56 V HA -0.294 3.829 4.120 0.004 0.000 0.286 56 V C 1.160 177.251 176.094 -0.005 0.000 0.428 56 V CA 1.616 63.937 62.300 0.035 0.000 0.750 56 V CB -2.373 29.515 31.823 0.109 0.000 0.642 56 V HN 1.068 nan 8.190 nan 0.000 1.362 57 E N 0.259 120.420 120.200 -0.066 0.000 2.077 57 E HA -0.136 4.216 4.350 0.004 0.000 0.193 57 E C 1.136 177.726 176.600 -0.017 0.000 0.989 57 E CA 1.288 57.637 56.400 -0.086 0.000 0.800 57 E CB -0.008 29.604 29.700 -0.147 0.000 0.746 57 E HN 0.958 nan 8.360 nan 0.000 0.452 58 Q N 0.033 119.839 119.800 0.011 0.000 2.333 58 Q HA -0.004 4.338 4.340 0.004 0.000 0.299 58 Q C 1.179 177.273 176.000 0.157 0.000 1.067 58 Q CA 0.114 55.972 55.803 0.092 0.000 0.943 58 Q CB 0.389 29.198 28.738 0.117 0.000 1.233 58 Q HN 0.286 nan 8.270 nan 0.000 0.401 59 G N 2.066 110.948 108.800 0.136 0.000 2.621 59 G HA2 -0.269 3.693 3.960 0.004 0.000 0.215 59 G HA3 -0.269 3.693 3.960 0.004 0.000 0.215 59 G C 0.708 175.693 174.900 0.142 0.000 1.127 59 G CA 0.249 45.411 45.100 0.105 0.000 0.747 59 G HN 0.588 nan 8.290 nan 0.000 0.561 60 F N 2.567 122.532 119.950 0.025 0.000 2.041 60 F HA -0.197 4.333 4.527 0.005 0.000 0.296 60 F C 2.390 178.228 175.800 0.064 0.000 1.147 60 F CA 1.544 59.573 58.000 0.048 0.000 1.214 60 F CB -0.991 38.040 39.000 0.051 0.000 0.947 60 F HN 0.195 nan 8.300 nan 0.000 0.511 61 S N 1.311 117.183 115.700 0.286 0.000 2.575 61 S HA 0.042 4.514 4.470 0.004 0.000 0.295 61 S C 0.808 175.487 174.600 0.132 0.000 1.267 61 S CA -0.352 57.971 58.200 0.204 0.000 1.074 61 S CB 0.824 64.129 63.200 0.175 0.000 0.829 61 S HN 0.371 nan 8.310 nan 0.000 0.497 62 R N 2.838 123.411 120.500 0.123 0.000 2.164 62 R HA 0.333 4.676 4.340 0.004 0.000 0.198 62 R C 1.563 177.902 176.300 0.065 0.000 1.028 62 R CA 0.440 56.564 56.100 0.039 0.000 1.083 62 R CB -0.006 30.268 30.300 -0.043 0.000 1.026 62 R HN 0.910 nan 8.270 nan 0.000 0.514 63 G N 1.369 110.275 108.800 0.176 0.000 2.559 63 G HA2 -0.216 3.746 3.960 0.004 0.000 0.202 63 G HA3 -0.216 3.746 3.960 0.004 0.000 0.202 63 G C 0.338 175.546 174.900 0.513 0.000 0.992 63 G CA 0.267 45.553 45.100 0.310 0.000 0.764 63 G HN 0.356 nan 8.290 nan 0.000 0.525 64 D N 1.025 121.647 120.400 0.370 0.000 2.117 64 D HA -0.027 4.615 4.640 0.004 0.000 0.198 64 D C 2.492 179.135 176.300 0.571 0.000 0.982 64 D CA 1.288 55.614 54.000 0.544 0.000 0.828 64 D CB -0.240 40.719 40.800 0.265 0.000 0.967 64 D HN 0.382 nan 8.370 nan 0.000 0.464 65 L N 0.213 121.711 121.223 0.459 0.000 2.089 65 L HA -0.154 4.188 4.340 0.004 0.000 0.213 65 L C 2.647 179.811 176.870 0.491 0.000 1.079 65 L CA 1.488 56.616 54.840 0.479 0.000 0.758 65 L CB -0.999 41.258 42.059 0.331 0.000 0.891 65 L HN 0.299 nan 8.230 nan 0.000 0.433 66 G N -0.287 108.802 108.800 0.481 0.000 2.469 66 G HA2 -0.354 3.608 3.960 0.004 0.000 0.220 66 G HA3 -0.354 3.608 3.960 0.004 0.000 0.220 66 G C 1.425 176.532 174.900 0.346 0.000 1.136 66 G CA 0.808 46.150 45.100 0.403 0.000 0.759 66 G HN 0.357 nan 8.290 nan 0.000 0.562 67 F N 2.546 122.647 119.950 0.251 0.000 2.134 67 F HA 0.071 4.600 4.527 0.004 0.000 0.299 67 F C 2.719 178.675 175.800 0.261 0.000 1.097 67 F CA 1.134 59.242 58.000 0.180 0.000 1.264 67 F CB -0.503 38.599 39.000 0.170 0.000 1.001 67 F HN 0.234 nan 8.300 nan 0.000 0.479 68 A N 0.907 123.877 122.820 0.249 0.000 1.865 68 A HA -0.186 4.137 4.320 0.004 0.000 0.217 68 A C 2.423 179.973 177.584 -0.058 0.000 1.191 68 A CA 1.845 53.937 52.037 0.091 0.000 0.623 68 A CB -1.373 17.772 19.000 0.242 0.000 0.826 68 A HN 0.532 nan 8.150 nan 0.000 0.444 69 L N -0.307 120.993 121.223 0.128 0.000 2.079 69 L HA -0.192 4.151 4.340 0.004 0.000 0.210 69 L C 2.837 179.659 176.870 -0.080 0.000 1.081 69 L CA 1.663 56.537 54.840 0.058 0.000 0.752 69 L CB -0.322 41.821 42.059 0.140 0.000 0.896 69 L HN 0.537 nan 8.230 nan 0.000 0.433 70 S N -0.153 115.516 115.700 -0.051 0.000 2.428 70 S HA -0.233 4.239 4.470 0.004 0.000 0.240 70 S C 1.940 176.449 174.600 -0.152 0.000 1.036 70 S CA 1.485 59.638 58.200 -0.078 0.000 1.009 70 S CB -0.568 62.620 63.200 -0.021 0.000 0.803 70 S HN 0.658 nan 8.310 nan 0.000 0.486 71 G N 1.432 110.081 108.800 -0.252 0.000 2.491 71 G HA2 -0.223 3.739 3.960 0.004 0.000 0.218 71 G HA3 -0.223 3.739 3.960 0.004 0.000 0.218 71 G C 1.282 175.941 174.900 -0.402 0.000 1.180 71 G CA 1.241 46.108 45.100 -0.389 0.000 0.774 71 G HN 0.568 nan 8.290 nan 0.000 0.562 72 I N 1.606 121.988 120.570 -0.313 0.000 2.143 72 I HA -0.261 3.911 4.170 0.004 0.000 0.245 72 I C 3.067 179.084 176.117 -0.167 0.000 1.068 72 I CA 2.007 63.159 61.300 -0.247 0.000 1.326 72 I CB -0.538 37.355 38.000 -0.178 0.000 1.028 72 I HN 0.126 nan 8.210 nan 0.000 0.412 73 S N 0.244 115.868 115.700 -0.126 0.000 2.368 73 S HA -0.076 4.396 4.470 0.004 0.000 0.224 73 S C 2.029 176.646 174.600 0.028 0.000 1.029 73 S CA 1.439 59.627 58.200 -0.020 0.000 0.988 73 S CB -0.513 62.627 63.200 -0.100 0.000 0.838 73 S HN 0.412 nan 8.310 nan 0.000 0.462 74 I N 2.209 122.757 120.570 -0.036 0.000 2.163 74 I HA -0.216 3.956 4.170 0.004 0.000 0.243 74 I C 2.788 178.958 176.117 0.089 0.000 1.085 74 I CA 1.302 62.657 61.300 0.092 0.000 1.347 74 I CB -0.725 37.350 38.000 0.125 0.000 1.044 74 I HN 0.258 nan 8.210 nan 0.000 0.408 75 A N 0.213 122.812 122.820 -0.368 0.000 1.902 75 A HA -0.264 4.059 4.320 0.004 0.000 0.217 75 A C 2.362 179.939 177.584 -0.012 0.000 1.181 75 A CA 1.490 53.290 52.037 -0.395 0.000 0.623 75 A CB -1.119 17.287 19.000 -0.989 0.000 0.818 75 A HN 0.506 nan 8.150 nan 0.000 0.443 76 Y N 1.053 121.265 120.300 -0.148 0.000 2.207 76 Y HA -0.118 4.434 4.550 0.003 0.000 0.287 76 Y C 2.423 178.256 175.900 -0.111 0.000 1.156 76 Y CA 1.152 59.185 58.100 -0.110 0.000 1.182 76 Y CB -0.747 37.691 38.460 -0.038 0.000 0.979 76 Y HN 0.247 nan 8.280 nan 0.000 0.521 77 G N -0.721 108.098 108.800 0.032 0.000 2.484 77 G HA2 -0.286 3.677 3.960 0.004 0.000 0.215 77 G HA3 -0.286 3.677 3.960 0.004 0.000 0.215 77 G C 1.411 176.124 174.900 -0.311 0.000 1.219 77 G CA 0.982 46.008 45.100 -0.123 0.000 0.791 77 G HN 0.379 nan 8.290 nan 0.000 0.550 78 F N 1.617 121.470 119.950 -0.161 0.000 2.451 78 F HA 0.008 4.537 4.527 0.003 0.000 0.299 78 F C 2.927 178.717 175.800 -0.016 0.000 1.101 78 F CA 0.864 58.874 58.000 0.016 0.000 1.436 78 F CB -0.332 38.904 39.000 0.393 0.000 1.074 78 F HN 0.241 nan 8.300 nan 0.000 0.553 79 S N 0.778 116.423 115.700 -0.091 0.000 2.363 79 S HA -0.311 4.161 4.470 0.004 0.000 0.218 79 S C 2.284 176.629 174.600 -0.426 0.000 1.035 79 S CA 1.768 59.630 58.200 -0.564 0.000 1.043 79 S CB -0.520 62.303 63.200 -0.628 0.000 0.986 79 S HN 0.395 nan 8.310 nan 0.000 0.423 80 K N -0.273 119.865 120.400 -0.437 0.000 2.286 80 K HA -0.088 4.234 4.320 0.004 0.000 0.203 80 K C 1.878 178.453 176.600 -0.041 0.000 1.045 80 K CA 1.413 57.536 56.287 -0.273 0.000 0.935 80 K CB -0.453 31.856 32.500 -0.318 0.000 0.737 80 K HN 0.627 nan 8.250 nan 0.000 0.460 81 F N 0.673 120.579 119.950 -0.073 0.000 2.192 81 F HA -0.254 4.274 4.527 0.003 0.000 0.301 81 F C 2.069 177.884 175.800 0.025 0.000 1.079 81 F CA 1.080 59.075 58.000 -0.009 0.000 1.303 81 F CB -0.036 38.991 39.000 0.044 0.000 1.024 81 F HN 0.194 nan 8.300 nan 0.000 0.494 82 I N -4.879 115.821 120.570 0.217 0.000 4.338 82 I HA -0.010 4.162 4.170 0.004 0.000 0.315 82 I C 1.912 178.088 176.117 0.098 0.000 1.262 82 I CA 0.023 61.426 61.300 0.173 0.000 1.298 82 I CB -0.265 37.895 38.000 0.267 0.000 1.257 82 I HN -0.170 nan 8.210 nan 0.000 0.444 83 M N 2.280 121.894 119.600 0.023 0.000 2.346 83 M HA -0.031 4.451 4.480 0.004 0.000 0.263 83 M C 2.223 178.513 176.300 -0.017 0.000 1.064 83 M CA 1.748 57.059 55.300 0.018 0.000 1.083 83 M CB -1.393 31.173 32.600 -0.057 0.000 1.399 83 M HN 0.564 nan 8.290 nan 0.000 0.435 84 G N 0.370 109.161 108.800 -0.016 0.000 2.499 84 G HA2 -0.241 3.721 3.960 0.004 0.000 0.221 84 G HA3 -0.241 3.721 3.960 0.004 0.000 0.221 84 G C 1.732 176.599 174.900 -0.055 0.000 1.109 84 G CA 1.549 46.630 45.100 -0.031 0.000 0.749 84 G HN 0.606 nan 8.290 nan 0.000 0.568 85 S N -0.611 115.074 115.700 -0.026 0.000 2.460 85 S HA 0.043 4.515 4.470 0.004 0.000 0.226 85 S C 2.250 176.812 174.600 -0.065 0.000 1.057 85 S CA 0.928 59.109 58.200 -0.031 0.000 0.948 85 S CB -0.261 62.947 63.200 0.013 0.000 0.822 85 S HN 0.064 nan 8.310 nan 0.000 0.512 86 V N 3.761 123.652 119.914 -0.039 0.000 2.231 86 V HA -0.243 3.879 4.120 0.004 0.000 0.250 86 V C 3.229 179.151 176.094 -0.287 0.000 1.058 86 V CA 2.472 64.743 62.300 -0.047 0.000 1.022 86 V CB -1.628 30.265 31.823 0.117 0.000 0.640 86 V HN 0.827 nan 8.190 nan 0.000 0.445 87 S N -0.112 115.238 115.700 -0.584 0.000 2.419 87 S HA -0.298 4.174 4.470 0.004 0.000 0.235 87 S C 1.704 176.053 174.600 -0.419 0.000 1.019 87 S CA 1.905 59.576 58.200 -0.883 0.000 0.982 87 S CB -0.694 61.944 63.200 -0.936 0.000 0.789 87 S HN 0.663 nan 8.310 nan 0.000 0.490 88 D N 1.261 121.502 120.400 -0.265 0.000 2.123 88 D HA -0.081 4.561 4.640 0.004 0.000 0.196 88 D C 2.347 178.586 176.300 -0.102 0.000 0.992 88 D CA 1.280 55.187 54.000 -0.155 0.000 0.833 88 D CB -0.024 40.715 40.800 -0.102 0.000 0.954 88 D HN 0.460 nan 8.370 nan 0.000 0.455 89 R N -0.108 120.338 120.500 -0.091 0.000 2.055 89 R HA 0.125 4.468 4.340 0.004 0.000 0.226 89 R C 1.083 177.368 176.300 -0.026 0.000 1.135 89 R CA 0.515 56.594 56.100 -0.035 0.000 0.959 89 R CB -0.200 30.099 30.300 -0.002 0.000 0.854 89 R HN 0.035 nan 8.270 nan 0.000 0.431 90 S N 1.063 116.729 115.700 -0.056 0.000 2.617 90 S HA 0.112 4.584 4.470 0.004 0.000 0.259 90 S C 0.098 174.690 174.600 -0.013 0.000 1.301 90 S CA -0.518 57.689 58.200 0.011 0.000 0.984 90 S CB 0.473 63.738 63.200 0.108 0.000 0.954 90 S HN 0.191 nan 8.310 nan 0.000 0.572 91 N N 1.675 120.426 118.700 0.085 0.000 2.425 91 N HA 0.256 4.998 4.740 0.004 0.000 0.268 91 N C -2.042 173.541 175.510 0.122 0.000 0.991 91 N CA -1.736 51.362 53.050 0.080 0.000 0.931 91 N CB 1.445 39.991 38.487 0.098 0.000 1.130 91 N HN 0.199 nan 8.380 nan 0.000 0.493 92 P HA -0.214 nan 4.420 nan 0.000 0.218 92 P C 1.409 178.792 177.300 0.138 0.000 1.152 92 P CA 1.277 64.420 63.100 0.073 0.000 0.857 92 P CB 0.450 32.158 31.700 0.013 0.000 0.787 93 R N -0.354 120.209 120.500 0.105 0.000 2.091 93 R HA -0.123 4.220 4.340 0.004 0.000 0.238 93 R C 1.726 178.187 176.300 0.267 0.000 1.136 93 R CA 1.716 57.857 56.100 0.069 0.000 0.959 93 R CB -0.565 29.687 30.300 -0.080 0.000 0.856 93 R HN 0.100 nan 8.270 nan 0.000 0.437 94 V N -0.270 119.855 119.914 0.353 0.000 2.492 94 V HA -0.118 4.004 4.120 0.004 0.000 0.241 94 V C 1.867 178.128 176.094 0.278 0.000 1.041 94 V CA 1.152 63.709 62.300 0.429 0.000 1.057 94 V CB -0.633 31.388 31.823 0.330 0.000 0.711 94 V HN 0.243 nan 8.190 nan 0.000 0.468 95 F N 0.446 120.464 119.950 0.113 0.000 2.192 95 F HA -0.225 4.304 4.527 0.003 0.000 0.301 95 F C 2.163 178.011 175.800 0.079 0.000 1.079 95 F CA 1.582 59.623 58.000 0.068 0.000 1.303 95 F CB 0.014 39.040 39.000 0.044 0.000 1.024 95 F HN 0.065 nan 8.300 nan 0.000 0.494 96 L N 1.069 122.488 121.223 0.326 0.000 2.007 96 L HA -0.038 4.304 4.340 0.004 0.000 0.205 96 L C -0.663 176.325 176.870 0.196 0.000 1.073 96 L CA 2.036 57.046 54.840 0.284 0.000 0.744 96 L CB -2.409 39.803 42.059 0.256 0.000 0.898 96 L HN -0.003 nan 8.230 nan 0.000 0.435 97 P HA -0.091 nan 4.420 nan 0.000 0.216 97 P C 1.663 178.916 177.300 -0.078 0.000 1.153 97 P CA 1.927 65.067 63.100 0.067 0.000 0.848 97 P CB -0.156 31.620 31.700 0.127 0.000 0.787 98 A N -0.448 122.309 122.820 -0.106 0.000 2.032 98 A HA -0.122 4.200 4.320 0.004 0.000 0.221 98 A C 2.328 179.698 177.584 -0.356 0.000 1.165 98 A CA 2.163 54.058 52.037 -0.235 0.000 0.645 98 A CB -1.688 17.171 19.000 -0.235 0.000 0.807 98 A HN 0.327 nan 8.150 nan 0.000 0.453 99 G N -0.896 107.718 108.800 -0.310 0.000 2.486 99 G HA2 0.095 4.057 3.960 0.004 0.000 0.210 99 G HA3 0.095 4.057 3.960 0.004 0.000 0.210 99 G C 1.455 176.161 174.900 -0.322 0.000 1.168 99 G CA 0.518 45.417 45.100 -0.334 0.000 0.820 99 G HN 0.392 nan 8.290 nan 0.000 0.544 100 L N 0.677 121.696 121.223 -0.339 0.000 1.929 100 L HA -0.160 4.182 4.340 0.004 0.000 0.229 100 L C 2.869 179.521 176.870 -0.364 0.000 1.086 100 L CA 1.814 56.297 54.840 -0.595 0.000 0.798 100 L CB -0.371 41.323 42.059 -0.609 0.000 0.898 100 L HN 0.220 nan 8.230 nan 0.000 0.436 101 I N -0.311 120.097 120.570 -0.269 0.000 2.290 101 I HA -0.405 3.767 4.170 0.004 0.000 0.253 101 I C 2.577 178.564 176.117 -0.216 0.000 1.112 101 I CA 1.409 62.581 61.300 -0.212 0.000 1.377 101 I CB -0.497 37.390 38.000 -0.189 0.000 1.060 101 I HN 0.480 nan 8.210 nan 0.000 0.428 102 L N 0.588 121.614 121.223 -0.328 0.000 2.042 102 L HA -0.249 4.094 4.340 0.004 0.000 0.210 102 L C 2.773 179.520 176.870 -0.205 0.000 1.076 102 L CA 1.825 56.391 54.840 -0.457 0.000 0.749 102 L CB -0.312 41.153 42.059 -0.990 0.000 0.893 102 L HN 0.307 nan 8.230 nan 0.000 0.432 103 A N -0.730 122.041 122.820 -0.082 0.000 1.855 103 A HA -0.034 4.288 4.320 0.004 0.000 0.213 103 A C 2.373 180.019 177.584 0.102 0.000 1.195 103 A CA 1.157 53.378 52.037 0.307 0.000 0.610 103 A CB -0.737 18.387 19.000 0.207 0.000 0.837 103 A HN 0.456 nan 8.150 nan 0.000 0.444 104 A N -0.158 122.634 122.820 -0.047 0.000 2.076 104 A HA 0.175 4.498 4.320 0.004 0.000 0.220 104 A C 2.329 179.919 177.584 0.011 0.000 