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 3euq_1_A DATA FIRST_RESID 10 DATA SEQUENCE LGLSITGLGV QYPPYSLGPD AIDILSKRYH PESPAMKKVL AINRYTGIDQ DATA SEQUENCE RSSIGNPDHP LVNKPNPPTV KELHEVFMSD GVPLAVEASR KAMAEARLVP DATA SEQUENCE AQITHMVSTT CTDSANPGYD HYVAKELGLS DRLEKVLLHG IGXSGGLAAL DATA SEQUENCE RTAANLCLGH TARGKPARIL VLALEVSTTM VRSELESIDA LQETRIGIAL DATA SEQUENCE FSDCASAVIL SNGIGEAPGK PAIYDLLGWE NRVIPDSEHD LGGDVDPMGW DATA SEQUENCE KVVLSPRVPV LAKASLQPTY ADLLSSLQDQ LPSSYQKPAD FDWAMHPGGA DATA SEQUENCE TILSGAESAM GLTPEHMRAS YDRYINHGNS SSATIFSVLN RLREKDMDAL DATA SEQUENCE APGGKVKEYV VGCAFGPGIN VEMCMLKRR 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.903 176.870 0.055 0.000 1.165 10 L CA 0.000 54.869 54.840 0.048 0.000 0.813 10 L CB 0.000 42.109 42.059 0.084 0.000 0.961 11 G N 1.869 110.695 108.800 0.044 0.000 2.176 11 G HA2 -0.267 3.706 3.960 0.021 0.000 0.252 11 G HA3 -0.267 3.706 3.960 0.021 0.000 0.252 11 G C -0.083 174.841 174.900 0.040 0.000 1.024 11 G CA 0.415 45.537 45.100 0.037 0.000 0.755 11 G HN 0.195 nan 8.290 nan 0.000 0.507 12 L N 1.379 122.636 121.223 0.057 0.000 2.282 12 L HA 0.682 5.034 4.340 0.021 0.000 0.288 12 L C 0.512 177.408 176.870 0.043 0.000 1.033 12 L CA -0.204 54.668 54.840 0.053 0.000 0.807 12 L CB 1.856 43.972 42.059 0.096 0.000 1.209 12 L HN 0.412 nan 8.230 nan 0.000 0.423 13 S N 2.936 118.647 115.700 0.019 0.000 2.540 13 S HA 0.641 5.124 4.470 0.021 0.000 0.275 13 S C -0.743 173.859 174.600 0.002 0.000 1.123 13 S CA -0.834 57.377 58.200 0.019 0.000 0.907 13 S CB 1.698 64.903 63.200 0.008 0.000 1.081 13 S HN 0.425 nan 8.310 nan 0.000 0.476 14 I N 3.203 123.790 120.570 0.027 0.000 2.322 14 I HA 0.206 4.389 4.170 0.021 0.000 0.292 14 I C 1.398 177.515 176.117 -0.001 0.000 1.060 14 I CA -0.312 60.994 61.300 0.010 0.000 1.309 14 I CB 1.285 39.328 38.000 0.072 0.000 1.415 14 I HN 1.016 nan 8.210 nan 0.000 0.492 15 T N 1.068 115.604 114.554 -0.030 0.000 3.022 15 T HA 0.316 4.678 4.350 0.021 0.000 0.250 15 T C 0.664 175.340 174.700 -0.040 0.000 1.060 15 T CA -0.111 61.967 62.100 -0.036 0.000 1.013 15 T CB 0.444 69.293 68.868 -0.032 0.000 0.982 15 T HN 0.650 nan 8.240 nan 0.000 0.508 16 G N 0.711 109.484 108.800 -0.044 0.000 2.742 16 G HA2 0.595 4.567 3.960 0.021 0.000 0.296 16 G HA3 0.595 4.567 3.960 0.021 0.000 0.296 16 G C -2.146 172.723 174.900 -0.052 0.000 1.436 16 G CA -0.887 44.188 45.100 -0.042 0.000 0.928 16 G HN 0.228 nan 8.290 nan 0.000 0.520 17 L N 0.369 121.573 121.223 -0.032 0.000 2.401 17 L HA 0.917 5.270 4.340 0.021 0.000 0.266 17 L C 0.445 177.308 176.870 -0.012 0.000 0.991 17 L CA -0.460 54.359 54.840 -0.034 0.000 0.818 17 L CB 2.611 44.679 42.059 0.015 0.000 1.321 17 L HN 0.910 nan 8.230 nan 0.000 0.413 18 G N 0.796 109.589 108.800 -0.011 0.000 2.719 18 G HA2 0.725 4.698 3.960 0.021 0.000 0.298 18 G HA3 0.725 4.698 3.960 0.021 0.000 0.298 18 G C -1.995 172.906 174.900 0.000 0.000 1.411 18 G CA -0.559 44.541 45.100 -0.001 0.000 0.991 18 G HN 0.342 nan 8.290 nan 0.000 0.509 19 V N 0.730 120.633 119.914 -0.017 0.000 2.760 19 V HA 0.666 4.799 4.120 0.021 0.000 0.309 19 V C -0.809 175.225 176.094 -0.101 0.000 1.077 19 V CA -0.776 61.475 62.300 -0.081 0.000 0.910 19 V CB 2.016 33.788 31.823 -0.086 0.000 1.008 19 V HN 0.812 nan 8.190 nan 0.000 0.424 20 Q N 2.853 122.546 119.800 -0.179 0.000 2.294 20 Q HA 0.528 4.881 4.340 0.021 0.000 0.264 20 Q C -1.819 174.058 176.000 -0.204 0.000 0.992 20 Q CA -0.327 55.404 55.803 -0.120 0.000 0.747 20 Q CB 1.299 29.999 28.738 -0.062 0.000 1.262 20 Q HN 0.626 nan 8.270 nan 0.000 0.452 21 Y N 4.199 124.477 120.300 -0.035 0.000 2.301 21 Y HA 0.429 4.992 4.550 0.022 0.000 0.328 21 Y C -1.596 174.311 175.900 0.011 0.000 1.242 21 Y CA -1.647 56.442 58.100 -0.019 0.000 1.323 21 Y CB 0.452 38.901 38.460 -0.019 0.000 1.266 21 Y HN 0.564 nan 8.280 nan 0.000 0.527 22 P HA 0.054 nan 4.420 nan 0.000 0.274 22 P C -2.248 175.139 177.300 0.145 0.000 1.260 22 P CA -1.156 62.032 63.100 0.147 0.000 0.793 22 P CB 0.382 32.173 31.700 0.152 0.000 1.048 23 P HA 0.008 nan 4.420 nan 0.000 0.225 23 P C -0.221 176.957 177.300 -0.203 0.000 1.156 23 P CA 1.295 64.337 63.100 -0.097 0.000 0.787 23 P CB -0.118 31.431 31.700 -0.252 0.000 0.802 24 Y N -1.122 119.210 120.300 0.053 0.000 2.387 24 Y HA 0.491 5.053 4.550 0.021 0.000 0.336 24 Y C 0.635 176.553 175.900 0.029 0.000 1.067 24 Y CA -0.677 57.446 58.100 0.038 0.000 1.114 24 Y CB 1.497 39.980 38.460 0.039 0.000 1.208 24 Y HN -0.364 nan 8.280 nan 0.000 0.458 25 S N 3.878 119.664 115.700 0.144 0.000 2.596 25 S HA 0.572 5.054 4.470 0.021 0.000 0.318 25 S C -0.959 173.673 174.600 0.055 0.000 1.097 25 S CA -0.696 57.536 58.200 0.054 0.000 1.080 25 S CB 0.231 63.414 63.200 -0.027 0.000 0.991 25 S HN 0.439 nan 8.310 nan 0.000 0.471 26 L N 2.929 124.175 121.223 0.039 0.000 2.307 26 L HA 0.648 5.001 4.340 0.021 0.000 0.284 26 L C 1.056 177.920 176.870 -0.010 0.000 1.023 26 L CA -0.783 54.074 54.840 0.027 0.000 0.810 26 L CB 1.383 43.461 42.059 0.032 0.000 1.231 26 L HN 0.691 nan 8.230 nan 0.000 0.423 27 G N 1.884 110.678 108.800 -0.011 0.000 2.563 27 G HA2 0.298 4.271 3.960 0.021 0.000 0.283 27 G HA3 0.298 4.271 3.960 0.021 0.000 0.283 27 G C -1.584 173.300 174.900 -0.028 0.000 1.309 27 G CA -0.837 44.246 45.100 -0.028 0.000 1.022 27 G HN 0.512 nan 8.290 nan 0.000 0.501 28 P HA -0.070 nan 4.420 nan 0.000 0.225 28 P C 0.889 178.172 177.300 -0.029 0.000 1.148 28 P CA 1.275 64.350 63.100 -0.040 0.000 0.779 28 P CB 0.116 31.786 31.700 -0.049 0.000 0.780 29 D N 0.109 120.497 120.400 -0.019 0.000 2.317 29 D HA -0.043 4.610 4.640 0.021 0.000 0.211 29 D C 1.773 178.072 176.300 -0.002 0.000 0.966 29 D CA 0.742 54.734 54.000 -0.012 0.000 0.876 29 D CB -0.710 40.085 40.800 -0.009 0.000 0.927 29 D HN 0.085 nan 8.370 nan 0.000 0.519 30 A N 2.076 124.897 122.820 0.001 0.000 1.892 30 A HA -0.167 4.166 4.320 0.021 0.000 0.218 30 A C 2.470 180.066 177.584 0.021 0.000 1.188 30 A CA 2.136 54.181 52.037 0.012 0.000 0.631 30 A CB -0.985 18.023 19.000 0.013 0.000 0.822 30 A HN 0.497 nan 8.150 nan 0.000 0.447 31 I N -2.936 117.644 120.570 0.017 0.000 2.439 31 I HA -0.108 4.075 4.170 0.021 0.000 0.251 31 I C 1.419 177.554 176.117 0.030 0.000 1.139 31 I CA 1.889 63.207 61.300 0.030 0.000 1.438 31 I CB -0.522 37.492 38.000 0.023 0.000 1.085 31 I HN 0.034 nan 8.210 nan 0.000 0.427 32 D N 2.026 122.432 120.400 0.010 0.000 2.123 32 D HA -0.162 4.490 4.640 0.021 0.000 0.196 32 D C 2.287 178.593 176.300 0.010 0.000 0.992 32 D CA 1.440 55.443 54.000 0.005 0.000 0.833 32 D CB -0.149 40.646 40.800 -0.009 0.000 0.954 32 D HN 0.335 nan 8.370 nan 0.000 0.455 33 I N 0.528 121.103 120.570 0.009 0.000 2.142 33 I HA -0.190 3.993 4.170 0.021 0.000 0.240 33 I C 2.570 178.691 176.117 0.006 0.000 1.078 33 I CA 0.853 62.153 61.300 0.000 0.000 1.343 33 I CB -1.147 36.855 38.000 0.004 0.000 1.046 33 I HN 0.074 nan 8.210 nan 0.000 0.405 34 L N -0.327 120.928 121.223 0.054 0.000 2.083 34 L HA -0.202 4.151 4.340 0.021 0.000 0.209 34 L C 2.732 179.699 176.870 0.163 0.000 1.083 34 L CA 1.201 56.121 54.840 0.133 0.000 0.752 34 L CB -0.436 41.727 42.059 0.173 0.000 0.899 34 L HN 0.231 nan 8.230 nan 0.000 0.433 35 S N -0.057 115.719 115.700 0.126 0.000 2.348 35 S HA -0.255 4.228 4.470 0.021 0.000 0.221 35 S C 2.080 176.741 174.600 0.102 0.000 1.033 35 S CA 1.708 60.004 58.200 0.161 0.000 1.010 35 S CB -0.065 63.196 63.200 0.101 0.000 0.891 35 S HN 0.299 nan 8.310 nan 0.000 0.442 36 K N 0.607 121.021 120.400 0.023 0.000 2.103 36 K HA -0.112 4.221 4.320 0.021 0.000 0.207 36 K C 2.440 178.972 176.600 -0.112 0.000 1.048 36 K CA 1.284 57.556 56.287 -0.025 0.000 0.930 36 K CB -0.208 32.272 32.500 -0.034 0.000 0.716 36 K HN 0.243 nan 8.250 nan 0.000 0.444 37 R N -0.967 119.405 120.500 -0.213 0.000 2.091 37 R HA -0.163 4.190 4.340 0.021 0.000 0.238 37 R C 1.178 177.039 176.300 -0.732 0.000 1.136 37 R CA 1.882 57.661 56.100 -0.534 0.000 0.959 37 R CB -0.041 29.803 30.300 -0.759 0.000 0.856 37 R HN 0.302 nan 8.270 nan 0.000 0.437 38 Y N -2.377 117.844 120.300 -0.132 0.000 2.445 38 Y HA 0.272 4.834 4.550 0.021 0.000 0.247 38 Y C -0.354 175.129 175.900 -0.695 0.000 1.129 38 Y CA -0.188 57.688 58.100 -0.373 0.000 1.251 38 Y CB 0.740 38.962 38.460 -0.397 0.000 1.176 38 Y HN 0.045 nan 8.280 nan 0.000 0.522 39 H N -1.200 117.923 119.070 0.089 0.000 2.865 39 H HA 0.401 4.970 4.556 0.021 0.000 0.362 39 H C -2.667 172.675 175.328 0.023 0.000 1.114 39 H CA -2.198 53.887 56.048 0.061 0.000 1.208 39 H CB 1.760 31.562 29.762 0.066 0.000 1.727 39 H HN -0.185 nan 8.280 nan 0.000 0.534 40 P HA 0.096 nan 4.420 nan 0.000 0.274 40 P C -0.647 176.698 177.300 0.074 0.000 1.237 40 P CA -0.714 62.429 63.100 0.072 0.000 0.793 40 P CB 0.694 32.426 31.700 0.053 0.000 0.977 41 E N 0.295 120.521 120.200 0.044 0.000 2.568 41 E HA 0.279 4.642 4.350 0.021 0.000 0.262 41 E C 0.184 176.801 176.600 0.029 0.000 0.961 41 E CA 0.517 56.936 56.400 0.032 0.000 0.945 41 E CB -0.288 29.423 29.700 0.019 0.000 0.924 41 E HN 0.439 nan 8.360 nan 0.000 0.467 42 S N 1.074 116.786 115.700 0.020 0.000 2.607 42 S HA 0.516 4.999 4.470 0.021 0.000 0.273 42 S C -2.316 172.288 174.600 0.007 0.000 1.148 42 S CA -1.541 56.666 58.200 0.013 0.000 0.833 42 S CB 1.818 65.023 63.200 0.008 0.000 1.130 42 S HN 0.131 nan 8.310 nan 0.000 0.470 43 P HA -0.027 nan 4.420 nan 0.000 0.215 43 P C 1.583 178.884 177.300 0.003 0.000 1.157 43 P CA 2.207 65.311 63.100 0.006 0.000 0.868 43 P CB -0.182 31.523 31.700 0.008 0.000 0.788 44 A N -1.221 121.598 122.820 -0.002 0.000 1.898 44 A HA -0.178 4.154 4.320 0.021 0.000 0.216 44 A C 2.245 179.821 177.584 -0.013 0.000 1.181 44 A CA 1.939 53.972 52.037 -0.007 0.000 0.620 44 A CB -1.447 17.546 19.000 -0.012 0.000 0.819 44 A HN 0.084 nan 8.150 nan 0.000 0.442 45 M N 0.083 119.672 119.600 -0.020 0.000 2.080 45 M HA -0.158 4.334 4.480 0.021 0.000 0.260 45 M C 1.853 178.144 176.300 -0.015 0.000 1.068 45 M CA 1.956 57.244 55.300 -0.021 0.000 1.109 45 M CB -0.477 32.114 32.600 -0.014 0.000 1.342 45 M HN 0.369 nan 8.290 nan 0.000 0.405 46 K N -0.577 119.818 120.400 -0.008 0.000 2.063 46 K HA -0.174 4.159 4.320 0.021 0.000 0.208 46 K C 1.866 178.456 176.600 -0.017 0.000 1.048 46 K CA 1.302 57.584 56.287 -0.009 0.000 0.928 46 K CB -0.080 32.421 32.500 0.002 0.000 0.713 46 K HN 0.180 nan 8.250 nan 0.000 0.442 47 K N 0.424 120.819 120.400 -0.007 0.000 2.057 47 K HA -0.069 4.263 4.320 0.021 0.000 0.206 47 K C 2.112 178.692 176.600 -0.033 0.000 1.050 47 K CA 0.875 57.162 56.287 -0.000 0.000 0.935 47 K CB -0.616 31.896 32.500 0.020 0.000 0.715 47 K HN -0.007 nan 8.250 nan 0.000 0.439 48 V N 1.871 121.764 119.914 -0.035 0.000 2.343 48 V HA -0.191 3.942 4.120 0.021 0.000 0.247 48 V C 2.394 178.434 176.094 -0.090 0.000 1.051 48 V CA 1.400 63.671 62.300 -0.049 0.000 1.036 48 V CB -0.451 31.355 31.823 -0.028 0.000 0.654 48 V HN 0.173 nan 8.190 nan 0.000 0.451 49 L N -0.078 121.096 121.223 -0.080 0.000 2.131 49 L HA -0.136 4.217 4.340 0.021 0.000 0.210 49 L C 2.672 179.430 176.870 -0.186 0.000 1.092 49 L CA 1.378 56.158 54.840 -0.099 0.000 0.759 49 L CB -0.768 41.257 42.059 -0.057 0.000 0.903 49 L HN 0.368 nan 8.230 nan 0.000 0.435 50 A N 0.477 123.161 122.820 -0.227 0.000 1.873 50 A HA -0.144 4.189 4.320 0.021 0.000 0.215 50 A C 2.201 179.187 177.584 -0.998 0.000 1.186 50 A CA 1.269 53.038 52.037 -0.447 0.000 0.616 50 A CB -0.582 18.292 19.000 -0.210 0.000 0.823 50 A HN 0.315 nan 8.150 nan 0.000 0.442 51 I N 0.194 120.403 120.570 -0.602 0.000 2.264 51 I HA -0.287 3.896 4.170 0.021 0.000 0.248 51 I C 2.328 178.239 176.117 -0.344 0.000 1.111 51 I CA 1.571 62.604 61.300 -0.444 0.000 1.382 51 I CB -0.448 37.501 38.000 -0.084 0.000 1.060 51 I HN 0.404 nan 8.210 nan 0.000 0.418 52 N N 1.437 119.977 118.700 -0.267 0.000 2.258 52 N HA -0.203 4.550 4.740 0.021 0.000 0.187 52 N C 1.665 177.075 175.510 -0.167 0.000 1.012 52 N CA 1.513 54.463 53.050 -0.167 0.000 0.870 52 N CB -0.032 38.380 38.487 -0.126 0.000 0.977 52 N HN 0.280 nan 8.380 nan 0.000 0.434 53 R N -1.505 118.831 120.500 -0.273 0.000 2.362 53 R HA 0.114 4.467 4.340 0.021 0.000 0.227 53 R C 0.372 176.686 176.300 0.023 0.000 0.905 53 R CA 0.036 56.049 56.100 -0.145 0.000 1.067 53 R CB 0.254 30.473 30.300 -0.136 0.000 1.078 53 R HN 0.280 nan 8.270 nan 0.000 0.516 54 Y N -0.213 120.086 120.300 -0.000 0.000 2.457 54 Y HA 0.073 4.622 4.550 -0.001 0.000 0.263 54 Y C 2.247 178.163 175.900 0.026 0.000 1.164 54 Y CA 0.051 58.157 58.100 0.010 0.000 1.274 54 Y CB -0.328 38.136 38.460 0.006 0.000 1.097 54 Y HN 0.032 nan 8.280 nan 0.000 0.523 55 T N -3.942 110.696 114.554 0.140 0.000 2.857 55 T HA 0.160 4.523 4.350 0.021 0.000 0.266 55 T C 2.021 176.828 174.700 0.179 0.000 1.048 55 T CA 1.066 63.244 62.100 0.130 0.000 1.139 55 T CB -0.542 68.340 68.868 0.024 0.000 0.874 55 T HN 0.419 nan 8.240 nan 0.000 0.455 56 G N 1.393 110.254 108.800 0.103 0.000 2.132 56 G HA2 -0.188 3.784 3.960 0.021 0.000 0.234 56 G HA3 -0.188 3.784 3.960 0.021 0.000 0.234 56 G C -0.007 174.877 174.900 -0.026 