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 2j3d_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.632 174.600 0.054 0.000 1.055 4 S CA 0.000 58.219 58.200 0.032 0.000 1.107 4 S CB 0.000 63.219 63.200 0.031 0.000 0.593 5 E N 2.411 122.648 120.200 0.062 0.000 2.208 5 E HA 0.059 4.412 4.350 0.004 0.000 0.193 5 E C 1.077 177.772 176.600 0.158 0.000 0.988 5 E CA 0.833 57.294 56.400 0.101 0.000 0.828 5 E CB -0.041 29.712 29.700 0.088 0.000 0.763 5 E HN 0.719 nan 8.360 nan 0.000 0.478 6 L N 1.028 122.305 121.223 0.090 0.000 2.591 6 L HA 0.136 4.479 4.340 0.004 0.000 0.228 6 L C 0.354 177.347 176.870 0.206 0.000 1.133 6 L CA -0.277 54.589 54.840 0.043 0.000 0.880 6 L CB 0.226 42.244 42.059 -0.068 0.000 1.033 6 L HN 0.172 nan 8.230 nan 0.000 0.450 7 L N 0.577 121.917 121.223 0.195 0.000 2.296 7 L HA 0.581 4.924 4.340 0.004 0.000 0.286 7 L C -0.700 176.245 176.870 0.124 0.000 1.023 7 L CA -0.263 54.688 54.840 0.184 0.000 0.812 7 L CB 1.645 43.762 42.059 0.096 0.000 1.223 7 L HN -0.324 nan 8.230 nan 0.000 0.421 8 V N 5.081 125.047 119.914 0.086 0.000 2.760 8 V HA 0.422 4.545 4.120 0.004 0.000 0.309 8 V C -0.558 175.445 176.094 -0.151 0.000 1.077 8 V CA -0.845 61.344 62.300 -0.184 0.000 0.910 8 V CB 2.007 33.418 31.823 -0.686 0.000 1.008 8 V HN 0.828 nan 8.190 nan 0.000 0.424 9 N N 2.233 120.779 118.700 -0.257 0.000 2.425 9 N HA 0.501 5.244 4.740 0.004 0.000 0.268 9 N C -0.295 174.962 175.510 -0.422 0.000 0.991 9 N CA -0.126 52.763 53.050 -0.268 0.000 0.931 9 N CB 1.583 39.889 38.487 -0.303 0.000 1.130 9 N HN 0.910 nan 8.380 nan 0.000 0.493 10 T N 0.368 114.801 114.554 -0.202 0.000 2.938 10 T HA 0.309 4.661 4.350 0.004 0.000 0.285 10 T C 1.040 175.641 174.700 -0.165 0.000 1.028 10 T CA -0.619 61.433 62.100 -0.080 0.000 1.005 10 T CB 1.460 70.460 68.868 0.220 0.000 1.157 10 T HN 0.401 nan 8.240 nan 0.000 0.550 11 K N 0.343 120.714 120.400 -0.047 0.000 2.442 11 K HA 0.013 4.335 4.320 0.004 0.000 0.198 11 K C 1.752 178.269 176.600 -0.137 0.000 1.044 11 K CA 0.841 57.079 56.287 -0.082 0.000 0.948 11 K CB -0.079 32.403 32.500 -0.030 0.000 0.762 11 K HN 0.417 nan 8.250 nan 0.000 0.472 12 S N -0.436 115.162 115.700 -0.169 0.000 2.511 12 S HA 0.200 4.672 4.470 0.004 0.000 0.214 12 S C 0.379 174.342 174.600 -1.061 0.000 0.997 12 S CA 0.228 58.229 58.200 -0.331 0.000 0.908 12 S CB 1.110 64.353 63.200 0.072 0.000 0.803 12 S HN 0.544 nan 8.310 nan 0.000 0.504 13 G N 1.122 109.402 108.800 -0.867 0.000 2.359 13 G HA2 0.113 4.075 3.960 0.004 0.000 0.314 13 G HA3 0.113 4.075 3.960 0.004 0.000 0.314 13 G C -1.703 172.995 174.900 -0.338 0.000 1.364 13 G CA -1.161 43.350 45.100 -0.981 0.000 0.978 13 G HN 0.095 nan 8.290 nan 0.000 0.615 14 K N -0.622 119.751 120.400 -0.045 0.000 2.295 14 K HA 0.533 4.856 4.320 0.004 0.000 0.270 14 K C 0.379 177.304 176.600 0.542 0.000 1.011 14 K CA -0.187 56.215 56.287 0.193 0.000 0.953 14 K CB 1.600 34.189 32.500 0.148 0.000 0.956 14 