1.160 104 A CA 1.925 53.934 52.037 -0.046 0.000 0.653 104 A CB -0.730 18.200 19.000 -0.116 0.000 0.801 104 A HN 0.944 nan 8.150 nan 0.000 0.455 105 A N -0.392 122.438 122.820 0.017 0.000 1.897 105 A HA 0.069 4.391 4.320 0.004 0.000 0.215 105 A C 2.147 179.816 177.584 0.142 0.000 1.181 105 A CA 1.499 53.563 52.037 0.045 0.000 0.620 105 A CB -0.896 18.110 19.000 0.011 0.000 0.821 105 A HN 0.476 nan 8.150 nan 0.000 0.443 106 V N -0.549 119.478 119.914 0.188 0.000 2.380 106 V HA -0.328 3.794 4.120 0.004 0.000 0.251 106 V C 2.533 178.747 176.094 0.199 0.000 1.063 106 V CA 2.315 64.759 62.300 0.240 0.000 1.055 106 V CB -0.889 31.049 31.823 0.192 0.000 0.657 106 V HN 0.553 nan 8.190 nan 0.000 0.455 107 M N -0.167 119.513 119.600 0.133 0.000 2.086 107 M HA -0.096 4.387 4.480 0.004 0.000 0.261 107 M C 1.975 178.381 176.300 0.177 0.000 1.067 107 M CA 1.698 57.063 55.300 0.109 0.000 1.116 107 M CB -0.881 31.764 32.600 0.074 0.000 1.348 107 M HN 0.227 nan 8.290 nan 0.000 0.407 108 L N -1.463 119.890 121.223 0.216 0.000 2.129 108 L HA -0.276 4.066 4.340 0.004 0.000 0.212 108 L C 2.375 179.481 176.870 0.394 0.000 1.087 108 L CA 1.341 56.369 54.840 0.313 0.000 0.757 108 L CB -0.672 41.571 42.059 0.307 0.000 0.896 108 L HN 0.328 nan 8.230 nan 0.000 0.434 109 F N -0.113 119.933 119.950 0.160 0.000 2.126 109 F HA -0.344 4.185 4.527 0.004 0.000 0.299 109 F C 2.463 178.344 175.800 0.134 0.000 1.096 109 F CA 1.311 59.400 58.000 0.149 0.000 1.255 109 F CB 0.094 39.153 39.000 0.098 0.000 0.997 109 F HN 0.033 nan 8.300 nan 0.000 0.479 110 M N -0.355 119.436 119.600 0.320 0.000 2.123 110 M HA -0.070 4.412 4.480 0.004 0.000 0.263 110 M C 2.476 178.862 176.300 0.143 0.000 1.069 110 M CA 1.536 56.927 55.300 0.151 0.000 1.133 110 M CB -1.054 31.572 32.600 0.043 0.000 1.356 110 M HN 0.235 nan 8.290 nan 0.000 0.415 111 G N -0.720 108.126 108.800 0.077 0.000 2.501 111 G HA2 -0.184 3.778 3.960 0.004 0.000 0.220 111 G HA3 -0.184 3.778 3.960 0.004 0.000 0.220 111 G C 1.104 175.848 174.900 -0.261 0.000 1.114 111 G CA 0.804 45.853 45.100 -0.085 0.000 0.757 111 G HN 0.392 nan 8.290 nan 0.000 0.559 112 F N -0.934 119.148 119.950 0.220 0.000 2.637 112 F HA 0.294 4.823 4.527 0.003 0.000 0.284 112 F C 0.634 176.550 175.800 0.193 0.000 1.105 112 F CA -0.291 57.803 58.000 0.156 0.000 1.356 112 F CB 0.869 39.905 39.000 0.060 0.000 1.096 112 F HN -0.205 nan 8.300 nan 0.000 0.616 113 V N 2.818 122.989 119.914 0.427 0.000 2.320 113 V HA 0.144 4.266 4.120 0.004 0.000 0.265 113 V C -1.583 174.726 176.094 0.358 0.000 1.048 113 V CA -1.499 61.044 62.300 0.405 0.000 0.865 113 V CB 0.799 32.937 31.823 0.526 0.000 1.043 113 V HN -0.071 nan 8.190 nan 0.000 0.474 114 P HA -0.245 nan 4.420 nan 0.000 0.214 114 P C 1.525 178.994 177.300 0.282 0.000 1.164 114 P CA 1.798 65.073 63.100 0.291 0.000 0.942 114 P CB -0.035 31.825 31.700 0.266 0.000 0.791 115 W N 0.636 122.049 121.300 0.189 0.000 2.277 115 W HA -0.342 4.319 4.660 0.002 0.000 0.327 115 W C 2.367 178.987 176.519 0.169 0.000 1.284 115 W CA 2.886 60.334 57.345 0.171 0.000 1.277 115 W CB -1.419 28.136 29.460 0.158 0.000 1.141 115 W HN -0.045 nan 8.180 nan 0.000 0.482 116 A N -0.786 121.907 122.820 -0.212 0.000 1.908 116 A HA -0.257 4.066 4.320 0.004 0.000 0.218 116 A C 2.059 179.433 177.584 -0.350 0.000 1.181 116 A CA 2.959 54.637 52.037 -0.598 0.000 0.627 116 A CB -1.607 17.295 19.000 -0.163 0.000 0.818 116 A HN 0.466 nan 8.150 nan 0.000 0.445 117 T N -1.149 113.377 114.554 -0.047 0.000 2.894 117 T HA 0.033 4.385 4.350 0.004 0.000 0.258 117 T C 0.714 175.481 174.700 0.113 0.000 1.043 117 T CA 1.325 63.463 62.100 0.063 0.000 1.141 117 T CB -0.268 68.723 68.868 0.204 0.000 0.873 117 T HN 0.289 nan 8.240 nan 0.000 0.449 118 S N 1.430 117.197 115.700 0.112 0.000 2.665 118 S HA 0.507 4.979 4.470 0.004 0.000 0.230 118 S C 0.374 175.259 174.600 0.475 0.000 1.326 118 S CA -0.548 57.782 58.200 0.217 0.000 1.055 118 S CB 0.938 64.069 63.200 -0.115 0.000 1.178 118 S HN 0.318 nan 8.310 nan 0.000 0.489 119 S N 1.970 117.896 115.700 0.377 0.000 2.679 119 S HA 0.362 4.834 4.470 0.004 0.000 0.258 119 S C 0.338 174.991 174.600 0.088 0.000 1.068 119 S CA -0.289 58.017 58.200 0.177 0.000 1.115 119 S CB -0.197 62.996 63.200 -0.013 0.000 1.078 119 S HN 0.695 nan 8.310 nan 0.000 0.603 120 I N 1.537 122.201 120.570 0.157 0.000 6.681 120 I HA -0.255 3.917 4.170 0.004 0.000 0.126 120 I C 0.344 176.541 176.117 0.134 0.000 1.829 120 I CA 0.220 61.578 61.300 0.097 0.000 2.038 120 I CB -1.746 36.208 38.000 -0.076 0.000 3.527 120 I HN 0.500 nan 8.210 nan 0.000 0.169 121 A N 1.822 124.754 122.820 0.186 0.000 3.335 121 A HA -0.158 4.164 4.320 0.004 0.000 0.228 121 A C 0.944 178.613 177.584 0.143 0.000 1.322 121 A CA 0.942 53.104 52.037 0.209 0.000 1.050 121 A CB -1.643 17.500 19.000 0.239 0.000 1.126 121 A HN 1.323 nan 8.150 nan 0.000 0.793 122 V N 0.083 120.017 119.914 0.032 0.000 2.535 122 V HA -0.134 3.988 4.120 0.004 0.000 0.246 122 V C 2.178 178.194 176.094 -0.130 0.000 1.045 122 V CA 2.630 64.879 62.300 -0.086 0.000 1.058 122 V CB -0.361 31.281 31.823 -0.302 0.000 0.689 122 V HN 0.673 nan 8.190 nan 0.000 0.461 123 M N -0.506 119.030 119.600 -0.108 0.000 2.117 123 M HA -0.102 4.380 4.480 0.004 0.000 0.262 123 M C 2.112 178.280 176.300 -0.220 0.000 1.065 123 M CA 2.517 57.690 55.300 -0.210 0.000 1.114 123 M CB -0.867 31.622 32.600 -0.184 0.000 1.361 123 M HN 0.487 nan 8.290 nan 0.000 0.408 124 F N 2.077 121.904 119.950 -0.205 0.000 2.027 124 F HA -0.276 4.254 4.527 0.005 0.000 0.297 124 F C 2.079 177.786 175.800 -0.155 0.000 1.129 124 F CA 2.385 60.258 58.000 -0.212 0.000 1.195 124 F CB -0.699 38.207 39.000 -0.158 0.000 0.960 124 F HN -0.090 nan 8.300 nan 0.000 0.485 125 V N 1.046 120.926 119.914 -0.058 0.000 2.287 125 V HA -0.319 3.803 4.120 0.004 0.000 0.248 125 V C 2.579 178.529 176.094 -0.241 0.000 1.053 125 V CA 2.135 64.328 62.300 -0.179 0.000 1.027 125 V CB -1.256 30.568 31.823 0.002 0.000 0.646 125 V HN 0.518 nan 8.190 nan 0.000 0.447 126 L N -0.900 120.164 121.223 -0.266 0.000 1.994 126 L HA -0.155 4.187 4.340 0.004 0.000 0.208 126 L C 2.596 179.305 176.870 -0.269 0.000 1.071 126 L CA 1.209 55.870 54.840 -0.298 0.000 0.745 126 L CB -0.655 41.167 42.059 -0.395 0.000 0.892 126 L HN 0.296 nan 8.230 nan 0.000 0.431 127 L N -0.547 120.479 121.223 -0.329 0.000 2.043 127 L HA -0.268 4.075 4.340 0.004 0.000 0.212 127 L C 2.408 179.091 176.870 -0.312 0.000 1.075 127 L CA 1.771 56.404 54.840 -0.346 0.000 0.752 127 L CB -1.109 40.665 42.059 -0.474 0.000 0.891 127 L HN 0.133 nan 8.230 nan 0.000 0.432 128 F N -0.430 119.206 119.950 -0.524 0.000 2.154 128 F HA -0.255 4.275 4.527 0.005 0.000 0.301 128 F C 2.214 177.824 175.800 -0.317 0.000 1.087 128 F CA 1.423 59.119 58.000 -0.507 0.000 1.274 128 F CB -0.198 38.358 39.000 -0.740 0.000 1.009 128 F HN 0.035 nan 8.300 nan 0.000 0.485 129 L N -1.244 119.932 121.223 -0.080 0.000 2.056 129 L HA -0.251 4.091 4.340 0.004 0.000 0.207 129 L C 2.843 179.525 176.870 -0.314 0.000 1.078 129 L CA 1.204 55.904 54.840 -0.234 0.000 0.749 129 L CB -1.181 40.656 42.059 -0.370 0.000 0.901 129 L HN 0.361 nan 8.230 nan 0.000 0.433 130 C N 0.722 119.894 119.300 -0.214 0.000 2.385 130 C HA -0.195 4.268 4.460 0.004 0.000 0.275 130 C C 2.914 177.872 174.990 -0.054 0.000 1.207 130 C CA 1.237 60.196 59.018 -0.098 0.000 1.760 130 C CB -1.273 26.404 27.740 -0.106 0.000 2.051 130 C HN 0.667 nan 8.230 nan 0.000 0.467 131 G N -0.967 107.741 108.800 -0.153 0.000 2.446 131 G HA2 -0.293 3.669 3.960 0.004 0.000 0.217 131 G HA3 -0.293 3.669 3.960 0.004 0.000 0.217 131 G C 1.658 176.576 174.900 0.029 0.000 1.168 131 G CA 0.905 45.940 45.100 -0.107 0.000 0.771 131 G HN 0.785 nan 8.290 nan 0.000 0.551 132 W N 0.793 121.966 121.300 -0.211 0.000 2.338 132 W HA -0.069 4.594 4.660 0.005 0.000 0.304 132 W C 2.236 178.842 176.519 0.145 0.000 1.212 132 W CA 1.138 58.444 57.345 -0.066 0.000 1.264 132 W CB -0.487 28.907 29.460 -0.111 0.000 1.142 132 W HN 0.311 nan 8.180 nan 0.000 0.512 133 F N 0.442 120.506 119.950 0.190 0.000 2.186 133 F HA -0.257 4.273 4.527 0.004 0.000 0.299 133 F C 2.608 178.484 175.800 0.128 0.000 1.090 133 F CA 1.057 59.123 58.000 0.111 0.000 1.307 133 F CB -0.620 38.429 39.000 0.083 0.000 1.019 133 F HN -0.094 nan 8.300 nan 0.000 0.489 134 Q N 0.801 120.805 119.800 0.341 0.000 2.181 134 Q HA -0.123 4.219 4.340 0.004 0.000 0.205 134 Q C 2.256 178.493 176.000 0.395 0.000 0.980 134 Q CA 1.600 57.628 55.803 0.375 0.000 0.862 134 Q CB -0.728 28.137 28.738 0.213 0.000 0.905 134 Q HN 0.377 nan 8.270 nan 0.000 0.429 135 G N 0.871 109.816 108.800 0.242 0.000 2.491 135 G HA2 -0.343 3.619 3.960 0.004 0.000 0.218 135 G HA3 -0.343 3.619 3.960 0.004 0.000 0.218 135 G C 1.391 176.331 174.900 0.066 0.000 1.180 135 G CA 1.549 46.647 45.100 -0.002 0.000 0.774 135 G HN 0.578 nan 8.290 nan 0.000 0.562 136 M N 0.262 119.936 119.600 0.123 0.000 2.082 136 M HA 0.060 4.542 4.480 0.004 0.000 0.258 136 M C 2.605 179.072 176.300 0.278 0.000 1.069 136 M CA 2.002 57.474 55.300 0.287 0.000 1.102 136 M CB -1.565 31.122 32.600 0.145 0.000 1.336 136 M HN 0.118 nan 8.290 nan 0.000 0.404 137 G N 0.239 109.154 108.800 0.191 0.000 2.728 137 G HA2 -0.319 3.643 3.960 0.004 0.000 0.224 137 G HA3 -0.319 3.643 3.960 0.004 0.000 0.224 137 G C 1.110 175.936 174.900 -0.122 0.000 1.139 137 G CA 1.740 46.664 45.100 -0.293 0.000 0.761 137 G HN 0.804 nan 8.290 nan 0.000 0.621 138 W N 2.337 123.572 121.300 -0.107 0.000 2.525 138 W HA 0.149 4.811 4.660 0.003 0.000 0.288 138 W C -0.262 176.092 176.519 -0.276 0.000 1.200 138 W CA 1.415 58.590 57.345 -0.284 0.000 1.349 138 W CB -0.472 28.831 29.460 -0.262 0.000 1.102 138 W HN 0.223 nan 8.180 nan 0.000 0.558 139 P HA -0.115 nan 4.420 nan 0.000 0.220 139 P C -1.474 175.393 177.300 -0.722 0.000 1.148 139 P CA 1.937 64.515 63.100 -0.869 0.000 0.803 139 P CB -1.120 30.357 31.700 -0.372 0.000 0.782 140 P HA -0.048 nan 4.420 nan 0.000 0.220 140 P C 1.983 179.045 177.300 -0.397 0.000 1.152 140 P CA 0.724 63.609 63.100 -0.358 0.000 0.812 140 P CB -0.589 31.037 31.700 -0.123 0.000 0.792 141 C N 0.138 119.138 119.300 -0.499 0.000 2.401 141 C HA -0.023 4.439 4.460 0.004 0.000 0.286 141 C C 2.899 177.501 174.990 -0.646 0.000 1.332 141 C CA 1.553 60.266 59.018 -0.508 0.000 1.795 141 C CB -2.130 25.220 27.740 -0.649 0.000 1.922 141 C HN 0.277 nan 8.230 nan 0.000 0.520 142 G N -0.750 107.471 108.800 -0.964 0.000 2.417 142 G HA2 -0.088 3.875 3.960 0.004 0.000 0.212 142 G HA3 -0.088 3.875 3.960 0.004 0.000 0.212 142 G C 1.777 176.386 174.900 -0.486 0.000 1.187 142 G CA 0.433 45.024 45.100 -0.848 0.000 0.804 142 G HN 0.584 nan 8.290 nan 0.000 0.534 143 R N -0.107 120.121 120.500 -0.454 0.000 2.117 143 R HA -0.094 4.249 4.340 0.004 0.000 0.243 143 R C 2.658 178.726 176.300 -0.386 0.000 1.143 143 R CA 1.923 57.800 56.100 -0.371 0.000 0.968 143 R CB -0.393 29.740 30.300 -0.280 0.000 0.863 143 R HN 0.346 nan 8.270 nan 0.000 0.444 144 T N 0.882 115.301 114.554 -0.226 0.000 2.614 144 T HA -0.166 4.186 4.350 0.004 0.000 0.263 144 T C 1.751 176.452 174.700 0.000 0.000 1.055 144 T CA 1.664 63.733 62.100 -0.051 0.000 1.162 144 T CB -0.144 68.744 68.868 0.034 0.000 0.863 144 T HN 0.244 nan 8.240 nan 0.000 0.414 145 M N 1.095 120.677 119.600 -0.030 0.000 2.419 145 M HA -0.105 4.377 4.480 0.004 0.000 0.260 145 M C 2.182 178.502 176.300 0.034 0.000 1.073 145 M CA 1.018 56.335 55.300 0.029 0.000 1.056 145 M CB -0.767 31.764 32.600 -0.116 0.000 1.394 145 M HN 0.140 nan 8.290 nan 0.000 0.444 146 V N -1.243 118.582 119.914 -0.147 0.000 2.719 146 V HA -0.187 3.935 4.120 0.004 0.000 0.252 146 V C 1.623 177.680 176.094 -0.060 0.000 1.065 146 V CA 1.335 63.527 62.300 -0.181 0.000 1.086 146 V CB -0.896 30.694 31.823 -0.389 0.000 0.700 146 V HN 0.428 nan 8.190 nan 0.000 0.467 147 H N -2.909 116.230 119.070 0.115 0.000 2.524 147 H HA 0.073 4.632 4.556 0.004 0.000 0.280 147 H C 1.282 176.681 175.328 0.119 0.000 1.018 147 H CA -0.706 55.400 56.048 0.096 0.000 1.165 147 H CB -0.102 29.685 29.762 0.042 0.000 1.411 147 H HN 0.482 nan 8.280 nan 0.000 0.569 148 W N 1.023 122.394 121.300 0.119 0.000 2.443 148 W HA 0.011 4.673 4.660 0.004 0.000 0.315 148 W C 0.103 176.753 176.519 0.219 0.000 1.104 148 W CA 1.367 58.781 57.345 0.115 0.000 1.299 148 W CB 0.272 29.836 29.460 0.173 0.000 1.228 148 W HN 0.185 nan 8.180 nan 0.000 0.458 149 W N -0.662 120.787 121.300 0.249 0.000 4.316 149 W HA 0.382 5.044 4.660 0.003 0.000 0.283 149 W C -0.900 175.672 176.519 0.089 0.000 1.252 149 W CA -2.185 55.222 57.345 0.104 0.000 1.358 149 W CB -0.862 28.615 29.460 0.028 0.000 1.144 149 W HN -0.099 nan 8.180 nan 0.000 0.466 150 S N 3.287 119.065 115.700 0.131 0.000 2.554 150 S HA 0.006 4.478 4.470 0.004 0.000 0.290 150 S C 1.145 175.656 174.600 -0.149 0.000 1.309 150 S CA 2.043 60.238 58.200 -0.008 0.000 1.047 150 S CB 0.450 63.655 63.200 0.007 0.000 0.828 150 S HN 0.835 nan 8.310 nan 0.000 0.509 151 Q N 1.007 120.718 119.800 -0.149 0.000 2.465 151 Q HA -0.188 4.154 4.340 0.004 0.000 0.248 151 Q C -0.209 175.605 176.000 -0.310 0.000 0.819 151 Q CA 1.518 57.208 55.803 -0.189 0.000 1.219 151 Q CB -0.895 27.743 28.738 -0.168 0.000 1.472 151 Q HN 0.830 nan 8.270 nan 0.000 0.630 152 K N -0.491 119.680 120.400 -0.381 0.000 2.443 152 