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 2abb_1_A DATA FIRST_RESID 4 DATA SEQUENCE KLFTPLKVGA VTAPNRVFMA PLTRLRSIEP GDIPTPLMGE YYRQRASAGL DATA SEQUENCE IISEATQISA QAKGYAGAPG LHSPEQIAAW KKITAGVHAE DGRIAVQLWH DATA SEQUENCE TGRISHSSIQ PGGQAPVSAS ALNANTRTSL RDENGNAIRV DTTTPRALEL DATA SEQUENCE DEIPGIVNDF RQAVANAREA GFDLVELHSA HGFLLHQFLS PSSNQRTDQY DATA SEQUENCE GGSVENRARL VLEVVDAVCN EWSADRIGIR VSPIGTFQNV DNGPNEEADA DATA SEQUENCE LYLIEELAKR GIAYLHMSET DLAGGKPYSE AFRQKVRERF HGVIIGAGAY DATA SEQUENCE TAEKAEDLIG KGLIDAVAFG RDYIANPDLV ARLQKKAELN PQRPESFYGG DATA SEQUENCE GAEGYTDYPS L 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.493 176.600 -0.179 0.000 0.988 4 K CA 0.000 56.247 56.287 -0.067 0.000 0.838 4 K CB 0.000 32.462 32.500 -0.064 0.000 1.064 5 L N 0.293 121.291 121.223 -0.375 0.000 2.265 5 L HA 0.129 4.469 4.340 -0.000 0.000 0.215 5 L C 1.044 177.434 176.870 -0.799 0.000 1.117 5 L CA 1.480 55.910 54.840 -0.684 0.000 0.782 5 L CB -0.111 41.331 42.059 -1.029 0.000 0.914 5 L HN 0.472 nan 8.230 nan 0.000 0.441 6 F N -1.233 118.728 119.950 0.019 0.000 2.750 6 F HA 0.156 4.683 4.527 0.000 0.000 0.297 6 F C 1.019 176.833 175.800 0.022 0.000 1.138 6 F CA -0.686 57.329 58.000 0.025 0.000 1.346 6 F CB -0.518 38.494 39.000 0.020 0.000 0.965 6 F HN -0.129 nan 8.300 nan 0.000 0.514 7 T N -2.149 112.444 114.554 0.065 0.000 2.888 7 T HA 0.603 4.953 4.350 -0.000 0.000 0.284 7 T C -2.863 171.861 174.700 0.040 0.000 1.017 7 T CA -2.781 59.352 62.100 0.055 0.000 1.022 7 T CB 2.411 71.294 68.868 0.025 0.000 1.013 7 T HN -0.267 nan 8.240 nan 0.000 0.465 8 P HA 0.468 nan 4.420 nan 0.000 0.272 8 P C -1.141 176.178 177.300 0.032 0.000 1.240 8 P CA -0.649 62.478 63.100 0.046 0.000 0.791 8 P CB 0.370 32.093 31.700 0.039 0.000 0.978 9 L N 0.185 121.435 121.223 0.046 0.000 2.505 9 L HA 0.382 4.721 4.340 -0.000 0.000 0.266 9 L C -0.649 176.251 176.870 0.050 0.000 0.954 9 L CA -0.755 54.110 54.840 0.042 0.000 0.852 9 L CB 2.062 44.152 42.059 0.051 0.000 1.282 9 L HN -0.001 nan 8.230 nan 0.000 0.403 10 K N 3.784 124.203 120.400 0.032 0.000 2.339 10 K HA 0.612 4.932 4.320 -0.000 0.000 0.286 10 K C -1.078 175.548 176.600 0.043 0.000 1.050 10 K CA -0.199 56.103 56.287 0.026 0.000 0.956 10 K CB 0.586 33.092 32.500 0.010 0.000 0.990 10 K HN 0.483 nan 8.250 nan 0.000 0.475 11 V N 5.303 125.245 119.914 0.046 0.000 2.305 11 V HA 0.500 4.620 4.120 -0.000 0.000 0.275 11 V C 1.229 177.352 176.094 0.047 0.000 1.020 11 V CA -0.041 62.306 62.300 0.078 0.000 0.811 11 V CB 0.175 32.051 31.823 0.089 0.000 1.031 11 V HN 1.265 nan 8.190 nan 0.000 0.439 12 G N 4.819 113.639 108.800 0.034 0.000 2.651 12 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.315 12 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.315 12 G C 1.150 176.020 174.900 -0.049 0.000 1.258 12 G CA 0.738 45.823 45.100 -0.026 0.000 1.002 12 G HN 1.463 nan 8.290 nan 0.000 0.551 13 A N -0.233 122.533 122.820 -0.090 0.000 2.206 13 A HA 0.507 4.827 4.320 -0.000 0.000 0.211 13 A C 1.396 178.948 177.584 -0.054 0.000 1.158 13 A CA 2.489 54.475 52.037 -0.085 0.000 0.761 13 A CB -0.726 18.193 19.000 -0.135 0.000 0.801 13 A HN 2.217 nan 8.150 nan 0.000 0.473 14 V N -4.813 115.076 119.914 -0.042 0.000 3.113 14 V HA 0.791 4.911 4.120 -0.000 0.000 0.316 14 V C -0.461 175.624 176.094 -0.015 0.000 1.125 14 V CA -0.616 61.666 62.300 -0.030 0.000 1.026 14 V CB 1.588 33.390 31.823 -0.034 0.000 1.080 14 V HN -0.038 nan 8.190 nan 0.000 0.444 15 T N 2.161 116.709 114.554 -0.011 0.000 2.815 15 T HA 0.757 5.107 4.350 -0.000 0.000 0.289 15 T C -0.032 174.674 174.700 0.009 0.000 1.000 15 T CA 0.174 62.277 62.100 0.006 0.000 0.958 15 T CB 1.061 69.933 68.868 0.007 0.000 0.944 15 T HN 1.322 nan 8.240 nan 0.000 0.442 16 A N 5.275 128.113 122.820 0.029 0.000 2.366 16 A HA 0.551 4.871 4.320 -0.000 0.000 0.272 16 A C -1.228 176.403 177.584 0.078 0.000 1.135 16 A CA -1.434 50.632 52.037 0.049 0.000 0.804 16 A CB 0.334 19.412 19.000 0.130 0.000 1.064 16 A HN 0.531 nan 8.150 nan 0.000 0.499 17 P HA -0.013 nan 4.420 nan 0.000 0.236 17 P C -0.326 177.044 177.300 0.116 0.000 1.177 17 P CA 0.853 64.004 63.100 0.084 0.000 0.773 17 P CB -0.107 31.637 31.700 0.074 0.000 0.878 18 N N -1.914 116.874 118.700 0.147 0.000 2.934 18 N HA 0.255 4.995 4.740 -0.000 0.000 0.253 18 N C 0.141 175.742 175.510 0.151 0.000 1.466 18 N CA -0.878 52.257 53.050 0.141 0.000 0.858 18 N CB 0.516 39.133 38.487 0.216 0.000 1.459 18 N HN -0.412 nan 8.380 nan 0.000 0.532 19 R N -0.243 120.244 120.500 -0.021 0.000 2.468 19 R HA 0.305 4.645 4.340 -0.000 0.000 0.280 19 R C -0.449 175.673 176.300 -0.296 0.000 0.963 19 R CA -0.158 55.795 56.100 -0.245 0.000 1.083 19 R CB -0.347 29.759 30.300 -0.323 0.000 1.200 19 R HN 0.442 nan 8.270 nan 0.000 0.541 20 V N 3.500 123.457 119.914 0.072 0.000 2.304 20 V HA 0.258 4.378 4.120 -0.000 0.000 0.262 20 V C -0.348 176.065 176.094 0.532 0.000 1.061 20 V CA -0.316 62.143 62.300 0.265 0.000 0.872 20 V CB 0.124 32.129 31.823 0.303 0.000 1.077 20 V HN -0.072 nan 8.190 nan 0.000 0.480 21 F N 3.540 123.541 119.950 0.086 0.000 2.432 21 F HA 0.555 5.082 4.527 0.000 0.000 0.329 21 F C 0.369 176.195 175.800 0.044 0.000 1.076 21 F CA -2.046 55.937 58.000 -0.030 0.000 1.018 21 F CB 1.744 40.608 39.000 -0.228 0.000 1.201 21 F HN 0.341 nan 8.300 nan 0.000 0.489 22 M N 2.815 122.368 119.600 -0.079 0.000 2.077 22 M HA 0.565 5.045 4.480 -0.000 0.000 0.348 22 M C -0.269 176.003 176.300 -0.048 0.000 1.252 22 M CA -0.426 54.685 55.300 -0.315 0.000 1.096 22 M CB 0.420 32.506 32.600 -0.856 0.000 1.568 22 M HN 0.678 nan 8.290 nan 0.000 0.456 23 A N 7.594 130.465 122.820 0.085 0.000 2.466 23 A HA 0.454 4.774 4.320 -0.000 0.000 0.238 23 A C -2.444 175.188 177.584 0.080 0.000 1.074 23 A CA -1.079 51.032 52.037 0.123 0.000 0.774 23 A CB -0.668 18.419 19.000 0.145 0.000 1.015 23 A HN 0.651 nan 8.150 nan 0.000 0.498 24 P HA 0.291 nan 4.420 nan 0.000 0.271 24 P C -1.163 176.161 177.300 0.040 0.000 1.220 24 P CA 0.473 63.584 63.100 0.019 0.000 0.768 24 P CB 0.378 32.026 31.700 -0.087 0.000 0.848 25 L N 2.900 124.165 121.223 0.069 0.000 2.457 25 L HA 0.253 4.592 4.340 -0.000 0.000 0.266 25 L C 0.394 177.298 176.870 0.057 0.000 0.979 25 L CA -0.404 54.469 54.840 0.054 0.000 0.857 25 L CB 1.674 43.761 42.059 0.047 0.000 1.213 25 L HN 0.187 nan 8.230 nan 0.000 0.418 26 T N 3.054 117.635 114.554 0.044 0.000 2.829 26 T HA 0.140 4.490 4.350 -0.000 0.000 0.293 26 T C 1.023 175.783 174.700 0.101 0.000 0.970 26 T CA -0.061 62.083 62.100 0.073 0.000 1.168 26 T CB 0.476 69.402 68.868 0.096 0.000 0.911 26 T HN 0.430 nan 8.240 nan 0.000 0.535 27 R N 2.211 122.747 120.500 0.059 0.000 2.469 27 R HA 0.255 4.595 4.340 -0.000 0.000 0.250 27 R C 0.710 177.009 176.300 -0.002 0.000 0.909 27 R CA -0.199 55.880 56.100 -0.035 0.000 1.050 27 R CB -0.257 29.930 30.300 -0.188 0.000 1.256 27 R HN 0.709 nan 8.270 nan 0.000 0.550 28 L N 1.482 122.744 121.223 0.066 0.000 3.597 28 L HA -0.275 4.065 4.340 -0.000 0.000 0.440 28 L C 0.365 177.221 176.870 -0.023 0.000 1.277 28 L CA 0.576 55.467 54.840 0.086 0.000 0.852 28 L CB -1.162 41.008 42.059 0.185 0.000 1.708 28 L HN 0.151 nan 8.230 nan 0.000 0.885 29 R N -1.325 119.100 120.500 -0.123 0.000 2.543 29 R HA 0.249 4.589 4.340 -0.000 0.000 0.323 29 R C 0.719 176.943 176.300 -0.125 0.000 1.002 29 R CA -0.153 55.827 56.100 -0.199 0.000 1.106 29 R CB 0.853 30.866 30.300 -0.479 0.000 1.280 29 R HN 0.245 nan 8.270 nan 0.000 0.549 30 S N 0.886 116.549 115.700 -0.061 0.000 2.593 30 S HA 0.228 4.698 4.470 -0.000 0.000 0.269 30 S C 0.540 175.117 174.600 -0.038 0.000 1.334 30 S CA -0.342 57.826 58.200 -0.052 0.000 1.015 30 S CB 0.992 64.181 63.200 -0.017 0.000 0.912 30 S HN 0.131 nan 8.310 nan 0.000 0.541 31 I N 1.852 122.394 120.570 -0.046 0.000 2.588 31 I HA 0.117 4.286 4.170 -0.000 0.000 0.283 31 I C 0.568 176.679 176.117 -0.010 0.000 1.119 31 I CA 0.445 61.727 61.300 -0.030 0.000 1.419 31 I CB 0.454 38.432 38.000 -0.037 0.000 1.394 31 I HN 0.587 nan 8.210 nan 0.000 0.562 32 E N 6.824 127.024 120.200 -0.001 0.000 2.238 32 E HA 0.437 4.787 4.350 -0.000 0.000 0.267 32 E C -2.167 174.436 176.600 0.005 0.000 0.887 32 E CA -1.752 54.654 56.400 0.010 0.000 0.769 32 E CB 1.355 31.066 29.700 0.020 0.000 1.187 32 E HN 0.437 nan 8.360 nan 0.000 0.416 33 P HA 0.238 nan 4.420 nan 0.000 0.274 33 P C 0.420 177.728 177.300 0.013 0.000 1.237 33 P CA -0.101 63.008 63.100 0.016 0.000 0.793 33 P CB 1.011 32.720 31.700 0.016 0.000 0.977 34 G N 0.476 109.291 108.800 0.025 0.000 2.231 34 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.206 34 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.206 34 G C -0.048 174.859 174.900 0.012 0.000 0.996 34 G CA 0.081 45.192 45.100 0.018 0.000 0.645 34 G HN 0.587 nan 8.290 nan 0.000 0.498 35 D N -0.055 120.361 120.400 0.026 0.000 2.697 35 D HA -0.170 4.470 4.640 -0.000 0.000 0.238 35 D C 0.505 176.798 176.300 -0.013 0.000 1.152 35 D CA 1.590 55.614 54.000 0.039 0.000 0.666 35 D CB -1.565 39.296 40.800 0.102 0.000 1.037 35 D HN 0.768 nan 8.370 nan 0.000 0.423 36 I N -0.105 120.433 120.570 -0.053 0.000 2.336 36 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 36 I C -1.983 174.021 176.117 -0.188 0.000 0.991 36 I CA -2.092 59.137 61.300 -0.118 0.000 1.227 36 I CB 1.327 39.273 38.000 -0.090 0.000 1.366 36 I HN -0.329 nan 8.210 nan 0.000 0.466 37 P HA 0.044 nan 4.420 nan 0.000 0.268 37 P C -0.359 176.790 177.300 -0.252 0.000 1.208 37 P CA -0.008 62.823 63.100 -0.449 0.000 0.777 37 P CB 0.494 31.603 31.700 -0.984 0.000 0.875 38 T N -1.453 113.005 114.554 -0.160 0.000 2.930 38 T HA 0.472 4.822 4.350 -0.000 0.000 0.290 38 T C -2.170 172.513 174.700 -0.029 0.000 1.052 38 T CA -2.285 59.768 62.100 -0.078 0.000 1.017 38 T CB 1.164 70.004 68.868 -0.047 0.000 1.137 38 T HN 0.044 nan 8.240 nan 0.000 0.511 39 P HA -0.045 nan 4.420 nan 0.000 0.218 39 P C 1.616 178.951 177.300 0.058 0.000 1.148 39 P CA 0.349 63.461 63.100 0.020 0.000 0.822 39 P CB -0.014 31.693 31.700 0.013 0.000 0.784 40 L N -1.506 119.760 121.223 0.072 0.000 2.046 40 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 40 L C 2.315 179.318 176.870 0.223 0.000 1.077 40 L CA 1.897 56.819 54.840 0.137 0.000 0.747 40 L CB -0.984 41.158 42.059 0.140 0.000 0.896 40 L HN -0.117 nan 8.230 nan 0.000 0.432 41 M N -1.092 118.638 119.600 0.217 0.000 2.117 41 M HA -0.125 4.354 4.480 -0.000 0.000 0.262 41 M C 2.174 178.645 176.300 0.285 0.000 1.065 41 M CA 1.714 57.175 55.300 0.268 0.000 1.114 41 M CB -1.063 31.643 32.600 0.176 0.000 1.361 41 M HN 0.448 nan 8.290 nan 0.000 0.408 42 G N -0.037 108.883 108.800 0.200 0.000 2.440 42 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 42 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 42 G C 1.350 176.342 174.900 0.153 0.000 1.154 42 G CA 1.251 46.464 45.100 0.188 0.000 0.767 42 G HN 0.566 nan 8.290 nan 0.000 0.552 43 E N -0.671 119.592 120.200 0.105 0.000 2.051 43 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 43 E C 2.094 178.710 176.600 0.028 0.000 0.991 43 E CA 0.970 57.406 56.400 0.060 0.000 0.799 43 E CB -0.350 29.381 29.700 0.052 0.000 0.748 43 E HN 0.522 nan 8.360 nan 0.000 0.449 44 Y N 0.112 120.287 120.300 -0.209 0.000 2.114 44 Y HA -0.315 4.235 4.550 -0.000 0.000 0.282 44 Y C 1.740 177.457 175.900 -0.306 0.000 1.165 44 Y CA 2.124 59.954 58.100 -0.450 0.000 1.148 44 Y CB -0.542 37.330 38.460 -0.979 0.000 0.972 44 Y HN 0.128 nan 8.280 nan 0.000 0.504 45 Y N 0.061 120.313 120.300 -0.081 0.000 2.263 45 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 45 Y C 2.831 178.639 175.900 -0.155 0.000 1.130 45 Y CA 1.681 59.670 58.100 -0.184 0.000 1.179 45 Y CB -0.708 37.758 38.460 0.010 0.000 0.998 45 Y HN 0.065 nan 8.280 nan 0.000 0.532 46 R N 0.455 120.994 120.500 0.066 0.000 2.096 46 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 46 R C 1.970 178.258 176.300 -0.019 0.000 1.127 46 R CA 1.627 57.737 56.100 0.017 0.000 0.968 46 R CB -0.168 30.147 30.300 0.025 0.000 0.861 46 R HN 0.432 nan 8.270 nan 0.000 0.440 47 Q N -0.472 119.297 119.800 -0.053 0.000 2.226 47 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 47 Q C 1.278 177.246 176.000 -0.054 0.000 0.975 47 Q CA 1.264 57.034 55.803 -0.054 0.000 0.866 47 Q CB 0.162 28.856 28.738 -0.073 0.000 0.915 47 Q HN 0.272 nan 8.270 nan 0.000 0.440 48 R N -0.775 119.665 120.500 -0.101 0.000 2.427 48 R HA 0.238 4.578 4.340 -0.000 0.000 0.262 48 R C 1.309 177.583 176.300 -0.044 0.000 0.943 48 R CA 0.173 56.232 56.100 -0.069 0.000 1.081 48 R CB 0.498 30.647 30.300 -0.251 0.000 1.166 48 R HN 0.063 nan 8.270 nan 0.000 0.534 49 A N 0.821 123.626 122.820 -0.025 0.000 2.209 49 A HA -0.099 4.221 4.320 -0.000 0.000 0.212 49 A C 1.934 179.524 177.584 0.010 0.000 1.158 49 A CA 1.247 53.273 52.037 -0.019 0.000 0.742 49 A CB -0.214 