0.000 0.989 56 G CA 0.015 45.182 45.100 0.112 0.000 0.676 56 G HN 0.675 nan 8.290 nan 0.000 0.522 57 I N 1.016 121.466 120.570 -0.199 0.000 2.312 57 I HA 0.230 4.412 4.170 0.021 0.000 0.291 57 I C 1.364 177.373 176.117 -0.181 0.000 1.031 57 I CA -0.521 60.567 61.300 -0.353 0.000 1.293 57 I CB 1.217 38.940 38.000 -0.461 0.000 1.403 57 I HN 0.068 nan 8.210 nan 0.000 0.484 58 D N 4.487 124.796 120.400 -0.153 0.000 2.084 58 D HA -0.069 4.584 4.640 0.021 0.000 0.199 58 D C 0.448 176.677 176.300 -0.119 0.000 0.981 58 D CA 1.744 55.679 54.000 -0.107 0.000 0.841 58 D CB 0.422 41.167 40.800 -0.092 0.000 0.997 58 D HN 0.547 nan 8.370 nan 0.000 0.454 59 Q N -0.862 118.844 119.800 -0.157 0.000 2.423 59 Q HA 0.546 4.899 4.340 0.021 0.000 0.278 59 Q C -0.978 174.930 176.000 -0.154 0.000 1.097 59 Q CA -0.726 54.990 55.803 -0.144 0.000 0.809 59 Q CB 2.681 31.329 28.738 -0.151 0.000 1.391 59 Q HN -0.066 nan 8.270 nan 0.000 0.428 60 R N 0.707 121.155 120.500 -0.086 0.000 2.480 60 R HA 0.481 4.834 4.340 0.021 0.000 0.306 60 R C -0.968 175.350 176.300 0.031 0.000 0.958 60 R CA -0.541 55.541 56.100 -0.030 0.000 0.861 60 R CB 2.073 32.368 30.300 -0.009 0.000 1.171 60 R HN 0.535 nan 8.270 nan 0.000 0.445 61 S N 1.140 116.896 115.700 0.093 0.000 2.531 61 S HA 0.171 4.654 4.470 0.021 0.000 0.279 61 S C -0.182 174.519 174.600 0.168 0.000 1.305 61 S CA 0.163 58.465 58.200 0.170 0.000 1.058 61 S CB 1.051 64.439 63.200 0.313 0.000 0.899 61 S HN 0.515 nan 8.310 nan 0.000 0.493 62 S N 1.236 117.037 115.700 0.169 0.000 2.569 62 S HA 0.406 4.888 4.470 0.021 0.000 0.280 62 S C 0.788 175.478 174.600 0.149 0.000 1.111 62 S CA -0.874 57.396 58.200 0.117 0.000 0.887 62 S CB 0.580 63.813 63.200 0.055 0.000 1.095 62 S HN 0.584 nan 8.310 nan 0.000 0.476 63 I N 1.733 122.334 120.570 0.051 0.000 2.916 63 I HA 0.445 4.628 4.170 0.021 0.000 0.267 63 I C 0.882 177.001 176.117 0.003 0.000 1.263 63 I CA 0.816 62.148 61.300 0.053 0.000 1.471 63 I CB -0.783 37.188 38.000 -0.049 0.000 1.089 63 I HN 0.555 nan 8.210 nan 0.000 0.468 64 G N 0.439 109.093 108.800 -0.243 0.000 2.682 64 G HA2 0.535 4.508 3.960 0.021 0.000 0.303 64 G HA3 0.535 4.508 3.960 0.021 0.000 0.303 64 G C -1.577 172.878 174.900 -0.741 0.000 1.341 64 G CA -0.411 44.286 45.100 -0.671 0.000 0.784 64 G HN 0.412 nan 8.290 nan 0.000 0.497 65 N N -1.360 116.956 118.700 -0.640 0.000 2.619 65 N HA 0.575 5.328 4.740 0.021 0.000 0.294 65 N C -2.337 173.114 175.510 -0.097 0.000 1.279 65 N CA -2.031 50.843 53.050 -0.294 0.000 0.867 65 N CB 1.053 39.422 38.487 -0.196 0.000 1.329 65 N HN 0.078 nan 8.380 nan 0.000 0.557 66 P HA -0.026 nan 4.420 nan 0.000 0.229 66 P C -0.371 176.957 177.300 0.047 0.000 1.150 66 P CA 1.100 64.214 63.100 0.023 0.000 0.765 66 P CB 0.120 31.837 31.700 0.029 0.000 0.783 67 D N -3.435 116.980 120.400 0.025 0.000 2.349 67 D HA -0.028 4.625 4.640 0.021 0.000 0.214 67 D C 0.613 176.931 176.300 0.029 0.000 1.063 67 D CA 0.123 54.142 54.000 0.031 0.000 0.847 67 D CB -0.551 40.257 40.800 0.013 0.000 0.933 67 D HN 0.280 nan 8.370 nan 0.000 0.513 68 H N 2.591 121.625 119.070 -0.060 0.000 3.034 68 H HA -0.020 4.548 4.556 0.021 0.000 0.324 68 H C -1.363 173.951 175.328 -0.023 0.000 1.015 68 H CA -0.679 55.332 56.048 -0.062 0.000 1.429 68 H CB 1.619 31.323 29.762 -0.096 0.000 1.429 68 H HN -0.084 nan 8.280 nan 0.000 0.585 69 P HA -0.170 nan 4.420 nan 0.000 0.220 69 P C 1.807 179.145 177.300 0.063 0.000 1.148 69 P CA 0.468 63.528 63.100 -0.066 0.000 0.803 69 P CB 0.304 31.921 31.700 -0.139 0.000 0.782 70 L N 1.017 122.397 121.223 0.262 0.000 2.042 70 L HA -0.111 4.242 4.340 0.021 0.000 0.210 70 L C 2.086 179.009 176.870 0.087 0.000 1.076 70 L CA 1.752 56.713 54.840 0.202 0.000 0.749 70 L CB -0.958 41.247 42.059 0.242 0.000 0.893 70 L HN -0.096 nan 8.230 nan 0.000 0.432 71 V N -3.566 116.408 119.914 0.100 0.000 3.577 71 V HA 0.195 4.327 4.120 0.021 0.000 0.294 71 V C 0.738 176.807 176.094 -0.042 0.000 1.317 71 V CA 0.800 63.104 62.300 0.007 0.000 1.169 71 V CB -1.037 30.801 31.823 0.025 0.000 1.011 71 V HN 0.503 nan 8.190 nan 0.000 0.426 72 N N 0.100 118.797 118.700 -0.005 0.000 2.238 72 N HA 0.253 5.006 4.740 0.021 0.000 0.235 72 N C 0.152 175.657 175.510 -0.009 0.000 1.209 72 N CA -0.294 52.781 53.050 0.041 0.000 0.879 72 N CB 0.637 39.206 38.487 0.137 0.000 1.136 72 N HN 0.475 nan 8.380 nan 0.000 0.517 73 K N 0.554 120.900 120.400 -0.091 0.000 2.102 73 K HA 0.224 4.556 4.320 0.021 0.000 0.244 73 K C -1.550 174.982 176.600 -0.112 0.000 1.021 73 K CA -1.561 54.686 56.287 -0.067 0.000 0.913 73 K CB 0.341 32.810 32.500 -0.052 0.000 1.062 73 K HN -0.191 nan 8.250 nan 0.000 0.485 74 P HA -0.168 nan 4.420 nan 0.000 0.216 74 P C -0.314 176.928 177.300 -0.097 0.000 1.153 74 P CA 1.512 64.586 63.100 -0.043 0.000 0.858 74 P CB 0.197 31.887 31.700 -0.016 0.000 0.789 75 N N -1.975 116.666 118.700 -0.097 0.000 2.471 75 N HA 0.339 5.092 4.740 0.021 0.000 0.288 75 N C -2.716 172.720 175.510 -0.124 0.000 1.220 75 N CA -2.131 50.862 53.050 -0.096 0.000 0.893 75 N CB -0.288 38.168 38.487 -0.052 0.000 1.256 75 N HN -0.174 nan 8.380 nan 0.000 0.534 76 P HA 0.110 nan 4.420 nan 0.000 0.267 76 P C -2.320 174.945 177.300 -0.059 0.000 1.200 76 P CA -0.439 62.612 63.100 -0.082 0.000 0.772 76 P CB -0.330 31.343 31.700 -0.045 0.000 0.855 77 P HA -0.001 nan 4.420 nan 0.000 0.269 77 P C -0.054 177.231 177.300 -0.025 0.000 1.209 77 P CA 0.145 63.232 63.100 -0.022 0.000 0.776 77 P CB 0.095 31.795 31.700 0.000 0.000 0.876 78 T N -1.694 112.846 114.554 -0.024 0.000 2.828 78 T HA 0.046 4.409 4.350 0.021 0.000 0.290 78 T C 1.295 175.969 174.700 -0.043 0.000 1.019 78 T CA -0.530 61.544 62.100 -0.043 0.000 1.031 78 T CB 0.522 69.366 68.868 -0.039 0.000 1.001 78 T HN 0.169 nan 8.240 nan 0.000 0.531 79 V N 1.171 121.027 119.914 -0.097 0.000 2.469 79 V HA -0.137 3.996 4.120 0.021 0.000 0.251 79 V C 2.667 178.751 176.094 -0.016 0.000 1.064 79 V CA 2.509 64.734 62.300 -0.125 0.000 1.066 79 V CB -0.988 30.645 31.823 -0.317 0.000 0.667 79 V HN 1.034 nan 8.190 nan 0.000 0.461 80 K N -0.188 120.205 120.400 -0.012 0.000 2.026 80 K HA -0.220 4.112 4.320 0.021 0.000 0.208 80 K C 2.046 178.700 176.600 0.091 0.000 1.048 80 K CA 2.163 58.474 56.287 0.040 0.000 0.929 80 K CB -0.255 32.253 32.500 0.012 0.000 0.713 80 K HN 0.663 nan 8.250 nan 0.000 0.439 81 E N 0.651 120.883 120.200 0.054 0.000 2.153 81 E HA -0.170 4.193 4.350 0.021 0.000 0.194 81 E C 2.093 178.739 176.600 0.078 0.000 0.988 81 E CA 1.046 57.481 56.400 0.058 0.000 0.811 81 E CB -0.052 29.668 29.700 0.033 0.000 0.746 81 E HN 0.318 nan 8.360 nan 0.000 0.466 82 L N 0.597 121.874 121.223 0.090 0.000 2.046 82 L HA -0.204 4.148 4.340 0.021 0.000 0.208 82 L C 2.792 179.767 176.870 0.175 0.000 1.077 82 L CA 1.262 56.177 54.840 0.125 0.000 0.747 82 L CB -0.708 41.443 42.059 0.152 0.000 0.896 82 L HN 0.339 nan 8.230 nan 0.000 0.432 83 H N 0.797 119.926 119.070 0.099 0.000 2.387 83 H HA -0.197 4.372 4.556 0.021 0.000 0.299 83 H C 1.953 177.351 175.328 0.117 0.000 1.099 83 H CA 1.959 58.067 56.048 0.101 0.000 1.315 83 H CB 0.272 30.067 29.762 0.054 0.000 1.380 83 H HN 0.444 nan 8.280 nan 0.000 0.513 84 E N -0.180 120.010 120.200 -0.016 0.000 2.077 84 E HA -0.114 4.249 4.350 0.021 0.000 0.193 84 E C 2.465 179.024 176.600 -0.068 0.000 0.989 84 E CA 1.214 57.571 56.400 -0.072 0.000 0.800 84 E CB 0.206 29.921 29.700 0.025 0.000 0.746 84 E HN 0.245 nan 8.360 nan 0.000 0.452 85 V N 0.545 120.458 119.914 -0.001 0.000 2.591 85 V HA -0.178 3.954 4.120 0.021 0.000 0.249 85 V C 1.807 177.891 176.094 -0.017 0.000 1.053 85 V CA 1.184 63.486 62.300 0.003 0.000 1.068 85 V CB -0.378 31.455 31.823 0.017 0.000 0.689 85 V HN 0.244 nan 8.190 nan 0.000 0.462 86 F N 0.183 120.049 119.950 -0.140 0.000 2.091 86 F HA -0.270 4.270 4.527 0.021 0.000 0.299 86 F C 2.399 178.074 175.800 -0.208 0.000 1.103 86 F CA 1.991 59.891 58.000 -0.166 0.000 1.228 86 F CB -0.081 38.835 39.000 -0.140 0.000 0.984 86 F HN 0.061 nan 8.300 nan 0.000 0.477 87 M N 0.054 119.597 119.600 -0.094 0.000 2.099 87 M HA -0.137 4.356 4.480 0.021 0.000 0.262 87 M C 2.584 178.791 176.300 -0.154 0.000 1.067 87 M CA 1.877 57.068 55.300 -0.181 0.000 1.124 87 M CB -1.836 30.566 32.600 -0.330 0.000 1.353 87 M HN 0.353 nan 8.290 nan 0.000 0.410 88 S N -0.661 114.970 115.700 -0.115 0.000 2.406 88 S HA -0.086 4.397 4.470 0.021 0.000 0.228 88 S C 1.174 175.735 174.600 -0.065 0.000 1.020 88 S CA 1.477 59.637 58.200 -0.066 0.000 0.965 88 S CB -0.203 62.981 63.200 -0.026 0.000 0.798 88 S HN 0.420 nan 8.310 nan 0.000 0.488 89 D N 0.444 120.785 120.400 -0.099 0.000 2.469 89 D HA 0.288 4.940 4.640 0.021 0.000 0.240 89 D C 1.987 178.180 176.300 -0.178 0.000 1.087 89 D CA 0.612 54.557 54.000 -0.092 0.000 0.876 89 D CB -0.209 40.560 40.800 -0.051 0.000 1.160 89 D HN 0.431 nan 8.370 nan 0.000 0.497 90 G N 0.608 109.207 108.800 -0.336 0.000 2.404 90 G HA2 -0.136 3.837 3.960 0.021 0.000 0.213 90 G HA3 -0.136 3.837 3.960 0.021 0.000 0.213 90 G C 1.683 176.313 174.900 -0.450 0.000 1.189 90 G CA 0.386 45.157 45.100 -0.549 0.000 0.796 90 G HN 0.141 nan 8.290 nan 0.000 0.532 91 V N 2.264 121.946 119.914 -0.387 0.000 2.324 91 V HA -0.134 3.999 4.120 0.021 0.000 0.250 91 V C 0.245 176.290 176.094 -0.081 0.000 1.060 91 V CA 2.308 64.503 62.300 -0.175 0.000 1.042 91 V CB -1.057 30.736 31.823 -0.050 0.000 0.650 91 V HN 0.298 nan 8.190 nan 0.000 0.450 92 P HA -0.132 nan 4.420 nan 0.000 0.218 92 P C 1.796 179.068 177.300 -0.046 0.000 1.148 92 P CA 1.331 64.407 63.100 -0.040 0.000 0.822 92 P CB -0.065 31.615 31.700 -0.032 0.000 0.784 93 L N -1.114 120.058 121.223 -0.085 0.000 2.056 93 L HA -0.130 4.223 4.340 0.021 0.000 0.207 93 L C 2.519 179.349 176.870 -0.066 0.000 1.078 93 L CA 1.607 56.397 54.840 -0.083 0.000 0.749 93 L CB -1.385 40.599 42.059 -0.125 0.000 0.901 93 L HN -0.058 nan 8.230 nan 0.000 0.433 94 A N -0.126 122.655 122.820 -0.066 0.000 1.933 94 A HA -0.125 4.208 4.320 0.021 0.000 0.218 94 A C 2.363 179.967 177.584 0.033 0.000 1.175 94 A CA 1.668 53.710 52.037 0.008 0.000 0.628 94 A CB -0.774 18.279 19.000 0.089 0.000 0.814 94 A HN 0.187 nan 8.150 nan 0.000 0.444 95 V N -0.032 119.896 119.914 0.025 0.000 2.261 95 V HA -0.247 3.886 4.120 0.021 0.000 0.246 95 V C 2.617 178.718 176.094 0.010 0.000 1.047 95 V CA 2.443 64.758 62.300 0.025 0.000 1.015 95 V CB -0.736 31.102 31.823 0.024 0.000 0.642 95 V HN 0.703 nan 8.190 nan 0.000 0.446 96 E N 0.654 120.854 120.200 0.000 0.000 2.077 96 E HA -0.173 4.190 4.350 0.021 0.000 0.193 96 E C 2.109 178.706 176.600 -0.005 0.000 0.989 96 E CA 1.659 58.057 56.400 -0.003 0.000 0.800 96 E CB -0.525 29.171 29.700 -0.007 0.000 0.746 96 E HN 0.506 nan 8.360 nan 0.000 0.452 97 A N -0.094 122.719 122.820 -0.011 0.000 1.877 97 A HA -0.188 4.145 4.320 0.021 0.000 0.216 97 A C 2.446 180.031 177.584 0.000 0.000 1.186 97 A CA 2.066 54.097 52.037 -0.011 0.000 0.620 97 A CB -0.844 18.147 19.000 -0.016 0.000 0.822 97 A HN 0.309 nan 8.150 nan 0.000 0.443 98 S N -0.394 115.311 115.700 0.009 0.000 2.368 98 S HA -0.152 4.330 4.470 0.021 0.000 0.225 98 S C 2.080 176.679 174.600 -0.003 0.000 1.030 98 S CA 1.210 59.414 58.200 0.007 0.000 0.999 98 S CB -0.354 62.857 63.200 0.018 0.000 0.844 98 S HN 0.556 nan 8.310 nan 0.000 0.459 99 R N 1.382 121.882 120.500 -0.001 0.000 2.083 99 R HA -0.069 4.284 4.340 0.021 0.000 0.237 99 R C 2.308 178.605 176.300 -0.006 0.000 1.137 99 R CA 1.268 57.366 56.100 -0.003 0.000 0.951 99 R CB -0.348 29.951 30.300 -0.001 0.000 0.851 99 R HN 0.411 nan 8.270 nan 0.000 0.434 100 K N 0.229 120.626 120.400 -0.005 0.000 2.097 100 K HA -0.063 4.270 4.320 0.021 0.000 0.206 100 K C 2.196 178.789 176.600 -0.011 0.000 1.049 100 K CA 1.223 57.507 56.287 -0.005 0.000 0.933 100 K CB -0.129 32.370 32.500 -0.002 0.000 0.717 100 K HN 0.144 nan 8.250 nan 0.000 0.442 101 A N 1.545 124.355 122.820 -0.016 0.000 1.877 101 A HA -0.165 4.168 4.320 0.021 0.000 0.216 101 A C 2.166 179.733 177.584 -0.028 0.000 1.186 101 A CA 1.512 53.532 52.037 -0.029 0.000 0.620 101 A CB -0.469 18.505 19.000 -0.044 0.000 0.822 101 A HN 0.173 nan 8.150 nan 0.000 0.443 102 M N -0.532 119.055 119.600 -0.022 0.000 2.159 102 M HA -0.143 4.349 4.480 0.021 0.000 0.263 102 M C 2.494 178.784 176.300 -0.016 0.000 1.063 102 M CA 1.401 56.690 55.300 -0.020 0.000 1.110 102 M CB -0.419 32.172 32.600 -0.015 0.000 1.374 102 M HN 0.489 nan 8.290 nan 0.000 0.411 103 A N 0.078 122.890 122.820 -0.014 0.000 1.898 103 A HA -0.200 4.132 4.320 0.021 0.000 0.216 103 A C 1.982 179.558 177.584 -0.014 0.000 1.181 103 A CA 1.900 53.930 52.037 -0.011 0.000 0.620 103 A CB -0.699 18.296 19.000 -0.008 0.000 0.819 103 A HN 0.570 nan 8.150 nan 0.000 0.442 104 E N -0.075 120.115 120.200 -0.016 0.000 2.106 104 E HA -0.055 4.307 4.350 0.021 0.000 0.192 104 E C 1.909 178.495 176.600 -0.024 0.000 0.984 104 E CA 0.933 57.321 56.400 -0.020 0.000 0.806 104 E CB -0.244 29.443 29.700 -0.021 0.000 0.750 104 E HN 0.506 nan 8.360 nan 0.000 0.458 105 A N 0.817 123.623 122.820 -0.025 0.000 2.168 105 A HA -0.029 4.304 