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 1xs2_1_A DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.487 176.300 0.312 0.000 0.893 6 R CA 0.000 56.217 56.100 0.195 0.000 0.921 6 R CB 0.000 30.374 30.300 0.124 0.000 0.687 7 M N 1.327 121.050 119.600 0.204 0.000 2.202 7 M HA 0.409 4.890 4.480 0.001 0.000 0.316 7 M C -0.245 176.213 176.300 0.263 0.000 1.138 7 M CA -0.027 55.373 55.300 0.168 0.000 1.151 7 M CB 0.141 32.727 32.600 -0.024 0.000 1.422 7 M HN 0.514 nan 8.290 nan 0.000 0.471 8 F N -0.763 119.265 119.950 0.129 0.000 2.520 8 F HA 0.692 5.220 4.527 0.002 0.000 0.322 8 F C -0.720 175.165 175.800 0.141 0.000 1.103 8 F CA -1.116 56.974 58.000 0.151 0.000 0.926 8 F CB 1.033 40.157 39.000 0.206 0.000 1.154 8 F HN 0.410 nan 8.300 nan 0.000 0.453 9 K N 4.303 124.826 120.400 0.206 0.000 2.159 9 K HA 0.579 4.899 4.320 0.001 0.000 0.266 9 K C -1.123 175.629 176.600 0.252 0.000 0.975 9 K CA -0.753 55.608 56.287 0.123 0.000 0.865 9 K CB 1.338 33.877 32.500 0.066 0.000 1.087 9 K HN 0.847 nan 8.250 nan 0.000 0.446 10 I N 4.432 125.161 120.570 0.266 0.000 2.306 10 I HA 0.093 4.264 4.170 0.001 0.000 0.288 10 I C 0.776 177.008 176.117 0.190 0.000 1.036 10 I CA -0.072 61.390 61.300 0.271 0.000 1.221 10 I CB 1.307 39.488 38.000 0.302 0.000 1.385 10 I HN 0.721 nan 8.210 nan 0.000 0.472 11 E N 4.567 124.871 120.200 0.174 0.000 2.216 11 E HA 0.267 4.618 4.350 0.001 0.000 0.192 11 E C 0.446 177.125 176.600 0.132 0.000 0.973 11 E CA 0.164 56.642 56.400 0.130 0.000 0.851 11 E CB 0.488 30.252 29.700 0.108 0.000 0.804 11 E HN 0.706 nan 8.360 nan 0.000 0.477 12 A N 0.530 123.458 122.820 0.180 0.000 2.594 12 A HA 0.776 5.097 4.320 0.001 0.000 0.295 12 A C -1.594 176.141 177.584 0.251 0.000 1.071 12 A CA -0.380 51.768 52.037 0.185 0.000 0.685 12 A CB 1.742 20.807 19.000 0.109 0.000 1.285 12 A HN 0.090 nan 8.150 nan 0.000 0.405 13 A N 0.661 123.617 122.820 0.227 0.000 2.435 13 A HA 0.824 5.145 4.320 0.001 0.000 0.304 13 A C -0.861 176.858 177.584 0.225 0.000 1.064 13 A CA -0.439 51.721 52.037 0.205 0.000 0.727 13 A CB 1.274 20.350 19.000 0.126 0.000 1.284 13 A HN 0.744 nan 8.150 nan 0.000 0.415 14 E N 1.001 121.314 120.200 0.188 0.000 2.234 14 E HA 0.504 4.855 4.350 0.001 0.000 0.266 14 E C -1.399 175.267 176.600 0.111 0.000 0.877 14 E CA -0.391 56.108 56.400 0.165 0.000 0.758 14 E CB 2.326 32.126 29.700 0.166 0.000 1.170 14 E HN 0.577 nan 8.360 nan 0.000 0.415 15 I N 2.966 123.603 120.570 0.111 0.000 2.330 15 I HA 0.290 4.460 4.170 0.001 0.000 0.289 15 I C -0.718 175.428 176.117 0.048 0.000 1.001 15 I CA -0.860 60.480 61.300 0.067 0.000 1.193 15 I CB 1.345 39.384 38.000 0.064 0.000 1.345 15 I HN 0.146 nan 8.210 nan 0.000 0.461 16 V N 7.348 127.277 119.914 0.026 0.000 2.444 16 V HA 0.376 4.497 4.120 0.001 0.000 0.294 16 V C -0.127 175.962 176.094 -0.008 0.000 1.022 16 V CA -0.698 61.606 62.300 0.007 0.000 0.850 16 V CB 2.108 33.931 31.823 -0.000 0.000 0.992 16 V HN 0.377 nan 8.190 nan 0.000 0.426 17 V N 4.266 124.172 119.914 -0.013 0.000 2.370 17 V HA 0.831 4.952 4.120 0.001 0.000 0.283 17 V C 0.419 176.493 176.094 -0.032 0.000 1.023 17 V CA -0.338 61.952 62.300 -0.018 0.000 0.857 17 V CB 1.416 33.234 31.823 -0.010 0.000 0.985 17 V HN 0.988 nan 8.190 nan 0.000 0.443 18 A N 5.109 127.903 122.820 -0.044 0.000 2.330 18 A HA 0.852 5.173 4.320 0.001 0.000 0.329 18 A C -0.188 177.379 177.584 -0.029 0.000 1.135 18 A CA -0.884 51.114 52.037 -0.064 0.000 0.817 18 A CB 1.317 20.247 19.000 -0.116 0.000 1.269 18 A HN 0.746 nan 8.150 nan 0.000 0.469 19 R N 1.190 121.688 120.500 -0.005 0.000 2.310 19 R HA 0.420 4.761 4.340 0.001 0.000 0.316 19 R C -1.704 174.676 176.300 0.132 0.000 1.004 19 R CA -0.548 55.610 56.100 0.096 0.000 0.900 19 R CB 0.773 31.139 30.300 0.111 0.000 1.152 19 R HN 0.584 nan 8.270 nan 0.000 0.513 20 L N 6.328 127.594 121.223 0.071 0.000 2.275 20 L HA 0.493 4.834 4.340 0.001 0.000 0.288 20 L C -2.363 174.567 176.870 0.100 0.000 1.046 20 L CA -2.344 52.485 54.840 -0.018 0.000 0.805 20 L CB 1.343 43.192 42.059 -0.351 0.000 1.193 20 L HN 0.419 nan 8.230 nan 0.000 0.426 21 P HA 0.114 nan 4.420 nan 0.000 0.271 21 P C -0.485 176.921 177.300 0.177 0.000 1.220 21 P CA -0.066 62.899 63.100 -0.225 0.000 0.768 21 P CB 0.435 32.042 31.700 -0.156 0.000 0.848 22 L N 2.851 124.120 121.223 0.077 0.000 2.453 22 L HA 0.220 4.561 4.340 0.001 0.000 0.261 22 L C 1.354 178.244 176.870 0.033 0.000 1.179 22 L CA -0.177 54.704 54.840 0.068 0.000 0.813 22 L CB 0.387 42.436 42.059 -0.016 0.000 1.110 22 L HN 0.411 nan 8.230 nan 0.000 0.466 35 H N 0.696 119.823 119.070 0.095 0.000 2.865 35 H HA 0.647 5.204 4.556 0.001 0.000 0.372 35 H C -1.106 174.313 175.328 0.151 0.000 1.173 35 H CA -0.798 55.330 56.048 0.133 0.000 1.147 35 H CB 2.292 32.110 29.762 0.093 0.000 1.805 35 H HN 0.341 nan 8.280 nan 0.000 0.553 36 K N 1.853 122.444 120.400 0.317 0.000 2.378 36 K HA 0.307 4.628 4.320 0.001 0.000 0.252 36 K C -1.093 175.620 176.600 0.188 0.000 0.931 36 K CA -0.733 55.713 56.287 0.265 0.000 0.794 36 K CB 2.159 34.891 32.500 0.387 0.000 1.181 36 K HN 0.243 nan 8.250 nan 0.000 0.425 37 V N 4.390 124.378 119.914 0.123 0.000 2.427 37 V HA 0.132 4.253 4.120 0.001 0.000 0.268 37 V C -0.274 175.847 176.094 0.046 0.000 1.046 37 V CA -0.491 61.849 62.300 0.067 0.000 0.970 37 V CB 1.103 32.953 31.823 0.046 0.000 1.001 37 V HN 0.413 nan 8.190 nan 0.000 0.476 38 V N 8.534 128.453 119.914 0.008 0.000 2.304 38 V HA 0.348 4.469 4.120 0.001 0.000 0.278 38 V C -2.269 173.810 176.094 -0.024 0.000 1.018 38 V CA -1.751 60.539 62.300 -0.016 0.000 0.814 38 V CB 1.563 33.340 31.823 -0.077 0.000 1.021 38 V HN 0.728 nan 8.190 nan 0.000 0.440 39 P HA 0.454 nan 4.420 nan 0.000 0.287 39 P C -0.854 176.437 177.300 -0.014 0.000 1.281 39 P CA -0.210 62.883 63.100 -0.011 0.000 0.781 39 P CB 1.407 33.104 31.700 -0.006 0.000 0.903 40 L N 3.471 124.687 121.223 -0.011 0.000 2.342 40 L HA 0.557 4.898 4.340 0.001 0.000 0.271 40 L C -0.145 176.728 176.870 0.004 0.000 1.008 40 L CA -1.230 53.605 54.840 -0.007 0.000 0.818 40 L CB 2.032 44.085 42.059 -0.009 0.000 1.296 40 L HN 0.235 nan 8.230 nan 0.000 0.427 41 L N 3.795 125.020 121.223 0.004 0.000 2.341 41 L HA 0.607 4.948 4.340 0.001 0.000 0.278 41 L C -0.897 175.976 176.870 0.004 0.000 1.005 41 L CA -0.018 54.829 54.840 0.012 0.000 0.818 41 L CB 1.551 43.617 42.059 0.010 0.000 1.259 41 L HN 0.342 nan 8.230 nan 0.000 0.418 42 I N 6.370 126.942 120.570 0.003 0.000 2.410 42 I HA 0.353 4.524 4.170 0.001 0.000 0.286 42 I C -0.865 175.199 176.117 -0.088 0.000 1.009 42 I CA -0.548 60.714 61.300 -0.063 0.000 1.111 42 I CB 1.487 39.451 38.000 -0.060 0.000 1.262 42 I HN 0.432 nan 8.210 nan 0.000 0.443 43 L N 5.870 127.020 121.223 -0.122 0.000 2.295 43 L HA 0.487 4.828 4.340 0.001 0.000 0.285 43 L C -0.278 176.493 176.870 -0.164 0.000 1.035 43 L CA -0.601 54.204 54.840 -0.057 0.000 0.806 43 L CB 1.020 43.084 42.059 0.008 0.000 1.214 43 L HN 0.512 nan 8.230 nan 0.000 0.426 44 H N 2.069 121.189 119.070 0.082 0.000 2.466 44 H HA 0.724 5.280 4.556 0.001 0.000 0.338 44 H C -0.109 175.281 175.328 0.104 0.000 1.091 44 H CA -0.432 55.663 56.048 0.078 0.000 1.207 44 H CB 2.276 32.079 29.762 0.068 0.000 1.466 44 H HN 0.780 nan 8.280 nan 0.000 0.493 45 G N 1.152 110.080 108.800 0.215 0.000 2.556 45 G HA2 0.171 4.132 3.960 0.001 0.000 0.294 45 G HA3 0.171 4.132 3.960 0.001 0.000 0.294 45 G C -0.811 174.186 174.900 0.161 0.000 1.516 45 G CA -0.849 44.371 45.100 0.200 0.000 0.824 45 G HN 0.453 nan 8.290 nan 0.000 0.535 46 E N -0.784 119.506 120.200 0.150 0.000 2.539 46 E HA -0.277 4.074 4.350 0.001 0.000 0.253 46 E C 1.512 178.166 176.600 0.090 0.000 1.145 46 E CA 1.994 58.466 56.400 0.120 0.000 0.738 46 E CB -1.577 28.208 29.700 0.141 0.000 1.308 46 E HN 2.556 nan 8.360 nan 0.000 0.409 47 G N -1.742 107.113 108.800 0.092 0.000 2.175 47 G HA2 -0.367 3.594 3.960 0.001 0.000 0.265 47 G HA3 -0.367 3.594 3.960 0.001 0.000 0.265 47 G C 0.541 175.486 174.900 0.076 0.000 0.979 47 G CA 1.333 46.480 45.100 0.077 0.000 0.663 47 G HN 1.020 nan 8.290 nan 0.000 0.533 48 V N -3.317 116.644 119.914 0.078 0.000 3.182 48 V HA 0.990 5.111 4.120 0.001 0.000 0.311 48 V C -0.308 175.814 176.094 0.046 0.000 1.221 48 V CA -0.135 62.194 62.300 0.048 0.000 1.060 48 V CB 1.817 33.644 31.823 0.006 0.000 1.164 48 V HN 1.122 nan 8.190 nan 0.000 0.466 49 Q N 0.276 120.062 119.800 -0.023 0.000 2.416 49 Q HA 0.778 5.118 4.340 0.001 0.000 0.281 49 Q C -0.750 175.187 176.000 -0.105 0.000 1.067 49 Q CA -0.612 55.112 55.803 -0.131 0.000 0.809 49 Q CB 2.219 30.796 28.738 -0.268 0.000 1.418 49 Q HN 1.321 nan 8.270 nan 0.000 0.411 50 G N 0.666 109.397 108.800 -0.115 0.000 2.513 50 G HA2 0.607 4.568 3.960 0.001 0.000 0.317 50 G HA3 0.607 4.568 3.960 0.001 0.000 0.317 50 G C -1.248 173.637 174.900 -0.025 0.000 1.277 50 G CA -0.651 44.423 45.100 -0.043 0.000 0.955 50 G HN 0.414 nan 8.290 nan 0.000 0.484 51 V N 0.495 120.437 119.914 0.048 0.000 2.709 51 V HA 0.894 5.015 4.120 0.001 0.000 0.308 51 V C 0.164 176.359 176.094 0.168 0.000 1.062 51 V CA -0.553 61.786 62.300 0.066 0.000 0.901 51 V CB 1.273 33.121 31.823 0.041 0.000 1.003 51 V HN 1.285 nan 8.190 nan 0.000 0.425 52 A N 3.019 125.877 122.820 0.064 0.000 2.569 52 A HA 0.910 5.231 4.320 0.001 0.000 0.290 52 A C -1.094 176.466 177.584 -0.040 0.000 1.136 52 A CA -0.636 51.384 52.037 -0.029 0.000 0.710 52 A CB 2.066 20.975 19.000 -0.151 0.000 1.303 52 A HN 0.841 nan 8.150 nan 0.000 0.413 53 E N 0.475 120.626 120.200 -0.080 0.000 2.210 53 E HA 0.533 4.884 4.350 0.001 0.000 0.266 53 E C 0.066 176.633 176.600 -0.055 0.000 0.883 53 E CA -0.656 55.717 56.400 -0.044 0.000 0.761 53 E CB 1.639 31.327 29.700 -0.020 0.000 1.156 53 E HN 0.981 nan 8.360 nan 0.000 0.412 54 G N 1.504 110.285 108.800 -0.032 0.000 2.442 54 G HA2 0.173 4.134 3.960 0.001 0.000 0.249 54 G HA3 0.173 4.134 3.960 0.001 0.000 0.249 54 G C 0.684 175.570 174.900 -0.023 0.000 1.263 54 G CA 0.090 45.175 45.100 -0.025 0.000 0.846 54 G HN 0.610 nan 8.290 nan 0.000 0.555 55 T N 0.326 114.864 114.554 -0.028 0.000 3.054 55 T HA 0.167 4.518 4.350 0.001 0.000 0.255 55 T C 1.219 175.908 174.700 -0.018 0.000 1.035 55 T CA -0.351 61.728 62.100 -0.036 0.000 0.941 55 T CB -0.083 68.743 68.868 -0.070 0.000 1.026 55 T HN 0.524 nan 8.240 nan 0.000 0.533 56 M N 1.688 121.290 119.600 0.003 0.000 2.245 56 M HA 0.479 4.960 4.480 0.001 0.000 0.330 56 M C -0.554 175.753 176.300 0.011 0.000 1.098 56 M CA 0.112 55.423 55.300 0.017 0.000 1.172 56 M CB 0.094 32.705 32.600 0.017 0.000 1.467 56 M HN 0.166 nan 8.290 nan 0.000 0.454 57 E N 1.435 121.645 120.200 0.015 0.000 2.303 57 E HA 0.673 5.024 4.350 0.001 0.000 0.254 57 E C 0.895 177.499 176.600 0.008 0.000 0.979 57 E CA -0.613 55.795 56.400 0.014 0.000 0.843 57 E CB 1.002 30.712 29.700 0.017 0.000 1.245 57 E HN 0.735 nan 8.360 nan 0.000 0.413 58 A N 0.802 123.627 122.820 0.009 0.000 1.883 58 A HA -0.142 4.179 4.320 0.001 0.000 0.217 58 A C 0.903 178.485 177.584 -0.003 0.000 1.186 58 A CA 1.416 53.455 52.037 0.003 0.000 0.624 58 A CB -0.240 18.764 19.000 0.007 0.000 0.822 58 A HN 0.421 nan 8.150 nan 0.000 0.444 59 R N -0.884 119.614 120.500 -0.003 0.000 2.832 59 R HA 0.420 4.761 4.340 0.001 0.000 0.271 59 R C -2.840 173.448 176.300 -0.020 0.000 0.996 59 R CA -2.143 53.950 56.100 -0.012 0.000 0.977 59 R CB 1.149 31.442 30.300 -0.011 0.000 1.168 59 R HN 0.070 nan 8.270 nan 0.000 0.482 60 P HA 0.139 nan 4.420 nan 0.000 0.247 60 P C -0.477 176.759 177.300 -0.107 0.000 1.756 60 P CA 0.155 63.214 63.100 -0.068 0.000 1.117 60 P CB 0.496 32.150 31.700 -0.077 0.000 1.869 61 M N 0.868 120.423 119.600 -0.075 0.000 2.718 61 M HA 0.041 4.522 4.480 0.001 0.000 0.259 61 M C 1.824 178.054 176.300 -0.116 0.000 1.240 61 M CA 0.887 56.138 55.300 -0.082 0.000 1.210 61 M CB -0.267 32.321 32.600 -0.021 0.000 1.281 61 M HN 0.085 nan 8.290 nan 0.000 0.515 62 Y N 0.729 120.929 120.300 -0.167 0.000 2.231 62 Y HA 0.181 4.732 4.550 0.002 0.000 0.294 62 Y C 1.443 177.175 175.900 -0.281 0.000 1.120 62 Y CA 1.168 59.164 58.100 -0.173 0.000 1.141 62 Y CB 0.413 38.816 38.460 -0.094 0.000 1.022 62 Y HN -0.055 nan 8.280 nan 0.000 0.523 63 R N -0.822 119.496 120.500 -0.304 0.000 3.270 63 R HA 0.132 4.473 4.340 0.001 0.000 0.252 63 R C 1.160 177.292 176.300 -0.280 0.000 1.331 63 R CA 0.148 55.963 56.100 -0.475 0.000 1.028 63 R CB 0.557 30.694 30.300 -0.271 0.000 1.450 63 R HN 0.134 nan 8.270 nan 0.000 0.471 64 E N 0.778 120.875 