K HA 0.159 4.481 4.320 0.004 0.000 0.200 152 K C 1.420 177.883 176.600 -0.228 0.000 1.278 152 K CA 0.668 56.677 56.287 -0.463 0.000 0.925 152 K CB -0.158 31.688 32.500 -1.091 0.000 1.225 152 K HN 0.234 nan 8.250 nan 0.000 0.514 153 E N 1.599 121.710 120.200 -0.149 0.000 2.164 153 E HA -0.251 4.102 4.350 0.004 0.000 0.206 153 E C 1.859 178.390 176.600 -0.115 0.000 1.032 153 E CA 1.669 57.999 56.400 -0.116 0.000 0.832 153 E CB -0.195 29.479 29.700 -0.045 0.000 0.742 153 E HN 0.123 nan 8.360 nan 0.000 0.460 154 R N -0.262 120.185 120.500 -0.088 0.000 2.133 154 R HA -0.171 4.171 4.340 0.004 0.000 0.247 154 R C 2.359 178.622 176.300 -0.062 0.000 1.151 154 R CA 1.541 57.611 56.100 -0.051 0.000 0.971 154 R CB -0.728 29.537 30.300 -0.059 0.000 0.866 154 R HN 0.323 nan 8.270 nan 0.000 0.447 155 G N -0.925 107.804 108.800 -0.117 0.000 2.395 155 G HA2 -0.135 3.827 3.960 0.004 0.000 0.214 155 G HA3 -0.135 3.827 3.960 0.004 0.000 0.214 155 G C 1.583 176.359 174.900 -0.207 0.000 1.177 155 G CA 0.553 45.574 45.100 -0.132 0.000 0.794 155 G HN 0.457 nan 8.290 nan 0.000 0.532 156 G N 1.205 109.786 108.800 -0.364 0.000 2.442 156 G HA2 -0.192 3.770 3.960 0.004 0.000 0.219 156 G HA3 -0.192 3.770 3.960 0.004 0.000 0.219 156 G C 1.664 176.400 174.900 -0.272 0.000 1.141 156 G CA 1.026 45.790 45.100 -0.561 0.000 0.763 156 G HN 0.356 nan 8.290 nan 0.000 0.554 157 I N 0.585 121.081 120.570 -0.122 0.000 2.233 157 I HA -0.084 4.088 4.170 0.004 0.000 0.243 157 I C 2.907 179.167 176.117 0.238 0.000 1.093 157 I CA 0.538 61.876 61.300 0.063 0.000 1.380 157 I CB -1.335 36.790 38.000 0.208 0.000 1.067 157 I HN 0.021 nan 8.210 nan 0.000 0.413 158 V N 1.084 121.094 119.914 0.159 0.000 2.242 158 V HA -0.416 3.706 4.120 0.004 0.000 0.257 158 V C 2.845 179.048 176.094 0.182 0.000 1.073 158 V CA 2.665 65.051 62.300 0.143 0.000 1.058 158 V CB -1.083 30.763 31.823 0.038 0.000 0.664 158 V HN 0.475 nan 8.190 nan 0.000 0.451 159 S N -1.085 114.683 115.700 0.114 0.000 2.368 159 S HA -0.169 4.303 4.470 0.004 0.000 0.225 159 S C 1.893 176.648 174.600 0.259 0.000 1.030 159 S CA 1.881 60.166 58.200 0.143 0.000 0.999 159 S CB -0.230 63.016 63.200 0.076 0.000 0.844 159 S HN 0.341 nan 8.310 nan 0.000 0.459 160 V N 0.449 120.515 119.914 0.252 0.000 2.295 160 V HA -0.167 3.955 4.120 0.004 0.000 0.246 160 V C 2.073 178.307 176.094 0.234 0.000 1.049 160 V CA 1.905 64.362 62.300 0.261 0.000 1.024 160 V CB -1.006 30.872 31.823 0.092 0.000 0.648 160 V HN 0.635 nan 8.190 nan 0.000 0.447 161 W N 0.890 122.259 121.300 0.114 0.000 2.332 161 W HA -0.148 4.514 4.660 0.003 0.000 0.321 161 W C 2.494 179.081 176.519 0.113 0.000 1.219 161 W CA 1.460 58.866 57.345 0.102 0.000 1.277 161 W CB -1.140 28.362 29.460 0.070 0.000 1.161 161 W HN 0.232 nan 8.180 nan 0.000 0.476 162 N N -0.565 118.359 118.700 0.374 0.000 2.309 162 N HA -0.101 4.641 4.740 0.004 0.000 0.182 162 N C 1.386 176.893 175.510 -0.005 0.000 1.018 162 N CA 1.677 54.824 53.050 0.163 0.000 0.876 162 N CB -0.862 37.750 38.487 0.207 0.000 0.972 162 N HN 0.237 nan 8.380 nan 0.000 0.434 163 C N 0.387 119.751 119.300 0.107 0.000 2.525 163 C HA 0.360 4.822 4.460 0.004 0.000 0.291 163 C C 2.916 177.929 174.990 0.039 0.000 1.351 163 C CA -0.142 58.922 59.018 0.077 0.000 1.771 163 C CB -0.819 27.064 27.740 0.239 0.000 2.177 163 C HN 0.424 nan 8.230 nan 0.000 0.510 164 A N 0.818 123.689 122.820 0.084 0.000 1.908 164 A HA -0.287 4.035 4.320 0.004 0.000 0.218 164 A C 2.095 179.731 177.584 0.085 0.000 1.181 164 A CA 2.252 54.287 52.037 -0.003 0.000 0.627 164 A CB -1.000 18.123 19.000 0.205 0.000 0.818 164 A HN 0.724 nan 8.150 nan 0.000 0.445 165 H N 0.606 119.581 119.070 -0.158 0.000 2.457 165 H HA -0.022 4.536 4.556 0.004 0.000 0.294 165 H C 1.535 176.657 175.328 -0.344 0.000 1.064 165 H CA 1.578 57.311 56.048 -0.526 0.000 1.330 165 H CB -0.100 29.293 29.762 -0.616 0.000 1.395 165 H HN 0.499 nan 8.280 nan 0.000 0.541 166 N N -0.075 118.597 118.700 -0.045 0.000 2.278 166 N HA -0.077 4.665 4.740 0.004 0.000 0.181 166 N C 2.175 177.614 175.510 -0.120 0.000 1.023 166 N CA 1.127 54.114 53.050 -0.106 0.000 0.862 166 N CB -0.251 38.060 38.487 -0.293 0.000 1.003 166 N HN 0.161 nan 8.380 nan 0.000 0.431 167 V N 0.943 120.735 119.914 -0.204 0.000 2.469 167 V HA -0.138 3.984 4.120 0.004 0.000 0.251 167 V C 2.321 178.527 176.094 0.186 0.000 1.064 167 V CA 2.112 64.308 62.300 -0.174 0.000 1.066 167 V CB -1.144 30.633 31.823 -0.077 0.000 0.667 167 V HN 0.373 nan 8.190 nan 0.000 0.461 168 G N -0.378 108.505 108.800 0.139 0.000 2.576 168 G HA2 0.100 4.062 3.960 0.004 0.000 0.210 168 G HA3 0.100 4.062 3.960 0.004 0.000 0.210 168 G C 1.529 176.570 174.900 0.235 0.000 1.143 168 G CA 0.592 45.802 45.100 0.183 0.000 0.819 168 G HN 0.556 nan 8.290 nan 0.000 0.534 169 G N 0.561 109.518 108.800 0.261 0.000 2.534 169 G HA2 0.196 4.158 3.960 0.004 0.000 0.217 169 G HA3 0.196 4.158 3.960 0.004 0.000 0.217 169 G C 1.469 176.560 174.900 0.318 0.000 1.128 169 G CA 1.170 46.434 45.100 0.274 0.000 0.784 169 G HN 0.542 nan 8.290 nan 0.000 0.542 170 G N 0.138 109.174 108.800 0.393 0.000 2.939 170 G HA2 0.142 4.104 3.960 0.004 0.000 0.210 170 G HA3 0.142 4.104 3.960 0.004 0.000 0.210 170 G C 1.469 176.566 174.900 0.328 0.000 1.160 170 G CA -0.092 45.267 45.100 0.433 0.000 0.770 170 G HN 0.419 nan 8.290 nan 0.000 0.543 171 I N 1.246 121.955 120.570 0.232 0.000 2.584 171 I HA -0.000 4.172 4.170 0.004 0.000 0.255 171 I C -0.185 175.883 176.117 -0.081 0.000 1.145 171 I CA 0.306 61.632 61.300 0.043 0.000 1.462 171 I CB -0.393 37.651 38.000 0.072 0.000 1.102 171 I HN 0.034 nan 8.210 nan 0.000 0.433 172 P HA -0.153 nan 4.420 nan 0.000 0.216 172 P C -1.348 175.857 177.300 -0.158 0.000 1.153 172 P CA 2.020 65.056 63.100 -0.105 0.000 0.858 172 P CB -1.497 30.155 31.700 -0.079 0.000 0.789 173 P HA -0.088 nan 4.420 nan 0.000 0.220 173 P C 2.002 179.183 177.300 -0.198 0.000 1.148 173 P CA 1.027 63.954 63.100 -0.287 0.000 0.803 173 P CB -0.374 31.027 31.700 -0.498 0.000 0.782 174 L N -0.971 120.082 121.223 -0.283 0.000 2.046 174 L HA -0.135 4.207 4.340 0.004 0.000 0.208 174 L C 2.795 179.495 176.870 -0.284 0.000 1.077 174 L CA 1.385 55.984 54.840 -0.401 0.000 0.747 174 L CB -0.769 40.950 42.059 -0.567 0.000 0.896 174 L HN -0.048 nan 8.230 nan 0.000 0.432 175 L N -1.656 119.440 121.223 -0.212 0.000 2.044 175 L HA -0.232 4.111 4.340 0.004 0.000 0.205 175 L C 2.504 179.257 176.870 -0.195 0.000 1.075 175 L CA 1.229 55.943 54.840 -0.211 0.000 0.747 175 L CB -0.614 41.348 42.059 -0.162 0.000 0.903 175 L HN 0.106 nan 8.230 nan 0.000 0.435 176 F N 0.291 120.083 119.950 -0.263 0.000 2.091 176 F HA -0.316 4.213 4.527 0.003 0.000 0.299 176 F C 2.453 178.108 175.800 -0.243 0.000 1.103 176 F CA 1.283 59.124 58.000 -0.265 0.000 1.228 176 F CB -0.023 38.858 39.000 -0.199 0.000 0.984 176 F HN -0.028 nan 8.300 nan 0.000 0.477 177 L N 0.278 121.576 121.223 0.124 0.000 2.043 177 L HA -0.237 4.105 4.340 0.004 0.000 0.212 177 L C 2.217 179.044 176.870 -0.072 0.000 1.075 177 L CA 1.937 56.811 54.840 0.057 0.000 0.752 177 L CB -1.143 40.916 42.059 0.000 0.000 0.891 177 L HN 0.371 nan 8.230 nan 0.000 0.432 178 L N 0.516 121.605 121.223 -0.223 0.000 2.068 178 L HA 0.081 4.423 4.340 0.004 0.000 0.204 178 L C 2.412 178.888 176.870 -0.657 0.000 1.076 178 L CA 1.909 56.487 54.840 -0.436 0.000 0.753 178 L CB -1.303 40.434 42.059 -0.537 0.000 0.910 178 L HN 0.244 nan 8.230 nan 0.000 0.439 179 G N -0.630 107.831 108.800 -0.565 0.000 2.653 179 G HA2 -0.214 3.748 3.960 0.004 0.000 0.212 179 G HA3 -0.214 3.748 3.960 0.004 0.000 0.212 179 G C 1.450 176.175 174.900 -0.292 0.000 1.138 179 G CA 0.561 45.376 45.100 -0.476 0.000 0.782 179 G HN 0.266 nan 8.290 nan 0.000 0.535 180 M N 0.897 120.346 119.600 -0.252 0.000 2.099 180 M HA 0.050 4.532 4.480 0.004 0.000 0.262 180 M C 2.917 179.200 176.300 -0.029 0.000 1.067 180 M CA 1.478 56.708 55.300 -0.116 0.000 1.124 180 M CB -0.862 31.729 32.600 -0.015 0.000 1.353 180 M HN 0.323 nan 8.290 nan 0.000 0.410 181 A N -0.759 122.047 122.820 -0.023 0.000 1.898 181 A HA -0.178 4.144 4.320 0.004 0.000 0.216 181 A C 1.708 179.466 177.584 0.289 0.000 1.181 181 A CA 1.335 53.441 52.037 0.116 0.000 0.620 181 A CB -0.925 18.172 19.000 0.162 0.000 0.819 181 A HN 0.625 nan 8.150 nan 0.000 0.442 182 W N -2.083 119.239 121.300 0.038 0.000 2.523 182 W HA 0.244 4.906 4.660 0.004 0.000 0.278 182 W C 0.451 176.934 176.519 -0.060 0.000 1.236 182 W CA -0.045 57.326 57.345 0.043 0.000 1.306 182 W CB -0.911 28.667 29.460 0.197 0.000 1.101 182 W HN 0.271 nan 8.180 nan 0.000 0.577 183 F N 2.565 122.598 119.950 0.138 0.000 2.879 183 F HA 0.127 4.656 4.527 0.003 0.000 0.354 183 F C 1.489 177.265 175.800 -0.040 0.000 1.291 183 F CA -1.059 56.975 58.000 0.057 0.000 1.238 183 F CB -0.912 38.156 39.000 0.113 0.000 1.005 183 F HN -0.141 nan 8.300 nan 0.000 0.508 184 N N 0.089 118.790 118.700 0.001 0.000 2.259 184 N HA -0.353 4.389 4.740 0.004 0.000 0.173 184 N C 0.541 175.954 175.510 -0.162 0.000 0.764 184 N CA 1.845 54.841 53.050 -0.090 0.000 0.912 184 N CB -1.321 37.084 38.487 -0.137 0.000 1.003 184 N HN 0.539 nan 8.380 nan 0.000 1.021 185 D N 0.230 120.561 120.400 -0.115 0.000 2.531 185 D HA -0.032 4.610 4.640 0.004 0.000 0.239 185 D C 1.156 177.415 176.300 -0.069 0.000 1.144 185 D CA 0.248 54.164 54.000 -0.140 0.000 0.869 185 D CB 0.279 41.089 40.800 0.017 0.000 1.160 185 D HN 0.441 nan 8.370 nan 0.000 0.484 186 W N 3.512 124.779 121.300 -0.055 0.000 2.644 186 W HA 0.072 4.734 4.660 0.003 0.000 0.279 186 W C 1.996 178.476 176.519 -0.064 0.000 1.164 186 W CA 0.963 58.238 57.345 -0.117 0.000 1.457 186 W CB -1.727 27.691 29.460 -0.070 0.000 1.087 186 W HN 0.701 nan 8.180 nan 0.000 0.573 187 H N 1.969 121.406 119.070 0.611 0.000 2.431 187 H HA 0.008 4.567 4.556 0.004 0.000 0.297 187 H C 0.381 175.824 175.328 0.192 0.000 1.115 187 H CA 2.308 58.526 56.048 0.283 0.000 1.277 187 H CB -0.351 29.551 29.762 0.232 0.000 1.372 187 H HN 0.114 nan 8.280 nan 0.000 0.516 188 A N -0.497 122.031 122.820 -0.487 0.000 3.266 188 A HA 0.737 5.059 4.320 0.004 0.000 0.310 188 A C 0.541 177.763 177.584 -0.603 0.000 1.066 188 A CA -0.059 51.652 52.037 -0.544 0.000 0.839 188 A CB -0.048 18.478 19.000 -0.789 0.000 1.192 188 A HN 0.636 nan 8.150 nan 0.000 0.496 189 A N 0.896 123.185 122.820 -0.884 0.000 2.503 189 A HA 0.369 4.691 4.320 0.004 0.000 0.263 189 A C 1.367 177.894 177.584 -1.762 0.000 1.258 189 A CA 0.447 51.320 52.037 -1.940 0.000 0.936 189 A CB -0.551 17.294 19.000 -1.925 0.000 1.070 189 A HN 1.312 nan 8.150 nan 0.000 0.522 190 L N -2.172 118.705 121.223 -0.577 0.000 2.549 190 L HA -0.078 4.264 4.340 0.004 0.000 0.229 190 L C 1.961 178.722 176.870 -0.181 0.000 1.158 190 L CA 1.568 56.400 54.840 -0.014 0.000 0.842 190 L CB -1.116 41.040 42.059 0.163 0.000 0.952 190 L HN 0.615 nan 8.230 nan 0.000 0.452 191 Y N -1.779 118.366 120.300 -0.258 0.000 2.337 191 Y HA 0.029 4.581 4.550 0.003 0.000 0.293 191 Y C 2.565 178.377 175.900 -0.146 0.000 1.123 191 Y CA 0.635 58.597 58.100 -0.229 0.000 1.201 191 Y CB -0.431 37.716 38.460 -0.521 0.000 1.011 191 Y HN 0.068 nan 8.280 nan 0.000 0.545 192 M N 1.569 121.147 119.600 -0.037 0.000 2.117 192 M HA -0.050 4.432 4.480 0.004 0.000 0.262 192 M C -1.105 175.204 176.300 0.015 0.000 1.065 192 M CA 1.702 56.977 55.300 -0.041 0.000 1.114 192 M CB -0.780 31.615 32.600 -0.342 0.000 1.361 192 M HN 0.130 nan 8.290 nan 0.000 0.408 193 P HA -0.088 nan 4.420 nan 0.000 0.216 193 P C 1.057 178.389 177.300 0.053 0.000 1.153 193 P CA 2.077 65.177 63.100 -0.001 0.000 0.848 193 P CB -0.222 31.471 31.700 -0.012 0.000 0.787 194 A N -1.494 121.376 122.820 0.082 0.000 1.978 194 A HA -0.219 4.103 4.320 0.004 0.000 0.220 194 A C 2.049 179.704 177.584 0.118 0.000 1.170 194 A CA 1.352 53.441 52.037 0.086 0.000 0.636 194 A CB -1.863 17.204 19.000 0.111 0.000 0.810 194 A HN 0.065 nan 8.150 nan 0.000 0.448 195 F N 0.281 120.241 119.950 0.018 0.000 2.091 195 F HA -0.284 4.245 4.527 0.003 0.000 0.299 195 F C 2.837 178.633 175.800 -0.007 0.000 1.103 195 F CA 1.723 59.730 58.000 0.012 0.000 1.228 195 F CB -0.581 38.422 39.000 0.006 0.000 0.984 195 F HN 0.496 nan 8.300 nan 0.000 0.477 196 C N -0.135 119.258 119.300 0.155 0.000 2.464 196 C HA 0.202 4.664 4.460 0.004 0.000 0.278 196 C C 2.906 177.899 174.990 0.004 0.000 1.375 196 C CA 0.584 59.642 59.018 0.067 0.000 1.761 196 C CB -1.689 26.090 27.740 0.065 0.000 1.944 196 C HN 0.450 nan 8.230 nan 0.000 0.509 197 A N 2.427 125.241 122.820 -0.010 0.000 1.917 197 A HA -0.114 4.208 4.320 0.004 0.000 0.219 197 A C 2.078 179.620 177.584 -0.069 0.000 1.182 197 A CA 2.338 54.346 52.037 -0.048 0.000 0.633 197 A CB -0.885 18.070 19.000 -0.075 0.000 0.819 197 A HN 0.958 nan 8.150 nan 0.000 0.448 198 I N -1.319 119.196 120.570 -0.091 0.000 2.208 198 I HA -0.254 3.918 4.170 0.004 0.000 0.245 198 I C 2.073 178.151 176.117 -0.065 0.000 1.097 198 I CA 1.589 62.823 61.300 -0.110 0.000 1.363 198 I CB -0.883 37.017 38.000 -0.167 0.000 1.051 198 I HN 0.273 nan 8.210 nan 0.000 0.413 199 L N 0.333 121.528 121.223 -0.047 0.000 2.042 199 L HA -0.162 4.180 4.340 0.004 0.000 0.210 199 L C 2.730 179.622 176.870 0.036 0.000 1.076 199 L CA 1.274 56.111 54.840 -0.006 0.000 0.749 199 L CB -0.920 41.141 42.059 0.004 0.000 0.893 