4.320 0.021 0.000 0.215 105 A C 0.751 178.323 177.584 -0.020 0.000 1.152 105 A CA 0.692 52.714 52.037 -0.025 0.000 0.716 105 A CB -0.261 18.722 19.000 -0.028 0.000 0.794 105 A HN 0.307 nan 8.150 nan 0.000 0.465 106 R N -1.771 118.719 120.500 -0.017 0.000 3.422 106 R HA -0.159 4.194 4.340 0.021 0.000 0.267 106 R C -1.176 175.118 176.300 -0.011 0.000 1.074 106 R CA 0.747 56.839 56.100 -0.013 0.000 0.718 106 R CB -2.407 27.885 30.300 -0.013 0.000 1.157 106 R HN 0.515 nan 8.270 nan 0.000 0.440 107 L N 0.244 121.459 121.223 -0.012 0.000 2.331 107 L HA 0.582 4.934 4.340 0.021 0.000 0.275 107 L C 0.957 177.822 176.870 -0.009 0.000 1.022 107 L CA -1.181 53.653 54.840 -0.010 0.000 0.812 107 L CB 1.729 43.782 42.059 -0.011 0.000 1.257 107 L HN -0.077 nan 8.230 nan 0.000 0.435 108 V N -0.214 119.696 119.914 -0.008 0.000 2.743 108 V HA 0.374 4.507 4.120 0.021 0.000 0.301 108 V C -1.984 174.104 176.094 -0.010 0.000 1.057 108 V CA -1.525 60.770 62.300 -0.009 0.000 1.006 108 V CB 1.055 32.873 31.823 -0.008 0.000 1.024 108 V HN 0.554 nan 8.190 nan 0.000 0.473 109 P HA -0.194 nan 4.420 nan 0.000 0.218 109 P C 1.496 178.786 177.300 -0.016 0.000 1.150 109 P CA 2.503 65.594 63.100 -0.016 0.000 0.841 109 P CB 0.064 31.753 31.700 -0.018 0.000 0.784 110 A N -0.849 121.963 122.820 -0.014 0.000 2.121 110 A HA -0.190 4.143 4.320 0.021 0.000 0.218 110 A C 2.086 179.665 177.584 -0.008 0.000 1.154 110 A CA 1.172 53.201 52.037 -0.013 0.000 0.679 110 A CB -0.904 18.089 19.000 -0.011 0.000 0.795 110 A HN 0.250 nan 8.150 nan 0.000 0.458 111 Q N -0.563 119.234 119.800 -0.005 0.000 2.389 111 Q HA 0.088 4.441 4.340 0.021 0.000 0.204 111 Q C -0.235 175.770 176.000 0.008 0.000 0.944 111 Q CA 0.022 55.827 55.803 0.003 0.000 0.908 111 Q CB 0.103 28.843 28.738 0.002 0.000 1.002 111 Q HN 0.467 nan 8.270 nan 0.000 0.493 112 I N 1.767 122.336 120.570 -0.001 0.000 2.452 112 I HA -0.046 4.137 4.170 0.021 0.000 0.287 112 I C 1.527 177.641 176.117 -0.006 0.000 1.079 112 I CA 0.656 61.956 61.300 0.001 0.000 1.387 112 I CB 0.873 38.866 38.000 -0.010 0.000 1.404 112 I HN 0.148 nan 8.210 nan 0.000 0.522 113 T N 2.543 117.108 114.554 0.018 0.000 3.023 113 T HA 0.157 4.519 4.350 0.021 0.000 0.249 113 T C 0.446 174.980 174.700 -0.278 0.000 1.050 113 T CA 0.360 62.422 62.100 -0.064 0.000 1.088 113 T CB 0.130 69.023 68.868 0.041 0.000 0.946 113 T HN 0.590 nan 8.240 nan 0.000 0.480 114 H N -0.300 118.712 119.070 -0.096 0.000 2.985 114 H HA 0.740 5.309 4.556 0.021 0.000 0.360 114 H C -1.247 174.032 175.328 -0.082 0.000 1.221 114 H CA -1.080 54.906 56.048 -0.103 0.000 1.121 114 H CB 1.710 31.384 29.762 -0.147 0.000 1.854 114 H HN 0.182 nan 8.280 nan 0.000 0.551 115 M N 1.835 121.474 119.600 0.066 0.000 2.213 115 M HA 0.524 5.016 4.480 0.021 0.000 0.286 115 M C -1.926 174.372 176.300 -0.002 0.000 1.008 115 M CA -0.842 54.463 55.300 0.009 0.000 0.937 115 M CB 1.400 33.986 32.600 -0.022 0.000 1.600 115 M HN 0.393 nan 8.290 nan 0.000 0.450 116 V N 3.609 123.516 119.914 -0.012 0.000 2.378 116 V HA 0.604 4.736 4.120 0.021 0.000 0.288 116 V C -0.465 175.632 176.094 0.006 0.000 1.016 116 V CA -0.435 61.855 62.300 -0.017 0.000 0.840 116 V CB 1.472 33.273 31.823 -0.036 0.000 0.994 116 V HN 0.926 nan 8.190 nan 0.000 0.431 117 S N 2.654 118.347 115.700 -0.011 0.000 2.600 117 S HA 0.839 5.322 4.470 0.021 0.000 0.300 117 S C -0.275 174.356 174.600 0.051 0.000 1.087 117 S CA -0.646 57.563 58.200 0.015 0.000 0.965 117 S CB 2.281 65.396 63.200 -0.141 0.000 1.089 117 S HN 0.810 nan 8.310 nan 0.000 0.496 118 T N 0.486 115.126 114.554 0.143 0.000 2.923 118 T HA 0.739 5.102 4.350 0.021 0.000 0.311 118 T C -1.389 173.437 174.700 0.210 0.000 1.183 118 T CA -0.272 61.897 62.100 0.116 0.000 1.020 118 T CB 1.889 70.760 68.868 0.004 0.000 1.165 118 T HN 0.673 nan 8.240 nan 0.000 0.482 119 T N 0.734 115.361 114.554 0.121 0.000 2.893 119 T HA 0.424 4.787 4.350 0.021 0.000 0.337 119 T C 0.359 174.940 174.700 -0.198 0.000 1.587 119 T CA -0.067 62.035 62.100 0.004 0.000 1.066 119 T CB 0.379 69.291 68.868 0.074 0.000 1.414 119 T HN 1.032 nan 8.240 nan 0.000 0.488 120 C N 0.806 119.900 119.300 -0.343 0.000 3.491 120 C HA 0.417 4.890 4.460 0.021 0.000 0.298 120 C C 1.703 176.161 174.990 -0.885 0.000 1.424 120 C CA 0.616 59.277 59.018 -0.594 0.000 1.772 120 C CB -1.475 25.967 27.740 -0.497 0.000 2.447 120 C HN 0.934 nan 8.230 nan 0.000 0.670 121 T N -3.057 111.093 114.554 -0.673 0.000 3.092 121 T HA 0.311 4.674 4.350 0.021 0.000 0.258 121 T C -0.506 173.749 174.700 -0.742 0.000 1.031 121 T CA 0.323 62.037 62.100 -0.644 0.000 0.925 121 T CB 0.052 68.806 68.868 -0.190 0.000 1.036 121 T HN 0.536 nan 8.240 nan 0.000 0.544 122 D N 0.216 120.041 120.400 -0.958 0.000 2.661 122 D HA 0.572 5.225 4.640 0.021 0.000 0.228 122 D C -1.634 174.511 176.300 -0.258 0.000 1.210 122 D CA -0.385 53.186 54.000 -0.716 0.000 0.826 122 D CB 2.375 42.167 40.800 -1.679 0.000 1.542 122 D HN 0.047 nan 8.370 nan 0.000 0.447 123 S N 1.174 116.940 115.700 0.109 0.000 2.547 123 S HA 0.919 5.402 4.470 0.021 0.000 0.281 123 S C -1.719 172.861 174.600 -0.033 0.000 1.118 123 S CA -0.068 58.192 58.200 0.101 0.000 0.947 123 S CB 1.021 64.379 63.200 0.262 0.000 1.053 123 S HN 0.868 nan 8.310 nan 0.000 0.482 124 A N 3.759 126.549 122.820 -0.049 0.000 2.590 124 A HA 0.689 5.022 4.320 0.021 0.000 0.296 124 A C -1.886 175.690 177.584 -0.012 0.000 1.050 124 A CA -1.000 50.981 52.037 -0.093 0.000 0.697 124 A CB 1.112 20.119 19.000 0.011 0.000 1.277 124 A HN 0.782 nan 8.150 nan 0.000 0.411 125 N N 1.899 120.586 118.700 -0.020 0.000 2.461 125 N HA 0.639 5.392 4.740 0.021 0.000 0.284 125 N C -2.852 172.672 175.510 0.023 0.000 1.049 125 N CA -0.872 52.178 53.050 0.000 0.000 0.889 125 N CB 1.493 39.961 38.487 -0.031 0.000 1.365 125 N HN 0.562 nan 8.380 nan 0.000 0.499 126 P HA 0.238 nan 4.420 nan 0.000 0.272 126 P C 0.607 178.018 177.300 0.184 0.000 1.223 126 P CA -0.484 62.628 63.100 0.020 0.000 0.784 126 P CB 0.429 32.009 31.700 -0.200 0.000 0.923 127 G N 0.114 108.999 108.800 0.142 0.000 2.684 127 G HA2 0.075 4.048 3.960 0.021 0.000 0.255 127 G HA3 0.075 4.048 3.960 0.021 0.000 0.255 127 G C 0.440 175.560 174.900 0.367 0.000 1.219 127 G CA -0.308 44.910 45.100 0.195 0.000 0.901 127 G HN 0.694 nan 8.290 nan 0.000 0.548 128 Y N -0.789 119.713 120.300 0.336 0.000 2.352 128 Y HA -0.092 4.471 4.550 0.022 0.000 0.292 128 Y C 2.120 178.244 175.900 0.373 0.000 1.136 128 Y CA 1.452 59.809 58.100 0.429 0.000 1.227 128 Y CB -0.216 38.538 38.460 0.491 0.000 0.991 128 Y HN 0.440 nan 8.280 nan 0.000 0.545 129 D N -0.148 119.988 120.400 -0.439 0.000 2.178 129 D HA -0.307 4.346 4.640 0.021 0.000 0.201 129 D C 2.003 178.269 176.300 -0.057 0.000 0.980 129 D CA 1.872 55.656 54.000 -0.359 0.000 0.842 129 D CB -1.143 39.428 40.800 -0.383 0.000 0.948 129 D HN 0.653 nan 8.370 nan 0.000 0.472 130 H N 0.199 119.241 119.070 -0.047 0.000 2.319 130 H HA -0.204 4.365 4.556 0.021 0.000 0.299 130 H C 1.583 176.832 175.328 -0.132 0.000 1.092 130 H CA 1.634 57.611 56.048 -0.119 0.000 1.302 130 H CB -0.386 29.240 29.762 -0.225 0.000 1.373 130 H HN 0.241 nan 8.280 nan 0.000 0.497 131 Y N 0.069 120.430 120.300 0.102 0.000 2.200 131 Y HA -0.148 4.415 4.550 0.022 0.000 0.290 131 Y C 3.089 178.991 175.900 0.003 0.000 1.137 131 Y CA 0.984 59.127 58.100 0.073 0.000 1.163 131 Y CB -0.380 38.194 38.460 0.190 0.000 0.988 131 Y HN -0.021 nan 8.280 nan 0.000 0.518 132 V N 0.076 120.104 119.914 0.190 0.000 2.287 132 V HA -0.367 3.765 4.120 0.021 0.000 0.248 132 V C 2.551 178.647 176.094 0.003 0.000 1.053 132 V CA 1.844 64.207 62.300 0.105 0.000 1.027 132 V CB -1.412 30.491 31.823 0.133 0.000 0.646 132 V HN 0.480 nan 8.190 nan 0.000 0.447 133 A N -0.290 122.491 122.820 -0.065 0.000 1.883 133 A HA -0.301 4.031 4.320 0.021 0.000 0.217 133 A C 2.362 179.865 177.584 -0.135 0.000 1.186 133 A CA 2.392 54.364 52.037 -0.108 0.000 0.624 133 A CB -0.540 18.371 19.000 -0.150 0.000 0.822 133 A HN 0.542 nan 8.150 nan 0.000 0.444 134 K N -0.359 119.909 120.400 -0.219 0.000 2.026 134 K HA -0.182 4.151 4.320 0.021 0.000 0.208 134 K C 1.988 178.541 176.600 -0.078 0.000 1.048 134 K CA 1.620 57.791 56.287 -0.193 0.000 0.929 134 K CB -0.223 32.107 32.500 -0.283 0.000 0.713 134 K HN 0.593 nan 8.250 nan 0.000 0.439 135 E N 0.473 120.655 120.200 -0.031 0.000 2.118 135 E HA -0.207 4.156 4.350 0.021 0.000 0.195 135 E C 2.015 178.612 176.600 -0.007 0.000 0.992 135 E CA 1.273 57.675 56.400 0.003 0.000 0.804 135 E CB -0.081 29.640 29.700 0.035 0.000 0.741 135 E HN 0.361 nan 8.360 nan 0.000 0.458 136 L N -0.631 120.583 121.223 -0.016 0.000 2.291 136 L HA 0.020 4.373 4.340 0.021 0.000 0.214 136 L C 1.374 178.229 176.870 -0.024 0.000 1.120 136 L CA 0.590 55.420 54.840 -0.016 0.000 0.799 136 L CB -0.141 41.908 42.059 -0.016 0.000 0.925 136 L HN 0.255 nan 8.230 nan 0.000 0.446 137 G N 0.676 109.454 108.800 -0.037 0.000 2.204 137 G HA2 -0.224 3.749 3.960 0.021 0.000 0.244 137 G HA3 -0.224 3.749 3.960 0.021 0.000 0.244 137 G C 0.007 174.883 174.900 -0.041 0.000 1.062 137 G CA -0.342 44.736 45.100 -0.037 0.000 0.798 137 G HN 0.161 nan 8.290 nan 0.000 0.496 138 L N 0.264 121.455 121.223 -0.054 0.000 2.456 138 L HA 0.555 4.908 4.340 0.021 0.000 0.257 138 L C 1.620 178.458 176.870 -0.053 0.000 1.162 138 L CA -0.256 54.554 54.840 -0.050 0.000 0.808 138 L CB 0.991 43.017 42.059 -0.054 0.000 1.136 138 L HN 0.320 nan 8.230 nan 0.000 0.466 139 S N 0.573 116.246 115.700 -0.045 0.000 2.573 139 S HA -0.092 4.390 4.470 0.021 0.000 0.297 139 S C 1.015 175.586 174.600 -0.048 0.000 1.280 139 S CA -0.307 57.868 58.200 -0.042 0.000 1.061 139 S CB 0.276 63.452 63.200 -0.040 0.000 0.812 139 S HN 0.754 nan 8.310 nan 0.000 0.500 140 D N 4.363 124.740 120.400 -0.039 0.000 2.310 140 D HA -0.127 4.526 4.640 0.021 0.000 0.212 140 D C 1.130 177.411 176.300 -0.031 0.000 0.965 140 D CA 0.922 54.902 54.000 -0.034 0.000 0.879 140 D CB -0.116 40.669 40.800 -0.023 0.000 0.921 140 D HN 0.602 nan 8.370 nan 0.000 0.510 141 R N -0.183 120.295 120.500 -0.036 0.000 2.388 141 R HA 0.186 4.539 4.340 0.021 0.000 0.247 141 R C 0.318 176.582 176.300 -0.059 0.000 0.931 141 R CA -0.704 55.372 56.100 -0.040 0.000 1.082 141 R CB -0.010 30.268 30.300 -0.036 0.000 1.135 141 R HN 0.163 nan 8.270 nan 0.000 0.525 142 L N 2.727 123.912 121.223 -0.063 0.000 2.540 142 L HA -0.046 4.307 4.340 0.021 0.000 0.276 142 L C 0.089 176.906 176.870 -0.088 0.000 1.212 142 L CA 0.631 55.421 54.840 -0.083 0.000 0.893 142 L CB 0.299 42.317 42.059 -0.069 0.000 1.138 142 L HN 0.078 nan 8.230 nan 0.000 0.491 143 E N 6.141 126.257 120.200 -0.141 0.000 2.152 143 E HA 0.233 4.596 4.350 0.021 0.000 0.285 143 E C -0.725 175.850 176.600 -0.042 0.000 1.043 143 E CA -0.377 55.960 56.400 -0.105 0.000 0.839 143 E CB 0.759 30.353 29.700 -0.177 0.000 1.069 143 E HN 0.505 nan 8.360 nan 0.000 0.399 144 K N 1.588 121.975 120.400 -0.022 0.000 2.203 144 K HA 0.589 4.922 4.320 0.021 0.000 0.251 144 K C -0.866 175.729 176.600 -0.009 0.000 0.944 144 K CA -0.904 55.373 56.287 -0.016 0.000 0.829 144 K CB 2.345 34.828 32.500 -0.029 0.000 1.125 144 K HN 0.148 nan 8.250 nan 0.000 0.430 145 V N 3.250 123.156 119.914 -0.014 0.000 2.524 145 V HA 0.202 4.335 4.120 0.021 0.000 0.297 145 V C -1.380 174.697 176.094 -0.027 0.000 1.035 145 V CA -0.841 61.450 62.300 -0.015 0.000 0.867 145 V CB 1.603 33.419 31.823 -0.012 0.000 1.004 145 V HN 0.530 nan 8.190 nan 0.000 0.426 146 L N 6.949 128.157 121.223 -0.025 0.000 2.277 146 L HA 0.576 4.929 4.340 0.021 0.000 0.284 146 L C -0.384 176.499 176.870 0.021 0.000 1.028 146 L CA 0.210 55.036 54.840 -0.024 0.000 0.835 146 L CB 0.783 42.816 42.059 -0.043 0.000 1.215 146 L HN 0.518 nan 8.230 nan 0.000 0.425 147 L N 5.180 126.419 121.223 0.028 0.000 2.426 147 L HA 0.302 4.655 4.340 0.021 0.000 0.271 147 L C 0.137 177.063 176.870 0.093 0.000 1.169 147 L CA -0.048 54.815 54.840 0.039 0.000 0.836 147 L CB 0.424 42.484 42.059 0.001 0.000 1.112 147 L HN 0.632 nan 8.230 nan 0.000 0.465 148 H N 0.952 120.003 119.070 -0.031 0.000 2.894 148 H HA 0.325 4.894 4.556 0.022 0.000 0.368 148 H C 0.600 175.900 175.328 -0.047 0.000 1.181 148 H CA 0.287 56.308 56.048 -0.045 0.000 1.146 148 H CB 2.382 32.127 29.762 -0.028 0.000 1.839 148 H HN 0.665 nan 8.280 nan 0.000 0.557 149 G N 1.959 110.477 108.800 -0.471 0.000 2.159 149 G HA2 -0.248 3.725 3.960 0.021 0.000 0.256 149 G HA3 -0.248 3.725 3.960 0.021 0.000 0.256 149 G C 0.766 175.571 174.900 -0.159 0.000 0.977 149 G CA 0.740 45.700 45.100 -0.234 0.000 0.652 149 G HN 0.671 nan 8.290 nan 0.000 0.531 150 I N -2.430 118.031 120.570 -0.182 0.000 4.327 150 I HA 0.558 4.741 4.170 0.021 0.000 0.331 150 I C 1.338 177.373 176.117 -0.137 0.000 1.348 150 I CA 0.228 61.455 61.300 -0.122 0.000 1.152 150 I CB 0.249 38.193 38.000 -0.094 0.000 1.151 150 I HN 1.097 nan 8.210 nan 0.000 0.410 154 G N 1.938 110.618 108.800 -0.200 0.000 2.442 154 G HA2 0.143 4.115 3.960 0.021 0.000 0.219 154 G HA3 0.143 4.115 3.960 0.021 0.000 0.219 154 G C 1.358 176.129 174.900 -0.216 0.000 1.141 