120.200 -0.171 0.000 2.400 64 E HA 0.039 4.390 4.350 0.001 0.000 0.195 64 E C -0.641 175.940 176.600 -0.032 0.000 1.012 64 E CA 0.718 57.064 56.400 -0.090 0.000 0.875 64 E CB 0.421 30.125 29.700 0.007 0.000 0.859 64 E HN 0.407 nan 8.360 nan 0.000 0.498 65 E N 1.359 121.553 120.200 -0.010 0.000 2.283 65 E HA 0.281 4.632 4.350 0.001 0.000 0.271 65 E C -0.358 176.240 176.600 -0.003 0.000 1.031 65 E CA -0.234 56.168 56.400 0.004 0.000 0.868 65 E CB 1.417 31.131 29.700 0.024 0.000 1.094 65 E HN 0.230 nan 8.360 nan 0.000 0.401 66 T N -1.487 113.063 114.554 -0.008 0.000 2.924 66 T HA 0.380 4.731 4.350 0.001 0.000 0.291 66 T C 1.121 175.815 174.700 -0.011 0.000 1.045 66 T CA -0.754 61.340 62.100 -0.009 0.000 1.015 66 T CB 0.792 69.651 68.868 -0.014 0.000 1.103 66 T HN 0.394 nan 8.240 nan 0.000 0.496 67 I N 1.053 121.618 120.570 -0.008 0.000 2.194 67 I HA -0.184 3.987 4.170 0.001 0.000 0.246 67 I C 2.910 179.015 176.117 -0.019 0.000 1.093 67 I CA 1.973 63.267 61.300 -0.010 0.000 1.355 67 I CB -0.562 37.435 38.000 -0.004 0.000 1.046 67 I HN 0.904 nan 8.210 nan 0.000 0.413 68 A N 0.476 123.284 122.820 -0.021 0.000 1.897 68 A HA -0.063 4.258 4.320 0.001 0.000 0.215 68 A C 2.427 179.987 177.584 -0.042 0.000 1.181 68 A CA 1.665 53.685 52.037 -0.027 0.000 0.620 68 A CB -1.312 17.675 19.000 -0.022 0.000 0.821 68 A HN 0.455 nan 8.150 nan 0.000 0.443 69 G N -0.504 108.271 108.800 -0.042 0.000 2.402 69 G HA2 0.054 4.014 3.960 0.001 0.000 0.216 69 G HA3 0.054 4.014 3.960 0.001 0.000 0.216 69 G C 1.726 176.575 174.900 -0.086 0.000 1.162 69 G CA 1.356 46.419 45.100 -0.061 0.000 0.777 69 G HN 0.735 nan 8.290 nan 0.000 0.539 70 A N 0.658 123.441 122.820 -0.062 0.000 1.873 70 A HA 0.118 4.439 4.320 0.001 0.000 0.215 70 A C 2.431 179.961 177.584 -0.089 0.000 1.186 70 A CA 1.216 53.214 52.037 -0.065 0.000 0.616 70 A CB -0.442 18.545 19.000 -0.022 0.000 0.823 70 A HN 0.330 nan 8.150 nan 0.000 0.442 71 L N -0.616 120.567 121.223 -0.066 0.000 2.056 71 L HA -0.183 4.158 4.340 0.001 0.000 0.207 71 L C 2.405 179.218 176.870 -0.096 0.000 1.078 71 L CA 1.913 56.715 54.840 -0.064 0.000 0.749 71 L CB -0.692 41.348 42.059 -0.033 0.000 0.901 71 L HN 0.568 nan 8.230 nan 0.000 0.433 72 D N 0.246 120.586 120.400 -0.100 0.000 2.178 72 D HA -0.231 4.409 4.640 0.001 0.000 0.201 72 D C 2.109 178.289 176.300 -0.200 0.000 0.980 72 D CA 0.750 54.680 54.000 -0.117 0.000 0.842 72 D CB 0.131 40.874 40.800 -0.095 0.000 0.948 72 D HN 0.107 nan 8.370 nan 0.000 0.472 73 L N -0.002 121.058 121.223 -0.271 0.000 2.109 73 L HA 0.051 4.392 4.340 0.001 0.000 0.207 73 L C 1.979 178.506 176.870 -0.572 0.000 1.086 73 L CA 1.279 55.822 54.840 -0.495 0.000 0.760 73 L CB -0.373 41.338 42.059 -0.581 0.000 0.910 73 L HN 0.207 nan 8.230 nan 0.000 0.437 74 L N -0.468 120.557 121.223 -0.330 0.000 2.005 74 L HA -0.180 4.161 4.340 0.001 0.000 0.207 74 L C 2.814 179.566 176.870 -0.196 0.000 1.072 74 L CA 1.797 56.529 54.840 -0.180 0.000 0.744 74 L CB -0.498 41.516 42.059 -0.076 0.000 0.895 74 L HN 0.358 nan 8.230 nan 0.000 0.433 75 R N -0.269 120.099 120.500 -0.220 0.000 2.119 75 R HA -0.002 4.339 4.340 0.001 0.000 0.222 75 R C 1.998 178.197 176.300 -0.168 0.000 1.088 75 R CA 1.216 57.143 56.100 -0.288 0.000 0.984 75 R CB -0.730 29.463 30.300 -0.179 0.000 0.884 75 R HN 0.226 nan 8.270 nan 0.000 0.447 76 G N -0.648 108.060 108.800 -0.153 0.000 2.683 76 G HA2 -0.003 3.957 3.960 0.001 0.000 0.213 76 G HA3 -0.003 3.957 3.960 0.001 0.000 0.213 76 G C 0.749 175.566 174.900 -0.139 0.000 1.142 76 G CA 0.785 45.813 45.100 -0.119 0.000 0.793 76 G HN 0.371 nan 8.290 nan 0.000 0.534 77 T N -0.575 113.851 114.554 -0.213 0.000 3.449 77 T HA 0.180 4.531 4.350 0.001 0.000 0.268 77 T C 1.646 176.357 174.700 0.018 0.000 0.996 77 T CA -0.234 61.745 62.100 -0.200 0.000 1.125 77 T CB -0.037 68.517 68.868 -0.524 0.000 1.172 77 T HN -0.009 nan 8.240 nan 0.000 0.430 78 F N 2.050 121.928 119.950 -0.120 0.000 2.163 78 F HA 0.306 4.833 4.527 0.001 0.000 0.297 78 F C 2.115 177.888 175.800 -0.044 0.000 1.094 78 F CA 0.134 58.093 58.000 -0.068 0.000 1.290 78 F CB -1.125 37.830 39.000 -0.076 0.000 1.017 78 F HN 0.073 nan 8.300 nan 0.000 0.483 79 L N -0.279 121.008 121.223 0.106 0.000 2.044 79 L HA -0.113 4.227 4.340 0.001 0.000 0.205 79 L C -0.333 176.573 176.870 0.060 0.000 1.075 79 L CA 1.172 56.035 54.840 0.038 0.000 0.747 79 L CB -2.020 39.980 42.059 -0.099 0.000 0.903 79 L HN 0.031 nan 8.230 nan 0.000 0.435 80 P HA -0.152 nan 4.420 nan 0.000 0.219 80 P C 1.340 178.697 177.300 0.095 0.000 1.146 80 P CA 1.548 64.689 63.100 0.069 0.000 0.808 80 P CB 0.011 31.742 31.700 0.052 0.000 0.779 81 A N -0.349 122.545 122.820 0.123 0.000 2.014 81 A HA -0.094 4.227 4.320 0.001 0.000 0.218 81 A C 1.990 179.676 177.584 0.169 0.000 1.163 81 A CA 1.385 53.510 52.037 0.147 0.000 0.652 81 A CB -1.230 17.885 19.000 0.191 0.000 0.808 81 A HN 0.364 nan 8.150 nan 0.000 0.449 82 I N -4.345 116.331 120.570 0.177 0.000 4.187 82 I HA 0.335 4.506 4.170 0.001 0.000 0.326 82 I C 0.030 176.295 176.117 0.247 0.000 1.302 82 I CA -0.294 61.175 61.300 0.282 0.000 1.196 82 I CB -0.039 38.056 38.000 0.157 0.000 1.095 82 I HN -0.074 nan 8.210 nan 0.000 0.411 83 L N 3.826 125.143 121.223 0.157 0.000 2.534 83 L HA 0.262 4.603 4.340 0.001 0.000 0.271 83 L C 1.339 178.269 176.870 0.099 0.000 1.178 83 L CA 1.230 56.150 54.840 0.133 0.000 0.907 83 L CB 0.415 42.543 42.059 0.115 0.000 1.164 83 L HN 0.636 nan 8.230 nan 0.000 0.482 84 G N 1.737 110.590 108.800 0.089 0.000 2.217 84 G HA2 -0.197 3.764 3.960 0.001 0.000 0.246 84 G HA3 -0.197 3.764 3.960 0.001 0.000 0.246 84 G C 0.279 175.162 174.900 -0.027 0.000 0.990 84 G CA -0.480 44.641 45.100 0.036 0.000 0.627 84 G HN 0.498 nan 8.290 nan 0.000 0.522 85 Q N 0.668 120.440 119.800 -0.047 0.000 2.227 85 Q HA 0.627 4.968 4.340 0.001 0.000 0.245 85 Q C -0.156 175.544 176.000 -0.500 0.000 0.926 85 Q CA 0.138 55.752 55.803 -0.315 0.000 0.895 85 Q CB 1.340 29.808 28.738 -0.449 0.000 1.230 85 Q HN 0.212 nan 8.270 nan 0.000 0.450 86 T N 2.013 116.142 114.554 -0.708 0.000 2.823 86 T HA 0.670 5.021 4.350 0.001 0.000 0.279 86 T C -0.775 173.322 174.700 -1.004 0.000 0.998 86 T CA -0.252 61.483 62.100 -0.609 0.000 0.994 86 T CB 0.274 68.946 68.868 -0.327 0.000 0.960 86 T HN 0.240 nan 8.240 nan 0.000 0.448 87 F N 0.261 119.829 119.950 -0.637 0.000 2.577 87 F HA 0.610 5.137 4.527 0.001 0.000 0.318 87 F C 0.981 176.310 175.800 -0.785 0.000 1.065 87 F CA -1.184 56.350 58.000 -0.776 0.000 0.929 87 F CB 1.603 39.949 39.000 -1.090 0.000 1.237 87 F HN 0.632 nan 8.300 nan 0.000 0.468 88 A N 1.712 124.341 122.820 -0.319 0.000 1.984 88 A HA 0.189 4.510 4.320 0.001 0.000 0.214 88 A C 0.260 177.543 177.584 -0.502 0.000 1.173 88 A CA 0.894 52.763 52.037 -0.280 0.000 0.673 88 A CB -0.464 18.434 19.000 -0.170 0.000 0.830 88 A HN 0.847 nan 8.150 nan 0.000 0.453 89 N N -3.190 115.203 118.700 -0.511 0.000 3.116 89 N HA 0.227 4.968 4.740 0.001 0.000 0.244 89 N C -2.995 172.164 175.510 -0.585 0.000 1.485 89 N CA -1.482 51.040 53.050 -0.879 0.000 0.884 89 N CB 0.796 38.802 38.487 -0.802 0.000 1.415 89 N HN -0.317 nan 8.380 nan 0.000 0.524 90 P HA -0.091 nan 4.420 nan 0.000 0.218 90 P C 0.637 177.653 177.300 -0.473 0.000 1.148 90 P CA 1.430 64.069 63.100 -0.769 0.000 0.822 90 P CB 0.181 30.874 31.700 -1.679 0.000 0.784 91 E N -0.347 119.632 120.200 -0.369 0.000 2.106 91 E HA -0.108 4.243 4.350 0.001 0.000 0.192 91 E C 2.149 178.658 176.600 -0.151 0.000 0.984 91 E CA 1.367 57.672 56.400 -0.159 0.000 0.806 91 E CB -1.021 28.639 29.700 -0.067 0.000 0.750 91 E HN 0.126 nan 8.360 nan 0.000 0.458 92 A N 0.450 123.167 122.820 -0.172 0.000 1.972 92 A HA -0.155 4.166 4.320 0.001 0.000 0.219 92 A C 2.396 179.903 177.584 -0.129 0.000 1.169 92 A CA 1.261 53.249 52.037 -0.081 0.000 0.635 92 A CB -0.597 18.397 19.000 -0.011 0.000 0.810 92 A HN 0.149 nan 8.150 nan 0.000 0.446 93 V N -0.239 119.429 119.914 -0.410 0.000 2.307 93 V HA -0.224 3.897 4.120 0.001 0.000 0.245 93 V C 2.769 178.651 176.094 -0.355 0.000 1.045 93 V CA 2.306 64.186 62.300 -0.700 0.000 1.024 93 V CB -0.977 30.397 31.823 -0.749 0.000 0.651 93 V HN 0.557 nan 8.190 nan 0.000 0.449 94 S N 0.173 115.724 115.700 -0.249 0.000 2.365 94 S HA -0.302 4.169 4.470 0.001 0.000 0.225 94 S C 1.834 176.357 174.600 -0.129 0.000 1.039 94 S CA 2.037 60.131 58.200 -0.177 0.000 1.033 94 S CB -0.532 62.606 63.200 -0.102 0.000 0.887 94 S HN 0.835 nan 8.310 nan 0.000 0.447 95 D N 1.323 121.671 120.400 -0.088 0.000 2.218 95 D HA -0.018 4.623 4.640 0.001 0.000 0.204 95 D C 1.670 177.957 176.300 -0.022 0.000 0.976 95 D CA 1.031 55.005 54.000 -0.044 0.000 0.853 95 D CB -0.219 40.565 40.800 -0.026 0.000 0.939 95 D HN 0.358 nan 8.370 nan 0.000 0.481 96 A N -0.273 122.542 122.820 -0.010 0.000 2.206 96 A HA 0.134 4.454 4.320 0.001 0.000 0.211 96 A C 1.641 179.249 177.584 0.040 0.000 1.158 96 A CA 0.270 52.339 52.037 0.054 0.000 0.761 96 A CB -0.339 18.771 19.000 0.184 0.000 0.801 96 A HN 0.382 nan 8.150 nan 0.000 0.473 97 L N -0.610 120.590 121.223 -0.038 0.000 2.848 97 L HA 0.195 4.536 4.340 0.001 0.000 0.240 97 L C 2.039 178.970 176.870 0.101 0.000 1.232 97 L CA 0.105 54.936 54.840 -0.015 0.000 1.031 97 L CB -0.105 41.683 42.059 -0.452 0.000 1.338 97 L HN 0.396 nan 8.230 nan 0.000 0.509 98 G N 0.621 109.442 108.800 0.036 0.000 2.433 98 G HA2 -0.247 3.714 3.960 0.001 0.000 0.216 98 G HA3 -0.247 3.714 3.960 0.001 0.000 0.216 98 G C 1.501 176.373 174.900 -0.047 0.000 1.186 98 G CA 1.010 46.100 45.100 -0.018 0.000 0.779 98 G HN 0.504 nan 8.290 nan 0.000 0.543 99 S N -0.649 114.932 115.700 -0.197 0.000 2.671 99 S HA 0.317 4.788 4.470 0.001 0.000 0.220 99 S C 0.135 174.552 174.600 -0.306 0.000 0.951 99 S CA -0.565 57.467 58.200 -0.281 0.000 0.932 99 S CB -0.355 62.636 63.200 -0.349 0.000 0.777 99 S HN 0.338 nan 8.310 nan 0.000 0.508 100 Y N 1.703 122.059 120.300 0.094 0.000 2.403 100 Y HA 0.555 5.106 4.550 0.001 0.000 0.323 100 Y C 1.025 176.985 175.900 0.099 0.000 1.226 100 Y CA -1.240 56.932 58.100 0.120 0.000 1.235 100 Y CB 0.898 39.492 38.460 0.224 0.000 1.248 100 Y HN -0.076 nan 8.280 nan 0.000 0.489 101 R N 0.955 121.604 120.500 0.248 0.000 2.532 101 R HA 0.497 4.838 4.340 0.001 0.000 0.295 101 R C 0.487 176.873 176.300 0.144 0.000 0.968 101 R CA -0.071 56.119 56.100 0.149 0.000 0.916 101 R CB 1.447 31.810 30.300 0.104 0.000 1.124 101 R HN 0.963 nan 8.270 nan 0.000 0.463 102 G N 2.500 111.368 108.800 0.114 0.000 2.582 102 G HA2 -0.439 3.522 3.960 0.001 0.000 0.288 102 G HA3 -0.439 3.522 3.960 0.001 0.000 0.288 102 G C -0.208 174.770 174.900 0.130 0.000 1.247 102 G CA 0.471 45.634 45.100 0.105 0.000 0.972 102 G HN 0.876 nan 8.290 nan 0.000 0.557 103 N N -0.731 118.037 118.700 0.113 0.000 2.725 103 N HA -0.195 4.546 4.740 0.001 0.000 0.251 103 N C 1.295 176.890 175.510 0.140 0.000 1.031 103 N CA 1.266 54.388 53.050 0.121 0.000 0.720 103 N CB -0.416 38.151 38.487 0.133 0.000 0.930 103 N HN 0.703 nan 8.380 nan 0.000 0.543 104 R N -0.096 120.465 120.500 0.102 0.000 2.092 104 R HA 0.012 4.353 4.340 0.001 0.000 0.231 104 R C 1.848 178.186 176.300 0.065 0.000 1.119 104 R CA 1.574 57.721 56.100 0.079 0.000 0.970 104 R CB -0.109 30.229 30.300 0.063 0.000 0.864 104 R HN 0.471 nan 8.270 nan 0.000 0.440 105 M N -0.078 119.561 119.600 0.065 0.000 2.117 105 M HA -0.112 4.369 4.480 0.001 0.000 0.262 105 M C 2.531 178.864 176.300 0.054 0.000 1.065 105 M CA 1.713 57.039 55.300 0.043 0.000 1.114 105 M CB -0.333 32.293 32.600 0.043 0.000 1.361 105 M HN 0.220 nan 8.290 nan 0.000 0.408 106 A N 0.562 123.441 122.820 0.099 0.000 1.902 106 A HA -0.146 4.175 4.320 0.001 0.000 0.217 106 A C 2.163 179.884 177.584 0.229 0.000 1.181 106 A CA 1.471 53.599 52.037 0.152 0.000 0.623 106 A CB -0.627 18.466 19.000 0.156 0.000 0.818 106 A HN 0.417 nan 8.150 nan 0.000 0.443 107 R N -0.561 120.070 120.500 0.219 0.000 2.105 107 R HA -0.121 4.219 4.340 0.001 0.000 0.239 107 R C 2.374 178.648 176.300 -0.043 0.000 1.135 107 R CA 1.212 57.304 56.100 -0.013 0.000 0.967 107 R CB -0.440 29.817 30.300 -0.071 0.000 0.861 107 R HN 0.523 nan 8.270 nan 0.000 0.442 108 A N 0.724 123.539 122.820 -0.008 0.000 2.015 108 A HA -0.123 4.198 4.320 0.001 0.000 0.219 108 A C 2.093 179.643 177.584 -0.057 0.000 1.163 108 A CA 1.069 53.079 52.037 -0.044 0.000 0.646 108 A CB -0.321 18.642 19.000 -0.062 0.000 0.806 108 A HN 0.192 nan 8.150 nan 0.000 0.448 109 M N -0.736 118.848 119.600 -0.027 0.000 2.117 109 M HA -0.133 4.348 4.480 0.001 0.000 0.262 109 M C 2.051 178.340 176.300 -0.018 0.000 1.065 109 M CA 1.409 56.691 55.300 -0.029 0.000 1.114 109 M CB -0.415 32.187 32.600 0.003 0.000 1.361 109 M HN 0.272 nan 8.290 nan 0.000 0.408 110 V N -0.114 119.790 119.914 -0.016 0.000 2.283 110 V HA -0.213 3.908 4.120 0.001 0.000 0.243 110 V C 2.392 178.457 176.094 -0.048 0.000 1.039 110 V CA 1.786 64.061 62.300 -0.042 0.000 1.016 110 V CB -0.824 30.942 31.823 -0.096 0.000 0.650 110 V HN 0.468 nan 8.190 nan 0.000 0.449 111 E N 0.019 120.191 120.200 -0.048 0.000 2.118 111 E HA -0.235 4.116 4.350 0.001 0.000 0.195 111 E C 2.159 178.871 176.600 0.187 0.000 0.992 111 E CA 1.816 58.226 56.400 0.016 0.000 0.804 111 E CB -0.105 29.619 29.700 0.040 0.000 0.741 111 E HN 0.580 nan 8.360 nan 0.000 0.458 112 M N -0.436 119.252 119.600 0.148 0.000 2.193 112 M HA -0.024 4.456 4.480 0.001 0.000 0.265 112 M C 2.438 178.919 176.300 0.303 0.000 1.071 112 M CA 1.166 56.621 55.300 0.259 0.000 1.140 112 M CB -0.125 32.374 32.600 -0.167 0.000 1.369 112 M HN 0.071 nan 8.290 nan 0.000 0.423 113 A N 0.687 123.581 122.820 0.123 0.000 1.933 113 A HA -0.078 4.243 4.320 0.001 0.000 0.218 113 A C 2.367 180.000 177.584 0.082 0.000 1.175 113 A CA 1.938 54.040 52.037 0.108 0.000 0.628 113 A CB -0.921 18.100 19.000 0.035 0.000 0.814 113 A HN 0.486 nan 8.150 nan 0.000 0.444 114 A N -1.586 121.258 122.820 0.041 0.000 1.933 114 A HA -0.169 4.152 4.320 0.001 0.000 0.218 114 A C 1.975 179.512 177.584 -0.078 0.000 1.175 114 A CA 1.349 53.347 52.037 -0.066 0.000 0.628 114 A CB -0.856 18.060 19.000 -0.140 0.000 0.814 114 A HN 0.753 nan 8.150 nan 0.000 0.444 115 W N -0.135 121.212 121.300 0.077 0.000 2.388 115 W HA -0.117 4.544 4.660 0.001 0.000 0.294 115 W C 2.061 178.604 176.519 0.040 0.000 1.212 115 W CA 1.284 58.702 57.345 0.121 0.000 1.271 115 W CB -0.071 29.492 29.460 0.172 0.000 1.126 115 W HN 0.478 nan 8.180 nan 0.000 0.535 116 D N -0.078 120.476 120.400 0.256 0.000 2.097 116 D HA -0.182 4.459 4.640 0.001 0.000 0.197 116 D C 2.043 178.335 176.300 -0.013 0.000 0.984 116 D CA 1.255 55.299 54.000 0.073 0.000 0.826 116 D CB -0.466 40.386 40.800 0.087 0.000 0.973 116 D HN -0.005 nan 8.370 nan 0.000 0.460 117 L N 0.649 121.850 121.223 -0.037 0.000 1.989 117 L HA -0.104 4.237 4.340 0.001 0.000 0.211 117 L C 2.249 179.014 176.870 -0.175 0.000 1.071 117 L CA 2.022 56.792 54.840 -0.117 0.000 0.749 117 L CB -1.095 40.873 42.059 -0.152 0.000 0.890 117 L HN 0.410 nan 8.230 nan 0.000 0.431 118 W N 0.313 121.291 121.300 -0.536 0.000 2.317 118 W HA -0.349 4.313 4.660 0.002 0.000 0.318 118 W C 2.143 178.510 176.519 -0.254 0.000 1.227 118 W CA 1.789 58.776 57.345 -0.596 0.000 1.269 118 W CB -0.241 28.841 29.460 -0.630 0.000 1.155 118 W HN 0.377 nan 8.180 nan 0.000 0.484 119 A N 1.018 123.715 122.820 -0.205 0.000 1.933 119 A HA -0.207 4.114 4.320 0.001 0.000 0.218 119 A C 1.961 179.388 177.584 -0.261 0.000 1.175 119 A CA 1.866 53.726 52.037 -0.296 0.000 0.628 119 A CB -0.843 18.085 19.000 -0.120 0.000 0.814 119 A HN 0.446 nan 8.150 nan 0.000 0.444 120 R N -0.652 119.740 120.500 -0.180 0.000 2.153 120 R HA -0.055 4.286 4.340 0.001 0.000 0.218 120 R C 2.356 178.577 176.300 -0.131 0.000 1.072 120 R CA 1.525 57.543 56.100 -0.137 0.000 0.990 120 R CB -0.488 29.755 30.300 -0.095 0.000 0.889 120 R HN 0.750 nan 8.270 nan 0.000 0.452 121 T N -1.125 113.340 114.554 -0.149 0.000 2.915 121 T HA -0.029 4.322 4.350 0.001 0.000 0.269 121 T C 1.721 176.320 174.700 -0.169 0.000 1.071 121 T CA 0.863 62.901 62.100 -0.104 0.000 1.132 121 T CB -0.036 68.819 68.868 -0.022 0.000 0.878 121 T HN 0.138 nan 8.240 nan 0.000 0.479 122 L N 0.247 121.289 121.223 -0.302 0.000 2.477 122 L HA 0.350 4.691 4.340 0.001 0.000 0.220 122 L C 2.087 178.838 176.870 -0.197 0.000 1.106 122 L CA 0.489 55.142 54.840 -0.312 0.000 0.851 122 L CB -0.590 41.156 42.059 -0.522 0.000 0.994 122 L HN 0.592 nan 8.230 nan 0.000 0.462 123 G N 1.052 109.752 108.800 -0.166 0.000 2.160 123 G HA2 -0.236 3.724 3.960 0.001 0.000 0.251 123 G HA3 -0.236 3.724 3.960 0.001 0.000 0.251 123 G C -0.026 174.804 174.900 -0.116 0.000 1.008 123 G CA 0.208 45.238 45.100 -0.117 0.000 0.724 123 G HN 0.149 nan 8.290 nan 0.000 0.514 124 V N 0.566 120.389 119.914 -0.152 0.000 2.555 124 V HA 0.535 4.656 4.120 0.001 0.000 0.302 124 V C -1.868 174.153 176.094 -0.123 0.000 1.038 124 V CA -2.032 60.193 62.300 -0.125 0.000 0.887 124 V CB 2.148 33.887 31.823 -0.140 0.000 0.991 124 V HN 0.061 nan 8.190 nan 0.000 0.434 125 P HA 0.010 nan 4.420 nan 0.000 0.265 125 P C 0.595 177.816 177.300 -0.131 0.000 1.187 125 P CA -0.019 63.034 63.100 -0.078 0.000 0.766 125 P CB 0.623 32.344 31.700 0.036 0.000 0.820 126 L N 4.871 125.898 121.223 -0.327 0.000 1.994 126 L HA -0.074 4.267 4.340 0.001 0.000 0.208 126 L C 2.314 179.065 176.870 -0.197 0.000 1.071 126 L CA 2.666 57.304 54.840 -0.336 0.000 0.745 126 L CB -1.769 39.916 42.059 -0.624 0.000 0.892 126 L HN 0.521 nan 8.230 nan 0.000 0.431 127 G N -1.861 106.949 108.800 0.017 0.000 2.507 127 G HA2 -0.306 3.655 3.960 0.001 0.000 0.221 127 G HA3 -0.306 3.655 3.960 0.001 0.000 0.221 127 G C 1.437 176.320 174.900 -0.028 0.000 1.119 127 G CA 1.395 46.496 45.100 0.003 0.000 0.751 127 G HN 0.475 nan 8.290 nan 0.000 0.574 128 T N 0.882 115.438 114.554 0.003 0.000 2.821 128 T HA 0.040 4.390 4.350 0.001 0.000 0.267 128 T C 2.326 177.033 174.700 0.012 0.000 1.046 128 T CA 0.580 62.688 62.100 0.014 0.000 1.139 128 T CB -0.123 68.751 68.868 0.010 0.000 0.871 128 T HN 0.152 nan 8.240 nan 0.000 0.454 129 L N 0.349 121.570 121.223 -0.004 0.000 2.217 129 L HA 0.100 4.441 4.340 0.001 0.000 0.211 129 L C 1.987 178.886 176.870 0.048 0.000 1.107 129 L CA 0.876 55.754 54.840 0.064 0.000 0.783 129 L CB -0.251 41.898 42.059 0.148 0.000 0.919 129 L HN 0.287 nan 8.230 nan 0.000 0.442 130 L N -1.113 120.053 121.223 -0.094 0.000 2.558 130 L HA 0.135 4.476 4.340 0.001 0.000 0.225 130 L C 1.420 178.275 176.870 -0.025 0.000 1.128 130 L CA 0.683 55.432 54.840 -0.152 0.000 0.868 130 L CB -0.059 41.808 42.059 -0.319 0.000 1.006 130 L HN 0.444 nan 8.230 nan 0.000 0.454 131 G N -0.439 108.373 108.800 0.020 0.000 2.184 131 G HA2 -0.190 3.771 3.960 0.001 0.000 0.206 131 G HA3 -0.190 3.771 3.960 0.001 0.000 0.206 131 G C 0.519 175.491 174.900 0.120 0.000 0.995 131 G CA -0.337 44.813 45.100 0.083 0.000 0.651 131 G HN 0.464 nan 8.290 nan 0.000 0.511 132 G N -0.301 108.527 108.800 0.047 0.000 2.503 132 G HA2 0.603 4.564 3.960 0.001 0.000 0.257 132 G HA3 0.603 4.564 3.960 0.001 0.000 0.257 132 G C 0.018 174.972 174.900 0.089 0.000 1.214 132 G CA 0.166 45.269 45.100 0.005 0.000 0.839 132 G HN 1.363 nan 8.290 nan 0.000 0.559 133 H N -1.667 117.397 119.070 -0.009 0.000 2.901 133 H HA 0.438 4.995 4.556 0.001 0.000 0.227 133 H C -0.115 175.202 175.328 -0.017 0.000 1.390 133 H CA -0.705 55.337 56.048 -0.011 0.000 1.120 133 H CB 0.066 29.829 29.762 0.001 0.000 2.131 133 H HN 0.273 nan 8.280 nan 0.000 0.549 134 K N 0.736 121.070 120.400 -0.110 0.000 2.123 134 K HA 0.252 4.573 4.320 0.001 0.000 0.259 134 K C 0.109 176.666 176.600 -0.072 0.000 0.960 134 K CA -0.624 55.608 56.287 -0.092 0.000 0.872 134 K CB 1.983 34.412 32.500 -0.119 0.000 1.079 134 K HN 0.434 nan 8.250 nan 0.000 0.440 135 E N 1.096 121.264 120.200 -0.054 0.000 2.431 135 E HA -0.040 4.311 4.350 0.001 0.000 0.200 135 E C -0.129 176.426 176.600 -0.076 0.000 0.995 135 E CA 0.274 56.639 56.400 -0.058 0.000 0.915 135 E CB 0.614 30.296 29.700 -0.031 0.000 0.930 135 E HN 0.477 nan 8.360 nan 0.000 0.496 136 Q N 0.270 120.026 119.800 -0.072 0.000 2.511 136 Q HA 0.569 4.910 4.340 0.001 0.000 0.289 136 Q C -0.790 175.167 176.000 -0.071 0.000 1.021 136 Q CA -1.058 54.700 55.803 -0.076 0.000 0.785 136 Q CB 2.316 31.020 28.738 -0.057 0.000 1.472 136 Q HN -0.023 nan 8.270 nan 0.000 0.411 137 V N -2.739 117.135 119.914 -0.067 0.000 2.823 137 V HA 0.579 4.700 4.120 0.001 0.000 0.312 137 V C -0.614 175.469 176.094 -0.018 0.000 1.072 137 V CA -0.915 61.355 62.300 -0.050 0.000 0.937 137 V CB 1.915 33.689 31.823 -0.082 0.000 1.013 137 V HN 0.835 nan 8.190 nan 0.000 0.430 138 E N 1.935 122.142 120.200 0.010 0.000 2.331 138 E HA 0.552 4.903 4.350 0.001 0.000 0.272 138 E C -0.409 176.221 176.600 0.049 0.000 1.036 138 E CA -0.476 55.937 56.400 0.021 0.000 0.864 138 E CB 2.041 31.759 29.700 0.030 0.000 1.035 138 E HN 0.933 nan 8.360 nan 0.000 0.408 139 V N -0.738 119.210 119.914 0.057 0.000 2.864 139 V HA 0.898 5.019 4.120 0.001 0.000 0.314 139 V C 0.103 176.308 176.094 0.185 0.000 1.073 139 V CA -0.639 61.732 62.300 0.118 0.000 0.956 139 V CB 1.743 33.649 31.823 0.137 0.000 1.023 139 V HN 0.683 nan 8.190 nan 0.000 0.435 140 G N 0.417 109.304 108.800 0.145 0.000 2.735 140 G HA2 0.712 4.673 3.960 0.001 0.000 0.301 140 G HA3 0.712 4.673 3.960 0.001 0.000 0.301 140 G C -1.218 173.585 174.900 -0.161 0.000 1.279 140 G CA -0.611 44.514 45.100 0.043 0.000 1.019 140 G HN 1.397 nan 8.290 nan 0.000 0.497 141 V N -0.789 118.828 119.914 -0.495 0.000 2.864 141 V HA 0.793 4.914 4.120 0.001 0.000 0.314 141 V C -0.561 175.272 176.094 -0.436 0.000 1.073 141 V CA -0.604 61.217 62.300 -0.797 0.000 0.956 141 V CB 2.329 33.180 31.823 -1.620 0.000 1.023 141 V HN 0.733 nan 8.190 nan 0.000 0.435 142 S N 5.941 121.443 115.700 -0.330 0.000 2.498 142 S HA 0.744 5.215 4.470 0.001 0.000 0.317 142 S C -1.054 173.469 174.600 -0.128 0.000 1.090 142 S CA -0.371 57.735 58.200 -0.157 0.000 1.089 142 S CB 1.237 64.407 63.200 -0.049 0.000 0.997 142 S HN 0.530 nan 8.310 nan 0.000 0.470 143 L N 2.805 123.988 121.223 -0.067 0.000 2.322 143 L HA 0.618 4.959 4.340 0.001 0.000 0.281 143 L C 1.018 177.908 176.870 0.033 0.000 1.014 143 L CA -0.122 54.715 54.840 -0.005 0.000 0.815 143 L CB 1.177 43.253 42.059 0.030 0.000 1.247 143 L HN 0.757 nan 8.230 nan 0.000 0.421 144 G N 2.665 111.488 108.800 0.039 0.000 2.653 144 G HA2 0.394 4.355 3.960 0.001 0.000 0.265 144 G HA3 0.394 4.355 3.960 0.001 0.000 0.265 144 G C 0.032 174.981 174.900 0.082 0.000 1.237 144 G CA -0.647 44.486 45.100 0.054 0.000 0.946 144 G HN 0.516 nan 8.290 nan 0.000 0.522 145 I N 1.135 121.757 120.570 0.087 0.000 2.598 145 I HA 0.042 4.213 4.170 0.001 0.000 0.284 145 I C 0.555 176.691 176.117 0.031 0.000 1.140 145 I CA 0.047 61.413 61.300 0.109 0.000 1.420 145 I CB 0.793 38.833 38.000 0.066 0.000 1.387 145 I HN 0.306 nan 8.210 nan 0.000 0.553 146 Q N 4.683 124.525 119.800 0.070 0.000 2.166 146 Q HA 0.439 4.779 4.340 0.001 0.000 0.226 146 Q C 0.900 176.807 176.000 -0.154 0.000 0.989 146 Q CA -0.479 55.325 55.803 0.002 0.000 0.966 146 Q CB 0.972 29.762 28.738 0.085 0.000 1.173 146 Q HN 0.741 nan 8.270 nan 0.000 0.509 147 A N 0.212 122.952 122.820 -0.133 0.000 1.968 147 A HA -0.078 4.243 4.320 0.001 0.000 0.217 147 A C 0.185 177.596 177.584 -0.289 0.000 1.169 147 A CA 2.075 53.979 52.037 -0.221 0.000 0.638 147 A CB -0.146 18.781 19.000 -0.122 0.000 0.812 147 A HN 0.798 nan 8.150 nan 0.000 0.446 148 D N -4.134 116.221 120.400 -0.074 0.000 2.838 148 D HA 0.245 4.886 4.640 0.001 0.000 0.334 148 D C 0.273 176.813 176.300 0.401 0.000 1.315 148 D CA -0.305 53.769 54.000 0.123 0.000 0.917 148 D CB -0.184 40.662 40.800 0.077 0.000 1.435 148 D HN -0.035 nan 8.370 nan 0.000 0.517 149 E N -1.065 119.371 120.200 0.393 0.000 2.047 149 E HA -0.164 4.187 4.350 0.001 0.000 0.191 149 E C 1.561 178.241 176.600 0.134 0.000 0.987 149 E CA 0.923 57.463 56.400 0.232 0.000 0.799 149 E CB 0.003 29.769 29.700 0.110 0.000 0.752 149 E HN 0.325 nan 8.360 nan 0.000 0.449 150 Q N -0.032 119.828 119.800 0.101 0.000 2.230 150 Q HA -0.009 4.332 4.340 0.001 0.000 0.202 150 Q C 1.999 178.037 176.000 0.064 0.000 0.963 150 Q CA 0.998 56.839 55.803 0.063 0.000 0.866 150 Q CB 0.036 28.798 28.738 0.040 0.000 0.931 150 Q HN 0.227 nan 8.270 nan 0.000 0.452 151 A N -0.349 122.515 122.820 0.073 0.000 1.969 151 A HA -0.110 4.211 4.320 0.001 0.000 0.218 151 A C 2.244 179.870 177.584 0.070 0.000 1.169 151 A CA 1.724 53.794 52.037 0.055 0.000 0.635 151 A CB -0.500 18.525 19.000 0.041 0.000 0.810 151 A HN 0.333 nan 8.150 nan 0.000 0.445 152 T N -0.524 114.099 114.554 0.115 0.000 2.777 152 T HA -0.086 4.265 4.350 0.001 0.000 0.266 152 T C 1.868 176.619 174.700 0.085 0.000 1.040 152 T CA 1.530 63.701 62.100 0.118 0.000 1.141 152 T CB -0.282 68.689 68.868 0.171 0.000 0.868 152 T HN 0.147 nan 8.240 nan 0.000 0.444 153 V N 1.850 121.818 119.914 0.090 0.000 2.358 153 V HA -0.146 3.974 4.120 0.001 0.000 