K HN 1.126 nan 8.250 nan 0.000 0.477 15 V N -0.067 120.127 119.914 0.466 0.000 2.709 15 V HA 0.524 4.647 4.120 0.004 0.000 0.308 15 V C -0.908 175.482 176.094 0.493 0.000 1.062 15 V CA -1.143 61.513 62.300 0.595 0.000 0.901 15 V CB 1.685 33.901 31.823 0.655 0.000 1.003 15 V HN 0.736 nan 8.190 nan 0.000 0.425 16 M N 5.372 125.234 119.600 0.437 0.000 2.055 16 M HA 0.781 5.263 4.480 0.004 0.000 0.346 16 M C 0.412 176.837 176.300 0.208 0.000 1.074 16 M CA 0.019 55.489 55.300 0.283 0.000 1.009 16 M CB 0.220 32.925 32.600 0.176 0.000 1.423 16 M HN 1.109 nan 8.290 nan 0.000 0.410 17 G N 2.027 110.857 108.800 0.051 0.000 2.489 17 G HA2 0.504 4.467 3.960 0.004 0.000 0.271 17 G HA3 0.504 4.467 3.960 0.004 0.000 0.271 17 G C -0.849 173.868 174.900 -0.304 0.000 1.427 17 G CA -0.081 44.733 45.100 -0.477 0.000 1.057 17 G HN 0.727 nan 8.290 nan 0.000 0.532 18 T N -1.760 112.565 114.554 -0.381 0.000 2.982 18 T HA 0.444 4.797 4.350 0.004 0.000 0.321 18 T C -0.870 173.724 174.700 -0.177 0.000 1.229 18 T CA -0.692 61.283 62.100 -0.208 0.000 1.044 18 T CB 1.376 70.152 68.868 -0.154 0.000 1.184 18 T HN 0.575 nan 8.240 nan 0.000 0.477 19 R N 3.405 123.847 120.500 -0.096 0.000 2.216 19 R HA 0.591 4.934 4.340 0.004 0.000 0.332 19 R C -0.181 176.139 176.300 0.032 0.000 1.056 19 R CA -0.460 55.625 56.100 -0.026 0.000 0.901 19 R CB 0.194 30.477 30.300 -0.029 0.000 1.039 19 R HN 0.574 nan 8.270 nan 0.000 0.456 20 V N 2.964 122.911 119.914 0.056 0.000 2.581 20 V HA 0.663 4.785 4.120 0.004 0.000 0.303 20 V C -2.378 173.721 176.094 0.007 0.000 1.041 20 V CA -2.653 59.670 62.300 0.038 0.000 0.907 20 V CB 1.554 33.391 31.823 0.023 0.000 0.994 20 V HN 0.719 nan 8.190 nan 0.000 0.442 21 P HA 0.346 nan 4.420 nan 0.000 0.275 21 P C -0.865 176.228 177.300 -0.345 0.000 1.227 21 P CA -0.098 62.757 63.100 -0.408 0.000 0.781 21 P CB 1.964 33.462 31.700 -0.338 0.000 0.906 22 V N 5.929 125.572 119.914 -0.452 0.000 2.610 22 V HA 0.160 4.283 4.120 0.004 0.000 0.288 22 V C -0.090 175.718 176.094 -0.476 0.000 1.055 22 V CA -0.792 61.248 62.300 -0.433 0.000 0.902 22 V CB 0.360 31.886 31.823 -0.495 0.000 1.030 22 V HN 0.501 nan 8.190 nan 0.000 0.448 23 L N 6.266 127.356 121.223 -0.221 0.000 3.746 23 L HA -0.190 4.152 4.340 0.004 0.000 0.542 23 L C 0.886 177.650 176.870 -0.178 0.000 1.268 23 L CA 0.933 55.689 54.840 -0.140 0.000 0.818 23 L CB -1.773 40.252 42.059 -0.057 0.000 1.472 23 L HN 1.604 nan 8.230 nan 0.000 0.843 24 S N -2.408 113.190 115.700 -0.170 0.000 3.698 24 S HA -0.197 4.276 4.470 0.004 0.000 0.338 24 S C 0.070 174.589 174.600 -0.135 0.000 1.089 24 S CA 1.257 59.383 58.200 -0.123 0.000 0.991 24 S CB -1.297 61.878 63.200 -0.041 0.000 0.909 24 S HN 1.502 nan 8.310 nan 0.000 0.485 25 S N -0.897 114.625 115.700 -0.297 0.000 2.694 25 S HA 0.776 5.249 4.470 0.004 0.000 0.273 25 S C -1.498 172.834 174.600 -0.447 0.000 1.180 25 S CA -0.371 57.713 58.200 -0.195 0.000 0.864 25 S CB 0.838 63.954 