18.779 19.000 -0.012 0.000 0.790 49 A HN 0.337 nan 8.150 nan 0.000 0.472 50 S N -0.129 115.598 115.700 0.045 0.000 2.555 50 S HA 0.378 4.848 4.470 -0.000 0.000 0.230 50 S C 1.057 175.727 174.600 0.116 0.000 0.978 50 S CA 0.300 58.545 58.200 0.075 0.000 0.934 50 S CB -0.725 62.522 63.200 0.080 0.000 0.766 50 S HN 0.906 nan 8.310 nan 0.000 0.533 51 A N 1.319 124.208 122.820 0.114 0.000 2.561 51 A HA 0.506 4.825 4.320 -0.000 0.000 0.234 51 A C 1.654 179.279 177.584 0.069 0.000 1.055 51 A CA 0.180 52.298 52.037 0.135 0.000 0.756 51 A CB -0.530 18.405 19.000 -0.107 0.000 0.986 51 A HN 0.448 nan 8.150 nan 0.000 0.505 52 G N 0.483 109.384 108.800 0.169 0.000 2.469 52 G HA2 0.108 4.068 3.960 -0.000 0.000 0.219 52 G HA3 0.108 4.068 3.960 -0.000 0.000 0.219 52 G C 0.347 175.081 174.900 -0.276 0.000 1.150 52 G CA 1.697 46.868 45.100 0.119 0.000 0.763 52 G HN 1.177 nan 8.290 nan 0.000 0.561 53 L N -0.653 120.218 121.223 -0.587 0.000 2.526 53 L HA 0.540 4.879 4.340 -0.000 0.000 0.263 53 L C -1.159 175.422 176.870 -0.481 0.000 0.943 53 L CA -0.838 53.566 54.840 -0.727 0.000 0.859 53 L CB 1.884 43.098 42.059 -1.408 0.000 1.313 53 L HN 0.021 nan 8.230 nan 0.000 0.406 54 I N 5.551 125.935 120.570 -0.309 0.000 2.371 54 I HA 0.369 4.538 4.170 -0.000 0.000 0.290 54 I C -0.376 175.629 176.117 -0.186 0.000 1.028 54 I CA -0.228 60.930 61.300 -0.236 0.000 1.345 54 I CB 1.085 38.988 38.000 -0.161 0.000 1.407 54 I HN 0.481 nan 8.210 nan 0.000 0.501 55 I N 5.868 126.360 120.570 -0.130 0.000 2.339 55 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 55 I C 0.695 176.794 176.117 -0.030 0.000 0.994 55 I CA -0.349 60.905 61.300 -0.077 0.000 1.191 55 I CB 1.528 39.519 38.000 -0.014 0.000 1.343 55 I HN 0.632 nan 8.210 nan 0.000 0.458 56 S N 5.194 120.837 115.700 -0.095 0.000 2.589 56 S HA 0.104 4.574 4.470 -0.000 0.000 0.265 56 S C 0.251 174.885 174.600 0.058 0.000 1.342 56 S CA -0.762 57.435 58.200 -0.004 0.000 1.005 56 S CB 0.544 63.620 63.200 -0.207 0.000 0.909 56 S HN 0.699 nan 8.310 nan 0.000 0.555 57 E N 0.841 121.190 120.200 0.249 0.000 2.467 57 E HA 0.215 4.564 4.350 -0.000 0.000 0.264 57 E C 0.254 176.753 176.600 -0.169 0.000 1.020 57 E CA -0.204 56.243 56.400 0.078 0.000 0.945 57 E CB 0.133 29.952 29.700 0.199 0.000 0.942 57 E HN 0.841 nan 8.360 nan 0.000 0.449 58 A N 3.246 125.777 122.820 -0.481 0.000 2.546 58 A HA 0.183 4.503 4.320 -0.000 0.000 0.243 58 A C -0.145 176.916 177.584 -0.873 0.000 1.063 58 A CA 0.239 51.663 52.037 -1.022 0.000 0.757 58 A CB 0.160 17.863 19.000 -2.162 0.000 0.991 58 A HN 0.601 nan 8.150 nan 0.000 0.503 59 T N 3.159 117.350 114.554 -0.605 0.000 2.881 59 T HA 0.400 4.750 4.350 -0.000 0.000 0.290 59 T C -0.478 174.345 174.700 0.206 0.000 1.000 59 T CA -0.364 61.706 62.100 -0.051 0.000 0.978 59 T CB 1.304 70.136 68.868 -0.060 0.000 0.997 59 T HN 0.705 nan 8.240 nan 0.000 0.443 60 Q N 2.035 122.095 119.800 0.433 0.000 2.300 60 Q HA 0.179 4.519 4.340 -0.000 0.000 0.280 60 Q C 1.603 177.743 176.000 0.233 0.000 1.033 60 Q CA 0.009 56.039 55.803 0.378 0.000 0.903 60 Q CB 0.312 29.238 28.738 0.314 0.000 1.195 60 Q HN 0.780 nan 8.270 nan 0.000 0.386 61 I N -1.352 119.247 120.570 0.048 0.000 2.928 61 I HA 0.059 4.229 4.170 -0.000 0.000 0.266 61 I C 0.226 176.314 176.117 -0.049 0.000 1.234 61 I CA 0.220 61.482 61.300 -0.063 0.000 1.483 61 I CB 0.102 37.875 38.000 -0.379 0.000 1.097 61 I HN 0.452 nan 8.210 nan 0.000 0.455 62 S N -0.752 114.844 115.700 -0.173 0.000 2.611 62 S HA 0.685 5.155 4.470 -0.000 0.000 0.268 62 S C 0.405 174.561 174.600 -0.740 0.000 1.156 62 S CA -0.352 57.537 58.200 -0.519 0.000 0.817 62 S CB 1.397 64.416 63.200 -0.301 0.000 1.122 62 S HN 0.116 nan 8.310 nan 0.000 0.466 63 A N 0.661 122.967 122.820 -0.857 0.000 1.933 63 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 63 A C 2.082 179.510 177.584 -0.260 0.000 1.175 63 A CA 1.872 53.660 52.037 -0.415 0.000 0.628 63 A CB -1.138 17.720 19.000 -0.236 0.000 0.814 63 A HN 0.890 nan 8.150 nan 0.000 0.444 64 Q N -0.465 119.180 119.800 -0.258 0.000 2.170 64 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 64 Q C 2.030 177.763 176.000 -0.445 0.000 0.976 64 Q CA 1.346 57.021 55.803 -0.212 0.000 0.858 64 Q CB -0.322 28.368 28.738 -0.080 0.000 0.907 64 Q HN 0.620 nan 8.270 nan 0.000 0.433 65 A N 1.034 123.444 122.820 -0.684 0.000 2.125 65 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 65 A C 1.080 178.308 177.584 -0.594 0.000 1.156 65 A CA 0.485 51.890 52.037 -1.053 0.000 0.671 65 A CB -0.310 18.295 19.000 -0.658 0.000 0.794 65 A HN 0.259 nan 8.150 nan 0.000 0.459 66 K N -0.133 120.072 120.400 -0.325 0.000 2.412 66 K HA 0.271 4.591 4.320 -0.000 0.000 0.281 66 K C 0.889 177.362 176.600 -0.212 0.000 1.027 66 K CA 0.539 56.719 56.287 -0.178 0.000 0.989 66 K CB 0.412 32.887 32.500 -0.040 0.000 0.935 66 K HN 0.139 nan 8.250 nan 0.000 0.475 67 G N 3.282 111.948 108.800 -0.222 0.000 2.801 67 G HA2 0.089 4.049 3.960 -0.000 0.000 0.213 67 G HA3 0.089 4.049 3.960 -0.000 0.000 0.213 67 G C -0.877 173.812 174.900 -0.351 0.000 1.052 67 G CA 0.019 44.950 45.100 -0.281 0.000 0.868 67 G HN 0.527 nan 8.290 nan 0.000 0.589 68 Y N 0.763 121.039 120.300 -0.040 0.000 2.391 68 Y HA 0.663 5.213 4.550 -0.001 0.000 0.341 68 Y C 0.343 176.282 175.900 0.065 0.000 0.965 68 Y CA -1.535 56.592 58.100 0.043 0.000 1.067 68 Y CB 1.937 40.478 38.460 0.135 0.000 1.199 68 Y HN 0.127 nan 8.280 nan 0.000 0.450 69 A N 1.765 124.681 122.820 0.159 0.000 2.492 69 A HA 0.462 4.782 4.320 -0.000 0.000 0.254 69 A C 1.293 178.965 177.584 0.147 0.000 1.091 69 A CA 0.944 53.052 52.037 0.118 0.000 0.768 69 A CB -0.796 18.239 19.000 0.059 0.000 1.028 69 A HN 1.606 nan 8.150 nan 0.000 0.498 70 G N 0.843 109.717 108.800 0.124 0.000 2.194 70 G HA2 0.168 4.128 3.960 -0.000 0.000 0.236 70 G HA3 0.168 4.128 3.960 -0.000 0.000 0.236 70 G C 0.534 175.514 174.900 0.132 0.000 0.987 70 G CA 0.230 45.389 45.100 0.100 0.000 0.635 70 G HN 2.138 nan 8.290 nan 0.000 0.520 71 A N 1.829 124.778 122.820 0.216 0.000 2.363 71 A HA 0.730 5.050 4.320 -0.000 0.000 0.270 71 A C -1.346 176.384 177.584 0.243 0.000 1.121 71 A CA -0.720 51.478 52.037 0.269 0.000 0.800 71 A CB 0.713 19.998 19.000 0.475 0.000 1.052 71 A HN 0.251 nan 8.150 nan 0.000 0.493 72 P HA 0.409 nan 4.420 nan 0.000 0.276 72 P C 0.157 177.646 177.300 0.316 0.000 1.252 72 P CA 0.014 63.249 63.100 0.226 0.000 0.802 72 P CB 1.353 33.199 31.700 0.243 0.000 1.035 73 G N 0.039 108.992 108.800 0.255 0.000 2.597 73 G HA2 0.535 4.494 3.960 -0.000 0.000 0.317 73 G HA3 0.535 4.494 3.960 -0.000 0.000 0.317 73 G C -1.255 173.804 174.900 0.266 0.000 1.230 73 G CA -0.536 44.700 45.100 0.226 0.000 0.996 73 G HN 0.483 nan 8.290 nan 0.000 0.490 74 L N -0.024 121.297 121.223 0.164 0.000 3.025 74 L HA 0.393 4.733 4.340 -0.000 0.000 0.307 74 L C 0.623 177.551 176.870 0.096 0.000 1.303 74 L CA -0.523 54.399 54.840 0.138 0.000 0.817 74 L CB -0.465 41.604 42.059 0.016 0.000 1.227 74 L HN 0.813 nan 8.230 nan 0.000 0.571 75 H N -3.220 115.910 119.070 0.099 0.000 3.205 75 H HA 0.521 5.077 4.556 -0.000 0.000 0.252 75 H C 0.698 176.059 175.328 0.055 0.000 1.015 75 H CA 0.357 56.437 56.048 0.054 0.000 1.192 75 H CB 0.005 29.782 29.762 0.025 0.000 1.474 75 H HN 0.234 nan 8.280 nan 0.000 0.484 76 S N 0.242 115.855 115.700 -0.144 0.000 2.651 76 S HA 0.334 4.804 4.470 -0.000 0.000 0.291 76 S C -1.838 172.761 174.600 -0.002 0.000 1.141 76 S CA -1.495 56.690 58.200 -0.025 0.000 1.027 76 S CB 2.446 65.606 63.200 -0.066 0.000 1.043 76 S HN -0.095 nan 8.310 nan 0.000 0.530 77 P HA -0.065 nan 4.420 nan 0.000 0.216 77 P C 0.868 178.177 177.300 0.014 0.000 1.150 77 P CA 1.252 64.364 63.100 0.020 0.000 0.837 77 P CB 0.017 31.727 31.700 0.018 0.000 0.786 78 E N -0.581 119.618 120.200 -0.001 0.000 2.106 78 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 78 E C 2.170 178.760 176.600 -0.017 0.000 0.984 78 E CA 1.071 57.465 56.400 -0.011 0.000 0.806 78 E CB -0.703 28.985 29.700 -0.019 0.000 0.750 78 E HN 0.370 nan 8.360 nan 0.000 0.458 79 Q N 0.077 119.866 119.800 -0.020 0.000 2.050 79 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 79 Q C 2.221 178.317 176.000 0.160 0.000 0.980 79 Q CA 1.182 56.995 55.803 0.016 0.000 0.840 79 Q CB -0.162 28.581 28.738 0.010 0.000 0.898 79 Q HN 0.307 nan 8.270 nan 0.000 0.424 80 I N 0.667 121.328 120.570 0.151 0.000 2.208 80 I HA -0.318 3.851 4.170 -0.000 0.000 0.245 80 I C 2.403 178.602 176.117 0.137 0.000 1.097 80 I CA 1.081 62.490 61.300 0.183 0.000 1.363 80 I CB -0.414 37.647 38.000 0.100 0.000 1.051 80 I HN 0.195 nan 8.210 nan 0.000 0.413 81 A N 0.580 123.440 122.820 0.067 0.000 1.902 81 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 81 A C 2.519 180.118 177.584 0.025 0.000 1.181 81 A CA 1.893 53.952 52.037 0.035 0.000 0.623 81 A CB -0.797 18.210 19.000 0.012 0.000 0.818 81 A HN 0.444 nan 8.150 nan 0.000 0.443 82 A N -1.500 121.318 122.820 -0.005 0.000 1.898 82 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 82 A C 2.002 179.558 177.584 -0.046 0.000 1.181 82 A CA 1.181 53.172 52.037 -0.076 0.000 0.620 82 A CB -0.910 17.981 19.000 -0.182 0.000 0.819 82 A HN 0.740 nan 8.150 nan 0.000 0.442 83 W N 0.278 121.579 121.300 0.002 0.000 2.374 83 W HA -0.102 4.558 4.660 -0.000 0.000 0.288 83 W C 2.275 178.698 176.519 -0.159 0.000 1.218 83 W CA 1.299 58.626 57.345 -0.031 0.000 1.245 83 W CB 0.027 29.539 29.460 0.087 0.000 1.126 83 W HN 0.243 nan 8.180 nan 0.000 0.545 84 K N 0.522 120.989 120.400 0.112 0.000 2.103 84 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 84 K C 1.776 178.364 176.600 -0.020 0.000 1.048 84 K CA 1.581 57.868 56.287 0.000 0.000 0.930 84 K CB -0.239 32.267 32.500 0.012 0.000 0.716 84 K HN 0.158 nan 8.250 nan 0.000 0.444 85 K N 0.524 120.924 120.400 0.000 0.000 2.057 85 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 85 K C 2.090 178.682 176.600 -0.014 0.000 1.050 85 K CA 1.084 57.365 56.287 -0.009 0.000 0.935 85 K CB -0.060 32.436 32.500 -0.008 0.000 0.715 85 K HN 0.113 nan 8.250 nan 0.000 0.439 86 I N 1.302 121.877 120.570 0.008 0.000 2.179 86 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 86 I C 2.698 178.757 176.117 -0.097 0.000 1.088 86 I CA 1.704 63.024 61.300 0.033 0.000 1.357 86 I CB -0.809 37.292 38.000 0.168 0.000 1.051 86 I HN 0.349 nan 8.210 nan 0.000 0.409 87 T N -0.670 113.745 114.554 -0.231 0.000 2.821 87 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 87 T C 2.016 176.477 174.700 -0.397 0.000 1.046 87 T CA 0.927 62.743 62.100 -0.474 0.000 1.139 87 T CB -0.436 68.052 68.868 -0.633 0.000 0.871 87 T HN 0.325 nan 8.240 nan 0.000 0.454 88 A N 1.828 124.558 122.820 -0.151 0.000 1.940 88 A HA 0.211 4.531 4.320 -0.000 0.000 0.219 88 A C 2.720 180.280 177.584 -0.041 0.000 1.176 88 A CA 1.751 53.768 52.037 -0.034 0.000 0.631 88 A CB -1.627 17.371 19.000 -0.002 0.000 0.814 88 A HN 0.631 nan 8.150 nan 0.000 0.446 89 G N -0.669 108.097 108.800 -0.056 0.000 2.402 89 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 89 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 89 G C 1.509 176.382 174.900 -0.045 0.000 1.162 89 G CA 1.169 46.253 45.100 -0.026 0.000 0.777 89 G HN 0.312 nan 8.290 nan 0.000 0.539 90 V N 0.588 120.427 119.914 -0.124 0.000 2.295 90 V HA -0.226 3.893 4.120 -0.000 0.000 0.246 90 V C 2.429 178.472 176.094 -0.086 0.000 1.049 90 V CA 2.278 64.491 62.300 -0.145 0.000 1.024 90 V CB -0.868 30.797 31.823 -0.263 0.000 0.648 90 V HN 0.560 nan 8.190 nan 0.000 0.447 91 H N -0.134 118.915 119.070 -0.034 0.000 2.421 91 H HA -0.047 4.508 4.556 -0.000 0.000 0.298 91 H C 2.277 177.595 175.328 -0.017 0.000 1.087 91 H CA 0.997 57.027 56.048 -0.029 0.000 1.330 91 H CB -0.128 29.613 29.762 -0.036 0.000 1.388 91 H HN 0.471 nan 8.280 nan 0.000 0.526 92 A N 1.014 123.889 122.820 0.093 0.000 2.019 92 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 92 A C 1.768 179.376 177.584 0.039 0.000 1.164 92 A CA 1.399 53.467 52.037 0.052 0.000 0.644 92 A CB 0.026 19.044 19.000 0.031 0.000 0.805 92 A HN 0.318 nan 8.150 nan 0.000 0.449 93 E N -0.809 119.412 120.200 0.035 0.000 2.463 93 E HA 0.069 4.418 4.350 -0.000 0.000 0.193 93 E C -0.292 176.329 176.600 0.034 0.000 1.041 93 E CA 0.459 56.875 56.400 0.026 0.000 0.879 93 E CB -0.007 29.702 29.700 0.015 0.000 0.997 93 E HN 0.528 nan 8.360 nan 0.000 0.478 94 D N -0.066 120.365 120.400 0.052 0.000 2.981 94 D HA -0.123 4.517 4.640 -0.000 0.000 0.223 94 D C 0.358 176.693 176.300 0.058 0.000 1.151 94 D CA 1.082 55.114 54.000 0.053 0.000 0.827 94 D CB -1.038 39.782 40.800 0.032 0.000 1.101 94 D HN 0.347 nan 8.370 nan 0.000 0.426 95 G N -0.455 108.386 108.800 0.069 0.000 2.535 95 G HA2 0.764 4.724 3.960 -0.000 0.000 0.303 95 G HA3 0.764 4.724 3.960 -0.000 0.000 0.303 95 G C -0.326 174.634 174.900 0.101 0.000 1.237 95 G CA -0.752 44.373 