199 L HN 0.238 nan 8.230 nan 0.000 0.432 200 V N 0.218 120.142 119.914 0.017 0.000 2.343 200 V HA -0.257 3.865 4.120 0.004 0.000 0.247 200 V C 2.864 179.044 176.094 0.143 0.000 1.051 200 V CA 1.622 63.945 62.300 0.039 0.000 1.036 200 V CB -1.121 30.706 31.823 0.007 0.000 0.654 200 V HN 0.468 nan 8.190 nan 0.000 0.451 201 A N 0.390 123.255 122.820 0.075 0.000 1.958 201 A HA -0.222 4.100 4.320 0.004 0.000 0.221 201 A C 2.231 179.904 177.584 0.149 0.000 1.178 201 A CA 2.238 54.327 52.037 0.085 0.000 0.642 201 A CB -0.606 18.381 19.000 -0.022 0.000 0.816 201 A HN 0.545 nan 8.150 nan 0.000 0.453 202 L N -2.190 119.109 121.223 0.126 0.000 1.988 202 L HA -0.131 4.211 4.340 0.004 0.000 0.207 202 L C 2.499 179.512 176.870 0.239 0.000 1.071 202 L CA 1.810 56.740 54.840 0.150 0.000 0.744 202 L CB -0.838 41.277 42.059 0.093 0.000 0.893 202 L HN 0.518 nan 8.230 nan 0.000 0.433 203 F N 1.060 121.050 119.950 0.066 0.000 2.154 203 F HA -0.319 4.210 4.527 0.003 0.000 0.301 203 F C 2.375 178.219 175.800 0.074 0.000 1.087 203 F CA 1.342 59.371 58.000 0.049 0.000 1.274 203 F CB -0.122 38.883 39.000 0.008 0.000 1.009 203 F HN 0.029 nan 8.300 nan 0.000 0.485 204 A N 0.546 123.640 122.820 0.456 0.000 1.845 204 A HA -0.219 4.103 4.320 0.004 0.000 0.215 204 A C 2.099 179.777 177.584 0.156 0.000 1.195 204 A CA 1.643 53.883 52.037 0.338 0.000 0.616 204 A CB -1.684 17.512 19.000 0.326 0.000 0.832 204 A HN 0.563 nan 8.150 nan 0.000 0.443 205 F N 1.090 121.070 119.950 0.050 0.000 2.126 205 F HA -0.112 4.417 4.527 0.004 0.000 0.299 205 F C 2.440 178.217 175.800 -0.037 0.000 1.096 205 F CA 1.317 59.325 58.000 0.013 0.000 1.255 205 F CB -0.334 38.673 39.000 0.010 0.000 0.997 205 F HN 0.230 nan 8.300 nan 0.000 0.479 206 A N -0.269 122.544 122.820 -0.012 0.000 2.125 206 A HA -0.120 4.202 4.320 0.004 0.000 0.219 206 A C 2.041 179.461 177.584 -0.274 0.000 1.156 206 A CA 1.826 53.777 52.037 -0.143 0.000 0.671 206 A CB -0.608 18.347 19.000 -0.075 0.000 0.794 206 A HN 0.557 nan 8.150 nan 0.000 0.459 207 M N -2.187 117.217 119.600 -0.327 0.000 2.338 207 M HA 0.306 4.788 4.480 0.004 0.000 0.276 207 M C 0.491 176.679 176.300 -0.186 0.000 1.057 207 M CA 0.011 55.130 55.300 -0.301 0.000 1.079 207 M CB 0.188 32.507 32.600 -0.468 0.000 1.547 207 M HN 0.241 nan 8.290 nan 0.000 0.549 208 M N 0.422 119.928 119.600 -0.157 0.000 2.163 208 M HA 0.353 4.835 4.480 0.004 0.000 0.305 208 M C 0.069 176.298 176.300 -0.118 0.000 1.166 208 M CA 0.609 55.864 55.300 -0.075 0.000 1.132 208 M CB 0.916 33.505 32.600 -0.017 0.000 1.413 208 M HN 0.084 nan 8.290 nan 0.000 0.478 209 R N -0.957 119.509 120.500 -0.057 0.000 2.789 209 R HA 0.142 4.484 4.340 0.004 0.000 0.279 209 R C -0.927 175.363 176.300 -0.016 0.000 1.010 209 R CA -0.630 55.431 56.100 -0.065 0.000 0.855 209 R CB 0.910 31.164 30.300 -0.077 0.000 1.312 209 R HN 0.631 nan 8.270 nan 0.000 0.479 210 D N -0.466 119.915 120.400 -0.031 0.000 2.240 210 D HA 0.078 4.720 4.640 0.004 0.000 0.206 210 D C -0.025 176.251 176.300 -0.039 0.000 0.963 210 D CA 1.418 55.411 54.000 -0.012 0.000 0.863 210 D CB 0.340 41.104 40.800 -0.060 0.000 0.973 210 D HN 0.715 nan 8.370 nan 0.000 0.501 211 T N -1.171 113.339 114.554 -0.074 0.000 5.658 211 T HA -0.119 4.233 4.350 0.004 0.000 0.271 211 T C -1.839 172.789 174.700 -0.120 0.000 2.170 211 T CA 1.147 63.204 62.100 -0.072 0.000 3.657 211 T CB -1.414 67.469 68.868 0.024 0.000 0.929 211 T HN 0.290 nan 8.240 nan 0.000 1.134 212 P HA 0.010 nan 4.420 nan 0.000 0.215 212 P C 1.655 178.839 177.300 -0.193 0.000 1.144 212 P CA 1.253 64.238 63.100 -0.192 0.000 0.874 212 P CB -0.060 31.495 31.700 -0.241 0.000 0.796 213 Q N 0.592 120.263 119.800 -0.215 0.000 2.325 213 Q HA -0.111 4.231 4.340 0.004 0.000 0.211 213 Q C 2.022 177.888 176.000 -0.223 0.000 0.988 213 Q CA 2.289 57.939 55.803 -0.255 0.000 0.887 213 Q CB -1.636 26.883 28.738 -0.366 0.000 0.915 213 Q HN 0.217 nan 8.270 nan 0.000 0.440 214 S N -2.141 113.437 115.700 -0.204 0.000 2.564 214 S HA 0.153 4.625 4.470 0.004 0.000 0.231 214 S C 1.530 176.002 174.600 -0.213 0.000 1.067 214 S CA 0.206 58.297 58.200 -0.181 0.000 0.908 214 S CB -0.309 62.794 63.200 -0.163 0.000 0.809 214 S HN 0.570 nan 8.310 nan 0.000 0.491 215 C N 0.498 119.626 119.300 -0.287 0.000 2.544 215 C HA 0.457 4.920 4.460 0.004 0.000 0.280 215 C C 2.261 177.114 174.990 -0.230 0.000 1.295 215 C CA 0.510 59.318 59.018 -0.349 0.000 1.702 215 C CB -0.856 26.504 27.740 -0.633 0.000 2.090 215 C HN 0.800 nan 8.230 nan 0.000 0.493 216 G N -0.308 108.373 108.800 -0.199 0.000 2.176 216 G HA2 -0.210 3.752 3.960 0.004 0.000 0.253 216 G HA3 -0.210 3.752 3.960 0.004 0.000 0.253 216 G C -0.235 174.597 174.900 -0.113 0.000 0.979 216 G CA 0.004 45.019 45.100 -0.141 0.000 0.641 216 G HN 0.387 nan 8.290 nan 0.000 0.530 217 L N 2.378 123.528 121.223 -0.123 0.000 2.282 217 L HA 0.460 4.802 4.340 0.004 0.000 0.287 217 L C -1.716 175.150 176.870 -0.008 0.000 1.075 217 L CA -1.703 53.104 54.840 -0.055 0.000 0.839 217 L CB 0.814 42.854 42.059 -0.032 0.000 1.219 217 L HN -0.112 nan 8.230 nan 0.000 0.434 218 P HA 0.052 nan 4.420 nan 0.000 0.266 218 P C -2.403 174.912 177.300 0.025 0.000 1.193 218 P CA -0.878 62.209 63.100 -0.021 0.000 0.770 218 P CB -0.139 31.535 31.700 -0.043 0.000 0.836 219 P HA -0.044 nan 4.420 nan 0.000 0.254 219 P C 0.200 177.525 177.300 0.043 0.000 1.186 219 P CA 0.833 63.981 63.100 0.080 0.000 0.868 219 P CB -0.106 31.671 31.700 0.127 0.000 0.856 220 I N 2.349 122.936 120.570 0.029 0.000 3.904 220 I HA -0.001 4.171 4.170 0.004 0.000 0.235 220 I C 1.625 177.789 176.117 0.077 0.000 1.062 220 I CA 0.487 61.766 61.300 -0.035 0.000 1.574 220 I CB -1.227 36.740 38.000 -0.054 0.000 1.503 220 I HN 0.368 nan 8.210 nan 0.000 0.463 221 E N 0.711 120.967 120.200 0.094 0.000 3.068 221 E HA -0.292 4.060 4.350 0.004 0.000 0.266 221 E C 0.383 177.085 176.600 0.169 0.000 1.079 221 E CA 1.523 57.989 56.400 0.110 0.000 0.742 221 E CB -0.405 29.310 29.700 0.025 0.000 1.373 221 E HN 0.559 nan 8.360 nan 0.000 0.459 222 E N -2.024 118.294 120.200 0.198 0.000 2.581 222 E HA 0.031 4.383 4.350 0.004 0.000 0.195 222 E C -0.454 176.291 176.600 0.241 0.000 0.936 222 E CA -0.032 56.495 56.400 0.211 0.000 1.387 222 E CB 0.031 29.872 29.700 0.236 0.000 1.424 222 E HN 0.296 nan 8.360 nan 0.000 0.742 223 Y N 1.514 121.869 120.300 0.091 0.000 3.178 223 Y HA -0.312 4.240 4.550 0.004 0.000 0.200 223 Y C 1.225 177.157 175.900 0.054 0.000 1.427 223 Y CA 0.494 58.633 58.100 0.065 0.000 1.250 223 Y CB -0.969 37.519 38.460 0.047 0.000 1.421 223 Y HN -0.101 nan 8.280 nan 0.000 0.506 224 K N 0.933 121.386 120.400 0.088 0.000 1.965 224 K HA -0.125 4.197 4.320 0.004 0.000 0.214 224 K C 0.979 177.620 176.600 0.068 0.000 1.046 224 K CA 1.928 58.258 56.287 0.071 0.000 0.944 224 K CB -0.467 32.053 32.500 0.034 0.000 0.726 224 K HN 0.754 nan 8.250 nan 0.000 0.441 225 N N 1.831 120.526 118.700 -0.008 0.000 2.738 225 N HA -0.163 4.579 4.740 0.004 0.000 0.249 225 N C -1.030 174.499 175.510 0.033 0.000 1.047 225 N CA 1.135 54.182 53.050 -0.005 0.000 0.707 225 N CB -1.302 37.202 38.487 0.029 0.000 0.937 225 N HN 0.358 nan 8.380 nan 0.000 0.545 241 A N 0.390 123.230 122.820 0.033 0.000 2.312 241 A HA 0.786 5.108 4.320 0.004 0.000 0.310 241 A C 1.456 179.075 177.584 0.059 0.000 1.139 241 A CA -0.134 51.926 52.037 0.040 0.000 0.886 241 A CB 0.741 19.763 19.000 0.037 0.000 1.350 241 A HN 0.997 nan 8.150 nan 0.000 0.479 242 K N -0.088 120.349 120.400 0.062 0.000 2.169 242 K HA -0.379 3.943 4.320 0.004 0.000 0.213 242 K C 1.719 178.400 176.600 0.134 0.000 1.050 242 K CA 2.754 59.096 56.287 0.091 0.000 0.935 242 K CB -0.474 32.070 32.500 0.074 0.000 0.722 242 K HN 0.768 nan 8.250 nan 0.000 0.468 243 Q N 0.275 120.140 119.800 0.107 0.000 2.167 243 Q HA -0.281 4.061 4.340 0.004 0.000 0.218 243 Q C 2.163 178.252 176.000 0.148 0.000 1.033 243 Q CA 2.732 58.600 55.803 0.108 0.000 0.918 243 Q CB -0.750 28.041 28.738 0.088 0.000 1.019 243 Q HN 0.501 nan 8.270 nan 0.000 0.417 244 I N -0.076 120.597 120.570 0.172 0.000 2.147 244 I HA -0.347 3.825 4.170 0.004 0.000 0.245 244 I C 2.275 178.528 176.117 0.228 0.000 1.059 244 I CA 1.828 63.269 61.300 0.235 0.000 1.320 244 I CB -0.392 37.661 38.000 0.089 0.000 1.021 244 I HN 0.226 nan 8.210 nan 0.000 0.415 245 F N 0.920 120.894 119.950 0.040 0.000 2.075 245 F HA -0.291 4.238 4.527 0.003 0.000 0.297 245 F C 2.414 178.180 175.800 -0.057 0.000 1.113 245 F CA 1.888 59.868 58.000 -0.033 0.000 1.218 245 F CB -0.345 38.632 39.000 -0.038 0.000 0.984 245 F HN -0.060 nan 8.300 nan 0.000 0.472 246 M N 0.564 120.083 119.600 -0.135 0.000 2.117 246 M HA -0.208 4.275 4.480 0.004 0.000 0.262 246 M C 2.202 178.353 176.300 -0.249 0.000 1.065 246 M CA 1.786 56.932 55.300 -0.257 0.000 1.114 246 M CB -0.647 31.931 32.600 -0.038 0.000 1.361 246 M HN 0.275 nan 8.290 nan 0.000 0.408 247 Q N -1.868 117.848 119.800 -0.140 0.000 2.049 247 Q HA -0.150 4.192 4.340 0.004 0.000 0.198 247 Q C 1.778 177.485 176.000 -0.489 0.000 0.971 247 Q CA 1.686 57.321 55.803 -0.280 0.000 0.833 247 Q CB -0.135 28.459 28.738 -0.240 0.000 0.896 247 Q HN 0.557 nan 8.270 nan 0.000 0.434 248 Y N -1.211 118.995 120.300 -0.158 0.000 2.441 248 Y HA 0.006 4.558 4.550 0.004 0.000 0.288 248 Y C 2.110 177.873 175.900 -0.228 0.000 1.118 248 Y CA 0.196 58.204 58.100 -0.153 0.000 1.215 248 Y CB 0.160 38.561 38.460 -0.099 0.000 1.118 248 Y HN -0.150 nan 8.280 nan 0.000 0.547 249 V N -0.664 119.130 119.914 -0.201 0.000 2.500 249 V HA -0.151 3.971 4.120 0.004 0.000 0.243 249 V C 2.161 177.846 176.094 -0.681 0.000 1.039 249 V CA 0.802 62.844 62.300 -0.429 0.000 1.053 249 V CB -0.566 30.994 31.823 -0.440 0.000 0.695 249 V HN 0.242 nan 8.190 nan 0.000 0.463 250 L N 0.501 121.233 121.223 -0.818 0.000 2.021 250 L HA -0.144 4.198 4.340 0.004 0.000 0.215 250 L C -0.140 176.627 176.870 -0.172 0.000 1.074 250 L CA 2.707 57.167 54.840 -0.633 0.000 0.760 250 L CB -1.246 40.489 42.059 -0.541 0.000 0.889 250 L HN 0.321 nan 8.230 nan 0.000 0.433 251 P HA -0.077 nan 4.420 nan 0.000 0.209 251 P C -0.205 177.120 177.300 0.042 0.000 1.196 251 P CA 0.443 63.541 63.100 -0.004 0.000 0.906 251 P CB -0.062 31.593 31.700 -0.075 0.000 0.754 252 N N -0.162 118.492 118.700 -0.077 0.000 2.700 252 N HA -0.235 4.507 4.740 0.004 0.000 0.265 252 N C 0.525 176.020 175.510 -0.024 0.000 0.975 252 N CA -0.128 52.866 53.050 -0.093 0.000 0.800 252 N CB -0.264 38.108 38.487 -0.191 0.000 0.908 252 N HN 0.131 nan 8.380 nan 0.000 0.551 253 K N -0.135 120.266 120.400 0.003 0.000 2.259 253 K HA -0.215 4.107 4.320 0.004 0.000 0.206 253 K C 1.848 178.282 176.600 -0.276 0.000 1.044 253 K CA 1.286 57.511 56.287 -0.104 0.000 0.931 253 K CB 0.018 32.419 32.500 -0.166 0.000 0.726 253 K HN 0.499 nan 8.250 nan 0.000 0.467 254 L N -0.054 121.094 121.223 -0.125 0.000 2.023 254 L HA -0.180 4.162 4.340 0.004 0.000 0.205 254 L C 2.236 179.065 176.870 -0.069 0.000 1.073 254 L CA 0.535 55.337 54.840 -0.064 0.000 0.745 254 L CB -0.312 41.739 42.059 -0.013 0.000 0.900 254 L HN 0.117 nan 8.230 nan 0.000 0.435 255 L N -0.990 120.163 121.223 -0.117 0.000 2.129 255 L HA -0.229 4.113 4.340 0.004 0.000 0.212 255 L C 2.108 178.898 176.870 -0.132 0.000 1.087 255 L CA 1.896 56.648 54.840 -0.146 0.000 0.757 255 L CB -0.752 41.167 42.059 -0.233 0.000 0.896 255 L HN 0.231 nan 8.230 nan 0.000 0.434 256 W N -1.806 119.412 121.300 -0.137 0.000 2.335 256 W HA -0.290 4.373 4.660 0.004 0.000 0.311 256 W C 2.511 179.011 176.519 -0.032 0.000 1.213 256 W CA 1.286 58.548 57.345 -0.139 0.000 1.274 256 W CB -0.514 28.766 29.460 -0.301 0.000 1.148 256 W HN 0.125 nan 8.180 nan 0.000 0.498 257 Y N 0.453 120.890 120.300 0.228 0.000 2.128 257 Y HA -0.264 4.288 4.550 0.003 0.000 0.284 257 Y C 2.279 178.225 175.900 0.077 0.000 1.154 257 Y CA 1.368 59.549 58.100 0.135 0.000 1.149 257 Y CB -1.648 36.855 38.460 0.071 0.000 0.976 257 Y HN 0.049 nan 8.280 nan 0.000 0.505 258 I N -1.955 118.708 120.570 0.154 0.000 2.394 258 I HA -0.135 4.037 4.170 0.004 0.000 0.251 258 I C 2.447 178.590 176.117 0.044 0.000 1.136 258 I CA 1.355 62.674 61.300 0.031 0.000 1.425 258 I CB -0.943 36.998 38.000 -0.097 0.000 1.079 258 I HN 0.054 nan 8.210 nan 0.000 0.425 259 A N 1.706 124.560 122.820 0.056 0.000 1.854 259 A HA -0.112 4.211 4.320 0.004 0.000 0.214 259 A C 2.289 179.974 177.584 0.169 0.000 1.192 259 A CA 1.526 53.577 52.037 0.023 0.000 0.611 259 A CB -0.803 18.092 19.000 -0.176 0.000 0.832 259 A HN 0.416 nan 8.150 nan 0.000 0.442 260 I N -0.284 120.453 120.570 0.278 0.000 2.700 260 I HA -0.093 4.079 4.170 0.004 0.000 0.261 260 I C 2.241 178.529 176.117 0.285 0.000 1.219 260 I CA 0.927 62.425 61.300 0.331 0.000 1.463 260 I CB -0.263 37.983 38.000 0.410 0.000 1.092 260 I HN 0.279 nan 8.210 nan 0.000 0.452 261 A N -0.233 122.731 122.820 0.239 0.000 1.887 261 A HA -0.121 4.201 4.320 0.004 0.000 0.212 261 A C 2.233 179.899 177.584 0.136 0.000 1.198 261 A CA 1.349 53.526 52.037 0.234 0.000 0.628 261 A CB -0.978 18.101 19.000 0.132 0.000 0.847 261 A HN 0.506 nan 8.150 nan 0.000 0.449 262 N N -0.024 118.699 118.700 0.038 0.000 2.091 262 N HA -0.190 4.552 4.740 0.004 0.000 0.193 262 N C 1.665 177.145 175.510 -0.051 0.000 1.021 262 N CA 1.530 54.542 53.050 -0.063 0.000 0.862 262 N CB -0.227 38.215 38.487 -0.076 0.000 