63.200 -0.141 0.000 1.198 25 S HN 0.797 nan 8.310 nan 0.000 0.499 26 H N -0.258 118.747 119.070 -0.108 0.000 2.977 26 H HA 0.859 5.418 4.556 0.005 0.000 0.350 26 H C -0.588 174.744 175.328 0.006 0.000 1.238 26 H CA -0.129 55.876 56.048 -0.072 0.000 1.124 26 H CB 1.478 31.223 29.762 -0.029 0.000 1.866 26 H HN 0.782 nan 8.280 nan 0.000 0.550 27 I N -2.622 118.049 120.570 0.168 0.000 3.066 27 I HA 0.533 4.706 4.170 0.004 0.000 0.307 27 I C -1.147 175.061 176.117 0.151 0.000 1.366 27 I CA -1.052 60.363 61.300 0.192 0.000 0.972 27 I CB 2.455 40.603 38.000 0.246 0.000 1.307 27 I HN 0.391 nan 8.210 nan 0.000 0.470 28 S N 2.131 117.925 115.700 0.156 0.000 2.545 28 S HA 0.737 5.210 4.470 0.004 0.000 0.275 28 S C -0.075 174.534 174.600 0.015 0.000 1.299 28 S CA -0.347 57.869 58.200 0.028 0.000 1.048 28 S CB 1.214 64.479 63.200 0.108 0.000 0.938 28 S HN 0.869 nan 8.310 nan 0.000 0.496 29 A N 2.784 125.452 122.820 -0.253 0.000 2.385 29 A HA 0.694 5.017 4.320 0.004 0.000 0.290 29 A C -1.106 176.212 177.584 -0.444 0.000 1.094 29 A CA -0.670 51.169 52.037 -0.330 0.000 0.729 29 A CB 0.327 19.147 19.000 -0.300 0.000 1.194 29 A HN 0.655 nan 8.150 nan 0.000 0.442 30 F N 3.535 123.389 119.950 -0.159 0.000 2.291 30 F HA 0.423 4.953 4.527 0.004 0.000 0.368 30 F C 0.112 175.815 175.800 -0.163 0.000 1.085 30 F CA -0.413 57.568 58.000 -0.031 0.000 1.165 30 F CB 0.809 39.923 39.000 0.189 0.000 1.429 30 F HN 0.368 nan 8.300 nan 0.000 0.503 31 L N 1.984 123.173 121.223 -0.057 0.000 2.357 31 L HA 0.606 4.949 4.340 0.004 0.000 0.273 31 L C 1.133 178.038 176.870 0.059 0.000 1.080 31 L CA -0.918 53.879 54.840 -0.071 0.000 0.803 31 L CB 1.164 43.107 42.059 -0.193 0.000 1.174 31 L HN 0.816 nan 8.230 nan 0.000 0.443 32 G N 2.946 111.800 108.800 0.089 0.000 2.295 32 G HA2 -0.266 3.697 3.960 0.004 0.000 0.287 32 G HA3 -0.266 3.697 3.960 0.004 0.000 0.287 32 G C -0.113 174.856 174.900 0.114 0.000 1.055 32 G CA -0.199 44.952 45.100 0.084 0.000 0.922 32 G HN 0.476 nan 8.290 nan 0.000 0.503 33 I N 2.070 122.621 120.570 -0.032 0.000 2.416 33 I HA 0.244 4.416 4.170 0.004 0.000 0.288 33 I C -1.355 174.481 176.117 -0.468 0.000 1.051 33 I CA -2.207 58.871 61.300 -0.370 0.000 1.375 33 I CB 1.313 39.099 38.000 -0.357 0.000 1.407 33 I HN 0.016 nan 8.210 nan 0.000 0.516 34 P HA 0.086 nan 4.420 nan 0.000 0.280 34 P C -0.420 176.440 177.300 -0.732 0.000 1.244 34 P CA -0.031 62.444 63.100 -1.040 0.000 0.784 34 P CB 0.761 31.738 31.700 -1.205 0.000 0.913 35 F N 0.516 120.091 119.950 -0.625 0.000 2.798 35 F HA 0.757 5.287 4.527 0.005 0.000 0.328 35 F C -0.124 175.563 175.800 -0.189 0.000 1.098 35 F CA -0.957 56.763 58.000 -0.467 0.000 1.172 35 F CB 0.062 38.746 39.000 -0.526 0.000 1.072 35 F HN 0.397 nan 8.300 nan 0.000 0.555 36 A N -0.021 122.492 122.820 -0.512 0.000 2.612 36 A HA 0.589 4.911 4.320 0.004 0.000 0.293 36 A C -1.015 176.374 177.584 -0.326 0.000 1.075 36 A CA -0.789 51.080 52.037 -0.280 0.000 0.680 