154 G CA 1.098 46.091 45.100 -0.179 0.000 0.763 154 G HN 0.869 nan 8.290 nan 0.000 0.554 155 G N 0.847 109.435 108.800 -0.354 0.000 2.433 155 G HA2 -0.159 3.814 3.960 0.021 0.000 0.216 155 G HA3 -0.159 3.814 3.960 0.021 0.000 0.216 155 G C 1.768 176.488 174.900 -0.300 0.000 1.186 155 G CA 0.731 45.464 45.100 -0.612 0.000 0.779 155 G HN 0.415 nan 8.290 nan 0.000 0.543 156 L N 0.498 121.599 121.223 -0.203 0.000 2.156 156 L HA 0.052 4.404 4.340 0.021 0.000 0.208 156 L C 3.396 180.213 176.870 -0.088 0.000 1.095 156 L CA 0.722 55.515 54.840 -0.079 0.000 0.770 156 L CB -0.361 41.643 42.059 -0.092 0.000 0.914 156 L HN 0.327 nan 8.230 nan 0.000 0.439 157 A N 0.362 123.116 122.820 -0.110 0.000 1.877 157 A HA -0.201 4.132 4.320 0.021 0.000 0.216 157 A C 2.528 180.053 177.584 -0.098 0.000 1.186 157 A CA 1.807 53.782 52.037 -0.104 0.000 0.620 157 A CB -0.672 18.271 19.000 -0.094 0.000 0.822 157 A HN 0.390 nan 8.150 nan 0.000 0.443 158 A N -0.855 121.927 122.820 -0.062 0.000 1.933 158 A HA -0.026 4.306 4.320 0.021 0.000 0.218 158 A C 2.121 179.684 177.584 -0.034 0.000 1.175 158 A CA 1.696 53.717 52.037 -0.025 0.000 0.628 158 A CB -0.539 18.485 19.000 0.041 0.000 0.814 158 A HN 0.591 nan 8.150 nan 0.000 0.444 159 L N -0.347 120.881 121.223 0.010 0.000 2.093 159 L HA -0.062 4.291 4.340 0.021 0.000 0.208 159 L C 2.472 179.190 176.870 -0.253 0.000 1.085 159 L CA 2.200 57.010 54.840 -0.050 0.000 0.755 159 L CB -0.434 41.656 42.059 0.051 0.000 0.904 159 L HN 0.486 nan 8.230 nan 0.000 0.435 160 R N -1.641 118.666 120.500 -0.322 0.000 2.090 160 R HA -0.109 4.244 4.340 0.021 0.000 0.228 160 R C 1.973 177.948 176.300 -0.542 0.000 1.110 160 R CA 1.658 57.382 56.100 -0.626 0.000 0.973 160 R CB -0.299 29.691 30.300 -0.517 0.000 0.869 160 R HN 0.324 nan 8.270 nan 0.000 0.440 161 T N 0.876 115.245 114.554 -0.308 0.000 2.708 161 T HA -0.114 4.249 4.350 0.021 0.000 0.266 161 T C 1.853 176.408 174.700 -0.242 0.000 1.037 161 T CA 1.454 63.420 62.100 -0.223 0.000 1.146 161 T CB -0.354 68.433 68.868 -0.136 0.000 0.865 161 T HN 0.458 nan 8.240 nan 0.000 0.435 162 A N 1.519 124.197 122.820 -0.237 0.000 1.917 162 A HA 0.029 4.362 4.320 0.021 0.000 0.219 162 A C 2.637 180.038 177.584 -0.306 0.000 1.182 162 A CA 2.058 53.942 52.037 -0.255 0.000 0.633 162 A CB -1.147 17.732 19.000 -0.200 0.000 0.819 162 A HN 0.527 nan 8.150 nan 0.000 0.448 163 A N 0.160 122.747 122.820 -0.388 0.000 1.902 163 A HA -0.198 4.135 4.320 0.021 0.000 0.217 163 A C 1.907 179.317 177.584 -0.289 0.000 1.181 163 A CA 1.772 53.557 52.037 -0.418 0.000 0.623 163 A CB -0.628 17.853 19.000 -0.864 0.000 0.818 163 A HN 0.554 nan 8.150 nan 0.000 0.443 164 N N 0.177 118.696 118.700 -0.302 0.000 2.223 164 N HA -0.085 4.667 4.740 0.021 0.000 0.185 164 N C 1.601 177.042 175.510 -0.114 0.000 1.016 164 N CA 1.261 54.238 53.050 -0.121 0.000 0.863 164 N CB -0.460 37.968 38.487 -0.099 0.000 0.983 164 N HN 0.530 nan 8.380 nan 0.000 0.429 165 L N -0.271 120.828 121.223 -0.207 0.000 2.109 165 L HA -0.078 4.275 4.340 0.021 0.000 0.207 165 L C 2.384 179.043 176.870 -0.352 0.000 1.086 165 L CA 0.524 55.189 54.840 -0.292 0.000 0.760 165 L CB -0.375 41.415 42.059 -0.448 0.000 0.910 165 L HN 0.177 nan 8.230 nan 0.000 0.437 166 C N 0.132 119.251 119.300 -0.302 0.000 2.413 166 C HA -0.165 4.308 4.460 0.021 0.000 0.276 166 C C 2.748 177.716 174.990 -0.038 0.000 1.236 166 C CA 0.688 59.594 59.018 -0.186 0.000 1.735 166 C CB -0.740 26.920 27.740 -0.133 0.000 2.031 166 C HN 0.425 nan 8.230 nan 0.000 0.474 167 L N 0.588 121.805 121.223 -0.010 0.000 2.131 167 L HA -0.050 4.302 4.340 0.021 0.000 0.210 167 L C 2.740 179.649 176.870 0.065 0.000 1.092 167 L CA 1.504 56.373 54.840 0.049 0.000 0.759 167 L CB -1.074 41.033 42.059 0.081 0.000 0.903 167 L HN 0.534 nan 8.230 nan 0.000 0.435 168 G N -1.208 107.624 108.800 0.055 0.000 2.446 168 G HA2 -0.265 3.708 3.960 0.021 0.000 0.217 168 G HA3 -0.265 3.708 3.960 0.021 0.000 0.217 168 G C 1.394 176.411 174.900 0.195 0.000 1.168 168 G CA 0.666 45.829 45.100 0.105 0.000 0.771 168 G HN 0.442 nan 8.290 nan 0.000 0.551 169 H N -0.112 118.981 119.070 0.038 0.000 2.389 169 H HA -0.063 4.506 4.556 0.021 0.000 0.299 169 H C 2.954 178.303 175.328 0.034 0.000 1.081 169 H CA 1.260 57.342 56.048 0.056 0.000 1.345 169 H CB 0.151 29.971 29.762 0.096 0.000 1.393 169 H HN 0.306 nan 8.280 nan 0.000 0.520 170 T N 0.598 115.237 114.554 0.141 0.000 2.759 170 T HA -0.174 4.189 4.350 0.021 0.000 0.269 170 T C 2.243 176.974 174.700 0.051 0.000 1.042 170 T CA 1.006 63.152 62.100 0.077 0.000 1.140 170 T CB -0.343 68.563 68.868 0.063 0.000 0.864 170 T HN 0.427 nan 8.240 nan 0.000 0.455 171 A N 1.383 124.236 122.820 0.056 0.000 2.019 171 A HA -0.046 4.286 4.320 0.021 0.000 0.219 171 A C 2.207 179.804 177.584 0.020 0.000 1.164 171 A CA 1.033 53.093 52.037 0.038 0.000 0.644 171 A CB -0.299 18.727 19.000 0.044 0.000 0.805 171 A HN 0.402 nan 8.150 nan 0.000 0.449 172 R N -1.569 118.937 120.500 0.011 0.000 2.393 172 R HA 0.235 4.587 4.340 0.021 0.000 0.244 172 R C 1.098 177.376 176.300 -0.037 0.000 0.920 172 R CA 0.454 56.539 56.100 -0.025 0.000 1.076 172 R CB 0.083 30.347 30.300 -0.061 0.000 1.119 172 R HN 0.608 nan 8.270 nan 0.000 0.524 173 G N 2.071 110.863 108.800 -0.013 0.000 2.168 173 G HA2 -0.337 3.635 3.960 0.021 0.000 0.257 173 G HA3 -0.337 3.635 3.960 0.021 0.000 0.257 173 G C -0.131 174.756 174.900 -0.021 0.000 0.997 173 G CA 0.418 45.512 45.100 -0.010 0.000 0.708 173 G HN 0.264 nan 8.290 nan 0.000 0.520 174 K N 0.770 121.143 120.400 -0.044 0.000 2.156 174 K HA 0.472 4.805 4.320 0.021 0.000 0.271 174 K C -2.505 174.126 176.600 0.051 0.000 0.995 174 K CA -2.168 54.077 56.287 -0.069 0.000 0.890 174 K CB 1.584 33.902 32.500 -0.303 0.000 1.073 174 K HN -0.035 nan 8.250 nan 0.000 0.454 175 P HA -0.029 nan 4.420 nan 0.000 0.265 175 P C -1.380 176.068 177.300 0.246 0.000 1.193 175 P CA 0.024 63.194 63.100 0.116 0.000 0.765 175 P CB 0.794 32.537 31.700 0.072 0.000 0.823 176 A N 3.985 126.921 122.820 0.193 0.000 2.356 176 A HA 0.710 5.043 4.320 0.021 0.000 0.310 176 A C -0.576 177.047 177.584 0.064 0.000 1.075 176 A CA -0.609 51.526 52.037 0.162 0.000 0.746 176 A CB 1.218 20.242 19.000 0.039 0.000 1.221 176 A HN 0.329 nan 8.150 nan 0.000 0.443 177 R N 2.773 123.315 120.500 0.070 0.000 2.468 177 R HA 0.434 4.787 4.340 0.021 0.000 0.302 177 R C -1.441 174.874 176.300 0.024 0.000 1.041 177 R CA -0.234 55.880 56.100 0.024 0.000 0.899 177 R CB 1.007 31.320 30.300 0.021 0.000 1.167 177 R HN 0.701 nan 8.270 nan 0.000 0.483 178 I N 3.979 124.533 120.570 -0.027 0.000 2.355 178 I HA 0.215 4.397 4.170 0.021 0.000 0.288 178 I C 0.107 176.194 176.117 -0.049 0.000 0.999 178 I CA -1.256 60.022 61.300 -0.036 0.000 1.163 178 I CB 1.727 39.650 38.000 -0.129 0.000 1.316 178 I HN 0.241 nan 8.210 nan 0.000 0.454 179 L N 9.031 130.238 121.223 -0.027 0.000 2.433 179 L HA 0.241 4.593 4.340 0.021 0.000 0.275 179 L C -0.391 176.461 176.870 -0.030 0.000 1.128 179 L CA 0.290 55.110 54.840 -0.034 0.000 0.875 179 L CB 0.704 42.753 42.059 -0.018 0.000 1.171 179 L HN 0.321 nan 8.230 nan 0.000 0.463 180 V N 6.991 126.874 119.914 -0.052 0.000 2.347 180 V HA 0.465 4.598 4.120 0.021 0.000 0.280 180 V C -0.226 175.941 176.094 0.121 0.000 1.021 180 V CA -0.547 61.754 62.300 0.002 0.000 0.847 180 V CB 1.120 32.895 31.823 -0.079 0.000 0.990 180 V HN 0.697 nan 8.190 nan 0.000 0.444 181 L N 4.828 126.159 121.223 0.180 0.000 2.408 181 L HA 0.990 5.342 4.340 0.021 0.000 0.268 181 L C -0.292 176.714 176.870 0.227 0.000 0.986 181 L CA -0.292 54.678 54.840 0.216 0.000 0.820 181 L CB 1.924 44.075 42.059 0.154 0.000 1.303 181 L HN 0.714 nan 8.230 nan 0.000 0.411 182 A N 4.631 127.565 122.820 0.190 0.000 2.393 182 A HA 0.832 5.165 4.320 0.021 0.000 0.306 182 A C -1.962 175.650 177.584 0.046 0.000 1.050 182 A CA -0.470 51.614 52.037 0.079 0.000 0.724 182 A CB 1.508 20.435 19.000 -0.121 0.000 1.248 182 A HN 0.889 nan 8.150 nan 0.000 0.424 183 L N 1.565 122.799 121.223 0.017 0.000 2.464 183 L HA 0.757 5.109 4.340 0.021 0.000 0.266 183 L C -1.309 175.493 176.870 -0.113 0.000 0.965 183 L CA -0.058 54.700 54.840 -0.137 0.000 0.833 183 L CB 1.990 43.830 42.059 -0.365 0.000 1.296 183 L HN 0.672 nan 8.230 nan 0.000 0.405 184 E N 4.678 124.810 120.200 -0.113 0.000 2.275 184 E HA 0.509 4.872 4.350 0.021 0.000 0.270 184 E C -1.433 175.140 176.600 -0.045 0.000 0.882 184 E CA -0.577 55.800 56.400 -0.038 0.000 0.758 184 E CB 2.742 32.413 29.700 -0.049 0.000 1.195 184 E HN 0.383 nan 8.360 nan 0.000 0.419 185 V N 2.583 122.517 119.914 0.033 0.000 2.305 185 V HA 0.090 4.222 4.120 0.021 0.000 0.275 185 V C 1.068 177.189 176.094 0.044 0.000 1.020 185 V CA -0.220 62.090 62.300 0.017 0.000 0.811 185 V CB 0.836 32.660 31.823 0.001 0.000 1.031 185 V HN 0.771 nan 8.190 nan 0.000 0.439 186 S N 1.722 117.438 115.700 0.027 0.000 2.470 186 S HA -0.104 4.379 4.470 0.021 0.000 0.222 186 S C 1.912 176.545 174.600 0.055 0.000 1.024 186 S CA 0.779 58.989 58.200 0.017 0.000 0.931 186 S CB -0.126 63.077 63.200 0.005 0.000 0.791 186 S HN 0.775 nan 8.310 nan 0.000 0.513 187 T N 1.115 115.701 114.554 0.053 0.000 2.962 187 T HA -0.109 4.254 4.350 0.021 0.000 0.270 187 T C 1.976 176.683 174.700 0.012 0.000 1.088 187 T CA 1.595 63.722 62.100 0.044 0.000 1.127 187 T CB -1.409 67.475 68.868 0.027 0.000 0.883 187 T HN 0.626 nan 8.240 nan 0.000 0.493 188 T N 0.121 114.672 114.554 -0.004 0.000 2.929 188 T HA 0.084 4.447 4.350 0.021 0.000 0.271 188 T C 1.620 176.332 174.700 0.020 0.000 1.085 188 T CA 0.628 62.717 62.100 -0.019 0.000 1.125 188 T CB -0.668 68.192 68.868 -0.012 0.000 0.874 188 T HN 0.362 nan 8.240 nan 0.000 0.494 189 M N 1.035 120.665 119.600 0.048 0.000 2.581 189 M HA 0.277 4.770 4.480 0.021 0.000 0.224 189 M C 1.912 178.246 176.300 0.055 0.000 1.171 189 M CA -0.132 55.204 55.300 0.060 0.000 0.993 189 M CB 0.066 32.719 32.600 0.088 0.000 1.685 189 M HN 0.167 nan 8.290 nan 0.000 0.479 190 V N 0.460 120.402 119.914 0.047 0.000 2.407 190 V HA -0.227 3.906 4.120 0.021 0.000 0.248 190 V C 2.369 178.497 176.094 0.056 0.000 1.055 190 V CA 1.901 64.236 62.300 0.057 0.000 1.049 190 V CB -0.276 31.580 31.823 0.055 0.000 0.662 190 V HN 0.480 nan 8.190 nan 0.000 0.455 191 R N -0.072 120.446 120.500 0.030 0.000 2.090 191 R HA -0.060 4.293 4.340 0.021 0.000 0.228 191 R C 2.641 178.961 176.300 0.034 0.000 1.110 191 R CA 1.549 57.660 56.100 0.018 0.000 0.973 191 R CB -1.271 28.986 30.300 -0.072 0.000 0.869 191 R HN 0.619 nan 8.270 nan 0.000 0.440 192 S N 0.964 116.677 115.700 0.021 0.000 2.359 192 S HA -0.147 4.336 4.470 0.021 0.000 0.224 192 S C 1.698 176.313 174.600 0.025 0.000 1.035 192 S CA 1.197 59.408 58.200 0.018 0.000 1.018 192 S CB 0.066 63.276 63.200 0.016 0.000 0.876 192 S HN 0.216 nan 8.310 nan 0.000 0.448 193 E N 1.046 121.269 120.200 0.039 0.000 2.072 193 E HA -0.041 4.322 4.350 0.021 0.000 0.191 193 E C 2.227 178.832 176.600 0.007 0.000 0.985 193 E CA 0.916 57.338 56.400 0.036 0.000 0.801 193 E CB -0.595 29.143 29.700 0.063 0.000 0.750 193 E HN 0.534 nan 8.360 nan 0.000 0.452 194 L N 0.968 122.205 121.223 0.023 0.000 2.042 194 L HA -0.216 4.136 4.340 0.021 0.000 0.210 194 L C 2.675 179.417 176.870 -0.213 0.000 1.076 194 L CA 1.484 56.307 54.840 -0.027 0.000 0.749 194 L CB -0.369 41.781 42.059 0.152 0.000 0.893 194 L HN 0.181 nan 8.230 nan 0.000 0.432 195 E N -0.341 119.829 120.200 -0.051 0.000 2.072 195 E HA -0.191 4.171 4.350 0.021 0.000 0.191 195 E C 2.232 178.781 176.600 -0.084 0.000 0.985 195 E CA 1.373 57.744 56.400 -0.048 0.000 0.801 195 E CB 0.136 29.883 29.700 0.077 0.000 0.750 195 E HN 0.378 nan 8.360 nan 0.000 0.452 196 S N 0.549 116.219 115.700 -0.050 0.000 2.368 196 S HA -0.136 4.347 4.470 0.021 0.000 0.225 196 S C 1.945 176.511 174.600 -0.056 0.000 1.030 196 S CA 1.081 59.259 58.200 -0.036 0.000 0.999 196 S CB -0.202 62.992 63.200 -0.010 0.000 0.844 196 S HN 0.282 nan 8.310 nan 0.000 0.459 197 I N 1.423 121.945 120.570 -0.080 0.000 2.179 197 I HA -0.230 3.953 4.170 0.021 0.000 0.242 197 I C 2.376 178.428 176.117 -0.109 0.000 1.088 197 I CA 1.671 62.922 61.300 -0.080 0.000 1.357 197 I CB -0.366 37.585 38.000 -0.082 0.000 1.051 197 I HN 0.283 nan 8.210 nan 0.000 0.409 198 D N 0.740 121.016 120.400 -0.207 0.000 2.097 198 D HA -0.148 4.505 4.640 0.021 0.000 0.197 198 D C 2.155 178.407 176.300 -0.080 0.000 0.984 198 D CA 1.486 55.372 54.000 -0.190 0.000 0.826 198 D CB 0.041 40.590 40.800 -0.419 0.000 0.973 198 D HN 0.271 nan 8.370 nan 0.000 0.460 199 A N -0.117 122.663 122.820 -0.066 0.000 1.898 199 A HA 0.010 4.343 4.320 0.021 0.000 0.216 199 A C 2.261 179.837 177.584 -0.014 0.000 1.181 199 A CA 1.038 53.064 52.037 -0.019 0.000 0.620 199 A CB -0.596 18.401 19.000 -0.006 0.000 0.819 199 A HN 0.383 nan 8.150 nan 0.000 0.442 200 L N -1.839 119.372 121.223 -0.020 0.000 2.529 200 L HA 0.059 4.412 4.340 0.021 0.000 0.223 200 L C 0.348 177.213 176.870 -0.009 0.000 1.113 200 L CA -0.042 54.792 54.840 -0.010 0.000 0.861 200 L CB -0.113 41.943 42.059 -0.006 0.000 1.012 