1.018 262 N HN 0.219 nan 8.380 nan 0.000 0.429 263 V N 0.739 120.627 119.914 -0.044 0.000 2.222 263 V HA -0.316 3.806 4.120 0.004 0.000 0.252 263 V C 1.715 177.672 176.094 -0.227 0.000 1.060 263 V CA 2.055 64.243 62.300 -0.188 0.000 1.027 263 V CB -0.956 30.584 31.823 -0.472 0.000 0.644 263 V HN 0.304 nan 8.190 nan 0.000 0.448 264 F N -0.085 119.880 119.950 0.025 0.000 2.307 264 F HA -0.125 4.404 4.527 0.003 0.000 0.301 264 F C 2.159 177.945 175.800 -0.023 0.000 1.076 264 F CA 1.206 59.206 58.000 -0.000 0.000 1.383 264 F CB -1.160 37.838 39.000 -0.004 0.000 1.055 264 F HN -0.002 nan 8.300 nan 0.000 0.526 265 V N -1.274 118.687 119.914 0.078 0.000 2.270 265 V HA -0.320 3.802 4.120 0.004 0.000 0.245 265 V C 2.009 178.068 176.094 -0.059 0.000 1.043 265 V CA 1.658 63.940 62.300 -0.030 0.000 1.014 265 V CB -1.154 30.566 31.823 -0.172 0.000 0.645 265 V HN 0.317 nan 8.190 nan 0.000 0.447 266 Y N -0.295 119.919 120.300 -0.144 0.000 2.333 266 Y HA -0.187 4.365 4.550 0.004 0.000 0.290 266 Y C 2.381 178.118 175.900 -0.271 0.000 1.144 266 Y CA 0.993 58.912 58.100 -0.302 0.000 1.228 266 Y CB 0.101 38.367 38.460 -0.324 0.000 0.985 266 Y HN 0.274 nan 8.280 nan 0.000 0.542 267 L N -0.460 120.778 121.223 0.024 0.000 2.179 267 L HA -0.137 4.205 4.340 0.004 0.000 0.208 267 L C 1.867 178.768 176.870 0.052 0.000 1.096 267 L CA 1.346 56.205 54.840 0.031 0.000 0.779 267 L CB -0.869 41.210 42.059 0.034 0.000 0.922 267 L HN 0.191 nan 8.230 nan 0.000 0.443 268 L N 0.036 121.288 121.223 0.049 0.000 2.093 268 L HA -0.165 4.177 4.340 0.004 0.000 0.208 268 L C 2.670 179.580 176.870 0.067 0.000 1.085 268 L CA 1.772 56.632 54.840 0.032 0.000 0.755 268 L CB -0.694 41.389 42.059 0.040 0.000 0.904 268 L HN 0.491 nan 8.230 nan 0.000 0.435 269 R N -1.022 119.526 120.500 0.080 0.000 2.070 269 R HA -0.207 4.135 4.340 0.004 0.000 0.232 269 R C 2.363 178.839 176.300 0.294 0.000 1.138 269 R CA 1.904 58.106 56.100 0.171 0.000 0.936 269 R CB -0.591 29.750 30.300 0.068 0.000 0.839 269 R HN 0.384 nan 8.270 nan 0.000 0.429 270 Y N -0.607 119.723 120.300 0.049 0.000 2.220 270 Y HA -0.045 4.507 4.550 0.003 0.000 0.291 270 Y C 2.504 178.370 175.900 -0.056 0.000 1.129 270 Y CA 0.148 58.218 58.100 -0.049 0.000 1.161 270 Y CB -0.235 38.155 38.460 -0.117 0.000 0.997 270 Y HN 0.388 nan 8.280 nan 0.000 0.522 271 G N 0.496 109.421 108.800 0.209 0.000 2.440 271 G HA2 -0.263 3.699 3.960 0.004 0.000 0.218 271 G HA3 -0.263 3.699 3.960 0.004 0.000 0.218 271 G C 1.591 176.665 174.900 0.290 0.000 1.154 271 G CA 0.819 46.125 45.100 0.344 0.000 0.767 271 G HN 0.369 nan 8.290 nan 0.000 0.552 272 I N -0.370 120.231 120.570 0.052 0.000 2.252 272 I HA -0.072 4.101 4.170 0.004 0.000 0.245 272 I C 2.529 178.566 176.117 -0.133 0.000 1.102 272 I CA 0.594 61.845 61.300 -0.082 0.000 1.385 272 I CB 0.055 37.979 38.000 -0.126 0.000 1.064 272 I HN 0.177 nan 8.210 nan 0.000 0.414 273 L N 0.540 121.640 121.223 -0.205 0.000 2.109 273 L HA -0.181 4.161 4.340 0.004 0.000 0.207 273 L C 1.713 178.320 176.870 -0.439 0.000 1.086 273 L CA 1.902 56.458 54.840 -0.475 0.000 0.760 273 L CB -0.676 41.109 42.059 -0.456 0.000 0.910 273 L HN 0.165 nan 8.230 nan 0.000 0.437 274 D N -1.805 118.390 120.400 -0.341 0.000 2.277 274 D HA -0.157 4.485 4.640 0.004 0.000 0.208 274 D C 1.857 177.831 176.300 -0.544 0.000 0.962 274 D CA 0.762 54.462 54.000 -0.499 0.000 0.865 274 D CB -0.084 40.267 40.800 -0.747 0.000 0.939 274 D HN 0.442 nan 8.370 nan 0.000 0.510 275 W N 0.834 122.118 121.300 -0.026 0.000 2.812 275 W HA 0.114 4.776 4.660 0.003 0.000 0.263 275 W C 2.002 178.541 176.519 0.032 0.000 1.284 275 W CA 0.009 57.401 57.345 0.077 0.000 1.430 275 W CB -0.422 29.199 29.460 0.268 0.000 1.088 275 W HN -0.092 nan 8.180 nan 0.000 0.623 276 S N 1.323 117.067 115.700 0.073 0.000 2.408 276 S HA -0.234 4.238 4.470 0.004 0.000 0.241 276 S C -0.218 174.433 174.600 0.084 0.000 1.080 276 S CA 2.285 60.484 58.200 -0.001 0.000 1.109 276 S CB -1.802 61.261 63.200 -0.228 0.000 0.966 276 S HN 0.235 nan 8.310 nan 0.000 0.449 277 P HA -0.032 nan 4.420 nan 0.000 0.216 277 P C 1.676 178.952 177.300 -0.038 0.000 1.156 277 P CA 1.467 64.564 63.100 -0.004 0.000 0.855 277 P CB -0.348 31.289 31.700 -0.105 0.000 0.786 278 T N -1.328 113.211 114.554 -0.026 0.000 2.746 278 T HA -0.220 4.133 4.350 0.004 0.000 0.267 278 T C 1.934 176.623 174.700 -0.017 0.000 1.039 278 T CA 1.275 63.361 62.100 -0.023 0.000 1.142 278 T CB -1.082 67.841 68.868 0.092 0.000 0.866 278 T HN 0.072 nan 8.240 nan 0.000 0.444 279 Y N 1.212 121.467 120.300 -0.075 0.000 2.242 279 Y HA 0.264 4.816 4.550 0.003 0.000 0.291 279 Y C 0.687 176.473 175.900 -0.190 0.000 1.137 279 Y CA 0.439 58.357 58.100 -0.303 0.000 1.181 279 Y CB -0.171 38.258 38.460 -0.051 0.000 0.989 279 Y HN 0.155 nan 8.280 nan 0.000 0.527 280 L N 2.661 124.041 121.223 0.262 0.000 2.456 280 L HA -0.023 4.319 4.340 0.004 0.000 0.272 280 L C 1.203 178.062 176.870 -0.018 0.000 1.189 280 L CA 0.503 55.433 54.840 0.151 0.000 0.846 280 L CB 0.558 42.737 42.059 0.200 0.000 1.111 280 L HN 0.401 nan 8.230 nan 0.000 0.475 281 K N 1.078 121.474 120.400 -0.006 0.000 3.391 281 K HA -0.244 4.078 4.320 0.004 0.000 0.307 281 K C 0.740 177.209 176.600 -0.219 0.000 1.304 281 K CA 1.506 57.782 56.287 -0.018 0.000 0.904 281 K CB -0.479 32.008 32.500 -0.022 0.000 1.293 281 K HN 0.843 nan 8.250 nan 0.000 0.470 282 E N -0.572 119.408 120.200 -0.365 0.000 2.279 282 E HA 0.138 4.490 4.350 0.004 0.000 0.199 282 E C -0.133 176.120 176.600 -0.580 0.000 0.893 282 E CA 0.621 56.739 56.400 -0.471 0.000 0.978 282 E CB 0.786 30.140 29.700 -0.577 0.000 0.964 282 E HN 0.180 nan 8.360 nan 0.000 0.486 283 V N 0.741 120.329 119.914 -0.544 0.000 3.074 283 V HA 0.279 4.401 4.120 0.004 0.000 0.314 283 V C -0.553 175.475 176.094 -0.110 0.000 1.117 283 V CA -1.006 61.084 62.300 -0.350 0.000 1.014 283 V CB 1.815 33.381 31.823 -0.427 0.000 1.057 283 V HN 0.246 nan 8.190 nan 0.000 0.438 284 K N 1.539 122.014 120.400 0.125 0.000 3.071 284 K HA -0.178 4.144 4.320 0.004 0.000 0.262 284 K C -0.162 176.568 176.600 0.216 0.000 0.977 284 K CA 0.654 57.027 56.287 0.144 0.000 0.721 284 K CB -1.115 31.452 32.500 0.112 0.000 1.293 284 K HN 1.007 nan 8.250 nan 0.000 0.475 285 H N -0.851 118.225 119.070 0.009 0.000 3.014 285 H HA 0.129 4.688 4.556 0.004 0.000 0.266 285 H C 0.494 175.888 175.328 0.110 0.000 1.455 285 H CA -0.883 55.181 56.048 0.027 0.000 1.402 285 H CB -0.133 29.602 29.762 -0.045 0.000 1.626 285 H HN 0.146 nan 8.280 nan 0.000 0.520 286 F N 2.327 122.282 119.950 0.010 0.000 2.208 286 F HA 0.504 5.033 4.527 0.003 0.000 0.282 286 F C 0.674 176.483 175.800 0.014 0.000 1.071 286 F CA 0.890 58.877 58.000 -0.022 0.000 1.228 286 F CB 0.459 39.459 39.000 -0.000 0.000 1.088 286 F HN 0.706 nan 8.300 nan 0.000 0.512 287 A N -0.401 122.534 122.820 0.191 0.000 2.599 287 A HA 0.362 4.684 4.320 0.004 0.000 0.294 287 A C -0.090 177.581 177.584 0.144 0.000 1.055 287 A CA -0.445 51.655 52.037 0.104 0.000 0.683 287 A CB 0.057 19.095 19.000 0.063 0.000 1.278 287 A HN 0.224 nan 8.150 nan 0.000 0.412 288 L N 0.454 121.754 121.223 0.128 0.000 2.093 288 L HA -0.060 4.282 4.340 0.004 0.000 0.208 288 L C 1.657 178.634 176.870 0.178 0.000 1.085 288 L CA 3.220 58.152 54.840 0.153 0.000 0.755 288 L CB -0.945 41.233 42.059 0.198 0.000 0.904 288 L HN 1.104 nan 8.230 nan 0.000 0.435 289 D N 0.389 120.893 120.400 0.174 0.000 2.156 289 D HA -0.281 4.361 4.640 0.004 0.000 0.190 289 D C 2.121 178.579 176.300 0.264 0.000 0.998 289 D CA 2.222 56.343 54.000 0.202 0.000 0.842 289 D CB 0.080 40.965 40.800 0.143 0.000 0.974 289 D HN 0.258 nan 8.370 nan 0.000 0.447 290 K N -0.122 120.416 120.400 0.229 0.000 2.155 290 K HA -0.065 4.257 4.320 0.004 0.000 0.203 290 K C 2.270 179.028 176.600 0.264 0.000 1.052 290 K CA 0.825 57.260 56.287 0.247 0.000 0.948 290 K CB -0.200 32.414 32.500 0.189 0.000 0.728 290 K HN 0.099 nan 8.250 nan 0.000 0.448 291 S N 1.099 116.928 115.700 0.216 0.000 2.377 291 S HA -0.226 4.246 4.470 0.004 0.000 0.224 291 S C 1.985 176.703 174.600 0.196 0.000 1.042 291 S CA 2.253 60.560 58.200 0.179 0.000 1.086 291 S CB -0.319 62.957 63.200 0.127 0.000 0.995 291 S HN 0.235 nan 8.310 nan 0.000 0.428 292 S N -0.296 115.512 115.700 0.180 0.000 2.453 292 S HA 0.014 4.486 4.470 0.004 0.000 0.231 292 S C 1.237 175.939 174.600 0.171 0.000 1.005 292 S CA 0.542 58.817 58.200 0.126 0.000 0.949 292 S CB -0.413 62.815 63.200 0.047 0.000 0.774 292 S HN 0.726 nan 8.310 nan 0.000 0.510 293 W N 1.905 123.280 121.300 0.125 0.000 2.937 293 W HA 0.240 4.902 4.660 0.004 0.000 0.245 293 W C 1.947 178.613 176.519 0.244 0.000 1.306 293 W CA 0.545 57.987 57.345 0.162 0.000 1.470 293 W CB -0.248 29.276 29.460 0.108 0.000 1.132 293 W HN 0.354 nan 8.180 nan 0.000 0.675 294 A N -1.090 121.961 122.820 0.385 0.000 1.901 294 A HA -0.135 4.187 4.320 0.004 0.000 0.210 294 A C 1.702 179.462 177.584 0.294 0.000 1.208 294 A CA 0.681 52.901 52.037 0.304 0.000 0.644 294 A CB -1.433 17.691 19.000 0.206 0.000 0.863 294 A HN 0.318 nan 8.150 nan 0.000 0.454 295 Y N -0.508 119.851 120.300 0.098 0.000 2.151 295 Y HA -0.344 4.208 4.550 0.003 0.000 0.284 295 Y C 2.081 178.054 175.900 0.121 0.000 1.166 295 Y CA 2.147 60.274 58.100 0.045 0.000 1.163 295 Y CB -0.276 38.181 38.460 -0.006 0.000 0.974 295 Y HN 0.408 nan 8.280 nan 0.000 0.511 296 F N 0.655 120.749 119.950 0.239 0.000 2.031 296 F HA -0.283 4.246 4.527 0.003 0.000 0.295 296 F C 1.922 177.830 175.800 0.180 0.000 1.133 296 F CA 1.897 59.940 58.000 0.071 0.000 1.188 296 F CB -1.034 37.805 39.000 -0.269 0.000 0.974 296 F HN -0.009 nan 8.300 nan 0.000 0.473 297 L N -0.671 120.433 121.223 -0.198 0.000 2.089 297 L HA -0.297 4.045 4.340 0.004 0.000 0.213 297 L C 2.509 179.375 176.870 -0.007 0.000 1.079 297 L CA 2.129 56.865 54.840 -0.173 0.000 0.758 297 L CB -1.057 41.112 42.059 0.184 0.000 0.891 297 L HN 0.442 nan 8.230 nan 0.000 0.433 298 Y N 0.723 121.005 120.300 -0.030 0.000 2.153 298 Y HA -0.278 4.275 4.550 0.004 0.000 0.289 298 Y C 2.631 178.518 175.900 -0.021 0.000 1.127 298 Y CA 1.976 60.072 58.100 -0.006 0.000 1.131 298 Y CB -0.059 38.387 38.460 -0.023 0.000 0.995 298 Y HN 0.100 nan 8.280 nan 0.000 0.505 299 E N -0.943 119.387 120.200 0.216 0.000 2.106 299 E HA -0.218 4.134 4.350 0.004 0.000 0.192 299 E C 1.800 178.378 176.600 -0.037 0.000 0.984 299 E CA 1.452 57.891 56.400 0.064 0.000 0.806 299 E CB -0.401 29.447 29.700 0.246 0.000 0.750 299 E HN 0.605 nan 8.360 nan 0.000 0.458 300 Y N -0.357 119.791 120.300 -0.252 0.000 2.314 300 Y HA 0.067 4.619 4.550 0.003 0.000 0.293 300 Y C 2.040 177.841 175.900 -0.164 0.000 1.129 300 Y CA 0.995 58.934 58.100 -0.268 0.000 1.201 300 Y CB -0.259 37.854 38.460 -0.578 0.000 0.999 300 Y HN 0.133 nan 8.280 nan 0.000 0.541 301 A N -0.592 122.224 122.820 -0.008 0.000 2.209 301 A HA 0.021 4.343 4.320 0.004 0.000 0.212 301 A C 2.468 180.090 177.584 0.064 0.000 1.158 301 A CA 1.212 53.300 52.037 0.085 0.000 0.742 301 A CB -1.215 17.863 19.000 0.130 0.000 0.790 301 A HN 0.448 nan 8.150 nan 0.000 0.472 302 G N 0.393 109.124 108.800 -0.114 0.000 2.422 302 G HA2 -0.140 3.822 3.960 0.004 0.000 0.218 302 G HA3 -0.140 3.822 3.960 0.004 0.000 0.218 302 G C 1.449 176.223 174.900 -0.210 0.000 1.140 302 G CA 0.962 45.938 45.100 -0.207 0.000 0.775 302 G HN 0.484 nan 8.290 nan 0.000 0.545 303 I N 1.587 122.053 120.570 -0.175 0.000 2.087 303 I HA -0.182 3.990 4.170 0.004 0.000 0.240 303 I C -0.056 176.002 176.117 -0.098 0.000 1.054 303 I CA 1.539 62.755 61.300 -0.139 0.000 1.311 303 I CB -1.208 36.716 38.000 -0.127 0.000 1.024 303 I HN 0.166 nan 8.210 nan 0.000 0.402 304 P HA -0.094 nan 4.420 nan 0.000 0.216 304 P C 1.572 178.790 177.300 -0.138 0.000 1.153 304 P CA 1.631 64.738 63.100 0.012 0.000 0.848 304 P CB -0.210 31.600 31.700 0.182 0.000 0.787 305 G N -0.959 107.514 108.800 -0.545 0.000 2.575 305 G HA2 -0.300 3.663 3.960 0.004 0.000 0.215 305 G HA3 -0.300 3.663 3.960 0.004 0.000 0.215 305 G C 1.725 176.328 174.900 -0.495 0.000 1.262 305 G CA 1.825 46.169 45.100 -1.259 0.000 0.807 305 G HN 0.210 nan 8.290 nan 0.000 0.567 306 T N 0.568 114.902 114.554 -0.368 0.000 2.624 306 T HA -0.296 4.057 4.350 0.004 0.000 0.266 306 T C 2.388 177.005 174.700 -0.139 0.000 1.050 306 T CA 2.173 64.158 62.100 -0.192 0.000 1.163 306 T CB -0.466 68.406 68.868 0.007 0.000 0.861 306 T HN 0.191 nan 8.240 nan 0.000 0.443 307 L N 1.126 122.291 121.223 -0.097 0.000 2.021 307 L HA -0.060 4.282 4.340 0.004 0.000 0.215 307 L C 2.289 179.149 176.870 -0.017 0.000 1.074 307 L CA 2.049 56.862 54.840 -0.044 0.000 0.760 307 L CB -0.897 41.140 42.059 -0.035 0.000 0.889 307 L HN 0.422 nan 8.230 nan 0.000 0.433 308 L N -0.858 120.348 121.223 -0.028 0.000 2.072 308 L HA -0.210 4.132 4.340 0.004 0.000 0.205 308 L C 2.698 179.646 176.870 0.130 0.000 1.079 308 L CA 2.067 56.952 54.840 0.075 0.000 0.752 308 L CB -1.356 40.756 42.059 0.089 0.000 0.906 308 L HN 0.638 nan 8.230 nan 0.000 0.436 309 C N 0.896 120.176 119.300 -0.032 0.000 2.403 309 C HA -0.151 4.311 4.460 0.004 0.000 0.279 309 C C 2.846 177.724 174.990 -0.187 0.000 1.269 309 C CA 1.035 59.880 59.018 -0.288 0.000 1.774 309 C CB -1.553 25.696 27.740 -0.818 0.000 1.993 309 C HN 0.704 nan 8.230 nan 0.000 0.496 310 G N -1.263 107.482 108.800 -0.093 0.000 2.424 