0.246 153 V C 2.445 178.614 176.094 0.125 0.000 1.047 153 V CA 1.583 63.955 62.300 0.121 0.000 1.035 153 V CB -0.453 31.428 31.823 0.097 0.000 0.658 153 V HN 0.555 nan 8.190 nan 0.000 0.452 154 D N -0.197 120.245 120.400 0.071 0.000 2.117 154 D HA -0.165 4.476 4.640 0.001 0.000 0.197 154 D C 2.126 178.424 176.300 -0.004 0.000 0.987 154 D CA 1.216 55.242 54.000 0.042 0.000 0.829 154 D CB 0.193 41.004 40.800 0.019 0.000 0.961 154 D HN 0.327 nan 8.370 nan 0.000 0.460 155 L N 0.682 121.890 121.223 -0.024 0.000 2.083 155 L HA -0.131 4.210 4.340 0.001 0.000 0.209 155 L C 2.452 179.240 176.870 -0.136 0.000 1.083 155 L CA 1.117 55.890 54.840 -0.112 0.000 0.752 155 L CB -0.497 41.531 42.059 -0.052 0.000 0.899 155 L HN -0.102 nan 8.230 nan 0.000 0.433 156 V N -0.380 119.519 119.914 -0.025 0.000 2.343 156 V HA -0.291 3.830 4.120 0.001 0.000 0.247 156 V C 2.751 178.754 176.094 -0.151 0.000 1.051 156 V CA 2.008 64.271 62.300 -0.062 0.000 1.036 156 V CB -0.673 31.111 31.823 -0.065 0.000 0.654 156 V HN 0.479 nan 8.190 nan 0.000 0.451 157 R N 0.005 120.500 120.500 -0.008 0.000 2.081 157 R HA -0.203 4.138 4.340 0.001 0.000 0.235 157 R C 2.565 178.864 176.300 -0.002 0.000 1.131 157 R CA 1.912 58.072 56.100 0.101 0.000 0.960 157 R CB -0.320 30.128 30.300 0.247 0.000 0.856 157 R HN 0.461 nan 8.270 nan 0.000 0.436 158 R N -0.491 119.962 120.500 -0.078 0.000 2.096 158 R HA -0.207 4.134 4.340 0.001 0.000 0.240 158 R C 1.701 177.962 176.300 -0.065 0.000 1.139 158 R CA 2.307 58.332 56.100 -0.126 0.000 0.952 158 R CB -0.368 29.768 30.300 -0.274 0.000 0.854 158 R HN 0.502 nan 8.270 nan 0.000 0.436 159 H N -0.925 118.144 119.070 -0.002 0.000 2.436 159 H HA 0.008 4.565 4.556 0.001 0.000 0.294 159 H C 2.113 177.495 175.328 0.090 0.000 1.048 159 H CA 0.898 56.995 56.048 0.082 0.000 1.353 159 H CB 0.365 30.103 29.762 -0.040 0.000 1.414 159 H HN -0.003 nan 8.280 nan 0.000 0.536 160 V N 0.880 120.815 119.914 0.036 0.000 2.392 160 V HA -0.240 3.881 4.120 0.001 0.000 0.249 160 V C 2.213 178.310 176.094 0.006 0.000 1.059 160 V CA 2.052 64.315 62.300 -0.062 0.000 1.051 160 V CB -0.227 31.410 31.823 -0.310 0.000 0.658 160 V HN 0.395 nan 8.190 nan 0.000 0.455 161 E N -0.159 120.056 120.200 0.024 0.000 2.274 161 E HA -0.166 4.185 4.350 0.001 0.000 0.194 161 E C 2.147 178.757 176.600 0.016 0.000 0.996 161 E CA 0.874 57.290 56.400 0.027 0.000 0.840 161 E CB -0.106 29.612 29.700 0.030 0.000 0.772 161 E HN 0.647 nan 8.360 nan 0.000 0.491 162 Q N -1.307 118.518 119.800 0.041 0.000 2.435 162 Q HA 0.129 4.469 4.340 0.001 0.000 0.207 162 Q C 0.854 176.782 176.000 -0.120 0.000 0.956 162 Q CA 0.595 56.391 55.803 -0.011 0.000 0.917 162 Q CB 0.538 29.319 28.738 0.073 0.000 0.997 162 Q HN 0.403 nan 8.270 nan 0.000 0.497 163 G N -0.367 108.391 108.800 -0.070 0.000 2.144 163 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 163 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 163 G C -0.352 174.470 174.900 -0.131 0.000 0.988 163 G CA -0.541 44.496 45.100 -0.105 0.000 0.659 163 G HN 0.276 nan 8.290 nan 0.000 0.522 164 Y N 0.088 120.364 120.300 -0.041 0.000 2.578 164 Y HA 0.339 4.890 4.550 0.002 0.000 0.339 164 Y C 1.989 177.845 175.900 -0.074 0.000 1.231 164 Y CA 0.684 58.746 58.100 -0.064 0.000 1.461 164 Y CB 0.459 38.862 38.460 -0.094 0.000 1.323 164 Y HN 0.106 nan 8.280 nan 0.000 0.590 165 R N 1.051 121.612 120.500 0.101 0.000 2.397 165 R HA 0.178 4.519 4.340 0.001 0.000 0.241 165 R C 0.047 176.334 176.300 -0.021 0.000 0.914 165 R CA -0.051 56.061 56.100 0.020 0.000 1.071 165 R CB 0.568 30.873 30.300 0.008 0.000 1.116 165 R HN 0.377 nan 8.270 nan 0.000 0.524 166 R N 1.174 121.653 120.500 -0.036 0.000 2.604 166 R HA 0.239 4.580 4.340 0.001 0.000 0.270 166 R C -1.734 174.471 176.300 -0.159 0.000 1.052 166 R CA -0.545 55.479 56.100 -0.126 0.000 0.902 166 R CB 1.387 31.575 30.300 -0.187 0.000 1.233 166 R HN -0.095 nan 8.270 nan 0.000 0.455 167 I N 3.574 124.033 120.570 -0.186 0.000 2.377 167 I HA 0.399 4.570 4.170 0.001 0.000 0.293 167 I C 0.188 176.181 176.117 -0.206 0.000 0.987 167 I CA -0.573 60.610 61.300 -0.195 0.000 1.185 167 I CB 1.387 39.285 38.000 -0.171 0.000 1.341 167 I HN 0.475 nan 8.210 nan 0.000 0.455 168 K N 7.490 127.777 120.400 -0.189 0.000 2.307 168 K HA 0.591 4.911 4.320 0.001 0.000 0.263 168 K C -1.491 175.063 176.600 -0.078 0.000 0.973 168 K CA -0.540 55.661 56.287 -0.143 0.000 0.846 168 K CB 1.231 33.661 32.500 -0.116 0.000 1.100 168 K HN 0.542 nan 8.250 nan 0.000 0.438 169 L N 4.039 125.231 121.223 -0.050 0.000 2.282 169 L HA 0.386 4.727 4.340 0.001 0.000 0.288 169 L C -0.018 176.881 176.870 0.048 0.000 1.033 169 L CA -0.976 53.864 54.840 0.000 0.000 0.807 169 L CB 1.380 43.431 42.059 -0.013 0.000 1.209 169 L HN 0.536 nan 8.230 nan 0.000 0.423 170 K N 4.673 125.124 120.400 0.084 0.000 2.383 170 K HA 0.384 4.705 4.320 0.001 0.000 0.286 170 K C -0.480 176.221 176.600 0.168 0.000 1.051 170 K CA -0.110 56.253 56.287 0.126 0.000 0.974 170 K CB 0.408 32.980 32.500 0.120 0.000 0.968 170 K HN 0.559 nan 8.250 nan 0.000 0.475 171 I N 0.707 121.388 120.570 0.185 0.000 2.910 171 I HA 0.617 4.788 4.170 0.001 0.000 0.310 171 I C -0.995 175.290 176.117 0.279 0.000 1.043 171 I CA -1.005 60.432 61.300 0.229 0.000 1.053 171 I CB 2.015 40.118 38.000 0.172 0.000 1.242 171 I HN 0.656 nan 8.210 nan 0.000 0.452 172 K N 1.984 122.558 120.400 0.289 0.000 2.555 172 K HA 0.652 4.973 4.320 0.001 0.000 0.279 172 K C -3.241 173.423 176.600 0.106 0.000 0.986 172 K CA -1.843 54.526 56.287 0.136 0.000 0.880 172 K CB 1.600 34.151 32.500 0.085 0.000 1.474 172 K HN 0.243 nan 8.250 nan 0.000 0.433 173 P HA 0.025 nan 4.420 nan 0.000 0.265 173 P C 0.582 177.936 177.300 0.090 0.000 1.193 173 P CA 1.556 64.621 63.100 -0.057 0.000 0.765 173 P CB 0.598 32.177 31.700 -0.203 0.000 0.823 174 G N 1.320 110.210 108.800 0.149 0.000 2.267 174 G HA2 -0.230 3.731 3.960 0.001 0.000 0.257 174 G HA3 -0.230 3.731 3.960 0.001 0.000 0.257 174 G C -0.224 174.880 174.900 0.341 0.000 0.998 174 G CA -0.126 45.089 45.100 0.193 0.000 0.620 174 G HN 0.604 nan 8.290 nan 0.000 0.529 175 W N 1.883 123.220 121.300 0.062 0.000 2.162 175 W HA 0.461 5.122 4.660 0.001 0.000 0.292 175 W C -0.012 176.559 176.519 0.087 0.000 0.998 175 W CA 0.311 57.690 57.345 0.057 0.000 1.570 175 W CB 0.556 30.038 29.460 0.037 0.000 1.644 175 W HN 0.358 nan 8.180 nan 0.000 0.360 176 D N -0.849 119.444 120.400 -0.179 0.000 2.900 176 D HA -0.021 4.620 4.640 0.001 0.000 0.175 176 D C 1.540 177.689 176.300 -0.251 0.000 1.476 176 D CA 0.232 54.144 54.000 -0.147 0.000 1.488 176 D CB 0.183 41.023 40.800 0.066 0.000 1.426 176 D HN -0.084 nan 8.370 nan 0.000 0.295 177 V N 0.921 120.736 119.914 -0.166 0.000 2.490 177 V HA -0.240 3.880 4.120 0.001 0.000 0.250 177 V C 2.251 178.157 176.094 -0.313 0.000 1.061 177 V CA 2.118 64.326 62.300 -0.154 0.000 1.064 177 V CB -0.850 30.956 31.823 -0.029 0.000 0.670 177 V HN 0.136 nan 8.190 nan 0.000 0.461 178 Q N 0.398 119.934 119.800 -0.440 0.000 1.990 178 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 178 Q C 0.112 175.754 176.000 -0.597 0.000 0.980 178 Q CA 2.076 57.561 55.803 -0.529 0.000 0.832 178 Q CB -1.775 26.565 28.738 -0.663 0.000 0.897 178 Q HN 0.527 nan 8.270 nan 0.000 0.427 179 P HA -0.121 nan 4.420 nan 0.000 0.217 179 P C 1.237 178.338 177.300 -0.332 0.000 1.150 179 P CA 1.155 63.960 63.100 -0.492 0.000 0.832 179 P CB 0.043 31.449 31.700 -0.490 0.000 0.787 180 V N 0.840 120.531 119.914 -0.372 0.000 2.307 180 V HA -0.197 3.924 4.120 0.001 0.000 0.245 180 V C 3.029 178.792 176.094 -0.553 0.000 1.045 180 V CA 1.916 64.006 62.300 -0.349 0.000 1.024 180 V CB -1.143 30.513 31.823 -0.278 0.000 0.651 180 V HN 0.058 nan 8.190 nan 0.000 0.449 181 R N 0.421 120.458 120.500 -0.772 0.000 2.094 181 R HA -0.234 4.107 4.340 0.001 0.000 0.239 181 R C 2.294 178.350 176.300 -0.407 0.000 1.137 181 R CA 2.094 57.665 56.100 -0.881 0.000 0.943 181 R CB -0.580 29.387 30.300 -0.554 0.000 0.850 181 R HN 0.470 nan 8.270 nan 0.000 0.433 182 A N -0.285 122.371 122.820 -0.275 0.000 1.902 182 A HA -0.144 4.177 4.320 0.001 0.000 0.217 182 A C 2.233 179.765 177.584 -0.087 0.000 1.181 182 A CA 2.085 54.037 52.037 -0.142 0.000 0.623 182 A CB -0.866 18.075 19.000 -0.097 0.000 0.818 182 A HN 0.509 nan 8.150 nan 0.000 0.443 183 T N -0.986 113.516 114.554 -0.086 0.000 2.812 183 T HA -0.092 4.259 4.350 0.001 0.000 0.264 183 T C 2.153 176.896 174.700 0.071 0.000 1.042 183 T CA 1.609 63.729 62.100 0.033 0.000 1.140 183 T CB -0.194 68.672 68.868 -0.002 0.000 0.870 183 T HN 0.455 nan 8.240 nan 0.000 0.445 184 R N 1.466 121.941 120.500 -0.042 0.000 2.115 184 R HA 0.019 4.360 4.340 0.001 0.000 0.230 184 R C 2.110 178.424 176.300 0.024 0.000 1.111 184 R CA 1.533 57.643 56.100 0.017 0.000 0.976 184 R CB -0.508 29.796 30.300 0.008 0.000 0.870 184 R HN 0.446 nan 8.270 nan 0.000 0.445 185 E N -0.819 119.362 120.200 -0.033 0.000 2.051 185 E HA -0.107 4.244 4.350 0.001 0.000 0.192 185 E C 1.612 178.155 176.600 -0.096 0.000 0.991 185 E CA 1.491 57.866 56.400 -0.041 0.000 0.799 185 E CB -0.139 29.526 29.700 -0.057 0.000 0.748 185 E HN 0.456 nan 8.360 nan 0.000 0.449 186 A N -0.526 122.207 122.820 -0.145 0.000 2.119 186 A HA 0.025 4.346 4.320 0.001 0.000 0.216 186 A C 0.394 177.547 177.584 -0.718 0.000 1.152 186 A CA 0.546 52.345 52.037 -0.397 0.000 0.708 186 A CB 0.134 18.889 19.000 -0.409 0.000 0.805 186 A HN 0.225 nan 8.150 nan 0.000 0.460 187 F N -1.309 118.630 119.950 -0.019 0.000 2.872 187 F HA 0.326 4.854 4.527 0.002 0.000 0.365 187 F C -2.180 173.615 175.800 -0.010 0.000 1.296 187 F CA -1.502 56.490 58.000 -0.014 0.000 1.199 187 F CB 1.764 40.753 39.000 -0.017 0.000 1.687 187 F HN -0.002 nan 8.300 nan 0.000 0.604 188 P HA -0.075 nan 4.420 nan 0.000 0.223 188 P C 0.591 177.937 177.300 0.077 0.000 1.151 188 P CA 1.344 64.487 63.100 0.072 0.000 0.787 188 P CB 0.375 32.096 31.700 0.034 0.000 0.788 189 D N -1.155 119.301 120.400 0.093 0.000 2.449 189 D HA 0.110 4.751 4.640 0.001 0.000 0.210 189 D C 1.130 177.459 176.300 0.049 0.000 1.094 189 D CA -0.063 53.975 54.000 0.063 0.000 0.846 189 D CB 0.325 41.159 40.800 0.055 0.000 1.003 189 D HN 0.262 nan 8.370 nan 0.000 0.504 190 I N -0.738 119.870 120.570 0.063 0.000 2.836 190 I HA 0.128 4.299 4.170 0.001 0.000 0.285 190 I C 0.613 176.711 176.117 -0.031 0.000 1.174 190 I CA -0.546 60.754 61.300 0.000 0.000 1.405 190 I CB 0.788 38.752 38.000 -0.061 0.000 1.385 190 I HN -0.360 nan 8.210 nan 0.000 0.594 191 R N 4.335 124.799 120.500 -0.061 0.000 2.345 191 R HA 0.347 4.688 4.340 0.001 0.000 0.331 191 R C -1.213 175.000 176.300 -0.144 0.000 1.067 191 R CA -0.441 55.602 56.100 -0.095 0.000 0.962 191 R CB 0.239 30.480 30.300 -0.097 0.000 0.987 191 R HN 0.657 nan 8.270 nan 0.000 0.451 192 L N 4.336 125.469 121.223 -0.151 0.000 2.346 192 L HA 0.530 4.871 4.340 0.001 0.000 0.276 192 L C -0.637 176.075 176.870 -0.263 0.000 1.006 192 L CA -0.026 54.709 54.840 -0.175 0.000 0.817 192 L CB 2.167 44.164 42.059 -0.103 0.000 1.272 192 L HN 0.782 nan 8.230 nan 0.000 0.421 193 T N 1.729 116.096 114.554 -0.313 0.000 2.865 193 T HA 0.833 5.184 4.350 0.001 0.000 0.294 193 T C -0.633 173.943 174.700 -0.207 0.000 1.119 193 T CA -0.290 61.560 62.100 -0.416 0.000 1.007 193 T CB 1.500 69.877 68.868 -0.818 0.000 1.225 193 T HN 0.861 nan 8.240 nan 0.000 0.515 194 V N -1.420 118.425 119.914 -0.114 0.000 2.914 194 V HA 0.802 4.923 4.120 0.001 0.000 0.314 194 V C -1.467 174.697 176.094 0.117 0.000 1.084 194 V CA -0.903 61.399 62.300 0.004 0.000 0.963 194 V CB 1.953 33.782 31.823 0.009 0.000 1.025 194 V HN 1.012 nan 8.190 nan 0.000 0.432 195 D N 2.454 122.938 120.400 0.141 0.000 2.427 195 D HA 0.667 5.308 4.640 0.001 0.000 0.226 195 D C 0.635 177.057 176.300 0.203 0.000 1.076 195 D CA 0.123 54.242 54.000 0.198 0.000 0.849 195 D CB 1.708 42.621 40.800 0.189 0.000 1.052 195 D HN 0.906 nan 8.370 nan 0.000 0.515 196 A N 4.141 127.098 122.820 0.227 0.000 2.218 196 A HA 0.021 4.342 4.320 0.001 0.000 0.209 196 A C 1.171 178.946 177.584 0.317 0.000 1.168 196 A CA 0.211 52.436 52.037 0.315 0.000 0.804 196 A CB -0.628 18.532 19.000 0.267 0.000 0.834 196 A HN 0.851 nan 8.150 nan 0.000 0.482 197 N N -0.206 118.640 118.700 0.243 0.000 2.716 197 N HA -0.239 4.502 4.740 0.001 0.000 0.250 197 N C -0.065 175.560 175.510 0.192 0.000 1.033 197 N CA 0.637 53.807 53.050 0.201 0.000 0.727 197 N CB -1.107 37.480 38.487 0.167 0.000 0.950 197 N HN 0.340 nan 8.380 nan 0.000 