45.100 0.043 0.000 0.986 95 G HN 0.194 nan 8.290 nan 0.000 0.494 96 R N -1.287 119.223 120.500 0.018 0.000 2.686 96 R HA 0.635 4.975 4.340 -0.000 0.000 0.283 96 R C -1.180 175.088 176.300 -0.053 0.000 0.978 96 R CA -0.583 55.540 56.100 0.038 0.000 0.897 96 R CB 2.611 32.891 30.300 -0.033 0.000 1.192 96 R HN 0.463 nan 8.270 nan 0.000 0.457 97 I N 1.052 121.621 120.570 -0.002 0.000 2.607 97 I HA 0.665 4.835 4.170 -0.000 0.000 0.290 97 I C -1.298 174.892 176.117 0.121 0.000 1.129 97 I CA -0.571 60.715 61.300 -0.024 0.000 1.042 97 I CB 1.809 39.742 38.000 -0.112 0.000 1.242 97 I HN 0.814 nan 8.210 nan 0.000 0.421 98 A N 6.421 129.254 122.820 0.021 0.000 2.324 98 A HA 0.674 4.994 4.320 -0.000 0.000 0.330 98 A C -1.176 176.252 177.584 -0.259 0.000 1.165 98 A CA -0.535 51.485 52.037 -0.029 0.000 0.813 98 A CB 1.708 20.699 19.000 -0.016 0.000 1.197 98 A HN 0.587 nan 8.150 nan 0.000 0.484 99 V N 2.571 122.083 119.914 -0.670 0.000 2.407 99 V HA 0.321 4.441 4.120 -0.000 0.000 0.278 99 V C 0.161 175.941 176.094 -0.524 0.000 1.037 99 V CA -0.397 61.292 62.300 -1.019 0.000 0.900 99 V CB 1.256 31.890 31.823 -1.982 0.000 0.983 99 V HN 0.965 nan 8.190 nan 0.000 0.459 100 Q N 5.890 125.451 119.800 -0.399 0.000 2.294 100 Q HA 0.458 4.798 4.340 -0.000 0.000 0.257 100 Q C -1.380 174.468 176.000 -0.252 0.000 0.955 100 Q CA -0.398 55.245 55.803 -0.266 0.000 0.936 100 Q CB 1.043 29.623 28.738 -0.263 0.000 1.188 100 Q HN 0.776 nan 8.270 nan 0.000 0.420 101 L N 5.886 127.060 121.223 -0.081 0.000 2.296 101 L HA 0.560 4.900 4.340 -0.000 0.000 0.286 101 L C -0.758 176.306 176.870 0.323 0.000 1.023 101 L CA -0.913 53.961 54.840 0.056 0.000 0.812 101 L CB 0.604 42.731 42.059 0.113 0.000 1.223 101 L HN 0.668 nan 8.230 nan 0.000 0.421 102 W N 2.661 124.025 121.300 0.107 0.000 2.902 102 W HA 0.526 5.185 4.660 -0.001 0.000 0.346 102 W C -1.285 175.237 176.519 0.004 0.000 1.139 102 W CA -1.209 56.216 57.345 0.134 0.000 1.139 102 W CB 0.398 29.846 29.460 -0.021 0.000 1.439 102 W HN 0.371 nan 8.180 nan 0.000 0.558 103 H N 1.614 120.796 119.070 0.187 0.000 2.589 103 H HA 0.242 4.798 4.556 -0.000 0.000 0.335 103 H C 0.935 176.177 175.328 -0.144 0.000 1.019 103 H CA 0.371 56.367 56.048 -0.087 0.000 1.213 103 H CB 2.122 31.867 29.762 -0.028 0.000 1.472 103 H HN 0.615 nan 8.280 nan 0.000 0.508 104 T N 1.262 115.653 114.554 -0.271 0.000 3.055 104 T HA 0.133 4.483 4.350 -0.000 0.000 0.265 104 T C 1.427 176.272 174.700 0.241 0.000 1.111 104 T CA 0.649 62.645 62.100 -0.173 0.000 1.118 104 T CB -0.055 68.516 68.868 -0.495 0.000 0.909 104 T HN 0.824 nan 8.240 nan 0.000 0.501 105 G N 3.308 112.354 108.800 0.409 0.000 2.651 105 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.315 105 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.315 105 G C 0.907 175.880 174.900 0.122 0.000 1.258 105 G CA 0.927 46.169 45.100 0.237 0.000 1.002 105 G HN 0.857 nan 8.290 nan 0.000 0.551 106 R N 0.491 121.034 120.500 0.072 0.000 2.316 106 R HA 0.233 4.573 4.340 -0.000 0.000 0.202 106 R C 1.264 177.570 176.300 0.010 0.000 1.029 106 R CA 0.963 57.075 56.100 0.019 0.000 1.018 106 R CB -0.233 30.060 30.300 -0.011 0.000 0.888 106 R HN 0.479 nan 8.270 nan 0.000 0.471 107 I N 1.886 122.488 120.570 0.053 0.000 2.227 107 I HA 0.129 4.299 4.170 -0.000 0.000 0.297 107 I C -0.141 175.924 176.117 -0.087 0.000 1.173 107 I CA -0.158 61.160 61.300 0.029 0.000 1.356 107 I CB 0.330 38.427 38.000 0.163 0.000 1.485 107 I HN 0.165 nan 8.210 nan 0.000 0.604 108 S N 3.707 119.342 115.700 -0.108 0.000 2.655 108 S HA 0.491 4.961 4.470 -0.000 0.000 0.266 108 S C -1.673 172.904 174.600 -0.038 0.000 1.149 108 S CA -0.607 57.514 58.200 -0.131 0.000 0.818 108 S CB 1.569 64.710 63.200 -0.099 0.000 1.130 108 S HN 0.640 nan 8.310 nan 0.000 0.476 109 H N -0.076 118.917 119.070 -0.128 0.000 2.806 109 H HA 0.506 5.062 4.556 -0.000 0.000 0.367 109 H C 1.080 176.368 175.328 -0.067 0.000 1.136 109 H CA 0.167 56.161 56.048 -0.090 0.000 1.178 109 H CB 1.916 31.622 29.762 -0.093 0.000 1.718 109 H HN 0.548 nan 8.280 nan 0.000 0.540 110 S N 1.675 117.115 115.700 -0.433 0.000 2.400 110 S HA -0.233 4.237 4.470 -0.000 0.000 0.232 110 S C 1.979 176.545 174.600 -0.057 0.000 1.025 110 S CA 1.360 59.428 58.200 -0.220 0.000 0.993 110 S CB -0.589 62.459 63.200 -0.253 0.000 0.808 110 S HN 0.636 nan 8.310 nan 0.000 0.478 111 S N 2.188 117.958 115.700 0.117 0.000 2.474 111 S HA -0.018 4.451 4.470 -0.000 0.000 0.235 111 S C 1.435 176.091 174.600 0.094 0.000 0.997 111 S CA 0.730 59.029 58.200 0.165 0.000 0.949 111 S CB -0.856 62.503 63.200 0.266 0.000 0.766 111 S HN 0.815 nan 8.310 nan 0.000 0.517 112 I N -2.156 118.462 120.570 0.080 0.000 4.081 112 I HA 0.427 4.597 4.170 -0.000 0.000 0.333 112 I C 0.097 176.215 176.117 0.001 0.000 1.413 112 I CA -0.748 60.572 61.300 0.034 0.000 1.110 112 I CB -0.243 37.774 38.000 0.029 0.000 1.082 112 I HN -0.028 nan 8.210 nan 0.000 0.402 113 Q N 2.503 122.296 119.800 -0.012 0.000 2.260 113 Q HA 0.439 4.779 4.340 -0.000 0.000 0.242 113 Q C -2.313 173.672 176.000 -0.025 0.000 0.932 113 Q CA -1.780 54.003 55.803 -0.034 0.000 0.891 113 Q CB 0.545 29.257 28.738 -0.043 0.000 1.222 113 Q HN 0.081 nan 8.270 nan 0.000 0.453 114 P HA -0.005 nan 4.420 nan 0.000 0.264 114 P C 0.507 177.796 177.300 -0.019 0.000 1.193 114 P CA 0.932 64.017 63.100 -0.024 0.000 0.763 114 P CB 0.238 31.918 31.700 -0.033 0.000 0.810 115 G N 3.025 111.818 108.800 -0.012 0.000 2.189 115 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.267 115 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.267 115 G C 0.875 175.767 174.900 -0.013 0.000 0.975 115 G CA 0.495 45.589 45.100 -0.011 0.000 0.644 115 G HN 1.069 nan 8.290 nan 0.000 0.537 116 G N -1.541 107.250 108.800 -0.015 0.000 2.179 116 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.257 116 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.257 116 G C 0.346 175.223 174.900 -0.039 0.000 1.010 116 G CA 1.343 46.431 45.100 -0.020 0.000 0.736 116 G HN 1.041 nan 8.290 nan 0.000 0.513 117 Q N -0.482 119.294 119.800 -0.040 0.000 2.169 117 Q HA 0.733 5.073 4.340 -0.000 0.000 0.234 117 Q C 0.762 176.725 176.000 -0.062 0.000 0.980 117 Q CA -0.021 55.754 55.803 -0.046 0.000 0.941 117 Q CB 0.882 29.601 28.738 -0.032 0.000 1.199 117 Q HN 0.851 nan 8.270 nan 0.000 0.496 118 A N 2.440 125.224 122.820 -0.061 0.000 2.498 118 A HA 0.348 4.668 4.320 -0.000 0.000 0.239 118 A C -1.899 175.657 177.584 -0.047 0.000 1.068 118 A CA -0.701 51.295 52.037 -0.068 0.000 0.766 118 A CB -0.672 18.293 19.000 -0.057 0.000 1.003 118 A HN 0.398 nan 8.150 nan 0.000 0.497 119 P HA 0.363 nan 4.420 nan 0.000 0.275 119 P C -0.287 177.016 177.300 0.006 0.000 1.266 119 P CA -0.114 62.979 63.100 -0.012 0.000 0.793 119 P CB 0.712 32.400 31.700 -0.019 0.000 1.074 120 V N -3.365 116.578 119.914 0.047 0.000 2.881 120 V HA 0.894 5.014 4.120 -0.000 0.000 0.316 120 V C -0.165 175.942 176.094 0.021 0.000 1.070 120 V CA -0.550 61.767 62.300 0.029 0.000 0.976 120 V CB 1.225 33.069 31.823 0.036 0.000 1.038 120 V HN 0.803 nan 8.190 nan 0.000 0.446 121 S N 0.955 116.650 115.700 -0.009 0.000 2.727 121 S HA 0.743 5.213 4.470 -0.000 0.000 0.278 121 S C 1.001 175.514 174.600 -0.144 0.000 1.186 121 S CA 0.201 58.377 58.200 -0.040 0.000 0.836 121 S CB 1.135 64.295 63.200 -0.067 0.000 1.186 121 S HN 1.810 nan 8.310 nan 0.000 0.499 122 A N 0.910 123.458 122.820 -0.454 0.000 1.902 122 A HA 0.289 4.609 4.320 -0.000 0.000 0.217 122 A C 0.930 178.283 177.584 -0.386 0.000 1.181 122 A CA 1.653 53.161 52.037 -0.882 0.000 0.623 122 A CB -0.678 17.522 19.000 -1.334 0.000 0.818 122 A HN 0.716 nan 8.150 nan 0.000 0.443 123 S N -3.354 112.192 115.700 -0.257 0.000 2.661 123 S HA 0.630 5.100 4.470 -0.000 0.000 0.285 123 S C -0.396 174.141 174.600 -0.106 0.000 1.138 123 S CA -0.081 58.028 58.200 -0.152 0.000 0.855 123 S CB 1.877 64.993 63.200 -0.140 0.000 1.136 123 S HN 0.792 nan 8.310 nan 0.000 0.484 124 A N 1.811 124.585 122.820 -0.076 0.000 3.157 124 A HA 0.619 4.939 4.320 -0.000 0.000 0.276 124 A C -0.737 176.814 177.584 -0.055 0.000 1.524 124 A CA -0.172 51.830 52.037 -0.058 0.000 1.236 124 A CB -0.916 18.057 19.000 -0.046 0.000 1.173 124 A HN 0.583 nan 8.150 nan 0.000 0.595 125 L N 1.020 122.207 121.223 -0.061 0.000 2.376 125 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 125 L C 0.063 176.903 176.870 -0.049 0.000 0.987 125 L CA -0.691 54.117 54.840 -0.055 0.000 0.828 125 L CB 1.885 43.906 42.059 -0.063 0.000 1.249 125 L HN 0.597 nan 8.230 nan 0.000 0.409 126 N N 1.250 119.925 118.700 -0.041 0.000 2.454 126 N HA 0.102 4.842 4.740 -0.000 0.000 0.254 126 N C 1.077 176.565 175.510 -0.035 0.000 1.228 126 N CA 0.571 53.599 53.050 -0.036 0.000 0.900 126 N CB 1.458 39.927 38.487 -0.030 0.000 1.089 126 N HN 0.768 nan 8.380 nan 0.000 0.449 127 A N 3.321 126.121 122.820 -0.033 0.000 2.070 127 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 127 A C 0.524 178.094 177.584 -0.024 0.000 1.159 127 A CA 0.834 52.852 52.037 -0.032 0.000 0.656 127 A CB -0.370 18.613 19.000 -0.028 0.000 0.800 127 A HN 0.928 nan 8.150 nan 0.000 0.453 128 N N -0.902 117.787 118.700 -0.019 0.000 2.735 128 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 128 N C 0.096 175.602 175.510 -0.006 0.000 1.083 128 N CA 1.478 54.520 53.050 -0.012 0.000 0.703 128 N CB -1.730 36.748 38.487 -0.014 0.000 1.005 128 N HN 0.655 nan 8.380 nan 0.000 0.550 129 T N -1.560 112.991 114.554 -0.004 0.000 2.591 129 T HA 0.701 5.051 4.350 -0.000 0.000 0.274 129 T C -0.883 173.819 174.700 0.004 0.000 0.945 129 T CA -0.445 61.658 62.100 0.006 0.000 1.087 129 T CB 1.302 70.177 68.868 0.012 0.000 1.416 129 T HN 0.047 nan 8.240 nan 0.000 0.514 130 R N 0.651 121.158 120.500 0.011 0.000 2.854 130 R HA 0.764 5.104 4.340 -0.000 0.000 0.271 130 R C -0.335 175.951 176.300 -0.023 0.000 0.996 130 R CA -0.578 55.519 56.100 -0.006 0.000 0.961 130 R CB 1.473 31.774 30.300 0.001 0.000 1.182 130 R HN 0.679 nan 8.270 nan 0.000 0.479 131 T N -1.277 113.216 114.554 -0.101 0.000 2.841 131 T HA 0.562 4.912 4.350 -0.000 0.000 0.276 131 T C -0.805 173.813 174.700 -0.137 0.000 1.003 131 T CA -0.482 61.466 62.100 -0.254 0.000 0.995 131 T CB 1.069 69.619 68.868 -0.529 0.000 1.260 131 T HN 0.316 nan 8.240 nan 0.000 0.581 132 S N 1.266 116.909 115.700 -0.095 0.000 2.456 132 S HA 0.699 5.169 4.470 -0.000 0.000 0.316 132 S C -0.642 173.957 174.600 -0.002 0.000 1.089 132 S CA -0.779 57.435 58.200 0.024 0.000 1.101 132 S CB -0.226 63.056 63.200 0.137 0.000 0.995 132 S HN 0.519 nan 8.310 nan 0.000 0.468 133 L N 3.725 124.919 121.223 -0.048 0.000 2.491 133 L HA 0.705 5.045 4.340 -0.000 0.000 0.264 133 L C 0.279 177.140 176.870 -0.015 0.000 1.053 133 L CA -1.295 53.514 54.840 -0.052 0.000 0.858 133 L CB 1.047 43.022 42.059 -0.139 0.000 1.519 133 L HN 0.478 nan 8.230 nan 0.000 0.508 134 R N -0.096 120.395 120.500 -0.015 0.000 2.670 134 R HA 0.289 4.629 4.340 -0.000 0.000 0.289 134 R C -1.271 175.019 176.300 -0.016 0.000 0.965 134 R CA -0.790 55.307 56.100 -0.004 0.000 0.899 134 R CB 1.882 32.187 30.300 0.008 0.000 1.173 134 R HN 0.632 nan 8.270 nan 0.000 0.456 135 D N 1.223 121.616 120.400 -0.012 0.000 2.440 135 D HA 0.069 4.709 4.640 -0.000 0.000 0.269 135 D C 1.077 177.372 176.300 -0.008 0.000 1.249 135 D CA -0.138 53.853 54.000 -0.014 0.000 1.055 135 D CB 0.199 40.992 40.800 -0.012 0.000 1.104 135 D HN 0.537 nan 8.370 nan 0.000 0.561 136 E N -0.785 119.411 120.200 -0.007 0.000 2.338 136 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 136 E C 1.185 177.784 176.600 -0.003 0.000 1.007 136 E CA 1.064 57.462 56.400 -0.004 0.000 0.849 136 E CB -0.873 28.825 29.700 -0.003 0.000 0.774 136 E HN 0.459 nan 8.360 nan 0.000 0.506 137 N N -0.819 117.880 118.700 -0.003 0.000 2.280 137 N HA 0.211 4.950 4.740 -0.000 0.000 0.192 137 N C 1.241 176.750 175.510 -0.002 0.000 1.109 137 N CA 0.778 53.827 53.050 -0.002 0.000 0.855 137 N CB 1.278 39.764 38.487 -0.002 0.000 0.974 137 N HN 0.559 nan 8.380 nan 0.000 0.482 138 G N 0.780 109.579 108.800 -0.001 0.000 2.157 138 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 138 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 138 G C -0.144 174.758 174.900 0.002 0.000 0.979 138 G CA -0.393 44.707 45.100 -0.000 0.000 0.650 138 G HN 0.258 nan 8.290 nan 0.000 0.529 139 N N 0.895 119.597 118.700 0.004 0.000 2.518 139 N HA 0.587 5.327 4.740 -0.000 0.000 0.283 139 N C 0.585 176.105 175.510 0.017 0.000 1.119 139 N CA 0.515 53.571 53.050 0.010 0.000 0.983 139 N CB 1.391 39.883 38.487 0.009 0.000 1.139 139 N HN 0.678 nan 8.380 nan 0.000 0.465 140 A N 2.051 124.891 122.820 0.033 0.000 2.477 140 A HA 0.427 4.747 4.320 -0.000 0.000 0.246 140 A C 0.437 178.037 177.584 0.026 0.000 1.078 140 A CA -0.120 51.943 52.037 0.042 0.000 0.770 140 A CB -0.428 18.622 19.000 0.083 