310 G HA2 -0.253 3.709 3.960 0.004 0.000 0.214 310 G HA3 -0.253 3.709 3.960 0.004 0.000 0.214 310 G C 1.409 176.332 174.900 0.038 0.000 1.202 310 G CA 0.781 45.850 45.100 -0.052 0.000 0.793 310 G HN 0.777 nan 8.290 nan 0.000 0.534 311 W N 0.749 121.999 121.300 -0.083 0.000 2.358 311 W HA -0.043 4.619 4.660 0.003 0.000 0.303 311 W C 2.575 179.051 176.519 -0.072 0.000 1.208 311 W CA 1.789 59.096 57.345 -0.063 0.000 1.274 311 W CB -0.053 29.381 29.460 -0.043 0.000 1.138 311 W HN 0.200 nan 8.180 nan 0.000 0.515 312 M N 0.210 119.937 119.600 0.212 0.000 2.149 312 M HA -0.238 4.244 4.480 0.004 0.000 0.261 312 M C 2.495 178.611 176.300 -0.308 0.000 1.064 312 M CA 2.290 57.510 55.300 -0.133 0.000 1.102 312 M CB -0.509 32.129 32.600 0.063 0.000 1.369 312 M HN 0.105 nan 8.290 nan 0.000 0.408 313 S N -0.230 115.387 115.700 -0.138 0.000 2.383 313 S HA -0.200 4.272 4.470 0.004 0.000 0.227 313 S C 1.742 176.283 174.600 -0.097 0.000 1.026 313 S CA 1.799 59.972 58.200 -0.045 0.000 0.981 313 S CB -0.463 62.712 63.200 -0.041 0.000 0.818 313 S HN 0.627 nan 8.310 nan 0.000 0.472 314 D N 0.520 120.803 120.400 -0.195 0.000 2.120 314 D HA -0.067 4.575 4.640 0.004 0.000 0.202 314 D C 2.028 178.152 176.300 -0.294 0.000 0.972 314 D CA 1.137 55.012 54.000 -0.209 0.000 0.837 314 D CB -0.114 40.571 40.800 -0.192 0.000 0.989 314 D HN 0.373 nan 8.370 nan 0.000 0.469 315 K N 0.326 120.404 120.400 -0.537 0.000 2.076 315 K HA 0.010 4.332 4.320 0.004 0.000 0.204 315 K C 1.898 178.238 176.600 -0.433 0.000 1.051 315 K CA 0.943 56.874 56.287 -0.594 0.000 0.949 315 K CB -0.527 31.301 32.500 -1.122 0.000 0.726 315 K HN -0.007 nan 8.250 nan 0.000 0.443 316 V N -0.208 119.425 119.914 -0.467 0.000 2.575 316 V HA 0.121 4.243 4.120 0.004 0.000 0.242 316 V C 1.375 177.363 176.094 -0.177 0.000 1.045 316 V CA 1.050 63.131 62.300 -0.364 0.000 1.065 316 V CB -0.196 31.312 31.823 -0.525 0.000 0.717 316 V HN 0.276 nan 8.190 nan 0.000 0.467 317 F N -0.210 119.653 119.950 -0.146 0.000 2.732 317 F HA 0.295 4.825 4.527 0.004 0.000 0.303 317 F C 1.072 176.808 175.800 -0.107 0.000 1.110 317 F CA -0.447 57.496 58.000 -0.094 0.000 1.355 317 F CB 0.129 39.083 39.000 -0.077 0.000 1.081 317 F HN 0.031 nan 8.300 nan 0.000 0.565 318 R N 0.710 121.230 120.500 0.032 0.000 3.322 318 R HA -0.244 4.098 4.340 0.004 0.000 0.253 318 R C 1.119 177.395 176.300 -0.040 0.000 0.987 318 R CA 0.417 56.500 56.100 -0.028 0.000 0.666 318 R CB -2.214 28.075 30.300 -0.019 0.000 1.072 318 R HN 0.626 nan 8.270 nan 0.000 0.447 319 G N -0.448 108.322 108.800 -0.050 0.000 2.162 319 G HA2 -0.358 3.604 3.960 0.004 0.000 0.260 319 G HA3 -0.358 3.604 3.960 0.004 0.000 0.260 319 G C -0.138 174.694 174.900 -0.112 0.000 0.976 319 G CA 0.185 45.236 45.100 -0.083 0.000 0.655 319 G HN 0.496 nan 8.290 nan 0.000 0.533 320 N N 0.112 118.754 118.700 -0.098 0.000 2.437 320 N HA 0.405 5.147 4.740 0.004 0.000 0.243 320 N C 1.525 176.914 175.510 -0.201 0.000 1.041 320 N CA -0.384 52.560 53.050 -0.176 0.000 0.940 320 N CB 0.695 39.066 38.487 -0.194 0.000 1.133 320 N HN 0.256 nan 8.380 nan 0.000 0.506 321 R N 2.117 122.447 120.500 -0.283 0.000 2.073 321 R HA 0.088 4.430 4.340 0.004 0.000 0.229 321 R C 2.058 178.280 176.300 -0.130 0.000 1.120 321 R CA 1.408 57.360 56.100 -0.247 0.000 0.967 321 R CB -0.619 29.477 30.300 -0.339 0.000 0.862 321 R HN 0.647 nan 8.270 nan 0.000 0.436 322 G N 0.273 109.019 108.800 -0.089 0.000 2.476 322 G HA2 -0.304 3.658 3.960 0.004 0.000 0.218 322 G HA3 -0.304 3.658 3.960 0.004 0.000 0.218 322 G C 1.522 176.417 174.900 -0.008 0.000 1.164 322 G CA 0.950 46.154 45.100 0.172 0.000 0.768 322 G HN 0.435 nan 8.290 nan 0.000 0.560 323 A N -0.104 122.625 122.820 -0.151 0.000 2.076 323 A HA 0.023 4.345 4.320 0.004 0.000 0.220 323 A C 2.465 179.835 177.584 -0.356 0.000 1.160 323 A CA 2.362 54.202 52.037 -0.328 0.000 0.653 323 A CB -0.606 18.036 19.000 -0.597 0.000 0.801 323 A HN 0.328 nan 8.150 nan 0.000 0.455 324 T N -0.801 113.664 114.554 -0.148 0.000 2.978 324 T HA 0.078 4.430 4.350 0.004 0.000 0.262 324 T C 1.963 176.870 174.700 0.345 0.000 1.063 324 T CA 0.962 63.234 62.100 0.287 0.000 1.140 324 T CB -0.307 68.718 68.868 0.261 0.000 0.886 324 T HN 0.541 nan 8.240 nan 0.000 0.470 325 G N 1.336 110.220 108.800 0.140 0.000 2.402 325 G HA2 -0.155 3.807 3.960 0.004 0.000 0.216 325 G HA3 -0.155 3.807 3.960 0.004 0.000 0.216 325 G C 1.673 176.703 174.900 0.217 0.000 1.162 325 G CA 0.704 45.885 45.100 0.135 0.000 0.777 325 G HN 0.399 nan 8.290 nan 0.000 0.539 326 V N 0.610 120.618 119.914 0.157 0.000 2.252 326 V HA -0.197 3.925 4.120 0.004 0.000 0.249 326 V C 2.352 178.600 176.094 0.256 0.000 1.056 326 V CA 2.047 64.431 62.300 0.140 0.000 1.022 326 V CB -0.686 31.165 31.823 0.047 0.000 0.641 326 V HN 0.376 nan 8.190 nan 0.000 0.445 327 F N 0.405 120.474 119.950 0.197 0.000 2.069 327 F HA -0.188 4.341 4.527 0.003 0.000 0.298 327 F C 2.033 177.914 175.800 0.136 0.000 1.113 327 F CA 1.599 59.738 58.000 0.231 0.000 1.214 327 F CB -0.652 38.643 39.000 0.493 0.000 0.978 327 F HN 0.130 nan 8.300 nan 0.000 0.474 328 F N -0.575 119.728 119.950 0.589 0.000 2.098 328 F HA -0.192 4.337 4.527 0.004 0.000 0.294 328 F C 2.509 178.433 175.800 0.208 0.000 1.107 328 F CA 1.280 59.510 58.000 0.383 0.000 1.234 328 F CB -0.853 38.261 39.000 0.189 0.000 1.002 328 F HN -0.082 nan 8.300 nan 0.000 0.472 329 M N 0.057 119.853 119.600 0.328 0.000 2.144 329 M HA -0.199 4.283 4.480 0.004 0.000 0.260 329 M C 2.179 178.557 176.300 0.130 0.000 1.067 329 M CA 1.822 57.230 55.300 0.181 0.000 1.095 329 M CB -1.584 31.086 32.600 0.116 0.000 1.365 329 M HN 0.101 nan 8.290 nan 0.000 0.406 330 T N 0.826 115.446 114.554 0.111 0.000 2.708 330 T HA -0.112 4.240 4.350 0.004 0.000 0.266 330 T C 2.004 176.722 174.700 0.031 0.000 1.037 330 T CA 1.053 63.178 62.100 0.041 0.000 1.146 330 T CB -0.301 68.561 68.868 -0.010 0.000 0.865 330 T HN 0.333 nan 8.240 nan 0.000 0.435 331 L N 1.427 122.669 121.223 0.031 0.000 2.131 331 L HA -0.104 4.238 4.340 0.004 0.000 0.210 331 L C 2.805 179.732 176.870 0.095 0.000 1.092 331 L CA 1.112 55.966 54.840 0.024 0.000 0.759 331 L CB -0.650 41.412 42.059 0.005 0.000 0.903 331 L HN 0.271 nan 8.230 nan 0.000 0.435 332 V N -2.935 117.064 119.914 0.142 0.000 2.358 332 V HA -0.225 3.898 4.120 0.004 0.000 0.246 332 V C 2.245 178.419 176.094 0.133 0.000 1.047 332 V CA 2.308 64.707 62.300 0.163 0.000 1.035 332 V CB -0.684 31.241 31.823 0.170 0.000 0.658 332 V HN 0.365 nan 8.190 nan 0.000 0.452 333 T N 0.561 115.173 114.554 0.097 0.000 2.777 333 T HA -0.048 4.305 4.350 0.004 0.000 0.266 333 T C 1.854 176.595 174.700 0.068 0.000 1.040 333 T CA 2.121 64.268 62.100 0.078 0.000 1.141 333 T CB -0.402 68.497 68.868 0.052 0.000 0.868 333 T HN 0.515 nan 8.240 nan 0.000 0.444 334 I N 0.803 121.397 120.570 0.041 0.000 2.208 334 I HA -0.236 3.936 4.170 0.004 0.000 0.245 334 I C 2.597 178.698 176.117 -0.026 0.000 1.097 334 I CA 1.284 62.586 61.300 0.004 0.000 1.363 334 I CB -0.272 37.716 38.000 -0.020 0.000 1.051 334 I HN 0.228 nan 8.210 nan 0.000 0.413 335 A N -0.519 122.314 122.820 0.023 0.000 1.873 335 A HA -0.199 4.123 4.320 0.004 0.000 0.215 335 A C 2.280 179.909 177.584 0.075 0.000 1.186 335 A CA 2.256 54.290 52.037 -0.005 0.000 0.616 335 A CB -1.192 17.999 19.000 0.318 0.000 0.823 335 A HN 0.407 nan 8.150 nan 0.000 0.442 336 T N 0.957 115.646 114.554 0.225 0.000 2.699 336 T HA -0.211 4.141 4.350 0.004 0.000 0.268 336 T C 1.823 176.731 174.700 0.347 0.000 1.036 336 T CA 1.912 64.189 62.100 0.294 0.000 1.147 336 T CB -0.696 68.278 68.868 0.177 0.000 0.862 336 T HN 0.688 nan 8.240 nan 0.000 0.446 337 I N -0.018 120.693 120.570 0.235 0.000 2.233 337 I HA -0.023 4.149 4.170 0.004 0.000 0.243 337 I C 2.535 178.764 176.117 0.186 0.000 1.093 337 I CA 0.994 62.482 61.300 0.313 0.000 1.380 337 I CB -0.893 37.233 38.000 0.211 0.000 1.067 337 I HN 0.107 nan 8.210 nan 0.000 0.413 338 V N 1.709 121.577 119.914 -0.077 0.000 2.324 338 V HA -0.338 3.784 4.120 0.004 0.000 0.250 338 V C 2.403 178.424 176.094 -0.121 0.000 1.060 338 V CA 2.057 64.223 62.300 -0.224 0.000 1.042 338 V CB -1.086 30.443 31.823 -0.490 0.000 0.650 338 V HN 0.587 nan 8.190 nan 0.000 0.450 339 Y N -1.241 119.194 120.300 0.224 0.000 2.421 339 Y HA -0.144 4.408 4.550 0.003 0.000 0.292 339 Y C 2.374 178.505 175.900 0.385 0.000 1.136 339 Y CA 1.303 59.560 58.100 0.262 0.000 1.255 339 Y CB -0.317 38.294 38.460 0.252 0.000 0.991 339 Y HN 0.504 nan 8.280 nan 0.000 0.552 340 W N 0.937 122.379 121.300 0.238 0.000 2.418 340 W HA -0.059 4.603 4.660 0.004 0.000 0.292 340 W C 0.129 176.622 176.519 -0.042 0.000 1.213 340 W CA 0.464 57.814 57.345 0.009 0.000 1.283 340 W CB 0.176 29.695 29.460 0.098 0.000 1.119 340 W HN -0.097 nan 8.180 nan 0.000 0.542 341 M N 3.149 122.740 119.600 -0.015 0.000 2.664 341 M HA 0.193 4.675 4.480 0.004 0.000 0.332 341 M C -1.065 175.202 176.300 -0.054 0.000 1.354 341 M CA 0.525 55.682 55.300 -0.239 0.000 1.399 341 M CB -0.052 32.418 32.600 -0.217 0.000 1.224 341 M HN -0.074 nan 8.290 nan 0.000 0.479 342 N N 3.299 121.985 118.700 -0.023 0.000 2.521 342 N HA 0.493 5.235 4.740 0.004 0.000 0.269 342 N C -2.893 172.642 175.510 0.042 0.000 1.079 342 N CA -0.595 52.489 53.050 0.056 0.000 0.980 342 N CB 3.274 41.863 38.487 0.171 0.000 1.667 342 N HN 0.250 nan 8.380 nan 0.000 0.498 343 P HA 0.351 nan 4.420 nan 0.000 0.325 343 P C -0.221 177.101 177.300 0.037 0.000 1.298 343 P CA -0.247 62.862 63.100 0.015 0.000 0.771 343 P CB 0.790 32.487 31.700 -0.005 0.000 1.389 344 A N -0.616 122.223 122.820 0.032 0.000 2.215 344 A HA 0.235 4.557 4.320 0.004 0.000 0.208 344 A C 1.445 179.037 177.584 0.015 0.000 1.296 344 A CA 0.851 52.910 52.037 0.037 0.000 0.918 344 A CB -1.872 17.142 19.000 0.024 0.000 0.806 344 A HN 0.629 nan 8.150 nan 0.000 0.490 345 G N -0.768 108.035 108.800 0.006 0.000 3.690 345 G HA2 0.105 4.067 3.960 0.004 0.000 0.283 345 G HA3 0.105 4.067 3.960 0.004 0.000 0.283 345 G C 0.704 175.593 174.900 -0.020 0.000 1.057 345 G CA 0.244 45.332 45.100 -0.020 0.000 0.821 345 G HN 0.506 nan 8.290 nan 0.000 0.526 346 N N 1.060 119.760 118.700 0.001 0.000 2.461 346 N HA 0.086 4.829 4.740 0.004 0.000 0.188 346 N C -0.517 174.971 175.510 -0.037 0.000 1.134 346 N CA -0.682 52.388 53.050 0.033 0.000 0.878 346 N CB -0.011 38.542 38.487 0.110 0.000 0.972 346 N HN 0.133 nan 8.380 nan 0.000 0.456 347 P HA -0.091 nan 4.420 nan 0.000 0.213 347 P C 0.448 177.661 177.300 -0.145 0.000 1.170 347 P CA 1.651 64.593 63.100 -0.263 0.000 0.902 347 P CB -0.054 31.317 31.700 -0.548 0.000 0.789 348 T N -1.793 112.697 114.554 -0.106 0.000 3.206 348 T HA 0.130 4.483 4.350 0.004 0.000 0.253 348 T C 1.208 175.903 174.700 -0.010 0.000 1.042 348 T CA 0.123 62.190 62.100 -0.056 0.000 0.931 348 T CB -0.320 68.519 68.868 -0.048 0.000 1.029 348 T HN -0.114 nan 8.240 nan 0.000 0.564 349 V N -0.432 119.484 119.914 0.004 0.000 2.911 349 V HA 0.122 4.244 4.120 0.004 0.000 0.237 349 V C 2.014 178.053 176.094 -0.092 0.000 1.156 349 V CA 0.391 62.733 62.300 0.069 0.000 1.180 349 V CB -0.319 31.612 31.823 0.179 0.000 0.932 349 V HN 0.243 nan 8.190 nan 0.000 0.483 350 D N 0.154 120.501 120.400 -0.088 0.000 2.144 350 D HA -0.117 4.526 4.640 0.004 0.000 0.200 350 D C 2.214 178.428 176.300 -0.143 0.000 0.978 350 D CA 1.187 55.088 54.000 -0.165 0.000 0.833 350 D CB -0.088 40.706 40.800 -0.010 0.000 0.961 350 D HN 0.121 nan 8.370 nan 0.000 0.470 351 M N -0.142 119.422 119.600 -0.060 0.000 2.073 351 M HA -0.163 4.319 4.480 0.004 0.000 0.258 351 M C 2.238 178.520 176.300 -0.031 0.000 1.070 351 M CA 1.067 56.364 55.300 -0.006 0.000 1.103 351 M CB -0.826 31.781 32.600 0.011 0.000 1.321 351 M HN 0.150 nan 8.290 nan 0.000 0.405 352 I N 0.387 120.916 120.570 -0.067 0.000 2.252 352 I HA -0.246 3.926 4.170 0.004 0.000 0.245 352 I C 2.893 178.920 176.117 -0.149 0.000 1.102 352 I CA 1.071 62.338 61.300 -0.055 0.000 1.385 352 I CB -0.552 37.449 38.000 0.002 0.000 1.064 352 I HN 0.535 nan 8.210 nan 0.000 0.414 353 C N 0.765 119.767 119.300 -0.498 0.000 2.376 353 C HA -0.257 4.205 4.460 0.004 0.000 0.275 353 C C 2.788 177.586 174.990 -0.319 0.000 1.200 353 C CA 1.461 59.792 59.018 -1.146 0.000 1.756 353 C CB -0.924 25.744 27.740 -1.788 0.000 2.050 353 C HN 0.520 nan 8.230 nan 0.000 0.460 354 M N 0.539 120.060 119.600 -0.133 0.000 2.123 354 M HA 0.033 4.515 4.480 0.004 0.000 0.263 354 M C 2.166 178.610 176.300 0.240 0.000 1.069 354 M CA 1.631 57.007 55.300 0.128 0.000 1.133 354 M CB -1.208 31.448 32.600 0.093 0.000 1.356 354 M HN 0.461 nan 8.290 nan 0.000 0.415 355 I N -0.372 120.268 120.570 0.117 0.000 2.248 355 I HA -0.285 3.887 4.170 0.004 0.000 0.248 355 I C 2.293 178.470 176.117 0.100 0.000 1.107 355 I CA 1.023 62.382 61.300 0.100 0.000 1.373 355 I CB -0.475 37.549 38.000 0.040 0.000 1.055 355 I HN 0.048 nan 8.210 nan 0.000 0.418 356 V N 0.572 120.544 119.914 0.097 0.000 2.300 356 V HA -0.173 3.949 4.120 0.004 0.000 0.241 356 V C 2.364 178.597 176.094 0.233 0.000 1.034 356 V CA 1.031 63.419 62.300 0.148 0.000 1.021 356 V CB -0.341 31.575 31.823 0.155 0.000 0.662 356 V HN 0.194 nan 8.190 nan 0.000 0.458 357 I N 1.527 122.245 120.570 0.247 0.000 2.091 357 I HA -0.305 3.867 4.170 0.004 0.000 0.240 357 I C 2.645 178.846 176.117 0.139 0.000 1.046 357 I CA 2.528 