0.541 198 S N -2.859 112.982 115.700 0.235 0.000 3.533 198 S HA -0.233 4.237 4.470 0.001 0.000 0.347 198 S C 0.796 175.497 174.600 0.169 0.000 1.101 198 S CA 0.956 59.292 58.200 0.227 0.000 1.009 198 S CB -1.411 61.927 63.200 0.231 0.000 0.916 198 S HN 0.877 nan 8.310 nan 0.000 0.496 199 A N -1.437 121.475 122.820 0.153 0.000 2.390 199 A HA 0.552 4.873 4.320 0.001 0.000 0.232 199 A C 0.202 177.668 177.584 -0.197 0.000 1.233 199 A CA 0.084 52.101 52.037 -0.034 0.000 0.907 199 A CB 0.294 19.223 19.000 -0.117 0.000 0.967 199 A HN 0.510 nan 8.150 nan 0.000 0.512 200 Y N -0.231 120.109 120.300 0.066 0.000 2.596 200 Y HA 0.590 5.140 4.550 0.001 0.000 0.326 200 Y C 1.019 176.932 175.900 0.021 0.000 1.167 200 Y CA 0.024 58.152 58.100 0.047 0.000 1.246 200 Y CB 1.396 39.887 38.460 0.052 0.000 1.347 200 Y HN 0.146 nan 8.280 nan 0.000 0.515 201 T N -2.982 111.679 114.554 0.179 0.000 2.838 201 T HA 0.381 4.732 4.350 0.001 0.000 0.292 201 T C 0.402 175.143 174.700 0.069 0.000 1.113 201 T CA -0.862 61.286 62.100 0.079 0.000 1.008 201 T CB 0.692 69.588 68.868 0.047 0.000 1.259 201 T HN 0.561 nan 8.240 nan 0.000 0.520 202 L N 0.647 121.882 121.223 0.021 0.000 2.191 202 L HA 0.043 4.384 4.340 0.001 0.000 0.212 202 L C 3.048 179.934 176.870 0.026 0.000 1.103 202 L CA 1.453 56.300 54.840 0.010 0.000 0.769 202 L CB -0.765 41.288 42.059 -0.011 0.000 0.908 202 L HN 0.947 nan 8.230 nan 0.000 0.438 203 A N -0.750 122.091 122.820 0.035 0.000 2.178 203 A HA -0.185 4.136 4.320 0.001 0.000 0.218 203 A C 1.608 179.228 177.584 0.060 0.000 1.157 203 A CA 1.461 53.522 52.037 0.040 0.000 0.689 203 A CB -0.349 18.673 19.000 0.037 0.000 0.787 203 A HN 0.373 nan 8.150 nan 0.000 0.465 204 D N -0.325 120.130 120.400 0.091 0.000 2.339 204 D HA 0.256 4.897 4.640 0.001 0.000 0.217 204 D C 1.901 178.238 176.300 0.062 0.000 1.050 204 D CA 0.762 54.840 54.000 0.129 0.000 0.856 204 D CB 0.123 41.103 40.800 0.299 0.000 0.922 204 D HN 0.436 nan 8.370 nan 0.000 0.518 205 A N 1.155 123.994 122.820 0.033 0.000 1.892 205 A HA -0.129 4.192 4.320 0.001 0.000 0.218 205 A C 2.366 179.951 177.584 0.002 0.000 1.188 205 A CA 2.041 54.081 52.037 0.005 0.000 0.631 205 A CB -1.070 17.933 19.000 0.004 0.000 0.822 205 A HN 0.311 nan 8.150 nan 0.000 0.447 206 G N -0.904 107.904 108.800 0.014 0.000 2.432 206 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 206 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 206 G C 1.705 176.613 174.900 0.014 0.000 1.135 206 G CA 1.335 46.442 45.100 0.012 0.000 0.767 206 G HN 0.521 nan 8.290 nan 0.000 0.550 207 R N 0.317 120.833 120.500 0.028 0.000 2.062 207 R HA 0.208 4.548 4.340 0.001 0.000 0.226 207 R C 2.554 178.854 176.300 -0.001 0.000 1.125 207 R CA 0.851 56.973 56.100 0.036 0.000 0.966 207 R CB -0.831 29.520 30.300 0.084 0.000 0.861 207 R HN 0.365 nan 8.270 nan 0.000 0.433 208 L N 0.231 121.424 121.223 -0.050 0.000 2.079 208 L HA -0.113 4.228 4.340 0.001 0.000 0.210 208 L C 2.663 179.503 176.870 -0.051 0.000 1.081 208 L CA 1.717 56.494 54.840 -0.106 0.000 0.752 208 L CB -0.472 41.481 42.059 -0.177 0.000 0.896 208 L HN 0.239 nan 8.230 nan 0.000 0.433 209 R N 0.325 120.806 120.500 -0.031 0.000 2.159 209 R HA -0.201 4.140 4.340 0.001 0.000 0.237 209 R C 2.197 178.481 176.300 -0.027 0.000 1.131 209 R CA 1.299 57.384 56.100 -0.026 0.000 0.982 209 R CB -0.083 30.205 30.300 -0.020 0.000 0.868 209 R HN 0.459 nan 8.270 nan 0.000 0.453 210 Q N 0.068 119.862 119.800 -0.011 0.000 2.364 210 Q HA -0.117 4.224 4.340 0.001 0.000 0.209 210 Q C 1.851 177.872 176.000 0.035 0.000 0.977 210 Q CA 1.000 56.805 55.803 0.003 0.000 0.885 210 Q CB 0.032 28.792 28.738 0.036 0.000 0.941 210 Q HN 0.437 nan 8.270 nan 0.000 0.464 211 L N 0.318 121.571 121.223 0.050 0.000 2.376 211 L HA -0.137 4.204 4.340 0.001 0.000 0.219 211 L C 1.342 178.233 176.870 0.035 0.000 1.133 211 L CA 0.307 55.221 54.840 0.125 0.000 0.816 211 L CB -0.255 41.837 42.059 0.055 0.000 0.933 211 L HN 0.112 nan 8.230 nan 0.000 0.449 212 D N 0.945 121.312 120.400 -0.055 0.000 2.123 212 D HA -0.230 4.411 4.640 0.001 0.000 0.196 212 D C 1.959 178.162 176.300 -0.161 0.000 0.992 212 D CA 1.551 55.502 54.000 -0.081 0.000 0.833 212 D CB -0.039 40.717 40.800 -0.074 0.000 0.954 212 D HN 0.574 nan 8.370 nan 0.000 0.455 213 E N -0.439 119.561 120.200 -0.333 0.000 2.478 213 E HA -0.164 4.187 4.350 0.001 0.000 0.198 213 E C 0.813 177.087 176.600 -0.543 0.000 1.046 213 E CA 0.608 56.734 56.400 -0.456 0.000 0.870 213 E CB -0.412 28.943 29.700 -0.576 0.000 0.818 213 E HN 0.444 nan 8.360 nan 0.000 0.527 214 Y N 1.286 121.565 120.300 -0.034 0.000 2.468 214 Y HA 0.111 4.662 4.550 0.001 0.000 0.268 214 Y C -0.200 175.677 175.900 -0.037 0.000 1.177 214 Y CA -0.391 57.687 58.100 -0.036 0.000 1.265 214 Y CB 0.299 38.731 38.460 -0.046 0.000 1.103 214 Y HN -0.086 nan 8.280 nan 0.000 0.522 215 D N 1.015 121.433 120.400 0.031 0.000 2.735 215 D HA -0.210 4.431 4.640 0.001 0.000 0.235 215 D C -0.417 175.885 176.300 0.004 0.000 1.175 215 D CA 0.658 54.664 54.000 0.011 0.000 0.683 215 D CB -1.189 39.616 40.800 0.008 0.000 1.008 215 D HN 0.386 nan 8.370 nan 0.000 0.416 216 L N 0.216 121.438 121.223 -0.002 0.000 2.453 216 L HA 0.033 4.374 4.340 0.001 0.000 0.272 216 L C 2.153 178.976 176.870 -0.078 0.000 1.182 216 L CA -0.004 54.801 54.840 -0.059 0.000 0.858 216 L CB 0.489 42.517 42.059 -0.052 0.000 1.120 216 L HN 0.006 nan 8.230 nan 0.000 0.474 217 T N 1.387 115.839 114.554 -0.169 0.000 2.867 217 T HA -0.073 4.278 4.350 0.001 0.000 0.268 217 T C -0.412 174.279 174.700 -0.015 0.000 1.057 217 T CA 1.397 63.419 62.100 -0.131 0.000 1.136 217 T CB -0.169 68.564 68.868 -0.224 0.000 0.874 217 T HN 0.618 nan 8.240 nan 0.000 0.466 218 Y N -2.147 118.150 120.300 -0.005 0.000 2.732 218 Y HA 0.586 5.137 4.550 0.001 0.000 0.342 218 Y C -1.905 174.009 175.900 0.023 0.000 1.203 218 Y CA -2.282 55.831 58.100 0.022 0.000 1.092 218 Y CB 0.385 38.882 38.460 0.062 0.000 1.345 218 Y HN -0.153 nan 8.280 nan 0.000 0.458 219 I N 2.170 122.904 120.570 0.273 0.000 2.339 219 I HA 0.283 4.454 4.170 0.001 0.000 0.290 219 I C -0.233 176.046 176.117 0.270 0.000 0.994 219 I CA -0.596 60.831 61.300 0.211 0.000 1.191 219 I CB 1.625 39.676 38.000 0.084 0.000 1.343 219 I HN 0.622 nan 8.210 nan 0.000 0.458 220 E N 5.805 126.193 120.200 0.313 0.000 2.223 220 E HA 0.055 4.406 4.350 0.001 0.000 0.282 220 E C -0.213 176.490 176.600 0.172 0.000 1.046 220 E CA -0.499 56.051 56.400 0.249 0.000 0.857 220 E CB 0.605 30.514 29.700 0.347 0.000 1.055 220 E HN 0.451 nan 8.360 nan 0.000 0.409 221 Q N 3.806 123.651 119.800 0.074 0.000 2.426 221 Q HA -0.176 4.165 4.340 0.001 0.000 0.359 221 Q C -1.953 174.216 176.000 0.281 0.000 1.381 221 Q CA 0.461 56.314 55.803 0.085 0.000 1.060 221 Q CB -0.126 28.660 28.738 0.080 0.000 1.253 221 Q HN 0.466 nan 8.270 nan 0.000 0.363 222 P HA -0.130 nan 4.420 nan 0.000 0.221 222 P C 0.188 177.684 177.300 0.327 0.000 1.150 222 P CA 1.175 64.466 63.100 0.319 0.000 0.800 222 P CB 0.300 32.093 31.700 0.154 0.000 0.787 223 L N -1.351 120.047 121.223 0.292 0.000 2.693 223 L HA 0.623 4.964 4.340 0.001 0.000 0.253 223 L C 0.783 177.717 176.870 0.106 0.000 1.155 223 L CA -1.658 53.184 54.840 0.003 0.000 1.026 223 L CB -0.445 41.361 42.059 -0.422 0.000 1.817 223 L HN -0.286 nan 8.230 nan 0.000 0.556 224 A N 0.508 123.323 122.820 -0.009 0.000 2.561 224 A HA -0.067 4.253 4.320 0.001 0.000 0.234 224 A C 0.859 178.487 177.584 0.072 0.000 1.055 224 A CA 0.059 52.116 52.037 0.033 0.000 0.756 224 A CB -0.239 18.700 19.000 -0.102 0.000 0.986 224 A HN 0.877 nan 8.150 nan 0.000 0.505 225 W N 2.392 123.720 121.300 0.047 0.000 2.392 225 W HA -0.123 4.538 4.660 0.002 0.000 0.279 225 W C -0.120 176.395 176.519 -0.007 0.000 1.225 225 W CA 1.297 58.648 57.345 0.008 0.000 1.233 225 W CB -0.508 28.911 29.460 -0.068 0.000 1.122 225 W HN 0.753 nan 8.180 nan 0.000 0.561 226 D N -0.306 119.518 120.400 -0.960 0.000 2.462 226 D HA 0.028 4.669 4.640 0.001 0.000 0.221 226 D C -0.226 175.820 176.300 -0.424 0.000 1.173 226 D CA -0.207 53.249 54.000 -0.907 0.000 0.831 226 D CB -0.648 39.234 40.800 -1.530 0.000 1.001 226 D HN 0.091 nan 8.370 nan 0.000 0.499 227 D N 0.581 120.852 120.400 -0.215 0.000 2.181 227 D HA 0.227 4.868 4.640 0.001 0.000 0.248 227 D C 0.518 176.867 176.300 0.082 0.000 1.020 227 D CA -0.550 53.400 54.000 -0.083 0.000 0.891 227 D CB 2.071 42.813 40.800 -0.095 0.000 1.187 227 D HN 0.005 nan 8.370 nan 0.000 0.443 228 L N 2.481 123.719 121.223 0.025 0.000 2.624 228 L HA 0.052 4.392 4.340 0.001 0.000 0.222 228 L C 2.258 179.154 176.870 0.044 0.000 1.046 228 L CA -0.073 54.800 54.840 0.053 0.000 0.872 228 L CB 0.143 42.189 42.059 -0.020 0.000 1.190 228 L HN 0.289 nan 8.230 nan 0.000 0.487 229 V N 0.503 120.411 119.914 -0.009 0.000 2.358 229 V HA -0.245 3.876 4.120 0.001 0.000 0.246 229 V C 1.934 178.011 176.094 -0.028 0.000 1.047 229 V CA 2.001 64.289 62.300 -0.021 0.000 1.035 229 V CB -0.309 31.493 31.823 -0.035 0.000 0.658 229 V HN 0.399 nan 8.190 nan 0.000 0.452 230 D N -1.577 118.782 120.400 -0.068 0.000 2.183 230 D HA -0.119 4.522 4.640 0.001 0.000 0.203 230 D C 2.086 178.318 176.300 -0.114 0.000 0.969 230 D CA 0.924 54.859 54.000 -0.108 0.000 0.842 230 D CB -0.272 40.431 40.800 -0.163 0.000 0.957 230 D HN 0.488 nan 8.370 nan 0.000 0.484 231 H N 0.861 119.915 119.070 -0.028 0.000 2.321 231 H HA 0.002 4.559 4.556 0.002 0.000 0.300 231 H C 2.136 177.449 175.328 -0.024 0.000 1.087 231 H CA 1.305 57.339 56.048 -0.022 0.000 1.319 231 H CB -0.227 29.518 29.762 -0.029 0.000 1.379 231 H HN 0.083 nan 8.280 nan 0.000 0.501 232 A N 1.253 124.125 122.820 0.087 0.000 1.903 232 A HA -0.298 4.023 4.320 0.001 0.000 0.219 232 A C 2.415 180.010 177.584 0.019 0.000 1.191 232 A CA 2.371 54.429 52.037 0.034 0.000 0.638 232 A CB -0.558 18.448 19.000 0.011 0.000 0.823 232 A HN 0.537 nan 8.150 nan 0.000 0.451 233 E N -0.497 119.706 120.200 0.005 0.000 2.106 233 E HA -0.163 4.188 4.350 0.001 0.000 0.192 233 E C 1.778 178.378 176.600 0.001 0.000 0.984 233 E CA 1.375 57.773 56.400 -0.003 0.000 0.806 233 E CB -0.371 29.319 29.700 -0.016 0.000 0.750 233 E HN 0.449 nan 8.360 nan 0.000 0.458 234 L N 0.511 121.736 121.223 0.004 0.000 2.093 234 L HA 0.065 4.406 4.340 0.001 0.000 0.208 234 L C 2.260 179.142 176.870 0.021 0.000 1.085 234 L CA 2.092 56.938 54.840 0.010 0.000 0.755 234 L CB -0.889 41.178 42.059 0.014 0.000 0.904 234 L HN 0.219 nan 8.230 nan 0.000 0.435 235 A N -0.465 122.375 122.820 0.034 0.000 2.024 235 A HA -0.206 4.114 4.320 0.001 0.000 0.220 235 A C 2.402 179.995 177.584 0.015 0.000 1.164 235 A CA 1.670 53.724 52.037 0.027 0.000 0.643 235 A CB -0.577 18.440 19.000 0.028 0.000 0.806 235 A HN 0.537 nan 8.150 nan 0.000 0.451 236 R N -0.996 119.510 120.500 0.010 0.000 2.193 236 R HA 0.049 4.390 4.340 0.001 0.000 0.213 236 R C 1.841 178.142 176.300 0.003 0.000 1.055 236 R CA 0.864 56.968 56.100 0.006 0.000 0.995 236 R CB -0.039 30.263 30.300 0.004 0.000 0.893 236 R HN 0.455 nan 8.270 nan 0.000 0.459 237 R N 0.271 120.772 120.500 0.002 0.000 2.308 237 R HA 0.210 4.551 4.340 0.001 0.000 0.202 237 R C 0.914 177.211 176.300 -0.004 0.000 0.898 237 R CA 0.333 56.432 56.100 -0.002 0.000 1.046 237 R CB 0.378 30.677 30.300 -0.002 0.000 1.026 237 R HN 0.213 nan 8.270 nan 0.000 0.512 238 I N -3.322 117.247 120.570 -0.003 0.000 3.042 238 I HA 0.393 4.564 4.170 0.001 0.000 0.310 238 I C 0.424 176.539 176.117 -0.003 0.000 1.117 238 I CA -1.126 60.169 61.300 -0.007 0.000 1.003 238 I CB 2.494 40.487 38.000 -0.012 0.000 1.228 238 I HN -0.288 nan 8.210 nan 0.000 0.443 239 R N 0.548 121.044 120.500 -0.007 0.000 2.237 239 R HA 0.189 4.530 4.340 0.001 0.000 0.195 239 R C 0.081 176.384 176.300 0.005 0.000 0.956 239 R CA 0.225 56.322 56.100 -0.003 0.000 1.029 239 R CB 0.208 30.500 30.300 -0.013 0.000 0.972 239 R HN 0.697 nan 8.270 nan 0.000 0.493 240 T N 3.802 118.359 114.554 0.005 0.000 2.867 240 T HA 0.091 4.442 4.350 0.001 0.000 0.297 240 T C -2.359 172.366 174.700 0.043 0.000 0.989 240 T CA -0.895 61.218 62.100 0.020 0.000 1.159 240 T CB 0.933 69.810 68.868 0.015 0.000 0.928 240 T HN -0.064 nan 8.240 nan 0.000 0.538 241 P HA 0.139 nan 4.420 nan 0.000 0.266 241 P C -0.385 176.982 177.300 0.111 0.000 1.195 241 P CA -0.130 63.020 63.100 0.083 0.000 0.768 241 P CB 0.429 32.195 31.700 0.109 0.000 0.838 242 L N 2.431 123.696 121.223 0.071 0.000 2.343 242 L HA 0.462 4.803 4.340 0.001 0.000 0.275 242 L C 0.265 177.137 176.870 