0.000 1.011 140 A HN 0.723 nan 8.150 nan 0.000 0.494 141 I N -2.049 118.525 120.570 0.006 0.000 2.769 141 I HA 0.842 5.012 4.170 -0.000 0.000 0.298 141 I C 0.040 176.142 176.117 -0.026 0.000 1.128 141 I CA -1.182 60.112 61.300 -0.010 0.000 1.031 141 I CB 2.073 40.058 38.000 -0.026 0.000 1.235 141 I HN 0.659 nan 8.210 nan 0.000 0.423 142 R N 3.793 124.278 120.500 -0.024 0.000 2.297 142 R HA 0.836 5.176 4.340 -0.000 0.000 0.308 142 R C -1.164 175.104 176.300 -0.053 0.000 1.029 142 R CA -0.469 55.611 56.100 -0.033 0.000 0.929 142 R CB 1.088 31.381 30.300 -0.010 0.000 1.046 142 R HN 0.609 nan 8.270 nan 0.000 0.461 143 V N 2.790 122.655 119.914 -0.080 0.000 2.709 143 V HA 0.305 4.425 4.120 -0.000 0.000 0.308 143 V C -0.849 175.217 176.094 -0.047 0.000 1.062 143 V CA -1.293 60.946 62.300 -0.101 0.000 0.901 143 V CB 2.240 33.915 31.823 -0.246 0.000 1.003 143 V HN 0.929 nan 8.190 nan 0.000 0.425 144 D N 2.640 123.039 120.400 -0.002 0.000 2.443 144 D HA 0.224 4.863 4.640 -0.000 0.000 0.239 144 D C 0.690 177.037 176.300 0.078 0.000 1.136 144 D CA 0.339 54.356 54.000 0.028 0.000 0.879 144 D CB 0.991 41.809 40.800 0.030 0.000 1.195 144 D HN 0.801 nan 8.370 nan 0.000 0.443 145 T N -0.519 114.057 114.554 0.037 0.000 2.926 145 T HA 0.215 4.564 4.350 -0.000 0.000 0.307 145 T C 0.444 175.152 174.700 0.013 0.000 1.059 145 T CA -0.672 61.446 62.100 0.030 0.000 1.122 145 T CB 0.475 69.335 68.868 -0.012 0.000 0.972 145 T HN 0.126 nan 8.240 nan 0.000 0.545 146 T N 3.041 117.572 114.554 -0.038 0.000 2.897 146 T HA 0.289 4.639 4.350 -0.000 0.000 0.294 146 T C 0.593 175.248 174.700 -0.075 0.000 1.004 146 T CA -0.466 61.567 62.100 -0.111 0.000 1.106 146 T CB 0.556 69.283 68.868 -0.236 0.000 0.949 146 T HN 0.754 nan 8.240 nan 0.000 0.520 147 T N 6.781 121.295 114.554 -0.067 0.000 2.902 147 T HA 0.186 4.536 4.350 -0.000 0.000 0.301 147 T C -1.854 172.813 174.700 -0.056 0.000 1.012 147 T CA -0.666 61.402 62.100 -0.053 0.000 1.151 147 T CB 0.230 69.069 68.868 -0.047 0.000 0.946 147 T HN 0.435 nan 8.240 nan 0.000 0.542 148 P HA 0.333 nan 4.420 nan 0.000 0.280 148 P C -0.633 176.642 177.300 -0.041 0.000 1.272 148 P CA -0.919 62.156 63.100 -0.041 0.000 0.819 148 P CB 0.953 32.631 31.700 -0.036 0.000 1.122 149 R N 0.029 120.509 120.500 -0.033 0.000 2.598 149 R HA 0.756 5.096 4.340 -0.000 0.000 0.279 149 R C -0.377 175.904 176.300 -0.033 0.000 0.984 149 R CA -0.993 55.088 56.100 -0.032 0.000 0.999 149 R CB 0.747 31.032 30.300 -0.025 0.000 1.114 149 R HN 0.381 nan 8.270 nan 0.000 0.493 150 A N 4.015 126.813 122.820 -0.038 0.000 2.450 150 A HA 0.235 4.555 4.320 -0.000 0.000 0.255 150 A C 0.261 177.834 177.584 -0.018 0.000 1.096 150 A CA -0.669 51.340 52.037 -0.045 0.000 0.778 150 A CB 0.105 19.075 19.000 -0.051 0.000 1.031 150 A HN 0.713 nan 8.150 nan 0.000 0.494 151 L N 2.606 123.830 121.223 0.002 0.000 2.540 151 L HA 0.008 4.348 4.340 -0.000 0.000 0.276 151 L C 0.862 177.740 176.870 0.014 0.000 1.212 151 L CA 0.292 55.145 54.840 0.022 0.000 0.893 151 L CB 0.193 42.295 42.059 0.073 0.000 1.138 151 L HN 0.737 nan 8.230 nan 0.000 0.491 152 E N 2.691 122.893 120.200 0.004 0.000 2.390 152 E HA 0.021 4.371 4.350 -0.000 0.000 0.261 152 E C 0.963 177.563 176.600 -0.000 0.000 1.076 152 E CA -0.409 55.995 56.400 0.006 0.000 0.905 152 E CB 1.014 30.717 29.700 0.004 0.000 0.984 152 E HN 0.554 nan 8.360 nan 0.000 0.427 153 L N 1.952 123.185 121.223 0.017 0.000 2.043 153 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 153 L C 1.855 178.724 176.870 -0.002 0.000 1.075 153 L CA 1.593 56.445 54.840 0.020 0.000 0.752 153 L CB -0.334 41.769 42.059 0.073 0.000 0.891 153 L HN 0.672 nan 8.230 nan 0.000 0.432 154 D N -1.289 119.115 120.400 0.008 0.000 2.363 154 D HA -0.171 4.469 4.640 -0.000 0.000 0.220 154 D C 1.478 177.772 176.300 -0.009 0.000 0.994 154 D CA 0.666 54.669 54.000 0.006 0.000 0.890 154 D CB -0.169 40.638 40.800 0.013 0.000 0.906 154 D HN 0.400 nan 8.370 nan 0.000 0.530 155 E N -0.183 120.003 120.200 -0.023 0.000 2.442 155 E HA 0.123 4.473 4.350 -0.000 0.000 0.195 155 E C 1.968 178.532 176.600 -0.060 0.000 1.030 155 E CA -0.087 56.296 56.400 -0.029 0.000 0.869 155 E CB 0.213 29.901 29.700 -0.020 0.000 0.857 155 E HN 0.361 nan 8.360 nan 0.000 0.505 156 I N 1.501 122.004 120.570 -0.111 0.000 2.252 156 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 156 I C -0.777 175.271 176.117 -0.114 0.000 1.102 156 I CA 0.924 62.101 61.300 -0.205 0.000 1.385 156 I CB -1.117 36.602 38.000 -0.468 0.000 1.064 156 I HN 0.035 nan 8.210 nan 0.000 0.414 157 P HA -0.149 nan 4.420 nan 0.000 0.218 157 P C 1.603 178.906 177.300 0.004 0.000 1.148 157 P CA 1.655 64.751 63.100 -0.006 0.000 0.822 157 P CB -0.232 31.475 31.700 0.012 0.000 0.784 158 G N -0.194 108.604 108.800 -0.004 0.000 2.408 158 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 158 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 158 G C 1.425 176.337 174.900 0.021 0.000 1.150 158 G CA 0.395 45.499 45.100 0.008 0.000 0.776 158 G HN 0.143 nan 8.290 nan 0.000 0.542 159 I N 1.013 121.590 120.570 0.010 0.000 2.179 159 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 159 I C 2.960 179.180 176.117 0.172 0.000 1.088 159 I CA 0.774 62.106 61.300 0.054 0.000 1.357 159 I CB -1.175 36.815 38.000 -0.017 0.000 1.051 159 I HN 0.035 nan 8.210 nan 0.000 0.409 160 V N 1.443 121.424 119.914 0.112 0.000 2.343 160 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 160 V C 2.318 178.505 176.094 0.157 0.000 1.051 160 V CA 2.274 64.660 62.300 0.143 0.000 1.036 160 V CB -1.077 30.779 31.823 0.054 0.000 0.654 160 V HN 0.437 nan 8.190 nan 0.000 0.451 161 N N 0.300 119.056 118.700 0.094 0.000 2.166 161 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 161 N C 1.455 177.012 175.510 0.077 0.000 1.019 161 N CA 1.547 54.642 53.050 0.076 0.000 0.856 161 N CB -0.184 38.330 38.487 0.045 0.000 0.993 161 N HN 0.452 nan 8.380 nan 0.000 0.426 162 D N -0.573 119.863 120.400 0.061 0.000 2.117 162 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 162 D C 1.541 177.835 176.300 -0.009 0.000 0.982 162 D CA 0.823 54.821 54.000 -0.004 0.000 0.828 162 D CB -0.413 40.347 40.800 -0.067 0.000 0.967 162 D HN 0.307 nan 8.370 nan 0.000 0.464 163 F N 1.190 121.170 119.950 0.050 0.000 2.134 163 F HA -0.097 4.430 4.527 0.000 0.000 0.299 163 F C 2.557 178.382 175.800 0.041 0.000 1.097 163 F CA 0.993 59.023 58.000 0.050 0.000 1.264 163 F CB -0.260 38.764 39.000 0.040 0.000 1.001 163 F HN -0.143 nan 8.300 nan 0.000 0.479 164 R N 0.326 120.958 120.500 0.221 0.000 2.080 164 R HA -0.264 4.076 4.340 -0.000 0.000 0.236 164 R C 2.274 178.631 176.300 0.094 0.000 1.137 164 R CA 2.067 58.248 56.100 0.136 0.000 0.943 164 R CB -0.487 29.873 30.300 0.100 0.000 0.846 164 R HN 0.233 nan 8.270 nan 0.000 0.431 165 Q N 0.238 120.081 119.800 0.072 0.000 2.124 165 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 165 Q C 1.799 177.824 176.000 0.042 0.000 0.977 165 Q CA 2.155 57.985 55.803 0.045 0.000 0.850 165 Q CB -0.301 28.460 28.738 0.038 0.000 0.901 165 Q HN 0.455 nan 8.270 nan 0.000 0.429 166 A N -0.700 122.149 122.820 0.048 0.000 1.933 166 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 166 A C 2.241 179.844 177.584 0.032 0.000 1.175 166 A CA 1.526 53.585 52.037 0.036 0.000 0.628 166 A CB -0.674 18.334 19.000 0.014 0.000 0.814 166 A HN 0.273 nan 8.150 nan 0.000 0.444 167 V N -0.221 119.738 119.914 0.075 0.000 2.358 167 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 167 V C 3.050 179.151 176.094 0.012 0.000 1.047 167 V CA 1.745 64.106 62.300 0.101 0.000 1.035 167 V CB -1.177 30.754 31.823 0.180 0.000 0.658 167 V HN 0.609 nan 8.190 nan 0.000 0.452 168 A N 0.694 123.503 122.820 -0.019 0.000 1.908 168 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 168 A C 2.041 179.550 177.584 -0.126 0.000 1.181 168 A CA 2.286 54.259 52.037 -0.108 0.000 0.627 168 A CB -0.702 18.265 19.000 -0.054 0.000 0.818 168 A HN 0.604 nan 8.150 nan 0.000 0.445 169 N N 0.373 119.044 118.700 -0.049 0.000 2.188 169 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 169 N C 1.843 177.347 175.510 -0.010 0.000 1.018 169 N CA 1.512 54.550 53.050 -0.021 0.000 0.858 169 N CB -0.653 37.849 38.487 0.024 0.000 0.989 169 N HN 0.480 nan 8.380 nan 0.000 0.426 170 A N 1.365 124.179 122.820 -0.010 0.000 1.902 170 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 170 A C 2.268 179.887 177.584 0.058 0.000 1.181 170 A CA 1.449 53.546 52.037 0.099 0.000 0.623 170 A CB -0.528 18.485 19.000 0.022 0.000 0.818 170 A HN 0.267 nan 8.150 nan 0.000 0.443 171 R N -0.102 120.201 120.500 -0.329 0.000 2.083 171 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 171 R C 2.220 178.328 176.300 -0.320 0.000 1.137 171 R CA 1.979 57.624 56.100 -0.759 0.000 0.951 171 R CB -0.342 29.089 30.300 -1.449 0.000 0.851 171 R HN 0.707 nan 8.270 nan 0.000 0.434 172 E N -0.179 119.891 120.200 -0.216 0.000 2.153 172 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 172 E C 1.478 178.048 176.600 -0.051 0.000 0.988 172 E CA 1.256 57.588 56.400 -0.113 0.000 0.811 172 E CB -0.120 29.534 29.700 -0.076 0.000 0.746 172 E HN 0.490 nan 8.360 nan 0.000 0.466 173 A N -0.038 122.778 122.820 -0.007 0.000 2.209 173 A HA 0.205 4.525 4.320 -0.000 0.000 0.212 173 A C 1.791 179.295 177.584 -0.133 0.000 1.158 173 A CA 0.966 52.998 52.037 -0.007 0.000 0.742 173 A CB -0.549 18.514 19.000 0.106 0.000 0.790 173 A HN 0.566 nan 8.150 nan 0.000 0.472 174 G N -2.212 106.546 108.800 -0.071 0.000 2.141 174 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 174 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 174 G C -0.007 174.894 174.900 0.003 0.000 0.984 174 G CA -0.056 45.029 45.100 -0.026 0.000 0.660 174 G HN 0.292 nan 8.290 nan 0.000 0.525 175 F N 1.380 121.387 119.950 0.096 0.000 2.553 175 F HA 0.278 4.805 4.527 0.000 0.000 0.356 175 F C 1.664 177.621 175.800 0.261 0.000 1.142 175 F CA 0.442 58.507 58.000 0.108 0.000 1.322 175 F CB 0.542 39.550 39.000 0.012 0.000 1.126 175 F HN 0.006 nan 8.300 nan 0.000 0.599 176 D N 1.534 122.155 120.400 0.368 0.000 2.194 176 D HA 0.066 4.706 4.640 -0.000 0.000 0.204 176 D C 0.383 176.727 176.300 0.073 0.000 0.964 176 D CA 1.307 55.440 54.000 0.221 0.000 0.846 176 D CB 0.350 41.233 40.800 0.138 0.000 0.962 176 D HN 0.222 nan 8.370 nan 0.000 0.490 177 L N -0.483 120.787 121.223 0.078 0.000 2.491 177 L HA 0.434 4.774 4.340 -0.000 0.000 0.254 177 L C -0.890 175.960 176.870 -0.033 0.000 1.048 177 L CA -0.948 53.837 54.840 -0.091 0.000 0.855 177 L CB 2.869 44.901 42.059 -0.045 0.000 1.466 177 L HN -0.377 nan 8.230 nan 0.000 0.409 178 V N 0.241 120.088 119.914 -0.111 0.000 2.769 178 V HA 0.407 4.527 4.120 -0.000 0.000 0.312 178 V C -0.764 175.223 176.094 -0.179 0.000 1.061 178 V CA -0.520 61.705 62.300 -0.124 0.000 0.931 178 V CB 2.054 33.862 31.823 -0.026 0.000 1.010 178 V HN 0.744 nan 8.190 nan 0.000 0.433 179 E N 3.534 123.643 120.200 -0.152 0.000 2.145 179 E HA 0.479 4.829 4.350 -0.000 0.000 0.262 179 E C -1.248 175.303 176.600 -0.082 0.000 0.883 179 E CA -0.610 55.709 56.400 -0.134 0.000 0.748 179 E CB 1.228 30.926 29.700 -0.003 0.000 1.140 179 E HN 0.598 nan 8.360 nan 0.000 0.417 180 L N 4.172 125.348 121.223 -0.078 0.000 2.410 180 L HA 0.115 4.455 4.340 -0.000 0.000 0.273 180 L C 0.471 177.380 176.870 0.066 0.000 1.144 180 L CA -0.324 54.524 54.840 0.013 0.000 0.863 180 L CB 0.241 42.245 42.059 -0.092 0.000 1.140 180 L HN 0.518 nan 8.230 nan 0.000 0.463 181 H N 2.902 122.035 119.070 0.104 0.000 3.014 181 H HA 0.085 4.641 4.556 -0.000 0.000 0.266 181 H C 0.331 175.745 175.328 0.143 0.000 1.455 181 H CA -0.043 56.074 56.048 0.116 0.000 1.402 181 H CB 0.843 30.740 29.762 0.225 0.000 1.626 181 H HN 0.530 nan 8.280 nan 0.000 0.520 182 S N 2.988 118.842 115.700 0.257 0.000 2.561 182 S HA 0.563 5.033 4.470 -0.000 0.000 0.245 182 S C 0.035 174.643 174.600 0.015 0.000 1.001 182 S CA 0.031 58.306 58.200 0.125 0.000 1.002 182 S CB -0.516 62.685 63.200 0.002 0.000 0.805 182 S HN 0.740 nan 8.310 nan 0.000 0.458 183 A N -0.122 122.775 122.820 0.129 0.000 2.437 183 A HA 0.747 5.067 4.320 -0.000 0.000 0.288 183 A C 0.015 177.631 177.584 0.052 0.000 1.201 183 A CA -0.540 51.341 52.037 -0.260 0.000 0.795 183 A CB 0.260 18.899 19.000 -0.603 0.000 1.359 183 A HN 0.682 nan 8.150 nan 0.000 0.435 184 H N -1.062 117.985 119.070 -0.039 0.000 2.899 184 H HA -0.208 4.348 4.556 -0.001 0.000 0.282 184 H C 1.223 176.489 175.328 -0.103 0.000 1.198 184 H CA 1.109 57.224 56.048 0.111 0.000 1.140 184 H CB -1.334 28.625 29.762 0.328 0.000 1.317 184 H HN 2.296 nan 8.280 nan 0.000 0.375 185 G N -1.349 107.653 108.800 0.336 0.000 2.143 185 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.249 185 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.249 185 G C 0.160 174.940 174.900 -0.201 0.000 0.981 185 G CA 0.447 45.544 45.100 -0.005 0.000 0.665 185 G HN 0.371 nan 8.290 nan 0.000 0.528 186 F N -1.156 118.915 119.950 0.201 0.000 2.234 186 F HA 0.646 5.173 4.527 0.001 0.000 0.292 186 F C 1.762 177.658 175.800 0.161 0.000 1.187 186 F CA -0.455 57.612 58.000 0.112 0.000 1.128 186 F CB -0.312 38.692 39.000 0.007 0.000 1.507 186 F HN -0.042 nan 8.300 nan 0.000 0.512 187 L N 0.639 122.099 121.223 0.396 0.000 2.012 187 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 187 L C 1.889 178.973 176.870 0.358 0.000 1.073 187 L CA 1.757 56.781 54.840 0.307 0.000 0.748 187 L CB -0.833 41.340 42.059 0.190 0.000 0.891 187 L HN 0.543 nan 8.230 nan 0.000 0.431 188 L N -1.404 120.012 121.223 0.323 0.000 2.046 188 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 188 L C 2.619 179.680 176.870 0.318 0.000 1.077 188 L CA 1.726 56.713 54.840 0.245 0.000 0.747 188 L CB -0.862 41.275 42.059 0.130 0.000 0.896 188 L HN 0.489 nan 8.230 nan 0.000 0.432 189 H N -0.119 119.059 119.070 0.180 0.000 2.423 189 H HA -0.156 4.399 4.556 -0.001 0.000 0.297 189 H C 2.289 177.697 175.328 0.133 0.000 1.075 189 H CA 1.106 57.234 56.048 0.134 0.000 1.342 189 H CB 0.368 30.185 29.762 0.092 0.000 1.395 189 H HN 0.420 nan 8.280 nan 0.000 0.530 190 Q N -0.351 119.543 119.800 0.158 0.000 2.135 190 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 190 Q C 1.855 177.852 176.000 -0.004 0.000 0.981 190 Q CA 1.691 57.501 55.803 0.013 0.000 0.856 190 Q CB -0.033 28.715 28.738 0.016 0.000 0.902 190 Q HN 0.436 nan 8.270 nan 0.000 0.425 191 F N 0.010 119.988 119.950 0.047 0.000 2.163 191 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 191 F C 1.880 177.725 175.800 0.075 0.000 1.094 191 F CA 0.834 58.872 58.000 0.062 0.000 1.290 191 F CB -0.105 38.946 39.000 0.084 0.000 1.017 191 F HN 0.007 nan 8.300 nan 0.000 0.483 192 L N -1.079 120.313 121.223 0.282 0.000 2.131 192 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 192 L C 1.296 178.249 176.870 0.138 0.000 1.092 192 L CA 0.696 55.670 54.840 0.225 0.000 0.759 192 L CB -0.474 41.758 42.059 0.289 0.000 0.903 192 L HN -0.010 nan 8.230 nan 0.000 0.435 193 S N -0.155 115.576 115.700 0.053 0.000 2.513 193 S HA 0.204 4.674 4.470 -0.000 0.000 0.276 193 S C -1.385 173.199 174.600 -0.027 0.000 1.254 193 S CA -1.647 56.541 58.200 -0.019 0.000 1.053 193 S CB 1.054 64.151 63.200 -0.172 0.000 0.958 193 S HN -0.053 nan 8.310 nan 0.000 0.491 194 P HA -0.100 nan 4.420 nan 0.000 0.222 194 P C 1.438 178.713 177.300 -0.042 0.000 1.147 194 P CA 1.048 64.134 63.100 -0.023 0.000 0.790 194 P CB -0.198 31.496 31.700 -0.011 0.000 0.780 195 S N 0.089 115.760 115.700 -0.048 0.000 2.423 195 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 195 S C 1.879 176.436 174.600 -0.072 0.000 1.014 195 S CA 1.456 59.624 58.200 -0.053 0.000 0.965 195 S CB -1.235 61.935 63.200 -0.049 0.000 0.785 195 S HN 0.305 nan 8.310 nan 0.000 0.495 196 S N 0.135 115.778 115.700 -0.095 0.000 2.540 196 S HA 0.311 4.781 4.470 -0.000 0.000 0.222 196 S C 0.192 174.701 174.600 -0.152 0.000 1.008 196 S CA -0.524 57.605 58.200 -0.118 0.000 0.939 196 S CB -0.282 62.838 63.200 -0.132 0.000 0.865 196 S HN 0.442 nan 8.310 nan 0.000 0.499 197 N N 1.981 120.599 118.700 -0.136 0.000 2.524 197 N HA 0.300 5.040 4.740 -0.000 0.000 0.261 197 N C -0.532 174.916 175.510 -0.102 0.000 0.998 197 N CA -0.206 52.743 53.050 -0.169 0.000 0.915 197 N CB 1.414 39.809 38.487 -0.153 0.000 1.187 197 N HN 0.276 nan 8.380 nan 0.000 0.507 198 Q N 1.692 121.432 119.800 -0.100 0.000 2.175 198 Q HA 0.255 4.595 4.340 -0.000 0.000 0.225 198 Q C -0.158 175.814 176.000 -0.046 0.000 0.837 198 Q CA -0.270 55.496 55.803 -0.061 0.000 1.032 198 Q CB 0.897 29.602 28.738 -0.056 0.000 1.137 198 Q HN 0.344 nan 8.270 nan 0.000 0.483 199 R N 0.827 121.298 120.500 -0.049 0.000 2.694 199 R HA 0.040 4.380 4.340 -0.000 0.000 0.268 199 R C 1.075 177.385 176.300 0.016 0.000 1.061 199 R CA 0.844 56.939 56.100 -0.008 0.000 1.133 199 R CB 0.347 30.664 30.300 0.028 0.000 1.020 199 R HN 0.115 nan 8.270 nan 0.000 0.475 200 T N -3.264 111.305 114.554 0.026 0.000 3.084 200 T HA 0.041 4.391 4.350 -0.000 0.000 0.270 200 T C 0.132 174.856 174.700 0.040 0.000 1.008 200 T CA -0.504 61.610 62.100 0.024 0.000 0.900 200 T CB -0.160 68.715 68.868 0.012 0.000 1.084 200 T HN 0.644 nan 8.240 nan 0.000 0.538 201 D N 1.327 121.771 120.400 0.074 0.000 2.507 201 D HA 0.057 4.697 4.640 -0.000 0.000 0.280 201 D C 1.545 177.893 176.300 0.079 0.000 1.219 201 D CA -0.680 53.377 54.000 0.094 0.000 1.085 201 D CB 0.332 41.222 40.800 0.150 0.000 1.134 201 D HN 0.120 nan 8.370 nan 0.000 0.583 202 Q N -0.905 118.925 119.800 0.050 0.000 2.515 202 Q HA -0.115 4.225 4.340 -0.000 0.000 0.212 202 Q C 0.304 176.159 176.000 -0.242 0.000 0.970 202 Q CA 0.903 56.642 55.803 -0.108 0.000 0.941 202 Q CB -0.506 28.119 28.738 -0.188 0.000 0.998 202 Q HN 0.630 nan 8.270 nan 0.000 0.518 203 Y N 0.309 120.668 120.300 0.099 0.000 2.485 203 Y HA 0.466 5.016 4.550 -0.000 0.000 0.260 203 Y C 1.111 177.108 175.900 0.163 0.000 1.173 203 Y CA 0.058 58.263 58.100 0.175 0.000 1.252 203 Y CB 1.050 39.693 38.460 0.305 0.000 1.123 203 Y HN 0.183 nan 8.280 nan 0.000 0.524 204 G N -1.823 107.075 108.800 0.163 0.000 2.680 204 G HA2 0.541 4.501 3.960 -0.000 0.000 0.290 204 G HA3 0.541 4.501 3.960 -0.000 0.000 0.290 204 G C 0.162 175.082 174.900 0.033 0.000 1.355 204 G CA -0.208 44.944 45.100 0.086 0.000 0.903 204 G HN 0.318 nan 8.290 nan 0.000 0.474 205 G N -0.061 108.746 108.800 0.012 0.000 3.299 205 G HA2 0.053 4.013 3.960 -0.000 0.000 0.251 205 G HA3 0.053 4.013 3.960 -0.000 0.000 0.251 205 G C 1.002 175.890 174.900 -0.019 0.000 1.741 205 G CA 0.752 45.847 45.100 -0.007 0.000 1.151 205 G HN 2.280 nan 8.290 nan 0.000 0.561 206 S N 0.560 116.238 115.700 -0.037 0.000 2.589 206 S HA 0.471 4.941 4.470 -0.000 0.000 0.265 206 S C 1.516 176.067 174.600 -0.082 0.000 1.342 206 S CA 0.632 58.791 58.200 -0.068 0.000 1.005 206 S CB 1.731 64.878 63.200 -0.089 0.000 0.909 206 S HN 1.919 nan 8.310 nan 0.000 0.555 207 V N 1.552 121.384 119.914 -0.137 0.000 2.392 207 V HA -0.166 3.953 4.120 -0.000 0.000 0.249 207 V C 2.303 178.269 176.094 -0.214 0.000 1.059 207 V CA 2.553 64.756 62.300 -0.162 0.000 1.051 207 V CB -1.177 30.508 31.823 -0.230 0.000 0.658 207 V HN 0.963 nan 8.190 nan 0.000 0.455 208 E N 0.523 120.524 120.200 -0.332 0.000 2.085 208 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 208 E C 2.048 178.625 176.600 -0.038 0.000 0.994 208 E CA 1.758 58.038 56.400 -0.199 0.000 0.801 208 E CB -0.359 29.239 29.700 -0.169 0.000 0.743 208 E HN 0.598 nan 8.360 nan 0.000 0.453 209 N N 0.235 118.901 118.700 -0.057 0.000 2.142 209 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 209 N C 1.526 177.068 175.510 0.053 0.000 1.023 209 N CA 0.866 53.890 53.050 -0.043 0.000 0.852 209 N CB -0.075 38.388 38.487 -0.039 0.000 0.998 209 N HN 0.099 nan 8.380 nan 0.000 0.424 210 R N 0.280 120.830 120.500 0.083 0.000 2.115 210 R HA 0.103 4.443 4.340 -0.000 0.000 0.230 210 R C 1.631 178.054 176.300 0.205 0.000 1.111 210 R CA 1.090 57.291 56.100 0.168 0.000 0.976 210 R CB -0.125 30.245 30.300 0.116 0.000 0.870 210 R HN 0.152 nan 8.270 nan 0.000 0.445 211 A N 0.789 123.711 122.820 0.169 0.000 2.218 211 A HA -0.013 4.307 4.320 -0.000 0.000 0.209 211 A C 1.950 179.614 177.584 0.134 0.000 1.168 211 A CA 0.103 52.251 52.037 0.184 0.000 0.804 211 A CB -0.259 18.913 19.000 0.288 0.000 0.834 211 A HN 0.164 nan 8.150 nan 0.000 0.482 212 R N -0.493 120.070 120.500 0.105 0.000 2.083 212 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 212 R C 1.982 178.339 176.300 0.096 0.000 1.137 212 R CA 1.927 58.049 56.100 0.037 0.000 0.951 212 R CB -0.402 29.792 30.300 -0.177 0.000 0.851 212 R HN 0.448 nan 8.270 nan 0.000 0.434 213 L N 0.895 122.214 121.223 0.160 0.000 1.994 213 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 213 L C 2.424 179.242 176.870 -0.086 0.000 1.071 213 L CA 2.014 56.854 54.840 0.001 0.000 0.745 213 L CB -0.650 41.179 42.059 -0.383 0.000 0.892 213 L HN 0.231 nan 8.230 nan 0.000 0.431 214 V N -1.959 117.915 119.914 -0.066 0.000 2.332 214 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 214 V C 2.365 178.400 176.094 -0.097 0.000 1.055 214 V CA 2.197 64.433 62.300 -0.107 0.000 1.038 214 V CB -1.039 30.757 31.823 -0.044 0.000 0.651 214 V HN 0.486 nan 8.190 nan 0.000 0.450 215 L N -0.167 121.034 121.223 -0.037 0.000 2.156 215 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 215 L C 2.870 179.719 176.870 -0.034 0.000 1.095 215 L CA 1.830 56.650 54.840 -0.034 0.000 0.770 215 L CB -0.663 41.391 42.059 -0.009 0.000 0.914 215 L HN 0.375 nan 8.230 nan 0.000 0.439 216 E N -0.258 119.930 120.200 -0.019 0.000 2.077 216 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 216 E C 2.291 178.866 176.600 -0.041 0.000 0.989 216 E CA 1.229 57.624 56.400 -0.008 0.000 0.800 216 E CB -0.034 29.685 29.700 0.033 0.000 0.746 216 E HN 0.249 nan 8.360 nan 0.000 0.452 217 V N 0.782 120.631 119.914 -0.108 0.000 2.295 217 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 217 V C 2.330 178.348 176.094 -0.127 0.000 1.049 217 V CA 1.309 63.505 62.300 -0.173 0.000 1.024 217 V CB -0.333 31.212 31.823 -0.463 0.000 0.648 217 V HN 0.137 nan 8.190 nan 0.000 0.447 218 V N 0.232 120.072 119.914 -0.124 0.000 2.287 218 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 218 V C 2.317 178.385 176.094 -0.044 0.000 1.053 218 V CA 2.300 64.548 62.300 -0.087 0.000 1.027 218 V CB -0.735 31.040 31.823 -0.079 0.000 0.646 218 V HN 0.567 nan 8.190 nan 0.000 0.447 219 D N 0.319 120.700 120.400 -0.032 0.000 2.123 219 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 219 D C 2.232 178.535 176.300 0.006 0.000 0.992 219 D CA 1.730 55.724 54.000 -0.011 0.000 0.833 219 D CB -0.342 40.455 40.800 -0.005 0.000 0.954 219 D HN 0.454 nan 8.370 nan 0.000 0.455 220 A N 0.797 123.623 122.820 0.010 0.000 1.902 220 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 220 A C 2.483 180.098 177.584 0.052 0.000 1.181 220 A CA 2.135 54.192 52.037 0.034 0.000 0.623 220 A CB -0.752 18.275 19.000 0.045 0.000 0.818 220 A HN 0.246 nan 8.150 nan 0.000 0.443 221 V N -3.271 116.671 119.914 0.047 0.000 2.591 221 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 221 V C 2.234 178.378 176.094 0.083 0.000 1.053 221 V CA 1.540 63.889 62.300 0.081 0.000 1.068 221 V CB -1.590 30.279 31.823 0.077 0.000 0.689 221 V HN 0.523 nan 8.190 nan 0.000 0.462 222 C N 1.223 120.544 119.300 0.036 0.000 2.429 222 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 222 C C 2.821 177.844 174.990 0.055 0.000 1.262 222 C CA 1.538 60.571 59.018 0.025 0.000 1.733 222 C CB -1.618 26.118 27.740 -0.007 0.000 2.010 222 C HN 0.676 nan 8.230 nan 0.000 0.483 223 N N 0.649 119.381 118.700 0.053 0.000 2.188 223 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 223 N C 1.756 177.316 175.510 0.084 0.000 1.018 223 N CA 1.267 54.351 53.050 0.056 0.000 0.858 223 N CB -0.459 38.053 38.487 0.041 0.000 0.989 223 N HN 0.575 nan 8.380 nan 0.000 0.426 224 E N -0.199 120.062 120.200 0.102 0.000 2.051 224 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 224 E C 1.285 177.991 176.600 0.177 0.000 0.991 224 E CA 1.151 57.617 56.400 0.111 0.000 0.799 224 E CB -0.054 29.710 29.700 0.106 0.000 0.748 224 E HN 0.322 nan 8.360 nan 0.000 0.449 225 W N -0.471 120.830 121.300 0.002 0.000 4.432 225 W HA 0.552 5.212 4.660 0.000 0.000 0.381 225 W C -0.165 176.351 176.519 -0.006 0.000 3.372 225 W CA 0.481 57.826 57.345 -0.000 0.000 1.285 225 W CB 0.055 29.514 29.460 -0.002 0.000 2.109 225 W HN -0.065 nan 8.180 nan 0.000 0.373 226 S N -1.033 114.732 115.700 0.108 0.000 2.537 226 S HA 0.507 4.977 4.470 -0.000 0.000 0.271 226 S C 0.307 174.818 174.600 -0.149 0.000 1.148 226 S CA 0.020 58.188 58.200 -0.053 0.000 0.868 226 S CB 1.062 64.189 63.200 -0.123 0.000 1.115 226 S HN 0.552 nan 8.310 nan 0.000 0.461 227 A N 2.178 124.939 122.820 -0.099 0.000 1.978 227 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 227 A C 1.470 178.960 177.584 -0.156 0.000 1.170 227 A CA 2.215 54.187 52.037 -0.108 0.000 0.636 227 A CB -0.800 18.158 19.000 -0.071 0.000 0.810 227 A HN 0.941 nan 8.150 nan 0.000 0.448 228 D N -1.326 118.969 120.400 -0.174 0.000 2.378 228 D HA -0.074 4.565 4.640 -0.000 0.000 0.227 228 D C 1.297 177.426 176.300 -0.284 0.000 1.012 228 D CA 0.312 54.204 54.000 -0.181 0.000 0.905 228 D CB -0.246 40.472 40.800 -0.136 0.000 0.895 228 D HN 0.311 nan 8.370 nan 0.000 0.532 229 R N -0.072 120.164 120.500 -0.440 0.000 2.397 229 R HA 0.231 4.570 4.340 -0.000 0.000 0.241 229 R C 0.011 176.038 176.300 -0.455 0.000 0.914 229 R CA -0.250 55.456 56.100 -0.657 0.000 1.071 229 R CB 0.954 30.359 30.300 -1.492 0.000 1.116 229 R HN 0.198 nan 8.270 nan 0.000 0.524 