200 L HN 0.273 nan 8.230 nan 0.000 0.461 201 Q N 1.377 121.167 119.800 -0.017 0.000 2.453 201 Q HA -0.200 4.153 4.340 0.021 0.000 0.294 201 Q C -0.110 175.887 176.000 -0.006 0.000 1.295 201 Q CA 1.085 56.881 55.803 -0.013 0.000 0.853 201 Q CB -1.690 27.045 28.738 -0.005 0.000 1.193 201 Q HN 0.772 nan 8.270 nan 0.000 0.461 202 E N -1.605 118.591 120.200 -0.006 0.000 2.191 202 E HA 0.516 4.879 4.350 0.021 0.000 0.274 202 E C 0.025 176.627 176.600 0.002 0.000 0.948 202 E CA -0.585 55.816 56.400 0.003 0.000 0.802 202 E CB 0.889 30.595 29.700 0.009 0.000 1.137 202 E HN 0.148 nan 8.360 nan 0.000 0.397 203 T N 1.482 116.041 114.554 0.009 0.000 3.185 203 T HA 0.239 4.602 4.350 0.021 0.000 0.287 203 T C -0.085 174.625 174.700 0.017 0.000 1.051 203 T CA -0.817 61.289 62.100 0.010 0.000 1.051 203 T CB -0.270 68.607 68.868 0.016 0.000 1.034 203 T HN 0.379 nan 8.240 nan 0.000 0.685 204 R N 2.973 123.483 120.500 0.017 0.000 2.229 204 R HA 0.442 4.795 4.340 0.021 0.000 0.328 204 R C 1.250 177.571 176.300 0.035 0.000 1.009 204 R CA -0.573 55.547 56.100 0.033 0.000 0.864 204 R CB 0.866 31.188 30.300 0.038 0.000 1.085 204 R HN 0.822 nan 8.270 nan 0.000 0.453 205 I N -0.481 120.112 120.570 0.040 0.000 3.956 205 I HA 0.272 4.455 4.170 0.021 0.000 0.333 205 I C 1.527 177.658 176.117 0.023 0.000 1.302 205 I CA 0.029 61.340 61.300 0.018 0.000 1.122 205 I CB 0.520 38.521 38.000 0.003 0.000 1.013 205 I HN 0.634 nan 8.210 nan 0.000 0.405 206 G N 3.626 112.490 108.800 0.107 0.000 2.513 206 G HA2 -0.319 3.654 3.960 0.021 0.000 0.219 206 G HA3 -0.319 3.654 3.960 0.021 0.000 0.219 206 G C 1.586 176.612 174.900 0.211 0.000 1.160 206 G CA 1.723 46.975 45.100 0.254 0.000 0.767 206 G HN 0.747 nan 8.290 nan 0.000 0.571 207 I N -1.204 119.448 120.570 0.136 0.000 2.700 207 I HA 0.151 4.334 4.170 0.021 0.000 0.261 207 I C 2.560 178.698 176.117 0.036 0.000 1.219 207 I CA 1.306 62.666 61.300 0.100 0.000 1.463 207 I CB -0.220 37.820 38.000 0.067 0.000 1.092 207 I HN 0.147 nan 8.210 nan 0.000 0.452 208 A N 1.350 124.162 122.820 -0.013 0.000 2.021 208 A HA 0.238 4.571 4.320 0.021 0.000 0.216 208 A C 2.243 179.763 177.584 -0.106 0.000 1.163 208 A CA 0.711 52.713 52.037 -0.058 0.000 0.676 208 A CB -0.276 18.686 19.000 -0.064 0.000 0.818 208 A HN 0.501 nan 8.150 nan 0.000 0.453 209 L N -2.145 118.965 121.223 -0.189 0.000 2.362 209 L HA 0.263 4.616 4.340 0.021 0.000 0.204 209 L C 0.026 176.718 176.870 -0.297 0.000 1.060 209 L CA -0.087 54.542 54.840 -0.351 0.000 0.827 209 L CB -0.120 41.529 42.059 -0.683 0.000 1.027 209 L HN 0.223 nan 8.230 nan 0.000 0.474 210 F N 0.554 120.531 119.950 0.045 0.000 2.375 210 F HA 0.342 4.884 4.527 0.024 0.000 0.333 210 F C 0.781 176.613 175.800 0.053 0.000 1.104 210 F CA -0.654 57.381 58.000 0.058 0.000 1.149 210 F CB 1.318 40.353 39.000 0.057 0.000 1.190 210 F HN -0.073 nan 8.300 nan 0.000 0.533 211 S N 0.159 116.049 115.700 0.317 0.000 2.720 211 S HA 0.665 5.148 4.470 0.021 0.000 0.287 211 S C -1.788 172.925 174.600 0.187 0.000 1.168 211 S CA -1.141 57.186 58.200 0.212 0.000 0.832 211 S CB 2.159 65.475 63.200 0.194 0.000 1.166 211 S HN 0.361 nan 8.310 nan 0.000 0.493 212 D N 0.125 120.625 120.400 0.166 0.000 2.192 212 D HA 0.726 5.379 4.640 0.021 0.000 0.246 212 D C -0.756 175.614 176.300 0.117 0.000 1.042 212 D CA -0.114 53.947 54.000 0.102 0.000 0.847 212 D CB 1.478 42.315 40.800 0.062 0.000 1.186 212 D HN 0.749 nan 8.370 nan 0.000 0.461 213 C N 1.239 120.526 119.300 -0.021 0.000 3.303 213 C HA 0.759 5.232 4.460 0.021 0.000 0.340 213 C C -1.649 173.221 174.990 -0.200 0.000 1.274 213 C CA -0.346 58.560 59.018 -0.186 0.000 1.234 213 C CB 0.944 28.507 27.740 -0.294 0.000 1.532 213 C HN 0.737 nan 8.230 nan 0.000 0.483 214 A N 2.778 125.452 122.820 -0.244 0.000 2.356 214 A HA 0.935 5.268 4.320 0.021 0.000 0.310 214 A C -0.423 177.077 177.584 -0.139 0.000 1.075 214 A CA 0.136 52.078 52.037 -0.158 0.000 0.746 214 A CB 1.364 20.289 19.000 -0.125 0.000 1.221 214 A HN 1.900 nan 8.150 nan 0.000 0.443 215 S N 0.572 116.253 115.700 -0.032 0.000 2.570 215 S HA 0.928 5.411 4.470 0.021 0.000 0.286 215 S C -0.517 174.220 174.600 0.228 0.000 1.099 215 S CA -0.159 58.084 58.200 0.072 0.000 0.913 215 S CB 1.887 65.153 63.200 0.110 0.000 1.085 215 S HN 2.202 nan 8.310 nan 0.000 0.480 216 A N 1.095 124.009 122.820 0.157 0.000 2.486 216 A HA 0.865 5.198 4.320 0.021 0.000 0.300 216 A C -0.493 177.003 177.584 -0.146 0.000 1.048 216 A CA -0.608 51.468 52.037 0.064 0.000 0.696 216 A CB 1.449 20.468 19.000 0.032 0.000 1.278 216 A HN 2.063 nan 8.150 nan 0.000 0.405 217 V N -0.237 119.461 119.914 -0.359 0.000 2.914 217 V HA 0.798 4.931 4.120 0.021 0.000 0.314 217 V C -0.860 175.098 176.094 -0.227 0.000 1.084 217 V CA -1.018 61.063 62.300 -0.364 0.000 0.963 217 V CB 1.783 33.238 31.823 -0.613 0.000 1.025 217 V HN 0.669 nan 8.190 nan 0.000 0.432 218 I N 3.780 124.258 120.570 -0.153 0.000 2.336 218 I HA 0.495 4.678 4.170 0.021 0.000 0.292 218 I C -0.394 175.657 176.117 -0.110 0.000 0.991 218 I CA -0.367 60.869 61.300 -0.107 0.000 1.227 218 I CB 1.259 39.219 38.000 -0.066 0.000 1.366 218 I HN 0.656 nan 8.210 nan 0.000 0.466 219 L N 6.155 127.311 121.223 -0.110 0.000 2.313 219 L HA 0.485 4.837 4.340 0.021 0.000 0.283 219 L C 0.069 176.895 176.870 -0.072 0.000 1.013 219 L CA 0.217 54.998 54.840 -0.099 0.000 0.816 219 L CB 1.600 43.580 42.059 -0.131 0.000 1.236 219 L HN 0.663 nan 8.230 nan 0.000 0.419 220 S N 2.620 118.293 115.700 -0.046 0.000 2.537 220 S HA 0.415 4.898 4.470 0.021 0.000 0.301 220 S C 0.528 175.119 174.600 -0.015 0.000 1.092 220 S CA -0.580 57.605 58.200 -0.025 0.000 1.048 220 S CB 0.984 64.176 63.200 -0.013 0.000 1.053 220 S HN 0.786 nan 8.310 nan 0.000 0.501 221 N N 2.502 121.201 118.700 -0.001 0.000 2.270 221 N HA 0.177 4.930 4.740 0.021 0.000 0.198 221 N C 1.246 176.771 175.510 0.025 0.000 1.117 221 N CA 0.810 53.870 53.050 0.016 0.000 0.845 221 N CB -0.273 38.231 38.487 0.029 0.000 0.980 221 N HN 1.118 nan 8.380 nan 0.000 0.486 222 G N 0.559 109.370 108.800 0.019 0.000 2.257 222 G HA2 -0.312 3.661 3.960 0.021 0.000 0.267 222 G HA3 -0.312 3.661 3.960 0.021 0.000 0.267 222 G C 0.048 174.959 174.900 0.020 0.000 0.984 222 G CA 0.447 45.557 45.100 0.017 0.000 0.626 222 G HN 0.443 nan 8.290 nan 0.000 0.540 223 I N 1.333 121.920 120.570 0.029 0.000 2.533 223 I HA 0.377 4.560 4.170 0.021 0.000 0.284 223 I C 1.714 177.846 176.117 0.025 0.000 1.109 223 I CA 1.394 62.710 61.300 0.028 0.000 1.412 223 I CB 0.621 38.643 38.000 0.036 0.000 1.396 223 I HN 0.892 nan 8.210 nan 0.000 0.543 224 G N 3.982 112.792 108.800 0.016 0.000 2.148 224 G HA2 -0.196 3.777 3.960 0.021 0.000 0.254 224 G HA3 -0.196 3.777 3.960 0.021 0.000 0.254 224 G C 0.043 174.949 174.900 0.010 0.000 0.981 224 G CA -0.379 44.729 45.100 0.013 0.000 0.670 224 G HN 0.612 nan 8.290 nan 0.000 0.528 225 E N 0.061 120.266 120.200 0.008 0.000 2.191 225 E HA 0.640 5.003 4.350 0.021 0.000 0.274 225 E C 0.689 177.290 176.600 0.002 0.000 0.948 225 E CA 0.023 56.425 56.400 0.004 0.000 0.802 225 E CB 1.680 31.382 29.700 0.002 0.000 1.137 225 E HN 0.712 nan 8.360 nan 0.000 0.397 226 A N 4.056 126.876 122.820 -0.001 0.000 2.531 226 A HA 0.212 4.544 4.320 0.021 0.000 0.236 226 A C -2.060 175.522 177.584 -0.003 0.000 1.062 226 A CA -0.715 51.321 52.037 -0.002 0.000 0.760 226 A CB -0.625 18.372 19.000 -0.004 0.000 0.995 226 A HN 0.267 nan 8.150 nan 0.000 0.501 227 P HA 0.305 nan 4.420 nan 0.000 0.264 227 P C 0.961 178.257 177.300 -0.005 0.000 1.193 227 P CA 1.605 64.704 63.100 -0.003 0.000 0.763 227 P CB 0.629 32.328 31.700 -0.001 0.000 0.810 228 G N 1.541 110.336 108.800 -0.007 0.000 2.176 228 G HA2 -0.267 3.706 3.960 0.021 0.000 0.253 228 G HA3 -0.267 3.706 3.960 0.021 0.000 0.253 228 G C 0.235 175.127 174.900 -0.015 0.000 0.979 228 G CA 0.176 45.269 45.100 -0.011 0.000 0.641 228 G HN 0.747 nan 8.290 nan 0.000 0.530 229 K N 2.007 122.399 120.400 -0.013 0.000 2.489 229 K HA 0.413 4.746 4.320 0.021 0.000 0.278 229 K C -1.464 175.122 176.600 -0.023 0.000 1.000 229 K CA -0.779 55.498 56.287 -0.016 0.000 1.012 229 K CB 0.440 32.932 32.500 -0.013 0.000 0.903 229 K HN 0.191 nan 8.250 nan 0.000 0.485 230 P HA 0.229 nan 4.420 nan 0.000 0.280 230 P C -1.349 175.923 177.300 -0.046 0.000 1.244 230 P CA -0.528 62.548 63.100 -0.041 0.000 0.784 230 P CB 1.639 33.313 31.700 -0.042 0.000 0.913 231 A N 2.323 125.108 122.820 -0.059 0.000 2.389 231 A HA 0.650 4.983 4.320 0.021 0.000 0.293 231 A C 0.808 178.323 177.584 -0.116 0.000 1.186 231 A CA -0.683 51.315 52.037 -0.065 0.000 0.828 231 A CB 0.734 19.709 19.000 -0.043 0.000 1.369 231 A HN 0.429 nan 8.150 nan 0.000 0.446 232 I N -1.769 118.714 120.570 -0.144 0.000 2.947 232 I HA 0.170 4.353 4.170 0.021 0.000 0.263 232 I C -0.594 175.208 176.117 -0.526 0.000 1.130 232 I CA 0.635 61.737 61.300 -0.330 0.000 1.448 232 I CB 0.106 37.923 38.000 -0.304 0.000 1.222 232 I HN 0.550 nan 8.210 nan 0.000 0.453 233 Y N 0.518 120.786 120.300 -0.055 0.000 2.477 233 Y HA 0.390 4.953 4.550 0.021 0.000 0.347 233 Y C -0.807 175.063 175.900 -0.049 0.000 0.981 233 Y CA -1.490 56.576 58.100 -0.057 0.000 1.033 233 Y CB 1.126 39.559 38.460 -0.044 0.000 1.245 233 Y HN -0.122 nan 8.280 nan 0.000 0.455 234 D N 2.507 122.969 120.400 0.103 0.000 2.210 234 D HA 0.225 4.878 4.640 0.021 0.000 0.249 234 D C -0.919 175.439 176.300 0.097 0.000 1.078 234 D CA -0.412 53.630 54.000 0.070 0.000 0.875 234 D CB 2.291 43.109 40.800 0.031 0.000 1.175 234 D HN 0.314 nan 8.370 nan 0.000 0.440 235 L N 3.354 124.637 121.223 0.100 0.000 2.261 235 L HA 0.169 4.521 4.340 0.021 0.000 0.289 235 L C 0.489 177.458 176.870 0.164 0.000 1.059 235 L CA 0.043 54.965 54.840 0.137 0.000 0.816 235 L CB 0.408 42.555 42.059 0.147 0.000 1.191 235 L HN 0.409 nan 8.230 nan 0.000 0.431 236 L N 4.299 125.596 121.223 0.122 0.000 2.253 236 L HA 0.455 4.808 4.340 0.021 0.000 0.205 236 L C 1.043 177.873 176.870 -0.067 0.000 1.078 236 L CA 0.548 55.417 54.840 0.049 0.000 0.805 236 L CB -0.271 41.821 42.059 0.056 0.000 0.963 236 L HN 0.777 nan 8.230 nan 0.000 0.459 237 G N -1.144 107.632 108.800 -0.041 0.000 2.506 237 G HA2 0.420 4.393 3.960 0.021 0.000 0.292 237 G HA3 0.420 4.393 3.960 0.021 0.000 0.292 237 G C -2.614 172.280 174.900 -0.011 0.000 1.425 237 G CA -0.429 44.472 45.100 -0.331 0.000 0.788 237 G HN 0.115 nan 8.290 nan 0.000 0.490 238 W N -0.770 120.485 121.300 -0.074 0.000 3.275 238 W HA 0.828 5.500 4.660 0.021 0.000 0.306 238 W C -1.091 175.383 176.519 -0.074 0.000 1.259 238 W CA -1.080 56.218 57.345 -0.079 0.000 1.194 238 W CB 1.233 30.655 29.460 -0.064 0.000 1.375 238 W HN 0.522 nan 8.180 nan 0.000 0.564 239 E N 2.345 122.634 120.200 0.150 0.000 2.340 239 E HA 0.376 4.739 4.350 0.021 0.000 0.273 239 E C -1.126 175.529 176.600 0.090 0.000 0.891 239 E CA -0.973 55.473 56.400 0.077 0.000 0.757 239 E CB 2.503 32.201 29.700 -0.005 0.000 1.231 239 E HN 0.552 nan 8.360 nan 0.000 0.439 240 N N 1.265 120.011 118.700 0.077 0.000 2.287 240 N HA 0.489 5.241 4.740 0.021 0.000 0.289 240 N C -0.702 174.829 175.510 0.035 0.000 1.066 240 N CA -0.683 52.392 53.050 0.043 0.000 0.841 240 N CB 2.575 41.089 38.487 0.046 0.000 1.599 240 N HN 0.302 nan 8.380 nan 0.000 0.476 241 R N 0.655 121.171 120.500 0.026 0.000 2.707 241 R HA 0.503 4.855 4.340 0.021 0.000 0.272 241 R C -1.223 175.102 176.300 0.041 0.000 1.011 241 R CA -0.914 55.207 56.100 0.035 0.000 0.893 241 R CB 2.466 32.791 30.300 0.041 0.000 1.233 241 R HN 0.350 nan 8.270 nan 0.000 0.464 242 V N 3.334 123.274 119.914 0.044 0.000 2.435 242 V HA 0.401 4.533 4.120 0.021 0.000 0.290 242 V C 0.404 176.533 176.094 0.058 0.000 1.030 242 V CA -0.727 61.603 62.300 0.050 0.000 0.881 242 V CB 1.665 33.513 31.823 0.041 0.000 0.983 242 V HN 0.556 nan 8.190 nan 0.000 0.445 243 I N 7.400 128.013 120.570 0.071 0.000 2.452 243 I HA 0.215 4.398 4.170 0.021 0.000 0.287 243 I C -2.030 174.121 176.117 0.057 0.000 1.079 243 I CA -1.464 59.876 61.300 0.068 0.000 1.387 243 I CB 1.036 39.082 38.000 0.077 0.000 1.404 243 I HN 0.435 nan 8.210 nan 0.000 0.522 244 P HA 0.018 nan 4.420 nan 0.000 0.267 244 P C -0.529 176.810 177.300 0.065 0.000 1.200 244 P CA 0.084 63.216 63.100 0.052 0.000 0.772 244 P CB 0.262 31.989 31.700 0.045 0.000 0.855 245 D N 0.093 120.537 120.400 0.073 0.000 2.702 245 D HA -0.161 4.492 4.640 0.021 0.000 0.233 245 D C 0.039 176.444 176.300 0.174 0.000 1.164 245 D CA 1.682 55.745 54.000 0.105 0.000 0.638 245 D CB -1.744 39.105 40.800 0.082 0.000 1.041 245 D HN 0.365 nan 8.370 nan 0.000 0.422 246 S N -2.332 113.445 115.700 0.127 0.000 2.846 246 S HA 0.255 4.738 4.470 0.021 0.000 0.249 246 S C 1.271 175.882 174.600 0.018 0.000 1.028 246 S CA -0.597 57.630 58.200 0.044 0.000 1.043 246 S CB 0.593 63.794 63.200 0.001 0.000 0.990 246 S HN 0.114 nan 8.310 nan 0.000 0.564 247 E N 2.465 122.744 120.200 0.133 0.000 2.118 247 E HA -0.199 4.164 4.350 0.021 0.000 0.195 247 E C 1.861 178.526 176.600 0.108 0.000 0.992 247 E CA 1.784 58.250 56.400 0.110 0.000 0.804 247 E CB -0.402 29.370 29.700 0.120 