63.991 61.300 0.272 0.000 1.306 357 I CB -2.004 36.224 38.000 0.379 0.000 1.018 357 I HN 0.426 nan 8.210 nan 0.000 0.404 358 G N 0.134 108.861 108.800 -0.121 0.000 2.459 358 G HA2 -0.328 3.634 3.960 0.004 0.000 0.217 358 G HA3 -0.328 3.634 3.960 0.004 0.000 0.217 358 G C 1.716 176.480 174.900 -0.226 0.000 1.183 358 G CA 0.808 45.437 45.100 -0.785 0.000 0.776 358 G HN 0.319 nan 8.290 nan 0.000 0.552 359 F N 1.286 121.142 119.950 -0.156 0.000 2.106 359 F HA -0.220 4.309 4.527 0.004 0.000 0.299 359 F C 2.298 178.145 175.800 0.079 0.000 1.082 359 F CA 1.943 59.931 58.000 -0.020 0.000 1.244 359 F CB -0.048 38.979 39.000 0.046 0.000 0.997 359 F HN 0.110 nan 8.300 nan 0.000 0.486 360 L N -0.804 120.560 121.223 0.235 0.000 2.470 360 L HA 0.048 4.390 4.340 0.004 0.000 0.219 360 L C 2.176 179.134 176.870 0.147 0.000 1.071 360 L CA 0.355 55.369 54.840 0.290 0.000 0.850 360 L CB -0.592 41.755 42.059 0.481 0.000 1.040 360 L HN 0.068 nan 8.230 nan 0.000 0.475 361 I N -1.158 119.459 120.570 0.078 0.000 2.381 361 I HA -0.350 3.822 4.170 0.004 0.000 0.255 361 I C 2.478 178.591 176.117 -0.006 0.000 1.140 361 I CA 1.759 63.082 61.300 0.038 0.000 1.404 361 I CB -0.728 37.292 38.000 0.033 0.000 1.075 361 I HN 0.190 nan 8.210 nan 0.000 0.433 362 Y N 2.233 122.433 120.300 -0.166 0.000 2.365 362 Y HA 0.131 4.683 4.550 0.003 0.000 0.293 362 Y C 2.475 178.223 175.900 -0.254 0.000 1.119 362 Y CA 0.529 58.506 58.100 -0.205 0.000 1.203 362 Y CB -0.705 37.635 38.460 -0.201 0.000 1.026 362 Y HN 0.098 nan 8.280 nan 0.000 0.549 363 G N 1.774 110.393 108.800 -0.302 0.000 2.649 363 G HA2 -0.323 3.639 3.960 0.004 0.000 0.220 363 G HA3 -0.323 3.639 3.960 0.004 0.000 0.220 363 G C -0.410 174.212 174.900 -0.462 0.000 1.189 363 G CA 1.376 46.153 45.100 -0.540 0.000 0.777 363 G HN 0.389 nan 8.290 nan 0.000 0.602 364 P HA 0.029 nan 4.420 nan 0.000 0.222 364 P C 2.070 179.144 177.300 -0.376 0.000 1.153 364 P CA 0.808 63.749 63.100 -0.266 0.000 0.798 364 P CB -0.096 31.516 31.700 -0.147 0.000 0.796 365 V N 0.931 120.524 119.914 -0.534 0.000 2.255 365 V HA -0.258 3.864 4.120 0.004 0.000 0.247 365 V C 2.858 178.590 176.094 -0.603 0.000 1.051 365 V CA 2.369 64.267 62.300 -0.670 0.000 1.018 365 V CB -1.167 30.152 31.823 -0.840 0.000 0.641 365 V HN 0.096 nan 8.190 nan 0.000 0.445 366 M N -0.877 118.279 119.600 -0.739 0.000 2.156 366 M HA -0.130 4.352 4.480 0.004 0.000 0.264 366 M C 2.142 178.214 176.300 -0.380 0.000 1.067 366 M CA 1.911 56.871 55.300 -0.567 0.000 1.131 366 M CB -0.137 32.123 32.600 -0.565 0.000 1.368 366 M HN 0.278 nan 8.290 nan 0.000 0.416 367 L N 1.134 122.155 121.223 -0.337 0.000 2.012 367 L HA -0.187 4.155 4.340 0.004 0.000 0.210 367 L C 2.271 179.067 176.870 -0.123 0.000 1.073 367 L CA 1.814 56.523 54.840 -0.218 0.000 0.748 367 L CB -0.939 41.006 42.059 -0.191 0.000 0.891 367 L HN 0.371 nan 8.230 nan 0.000 0.431 368 I N -1.147 119.342 120.570 -0.135 0.000 2.099 368 I HA -0.296 3.876 4.170 0.004 0.000 0.239 368 I C 2.560 178.632 176.117 -0.075 0.000 1.066 368 I CA 1.554 62.807 61.300 -0.077 0.000 1.324 368 I CB -1.278 36.640 38.000 -0.137 0.000 1.037 368 I HN 0.370 nan 8.210 nan 0.000 0.401 369 G N 1.421 110.126 108.800 -0.157 0.000 2.599 369 G HA2 -0.277 3.685 3.960 0.004 0.000 0.219 369 G HA3 -0.277 3.685 3.960 0.004 0.000 0.219 369 G C 1.708 176.524 174.900 -0.140 0.000 1.193 369 G CA 0.926 45.926 45.100 -0.165 0.000 0.778 369 G HN 0.291 nan 8.290 nan 0.000 0.589 370 L N -0.677 120.444 121.223 -0.169 0.000 2.042 370 L HA -0.158 4.184 4.340 0.004 0.000 0.210 370 L C 2.601 179.429 176.870 -0.069 0.000 1.076 370 L CA 1.805 56.556 54.840 -0.149 0.000 0.749 370 L CB -0.655 41.295 42.059 -0.180 0.000 0.893 370 L HN 0.429 nan 8.230 nan 0.000 0.432 371 H N -0.536 118.454 119.070 -0.133 0.000 2.352 371 H HA -0.205 4.353 4.556 0.004 0.000 0.299 371 H C 2.257 177.537 175.328 -0.080 0.000 1.097 371 H CA 1.321 57.309 56.048 -0.100 0.000 1.311 371 H CB 0.201 29.907 29.762 -0.093 0.000 1.377 371 H HN 0.379 nan 8.280 nan 0.000 0.504 372 A N 0.777 123.650 122.820 0.088 0.000 1.917 372 A HA -0.212 4.111 4.320 0.004 0.000 0.219 372 A C 2.438 180.029 177.584 0.012 0.000 1.182 372 A CA 1.691 53.741 52.037 0.022 0.000 0.633 372 A CB -0.993 18.000 19.000 -0.012 0.000 0.819 372 A HN 0.479 nan 8.150 nan 0.000 0.448 373 L N -0.581 120.634 121.223 -0.012 0.000 2.021 373 L HA -0.301 4.041 4.340 0.004 0.000 0.215 373 L C 2.633 179.493 176.870 -0.016 0.000 1.074 373 L CA 2.166 56.988 54.840 -0.029 0.000 0.760 373 L CB -0.610 41.416 42.059 -0.056 0.000 0.889 373 L HN 0.538 nan 8.230 nan 0.000 0.433 374 E N -0.224 119.975 120.200 -0.001 0.000 2.152 374 E HA -0.127 4.225 4.350 0.004 0.000 0.192 374 E C 1.930 178.548 176.600 0.029 0.000 0.983 374 E CA 0.629 57.032 56.400 0.006 0.000 0.818 374 E CB -0.091 29.605 29.700 -0.007 0.000 0.758 374 E HN 0.519 nan 8.360 nan 0.000 0.467 375 L N 0.699 121.950 121.223 0.048 0.000 2.711 375 L HA 0.117 4.459 4.340 0.004 0.000 0.242 375 L C 0.708 177.582 176.870 0.006 0.000 1.153 375 L CA -0.188 54.671 54.840 0.031 0.000 0.898 375 L CB -0.596 41.471 42.059 0.014 0.000 1.044 375 L HN 0.036 nan 8.230 nan 0.000 0.437 376 A N -1.244 121.580 122.820 0.007 0.000 2.564 376 A HA 0.716 5.038 4.320 0.004 0.000 0.291 376 A C -2.730 174.858 177.584 0.006 0.000 1.102 376 A CA -0.936 51.109 52.037 0.013 0.000 0.660 376 A CB 0.559 19.561 19.000 0.003 0.000 1.283 376 A HN -0.142 nan 8.150 nan 0.000 0.430 377 P HA 0.304 nan 4.420 nan 0.000 0.275 377 P C 0.324 177.570 177.300 -0.090 0.000 1.266 377 P CA -0.349 62.733 63.100 -0.031 0.000 0.793 377 P CB 0.437 32.129 31.700 -0.013 0.000 1.074 378 K N 0.447 120.792 120.400 -0.092 0.000 2.031 378 K HA -0.310 4.012 4.320 0.004 0.000 0.228 378 K C 1.795 178.331 176.600 -0.106 0.000 1.050 378 K CA 2.152 58.384 56.287 -0.091 0.000 0.980 378 K CB -0.513 31.933 32.500 -0.090 0.000 0.738 378 K HN 0.343 nan 8.250 nan 0.000 0.451 379 K N 0.247 120.551 120.400 -0.161 0.000 2.243 379 K HA 0.061 4.383 4.320 0.004 0.000 0.201 379 K C 2.201 178.730 176.600 -0.119 0.000 1.051 379 K CA 0.684 56.890 56.287 -0.134 0.000 0.970 379 K CB 0.017 32.425 32.500 -0.153 0.000 0.755 379 K HN 0.272 nan 8.250 nan 0.000 0.465 380 A N 1.547 124.267 122.820 -0.167 0.000 1.917 380 A HA -0.241 4.081 4.320 0.004 0.000 0.219 380 A C 2.296 179.860 177.584 -0.033 0.000 1.182 380 A CA 2.039 54.023 52.037 -0.088 0.000 0.633 380 A CB -0.960 18.002 19.000 -0.062 0.000 0.819 380 A HN 0.460 nan 8.150 nan 0.000 0.448 381 A N -0.552 122.243 122.820 -0.041 0.000 1.894 381 A HA -0.118 4.204 4.320 0.004 0.000 0.220 381 A C 2.561 180.139 177.584 -0.010 0.000 1.237 381 A CA 2.771 54.793 52.037 -0.026 0.000 0.660 381 A CB -1.752 17.226 19.000 -0.036 0.000 0.835 381 A HN 1.021 nan 8.150 nan 0.000 0.461 382 G N -1.030 107.766 108.800 -0.006 0.000 2.628 382 G HA2 -0.297 3.665 3.960 0.004 0.000 0.217 382 G HA3 -0.297 3.665 3.960 0.004 0.000 0.217 382 G C 1.717 176.642 174.900 0.042 0.000 1.240 382 G CA 2.698 47.809 45.100 0.018 0.000 0.792 382 G HN 0.949 nan 8.290 nan 0.000 0.593 383 T N -1.014 113.572 114.554 0.053 0.000 3.072 383 T HA 0.402 4.754 4.350 0.004 0.000 0.266 383 T C 2.367 177.148 174.700 0.134 0.000 1.127 383 T CA 1.416 63.574 62.100 0.096 0.000 1.107 383 T CB 0.020 68.958 68.868 0.117 0.000 0.910 383 T HN 0.393 nan 8.240 nan 0.000 0.513 384 A N 1.629 124.498 122.820 0.081 0.000 1.898 384 A HA 0.561 4.883 4.320 0.004 0.000 0.214 384 A C 2.701 180.337 177.584 0.087 0.000 1.183 384 A CA 1.137 53.215 52.037 0.068 0.000 0.622 384 A CB -1.157 17.847 19.000 0.008 0.000 0.824 384 A HN 0.649 nan 8.150 nan 0.000 0.444 385 A N -0.675 122.168 122.820 0.039 0.000 2.067 385 A HA 0.271 4.593 4.320 0.004 0.000 0.217 385 A C 2.201 179.792 177.584 0.011 0.000 1.156 385 A CA 1.550 53.586 52.037 -0.001 0.000 0.683 385 A CB -0.884 18.085 19.000 -0.052 0.000 0.808 385 A HN 0.611 nan 8.150 nan 0.000 0.455 386 G N -1.173 107.663 108.800 0.059 0.000 2.411 386 G HA2 -0.080 3.883 3.960 0.004 0.000 0.213 386 G HA3 -0.080 3.883 3.960 0.004 0.000 0.213 386 G C 1.381 176.335 174.900 0.090 0.000 1.166 386 G CA 0.890 46.028 45.100 0.063 0.000 0.802 386 G HN 0.468 nan 8.290 nan 0.000 0.533 387 F N 3.097 123.042 119.950 -0.007 0.000 2.120 387 F HA -0.214 4.315 4.527 0.003 0.000 0.300 387 F C 2.930 178.748 175.800 0.030 0.000 1.095 387 F CA 2.465 60.467 58.000 0.003 0.000 1.249 387 F CB -0.731 38.277 39.000 0.012 0.000 0.995 387 F HN 0.231 nan 8.300 nan 0.000 0.480 388 T N -1.617 112.884 114.554 -0.089 0.000 2.652 388 T HA -0.139 4.213 4.350 0.004 0.000 0.267 388 T C 2.374 177.015 174.700 -0.097 0.000 1.039 388 T CA 1.642 63.638 62.100 -0.173 0.000 1.153 388 T CB -1.746 67.084 68.868 -0.065 0.000 0.863 388 T HN 0.355 nan 8.240 nan 0.000 0.428 389 G N 1.449 110.233 108.800 -0.026 0.000 2.476 389 G HA2 -0.118 3.845 3.960 0.004 0.000 0.218 389 G HA3 -0.118 3.845 3.960 0.004 0.000 0.218 389 G C 1.657 176.619 174.900 0.103 0.000 1.164 389 G CA 1.052 46.191 45.100 0.064 0.000 0.768 389 G HN 0.542 nan 8.290 nan 0.000 0.560 390 L N -1.429 119.800 121.223 0.011 0.000 2.095 390 L HA 0.156 4.498 4.340 0.004 0.000 0.204 390 L C 2.586 179.438 176.870 -0.029 0.000 1.080 390 L CA 0.396 55.241 54.840 0.008 0.000 0.759 390 L CB -0.311 41.725 42.059 -0.039 0.000 0.914 390 L HN 0.163 nan 8.230 nan 0.000 0.439 391 F N 0.740 120.493 119.950 -0.329 0.000 2.126 391 F HA -0.165 4.365 4.527 0.004 0.000 0.299 391 F C 2.278 177.998 175.800 -0.133 0.000 1.096 391 F CA 1.572 59.381 58.000 -0.318 0.000 1.255 391 F CB -0.644 37.968 39.000 -0.646 0.000 0.997 391 F HN 0.004 nan 8.300 nan 0.000 0.479 392 G N -1.381 107.479 108.800 0.101 0.000 2.484 392 G HA2 -0.358 3.604 3.960 0.004 0.000 0.215 392 G HA3 -0.358 3.604 3.960 0.004 0.000 0.215 392 G C 1.564 176.620 174.900 0.260 0.000 1.219 392 G CA 1.005 46.223 45.100 0.198 0.000 0.791 392 G HN 0.413 nan 8.290 nan 0.000 0.550 393 Y N 0.649 120.984 120.300 0.059 0.000 2.145 393 Y HA -0.087 4.465 4.550 0.004 0.000 0.286 393 Y C 2.578 178.351 175.900 -0.212 0.000 1.145 393 Y CA 1.313 59.202 58.100 -0.353 0.000 1.148 393 Y CB -0.273 38.011 38.460 -0.293 0.000 0.981 393 Y HN 0.109 nan 8.280 nan 0.000 0.507 394 L N -0.005 121.218 121.223 0.001 0.000 1.941 394 L HA -0.236 4.106 4.340 0.004 0.000 0.224 394 L C 2.347 179.112 176.870 -0.175 0.000 1.081 394 L CA 2.615 57.406 54.840 -0.082 0.000 0.784 394 L CB -1.698 40.285 42.059 -0.126 0.000 0.894 394 L HN 0.453 nan 8.230 nan 0.000 0.436 395 G N -1.251 107.422 108.800 -0.210 0.000 2.433 395 G HA2 -0.231 3.731 3.960 0.004 0.000 0.216 395 G HA3 -0.231 3.731 3.960 0.004 0.000 0.216 395 G C 1.564 176.351 174.900 -0.189 0.000 1.186 395 G CA 0.883 45.860 45.100 -0.206 0.000 0.779 395 G HN 0.646 nan 8.290 nan 0.000 0.543 396 G N 0.637 109.325 108.800 -0.186 0.000 2.606 396 G HA2 -0.267 3.695 3.960 0.004 0.000 0.223 396 G HA3 -0.267 3.695 3.960 0.004 0.000 0.223 396 G C 2.090 176.891 174.900 -0.166 0.000 1.106 396 G CA 1.852 46.855 45.100 -0.161 0.000 0.745 396 G HN 0.490 nan 8.290 nan 0.000 0.597 397 S N -0.343 115.216 115.700 -0.235 0.000 2.356 397 S HA -0.006 4.466 4.470 0.004 0.000 0.219 397 S C 2.399 176.947 174.600 -0.086 0.000 1.036 397 S CA 0.733 58.831 58.200 -0.169 0.000 0.965 397 S CB -0.415 62.594 63.200 -0.319 0.000 0.864 397 S HN 0.157 nan 8.310 nan 0.000 0.471 398 V N 2.472 122.333 119.914 -0.089 0.000 2.313 398 V HA -0.318 3.804 4.120 0.004 0.000 0.253 398 V C 2.642 178.736 176.094 -0.001 0.000 1.070 398 V CA 2.088 64.370 62.300 -0.029 0.000 1.057 398 V CB -1.154 30.654 31.823 -0.024 0.000 0.653 398 V HN 0.573 nan 8.190 nan 0.000 0.450 399 A N -0.741 122.065 122.820 -0.024 0.000 1.898 399 A HA 0.087 4.409 4.320 0.004 0.000 0.214 399 A C 2.417 180.046 177.584 0.074 0.000 1.183 399 A CA 1.564 53.600 52.037 -0.001 0.000 0.622 399 A CB -0.756 18.218 19.000 -0.043 0.000 0.824 399 A HN 0.582 nan 8.150 nan 0.000 0.444 400 A N 0.349 123.211 122.820 0.070 0.000 1.948 400 A HA -0.152 4.170 4.320 0.004 0.000 0.220 400 A C 2.479 180.262 177.584 0.332 0.000 1.177 400 A CA 2.772 54.909 52.037 0.167 0.000 0.636 400 A CB -0.724 18.346 19.000 0.116 0.000 0.815 400 A HN 0.907 nan 8.150 nan 0.000 0.449 401 S N -1.104 114.710 115.700 0.190 0.000 2.433 401 S HA 0.417 4.889 4.470 0.004 0.000 0.216 401 S C 2.199 177.077 174.600 0.464 0.000 1.031 401 S CA 0.936 59.249 58.200 0.188 0.000 0.931 401 S CB -0.844 62.336 63.200 -0.035 0.000 0.875 401 S HN 0.817 nan 8.310 nan 0.000 0.553 402 A N 2.492 125.450 122.820 0.229 0.000 1.821 402 A HA 0.167 4.490 4.320 0.004 0.000 0.215 402 A C 2.256 179.865 177.584 0.042 0.000 1.214 402 A CA 1.449 53.569 52.037 0.138 0.000 0.608 402 A CB -1.286 17.734 19.000 0.033 0.000 0.862 402 A HN 0.538 nan 8.150 nan 0.000 0.448 403 I N -0.227 120.326 120.570 -0.028 0.000 2.113 403 I HA -0.303 3.869 4.170 0.004 0.000 0.242 403 I C 2.415 178.515 176.117 -0.028 0.000 1.064 403 I CA 1.667 62.931 61.300 -0.061 0.000 1.320 403 I CB -0.679 37.287 38.000 -0.056 0.000 1.028 403 I HN 0.178 nan 8.210 nan 0.000 0.406 404 V N 1.282 121.169 119.914 -0.045 0.000 2.252 404 V HA -0.313 3.809 4.120 0.004 0.000 0.249 404 V C 2.658 178.559 176.094 -0.322 0.000 1.056 404 V CA 2.442 64.561 62.300 -0.301 0.000 1.022 404 V CB -1.583 29.894 31.823 -0.577 0.000 0.641 404 