230 I N 0.593 120.967 120.570 -0.326 0.000 2.378 230 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 230 I C 0.716 176.583 176.117 -0.416 0.000 0.992 230 I CA -0.809 60.317 61.300 -0.290 0.000 1.154 230 I CB 1.185 39.075 38.000 -0.183 0.000 1.315 230 I HN -0.061 nan 8.210 nan 0.000 0.448 231 G N 5.860 114.265 108.800 -0.659 0.000 2.644 231 G HA2 0.826 4.786 3.960 -0.000 0.000 0.307 231 G HA3 0.826 4.786 3.960 -0.000 0.000 0.307 231 G C -1.346 173.217 174.900 -0.561 0.000 1.250 231 G CA -0.580 43.833 45.100 -1.144 0.000 0.996 231 G HN 0.531 nan 8.290 nan 0.000 0.489 232 I N -0.569 119.767 120.570 -0.389 0.000 2.692 232 I HA 0.555 4.725 4.170 -0.000 0.000 0.293 232 I C -0.767 175.308 176.117 -0.069 0.000 1.200 232 I CA -1.025 60.169 61.300 -0.177 0.000 1.036 232 I CB 2.165 40.069 38.000 -0.160 0.000 1.258 232 I HN 0.483 nan 8.210 nan 0.000 0.421 233 R N 6.632 127.072 120.500 -0.100 0.000 2.294 233 R HA 0.730 5.069 4.340 -0.000 0.000 0.319 233 R C -1.327 174.845 176.300 -0.213 0.000 0.984 233 R CA -0.530 55.452 56.100 -0.196 0.000 0.861 233 R CB 1.526 31.576 30.300 -0.416 0.000 1.104 233 R HN 0.509 nan 8.270 nan 0.000 0.451 234 V N 0.652 120.429 119.914 -0.228 0.000 3.001 234 V HA 0.691 4.811 4.120 -0.000 0.000 0.314 234 V C -0.461 175.437 176.094 -0.327 0.000 1.099 234 V CA -0.762 61.390 62.300 -0.247 0.000 0.989 234 V CB 2.137 33.874 31.823 -0.143 0.000 1.040 234 V HN 0.829 nan 8.190 nan 0.000 0.434 235 S N 0.864 116.278 115.700 -0.475 0.000 2.204 235 S HA 0.500 4.970 4.470 -0.000 0.000 0.147 235 S C -2.121 172.282 174.600 -0.329 0.000 1.711 235 S CA -0.722 57.122 58.200 -0.594 0.000 1.274 235 S CB 1.201 63.585 63.200 -1.361 0.000 1.257 235 S HN 0.779 nan 8.310 nan 0.000 0.404 236 P HA 0.342 nan 4.420 nan 0.000 0.261 236 P C -0.312 177.094 177.300 0.177 0.000 1.268 236 P CA 0.026 63.186 63.100 0.099 0.000 0.833 236 P CB 0.251 32.010 31.700 0.099 0.000 1.231 237 I N 0.213 120.941 120.570 0.264 0.000 2.418 237 I HA 0.563 4.733 4.170 -0.000 0.000 0.287 237 I C 0.913 177.264 176.117 0.390 0.000 1.008 237 I CA -0.117 61.300 61.300 0.194 0.000 1.104 237 I CB 0.750 38.742 38.000 -0.014 0.000 1.264 237 I HN 0.149 nan 8.210 nan 0.000 0.438 238 G N 5.243 114.194 108.800 0.252 0.000 2.466 238 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.316 238 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.316 238 G C -0.773 174.212 174.900 0.142 0.000 1.270 238 G CA -0.880 44.297 45.100 0.130 0.000 0.982 238 G HN 0.532 nan 8.290 nan 0.000 0.506 239 T N 0.565 115.033 114.554 -0.144 0.000 2.824 239 T HA 0.680 5.030 4.350 -0.000 0.000 0.282 239 T C -1.169 173.324 174.700 -0.345 0.000 0.993 239 T CA -0.063 61.999 62.100 -0.063 0.000 0.967 239 T CB 1.094 69.927 68.868 -0.058 0.000 0.960 239 T HN 0.586 nan 8.240 nan 0.000 0.441 240 F N 1.970 121.995 119.950 0.125 0.000 2.536 240 F HA 0.369 4.896 4.527 -0.000 0.000 0.322 240 F C 0.801 176.634 175.800 0.056 0.000 1.144 240 F CA -0.938 57.136 58.000 0.122 0.000 0.924 240 F CB 1.663 40.816 39.000 0.256 0.000 1.181 240 F HN 0.539 nan 8.300 nan 0.000 0.438 241 Q N 3.060 122.939 119.800 0.131 0.000 2.435 241 Q HA -0.335 4.005 4.340 -0.000 0.000 0.312 241 Q C -0.013 176.001 176.000 0.023 0.000 1.333 241 Q CA 0.783 56.619 55.803 0.055 0.000 0.883 241 Q CB -1.179 27.561 28.738 0.003 0.000 1.170 241 Q HN 0.906 nan 8.270 nan 0.000 0.443 242 N N -3.300 115.413 118.700 0.022 0.000 2.936 242 N HA -0.159 4.581 4.740 -0.000 0.000 0.236 242 N C -0.543 174.963 175.510 -0.007 0.000 0.930 242 N CA 1.220 54.271 53.050 0.000 0.000 0.966 242 N CB -1.110 37.370 38.487 -0.012 0.000 1.090 242 N HN 0.271 nan 8.380 nan 0.000 0.592 243 V N 2.442 122.362 119.914 0.011 0.000 2.334 243 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 243 V C 0.532 176.650 176.094 0.039 0.000 1.040 243 V CA -0.728 61.540 62.300 -0.053 0.000 0.866 243 V CB 1.249 32.952 31.823 -0.201 0.000 1.019 243 V HN 0.234 nan 8.190 nan 0.000 0.468 244 D N 3.622 124.035 120.400 0.021 0.000 2.478 244 D HA 0.160 4.800 4.640 -0.000 0.000 0.269 244 D C 0.441 176.799 176.300 0.096 0.000 1.232 244 D CA -0.705 53.346 54.000 0.084 0.000 1.059 244 D CB 0.644 41.468 40.800 0.041 0.000 1.104 244 D HN 0.226 nan 8.370 nan 0.000 0.566 245 N N -1.044 117.740 118.700 0.141 0.000 2.204 245 N HA 0.281 5.021 4.740 -0.000 0.000 0.219 245 N C 0.445 176.004 175.510 0.081 0.000 1.151 245 N CA 0.515 53.656 53.050 0.152 0.000 0.867 245 N CB 0.788 39.405 38.487 0.216 0.000 1.043 245 N HN 0.753 nan 8.380 nan 0.000 0.516 246 G N 2.081 110.909 108.800 0.047 0.000 2.796 246 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.571 246 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.571 246 G C -2.055 172.855 174.900 0.016 0.000 1.370 246 G CA -0.543 44.571 45.100 0.023 0.000 0.856 246 G HN 0.028 nan 8.290 nan 0.000 0.538 247 P HA 0.046 nan 4.420 nan 0.000 0.233 247 P C 0.574 177.872 177.300 -0.002 0.000 1.167 247 P CA 1.029 64.129 63.100 -0.001 0.000 0.770 247 P CB -0.019 31.678 31.700 -0.004 0.000 0.837 248 N N -0.012 118.690 118.700 0.003 0.000 2.553 248 N HA 0.031 4.771 4.740 -0.000 0.000 0.298 248 N C 1.192 176.710 175.510 0.013 0.000 1.596 248 N CA -0.255 52.797 53.050 0.004 0.000 0.910 248 N CB 0.228 38.717 38.487 0.004 0.000 1.336 248 N HN 0.219 nan 8.380 nan 0.000 0.497 249 E N 0.668 120.871 120.200 0.004 0.000 2.110 249 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 249 E C 1.440 178.038 176.600 -0.004 0.000 0.988 249 E CA 1.092 57.500 56.400 0.014 0.000 0.804 249 E CB 0.064 29.770 29.700 0.010 0.000 0.745 249 E HN 0.524 nan 8.360 nan 0.000 0.458 250 E N 1.130 121.297 120.200 -0.055 0.000 2.028 250 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 250 E C 2.170 178.830 176.600 0.101 0.000 0.988 250 E CA 1.181 57.551 56.400 -0.049 0.000 0.799 250 E CB -0.203 29.430 29.700 -0.111 0.000 0.755 250 E HN 0.348 nan 8.360 nan 0.000 0.447 251 A N 1.149 124.013 122.820 0.073 0.000 1.902 251 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 251 A C 1.807 179.467 177.584 0.127 0.000 1.181 251 A CA 1.948 54.042 52.037 0.095 0.000 0.623 251 A CB -0.569 18.465 19.000 0.058 0.000 0.818 251 A HN 0.300 nan 8.150 nan 0.000 0.443 252 D N -0.038 120.425 120.400 0.106 0.000 2.144 252 D HA 0.007 4.647 4.640 -0.000 0.000 0.200 252 D C 2.204 178.620 176.300 0.193 0.000 0.978 252 D CA 1.355 55.438 54.000 0.138 0.000 0.833 252 D CB -0.389 40.467 40.800 0.094 0.000 0.961 252 D HN 0.426 nan 8.370 nan 0.000 0.470 253 A N 0.650 123.569 122.820 0.166 0.000 1.877 253 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 253 A C 2.335 180.010 177.584 0.151 0.000 1.186 253 A CA 0.894 53.036 52.037 0.174 0.000 0.620 253 A CB -0.757 18.386 19.000 0.238 0.000 0.822 253 A HN 0.208 nan 8.150 nan 0.000 0.443 254 L N -1.999 119.326 121.223 0.169 0.000 2.093 254 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 254 L C 2.592 179.514 176.870 0.087 0.000 1.085 254 L CA 1.662 56.562 54.840 0.099 0.000 0.755 254 L CB -0.709 41.414 42.059 0.107 0.000 0.904 254 L HN 0.621 nan 8.230 nan 0.000 0.435 255 Y N 0.959 121.283 120.300 0.040 0.000 2.097 255 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 255 Y C 2.420 178.337 175.900 0.028 0.000 1.152 255 Y CA 1.820 59.939 58.100 0.031 0.000 1.136 255 Y CB -0.291 38.187 38.460 0.031 0.000 0.975 255 Y HN 0.043 nan 8.280 nan 0.000 0.498 256 L N 0.546 121.762 121.223 -0.012 0.000 2.046 256 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 256 L C 2.195 178.977 176.870 -0.147 0.000 1.077 256 L CA 1.867 56.644 54.840 -0.105 0.000 0.747 256 L CB -0.855 41.240 42.059 0.061 0.000 0.896 256 L HN 0.415 nan 8.230 nan 0.000 0.432 257 I N -0.662 119.857 120.570 -0.084 0.000 2.252 257 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 257 I C 2.400 178.491 176.117 -0.044 0.000 1.102 257 I CA 1.253 62.511 61.300 -0.070 0.000 1.385 257 I CB -0.380 37.575 38.000 -0.076 0.000 1.064 257 I HN 0.343 nan 8.210 nan 0.000 0.414 258 E N 0.515 120.655 120.200 -0.099 0.000 2.085 258 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 258 E C 2.105 178.624 176.600 -0.136 0.000 0.994 258 E CA 1.024 57.364 56.400 -0.101 0.000 0.801 258 E CB -0.019 29.618 29.700 -0.105 0.000 0.743 258 E HN 0.414 nan 8.360 nan 0.000 0.453 259 E N 0.660 120.699 120.200 -0.269 0.000 2.072 259 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 259 E C 2.304 178.843 176.600 -0.102 0.000 0.985 259 E CA 0.653 56.910 56.400 -0.237 0.000 0.801 259 E CB -0.200 29.267 29.700 -0.388 0.000 0.750 259 E HN 0.308 nan 8.360 nan 0.000 0.452 260 L N 0.528 121.715 121.223 -0.060 0.000 2.083 260 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 260 L C 2.525 179.460 176.870 0.110 0.000 1.083 260 L CA 1.154 56.013 54.840 0.032 0.000 0.752 260 L CB -0.523 41.564 42.059 0.046 0.000 0.899 260 L HN 0.057 nan 8.230 nan 0.000 0.433 261 A N 0.047 122.938 122.820 0.119 0.000 1.972 261 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 261 A C 2.275 179.855 177.584 -0.005 0.000 1.169 261 A CA 1.502 53.556 52.037 0.028 0.000 0.635 261 A CB -0.337 18.645 19.000 -0.030 0.000 0.810 261 A HN 0.343 nan 8.150 nan 0.000 0.446 262 K N -0.823 119.573 120.400 -0.006 0.000 2.209 262 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 262 K C 1.838 178.425 176.600 -0.021 0.000 1.048 262 K CA 1.371 57.649 56.287 -0.015 0.000 0.940 262 K CB -0.096 32.389 32.500 -0.026 0.000 0.729 262 K HN 0.238 nan 8.250 nan 0.000 0.451 263 R N -0.398 120.091 120.500 -0.018 0.000 2.299 263 R HA 0.057 4.397 4.340 -0.000 0.000 0.197 263 R C 0.889 177.167 176.300 -0.035 0.000 0.971 263 R CA 0.657 56.744 56.100 -0.023 0.000 1.030 263 R CB 0.027 30.316 30.300 -0.018 0.000 0.932 263 R HN 0.341 nan 8.270 nan 0.000 0.477 264 G N 1.728 110.497 108.800 -0.052 0.000 2.249 264 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.273 264 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.273 264 G C 0.319 175.170 174.900 -0.081 0.000 1.036 264 G CA 0.527 45.575 45.100 -0.088 0.000 0.824 264 G HN 0.474 nan 8.290 nan 0.000 0.504 265 I N -3.077 117.472 120.570 -0.035 0.000 3.004 265 I HA 0.651 4.821 4.170 -0.000 0.000 0.287 265 I C 1.596 177.729 176.117 0.026 0.000 1.144 265 I CA -0.217 61.077 61.300 -0.011 0.000 1.353 265 I CB 0.539 38.550 38.000 0.019 0.000 1.417 265 I HN 0.139 nan 8.210 nan 0.000 0.602 266 A N 3.127 125.939 122.820 -0.013 0.000 1.898 266 A HA 0.030 4.349 4.320 -0.000 0.000 0.216 266 A C 0.653 178.400 177.584 0.273 0.000 1.181 266 A CA 1.744 53.811 52.037 0.051 0.000 0.620 266 A CB -0.605 18.388 19.000 -0.011 0.000 0.819 266 A HN 0.947 nan 8.150 nan 0.000 0.442 267 Y N -4.345 116.076 120.300 0.202 0.000 2.624 267 Y HA 0.654 5.204 4.550 -0.001 0.000 0.334 267 Y C -1.518 174.389 175.900 0.012 0.000 1.155 267 Y CA -2.413 55.815 58.100 0.212 0.000 1.046 267 Y CB 0.704 39.216 38.460 0.087 0.000 1.316 267 Y HN 0.114 nan 8.280 nan 0.000 0.457 268 L N 3.285 124.543 121.223 0.057 0.000 2.343 268 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 268 L C -1.462 175.429 176.870 0.035 0.000 0.996 268 L CA -0.359 54.303 54.840 -0.297 0.000 0.831 268 L CB 1.155 42.553 42.059 -1.102 0.000 1.232 268 L HN 0.941 nan 8.230 nan 0.000 0.413 269 H N 6.350 125.433 119.070 0.023 0.000 2.595 269 H HA 0.483 5.039 4.556 -0.000 0.000 0.313 269 H C -1.047 174.233 175.328 -0.081 0.000 1.023 269 H CA -1.062 54.971 56.048 -0.025 0.000 1.218 269 H CB 0.960 30.759 29.762 0.062 0.000 1.403 269 H HN 0.510 nan 8.280 nan 0.000 0.477 270 M N 4.121 123.818 119.600 0.162 0.000 2.061 270 M HA 0.084 4.564 4.480 -0.000 0.000 0.346 270 M C 0.096 176.431 176.300 0.058 0.000 1.112 270 M CA -0.309 55.041 55.300 0.084 0.000 1.021 270 M CB 1.171 33.871 32.600 0.168 0.000 1.530 270 M HN 0.447 nan 8.290 nan 0.000 0.437 271 S N 2.945 118.616 115.700 -0.049 0.000 2.405 271 S HA 0.161 4.631 4.470 -0.000 0.000 0.291 271 S C 0.971 175.663 174.600 0.153 0.000 1.137 271 S CA -0.293 57.927 58.200 0.032 0.000 1.061 271 S CB 0.270 63.487 63.200 0.028 0.000 1.001 271 S HN 0.675 nan 8.310 nan 0.000 0.507 272 E N 2.616 122.882 120.200 0.110 0.000 2.170 272 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 272 E C 0.379 177.128 176.600 0.249 0.000 0.981 272 E CA 0.612 56.983 56.400 -0.047 0.000 0.830 272 E CB 0.308 29.709 29.700 -0.497 0.000 0.775 272 E HN 0.790 nan 8.360 nan 0.000 0.470 273 T N -1.594 113.145 114.554 0.309 0.000 2.916 273 T HA 0.184 4.534 4.350 -0.000 0.000 0.305 273 T C -0.804 174.052 174.700 0.259 0.000 1.119 273 T CA -1.090 61.144 62.100 0.224 0.000 1.008 273 T CB 2.378 71.293 68.868 0.079 0.000 1.129 273 T HN -0.143 nan 8.240 nan 0.000 0.480 274 D N 0.604 120.934 120.400 -0.117 0.000 2.368 274 D HA 0.108 4.748 4.640 -0.000 0.000 0.240 274 D C 1.251 177.554 176.300 0.005 0.000 1.169 274 D CA -0.394 53.533 54.000 -0.121 0.000 