0.000 0.741 247 E HN 0.876 nan 8.360 nan 0.000 0.458 248 H N -0.352 118.734 119.070 0.027 0.000 2.555 248 H HA 0.074 4.643 4.556 0.021 0.000 0.269 248 H C 0.630 175.975 175.328 0.029 0.000 0.988 248 H CA 0.927 56.991 56.048 0.026 0.000 1.178 248 H CB 0.119 29.894 29.762 0.022 0.000 1.373 248 H HN 0.147 nan 8.280 nan 0.000 0.588 249 D N 0.454 120.641 120.400 -0.355 0.000 2.240 249 D HA 0.077 4.730 4.640 0.021 0.000 0.206 249 D C 0.025 176.268 176.300 -0.095 0.000 0.963 249 D CA 0.289 54.116 54.000 -0.288 0.000 0.863 249 D CB 0.692 41.295 40.800 -0.328 0.000 0.973 249 D HN 0.203 nan 8.370 nan 0.000 0.501 250 L N -0.439 120.757 121.223 -0.045 0.000 2.464 250 L HA 0.591 4.944 4.340 0.021 0.000 0.266 250 L C -0.234 176.652 176.870 0.025 0.000 0.965 250 L CA -0.147 54.700 54.840 0.012 0.000 0.833 250 L CB 2.081 44.154 42.059 0.024 0.000 1.296 250 L HN 0.058 nan 8.230 nan 0.000 0.405 251 G N 1.803 110.625 108.800 0.038 0.000 2.342 251 G HA2 0.563 4.536 3.960 0.021 0.000 0.297 251 G HA3 0.563 4.536 3.960 0.021 0.000 0.297 251 G C -1.415 173.507 174.900 0.037 0.000 1.313 251 G CA -0.066 45.053 45.100 0.032 0.000 0.830 251 G HN 0.856 nan 8.290 nan 0.000 0.506 252 G N 0.257 109.086 108.800 0.048 0.000 2.704 252 G HA2 0.527 4.500 3.960 0.021 0.000 0.279 252 G HA3 0.527 4.500 3.960 0.021 0.000 0.279 252 G C -1.703 173.330 174.900 0.221 0.000 1.510 252 G CA -0.467 44.696 45.100 0.104 0.000 1.144 252 G HN 0.372 nan 8.290 nan 0.000 0.564 253 D N 1.775 122.288 120.400 0.188 0.000 2.274 253 D HA 0.213 4.866 4.640 0.021 0.000 0.239 253 D C 0.670 177.013 176.300 0.072 0.000 1.104 253 D CA -0.229 53.853 54.000 0.138 0.000 0.840 253 D CB 2.559 43.399 40.800 0.066 0.000 1.100 253 D HN 0.222 nan 8.370 nan 0.000 0.477 254 V N 2.578 122.513 119.914 0.035 0.000 2.720 254 V HA -0.051 4.082 4.120 0.021 0.000 0.307 254 V C -0.023 175.891 176.094 -0.300 0.000 1.071 254 V CA 0.961 63.057 62.300 -0.340 0.000 1.199 254 V CB 0.920 32.642 31.823 -0.170 0.000 0.900 254 V HN 0.617 nan 8.190 nan 0.000 0.494 255 D N 5.066 125.197 120.400 -0.448 0.000 2.661 255 D HA 0.523 5.176 4.640 0.021 0.000 0.228 255 D C -2.052 174.074 176.300 -0.291 0.000 1.210 255 D CA -1.130 52.705 54.000 -0.274 0.000 0.826 255 D CB 2.344 43.027 40.800 -0.196 0.000 1.542 255 D HN 0.235 nan 8.370 nan 0.000 0.447 256 P HA -0.142 nan 4.420 nan 0.000 0.218 256 P C 0.882 178.085 177.300 -0.161 0.000 1.147 256 P CA 1.386 64.392 63.100 -0.156 0.000 0.827 256 P CB 0.076 31.716 31.700 -0.100 0.000 0.778 257 M N -2.262 117.242 119.600 -0.160 0.000 2.419 257 M HA 0.279 4.772 4.480 0.021 0.000 0.252 257 M C 1.004 177.215 176.300 -0.148 0.000 1.143 257 M CA 0.293 55.520 55.300 -0.122 0.000 0.985 257 M CB 0.491 33.048 32.600 -0.072 0.000 1.489 257 M HN 0.043 nan 8.290 nan 0.000 0.484 258 G N 0.447 109.051 108.800 -0.326 0.000 2.541 258 G HA2 -0.155 3.818 3.960 0.021 0.000 0.208 258 G HA3 -0.155 3.818 3.960 0.021 0.000 0.208 258 G C -1.709 172.794 174.900 -0.662 0.000 1.191 258 G CA -0.851 43.986 45.100 -0.438 0.000 1.217 258 G HN 0.354 nan 8.290 nan 0.000 0.566 259 W N 1.775 123.053 121.300 -0.037 0.000 2.554 259 W HA 0.531 5.203 4.660 0.020 0.000 0.324 259 W C -0.358 176.139 176.519 -0.038 0.000 1.018 259 W CA -0.917 56.403 57.345 -0.042 0.000 1.243 259 W CB 1.877 31.296 29.460 -0.067 0.000 1.345 259 W HN 0.186 nan 8.180 nan 0.000 0.441 260 K N 2.907 123.375 120.400 0.114 0.000 2.338 260 K HA 0.202 4.534 4.320 0.021 0.000 0.290 260 K C 0.136 176.795 176.600 0.098 0.000 1.069 260 K CA -0.410 55.924 56.287 0.079 0.000 0.941 260 K CB 1.254 33.776 32.500 0.036 0.000 1.023 260 K HN 0.176 nan 8.250 nan 0.000 0.477 261 V N 3.732 123.702 119.914 0.093 0.000 2.673 261 V HA -0.032 4.101 4.120 0.021 0.000 0.303 261 V C 0.411 176.559 176.094 0.090 0.000 1.046 261 V CA -0.091 62.265 62.300 0.093 0.000 1.126 261 V CB 0.993 32.900 31.823 0.139 0.000 0.934 261 V HN 0.343 nan 8.190 nan 0.000 0.487 262 V N 6.756 126.720 119.914 0.083 0.000 2.417 262 V HA 0.521 4.654 4.120 0.021 0.000 0.291 262 V C -0.388 175.749 176.094 0.073 0.000 1.024 262 V CA -0.505 61.837 62.300 0.070 0.000 0.861 262 V CB 1.483 33.342 31.823 0.060 0.000 0.985 262 V HN 0.612 nan 8.190 nan 0.000 0.436 263 L N 5.987 127.248 121.223 0.062 0.000 2.628 263 L HA 0.477 4.830 4.340 0.021 0.000 0.258 263 L C 0.073 176.957 176.870 0.023 0.000 1.027 263 L CA 0.048 54.921 54.840 0.055 0.000 0.910 263 L CB 1.638 43.755 42.059 0.096 0.000 1.157 263 L HN 0.729 nan 8.230 nan 0.000 0.452 264 S N 3.840 119.535 115.700 -0.009 0.000 2.652 264 S HA 0.672 5.155 4.470 0.021 0.000 0.270 264 S C -1.662 172.922 174.600 -0.026 0.000 1.243 264 S CA -0.721 57.467 58.200 -0.020 0.000 0.999 264 S CB 0.960 64.125 63.200 -0.058 0.000 0.973 264 S HN 0.589 nan 8.310 nan 0.000 0.544 265 P HA 0.042 nan 4.420 nan 0.000 0.237 265 P C 0.817 178.092 177.300 -0.040 0.000 1.178 265 P CA 0.518 63.604 63.100 -0.024 0.000 0.766 265 P CB 0.023 31.718 31.700 -0.010 0.000 0.876 266 R N -0.401 120.069 120.500 -0.050 0.000 2.189 266 R HA 0.006 4.359 4.340 0.021 0.000 0.218 266 R C 2.152 178.401 176.300 -0.085 0.000 1.074 266 R CA 0.469 56.532 56.100 -0.061 0.000 0.991 266 R CB -0.702 29.558 30.300 -0.067 0.000 0.883 266 R HN 0.061 nan 8.270 nan 0.000 0.457 267 V N 1.768 121.625 119.914 -0.095 0.000 2.252 267 V HA -0.215 3.918 4.120 0.021 0.000 0.249 267 V C -0.817 175.172 176.094 -0.176 0.000 1.056 267 V CA 2.033 64.261 62.300 -0.120 0.000 1.022 267 V CB -1.165 30.602 31.823 -0.092 0.000 0.641 267 V HN 0.231 nan 8.190 nan 0.000 0.445 268 P HA -0.109 nan 4.420 nan 0.000 0.215 268 P C 1.922 179.115 177.300 -0.179 0.000 1.157 268 P CA 1.352 64.339 63.100 -0.189 0.000 0.868 268 P CB -0.126 31.494 31.700 -0.132 0.000 0.788 269 V N -0.582 119.258 119.914 -0.123 0.000 2.287 269 V HA -0.237 3.896 4.120 0.021 0.000 0.248 269 V C 2.470 178.507 176.094 -0.096 0.000 1.053 269 V CA 1.705 63.948 62.300 -0.094 0.000 1.027 269 V CB -1.274 30.512 31.823 -0.062 0.000 0.646 269 V HN 0.075 nan 8.190 nan 0.000 0.447 270 L N -0.101 121.060 121.223 -0.103 0.000 2.056 270 L HA -0.126 4.227 4.340 0.021 0.000 0.207 270 L C 2.745 179.551 176.870 -0.107 0.000 1.078 270 L CA 1.528 56.321 54.840 -0.077 0.000 0.749 270 L CB -0.769 41.253 42.059 -0.061 0.000 0.901 270 L HN 0.362 nan 8.230 nan 0.000 0.433 271 A N -0.108 122.544 122.820 -0.280 0.000 1.902 271 A HA -0.258 4.075 4.320 0.021 0.000 0.217 271 A C 2.382 179.783 177.584 -0.306 0.000 1.181 271 A CA 1.905 53.570 52.037 -0.621 0.000 0.623 271 A CB -0.435 17.742 19.000 -1.371 0.000 0.818 271 A HN 0.303 nan 8.150 nan 0.000 0.443 272 K N -0.393 119.878 120.400 -0.215 0.000 2.057 272 K HA -0.078 4.255 4.320 0.021 0.000 0.207 272 K C 2.047 178.638 176.600 -0.014 0.000 1.049 272 K CA 1.156 57.385 56.287 -0.096 0.000 0.931 272 K CB -0.291 32.147 32.500 -0.104 0.000 0.714 272 K HN 0.384 nan 8.250 nan 0.000 0.440 273 A N 0.572 123.385 122.820 -0.012 0.000 2.121 273 A HA -0.102 4.231 4.320 0.021 0.000 0.218 273 A C 1.937 179.561 177.584 0.067 0.000 1.154 273 A CA 1.791 53.840 52.037 0.020 0.000 0.679 273 A CB -0.384 18.622 19.000 0.010 0.000 0.795 273 A HN 0.512 nan 8.150 nan 0.000 0.458 274 S N -0.709 115.062 115.700 0.119 0.000 2.486 274 S HA 0.105 4.588 4.470 0.021 0.000 0.220 274 S C 1.756 176.477 174.600 0.201 0.000 1.011 274 S CA 0.557 58.862 58.200 0.175 0.000 0.921 274 S CB -0.542 62.811 63.200 0.255 0.000 0.785 274 S HN 0.419 nan 8.310 nan 0.000 0.517 275 L N 1.062 122.419 121.223 0.223 0.000 1.970 275 L HA -0.207 4.145 4.340 0.021 0.000 0.212 275 L C 3.037 180.033 176.870 0.210 0.000 1.071 275 L CA 1.940 56.920 54.840 0.232 0.000 0.751 275 L CB -0.802 41.358 42.059 0.168 0.000 0.889 275 L HN 0.328 nan 8.230 nan 0.000 0.432 276 Q N -0.362 119.522 119.800 0.139 0.000 2.030 276 Q HA -0.169 4.184 4.340 0.021 0.000 0.204 276 Q C -0.368 175.747 176.000 0.192 0.000 0.986 276 Q CA 1.814 57.706 55.803 0.150 0.000 0.843 276 Q CB -1.562 27.223 28.738 0.078 0.000 0.904 276 Q HN 0.403 nan 8.270 nan 0.000 0.420 277 P HA -0.103 nan 4.420 nan 0.000 0.216 277 P C 0.939 178.302 177.300 0.106 0.000 1.153 277 P CA 1.482 64.646 63.100 0.107 0.000 0.848 277 P CB -0.070 31.679 31.700 0.082 0.000 0.787 278 T N -1.415 113.214 114.554 0.125 0.000 2.737 278 T HA -0.205 4.157 4.350 0.021 0.000 0.265 278 T C 1.676 176.434 174.700 0.098 0.000 1.038 278 T CA 1.218 63.375 62.100 0.095 0.000 1.144 278 T CB -1.287 67.634 68.868 0.089 0.000 0.866 278 T HN 0.098 nan 8.240 nan 0.000 0.434 279 Y N 2.345 122.677 120.300 0.054 0.000 2.165 279 Y HA -0.122 4.441 4.550 0.022 0.000 0.286 279 Y C 2.527 178.431 175.900 0.007 0.000 1.155 279 Y CA 1.065 59.188 58.100 0.038 0.000 1.164 279 Y CB -0.653 37.911 38.460 0.172 0.000 0.978 279 Y HN 0.188 nan 8.280 nan 0.000 0.513 280 A N 0.260 123.134 122.820 0.090 0.000 1.877 280 A HA -0.204 4.128 4.320 0.021 0.000 0.216 280 A C 1.988 179.509 177.584 -0.105 0.000 1.186 280 A CA 2.007 54.036 52.037 -0.013 0.000 0.620 280 A CB -0.881 18.169 19.000 0.084 0.000 0.822 280 A HN 0.570 nan 8.150 nan 0.000 0.443 281 D N -0.391 119.970 120.400 -0.065 0.000 2.084 281 D HA -0.140 4.512 4.640 0.021 0.000 0.194 281 D C 1.904 178.118 176.300 -0.142 0.000 0.990 281 D CA 1.414 55.366 54.000 -0.080 0.000 0.826 281 D CB -0.553 40.222 40.800 -0.043 0.000 0.971 281 D HN 0.307 nan 8.370 nan 0.000 0.453 282 L N 0.680 121.796 121.223 -0.178 0.000 1.978 282 L HA -0.198 4.154 4.340 0.021 0.000 0.218 282 L C 2.300 178.992 176.870 -0.296 0.000 1.075 282 L CA 1.519 56.215 54.840 -0.239 0.000 0.767 282 L CB -0.809 41.090 42.059 -0.268 0.000 0.890 282 L HN 0.011 nan 8.230 nan 0.000 0.434 283 L N -0.721 120.253 121.223 -0.415 0.000 2.056 283 L HA -0.168 4.184 4.340 0.021 0.000 0.207 283 L C 2.744 179.486 176.870 -0.214 0.000 1.078 283 L CA 1.972 56.581 54.840 -0.386 0.000 0.749 283 L CB -0.698 41.030 42.059 -0.552 0.000 0.901 283 L HN 0.617 nan 8.230 nan 0.000 0.433 284 S N -2.049 113.546 115.700 -0.174 0.000 2.507 284 S HA -0.119 4.363 4.470 0.021 0.000 0.235 284 S C 2.016 176.552 174.600 -0.107 0.000 0.988 284 S CA 0.878 59.012 58.200 -0.109 0.000 0.944 284 S CB -0.740 62.414 63.200 -0.077 0.000 0.762 284 S HN 0.602 nan 8.310 nan 0.000 0.526 285 S N 1.825 117.442 115.700 -0.138 0.000 2.446 285 S HA 0.114 4.597 4.470 0.021 0.000 0.225 285 S C 1.280 175.797 174.600 -0.139 0.000 1.016 285 S CA 0.452 58.567 58.200 -0.143 0.000 0.943 285 S CB -0.565 62.525 63.200 -0.182 0.000 0.786 285 S HN 0.783 nan 8.310 nan 0.000 0.508 286 L N -0.415 120.724 121.223 -0.140 0.000 3.333 286 L HA 0.463 4.816 4.340 0.021 0.000 0.299 286 L C 1.635 178.449 176.870 -0.093 0.000 1.256 286 L CA -0.334 54.436 54.840 -0.117 0.000 1.037 286 L CB -0.534 41.448 42.059 -0.128 0.000 1.423 286 L HN 0.228 nan 8.230 nan 0.000 0.605 287 Q N -0.348 119.401 119.800 -0.084 0.000 2.181 287 Q HA -0.189 4.164 4.340 0.021 0.000 0.205 287 Q C 0.465 176.440 176.000 -0.042 0.000 0.980 287 Q CA 1.980 57.749 55.803 -0.056 0.000 0.862 287 Q CB -0.458 28.255 28.738 -0.042 0.000 0.905 287 Q HN 0.544 nan 8.270 nan 0.000 0.429 288 D N 0.870 121.245 120.400 -0.042 0.000 2.348 288 D HA -0.081 4.572 4.640 0.021 0.000 0.216 288 D C 1.367 177.651 176.300 -0.027 0.000 0.970 288 D CA 0.750 54.732 54.000 -0.029 0.000 0.889 288 D CB 0.088 40.871 40.800 -0.028 0.000 0.912 288 D HN 0.516 nan 8.370 nan 0.000 0.524 289 Q N -0.278 119.499 119.800 -0.038 0.000 2.408 289 Q HA 0.179 4.532 4.340 0.021 0.000 0.205 289 Q C 0.413 176.388 176.000 -0.041 0.000 0.919 289 Q CA 0.182 55.970 55.803 -0.025 0.000 0.932 289 Q CB 0.860 29.584 28.738 -0.022 0.000 1.058 289 Q HN 0.206 nan 8.270 nan 0.000 0.517 290 L N 1.609 122.780 121.223 -0.087 0.000 2.322 290 L HA 0.411 4.763 4.340 0.021 0.000 0.279 290 L C -2.160 174.669 176.870 -0.067 0.000 1.036 290 L CA -2.304 52.427 54.840 -0.182 0.000 0.807 290 L CB 0.952 42.885 42.059 -0.211 0.000 1.226 290 L HN -0.103 nan 8.230 nan 0.000 0.433 291 P HA 0.054 nan 4.420 nan 0.000 0.272 291 P C 0.516 177.852 177.300 0.059 0.000 1.240 291 P CA -0.428 62.716 63.100 0.074 0.000 0.791 291 P CB 0.628 32.446 31.700 0.197 0.000 0.978 292 S N -0.509 115.212 115.700 0.036 0.000 2.419 292 S HA -0.161 4.322 4.470 0.021 0.000 0.235 292 S C 1.423 175.997 174.600 -0.043 0.000 1.019 292 S CA 1.572 59.774 58.200 0.003 0.000 0.982 292 S CB -1.399 61.802 63.200 0.001 0.000 0.789 292 S HN 0.483 nan 8.310 nan 0.000 0.490 293 S N -0.574 115.081 115.700 -0.075 0.000 2.603 293 S HA 0.192 4.675 4.470 0.021 0.000 0.220 293 S C -0.215 173.990 174.600 -0.659 0.000 0.967 293 S CA -0.285 57.736 58.200 -0.299 0.000 0.920 293 S CB -0.571 62.444 63.200 -0.309 0.000 0.773 293 S HN 0.658 nan 8.310 nan 0.000 0.529 294 Y N 1.319 121.493 120.300 -0.210 0.000 2.562 294 Y HA 0.461 5.023 4.550 0.021 0.000 0.363 294 Y C 1.212 177.022 175.900 -0.151 0.000 0.991 294 Y CA -0.759 57.080 58.100 -0.435 0.000 1.121 294 Y CB 0.360 38.452 38.460 -0.613 0.000 1.159 294 Y HN 0.137 nan 8.280 nan 0.000 0.651 295 Q N 0.944 120.763 119.800 0.032 0.000 2.481 295 Q HA 0.115 4.468 4.340 0.021 