V HN 0.636 nan 8.190 nan 0.000 0.445 405 G N -1.362 107.392 108.800 -0.078 0.000 2.529 405 G HA2 -0.326 3.636 3.960 0.004 0.000 0.219 405 G HA3 -0.326 3.636 3.960 0.004 0.000 0.219 405 G C 1.374 176.414 174.900 0.232 0.000 1.177 405 G CA 1.467 46.653 45.100 0.143 0.000 0.773 405 G HN 0.542 nan 8.290 nan 0.000 0.573 406 Y N 1.068 121.378 120.300 0.017 0.000 2.497 406 Y HA 0.057 4.609 4.550 0.003 0.000 0.292 406 Y C 2.813 178.708 175.900 -0.009 0.000 1.137 406 Y CA 0.984 59.106 58.100 0.036 0.000 1.285 406 Y CB -0.567 37.901 38.460 0.014 0.000 0.991 406 Y HN 0.091 nan 8.280 nan 0.000 0.556 407 T N -1.024 113.546 114.554 0.026 0.000 3.272 407 T HA 0.119 4.471 4.350 0.004 0.000 0.250 407 T C 1.429 176.074 174.700 -0.092 0.000 1.082 407 T CA 0.374 62.397 62.100 -0.128 0.000 0.968 407 T CB -0.169 68.538 68.868 -0.267 0.000 1.015 407 T HN 0.067 nan 8.240 nan 0.000 0.563 408 V N -0.153 119.750 119.914 -0.017 0.000 3.572 408 V HA 0.078 4.200 4.120 0.004 0.000 0.260 408 V C 1.856 178.042 176.094 0.153 0.000 1.324 408 V CA 0.209 62.519 62.300 0.017 0.000 1.068 408 V CB 0.472 32.237 31.823 -0.097 0.000 0.837 408 V HN 0.310 nan 8.190 nan 0.000 0.450 409 D N 0.654 121.159 120.400 0.175 0.000 2.091 409 D HA -0.076 4.566 4.640 0.004 0.000 0.199 409 D C 1.803 178.188 176.300 0.141 0.000 0.980 409 D CA 1.586 55.676 54.000 0.150 0.000 0.831 409 D CB -0.001 40.891 40.800 0.154 0.000 0.987 409 D HN 0.426 nan 8.370 nan 0.000 0.460 410 F N -0.653 119.375 119.950 0.130 0.000 2.664 410 F HA 0.141 4.670 4.527 0.003 0.000 0.296 410 F C 0.902 176.827 175.800 0.208 0.000 1.125 410 F CA 0.164 58.262 58.000 0.162 0.000 1.444 410 F CB 0.074 39.198 39.000 0.207 0.000 1.114 410 F HN -0.194 nan 8.300 nan 0.000 0.576 411 F N -1.111 118.933 119.950 0.157 0.000 2.671 411 F HA 0.650 5.179 4.527 0.003 0.000 0.373 411 F C 1.153 176.993 175.800 0.066 0.000 1.122 411 F CA -1.313 56.740 58.000 0.088 0.000 1.082 411 F CB -0.155 38.880 39.000 0.058 0.000 1.399 411 F HN -0.243 nan 8.300 nan 0.000 0.509 412 G N -0.521 108.436 108.800 0.261 0.000 2.509 412 G HA2 0.013 3.975 3.960 0.004 0.000 0.269 412 G HA3 0.013 3.975 3.960 0.004 0.000 0.269 412 G C -0.094 174.938 174.900 0.221 0.000 1.416 412 G CA -0.358 44.868 45.100 0.210 0.000 1.052 412 G HN 0.771 nan 8.290 nan 0.000 0.542 413 W N -0.233 121.129 121.300 0.104 0.000 2.737 413 W HA 0.024 4.686 4.660 0.003 0.000 0.262 413 W C 1.232 177.799 176.519 0.080 0.000 1.282 413 W CA 0.944 58.335 57.345 0.077 0.000 1.386 413 W CB 0.130 29.629 29.460 0.066 0.000 1.099 413 W HN 0.475 nan 8.180 nan 0.000 0.621 414 D N 0.410 120.966 120.400 0.260 0.000 2.104 414 D HA -0.164 4.478 4.640 0.004 0.000 0.194 414 D C 2.306 178.590 176.300 -0.027 0.000 0.994 414 D CA 2.034 56.184 54.000 0.249 0.000 0.830 414 D CB -1.170 39.965 40.800 0.558 0.000 0.959 414 D HN 0.250 nan 8.370 nan 0.000 0.452 415 G N 0.227 109.061 108.800 0.058 0.000 2.564 415 G HA2 -0.118 3.844 3.960 0.004 0.000 0.216 415 G HA3 -0.118 3.844 3.960 0.004 0.000 0.216 415 G C 1.547 176.317 174.900 -0.216 0.000 1.124 415 G CA 0.998 46.100 45.100 0.003 0.000 0.764 415 G HN 0.384 nan 8.290 nan 0.000 0.550 416 G N 0.727 109.297 108.800 -0.384 0.000 2.424 416 G HA2 -0.079 3.883 3.960 0.004 0.000 0.214 416 G HA3 -0.079 3.883 3.960 0.004 0.000 0.214 416 G C 1.421 176.091 174.900 -0.384 0.000 1.202 416 G CA 0.510 45.270 45.100 -0.568 0.000 0.793 416 G HN 0.287 nan 8.290 nan 0.000 0.534 417 F N 0.883 120.404 119.950 -0.714 0.000 2.269 417 F HA 0.047 4.576 4.527 0.003 0.000 0.301 417 F C 2.863 178.406 175.800 -0.428 0.000 1.082 417 F CA 0.525 58.120 58.000 -0.675 0.000 1.360 417 F CB -0.267 37.957 39.000 -1.294 0.000 1.041 417 F HN 0.005 nan 8.300 nan 0.000 0.512 418 M N -0.610 118.903 119.600 -0.144 0.000 2.108 418 M HA -0.184 4.298 4.480 0.004 0.000 0.261 418 M C 2.305 178.555 176.300 -0.084 0.000 1.066 418 M CA 1.320 56.591 55.300 -0.050 0.000 1.107 418 M CB -1.328 31.271 32.600 -0.001 0.000 1.356 418 M HN 0.023 nan 8.290 nan 0.000 0.406 419 V N -0.327 119.506 119.914 -0.135 0.000 2.453 419 V HA -0.218 3.904 4.120 0.004 0.000 0.247 419 V C 2.419 178.462 176.094 -0.086 0.000 1.048 419 V CA 1.246 63.481 62.300 -0.109 0.000 1.049 419 V CB -0.482 31.263 31.823 -0.129 0.000 0.672 419 V HN 0.389 nan 8.190 nan 0.000 0.457 420 M N -0.570 118.939 119.600 -0.152 0.000 2.062 420 M HA -0.089 4.393 4.480 0.004 0.000 0.259 420 M C 2.168 178.412 176.300 -0.093 0.000 1.076 420 M CA 2.122 57.334 55.300 -0.147 0.000 1.122 420 M CB -0.436 31.964 32.600 -0.334 0.000 1.312 420 M HN 0.173 nan 8.290 nan 0.000 0.412 421 I N -0.179 120.336 120.570 -0.092 0.000 2.208 421 I HA -0.250 3.922 4.170 0.004 0.000 0.245 421 I C 2.507 178.605 176.117 -0.031 0.000 1.097 421 I CA 1.525 62.816 61.300 -0.015 0.000 1.363 421 I CB -1.093 36.943 38.000 0.059 0.000 1.051 421 I HN 0.447 nan 8.210 nan 0.000 0.413 422 G N 0.575 109.342 108.800 -0.055 0.000 2.421 422 G HA2 -0.196 3.766 3.960 0.004 0.000 0.216 422 G HA3 -0.196 3.766 3.960 0.004 0.000 0.216 422 G C 1.742 176.533 174.900 -0.183 0.000 1.171 422 G CA 0.835 45.877 45.100 -0.097 0.000 0.775 422 G HN 0.492 nan 8.290 nan 0.000 0.543 423 G N 0.674 109.381 108.800 -0.155 0.000 2.505 423 G HA2 -0.233 3.729 3.960 0.004 0.000 0.220 423 G HA3 -0.233 3.729 3.960 0.004 0.000 0.220 423 G C 2.156 176.949 174.900 -0.177 0.000 1.145 423 G CA 1.610 46.579 45.100 -0.219 0.000 0.761 423 G HN 0.436 nan 8.290 nan 0.000 0.571 424 S N 0.478 116.151 115.700 -0.044 0.000 2.356 424 S HA -0.058 4.414 4.470 0.004 0.000 0.223 424 S C 2.297 176.864 174.600 -0.055 0.000 1.032 424 S CA 1.002 59.199 58.200 -0.005 0.000 1.005 424 S CB -0.267 62.943 63.200 0.018 0.000 0.867 424 S HN 0.409 nan 8.310 nan 0.000 0.449 425 I N 1.233 121.754 120.570 -0.082 0.000 2.143 425 I HA -0.278 3.894 4.170 0.004 0.000 0.245 425 I C 1.977 178.020 176.117 -0.124 0.000 1.068 425 I CA 1.234 62.482 61.300 -0.086 0.000 1.326 425 I CB -0.488 37.460 38.000 -0.087 0.000 1.028 425 I HN 0.220 nan 8.210 nan 0.000 0.412 426 L N 0.493 121.578 121.223 -0.229 0.000 2.056 426 L HA -0.121 4.221 4.340 0.004 0.000 0.207 426 L C 2.742 179.541 176.870 -0.120 0.000 1.078 426 L CA 1.817 56.517 54.840 -0.235 0.000 0.749 426 L CB -1.007 40.788 42.059 -0.441 0.000 0.901 426 L HN 0.201 nan 8.230 nan 0.000 0.433 427 A N -0.639 122.142 122.820 -0.064 0.000 1.958 427 A HA -0.215 4.107 4.320 0.004 0.000 0.221 427 A C 2.447 180.036 177.584 0.009 0.000 1.178 427 A CA 2.361 54.427 52.037 0.048 0.000 0.642 427 A CB -1.008 18.045 19.000 0.089 0.000 0.816 427 A HN 0.219 nan 8.150 nan 0.000 0.453 428 V N -0.326 119.580 119.914 -0.013 0.000 2.302 428 V HA -0.199 3.923 4.120 0.004 0.000 0.243 428 V C 2.403 178.478 176.094 -0.032 0.000 1.036 428 V CA 1.841 64.134 62.300 -0.011 0.000 1.020 428 V CB -0.547 31.273 31.823 -0.005 0.000 0.657 428 V HN 0.585 nan 8.190 nan 0.000 0.453 429 I N -0.365 120.173 120.570 -0.054 0.000 2.194 429 I HA -0.321 3.851 4.170 0.004 0.000 0.246 429 I C 2.310 178.375 176.117 -0.087 0.000 1.093 429 I CA 1.745 63.002 61.300 -0.071 0.000 1.355 429 I CB -0.319 37.628 38.000 -0.088 0.000 1.046 429 I HN 0.257 nan 8.210 nan 0.000 0.413 430 L N -0.588 120.584 121.223 -0.086 0.000 2.056 430 L HA -0.213 4.129 4.340 0.004 0.000 0.207 430 L C 2.402 179.237 176.870 -0.059 0.000 1.078 430 L CA 0.852 55.632 54.840 -0.101 0.000 0.749 430 L CB -0.384 41.657 42.059 -0.029 0.000 0.901 430 L HN 0.242 nan 8.230 nan 0.000 0.433 431 L N -0.469 120.736 121.223 -0.029 0.000 2.265 431 L HA -0.199 4.143 4.340 0.004 0.000 0.215 431 L C 2.199 179.053 176.870 -0.027 0.000 1.117 431 L CA 1.459 56.284 54.840 -0.025 0.000 0.782 431 L CB -0.358 41.696 42.059 -0.007 0.000 0.914 431 L HN 0.124 nan 8.230 nan 0.000 0.441 432 I N -1.614 118.934 120.570 -0.037 0.000 2.193 432 I HA -0.177 3.995 4.170 0.004 0.000 0.240 432 I C 2.475 178.571 176.117 -0.036 0.000 1.084 432 I CA 1.079 62.358 61.300 -0.035 0.000 1.365 432 I CB -1.273 36.701 38.000 -0.043 0.000 1.064 432 I HN 0.029 nan 8.210 nan 0.000 0.410 433 V N 1.752 121.626 119.914 -0.067 0.000 2.278 433 V HA -0.269 3.853 4.120 0.004 0.000 0.251 433 V C 2.748 178.846 176.094 0.007 0.000 1.062 433 V CA 2.139 64.397 62.300 -0.070 0.000 1.038 433 V CB -1.339 30.354 31.823 -0.217 0.000 0.646 433 V HN 0.393 nan 8.190 nan 0.000 0.447 434 V N -2.524 117.404 119.914 0.024 0.000 2.688 434 V HA -0.303 3.819 4.120 0.004 0.000 0.256 434 V C 2.196 178.308 176.094 0.031 0.000 1.084 434 V CA 2.283 64.612 62.300 0.049 0.000 1.103 434 V CB -0.957 30.838 31.823 -0.046 0.000 0.688 434 V HN 0.472 nan 8.190 nan 0.000 0.480 435 M N -0.573 119.042 119.600 0.024 0.000 2.160 435 M HA 0.068 4.550 4.480 0.004 0.000 0.264 435 M C 2.152 178.469 176.300 0.028 0.000 1.073 435 M CA 1.854 57.178 55.300 0.041 0.000 1.142 435 M CB -0.131 32.481 32.600 0.020 0.000 1.358 435 M HN 0.314 nan 8.290 nan 0.000 0.422 436 I N -0.329 120.251 120.570 0.017 0.000 2.142 436 I HA -0.226 3.946 4.170 0.004 0.000 0.240 436 I C 2.257 178.395 176.117 0.036 0.000 1.078 436 I CA 1.708 63.018 61.300 0.017 0.000 1.343 436 I CB -0.545 37.459 38.000 0.006 0.000 1.046 436 I HN 0.368 nan 8.210 nan 0.000 0.405 437 G N 0.735 109.566 108.800 0.053 0.000 2.476 437 G HA2 -0.356 3.606 3.960 0.004 0.000 0.218 437 G HA3 -0.356 3.606 3.960 0.004 0.000 0.218 437 G C 1.410 176.349 174.900 0.065 0.000 1.164 437 G CA 1.164 46.306 45.100 0.071 0.000 0.768 437 G HN 0.668 nan 8.290 nan 0.000 0.560 438 E N 0.366 120.606 120.200 0.065 0.000 2.118 438 E HA -0.168 4.184 4.350 0.004 0.000 0.195 438 E C 2.257 178.898 176.600 0.067 0.000 0.992 438 E CA 1.333 57.773 56.400 0.067 0.000 0.804 438 E CB -0.275 29.476 29.700 0.084 0.000 0.741 438 E HN 0.423 nan 8.360 nan 0.000 0.458 439 K N 0.246 120.676 120.400 0.050 0.000 2.116 439 K HA 0.036 4.358 4.320 0.004 0.000 0.203 439 K C 2.403 179.054 176.600 0.085 0.000 1.052 439 K CA 0.648 56.964 56.287 0.048 0.000 0.952 439 K CB 0.061 32.565 32.500 0.007 0.000 0.729 439 K HN 0.045 nan 8.250 nan 0.000 0.446 440 R N 0.442 120.980 120.500 0.063 0.000 2.081 440 R HA -0.128 4.214 4.340 0.004 0.000 0.235 440 R C 2.362 178.700 176.300 0.063 0.000 1.131 440 R CA 1.394 57.528 56.100 0.057 0.000 0.960 440 R CB -0.174 30.151 30.300 0.041 0.000 0.856 440 R HN 0.131 nan 8.270 nan 0.000 0.436 441 R N 0.092 120.632 120.500 0.068 0.000 2.091 441 R HA -0.221 4.121 4.340 0.004 0.000 0.238 441 R C 2.353 178.694 176.300 0.068 0.000 1.136 441 R CA 1.837 57.971 56.100 0.057 0.000 0.959 441 R CB -0.475 29.860 30.300 0.058 0.000 0.856 441 R HN 0.400 nan 8.270 nan 0.000 0.437 442 H N 0.638 119.711 119.070 0.005 0.000 2.353 442 H HA -0.115 4.443 4.556 0.004 0.000 0.300 442 H C 1.408 176.736 175.328 -0.001 0.000 1.090 442 H CA 2.087 58.136 56.048 0.001 0.000 1.327 442 H CB 0.078 29.840 29.762 0.000 0.000 1.383 442 H HN 0.434 nan 8.280 nan 0.000 0.508 443 E N 0.307 120.537 120.200 0.051 0.000 2.160 443 E HA -0.186 4.166 4.350 0.004 0.000 0.195 443 E C 2.320 178.885 176.600 -0.058 0.000 0.991 443 E CA 0.821 57.218 56.400 -0.006 0.000 0.810 443 E CB 0.006 29.733 29.700 0.044 0.000 0.742 443 E HN 0.665 nan 8.360 nan 0.000 0.466 444 Q N 0.237 120.010 119.800 -0.045 0.000 2.291 444 Q HA -0.069 4.273 4.340 0.004 0.000 0.205 444 Q C 2.151 178.111 176.000 -0.066 0.000 0.970 444 Q CA 0.525 56.302 55.803 -0.044 0.000 0.876 444 Q CB -0.012 28.712 28.738 -0.023 0.000 0.935 444 Q HN 0.371 nan 8.270 nan 0.000 0.455 445 L N 0.538 121.695 121.223 -0.109 0.000 2.349 445 L HA -0.194 4.148 4.340 0.004 0.000 0.220 445 L C 2.175 178.993 176.870 -0.087 0.000 1.130 445 L CA 0.683 55.460 54.840 -0.105 0.000 0.791 445 L CB -0.466 41.499 42.059 -0.157 0.000 0.918 445 L HN 0.340 nan 8.230 nan 0.000 0.444 446 L N -0.307 120.863 121.223 -0.088 0.000 2.083 446 L HA -0.250 4.092 4.340 0.004 0.000 0.209 446 L C 2.515 179.360 176.870 -0.042 0.000 1.083 446 L CA 1.411 56.214 54.840 -0.062 0.000 0.752 446 L CB -0.149 41.879 42.059 -0.051 0.000 0.899 446 L HN 0.419 nan 8.230 nan 0.000 0.433 447 Q N -0.936 118.842 119.800 -0.038 0.000 2.436 447 Q HA -0.142 4.201 4.340 0.004 0.000 0.209 447 Q C 1.681 177.665 176.000 -0.027 0.000 0.965 447 Q CA 0.382 56.169 55.803 -0.028 0.000 0.910 447 Q CB 0.080 28.803 28.738 -0.024 0.000 0.980 447 Q HN 0.389 nan 8.270 nan 0.000 0.491 448 E N 1.029 121.209 120.200 -0.032 0.000 2.153 448 E HA -0.133 4.219 4.350 0.004 0.000 0.194 448 E C 1.899 178.485 176.600 -0.024 0.000 0.988 448 E CA 0.902 57.285 56.400 -0.028 0.000 0.811 448 E CB -0.041 29.639 29.700 -0.033 0.000 0.746 448 E HN 0.455 nan 8.360 nan 0.000 0.466 449 L N -0.033 121.176 121.223 -0.025 0.000 2.179 449 L HA -0.084 4.259 4.340 0.004 0.000 0.208 449 L C 2.418 179.278 176.870 -0.017 0.000 1.096 449 L CA 0.211 55.039 54.840 -0.020 0.000 0.779 449 L CB -0.643 41.404 42.059 -0.020 0.000 0.922 449 L HN -0.067 nan 8.230 nan 0.000 0.443 450 V N -0.049 119.855 119.914 -0.017 0.000 2.230 450 V HA -0.273 3.850 4.120 0.004 0.000 0.256 450 V C 0.058 176.144 176.094 -0.012 0.000 1.064 450 V CA 1.587 63.878 62.300 -0.015 0.000 1.050 450 V CB -2.186 29.628 31.823 -0.015 0.000 0.666 450 V HN 0.469 nan 8.190 nan 0.000 0.457 451 P HA 0.000 nan 4.420 nan 0.000 0.216 451 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 451 P CB 0.000 31.693 31.700 -0.011 0.000 0.726