0.906 274 D CB 0.911 41.466 40.800 -0.408 0.000 1.187 274 D HN 0.563 nan 8.370 nan 0.000 0.435 275 L N 2.217 123.468 121.223 0.046 0.000 2.187 275 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 275 L C 2.260 179.157 176.870 0.046 0.000 1.100 275 L CA 1.258 56.141 54.840 0.072 0.000 0.765 275 L CB -0.326 41.798 42.059 0.108 0.000 0.904 275 L HN 0.423 nan 8.230 nan 0.000 0.437 276 A N -0.443 122.383 122.820 0.008 0.000 2.251 276 A HA 0.439 4.759 4.320 -0.000 0.000 0.209 276 A C 1.112 178.685 177.584 -0.018 0.000 1.187 276 A CA 0.663 52.700 52.037 0.000 0.000 0.823 276 A CB -0.274 18.719 19.000 -0.011 0.000 0.846 276 A HN 0.461 nan 8.150 nan 0.000 0.486 277 G N -2.966 105.816 108.800 -0.029 0.000 2.555 277 G HA2 0.501 4.461 3.960 -0.000 0.000 0.686 277 G HA3 0.501 4.461 3.960 -0.000 0.000 0.686 277 G C -0.124 174.740 174.900 -0.061 0.000 1.275 277 G CA -0.496 44.587 45.100 -0.027 0.000 0.871 277 G HN 1.921 nan 8.290 nan 0.000 0.603 278 G N -1.481 107.299 108.800 -0.034 0.000 2.451 278 G HA2 0.913 4.873 3.960 -0.000 0.000 0.292 278 G HA3 0.913 4.873 3.960 -0.000 0.000 0.292 278 G C -0.328 174.579 174.900 0.011 0.000 1.427 278 G CA 0.547 45.629 45.100 -0.031 0.000 0.792 278 G HN 2.007 nan 8.290 nan 0.000 0.498 279 K N 1.100 121.516 120.400 0.027 0.000 2.412 279 K HA 0.649 4.969 4.320 -0.000 0.000 0.281 279 K C -1.717 174.941 176.600 0.097 0.000 1.027 279 K CA -0.857 55.456 56.287 0.044 0.000 0.989 279 K CB -0.438 nan 32.500 nan 0.000 0.935 279 K HN 0.620 nan 8.250 nan 0.000 0.475 280 P HA 0.114 nan 4.420 nan 0.000 0.271 280 P C -0.827 176.619 177.300 0.244 0.000 1.218 280 P CA -0.424 62.748 63.100 0.119 0.000 0.780 280 P CB 0.190 31.923 31.700 0.054 0.000 0.901 281 Y N 0.597 120.935 120.300 0.063 0.000 2.526 281 Y HA 0.051 4.602 4.550 0.001 0.000 0.330 281 Y C 1.690 177.658 175.900 0.112 0.000 1.156 281 Y CA -0.558 57.617 58.100 0.126 0.000 1.419 281 Y CB -0.231 38.371 38.460 0.238 0.000 1.250 281 Y HN 0.335 nan 8.280 nan 0.000 0.540 282 S N 1.033 116.874 115.700 0.236 0.000 2.603 282 S HA 0.331 4.801 4.470 -0.000 0.000 0.268 282 S C 1.203 175.919 174.600 0.193 0.000 1.317 282 S CA -0.220 58.081 58.200 0.167 0.000 1.012 282 S CB 1.260 64.528 63.200 0.114 0.000 0.926 282 S HN 0.758 nan 8.310 nan 0.000 0.539 283 E N 1.620 121.896 120.200 0.126 0.000 2.153 283 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 283 E C 2.285 178.939 176.600 0.090 0.000 0.988 283 E CA 1.653 58.114 56.400 0.101 0.000 0.811 283 E CB -1.343 28.395 29.700 0.064 0.000 0.746 283 E HN 1.037 nan 8.360 nan 0.000 0.466 284 A N -0.231 122.645 122.820 0.095 0.000 1.902 284 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 284 A C 2.205 179.853 177.584 0.107 0.000 1.181 284 A CA 1.644 53.731 52.037 0.084 0.000 0.623 284 A CB -0.587 18.461 19.000 0.080 0.000 0.818 284 A HN 0.620 nan 8.150 nan 0.000 0.443 285 F N 0.755 120.699 119.950 -0.010 0.000 2.146 285 F HA -0.115 4.413 4.527 0.001 0.000 0.298 285 F C 2.369 178.155 175.800 -0.023 0.000 1.096 285 F CA 1.642 59.612 58.000 -0.049 0.000 1.275 285 F CB -0.300 38.622 39.000 -0.129 0.000 1.008 285 F HN 0.115 nan 8.300 nan 0.000 0.480 286 R N -0.120 120.362 120.500 -0.029 0.000 2.105 286 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 286 R C 2.227 178.454 176.300 -0.122 0.000 1.135 286 R CA 1.619 57.670 56.100 -0.082 0.000 0.967 286 R CB -0.579 29.771 30.300 0.083 0.000 0.861 286 R HN 0.423 nan 8.270 nan 0.000 0.442 287 Q N 0.751 120.513 119.800 -0.064 0.000 2.079 287 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 287 Q C 1.927 177.874 176.000 -0.089 0.000 0.974 287 Q CA 1.314 57.087 55.803 -0.051 0.000 0.840 287 Q CB -0.055 28.676 28.738 -0.012 0.000 0.898 287 Q HN 0.377 nan 8.270 nan 0.000 0.430 288 K N 0.089 120.413 120.400 -0.126 0.000 2.097 288 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 288 K C 2.192 178.666 176.600 -0.210 0.000 1.049 288 K CA 1.074 57.279 56.287 -0.136 0.000 0.933 288 K CB -0.023 32.418 32.500 -0.098 0.000 0.717 288 K HN -0.017 nan 8.250 nan 0.000 0.442 289 V N 1.169 120.864 119.914 -0.365 0.000 2.307 289 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 289 V C 2.331 178.336 176.094 -0.149 0.000 1.045 289 V CA 1.676 63.783 62.300 -0.321 0.000 1.024 289 V CB -0.408 31.143 31.823 -0.453 0.000 0.651 289 V HN 0.220 nan 8.190 nan 0.000 0.449 290 R N 1.435 121.865 120.500 -0.116 0.000 2.096 290 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 290 R C 2.219 178.488 176.300 -0.052 0.000 1.127 290 R CA 2.085 58.156 56.100 -0.048 0.000 0.968 290 R CB -0.576 29.704 30.300 -0.033 0.000 0.861 290 R HN 0.791 nan 8.270 nan 0.000 0.440 291 E N -0.791 119.374 120.200 -0.058 0.000 2.427 291 E HA -0.116 4.233 4.350 -0.000 0.000 0.196 291 E C 1.441 177.990 176.600 -0.086 0.000 1.028 291 E CA 0.596 56.974 56.400 -0.037 0.000 0.864 291 E CB -0.027 29.666 29.700 -0.012 0.000 0.813 291 E HN 0.274 nan 8.360 nan 0.000 0.514 292 R N -0.637 119.787 120.500 -0.126 0.000 2.290 292 R HA 0.214 4.554 4.340 -0.000 0.000 0.197 292 R C -0.454 175.680 176.300 -0.277 0.000 0.913 292 R CA 0.035 56.043 56.100 -0.153 0.000 1.040 292 R CB 0.369 30.623 30.300 -0.077 0.000 0.992 292 R HN 0.082 nan 8.270 nan 0.000 0.500 293 F N 0.049 119.703 119.950 -0.494 0.000 2.529 293 F HA 0.311 4.838 4.527 -0.000 0.000 0.320 293 F C 0.332 175.824 175.800 -0.513 0.000 1.118 293 F CA -0.976 56.747 58.000 -0.462 0.000 0.915 293 F CB 1.329 40.197 39.000 -0.220 0.000 1.161 293 F HN -0.033 nan 8.300 nan 0.000 0.445 294 H N 3.553 122.182 119.070 -0.734 0.000 2.672 294 H HA 0.329 4.885 4.556 0.000 0.000 0.277 294 H C 0.809 175.856 175.328 -0.470 0.000 1.074 294 H CA 0.351 56.135 56.048 -0.441 0.000 1.173 294 H CB 0.486 30.059 29.762 -0.316 0.000 1.558 294 H HN 0.673 nan 8.280 nan 0.000 0.539 295 G N 0.413 108.761 108.800 -0.754 0.000 2.702 295 G HA2 0.372 4.332 3.960 -0.000 0.000 0.254 295 G HA3 0.372 4.332 3.960 -0.000 0.000 0.254 295 G C -0.376 174.639 174.900 0.192 0.000 1.380 295 G CA -0.451 44.522 45.100 -0.211 0.000 1.042 295 G HN 0.033 nan 8.290 nan 0.000 0.557 296 V N 0.400 120.485 119.914 0.285 0.000 2.637 296 V HA 0.219 4.339 4.120 -0.000 0.000 0.296 296 V C 0.103 176.349 176.094 0.253 0.000 1.046 296 V CA 0.308 62.736 62.300 0.212 0.000 1.066 296 V CB 0.942 32.854 31.823 0.150 0.000 0.968 296 V HN 0.346 nan 8.190 nan 0.000 0.483 297 I N 5.998 126.618 120.570 0.083 0.000 2.362 297 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 297 I C -0.422 175.597 176.117 -0.163 0.000 0.994 297 I CA -0.289 60.999 61.300 -0.021 0.000 1.158 297 I CB 1.537 39.532 38.000 -0.007 0.000 1.315 297 I HN 0.412 nan 8.210 nan 0.000 0.451 298 I N 5.298 125.727 120.570 -0.235 0.000 2.354 298 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 298 I C 0.670 176.600 176.117 -0.312 0.000 0.989 298 I CA -0.380 60.657 61.300 -0.438 0.000 1.188 298 I CB 1.692 39.253 38.000 -0.733 0.000 1.342 298 I HN 0.588 nan 8.210 nan 0.000 0.457 299 G N 4.251 112.797 108.800 -0.423 0.000 2.389 299 G HA2 0.795 4.755 3.960 -0.000 0.000 0.328 299 G HA3 0.795 4.755 3.960 -0.000 0.000 0.328 299 G C -1.025 173.490 174.900 -0.640 0.000 1.133 299 G CA -0.405 44.463 45.100 -0.386 0.000 0.891 299 G HN 0.803 nan 8.290 nan 0.000 0.485 300 A N -0.177 122.498 122.820 -0.242 0.000 2.594 300 A HA 0.977 5.297 4.320 -0.000 0.000 0.295 300 A C -0.072 177.616 177.584 0.172 0.000 1.071 300 A CA -0.105 51.857 52.037 -0.125 0.000 0.685 300 A CB 1.638 20.691 19.000 0.089 0.000 1.285 300 A HN 2.521 nan 8.150 nan 0.000 0.405 301 G N -0.191 108.753 108.800 0.240 0.000 2.673 301 G HA2 0.566 4.526 3.960 -0.000 0.000 0.566 301 G HA3 0.566 4.526 3.960 -0.000 0.000 0.566 301 G C 0.590 175.617 174.900 0.213 0.000 1.170 301 G CA 0.848 46.077 45.100 0.215 0.000 1.242 301 G HN 2.634 nan 8.290 nan 0.000 0.568 302 A N 0.222 123.159 122.820 0.195 0.000 2.832 302 A HA -0.179 4.141 4.320 -0.000 0.000 0.280 302 A C 0.641 178.324 177.584 0.164 0.000 1.464 302 A CA 1.618 53.749 52.037 0.157 0.000 0.804 302 A CB -2.167 16.883 19.000 0.083 0.000 1.020 302 A HN 2.039 nan 8.150 nan 0.000 0.563 303 Y N 0.730 121.061 120.300 0.051 0.000 2.457 303 Y HA 0.406 4.956 4.550 0.000 0.000 0.341 303 Y C 1.634 177.685 175.900 0.251 0.000 1.240 303 Y CA 1.172 59.305 58.100 0.054 0.000 1.437 303 Y CB 0.651 39.015 38.460 -0.159 0.000 1.328 303 Y HN 0.650 nan 8.280 nan 0.000 0.588 304 T N -1.574 113.168 114.554 0.314 0.000 2.948 304 T HA 0.622 4.972 4.350 -0.000 0.000 0.285 304 T C 1.041 175.962 174.700 0.368 0.000 1.019 304 T CA -0.431 61.851 62.100 0.304 0.000 1.013 304 T CB 1.566 70.509 68.868 0.124 0.000 1.117 304 T HN 0.677 nan 8.240 nan 0.000 0.533 305 A N 0.445 123.418 122.820 0.256 0.000 1.940 305 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 305 A C 2.536 180.201 177.584 0.135 0.000 1.176 305 A CA 2.327 54.489 52.037 0.209 0.000 0.631 305 A CB -1.816 17.238 19.000 0.091 0.000 0.814 305 A HN 1.181 nan 8.150 nan 0.000 0.446 306 E N 0.240 120.498 120.200 0.096 0.000 2.051 306 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 306 E C 2.077 178.705 176.600 0.048 0.000 0.991 306 E CA 1.924 58.358 56.400 0.057 0.000 0.799 306 E CB -0.661 29.061 29.700 0.037 0.000 0.748 306 E HN 0.783 nan 8.360 nan 0.000 0.449 307 K N -0.272 120.156 120.400 0.047 0.000 2.057 307 K HA 0.041 4.361 4.320 -0.000 0.000 0.206 307 K C 2.517 179.162 176.600 0.075 0.000 1.050 307 K CA 1.124 57.404 56.287 -0.012 0.000 0.935 307 K CB -0.342 32.056 32.500 -0.170 0.000 0.715 307 K HN 0.323 nan 8.250 nan 0.000 0.439 308 A N 1.722 124.662 122.820 0.201 0.000 1.877 308 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 308 A C 1.944 179.554 177.584 0.043 0.000 1.186 308 A CA 1.614 53.754 52.037 0.172 0.000 0.620 308 A CB -0.505 18.562 19.000 0.110 0.000 0.822 308 A HN 0.369 nan 8.150 nan 0.000 0.443 309 E N -0.167 120.049 120.200 0.026 0.000 2.085 309 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 309 E C 1.707 178.308 176.600 0.001 0.000 0.994 309 E CA 1.606 58.001 56.400 -0.008 0.000 0.801 309 E CB -0.425 29.277 29.700 0.003 0.000 0.743 309 E HN 0.756 nan 8.360 nan 0.000 0.453 310 D N 0.421 120.830 120.400 0.014 0.000 2.097 310 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 310 D C 2.103 178.409 176.300 0.010 0.000 0.989 310 D CA 0.937 54.943 54.000 0.010 0.000 0.827 310 D CB -0.050 40.753 40.800 0.005 0.000 0.966 310 D HN 0.072 nan 8.370 nan 0.000 0.456 311 L N -0.104 121.132 121.223 0.023 0.000 2.179 311 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 311 L C 2.458 179.330 176.870 0.004 0.000 1.096 311 L CA 0.370 55.227 54.840 0.028 0.000 0.779 311 L CB -0.223 41.878 42.059 0.071 0.000 0.922 311 L HN 0.156 nan 8.230 nan 0.000 0.443 312 I N -0.066 120.493 120.570 -0.018 0.000 2.252 312 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 312 I C 2.609 178.707 176.117 -0.031 0.000 1.102 312 I CA 1.418 62.689 61.300 -0.048 0.000 1.385 312 I CB -0.755 37.192 38.000 -0.087 0.000 1.064 312 I HN 0.244 nan 8.210 nan 0.000 0.414 313 G N 0.754 109.542 108.800 -0.021 0.000 2.432 313 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 313 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 313 G C 1.665 176.561 174.900 -0.005 0.000 1.135 313 G CA 0.498 45.590 45.100 -0.012 0.000 0.767 313 G HN 0.332 nan 8.290 nan 0.000 0.550 314 K N -0.096 120.303 120.400 -0.002 0.000 2.486 314 K HA 0.209 4.528 4.320 -0.000 0.000 0.194 314 K C 1.607 178.208 176.600 0.001 0.000 1.033 314 K CA 0.376 56.665 56.287 0.003 0.000 1.004 314 K CB 0.116 32.621 32.500 0.010 0.000 0.798 314 K HN 0.323 nan 8.250 nan 0.000 0.495 315 G N 1.194 109.990 108.800 -0.006 0.000 2.143 315 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 315 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 315 G C 0.564 175.461 174.900 -0.005 0.000 0.991 315 G CA 0.147 45.243 45.100 -0.008 0.000 0.689 315 G HN 0.257 nan 8.290 nan 0.000 0.522 316 L N -0.450 120.772 121.223 -0.002 0.000 2.298 316 L HA 0.449 4.789 4.340 -0.000 0.000 0.209 316 L C 1.689 178.557 176.870 -0.003 0.000 1.084 316 L CA 1.023 55.865 54.840 0.004 0.000 0.816 316 L CB -0.057 42.015 42.059 0.021 0.000 0.967 316 L HN 0.598 nan 8.230 nan 0.000 0.460 317 I N -5.228 115.330 120.570 -0.020 0.000 3.145 317 I HA 0.383 4.553 4.170 -0.000 0.000 0.313 317 I C -0.416 175.643 176.117 -0.097 0.000 1.122 317 I CA -0.761 60.504 61.300 -0.059 0.000 0.987 317 I CB 2.175 40.127 38.000 -0.081 0.000 1.236 317 I HN -0.176 nan 8.210 nan 0.000 0.453 318 D N 1.780 122.092 120.400 -0.147 0.000 2.422 318 D HA 0.372 5.012 4.640 -0.000 0.000 0.218 318 D C 0.468 176.582 176.300 -0.310 0.000 1.047 318 D CA 0.570 54.467 54.000 -0.173 0.000 0.885 318 D CB 1.487 42.215 40.800 -0.121 0.000 1.035 318 D HN 0.676 nan 8.370 nan 0.000 0.502 319 A N 0.275 122.816 122.820 -0.464 