0.000 0.219 295 Q C 0.263 176.467 176.000 0.341 0.000 0.920 295 Q CA 0.420 56.321 55.803 0.164 0.000 0.915 295 Q CB 0.814 29.598 28.738 0.078 0.000 1.057 295 Q HN 0.522 nan 8.270 nan 0.000 0.581 296 K N -0.485 120.100 120.400 0.309 0.000 2.238 296 K HA 0.381 4.713 4.320 0.021 0.000 0.239 296 K C -2.418 174.499 176.600 0.527 0.000 0.987 296 K CA -1.767 54.746 56.287 0.377 0.000 0.857 296 K CB 1.466 34.076 32.500 0.183 0.000 1.154 296 K HN -0.308 nan 8.250 nan 0.000 0.439 297 P HA -0.240 nan 4.420 nan 0.000 0.216 297 P C 1.001 178.607 177.300 0.511 0.000 1.153 297 P CA 1.902 65.216 63.100 0.356 0.000 0.858 297 P CB -0.092 31.512 31.700 -0.160 0.000 0.789 298 A N -0.387 122.550 122.820 0.195 0.000 2.121 298 A HA -0.167 4.166 4.320 0.021 0.000 0.218 298 A C 1.715 179.515 177.584 0.360 0.000 1.154 298 A CA 1.511 53.626 52.037 0.131 0.000 0.679 298 A CB -1.178 17.828 19.000 0.011 0.000 0.795 298 A HN 0.104 nan 8.150 nan 0.000 0.458 299 D N -1.100 119.443 120.400 0.238 0.000 2.348 299 D HA 0.063 4.716 4.640 0.021 0.000 0.216 299 D C -0.164 176.103 176.300 -0.054 0.000 0.970 299 D CA 0.640 54.595 54.000 -0.076 0.000 0.889 299 D CB -0.036 40.531 40.800 -0.388 0.000 0.912 299 D HN 0.470 nan 8.370 nan 0.000 0.524 300 F N 0.786 121.024 119.950 0.479 0.000 2.507 300 F HA 0.258 4.798 4.527 0.021 0.000 0.327 300 F C 0.904 177.033 175.800 0.550 0.000 1.068 300 F CA -1.227 57.061 58.000 0.481 0.000 0.965 300 F CB 1.120 40.282 39.000 0.270 0.000 1.192 300 F HN -0.392 nan 8.300 nan 0.000 0.476 301 D N 0.546 121.289 120.400 0.571 0.000 2.341 301 D HA 0.099 4.752 4.640 0.021 0.000 0.245 301 D C -1.181 175.365 176.300 0.410 0.000 1.106 301 D CA 0.263 54.553 54.000 0.484 0.000 0.905 301 D CB 0.823 41.811 40.800 0.313 0.000 1.202 301 D HN 0.319 nan 8.370 nan 0.000 0.426 302 W N 0.464 121.917 121.300 0.256 0.000 2.475 302 W HA 0.511 5.185 4.660 0.023 0.000 0.320 302 W C -0.308 176.292 176.519 0.135 0.000 1.022 302 W CA -0.857 56.598 57.345 0.183 0.000 1.240 302 W CB 1.314 30.870 29.460 0.161 0.000 1.328 302 W HN 0.310 nan 8.180 nan 0.000 0.439 303 A N 5.052 127.996 122.820 0.206 0.000 2.910 303 A HA 0.533 4.866 4.320 0.021 0.000 0.316 303 A C -0.432 177.250 177.584 0.163 0.000 1.493 303 A CA -0.520 51.607 52.037 0.150 0.000 1.150 303 A CB -0.337 18.692 19.000 0.048 0.000 1.159 303 A HN 0.590 nan 8.150 nan 0.000 0.526 304 M N 2.542 122.265 119.600 0.205 0.000 2.188 304 M HA 0.193 4.686 4.480 0.021 0.000 0.357 304 M C 0.253 176.637 176.300 0.141 0.000 1.204 304 M CA -0.200 55.213 55.300 0.189 0.000 1.095 304 M CB 0.415 33.126 32.600 0.184 0.000 1.604 304 M HN 0.629 nan 8.290 nan 0.000 0.464 305 H N 6.775 125.886 119.070 0.069 0.000 3.026 305 H HA 0.168 4.738 4.556 0.022 0.000 0.289 305 H C -2.175 173.183 175.328 0.050 0.000 1.022 305 H CA -1.278 54.806 56.048 0.060 0.000 1.477 305 H CB 0.721 30.518 29.762 0.057 0.000 1.510 305 H HN 0.474 nan 8.280 nan 0.000 0.535 306 P HA 0.087 nan 4.420 nan 0.000 0.225 306 P C 1.070 178.027 177.300 -0.571 0.000 1.813 306 P CA -0.073 62.747 63.100 -0.466 0.000 1.013 306 P CB -0.061 31.445 31.700 -0.323 0.000 1.961 307 G N 1.462 109.932 108.800 -0.550 0.000 2.469 307 G HA2 0.020 3.992 3.960 0.021 0.000 0.220 307 G HA3 0.020 3.992 3.960 0.021 0.000 0.220 307 G C 0.710 175.486 174.900 -0.206 0.000 1.136 307 G CA 0.719 45.645 45.100 -0.289 0.000 0.759 307 G HN 0.655 nan 8.290 nan 0.000 0.562 308 G N -3.225 105.396 108.800 -0.298 0.000 2.576 308 G HA2 0.576 4.549 3.960 0.021 0.000 0.290 308 G HA3 0.576 4.549 3.960 0.021 0.000 0.290 308 G C 0.579 175.178 174.900 -0.503 0.000 1.442 308 G CA 0.073 45.011 45.100 -0.271 0.000 0.792 308 G HN 0.618 nan 8.290 nan 0.000 0.491 309 A N -0.403 122.180 122.820 -0.394 0.000 1.917 309 A HA -0.035 4.297 4.320 0.021 0.000 0.219 309 A C 2.627 180.078 177.584 -0.222 0.000 1.182 309 A CA 3.448 55.286 52.037 -0.331 0.000 0.633 309 A CB -1.326 17.657 19.000 -0.028 0.000 0.819 309 A HN 1.747 nan 8.150 nan 0.000 0.448 310 T N -1.544 112.914 114.554 -0.159 0.000 2.849 310 T HA -0.126 4.237 4.350 0.021 0.000 0.270 310 T C 1.699 176.295 174.700 -0.173 0.000 1.066 310 T CA 1.309 63.328 62.100 -0.135 0.000 1.130 310 T CB -0.450 68.352 68.868 -0.109 0.000 0.864 310 T HN 0.253 nan 8.240 nan 0.000 0.481 311 I N 1.481 121.917 120.570 -0.224 0.000 2.179 311 I HA -0.034 4.149 4.170 0.021 0.000 0.242 311 I C 2.563 178.569 176.117 -0.186 0.000 1.088 311 I CA 1.043 62.214 61.300 -0.215 0.000 1.357 311 I CB -1.212 36.664 38.000 -0.207 0.000 1.051 311 I HN 0.327 nan 8.210 nan 0.000 0.409 312 L N 0.598 121.665 121.223 -0.261 0.000 1.988 312 L HA -0.190 4.163 4.340 0.021 0.000 0.207 312 L C 2.826 179.630 176.870 -0.110 0.000 1.071 312 L CA 1.761 56.454 54.840 -0.245 0.000 0.744 312 L CB -0.927 40.812 42.059 -0.533 0.000 0.893 312 L HN 0.282 nan 8.230 nan 0.000 0.433 313 S N 0.208 115.867 115.700 -0.069 0.000 2.383 313 S HA -0.158 4.324 4.470 0.021 0.000 0.229 313 S C 2.092 176.648 174.600 -0.073 0.000 1.030 313 S CA 1.135 59.318 58.200 -0.028 0.000 1.002 313 S CB -1.330 61.861 63.200 -0.015 0.000 0.829 313 S HN 0.459 nan 8.310 nan 0.000 0.467 314 G N 1.558 110.298 108.800 -0.100 0.000 2.418 314 G HA2 0.056 4.029 3.960 0.021 0.000 0.217 314 G HA3 0.056 4.029 3.960 0.021 0.000 0.217 314 G C 1.678 176.505 174.900 -0.121 0.000 1.158 314 G CA 0.900 45.935 45.100 -0.109 0.000 0.771 314 G HN 0.806 nan 8.290 nan 0.000 0.545 315 A N 0.948 123.689 122.820 -0.133 0.000 1.898 315 A HA 0.015 4.348 4.320 0.021 0.000 0.216 315 A C 2.146 179.571 177.584 -0.266 0.000 1.181 315 A CA 1.858 53.781 52.037 -0.190 0.000 0.620 315 A CB -0.364 18.534 19.000 -0.171 0.000 0.819 315 A HN 0.446 nan 8.150 nan 0.000 0.442 316 E N -0.495 119.589 120.200 -0.192 0.000 2.204 316 E HA -0.124 4.239 4.350 0.021 0.000 0.195 316 E C 2.157 178.656 176.600 -0.170 0.000 0.990 316 E CA 1.132 57.420 56.400 -0.185 0.000 0.821 316 E CB -0.100 29.552 29.700 -0.079 0.000 0.750 316 E HN 0.609 nan 8.360 nan 0.000 0.477 317 S N 0.123 115.741 115.700 -0.136 0.000 2.371 317 S HA 0.008 4.491 4.470 0.021 0.000 0.221 317 S C 2.072 176.598 174.600 -0.124 0.000 1.036 317 S CA 0.802 58.936 58.200 -0.111 0.000 0.965 317 S CB -0.034 63.115 63.200 -0.084 0.000 0.845 317 S HN 0.290 nan 8.310 nan 0.000 0.475 318 A N 1.361 124.098 122.820 -0.138 0.000 1.930 318 A HA 0.124 4.457 4.320 0.021 0.000 0.217 318 A C 1.890 179.371 177.584 -0.171 0.000 1.175 318 A CA 1.315 53.276 52.037 -0.127 0.000 0.627 318 A CB -0.334 18.603 19.000 -0.105 0.000 0.815 318 A HN 0.565 nan 8.150 nan 0.000 0.443 319 M N -1.284 118.151 119.600 -0.275 0.000 2.356 319 M HA 0.231 4.724 4.480 0.021 0.000 0.262 319 M C 1.174 177.277 176.300 -0.328 0.000 1.097 319 M CA 0.196 55.272 55.300 -0.373 0.000 0.991 319 M CB -0.730 31.454 32.600 -0.693 0.000 1.450 319 M HN 0.682 nan 8.290 nan 0.000 0.495 320 G N 2.239 110.892 108.800 -0.246 0.000 2.323 320 G HA2 -0.230 3.743 3.960 0.021 0.000 0.292 320 G HA3 -0.230 3.743 3.960 0.021 0.000 0.292 320 G C -0.153 174.579 174.900 -0.280 0.000 1.040 320 G CA 0.179 45.158 45.100 -0.202 0.000 0.942 320 G HN 0.452 nan 8.290 nan 0.000 0.506 321 L N -0.225 120.784 121.223 -0.357 0.000 2.332 321 L HA 0.804 5.157 4.340 0.021 0.000 0.269 321 L C 1.143 177.893 176.870 -0.201 0.000 1.016 321 L CA -0.598 53.950 54.840 -0.487 0.000 0.809 321 L CB 1.734 43.418 42.059 -0.625 0.000 1.280 321 L HN 0.346 nan 8.230 nan 0.000 0.447 322 T N -3.177 111.374 114.554 -0.005 0.000 2.927 322 T HA 0.356 4.719 4.350 0.021 0.000 0.281 322 T C -2.099 172.709 174.700 0.179 0.000 0.998 322 T CA -1.922 60.259 62.100 0.135 0.000 1.019 322 T CB 1.720 70.720 68.868 0.219 0.000 1.061 322 T HN 0.285 nan 8.240 nan 0.000 0.518 323 P HA -0.091 nan 4.420 nan 0.000 0.216 323 P C 1.102 178.508 177.300 0.175 0.000 1.150 323 P CA 1.110 64.277 63.100 0.112 0.000 0.843 323 P CB 0.010 31.563 31.700 -0.246 0.000 0.787 324 E N -2.146 118.118 120.200 0.108 0.000 2.265 324 E HA -0.182 4.181 4.350 0.021 0.000 0.196 324 E C 1.709 178.380 176.600 0.119 0.000 0.996 324 E CA 0.910 57.362 56.400 0.087 0.000 0.832 324 E CB -0.809 28.899 29.700 0.013 0.000 0.756 324 E HN 0.475 nan 8.360 nan 0.000 0.491 325 H N -0.810 118.350 119.070 0.150 0.000 2.423 325 H HA 0.056 4.624 4.556 0.021 0.000 0.297 325 H C 0.606 176.102 175.328 0.279 0.000 1.075 325 H CA 1.109 57.285 56.048 0.214 0.000 1.342 325 H CB 0.123 29.980 29.762 0.159 0.000 1.395 325 H HN 0.104 nan 8.280 nan 0.000 0.530 326 M N 1.020 120.842 119.600 0.371 0.000 3.043 326 M HA 0.188 4.681 4.480 0.021 0.000 0.309 326 M C 1.142 177.652 176.300 0.349 0.000 1.202 326 M CA -0.197 55.300 55.300 0.330 0.000 0.869 326 M CB 0.687 33.427 32.600 0.234 0.000 1.327 326 M HN 0.233 nan 8.290 nan 0.000 0.524 327 R N 0.372 121.048 120.500 0.295 0.000 2.105 327 R HA -0.068 4.285 4.340 0.021 0.000 0.239 327 R C 1.801 178.253 176.300 0.253 0.000 1.135 327 R CA 1.836 58.093 56.100 0.261 0.000 0.967 327 R CB -0.636 29.760 30.300 0.161 0.000 0.861 327 R HN 0.417 nan 8.270 nan 0.000 0.442 328 A N 1.105 124.056 122.820 0.219 0.000 1.970 328 A HA 0.007 4.339 4.320 0.021 0.000 0.216 328 A C 2.183 179.884 177.584 0.195 0.000 1.170 328 A CA 1.194 53.349 52.037 0.197 0.000 0.645 328 A CB -0.227 18.882 19.000 0.182 0.000 0.816 328 A HN 0.402 nan 8.150 nan 0.000 0.447 329 S N -1.057 114.747 115.700 0.172 0.000 2.356 329 S HA -0.159 4.324 4.470 0.021 0.000 0.223 329 S C 1.769 176.413 174.600 0.072 0.000 1.032 329 S CA 1.466 59.718 58.200 0.087 0.000 1.005 329 S CB -0.630 62.569 63.200 -0.001 0.000 0.867 329 S HN 0.673 nan 8.310 nan 0.000 0.449 330 Y N 1.598 121.977 120.300 0.131 0.000 2.256 330 Y HA -0.198 4.363 4.550 0.019 0.000 0.288 330 Y C 2.433 178.434 175.900 0.167 0.000 1.155 330 Y CA 1.477 59.666 58.100 0.149 0.000 1.203 330 Y CB -0.271 38.253 38.460 0.107 0.000 0.980 330 Y HN 0.332 nan 8.280 nan 0.000 0.530 331 D N -0.664 119.914 120.400 0.298 0.000 2.123 331 D HA -0.127 4.525 4.640 0.021 0.000 0.200 331 D C 2.127 178.559 176.300 0.220 0.000 0.976 331 D CA 0.923 55.056 54.000 0.220 0.000 0.831 331 D CB 0.140 41.053 40.800 0.189 0.000 0.974 331 D HN -0.087 nan 8.370 nan 0.000 0.469 332 R N -0.611 120.036 120.500 0.246 0.000 2.080 332 R HA -0.136 4.217 4.340 0.021 0.000 0.236 332 R C 2.119 178.571 176.300 0.255 0.000 1.137 332 R CA 1.472 57.742 56.100 0.284 0.000 0.943 332 R CB -1.349 29.108 30.300 0.262 0.000 0.846 332 R HN 0.347 nan 8.270 nan 0.000 0.431 333 Y N 0.744 121.093 120.300 0.082 0.000 2.081 333 Y HA -0.198 4.364 4.550 0.019 0.000 0.280 333 Y C 1.957 177.875 175.900 0.029 0.000 1.163 333 Y CA 1.785 59.900 58.100 0.024 0.000 1.135 333 Y CB -0.333 38.093 38.460 -0.057 0.000 0.970 333 Y HN 0.003 nan 8.280 nan 0.000 0.498 334 I N -0.057 120.549 120.570 0.060 0.000 2.315 334 I HA -0.296 3.886 4.170 0.021 0.000 0.248 334 I C 1.438 177.471 176.117 -0.140 0.000 1.117 334 I CA 1.890 63.158 61.300 -0.053 0.000 1.404 334 I CB -0.383 37.673 38.000 0.094 0.000 1.071 334 I HN 0.289 nan 8.210 nan 0.000 0.419 335 N N -1.395 117.224 118.700 -0.136 0.000 2.356 335 N HA 0.015 4.768 4.740 0.021 0.000 0.178 335 N C 1.258 176.360 175.510 -0.679 0.000 1.075 335 N CA 0.495 53.333 53.050 -0.354 0.000 0.889 335 N CB 0.367 38.655 38.487 -0.332 0.000 0.999 335 N HN 0.322 nan 8.380 nan 0.000 0.464 336 H N -1.356 117.613 119.070 -0.168 0.000 3.771 336 H HA 0.270 4.840 4.556 0.022 0.000 0.260 336 H C 1.133 176.415 175.328 -0.078 0.000 1.158 336 H CA 0.536 56.465 56.048 -0.199 0.000 1.170 336 H CB 1.001 30.536 29.762 -0.378 0.000 1.539 336 H HN 0.169 nan 8.280 nan 0.000 0.634 337 G N 2.178 110.953 108.800 -0.042 0.000 2.698 337 G HA2 -0.298 3.675 3.960 0.021 0.000 0.233 337 G HA3 -0.298 3.675 3.960 0.021 0.000 0.233 337 G C -0.191 174.770 174.900 0.102 0.000 1.352 337 G CA -0.178 44.865 45.100 -0.095 0.000 0.879 337 G HN 0.371 nan 8.290 nan 0.000 0.567 338 N N 0.526 119.289 118.700 0.104 0.000 2.469 338 N HA 0.453 5.206 4.740 0.021 0.000 0.239 338 N C 0.677 176.397 175.510 0.351 0.000 1.053 338 N CA 0.380 53.553 53.050 0.206 0.000 0.937 338 N CB 0.601 39.114 38.487 0.043 0.000 1.163 338 N HN 0.483 nan 8.380 nan 0.000 0.509 339 S N 1.550 117.451 115.700 0.334 0.000 2.602 339 S HA 0.078 4.561 4.470 0.021 0.000 0.246 339 S C 0.722 175.450 174.600 0.214 0.000 1.009 339 S CA -0.162 58.199 58.200 0.268 0.000 1.052 339 S CB -0.581 62.744 63.200 0.207 0.000 0.778 339 S HN 0.751 nan 8.310 nan 0.000 0.455 340 S N 2.378 118.285 115.700 0.344 0.000 3.938 340 S HA -0.330 4.153 4.470 0.021 0.000 0.624 340 S C 1.904 176.466 174.600 -0.063 0.000 2.186 340 S CA 1.882 60.185 58.200 0.172 0.000 4.144 340 S CB -1.690 61.502 63.200 -0.014 0.000 0.230 340 S HN 0.940 nan 8.310 nan 0.000 0.755 341 S N 1.532 117.130 115.700 -0.170 0.000 2.419 341 S HA 0.020 4.503 4.470 0.021 0.000 0.235 341 S C 1.949 176.370 174.600 -0.299 0.000 1.019 341 S CA 1.913 59.950 58.200 -0.271 0.000 0.982 341 S CB -1.021 62.046 63.200 -0.222 0.000 0.789 341 S HN 1.623 nan 8.310 nan 0.000 0.490 342 A N 1.417 124.129 122.820 -0.180 0.000 2.119 342 A