0.002 0.000 1.056 242 L CA -0.636 54.236 54.840 0.055 0.000 0.804 242 L CB 1.474 43.547 42.059 0.023 0.000 1.203 242 L HN 0.433 nan 8.230 nan 0.000 0.440 243 C N 4.441 123.728 119.300 -0.022 0.000 2.345 243 C HA 0.611 5.072 4.460 0.001 0.000 0.323 243 C C -0.319 174.572 174.990 -0.164 0.000 1.276 243 C CA -0.681 58.249 59.018 -0.145 0.000 1.543 243 C CB 0.567 28.122 27.740 -0.308 0.000 2.211 243 C HN 0.530 nan 8.230 nan 0.000 0.493 244 L N 5.378 126.472 121.223 -0.215 0.000 2.325 244 L HA 0.507 4.848 4.340 0.001 0.000 0.279 244 L C 0.616 177.371 176.870 -0.191 0.000 1.054 244 L CA 0.651 55.351 54.840 -0.234 0.000 0.804 244 L CB 1.325 43.243 42.059 -0.236 0.000 1.200 244 L HN 0.860 nan 8.230 nan 0.000 0.436 245 D N 0.583 120.909 120.400 -0.124 0.000 3.040 245 D HA 0.011 4.652 4.640 0.001 0.000 0.221 245 D C 1.168 177.461 176.300 -0.012 0.000 1.515 245 D CA 0.373 54.335 54.000 -0.064 0.000 1.379 245 D CB 0.455 41.271 40.800 0.028 0.000 0.992 245 D HN 0.481 nan 8.370 nan 0.000 0.234 246 E N 0.142 120.362 120.200 0.032 0.000 2.274 246 E HA -0.036 4.315 4.350 0.001 0.000 0.194 246 E C 1.740 178.382 176.600 0.070 0.000 0.996 246 E CA 1.084 57.516 56.400 0.053 0.000 0.840 246 E CB -0.004 29.757 29.700 0.102 0.000 0.772 246 E HN 0.265 nan 8.360 nan 0.000 0.491 247 S N -0.550 115.150 115.700 0.000 0.000 2.603 247 S HA 0.070 4.541 4.470 0.001 0.000 0.220 247 S C 0.596 175.158 174.600 -0.063 0.000 0.967 247 S CA -0.320 57.846 58.200 -0.056 0.000 0.920 247 S CB 0.294 63.445 63.200 -0.081 0.000 0.773 247 S HN -0.063 nan 8.310 nan 0.000 0.529 248 V N 2.000 121.879 119.914 -0.058 0.000 2.275 248 V HA 0.714 4.835 4.120 0.001 0.000 0.272 248 V C 0.555 176.632 176.094 -0.030 0.000 1.028 248 V CA -0.031 62.231 62.300 -0.063 0.000 0.810 248 V CB 0.462 32.223 31.823 -0.103 0.000 1.043 248 V HN 0.459 nan 8.190 nan 0.000 0.453 249 A N 3.785 126.599 122.820 -0.011 0.000 2.538 249 A HA 0.697 5.018 4.320 0.001 0.000 0.269 249 A C 0.596 178.186 177.584 0.011 0.000 1.231 249 A CA 0.491 52.536 52.037 0.014 0.000 0.948 249 A CB 0.249 19.271 19.000 0.037 0.000 1.110 249 A HN 0.961 nan 8.150 nan 0.000 0.529 250 S N -3.305 112.394 115.700 -0.003 0.000 2.615 250 S HA 0.583 5.053 4.470 0.001 0.000 0.268 250 S C 0.787 175.385 174.600 -0.003 0.000 1.146 250 S CA 0.097 58.300 58.200 0.005 0.000 0.818 250 S CB 0.723 63.929 63.200 0.011 0.000 1.111 250 S HN 1.123 nan 8.310 nan 0.000 0.465 251 A N 1.658 124.485 122.820 0.011 0.000 1.940 251 A HA -0.003 4.318 4.320 0.001 0.000 0.219 251 A C 2.351 179.941 177.584 0.010 0.000 1.176 251 A CA 2.511 54.556 52.037 0.014 0.000 0.631 251 A CB -1.545 17.474 19.000 0.032 0.000 0.814 251 A HN 1.725 nan 8.150 nan 0.000 0.446 252 S N -0.176 115.530 115.700 0.010 0.000 2.406 252 S HA -0.140 4.331 4.470 0.001 0.000 0.228 252 S C 1.383 175.976 174.600 -0.012 0.000 1.020 252 S CA 1.266 59.472 58.200 0.009 0.000 0.965 252 S CB -0.449 62.758 63.200 0.011 0.000 0.798 252 S HN 0.465 nan 8.310 nan 0.000 0.488 253 D N 2.492 122.879 120.400 -0.023 0.000 2.144 253 D HA 0.056 4.696 4.640 0.001 0.000 0.199 253 D C 2.230 178.486 176.300 -0.073 0.000 0.984 253 D CA 1.437 55.410 54.000 -0.045 0.000 0.834 253 D CB -0.629 40.145 40.800 -0.044 0.000 0.955 253 D HN 0.567 nan 8.370 nan 0.000 0.465 254 A N 1.015 123.792 122.820 -0.071 0.000 1.873 254 A HA -0.165 4.156 4.320 0.001 0.000 0.215 254 A C 2.180 179.666 177.584 -0.164 0.000 1.186 254 A CA 1.278 53.244 52.037 -0.117 0.000 0.616 254 A CB -0.381 18.564 19.000 -0.092 0.000 0.823 254 A HN 0.035 nan 8.150 nan 0.000 0.442 255 R N 0.460 120.914 120.500 -0.075 0.000 2.096 255 R HA -0.173 4.168 4.340 0.001 0.000 0.240 255 R C 1.938 178.179 176.300 -0.098 0.000 1.139 255 R CA 2.254 58.336 56.100 -0.030 0.000 0.952 255 R CB -0.529 29.834 30.300 0.104 0.000 0.854 255 R HN 0.573 nan 8.270 nan 0.000 0.436 256 K N -0.153 120.208 120.400 -0.064 0.000 2.032 256 K HA -0.102 4.219 4.320 0.001 0.000 0.209 256 K C 2.177 178.710 176.600 -0.111 0.000 1.048 256 K CA 1.678 57.929 56.287 -0.061 0.000 0.927 256 K CB -0.234 32.240 32.500 -0.044 0.000 0.712 256 K HN 0.275 nan 8.250 nan 0.000 0.441 257 A N 1.179 123.911 122.820 -0.147 0.000 1.877 257 A HA -0.147 4.174 4.320 0.001 0.000 0.216 257 A C 2.119 179.557 177.584 -0.242 0.000 1.186 257 A CA 1.380 53.318 52.037 -0.166 0.000 0.620 257 A CB -0.628 18.271 19.000 -0.169 0.000 0.822 257 A HN 0.164 nan 8.150 nan 0.000 0.443 258 L N -0.952 120.013 121.223 -0.430 0.000 2.072 258 L HA -0.094 4.247 4.340 0.001 0.000 0.205 258 L C 3.045 179.623 176.870 -0.488 0.000 1.079 258 L CA 0.938 55.388 54.840 -0.649 0.000 0.752 258 L CB -0.537 40.725 42.059 -1.328 0.000 0.906 258 L HN 0.396 nan 8.230 nan 0.000 0.436 259 A N 0.012 122.613 122.820 -0.366 0.000 1.972 259 A HA -0.126 4.195 4.320 0.001 0.000 0.219 259 A C 2.219 179.802 177.584 -0.002 0.000 1.169 259 A CA 1.307 53.352 52.037 0.013 0.000 0.635 259 A CB -0.631 18.450 19.000 0.135 0.000 0.810 259 A HN 0.377 nan 8.150 nan 0.000 0.446 260 L N -1.116 120.077 121.223 -0.050 0.000 2.478 260 L HA 0.080 4.421 4.340 0.001 0.000 0.223 260 L C 1.630 178.484 176.870 -0.026 0.000 1.140 260 L CA 0.548 55.371 54.840 -0.028 0.000 0.842 260 L CB -0.417 41.621 42.059 -0.034 0.000 0.953 260 L HN 0.603 nan 8.230 nan 0.000 0.452 261 G N -0.063 108.708 108.800 -0.049 0.000 2.246 261 G HA2 -0.321 3.639 3.960 0.001 0.000 0.273 261 G HA3 -0.321 3.639 3.960 0.001 0.000 0.273 261 G C 0.883 175.765 174.900 -0.030 0.000 1.055 261 G CA 0.401 45.479 45.100 -0.037 0.000 0.851 261 G HN 0.462 nan 8.290 nan 0.000 0.500 262 A N -1.128 121.663 122.820 -0.048 0.000 2.067 262 A HA 0.627 4.948 4.320 0.001 0.000 0.217 262 A C 1.605 179.163 177.584 -0.044 0.000 1.156 262 A CA 1.767 53.795 52.037 -0.015 0.000 0.683 262 A CB 0.233 19.221 19.000 -0.020 0.000 0.808 262 A HN 2.146 nan 8.150 nan 0.000 0.455 263 G N -3.725 105.024 108.800 -0.084 0.000 2.623 263 G HA2 0.449 4.410 3.960 0.001 0.000 0.290 263 G HA3 0.449 4.410 3.960 0.001 0.000 0.290 263 G C 0.163 175.012 174.900 -0.085 0.000 1.437 263 G CA 0.220 45.270 45.100 -0.084 0.000 0.798 263 G HN 0.613 nan 8.290 nan 0.000 0.488 264 G N -1.343 107.426 108.800 -0.052 0.000 3.228 264 G HA2 0.479 4.440 3.960 0.001 0.000 0.245 264 G HA3 0.479 4.440 3.960 0.001 0.000 0.245 264 G C -0.332 174.547 174.900 -0.035 0.000 1.051 264 G CA 0.277 45.355 45.100 -0.036 0.000 0.809 264 G HN 0.910 nan 8.290 nan 0.000 0.531 265 V N 0.803 120.674 119.914 -0.071 0.000 2.971 265 V HA 0.521 4.641 4.120 0.001 0.000 0.309 265 V C -1.099 174.889 176.094 -0.177 0.000 1.130 265 V CA -0.795 61.453 62.300 -0.086 0.000 0.964 265 V CB 2.455 34.222 31.823 -0.094 0.000 1.029 265 V HN 0.091 nan 8.190 nan 0.000 0.427 266 I N 2.974 123.412 120.570 -0.220 0.000 2.447 266 I HA 0.368 4.539 4.170 0.001 0.000 0.287 266 I C -0.362 175.396 176.117 -0.598 0.000 1.023 266 I CA -0.580 60.524 61.300 -0.327 0.000 1.083 266 I CB 1.947 39.788 38.000 -0.266 0.000 1.245 266 I HN 0.609 nan 8.210 nan 0.000 0.434 267 N N 7.002 125.249 118.700 -0.755 0.000 2.406 267 N HA 0.080 4.821 4.740 0.001 0.000 0.265 267 N C -1.187 173.924 175.510 -0.663 0.000 1.203 267 N CA -0.151 52.162 53.050 -1.229 0.000 0.945 267 N CB 0.710 38.604 38.487 -0.989 0.000 1.165 267 N HN 0.395 nan 8.380 nan 0.000 0.485 268 L N 4.305 125.192 121.223 -0.560 0.000 2.262 268 L HA 0.423 4.764 4.340 0.001 0.000 0.288 268 L C -0.431 176.368 176.870 -0.119 0.000 1.035 268 L CA -0.181 54.514 54.840 -0.241 0.000 0.820 268 L CB 0.370 42.327 42.059 -0.170 0.000 1.204 268 L HN 0.379 nan 8.230 nan 0.000 0.424 269 K N 4.343 124.689 120.400 -0.090 0.000 2.339 269 K HA 0.245 4.565 4.320 0.001 0.000 0.264 269 K C 0.562 177.143 176.600 -0.032 0.000 0.986 269 K CA -0.476 55.779 56.287 -0.052 0.000 0.866 269 K CB 2.481 34.950 32.500 -0.051 0.000 1.103 269 K HN 0.505 nan 8.250 nan 0.000 0.441 270 V N 3.089 122.978 119.914 -0.042 0.000 2.343 270 V HA -0.241 3.880 4.120 0.001 0.000 0.247 270 V C 1.818 177.848 176.094 -0.106 0.000 1.051 270 V CA 2.656 64.905 62.300 -0.085 0.000 1.036 270 V CB -0.109 31.619 31.823 -0.159 0.000 0.654 270 V HN 0.925 nan 8.190 nan 0.000 0.451 271 A N -0.145 122.618 122.820 -0.094 0.000 1.968 271 A HA -0.132 4.189 4.320 0.001 0.000 0.217 271 A C 2.387 179.964 177.584 -0.011 0.000 1.169 271 A CA 1.476 53.471 52.037 -0.071 0.000 0.638 271 A CB -0.647 18.310 19.000 -0.072 0.000 0.812 271 A HN 0.568 nan 8.150 nan 0.000 0.446 272 R N 0.232 120.744 120.500 0.020 0.000 2.105 272 R HA -0.129 4.212 4.340 0.001 0.000 0.239 272 R C 1.759 178.088 176.300 0.047 0.000 1.135 272 R CA 2.022 58.166 56.100 0.074 0.000 0.967 272 R CB -0.301 30.073 30.300 0.123 0.000 0.861 272 R HN 0.534 nan 8.270 nan 0.000 0.442 273 V N -3.523 116.401 119.914 0.018 0.000 3.649 273 V HA 0.391 4.511 4.120 0.001 0.000 0.275 273 V C 0.920 177.023 176.094 0.014 0.000 1.281 273 V CA 0.816 63.126 62.300 0.015 0.000 1.143 273 V CB 0.485 32.312 31.823 0.006 0.000 0.892 273 V HN 0.457 nan 8.190 nan 0.000 0.441 274 G N -1.613 107.188 108.800 0.002 0.000 2.184 274 G HA2 0.330 4.291 3.960 0.001 0.000 0.206 274 G HA3 0.330 4.291 3.960 0.001 0.000 0.206 274 G C 0.991 175.883 174.900 -0.012 0.000 0.995 274 G CA -0.025 45.076 45.100 0.001 0.000 0.651 274 G HN 2.212 nan 8.290 nan 0.000 0.511 275 G N -1.549 107.222 108.800 -0.047 0.000 2.331 275 G HA2 0.217 4.178 3.960 0.001 0.000 0.479 275 G HA3 0.217 4.178 3.960 0.001 0.000 0.479 275 G C 0.247 175.088 174.900 -0.099 0.000 1.262 275 G CA 0.452 45.487 45.100 -0.108 0.000 1.029 275 G HN 0.542 nan 8.290 nan 0.000 0.487 276 H N -0.037 119.042 119.070 0.015 0.000 2.357 276 H HA 0.041 4.598 4.556 0.002 0.000 0.301 276 H C 3.109 178.386 175.328 -0.086 0.000 1.082 276 H CA 2.402 58.357 56.048 -0.156 0.000 1.342 276 H CB -0.562 28.854 29.762 -0.577 0.000 1.389 276 H HN 0.733 nan 8.280 nan 0.000 0.511 277 A N 1.143 124.106 122.820 0.239 0.000 1.883 277 A HA -0.225 4.096 4.320 0.001 0.000 0.217 277 A C 2.383 180.061 177.584 0.156 0.000 1.186 277 A CA 2.085 54.281 52.037 0.266 0.000 0.624 277 A CB -0.391 18.847 19.000 0.397 0.000 0.822 277 A HN 0.389 nan 8.150 nan 0.000 0.444 278 E N -0.126 120.148 120.200 0.124 0.000 2.152 278 E HA -0.061 4.290 4.350 0.001 0.000 0.192 278 E C 2.107 178.750 176.600 0.073 0.000 0.983 278 E CA 1.267 57.718 56.400 0.084 0.000 0.818 278 E CB -0.200 29.535 29.700 0.059 0.000 0.758 278 E HN 0.481 nan 8.360 nan 0.000 0.467 279 S N 0.057 115.798 115.700 0.069 0.000 2.368 279 S HA -0.160 4.311 4.470 0.001 0.000 0.225 279 S C 1.882 176.560 174.600 0.130 0.000 1.030 279 S CA 1.273 59.522 58.200 0.081 0.000 0.999 279 S CB -0.289 62.961 63.200 0.083 0.000 0.844 279 S HN 0.296 nan 8.310 nan 0.000 0.459 280 R N 1.052 121.630 120.500 0.130 0.000 2.120 280 R HA 0.009 4.350 4.340 0.001 0.000 0.234 280 R C 2.320 178.734 176.300 0.190 0.000 1.123 280 R CA 1.064 57.272 56.100 0.180 0.000 0.975 280 R CB -0.050 30.324 30.300 0.123 0.000 0.866 280 R HN 0.284 nan 8.270 nan 0.000 0.446 281 R N -0.351 120.225 120.500 0.127 0.000 2.075 281 R HA -0.060 4.280 4.340 0.001 0.000 0.232 281 R C 2.274 178.615 176.300 0.068 0.000 1.126 281 R CA 1.434 57.590 56.100 0.093 0.000 0.963 281 R CB -0.267 30.080 30.300 0.078 0.000 0.858 281 R HN 0.073 nan 8.270 nan 0.000 0.435 282 V N 0.495 120.445 119.914 0.061 0.000 2.343 282 V HA -0.289 3.832 4.120 0.001 0.000 0.247 282 V C 2.259 178.358 176.094 0.009 0.000 1.051 282 V CA 2.296 64.607 62.300 0.018 0.000 1.036 282 V CB -0.666 31.152 31.823 -0.008 0.000 0.654 282 V HN 0.432 nan 8.190 nan 0.000 0.451 283 H N 0.584 119.619 119.070 -0.058 0.000 2.352 283 H HA -0.182 4.375 4.556 0.002 0.000 0.299 283 H C 1.961 177.268 175.328 -0.036 0.000 1.097 283 H CA 2.287 58.273 56.048 -0.104 0.000 1.311 283 H CB -0.204 29.526 29.762 -0.053 0.000 1.377 283 H HN 0.408 nan 8.280 nan 0.000 0.504 284 D N -0.187 120.117 120.400 -0.160 0.000 2.149 284 D HA -0.099 4.542 4.640 0.001 0.000 0.201 284 D C 2.473 178.728 176.300 -0.075 0.000 0.972 284 D CA 1.111 55.004 54.000 -0.178 0.000 0.835 284 D CB -0.267 40.515 40.800 -0.030 0.000 0.966 284 D HN 0.319 nan 8.370 nan 0.000 0.476 285 V N 1.600 121.514 119.914 -0.001 0.000 2.343 285 V HA -0.238 3.882 4.120 0.001 0.000 0.247 285 V C 2.545 178.739 176.094 0.167 0.000 1.051 285 V CA 1.841 64.198 62.300 0.093 0.000 1.036 285 V CB -0.732 31.150 31.823 0.100 0.000 0.654 285 V HN 0.172 nan 8.190 nan 0.000 0.451 286 A N -0.365 122.476 122.820 0.035 0.000 1.877 286 A HA -0.310 4.011 4.320 0.001 0.000 0.216 286 A C 2.188 179.794 177.584 0.036 0.000 1.186 286 A CA 2.206 54.252 52.037 0.015 0.000 0.620 286 A CB -0.628 18.316 19.000 -0.093 0.000 0.822 286 A HN 0.553 nan 8.150 nan 0.000 0.443 287 Q N 0.972 120.722 119.800 -0.083 0.000 2.135 287 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 287 Q C 2.101 178.089 176.000 -0.020 0.000 0.981 287 Q CA 2.702 58.453 55.803 -0.087 0.000 0.856 287 Q CB -0.568 28.044 28.738 -0.211 0.000 0.902 287 Q HN 0.741 nan 8.270 nan 0.000 0.425 288 S N -1.260 114.432 115.700 -0.013 0.000 2.442 288 S HA -0.108 4.362 4.470 0.001 0.000 0.236 288 S C 1.365 175.885 174.600 -0.133 0.000 1.007 288 S CA 0.902 59.058 58.200 -0.073 0.000 0.965 288 S CB -0.537 62.600 63.200 -0.105 0.000 0.773 288 S HN 0.431 nan 8.310 nan 0.000 0.504 289 F N 1.987 121.908 119.950 -0.048 0.000 2.765 289 F HA 0.394 4.921 4.527 0.001 0.000 0.302 289 F C 1.915 177.696 175.800 -0.032 0.000 1.111 289 F CA 0.053 58.032 58.000 -0.037 0.000 1.359 289 F CB -0.207 38.770 39.000 -0.039 0.000 1.097 289 F HN 0.375 nan 8.300 nan 0.000 0.577 290 G N 0.978 109.844 108.800 0.110 0.000 2.203 290 G HA2 -0.187 3.774 3.960 0.001 0.000 0.263 290 G HA3 -0.187 3.774 3.960 0.001 0.000 0.263 290 G C 0.211 175.150 174.900 0.065 0.000 1.012 290 G CA 0.144 45.283 45.100 0.065 0.000 0.749 290 G HN 0.651 nan 8.290 nan 0.000 0.512 291 A N 0.564 123.425 122.820 0.068 0.000 2.301 291 A HA 0.863 5.184 4.320 0.001 0.000 0.312 291 A C -1.489 176.094 177.584 -0.002 0.000 1.182 291 A CA -1.349 50.703 52.037 0.026 0.000 0.826 291 A CB 1.630 20.622 19.000 -0.014 0.000 1.134 291 A HN 0.213 nan 8.150 nan 0.000 0.501 292 P HA 0.438 nan 4.420 nan 0.000 0.279 292 P C -0.308 176.976 177.300 -0.027 0.000 1.252 292 P CA -0.172 62.937 63.100 0.016 0.000 0.811 292 P CB 1.391 33.139 31.700 0.081 0.000 1.035 293 V N -1.736 118.119 119.914 -0.098 0.000 3.103 293 V HA 0.850 4.971 4.120 0.001 0.000 0.318 293 V C -0.877 175.203 176.094 -0.022 0.000 1.114 293 V CA -0.864 61.304 62.300 -0.220 0.000 1.020 293 V CB 2.211 33.730 31.823 -0.506 0.000 1.085 293 V HN 0.812 nan 8.190 nan 0.000 0.446 294 W N -0.556 120.670 121.300 -0.123 0.000 3.118 294 W HA 0.611 5.272 4.660 0.001 0.000 0.328 294 W C -1.278 175.401 176.519 0.267 0.000 1.239 294 W CA -1.391 56.043 57.345 0.148 0.000 1.176 294 W CB 1.060 30.599 29.460 0.132 0.000 1.433 294 W HN 0.854 nan 8.180 nan 0.000 0.562 295 C N 3.187 122.885 119.300 0.663 0.000 2.442 295 C HA 0.624 5.085 4.460 0.001 0.000 0.362 295 C C 1.160 176.316 174.990 0.275 0.000 1.242 295 C CA 0.678 59.931 59.018 0.392 0.000 1.741 295 C CB -1.197 26.677 27.740 0.224 0.000 2.378 295 C HN 0.757 nan 8.230 nan 0.000 0.549 296 G N 4.210 113.000 108.800 -0.016 0.000 2.537 296 G HA2 0.611 4.572 3.960 0.001 0.000 0.273 296 G HA3 0.611 4.572 3.960 0.001 0.000 0.273 296 G C 0.021 174.941 174.900 0.033 0.000 1.189 296 G CA 0.099 45.188 45.100 -0.018 0.000 0.881 296 G HN 1.149 nan 8.290 nan 0.000 0.535 297 G N -1.209 107.613 108.800 0.037 0.000 2.569 297 G HA2 0.542 4.503 3.960 0.001 0.000 0.300 297 G HA3 0.542 4.503 3.960 0.001 0.000 0.300 297 G C -0.610 174.221 174.900 -0.115 0.000 1.269 297 G CA -0.783 44.300 45.100 -0.029 0.000 0.959 297 G HN 0.595 nan 8.290 nan 0.000 0.478 298 M N 1.947 121.457 119.600 -0.149 0.000 4.125 298 M HA 0.361 4.842 4.480 0.001 0.000 0.476 298 M C 0.167 176.373 176.300 -0.156 0.000 1.980 298 M CA -0.304 54.882 55.300 -0.189 0.000 0.547 298 M CB -0.123 32.329 32.600 -0.248 0.000 1.434 298 M HN 0.547 nan 8.290 nan 0.000 0.548 299 L N 1.327 122.405 121.223 -0.242 0.000 3.634 299 L HA -0.244 4.097 4.340 0.001 0.000 0.423 299 L C -0.748 176.095 176.870 -0.046 0.000 1.253 299 L CA 0.522 55.172 54.840 -0.317 0.000 0.885 299 L CB -0.794 41.153 42.059 -0.188 0.000 1.789 299 L HN 0.559 nan 8.230 nan 0.000 0.904 300 E N -0.013 120.166 120.200 -0.035 0.000 2.343 300 E HA 0.345 4.696 4.350 0.001 0.000 0.269 300 E C 0.656 177.458 176.600 0.336 0.000 1.047 300 E CA 0.475 56.949 56.400 0.122 0.000 0.874 300 E CB 0.906 30.633 29.700 0.046 0.000 1.033 300 E HN 0.410 nan 8.360 nan 0.000 0.409 301 S N 0.889 116.712 115.700 0.205 0.000 2.634 301 S HA 0.153 4.624 4.470 0.001 0.000 0.254 301 S C 1.473 176.122 174.600 0.082 0.000 1.299 301 S CA -0.253 57.952 58.200 0.008 0.000 0.974 301 S CB 0.756 63.809 63.200 -0.246 0.000 1.001 301 S HN 0.619 nan 8.310 nan 0.000 0.584 302 G N 0.043 108.860 108.800 0.028 0.000 2.448 302 G HA2 -0.091 3.869 3.960 0.001 0.000 0.219 302 G HA3 -0.091 3.869 3.960 0.001 0.000 0.219 302 G C 1.257 176.205 174.900 0.079 0.000 1.127 302 G CA 0.737 45.880 45.100 0.073 0.000 0.766 302 G HN 0.586 nan 8.290 nan 0.000 0.552 303 I N 1.865 122.475 120.570 0.067 0.000 2.076 303 I HA -0.131 4.040 4.170 0.001 0.000 0.237 303 I C 3.049 179.297 176.117 0.219 0.000 1.059 303 I CA 1.685 63.060 61.300 0.125 0.000 1.317 303 I CB -1.587 36.468 38.000 0.091 0.000 1.037 303 I HN 0.230 nan 8.210 nan 0.000 0.398 304 G N 0.161 109.046 108.800 0.142 0.000 2.418 304 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 304 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 304 G C 1.918 176.903 174.900 0.142 0.000 1.158 304 G CA 0.801 45.976 45.100 0.125 0.000 0.771 304 G HN 0.310 nan 8.290 nan 0.000 0.545 305 R N 0.484 121.053 120.500 0.116 0.000 2.091 305 R HA 0.007 4.347 4.340 0.001 0.000 0.238 305 R C 2.820 179.181 176.300 0.102 0.000 1.136 305 R CA 1.538 57.697 56.100 0.098 0.000 0.959 305 R CB -0.336 30.028 30.300 0.108 0.000 0.856 305 R HN 0.297 nan 8.270 nan 0.000 0.437 306 A N 0.104 122.994 122.820 0.117 0.000 1.898 306 A HA -0.160 4.161 4.320 0.001 0.000 0.216 306 A C 1.887 179.569 177.584 0.163 0.000 1.181 306 A CA 1.310 53.415 52.037 0.113 0.000 0.620 306 A CB -0.769 18.281 19.000 0.083 0.000 0.819 306 A HN 0.438 nan 8.150 nan 0.000 0.442 307 H N 0.065 119.217 119.070 0.138 0.000 2.352 307 H HA -0.110 4.447 4.556 0.002 0.000 0.299 307 H C 1.895 177.327 175.328 0.174 0.000 1.097 307 H CA 1.768 57.929 56.048 0.188 0.000 1.311 307 H CB -0.083 29.797 29.762 0.196 0.000 1.377 307 H HN 0.431 nan 8.280 nan 0.000 0.504 308 N N 0.829 119.654 118.700 0.209 0.000 2.104 308 N HA -0.114 4.627 4.740 0.001 0.000 0.190 308 N C 2.191 177.683 175.510 -0.031 0.000 1.024 308 N CA 0.748 53.842 53.050 0.072 0.000 0.853 308 N CB -0.439 38.074 38.487 0.044 0.000 1.008 308 N HN 0.349 nan 8.380 nan 0.000 0.424 309 I N 0.451 121.005 120.570 -0.027 0.000 2.226 309 I HA -0.255 3.916 4.170 0.001 0.000 0.245 309 I C 2.195 178.172 176.117 -0.233 0.000 1.100 309 I CA 1.017 62.236 61.300 -0.135 0.000 1.374 309 I CB -0.240 37.678 38.000 -0.136 0.000 1.057 309 I HN 0.267 nan 8.210 nan 0.000 0.413 310 H N -0.079 118.905 119.070 -0.144 0.000 2.326 310 H HA -0.153 4.404 4.556 0.001 0.000 0.301 310 H C 2.173 177.349 175.328 -0.253 0.000 1.081 310 H CA 1.587 57.517 56.048 -0.196 0.000 1.334 310 H CB -0.224 29.400 29.762 -0.229 0.000 1.385 310 H HN 0.199 nan 8.280 nan 0.000 0.504 311 L N 0.993 122.154 121.223 -0.104 0.000 2.081 311 L HA -0.146 4.195 4.340 0.001 0.000 0.212 311 L C 2.138 178.627 176.870 -0.636 0.000 1.080 311 L CA 1.468 56.172 54.840 -0.227 0.000 0.754 311 L CB -0.620 41.413 42.059 -0.043 0.000 0.893 311 L HN -0.022 nan 8.230 nan 0.000 0.433 312 S N -1.280 113.984 115.700 -0.727 0.000 2.547 312 S HA -0.109 4.362 4.470 0.001 0.000 0.235 312 S C 1.673 175.938 174.600 -0.559 0.000 0.980 312 S CA 1.066 58.652 58.200 -1.023 0.000 0.941 312 S CB -0.720 62.165 63.200 -0.525 0.000 0.763 312 S HN 0.799 nan 8.310 nan 0.000 0.532 313 T N -0.491 113.838 114.554 -0.375 0.000 3.085 313 T HA 0.183 4.534 4.350 0.001 0.000 0.263 313 T C 0.510 175.105 174.700 -0.175 0.000 1.127 313 T CA -0.053 61.911 62.100 -0.227 0.000 1.103 313 T CB -0.331 68.425 68.868 -0.185 0.000 0.921 313 T HN 0.006 nan 8.240 nan 0.000 0.510 314 L N 3.147 124.263 121.223 -0.177 0.000 2.461 314 L HA 0.238 4.579 4.340 0.001 0.000 0.272 314 L C 1.859 178.785 176.870 0.095 0.000 1.197 314 L CA 0.335 55.118 54.840 -0.094 0.000 0.836 314 L CB 0.821 42.675 42.059 -0.342 0.000 1.105 314 L HN 0.350 nan 8.230 nan 0.000 0.477 315 S N 0.489 116.287 115.700 0.164 0.000 2.453 315 S HA -0.108 4.363 4.470 0.001 0.000 0.231 315 S C 1.256 176.023 174.600 0.278 0.000 1.005 315 S CA 0.942 59.245 58.200 0.172 0.000 0.949 315 S CB -0.489 62.781 63.200 0.117 0.000 0.774 315 S HN 0.766 nan 8.310 nan 0.000 0.510 316 N N -0.208 118.822 118.700 0.551 0.000 2.398 316 N HA 0.126 4.867 4.740 0.001 0.000 0.188 316 N C -0.979 174.638 175.510 0.179 0.000 1.122 316 N CA -0.207 53.011 53.050 0.281 0.000 0.866 316 N CB 0.023 38.515 38.487 0.009 0.000 0.970 316 N HN 0.326 nan 8.380 nan 0.000 0.462 317 F N 1.291 121.347 119.950 0.177 0.000 2.652 317 F HA 0.217 4.745 4.527 0.002 0.000 0.352 317 F C 1.171 177.040 175.800 0.116 0.000 1.259 317 F CA -0.074 58.005 58.000 0.131 0.000 1.249 317 F CB 0.357 39.390 39.000 0.056 0.000 1.628 317 F HN -0.122 nan 8.300 nan 0.000 0.654 318 R N 1.585 122.216 120.500 0.218 0.000 2.432 318 R HA 0.337 4.678 4.340 0.001 0.000 0.260 318 R C -0.364 176.025 176.300 0.149 0.000 0.935 318 R CA 0.008 56.202 56.100 0.158 0.000 1.080 318 R CB 0.436 30.804 30.300 0.113 0.000 1.155 318 R HN 0.405 nan 8.270 nan 0.000 0.531 319 L N 0.728 122.072 121.223 0.202 0.000 2.341 319 L HA 0.523 4.864 4.340 0.001 0.000 0.267 319 L C -2.418 174.551 176.870 0.165 0.000 1.009 319 L CA -2.697 52.230 54.840 0.145 0.000 0.819 319 L CB 2.041 44.178 42.059 0.130 0.000 1.323 319 L HN -0.245 nan 8.230 nan 0.000 0.425 320 P HA 0.138 nan 4.420 nan 0.000 0.269 320 P C -0.440 176.938 177.300 0.130 0.000 1.215 320 P CA -0.144 62.999 63.100 0.072 0.000 0.780 320 P CB 0.628 32.332 31.700 0.006 0.000 0.898 321 G N 0.315 109.233 108.800 0.197 0.000 2.537 321 G HA2 0.317 4.278 3.960 0.001 0.000 0.323 321 G HA3 0.317 4.278 3.960 0.001 0.000 0.323 321 G C -0.879 174.159 174.900 0.230 0.000 1.207 321 G CA -0.491 44.800 45.100 0.318 0.000 0.976 321 G HN 0.304 nan 8.290 nan 0.000 0.487 322 D N 1.301 121.871 120.400 0.282 0.000 2.896 322 D HA 0.190 4.831 4.640 0.001 0.000 0.240 322 D C 0.673 177.057 176.300 0.139 0.000 1.193 322 D CA 0.138 54.253 54.000 0.192 0.000 0.983 322 D CB 0.271 41.195 40.800 0.207 0.000 1.074 322 D HN 0.374 nan 8.370 nan 0.000 0.496 323 T N -2.239 112.394 114.554 0.132 0.000 3.438 323 T HA 0.277 4.628 4.350 0.001 0.000 0.244 323 T C 0.624 175.404 174.700 0.133 0.000 1.269 323 T CA -0.790 61.373 62.100 0.103 0.000 1.371 323 T CB 0.122 69.026 68.868 0.060 0.000 1.002 323 T HN 0.042 nan 8.240 nan 0.000 0.637 324 S N 1.027 116.847 115.700 0.199 0.000 2.661 324 S HA 0.561 5.032 4.470 0.001 0.000 0.265 324 S C 0.403 175.145 174.600 0.237 0.000 1.225 324 S CA -0.642 57.700 58.200 0.237 0.000 0.986 324 S CB 0.561 63.934 63.200 0.287 0.000 1.008 324 S HN 0.408 nan 8.310 nan 0.000 0.565 325 S N 0.770 116.575 115.700 0.175 0.000 2.549 325 S HA 0.349 4.820 4.470 0.001 0.000 0.286 325 S C 1.519 176.245 174.600 0.209 0.000 1.314 325 S CA -0.116 58.165 58.200 0.135 0.000 1.062 325 S CB 0.545 63.783 63.200 0.064 0.000 0.865 325 S HN 0.940 nan 8.310 nan 0.000 0.498 326 A N 3.379 126.338 122.820 0.232 0.000 1.972 326 A HA -0.107 4.214 4.320 0.001 0.000 0.219 326 A C 2.276 180.031 177.584 0.284 0.000 1.169 326 A CA 1.764 54.011 52.037 0.349 0.000 0.635 326 A CB -0.963 18.223 19.000 0.309 0.000 0.810 326 A HN 0.925 nan 8.150 nan 0.000 0.446 327 S N -0.207 115.581 115.700 0.146 0.000 2.500 327 S HA -0.140 4.331 4.470 0.001 0.000 0.239 327 S C 1.708 176.287 174.600 -0.036 0.000 0.989 327 S CA 1.071 59.315 58.200 0.074 0.000 0.951 327 S CB -0.443 62.780 63.200 0.039 0.000 0.759 327 S HN 0.651 nan 8.310 nan 0.000 0.523 328 R N -0.759 119.646 120.500 -0.158 0.000 2.236 328 R HA 0.132 4.473 4.340 0.001 0.000 0.208 328 R C 1.091 177.003 176.300 -0.646 0.000 1.036 328 R CA 1.117 56.964 56.100 -0.421 0.000 1.001 328 R CB -0.192 29.757 30.300 -0.585 0.000 0.896 328 R HN 0.604 nan 8.270 nan 0.000 0.464 329 Y N -2.212 117.917 120.300 -0.285 0.000 2.607 329 Y HA 0.153 4.704 4.550 0.001 0.000 0.276 329 Y C 0.263 175.771 175.900 -0.653 0.000 1.117 329 Y CA -0.421 57.284 58.100 -0.658 0.000 1.273 329 Y CB 0.573 38.366 38.460 -1.112 0.000 1.282 329 Y HN -0.064 nan 8.280 nan 0.000 0.514 330 W N 2.071 123.457 121.300 0.144 0.000 2.683 330 W HA 0.286 4.947 4.660 0.002 0.000 0.329 330 W C 0.836 177.375 176.519 0.034 0.000 1.037 330 W CA -0.977 56.420 57.345 0.087 0.000 