0.000 2.609 319 A HA 0.599 4.919 4.320 -0.000 0.000 0.291 319 A C -1.446 175.671 177.584 -0.778 0.000 1.096 319 A CA -0.515 51.063 52.037 -0.766 0.000 0.684 319 A CB 1.812 19.948 19.000 -1.440 0.000 1.282 319 A HN -0.104 nan 8.150 nan 0.000 0.412 320 V N 0.423 119.820 119.914 -0.861 0.000 2.588 320 V HA 0.717 4.837 4.120 -0.000 0.000 0.304 320 V C 0.279 175.865 176.094 -0.846 0.000 1.042 320 V CA -0.199 61.527 62.300 -0.956 0.000 0.877 320 V CB 1.630 32.819 31.823 -1.058 0.000 0.996 320 V HN 1.501 nan 8.190 nan 0.000 0.425 321 A N 4.730 127.112 122.820 -0.729 0.000 2.276 321 A HA 0.853 5.173 4.320 -0.000 0.000 0.316 321 A C -1.000 176.362 177.584 -0.370 0.000 1.229 321 A CA -0.223 51.606 52.037 -0.347 0.000 0.851 321 A CB 0.175 19.081 19.000 -0.158 0.000 1.165 321 A HN 0.595 nan 8.150 nan 0.000 0.513 322 F N 1.942 121.950 119.950 0.098 0.000 2.420 322 F HA 0.542 5.069 4.527 0.000 0.000 0.342 322 F C 1.292 177.197 175.800 0.175 0.000 1.113 322 F CA 0.394 58.468 58.000 0.124 0.000 1.059 322 F CB 2.133 41.192 39.000 0.098 0.000 1.128 322 F HN 0.672 nan 8.300 nan 0.000 0.475 323 G N 2.492 111.458 108.800 0.278 0.000 2.680 323 G HA2 0.018 3.978 3.960 -0.000 0.000 0.224 323 G HA3 0.018 3.978 3.960 -0.000 0.000 0.224 323 G C 1.466 176.415 174.900 0.081 0.000 1.454 323 G CA -0.159 45.035 45.100 0.157 0.000 0.900 323 G HN 0.528 nan 8.290 nan 0.000 0.570 324 R N 0.589 121.106 120.500 0.028 0.000 2.096 324 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 324 R C 2.083 178.357 176.300 -0.043 0.000 1.127 324 R CA 1.446 57.504 56.100 -0.069 0.000 0.968 324 R CB -0.170 30.150 30.300 0.034 0.000 0.861 324 R HN 0.249 nan 8.270 nan 0.000 0.440 325 D N -0.398 120.001 120.400 -0.002 0.000 2.178 325 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 325 D C 1.462 177.635 176.300 -0.212 0.000 0.980 325 D CA 1.224 55.145 54.000 -0.132 0.000 0.842 325 D CB -0.106 40.553 40.800 -0.236 0.000 0.948 325 D HN 0.220 nan 8.370 nan 0.000 0.472 326 Y N 0.885 121.134 120.300 -0.084 0.000 2.314 326 Y HA 0.022 4.572 4.550 -0.000 0.000 0.293 326 Y C 2.311 178.100 175.900 -0.185 0.000 1.129 326 Y CA 0.160 58.194 58.100 -0.111 0.000 1.201 326 Y CB -0.234 38.204 38.460 -0.036 0.000 0.999 326 Y HN -0.057 nan 8.280 nan 0.000 0.541 327 I N -0.829 119.712 120.570 -0.049 0.000 2.151 327 I HA -0.370 3.800 4.170 -0.000 0.000 0.243 327 I C 2.300 178.116 176.117 -0.502 0.000 1.080 327 I CA 1.692 62.903 61.300 -0.148 0.000 1.339 327 I CB -0.467 37.370 38.000 -0.272 0.000 1.039 327 I HN 0.177 nan 8.210 nan 0.000 0.409 328 A N -0.541 121.894 122.820 -0.641 0.000 2.195 328 A HA 0.100 4.420 4.320 -0.000 0.000 0.210 328 A C 0.627 177.874 177.584 -0.563 0.000 1.165 328 A CA 0.307 51.644 52.037 -1.168 0.000 0.806 328 A CB -0.050 18.615 19.000 -0.559 0.000 0.847 328 A HN 0.389 nan 8.150 nan 0.000 0.482 329 N N 0.209 118.712 118.700 -0.329 0.000 2.648 329 N HA 0.181 4.921 4.740 -0.000 0.000 0.261 329 N C -2.600 172.817 175.510 -0.156 0.000 1.138 329 N CA -1.016 51.908 53.050 -0.209 0.000 0.804 329 N CB 1.929 40.261 38.487 -0.259 0.000 1.237 329 N HN 0.033 nan 8.380 nan 0.000 0.532 330 P HA -0.124 nan 4.420 nan 0.000 0.216 330 P C 0.284 177.611 177.300 0.046 0.000 1.150 330 P CA 1.464 64.571 63.100 0.012 0.000 0.837 330 P CB 0.180 31.878 31.700 -0.003 0.000 0.786 331 D N -0.372 120.015 120.400 -0.022 0.000 2.889 331 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 331 D C 1.408 177.648 176.300 -0.101 0.000 1.270 331 D CA -0.624 53.361 54.000 -0.025 0.000 0.838 331 D CB -0.577 40.211 40.800 -0.021 0.000 1.040 331 D HN -0.038 nan 8.370 nan 0.000 0.480 332 L N 0.348 121.425 121.223 -0.243 0.000 2.081 332 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 332 L C 1.968 178.722 176.870 -0.193 0.000 1.080 332 L CA 1.462 56.066 54.840 -0.392 0.000 0.754 332 L CB -0.347 41.151 42.059 -0.935 0.000 0.893 332 L HN 0.062 nan 8.230 nan 0.000 0.433 333 V N -0.069 119.821 119.914 -0.040 0.000 2.255 333 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 333 V C 2.775 178.887 176.094 0.029 0.000 1.051 333 V CA 1.902 64.273 62.300 0.117 0.000 1.018 333 V CB -1.429 30.509 31.823 0.191 0.000 0.641 333 V HN 0.627 nan 8.190 nan 0.000 0.445 334 A N -0.292 122.508 122.820 -0.033 0.000 1.933 334 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 334 A C 2.355 179.874 177.584 -0.109 0.000 1.175 334 A CA 1.908 53.891 52.037 -0.091 0.000 0.628 334 A CB -0.497 18.465 19.000 -0.063 0.000 0.814 334 A HN 0.539 nan 8.150 nan 0.000 0.444 335 R N -0.573 119.871 120.500 -0.093 0.000 2.075 335 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 335 R C 2.006 178.256 176.300 -0.083 0.000 1.126 335 R CA 1.416 57.459 56.100 -0.095 0.000 0.963 335 R CB -0.465 29.768 30.300 -0.112 0.000 0.858 335 R HN 0.501 nan 8.270 nan 0.000 0.435 336 L N 0.313 121.505 121.223 -0.053 0.000 2.141 336 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 336 L C 2.682 179.587 176.870 0.058 0.000 1.094 336 L CA 1.177 56.050 54.840 0.055 0.000 0.763 336 L CB -0.364 41.791 42.059 0.161 0.000 0.908 336 L HN 0.270 nan 8.230 nan 0.000 0.437 337 Q N 0.581 120.233 119.800 -0.246 0.000 2.119 337 Q HA -0.178 4.162 4.340 -0.000 0.000 0.201 337 Q C 1.839 177.649 176.000 -0.317 0.000 0.972 337 Q CA 1.430 56.801 55.803 -0.720 0.000 0.847 337 Q CB 0.239 28.393 28.738 -0.974 0.000 0.903 337 Q HN 0.375 nan 8.270 nan 0.000 0.433 338 K N -0.263 120.021 120.400 -0.194 0.000 2.393 338 K HA 0.045 4.365 4.320 -0.000 0.000 0.193 338 K C -0.336 176.220 176.600 -0.072 0.000 1.026 338 K CA 0.077 56.292 56.287 -0.120 0.000 1.064 338 K CB 0.679 33.118 32.500 -0.100 0.000 0.833 338 K HN -0.032 nan 8.250 nan 0.000 0.521 339 K N -0.370 119.995 120.400 -0.057 0.000 3.096 339 K HA -0.180 4.140 4.320 -0.000 0.000 0.266 339 K C -0.426 176.152 176.600 -0.036 0.000 1.043 339 K CA 0.837 57.105 56.287 -0.032 0.000 0.758 339 K CB -2.633 29.857 32.500 -0.017 0.000 1.260 339 K HN 0.342 nan 8.250 nan 0.000 0.481 340 A N 0.553 123.344 122.820 -0.048 0.000 2.322 340 A HA 0.565 4.885 4.320 -0.000 0.000 0.269 340 A C 0.832 178.391 177.584 -0.043 0.000 1.094 340 A CA 0.355 52.366 52.037 -0.043 0.000 0.807 340 A CB 0.369 19.340 19.000 -0.048 0.000 1.047 340 A HN 0.500 nan 8.150 nan 0.000 0.487 341 E N 0.761 120.942 120.200 -0.032 0.000 2.418 341 E HA 0.433 4.783 4.350 -0.000 0.000 0.261 341 E C -0.270 176.307 176.600 -0.038 0.000 1.070 341 E CA -0.025 56.358 56.400 -0.029 0.000 0.931 341 E CB -0.014 29.677 29.700 -0.015 0.000 0.954 341 E HN 0.613 nan 8.360 nan 0.000 0.439 342 L N 1.934 123.133 121.223 -0.041 0.000 2.360 342 L HA 0.332 4.672 4.340 -0.000 0.000 0.271 342 L C 0.406 177.269 176.870 -0.011 0.000 1.057 342 L CA -1.204 53.605 54.840 -0.051 0.000 0.803 342 L CB 1.309 43.322 42.059 -0.076 0.000 1.207 342 L HN 0.601 nan 8.230 nan 0.000 0.445 343 N N 2.075 120.778 118.700 0.006 0.000 2.492 343 N HA 0.161 4.901 4.740 -0.000 0.000 0.260 343 N C -2.282 173.284 175.510 0.093 0.000 1.215 343 N CA -0.863 52.234 53.050 0.078 0.000 0.923 343 N CB 0.182 38.769 38.487 0.168 0.000 1.092 343 N HN 0.338 nan 8.380 nan 0.000 0.448 344 P HA 0.086 nan 4.420 nan 0.000 0.271 344 P C -0.492 176.949 177.300 0.235 0.000 1.218 344 P CA -0.065 63.113 63.100 0.130 0.000 0.780 344 P CB 0.713 32.471 31.700 0.097 0.000 0.901 345 Q N 1.473 121.393 119.800 0.199 0.000 2.299 345 Q HA 0.306 4.646 4.340 -0.000 0.000 0.246 345 Q C 0.159 176.299 176.000 0.233 0.000 0.935 345 Q CA -0.085 55.893 55.803 0.292 0.000 0.887 345 Q CB 0.941 29.845 28.738 0.277 0.000 1.223 345 Q HN 0.297 nan 8.270 nan 0.000 0.439 346 R N 2.487 123.162 120.500 0.291 0.000 2.587 346 R HA 0.190 4.530 4.340 -0.000 0.000 0.283 346 R C -1.948 174.201 176.300 -0.251 0.000 1.472 346 R CA -1.592 54.539 56.100 0.053 0.000 1.578 346 R CB 0.780 31.120 30.300 0.066 0.000 1.130 346 R HN 0.459 nan 8.270 nan 0.000 0.602 347 P HA -0.182 nan 4.420 nan 0.000 0.221 347 P C 0.684 177.531 177.300 -0.755 0.000 1.145 347 P CA 1.044 63.230 63.100 -1.524 0.000 0.795 347 P CB 0.429 31.595 31.700 -0.890 0.000 0.775 348 E N -0.050 119.955 120.200 -0.325 0.000 2.333 348 E HA -0.081 4.269 4.350 -0.000 0.000 0.198 348 E C 1.330 177.898 176.600 -0.053 0.000 1.007 348 E CA 1.221 57.541 56.400 -0.134 0.000 0.845 348 E CB -0.448 29.208 29.700 -0.074 0.000 0.766 348 E HN 0.400 nan 8.360 nan 0.000 0.507 349 S N -0.598 115.077 115.700 -0.042 0.000 2.601 349 S HA 0.156 4.626 4.470 -0.000 0.000 0.244 349 S C 1.186 175.911 174.600 0.209 0.000 1.001 349 S CA -0.547 57.698 58.200 0.075 0.000 0.984 349 S CB -0.236 63.006 63.200 0.070 0.000 0.842 349 S HN -0.069 nan 8.310 nan 0.000 0.474 350 F N 1.816 121.750 119.950 -0.027 0.000 2.134 350 F HA 0.167 4.694 4.527 -0.001 0.000 0.299 350 F C 0.440 176.047 175.800 -0.322 0.000 1.097 350 F CA -0.200 57.672 58.000 -0.213 0.000 1.264 350 F CB -0.788 37.960 39.000 -0.419 0.000 1.001 350 F HN 0.282 nan 8.300 nan 0.000 0.479 351 Y N -0.463 119.972 120.300 0.224 0.000 2.335 351 Y HA 0.543 5.093 4.550 -0.000 0.000 0.338 351 Y C 0.791 176.718 175.900 0.045 0.000 0.977 351 Y CA -0.768 57.401 58.100 0.114 0.000 1.114 351 Y CB 1.038 39.581 38.460 0.138 0.000 1.182 351 Y HN 0.263 nan 8.280 nan 0.000 0.463 352 G N 1.105 109.986 108.800 0.136 0.000 2.782 352 G HA2 0.341 4.301 3.960 -0.000 0.000 0.228 352 G HA3 0.341 4.301 3.960 -0.000 0.000 0.228 352 G C 0.208 175.090 174.900 -0.029 0.000 1.372 352 G CA -0.237 44.888 45.100 0.042 0.000 0.862 352 G HN 1.797 nan 8.290 nan 0.000 0.547 353 G N -1.788 106.991 108.800 -0.035 0.000 2.488 353 G HA2 0.502 4.462 3.960 -0.000 0.000 0.237 353 G HA3 0.502 4.462 3.960 -0.000 0.000 0.237 353 G C 1.266 176.112 174.900 -0.090 0.000 1.209 353 G CA 1.218 46.292 45.100 -0.044 0.000 0.929 353 G HN 2.789 nan 8.290 nan 0.000 0.578 354 G N -2.589 106.166 108.800 -0.075 0.000 3.253 354 G HA2 0.743 4.702 3.960 -0.000 0.000 0.175 354 G HA3 0.743 4.702 3.960 -0.000 0.000 0.175 354 G C 1.291 176.186 174.900 -0.008 0.000 1.098 354 G CA 1.430 46.492 45.100 -0.065 0.000 0.790 354 G HN 1.949 nan 8.290 nan 0.000 0.648 355 A N -0.651 122.202 122.820 0.056 0.000 1.972 355 A HA 0.136 4.456 4.320 -0.000 0.000 0.219 355 A C 1.223 178.875 177.584 0.114 0.000 1.169 355 A CA 1.577 53.694 52.037 0.133 0.000 0.635 355 A CB -0.566 18.487 19.000 0.087 0.000 0.810 355 A HN 0.549 nan 8.150 nan 0.000 0.446 356 E N -0.551 119.677 120.200 0.047 0.000 2.417 356 E HA 0.329 4.679 4.350 -0.000 0.000 0.261 356 E C 1.015 177.629 176.600 0.023 0.000 1.000 356 E CA 0.514 56.918 56.400 0.006 0.000 0.919 356 E CB -0.097 29.595 29.700 -0.014 0.000 0.955 356 E HN 0.714 nan 8.360 nan 0.000 0.455 357 G N 3.456 112.227 108.800 -0.048 0.000 2.143 357 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.248 357 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.248 357 G C -0.030 175.064 174.900 0.324 0.000 0.991 357 G CA 0.642 45.747 45.100 0.009 0.000 0.689 357 G HN 0.662 nan 8.290 nan 0.000 0.522 358 Y N -0.213 120.151 120.300 0.106 0.000 3.116 358 Y HA 0.230 4.780 4.550 -0.000 0.000 0.220 358 Y C 2.408 178.459 175.900 0.251 0.000 0.965 358 Y CA 2.059 60.236 58.100 0.128 0.000 1.476 358 Y CB 0.109 38.540 38.460 -0.049 0.000 1.493 358 Y HN 0.438 nan 8.280 nan 0.000 0.423 359 T N -1.877 112.761 114.554 0.140 0.000 3.054 359 T HA 0.144 4.494 4.350 -0.000 0.000 0.255 359 T C 0.348 175.100 174.700 0.087 0.000 1.035 359 T CA 0.444 62.585 62.100 0.067 0.000 0.941 359 T CB -0.082 68.813 68.868 0.046 0.000 1.026 359 T HN 0.420 nan 8.240 nan 0.000 0.533 360 D N -0.118 120.323 120.400 0.068 0.000 2.402 360 D HA 0.042 4.682 4.640 -0.000 0.000 0.216 360 D C -0.527 175.757 176.300 -0.026 0.000 1.128 360 D CA -0.648 53.351 54.000 -0.003 0.000 0.833 360 D CB -0.665 40.101 40.800 -0.057 0.000 0.971 360 D HN 0.403 nan 8.370 nan 0.000 0.503 361 Y N 2.239 122.565 120.300 0.043 0.000 2.436 361 Y HA 0.306 4.856 4.550 0.000 0.000 0.343 361 Y C -1.754 174.155 175.900 0.015 0.000 1.008 361 Y CA -2.036 56.085 58.100 0.034 0.000 1.241 361 Y CB 0.764 39.251 38.460 0.046 0.000 1.153 361 Y HN -0.056 nan 8.280 nan 0.000 0.521 362 P HA 0.098 nan 4.420 nan 0.000 0.277 362 P C -0.482 176.854 177.300 0.061 0.000 1.240 362 P CA -0.454 62.693 63.100 0.080 0.000 0.798 362 P CB 1.324 33.055 31.700 0.051 0.000 0.979 363 S N 2.300 118.021 115.700 0.035 0.000 2.632 363 S HA 0.333 4.803 4.470 -0.000 0.000 0.267 363 S C 0.733 175.337 174.600 0.007 0.000 1.276 363 S CA -0.754 57.454 58.200 0.013 0.000 0.998 363 S CB 0.022 63.227 63.200 0.008 0.000 0.953 363 S HN 0.310 nan 8.310 nan 0.000 0.547 364 L N 0.000 121.219 121.223 -0.006 0.000 2.949 364 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 364 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 364 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 364 L HN 0.000 nan 8.230 nan 0.000 0.502