HA 0.089 4.422 4.320 0.021 0.000 0.217 342 A C 2.272 179.777 177.584 -0.131 0.000 1.153 342 A CA 1.432 53.362 52.037 -0.178 0.000 0.692 342 A CB -1.211 17.714 19.000 -0.124 0.000 0.799 342 A HN 0.588 nan 8.150 nan 0.000 0.458 343 T N 0.239 114.781 114.554 -0.019 0.000 2.746 343 T HA -0.144 4.219 4.350 0.021 0.000 0.267 343 T C 1.798 176.550 174.700 0.087 0.000 1.039 343 T CA 1.460 63.633 62.100 0.122 0.000 1.142 343 T CB -0.335 68.730 68.868 0.329 0.000 0.866 343 T HN 0.386 nan 8.240 nan 0.000 0.444 344 I N 0.902 121.458 120.570 -0.023 0.000 2.163 344 I HA -0.152 4.030 4.170 0.021 0.000 0.243 344 I C 1.657 177.840 176.117 0.110 0.000 1.085 344 I CA 1.424 62.721 61.300 -0.005 0.000 1.347 344 I CB -0.407 37.525 38.000 -0.115 0.000 1.044 344 I HN 0.081 nan 8.210 nan 0.000 0.408 345 F N -0.228 119.721 119.950 -0.002 0.000 2.234 345 F HA -0.083 4.457 4.527 0.022 0.000 0.299 345 F C 2.928 178.735 175.800 0.012 0.000 1.087 345 F CA 1.238 59.231 58.000 -0.011 0.000 1.340 345 F CB -1.772 37.212 39.000 -0.027 0.000 1.031 345 F HN 0.115 nan 8.300 nan 0.000 0.500 346 S N -0.044 115.766 115.700 0.184 0.000 2.382 346 S HA -0.115 4.368 4.470 0.021 0.000 0.228 346 S C 2.310 177.009 174.600 0.166 0.000 1.027 346 S CA 1.136 59.414 58.200 0.130 0.000 0.991 346 S CB -0.439 62.806 63.200 0.075 0.000 0.823 346 S HN 0.091 nan 8.310 nan 0.000 0.469 347 V N 1.958 121.973 119.914 0.168 0.000 2.343 347 V HA -0.117 4.016 4.120 0.021 0.000 0.247 347 V C 2.310 178.498 176.094 0.158 0.000 1.051 347 V CA 1.690 64.089 62.300 0.165 0.000 1.036 347 V CB -0.592 31.323 31.823 0.154 0.000 0.654 347 V HN 0.480 nan 8.190 nan 0.000 0.451 348 L N 0.183 121.493 121.223 0.145 0.000 2.141 348 L HA -0.157 4.196 4.340 0.021 0.000 0.209 348 L C 2.394 179.400 176.870 0.226 0.000 1.094 348 L CA 1.617 56.526 54.840 0.115 0.000 0.763 348 L CB -0.667 41.383 42.059 -0.015 0.000 0.908 348 L HN 0.426 nan 8.230 nan 0.000 0.437 349 N N 0.695 119.509 118.700 0.190 0.000 2.080 349 N HA -0.226 4.526 4.740 0.021 0.000 0.189 349 N C 1.956 177.559 175.510 0.155 0.000 1.036 349 N CA 1.354 54.504 53.050 0.166 0.000 0.846 349 N CB -0.020 38.541 38.487 0.124 0.000 1.015 349 N HN 0.003 nan 8.380 nan 0.000 0.423 350 R N 0.102 120.696 120.500 0.156 0.000 2.092 350 R HA 0.018 4.371 4.340 0.021 0.000 0.231 350 R C 2.062 178.451 176.300 0.148 0.000 1.119 350 R CA 0.799 56.988 56.100 0.148 0.000 0.970 350 R CB -0.925 29.472 30.300 0.162 0.000 0.864 350 R HN 0.359 nan 8.270 nan 0.000 0.440 351 L N 1.159 122.486 121.223 0.174 0.000 2.081 351 L HA -0.184 4.169 4.340 0.021 0.000 0.212 351 L C 1.688 178.655 176.870 0.160 0.000 1.080 351 L CA 2.072 57.021 54.840 0.181 0.000 0.754 351 L CB -0.323 41.865 42.059 0.216 0.000 0.893 351 L HN 0.270 nan 8.230 nan 0.000 0.433 352 R N -0.397 120.196 120.500 0.156 0.000 2.310 352 R HA 0.189 4.542 4.340 0.021 0.000 0.202 352 R C 0.338 176.665 176.300 0.046 0.000 0.933 352 R CA 0.069 56.214 56.100 0.076 0.000 1.054 352 R CB -1.080 29.218 30.300 -0.003 0.000 0.985 352 R HN 0.393 nan 8.270 nan 0.000 0.489 353 E N 1.185 121.426 120.200 0.067 0.000 2.349 353 E HA 0.124 4.487 4.350 0.021 0.000 0.265 353 E C 0.211 176.840 176.600 0.049 0.000 1.064 353 E CA -0.661 55.772 56.400 0.054 0.000 0.886 353 E CB 0.812 30.553 29.700 0.067 0.000 1.036 353 E HN -0.053 nan 8.360 nan 0.000 0.413 354 K N 1.758 122.180 120.400 0.037 0.000 2.032 354 K HA -0.166 4.167 4.320 0.021 0.000 0.209 354 K C 1.391 178.013 176.600 0.037 0.000 1.048 354 K CA 1.686 57.992 56.287 0.031 0.000 0.927 354 K CB -0.316 32.197 32.500 0.023 0.000 0.712 354 K HN 0.588 nan 8.250 nan 0.000 0.441 355 D N 0.179 120.604 120.400 0.042 0.000 2.264 355 D HA -0.144 4.509 4.640 0.021 0.000 0.208 355 D C 1.707 178.037 176.300 0.051 0.000 0.966 355 D CA 0.809 54.835 54.000 0.042 0.000 0.864 355 D CB -0.167 40.658 40.800 0.042 0.000 0.933 355 D HN 0.008 nan 8.370 nan 0.000 0.499 356 M N 0.845 120.483 119.600 0.063 0.000 2.132 356 M HA -0.069 4.424 4.480 0.021 0.000 0.263 356 M C 1.146 177.485 176.300 0.064 0.000 1.065 356 M CA 1.103 56.448 55.300 0.076 0.000 1.122 356 M CB -0.636 32.022 32.600 0.098 0.000 1.365 356 M HN -0.025 nan 8.290 nan 0.000 0.411 357 D N 0.793 121.225 120.400 0.055 0.000 2.123 357 D HA -0.099 4.554 4.640 0.021 0.000 0.196 357 D C 1.816 178.137 176.300 0.035 0.000 0.992 357 D CA 1.618 55.645 54.000 0.046 0.000 0.833 357 D CB -0.191 40.631 40.800 0.036 0.000 0.954 357 D HN 0.344 nan 8.370 nan 0.000 0.455 358 A N -0.220 122.619 122.820 0.031 0.000 2.209 358 A HA 0.018 4.350 4.320 0.021 0.000 0.212 358 A C 1.955 179.551 177.584 0.021 0.000 1.158 358 A CA 0.447 52.498 52.037 0.023 0.000 0.742 358 A CB -0.335 18.677 19.000 0.021 0.000 0.790 358 A HN 0.226 nan 8.150 nan 0.000 0.472 359 L N -0.620 120.619 121.223 0.028 0.000 2.728 359 L HA 0.277 4.630 4.340 0.021 0.000 0.238 359 L C 1.173 178.052 176.870 0.016 0.000 1.143 359 L CA -0.307 54.547 54.840 0.023 0.000 0.937 359 L CB 0.089 42.168 42.059 0.034 0.000 1.225 359 L HN 0.352 nan 8.230 nan 0.000 0.507 360 A N 0.938 123.767 122.820 0.016 0.000 2.498 360 A HA 0.279 4.612 4.320 0.021 0.000 0.239 360 A C -2.211 175.350 177.584 -0.040 0.000 1.068 360 A CA -0.814 51.222 52.037 -0.002 0.000 0.766 360 A CB -0.499 18.511 19.000 0.015 0.000 1.003 360 A HN -0.032 nan 8.150 nan 0.000 0.497 361 P HA 0.239 nan 4.420 nan 0.000 0.262 361 P C 0.879 178.143 177.300 -0.060 0.000 1.199 361 P CA 1.728 64.751 63.100 -0.128 0.000 0.763 361 P CB 0.448 31.927 31.700 -0.368 0.000 0.790 362 G N 3.504 112.289 108.800 -0.024 0.000 2.225 362 G HA2 -0.145 3.828 3.960 0.021 0.000 0.267 362 G HA3 -0.145 3.828 3.960 0.021 0.000 0.267 362 G C 0.894 175.791 174.900 -0.006 0.000 1.024 362 G CA 0.541 45.636 45.100 -0.009 0.000 0.784 362 G HN 1.014 nan 8.290 nan 0.000 0.507 363 G N -1.391 107.406 108.800 -0.005 0.000 2.168 363 G HA2 -0.280 3.692 3.960 0.021 0.000 0.257 363 G HA3 -0.280 3.692 3.960 0.021 0.000 0.257 363 G C 0.341 175.246 174.900 0.008 0.000 0.997 363 G CA 0.946 46.048 45.100 0.003 0.000 0.708 363 G HN 0.978 nan 8.290 nan 0.000 0.520 364 K N 0.917 121.319 120.400 0.003 0.000 2.300 364 K HA 0.460 4.793 4.320 0.021 0.000 0.264 364 K C 0.265 176.889 176.600 0.040 0.000 1.083 364 K CA -0.544 55.753 56.287 0.017 0.000 0.958 364 K CB 1.807 34.308 32.500 0.002 0.000 1.318 364 K HN 0.108 nan 8.250 nan 0.000 0.448 365 V N 4.616 124.564 119.914 0.056 0.000 2.470 365 V HA 0.033 4.166 4.120 0.021 0.000 0.276 365 V C 0.525 176.695 176.094 0.126 0.000 1.040 365 V CA -0.278 62.070 62.300 0.079 0.000 1.008 365 V CB 0.343 32.201 31.823 0.059 0.000 0.990 365 V HN 0.367 nan 8.190 nan 0.000 0.477 366 K N 3.987 124.491 120.400 0.174 0.000 2.249 366 K HA 0.204 4.537 4.320 0.021 0.000 0.280 366 K C 1.014 177.718 176.600 0.173 0.000 1.033 366 K CA -0.198 56.261 56.287 0.287 0.000 0.946 366 K CB 1.173 33.903 32.500 0.384 0.000 1.005 366 K HN 0.726 nan 8.250 nan 0.000 0.469 367 E N 1.617 121.879 120.200 0.102 0.000 2.274 367 E HA -0.095 4.268 4.350 0.021 0.000 0.194 367 E C -0.547 175.720 176.600 -0.556 0.000 0.996 367 E CA 1.011 57.245 56.400 -0.276 0.000 0.840 367 E CB 0.277 29.754 29.700 -0.371 0.000 0.772 367 E HN 0.455 nan 8.360 nan 0.000 0.491 368 Y N -0.886 119.274 120.300 -0.233 0.000 2.446 368 Y HA 0.478 5.041 4.550 0.021 0.000 0.345 368 Y C -0.715 175.341 175.900 0.261 0.000 0.984 368 Y CA -1.160 56.927 58.100 -0.020 0.000 1.058 368 Y CB 2.144 40.559 38.460 -0.075 0.000 1.220 368 Y HN -0.336 nan 8.280 nan 0.000 0.455 369 V N 3.648 123.736 119.914 0.291 0.000 2.588 369 V HA 0.453 4.586 4.120 0.021 0.000 0.304 369 V C -0.846 175.193 176.094 -0.092 0.000 1.042 369 V CA -0.991 61.385 62.300 0.126 0.000 0.877 369 V CB 1.904 33.770 31.823 0.072 0.000 0.996 369 V HN 0.516 nan 8.190 nan 0.000 0.425 370 V N 3.568 123.275 119.914 -0.345 0.000 2.370 370 V HA 0.697 4.830 4.120 0.021 0.000 0.279 370 V C 0.827 176.719 176.094 -0.337 0.000 1.029 370 V CA -0.204 61.757 62.300 -0.566 0.000 0.870 370 V CB 1.412 32.450 31.823 -1.309 0.000 0.984 370 V HN 0.973 nan 8.190 nan 0.000 0.451 371 G N 2.451 111.131 108.800 -0.199 0.000 2.389 371 G HA2 0.535 4.508 3.960 0.021 0.000 0.317 371 G HA3 0.535 4.508 3.960 0.021 0.000 0.317 371 G C -0.929 173.930 174.900 -0.069 0.000 1.137 371 G CA -0.367 44.681 45.100 -0.086 0.000 0.870 371 G HN 0.868 nan 8.290 nan 0.000 0.496 372 C N 1.040 120.337 119.300 -0.005 0.000 2.811 372 C HA 0.860 5.333 4.460 0.021 0.000 0.352 372 C C -0.228 174.712 174.990 -0.084 0.000 1.098 372 C CA 0.177 59.162 59.018 -0.055 0.000 1.295 372 C CB 0.290 28.073 27.740 0.072 0.000 1.758 372 C HN 1.287 nan 8.230 nan 0.000 0.488 373 A N 4.227 126.896 122.820 -0.252 0.000 2.515 373 A HA 0.931 5.264 4.320 0.021 0.000 0.298 373 A C -1.557 175.782 177.584 -0.409 0.000 1.059 373 A CA -0.360 51.566 52.037 -0.185 0.000 0.698 373 A CB 0.924 19.838 19.000 -0.144 0.000 1.289 373 A HN 0.734 nan 8.150 nan 0.000 0.404 374 F N 0.560 120.560 119.950 0.083 0.000 2.508 374 F HA 0.775 5.316 4.527 0.023 0.000 0.325 374 F C 0.895 176.714 175.800 0.032 0.000 1.090 374 F CA 0.063 58.097 58.000 0.057 0.000 0.945 374 F CB 2.787 41.830 39.000 0.071 0.000 1.156 374 F HN 0.883 nan 8.300 nan 0.000 0.463 375 G N 1.115 110.019 108.800 0.173 0.000 2.687 375 G HA2 0.616 4.588 3.960 0.021 0.000 0.291 375 G HA3 0.616 4.588 3.960 0.021 0.000 0.291 375 G C -3.310 171.633 174.900 0.071 0.000 1.420 375 G CA -1.983 43.169 45.100 0.087 0.000 0.796 375 G HN 0.219 nan 8.290 nan 0.000 0.485 376 P HA 0.233 nan 4.420 nan 0.000 0.264 376 P C 0.884 178.198 177.300 0.023 0.000 1.173 376 P CA 1.901 65.014 63.100 0.021 0.000 0.761 376 P CB 1.030 32.725 31.700 -0.008 0.000 0.794 377 G N 2.509 111.327 108.800 0.031 0.000 4.083 377 G HA2 -0.111 3.862 3.960 0.021 0.000 0.179 377 G HA3 -0.111 3.862 3.960 0.021 0.000 0.179 377 G C -0.292 174.634 174.900 0.045 0.000 2.061 377 G CA -0.474 44.649 45.100 0.037 0.000 1.122 377 G HN 0.458 nan 8.290 nan 0.000 0.350 378 I N 2.987 123.586 120.570 0.048 0.000 2.452 378 I HA 0.252 4.435 4.170 0.021 0.000 0.287 378 I C -0.510 175.658 176.117 0.086 0.000 1.079 378 I CA -0.471 60.870 61.300 0.068 0.000 1.387 378 I CB 0.863 38.909 38.000 0.076 0.000 1.404 378 I HN 0.127 nan 8.210 nan 0.000 0.522 379 N N 5.781 124.527 118.700 0.077 0.000 2.434 379 N HA 0.366 5.119 4.740 0.021 0.000 0.272 379 N C -0.855 174.693 175.510 0.063 0.000 1.040 379 N CA -0.238 52.844 53.050 0.053 0.000 0.956 379 N CB 1.707 40.203 38.487 0.015 0.000 1.108 379 N HN 0.189 nan 8.380 nan 0.000 0.481 380 V N 2.309 122.238 119.914 0.025 0.000 2.495 380 V HA 0.398 4.531 4.120 0.021 0.000 0.298 380 V C -0.237 175.782 176.094 -0.125 0.000 1.031 380 V CA -0.677 61.564 62.300 -0.098 0.000 0.871 380 V CB 1.744 33.547 31.823 -0.035 0.000 0.988 380 V HN 0.512 nan 8.190 nan 0.000 0.432 381 E N 4.789 124.863 120.200 -0.210 0.000 2.222 381 E HA 0.644 5.007 4.350 0.021 0.000 0.267 381 E C -1.014 175.500 176.600 -0.144 0.000 0.884 381 E CA -0.503 55.818 56.400 -0.131 0.000 0.764 381 E CB 2.841 32.472 29.700 -0.116 0.000 1.169 381 E HN 0.539 nan 8.360 nan 0.000 0.413 382 M N 1.390 120.951 119.600 -0.065 0.000 2.550 382 M HA 0.499 4.992 4.480 0.021 0.000 0.292 382 M C -1.009 175.288 176.300 -0.006 0.000 1.221 382 M CA -0.783 54.481 55.300 -0.060 0.000 0.873 382 M CB 2.340 34.905 32.600 -0.058 0.000 1.727 382 M HN 0.803 nan 8.290 nan 0.000 0.459 383 C N 1.199 120.475 119.300 -0.040 0.000 3.086 383 C HA 0.859 5.332 4.460 0.021 0.000 0.311 383 C C -0.965 173.977 174.990 -0.080 0.000 1.260 383 C CA -1.024 58.001 59.018 0.012 0.000 1.426 383 C CB 1.508 29.286 27.740 0.065 0.000 1.826 383 C HN 0.967 nan 8.230 nan 0.000 0.474 384 M N 2.903 122.473 119.600 -0.050 0.000 2.268 384 M HA 0.788 5.281 4.480 0.021 0.000 0.344 384 M C -1.261 175.051 176.300 0.021 0.000 1.106 384 M CA -0.850 54.410 55.300 -0.067 0.000 1.010 384 M CB 0.795 33.343 32.600 -0.088 0.000 1.649 384 M HN 0.799 nan 8.290 nan 0.000 0.443 385 L N 3.749 124.990 121.223 0.031 0.000 2.354 385 L HA 0.617 4.970 4.340 0.021 0.000 0.269 385 L C -0.531 176.396 176.870 0.095 0.000 1.005 385 L CA -0.884 53.988 54.840 0.054 0.000 0.819 385 L CB 2.070 44.088 42.059 -0.069 0.000 1.311 385 L HN 0.611 nan 8.230 nan 0.000 0.423 386 K N 2.730 123.155 120.400 0.041 0.000 2.265 386 K HA 0.374 4.707 4.320 0.021 0.000 0.267 386 K C -0.660 175.893 176.600 -0.078 0.000 0.994 386 K CA -0.716 55.445 56.287 -0.211 0.000 0.860 386 K CB 1.336 33.672 32.500 -0.273 0.000 1.099 386 K HN 0.521 nan 8.250 nan 0.000 0.448 387 R N 4.701 125.127 120.500 -0.123 0.000 2.234 387 R HA 0.173 4.526 4.340 0.021 0.000 0.324 387 R C -0.067 176.106 176.300 -0.211 0.000 1.054 387 R CA -0.554 55.473 56.100 -0.122 0.000 0.912 387 R CB 0.592 30.876 30.300 -0.026 0.000 1.030 387 R HN 0.580 nan 8.270 nan 0.000 0.455 388 R N 0.000 120.366 120.500 -0.223 0.000 2.786 388 R HA 0.000 4.353 4.340 0.021 0.000 0.208 388 R CA 0.000 55.998 56.100 -0.170 0.000 0.921 388 R CB 0.000 30.210 30.300 -0.149 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535