1.232 330 W CB 1.179 30.700 29.460 0.102 0.000 1.390 330 W HN -0.135 nan 8.180 nan 0.000 0.465 331 E N 1.889 122.235 120.200 0.244 0.000 2.086 331 E HA -0.209 4.142 4.350 0.001 0.000 0.200 331 E C 0.212 176.860 176.600 0.081 0.000 1.012 331 E CA 1.451 57.926 56.400 0.124 0.000 0.812 331 E CB 0.048 29.806 29.700 0.096 0.000 0.743 331 E HN 0.524 nan 8.360 nan 0.000 0.453 332 R N 0.173 120.726 120.500 0.089 0.000 2.548 332 R HA 0.215 4.556 4.340 0.001 0.000 0.280 332 R C -1.452 174.817 176.300 -0.051 0.000 1.061 332 R CA -0.582 55.455 56.100 -0.105 0.000 0.915 332 R CB 1.510 31.525 30.300 -0.474 0.000 1.210 332 R HN -0.081 nan 8.270 nan 0.000 0.442 333 D N 2.683 123.043 120.400 -0.066 0.000 2.348 333 D HA 0.157 4.798 4.640 0.001 0.000 0.249 333 D C 1.060 177.360 176.300 -0.001 0.000 1.110 333 D CA -0.356 53.599 54.000 -0.075 0.000 0.967 333 D CB 1.321 42.127 40.800 0.010 0.000 1.139 333 D HN 0.560 nan 8.370 nan 0.000 0.466 334 L N 1.295 122.502 121.223 -0.028 0.000 2.552 334 L HA 0.086 4.427 4.340 0.001 0.000 0.227 334 L C 0.869 177.781 176.870 0.069 0.000 1.146 334 L CA 0.387 55.273 54.840 0.077 0.000 0.858 334 L CB -0.460 41.561 42.059 -0.063 0.000 0.969 334 L HN 0.346 nan 8.230 nan 0.000 0.451 335 I N -5.056 115.532 120.570 0.029 0.000 2.750 335 I HA 0.219 4.390 4.170 0.001 0.000 0.308 335 I C 0.742 176.869 176.117 0.017 0.000 1.016 335 I CA -0.805 60.511 61.300 0.027 0.000 1.098 335 I CB 1.341 39.354 38.000 0.022 0.000 1.279 335 I HN -0.119 nan 8.210 nan 0.000 0.454 336 Q N 0.992 120.802 119.800 0.016 0.000 2.230 336 Q HA -0.007 4.334 4.340 0.001 0.000 0.202 336 Q C -0.370 175.631 176.000 0.001 0.000 0.963 336 Q CA 1.125 56.931 55.803 0.005 0.000 0.866 336 Q CB -0.026 28.718 28.738 0.009 0.000 0.931 336 Q HN 0.645 nan 8.270 nan 0.000 0.452 337 E N 1.838 122.043 120.200 0.008 0.000 2.197 337 E HA 0.173 4.524 4.350 0.001 0.000 0.281 337 E C -2.398 174.212 176.600 0.017 0.000 0.995 337 E CA -2.224 54.182 56.400 0.010 0.000 0.808 337 E CB 0.811 30.519 29.700 0.013 0.000 1.093 337 E HN 0.006 nan 8.360 nan 0.000 0.394 338 P HA 0.131 nan 4.420 nan 0.000 0.286 338 P C -0.842 176.477 177.300 0.033 0.000 1.269 338 P CA -0.234 62.882 63.100 0.027 0.000 0.787 338 P CB 0.657 32.367 31.700 0.016 0.000 0.920 339 L N 3.904 125.161 121.223 0.057 0.000 2.314 339 L HA 0.356 4.697 4.340 0.001 0.000 0.275 339 L C 0.525 177.431 176.870 0.060 0.000 1.068 339 L CA -0.130 54.743 54.840 0.055 0.000 0.894 339 L CB 0.372 42.477 42.059 0.076 0.000 1.275 339 L HN 0.219 nan 8.230 nan 0.000 0.432 340 E N 2.654 122.872 120.200 0.031 0.000 2.224 340 E HA 0.547 4.898 4.350 0.001 0.000 0.265 340 E C -0.660 175.938 176.600 -0.004 0.000 0.878 340 E CA -0.526 55.886 56.400 0.021 0.000 0.759 340 E CB 2.751 32.458 29.700 0.012 0.000 1.164 340 E HN 0.483 nan 8.360 nan 0.000 0.414 341 A N 2.310 125.122 122.820 -0.013 0.000 2.316 341 A HA 0.598 4.919 4.320 0.001 0.000 0.284 341 A C -0.246 177.286 177.584 -0.088 0.000 1.115 341 A CA -0.462 51.543 52.037 -0.052 0.000 0.812 341 A CB 0.755 19.718 19.000 -0.062 0.000 1.064 341 A HN 0.326 nan 8.150 nan 0.000 0.489 342 V N 1.866 121.721 119.914 -0.099 0.000 2.638 342 V HA 0.363 4.484 4.120 0.001 0.000 0.306 342 V C -0.105 175.915 176.094 -0.123 0.000 1.052 342 V CA 0.109 62.349 62.300 -0.102 0.000 0.885 342 V CB 1.468 33.252 31.823 -0.065 0.000 0.999 342 V HN 1.139 nan 8.190 nan 0.000 0.424 343 D N 3.856 124.169 120.400 -0.145 0.000 2.701 343 D HA -0.174 4.467 4.640 0.001 0.000 0.235 343 D C 1.239 177.442 176.300 -0.161 0.000 1.155 343 D CA 2.102 56.018 54.000 -0.139 0.000 0.649 343 D CB -0.978 39.771 40.800 -0.084 0.000 1.050 343 D HN 1.661 nan 8.370 nan 0.000 0.425 344 G N -1.144 107.499 108.800 -0.262 0.000 2.168 344 G HA2 -0.285 3.676 3.960 0.001 0.000 0.257 344 G HA3 -0.285 3.676 3.960 0.001 0.000 0.257 344 G C 0.236 175.071 174.900 -0.109 0.000 0.997 344 G CA 0.433 45.398 45.100 -0.225 0.000 0.708 344 G HN 0.584 nan 8.290 nan 0.000 0.520 345 L N -0.310 120.853 121.223 -0.100 0.000 2.343 345 L HA 0.659 5.000 4.340 0.001 0.000 0.278 345 L C 0.086 176.922 176.870 -0.057 0.000 0.996 345 L CA -1.048 53.755 54.840 -0.062 0.000 0.831 345 L CB 1.796 43.822 42.059 -0.055 0.000 1.232 345 L HN 0.189 nan 8.230 nan 0.000 0.413 346 M N 7.337 126.911 119.600 -0.043 0.000 2.080 346 M HA 0.478 4.959 4.480 0.001 0.000 0.350 346 M C -2.453 173.813 176.300 -0.058 0.000 1.173 346 M CA -1.961 53.316 55.300 -0.040 0.000 1.052 346 M CB 1.023 33.611 32.600 -0.021 0.000 1.577 346 M HN 0.073 nan 8.290 nan 0.000 0.455 347 P HA 0.054 nan 4.420 nan 0.000 0.268 347 P C -0.892 176.347 177.300 -0.101 0.000 1.205 347 P CA -0.258 62.801 63.100 -0.068 0.000 0.771 347 P CB 0.309 31.980 31.700 -0.050 0.000 0.858 348 V N 5.664 125.495 119.914 -0.138 0.000 2.508 348 V HA 0.130 4.251 4.120 0.001 0.000 0.281 348 V C -1.750 174.251 176.094 -0.155 0.000 1.041 348 V CA -1.223 60.936 62.300 -0.235 0.000 1.016 348 V CB 0.029 31.678 31.823 -0.289 0.000 0.984 348 V HN 0.566 nan 8.190 nan 0.000 0.478 349 P HA 0.192 nan 4.420 nan 0.000 0.267 349 P C -0.521 176.793 177.300 0.023 0.000 1.205 349 P CA -0.338 62.752 63.100 -0.017 0.000 0.765 349 P CB 0.386 32.107 31.700 0.035 0.000 0.828 350 Q N 2.074 121.880 119.800 0.009 0.000 2.394 350 Q HA 0.529 4.870 4.340 0.001 0.000 0.248 350 Q C 0.388 176.401 176.000 0.020 0.000 0.992 350 Q CA -0.008 55.803 55.803 0.014 0.000 0.888 350 Q CB 0.412 29.149 28.738 -0.001 0.000 1.257 350 Q HN 0.787 nan 8.270 nan 0.000 0.462 351 G N 0.816 109.624 108.800 0.012 0.000 2.371 351 G HA2 0.057 4.018 3.960 0.001 0.000 0.663 351 G HA3 0.057 4.018 3.960 0.001 0.000 0.663 351 G C -3.000 171.879 174.900 -0.034 0.000 1.311 351 G CA -0.621 44.472 45.100 -0.011 0.000 0.985 351 G HN 0.748 nan 8.290 nan 0.000 0.566 352 P HA 0.486 nan 4.420 nan 0.000 0.274 352 P C 1.260 178.471 177.300 -0.148 0.000 1.231 352 P CA 1.581 64.622 63.100 -0.099 0.000 0.790 352 P CB 0.926 32.572 31.700 -0.090 0.000 0.951 353 G N 2.254 110.933 108.800 -0.201 0.000 2.583 353 G HA2 -0.355 3.605 3.960 0.001 0.000 0.292 353 G HA3 -0.355 3.605 3.960 0.001 0.000 0.292 353 G C 1.111 175.708 174.900 -0.505 0.000 1.203 353 G CA 1.155 46.088 45.100 -0.278 0.000 0.987 353 G HN 0.707 nan 8.290 nan 0.000 0.554 354 T N -0.956 113.314 114.554 -0.472 0.000 3.035 354 T HA 0.344 4.694 4.350 0.001 0.000 0.268 354 T C 2.717 177.315 174.700 -0.170 0.000 1.109 354 T CA 1.888 63.654 62.100 -0.556 0.000 1.119 354 T CB -0.322 68.290 68.868 -0.426 0.000 0.900 354 T HN 2.797 nan 8.240 nan 0.000 0.503 355 G N 0.707 109.441 108.800 -0.109 0.000 2.162 355 G HA2 -0.206 3.755 3.960 0.001 0.000 0.260 355 G HA3 -0.206 3.755 3.960 0.001 0.000 0.260 355 G C 0.188 175.095 174.900 0.012 0.000 0.976 355 G CA 0.505 45.611 45.100 0.008 0.000 0.655 355 G HN 1.604 nan 8.290 nan 0.000 0.533 356 V N -3.379 116.529 119.914 -0.011 0.000 3.046 356 V HA 1.009 5.130 4.120 0.001 0.000 0.316 356 V C -0.137 175.954 176.094 -0.006 0.000 1.104 356 V CA -0.195 62.106 62.300 0.001 0.000 1.006 356 V CB 2.206 34.039 31.823 0.016 0.000 1.058 356 V HN 0.649 nan 8.190 nan 0.000 0.440 357 T N 3.051 117.608 114.554 0.005 0.000 2.928 357 T HA 0.545 4.895 4.350 0.001 0.000 0.296 357 T C -0.404 174.307 174.700 0.017 0.000 1.000 357 T CA -0.447 61.657 62.100 0.007 0.000 0.989 357 T CB 1.272 70.144 68.868 0.008 0.000 1.005 357 T HN 0.777 nan 8.240 nan 0.000 0.442 358 L N 2.686 123.921 121.223 0.020 0.000 2.514 358 L HA 0.123 4.464 4.340 0.001 0.000 0.280 358 L C 0.639 177.533 176.870 0.040 0.000 1.223 358 L CA -0.016 54.841 54.840 0.029 0.000 0.864 358 L CB 0.316 42.390 42.059 0.025 0.000 1.118 358 L HN 0.672 nan 8.230 nan 0.000 0.494 359 D N 3.238 123.675 120.400 0.062 0.000 2.479 359 D HA 0.074 4.715 4.640 0.001 0.000 0.218 359 D C 1.007 177.361 176.300 0.089 0.000 1.131 359 D CA -0.377 53.673 54.000 0.084 0.000 0.916 359 D CB 0.711 41.584 40.800 0.121 0.000 1.022 359 D HN 0.277 nan 8.370 nan 0.000 0.515 360 R N 2.149 122.684 120.500 0.059 0.000 2.115 360 R HA -0.108 4.233 4.340 0.001 0.000 0.230 360 R C 1.457 177.779 176.300 0.036 0.000 1.111 360 R CA 0.746 56.870 56.100 0.040 0.000 0.976 360 R CB -0.184 30.137 30.300 0.036 0.000 0.870 360 R HN 0.424 nan 8.270 nan 0.000 0.445 361 E N 0.011 120.247 120.200 0.061 0.000 2.112 361 E HA -0.094 4.256 4.350 0.001 0.000 0.190 361 E C 1.613 178.266 176.600 0.089 0.000 0.979 361 E CA 0.615 57.051 56.400 0.060 0.000 0.814 361 E CB -0.352 29.387 29.700 0.064 0.000 0.762 361 E HN 0.173 nan 8.360 nan 0.000 0.460 362 F N 0.717 120.663 119.950 -0.007 0.000 2.102 362 F HA -0.127 4.400 4.527 0.001 0.000 0.298 362 F C 2.003 177.792 175.800 -0.019 0.000 1.105 362 F CA 1.239 59.231 58.000 -0.013 0.000 1.239 362 F CB -0.764 38.224 39.000 -0.019 0.000 0.991 362 F HN 0.178 nan 8.300 nan 0.000 0.474 363 L N 1.209 122.327 121.223 -0.176 0.000 2.051 363 L HA -0.205 4.135 4.340 0.001 0.000 0.214 363 L C 2.433 179.158 176.870 -0.242 0.000 1.076 363 L CA 2.266 56.955 54.840 -0.253 0.000 0.758 363 L CB -1.556 40.450 42.059 -0.089 0.000 0.890 363 L HN 0.222 nan 8.230 nan 0.000 0.433 364 A N -1.399 121.336 122.820 -0.142 0.000 1.940 364 A HA -0.250 4.071 4.320 0.001 0.000 0.219 364 A C 2.347 179.856 177.584 -0.125 0.000 1.176 364 A CA 2.388 54.366 52.037 -0.098 0.000 0.631 364 A CB -1.369 17.604 19.000 -0.044 0.000 0.814 364 A HN 0.655 nan 8.150 nan 0.000 0.446 365 T N -2.144 112.307 114.554 -0.172 0.000 3.072 365 T HA 0.038 4.389 4.350 0.001 0.000 0.266 365 T C 1.018 175.599 174.700 -0.199 0.000 1.127 365 T CA 1.437 63.447 62.100 -0.149 0.000 1.107 365 T CB -0.454 68.356 68.868 -0.096 0.000 0.910 365 T HN 0.872 nan 8.240 nan 0.000 0.513 366 V N -2.240 117.490 119.914 -0.306 0.000 3.176 366 V HA 0.424 4.545 4.120 0.001 0.000 0.332 366 V C 0.294 176.297 176.094 -0.152 0.000 1.414 366 V CA -0.652 61.505 62.300 -0.239 0.000 1.133 366 V CB -0.456 31.143 31.823 -0.373 0.000 1.088 366 V HN 0.200 nan 8.190 nan 0.000 0.473 367 T N 1.644 116.122 114.554 -0.127 0.000 2.729 367 T HA 0.263 4.613 4.350 0.001 0.000 0.296 367 T C 0.964 175.631 174.700 -0.054 0.000 0.928 367 T CA 0.319 62.368 62.100 -0.084 0.000 1.045 367 T CB 1.583 70.408 68.868 -0.072 0.000 0.902 367 T HN 0.505 nan 8.240 nan 0.000 0.500 368 E N 2.781 122.956 120.200 -0.042 0.000 2.051 368 E HA 0.130 4.481 4.350 0.001 0.000 0.192 368 E C 0.564 177.149 176.600 -0.024 0.000 0.991 368 E CA 0.892 57.273 56.400 -0.030 0.000 0.799 368 E CB 0.218 29.904 29.700 -0.023 0.000 0.748 368 E HN 0.799 nan 8.360 nan 0.000 0.449 369 A N -0.301 122.507 122.820 -0.021 0.000 2.566 369 A HA 0.552 4.873 4.320 0.001 0.000 0.297 369 A C -1.589 175.991 177.584 -0.006 0.000 1.059 369 A CA -0.853 51.177 52.037 -0.012 0.000 0.691 369 A CB 1.226 20.222 19.000 -0.007 0.000 1.282 369 A HN 0.114 nan 8.150 nan 0.000 0.401 370 Q N 0.892 120.692 119.800 -0.001 0.000 2.416 370 Q HA 0.785 5.126 4.340 0.001 0.000 0.281 370 Q C -1.184 174.825 176.000 0.016 0.000 1.067 370 Q CA -0.851 54.958 55.803 0.011 0.000 0.809 370 Q CB 2.356 31.098 28.738 0.005 0.000 1.418 370 Q HN 0.853 nan 8.270 nan 0.000 0.411 371 E N 0.437 120.660 120.200 0.038 0.000 2.372 371 E HA 0.447 4.798 4.350 0.001 0.000 0.279 371 E C -1.596 175.036 176.600 0.052 0.000 0.946 371 E CA -0.878 55.535 56.400 0.021 0.000 0.769 371 E CB 2.525 32.257 29.700 0.053 0.000 1.230 371 E HN 0.661 nan 8.360 nan 0.000 0.442 372 E N 2.117 122.295 120.200 -0.037 0.000 2.176 372 E HA 0.276 4.627 4.350 0.001 0.000 0.267 372 E C -1.170 175.363 176.600 -0.112 0.000 0.893 372 E CA -0.651 55.756 56.400 0.012 0.000 0.761 372 E CB 1.177 30.874 29.700 -0.005 0.000 1.133 372 E HN 0.498 nan 8.360 nan 0.000 0.409 373 H N 3.436 122.531 119.070 0.041 0.000 2.569 373 H HA 0.558 5.115 4.556 0.001 0.000 0.357 373 H C -0.013 175.343 175.328 0.047 0.000 1.153 373 H CA -0.850 55.222 56.048 0.039 0.000 1.193 373 H CB 1.697 31.485 29.762 0.043 0.000 1.602 373 H HN 0.421 nan 8.280 nan 0.000 0.523 374 R N 0.412 120.997 120.500 0.143 0.000 3.045 374 R HA 0.592 4.933 4.340 0.001 0.000 0.245 374 R C -0.137 176.219 176.300 0.094 0.000 1.333 374 R CA -0.968 55.191 56.100 0.099 0.000 1.036 374 R CB 0.991 31.321 30.300 0.051 0.000 1.340 374 R HN 0.650 nan 8.270 nan 0.000 0.488 375 A N 0.000 122.862 122.820 0.070 0.000 2.254 375 A HA 0.000 4.321 4.320 0.001 0.000 0.244 375 A CA 0.000 52.072 52.037 0.059 0.000 0.836 375 A CB 0.000 19.023 19.000 0.038 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486