36 A CB 0.999 19.853 19.000 -0.245 0.000 1.279 36 A HN 0.042 nan 8.150 nan 0.000 0.411 37 E N 0.978 121.083 120.200 -0.158 0.000 2.392 37 E HA 0.259 4.612 4.350 0.004 0.000 0.264 37 E C -2.335 174.163 176.600 -0.170 0.000 1.024 37 E CA -1.472 54.852 56.400 -0.127 0.000 0.903 37 E CB 0.057 29.729 29.700 -0.047 0.000 0.963 37 E HN 0.231 nan 8.360 nan 0.000 0.432 38 P HA -0.016 nan 4.420 nan 0.000 0.256 38 P C -2.124 175.105 177.300 -0.118 0.000 1.189 38 P CA -0.560 62.459 63.100 -0.135 0.000 0.808 38 P CB -0.118 31.541 31.700 -0.068 0.000 0.793 39 P HA -0.044 nan 4.420 nan 0.000 0.237 39 P C -0.006 177.206 177.300 -0.146 0.000 1.701 39 P CA 0.321 63.347 63.100 -0.123 0.000 0.955 39 P CB -0.214 31.415 31.700 -0.120 0.000 1.937 40 V N -2.649 117.189 119.914 -0.125 0.000 3.211 40 V HA 0.859 4.982 4.120 0.004 0.000 0.319 40 V C 1.062 177.090 176.094 -0.110 0.000 1.096 40 V CA 0.185 62.404 62.300 -0.134 0.000 1.029 40 V CB 0.654 32.411 31.823 -0.110 0.000 1.137 40 V HN 0.518 nan 8.190 nan 0.000 0.453 41 G N 2.231 110.966 108.800 -0.109 0.000 2.634 41 G HA2 -0.436 3.526 3.960 0.004 0.000 0.309 41 G HA3 -0.436 3.526 3.960 0.004 0.000 0.309 41 G C 0.886 175.737 174.900 -0.082 0.000 1.265 41 G CA 0.996 46.046 45.100 -0.085 0.000 0.998 41 G HN 1.943 nan 8.290 nan 0.000 0.551 42 N N 0.907 119.573 118.700 -0.057 0.000 2.586 42 N HA -0.092 4.651 4.740 0.004 0.000 0.191 42 N C 1.908 177.399 175.510 -0.031 0.000 1.085 42 N CA 2.081 55.108 53.050 -0.038 0.000 0.921 42 N CB -0.228 38.245 38.487 -0.023 0.000 0.954 42 N HN 0.637 nan 8.380 nan 0.000 0.448 43 M N -0.067 119.499 119.600 -0.056 0.000 2.441 43 M HA 0.100 4.583 4.480 0.004 0.000 0.244 43 M C 0.762 177.005 176.300 -0.095 0.000 1.122 43 M CA -0.246 55.022 55.300 -0.055 0.000 1.041 43 M CB 0.095 32.660 32.600 -0.057 0.000 1.438 43 M HN 0.102 nan 8.290 nan 0.000 0.484 44 R N 0.756 121.145 120.500 -0.184 0.000 2.538 44 R HA -0.075 4.268 4.340 0.004 0.000 0.282 44 R C -0.273 175.810 176.300 -0.361 0.000 1.009 44 R CA 0.780 56.632 56.100 -0.414 0.000 1.063 44 R CB 0.180 30.098 30.300 -0.636 0.000 0.945 44 R HN 0.205 nan 8.270 nan 0.000 0.414 45 F N -0.576 119.394 119.950 0.033 0.000 2.498 45 F HA -0.304 4.226 4.527 0.004 0.000 0.563 45 F C 0.598 176.382 175.800 -0.028 0.000 0.514 45 F CA 1.027 59.017 58.000 -0.017 0.000 1.189 45 F CB -1.408 37.573 39.000 -0.033 0.000 1.924 45 F HN 0.621 nan 8.300 nan 0.000 0.261 46 R N 1.604 122.174 120.500 0.116 0.000 2.615 46 R HA 0.468 4.811 4.340 0.004 0.000 0.270 46 R C 0.701 177.022 176.300 0.035 0.000 1.081 46 R CA -0.718 55.422 56.100 0.066 0.000 1.154 46 R CB 0.472 30.796 30.300 0.040 0.000 1.063 46 R HN 0.141 nan 8.270 nan 0.000 0.519 47 R N 1.870 122.389 120.500 0.031 0.000 2.784 47 R HA 0.074 4.416 4.340 0.004 0.000 0.266 47 R C -1.882 174.434 176.300 0.027 0.000 1.044 47 R CA -1.034 55.084 56.100 0.030 0.000 1.151 47 R CB -0.177 30.146 30.300 0.039 0.000 1.037 47 R HN 0.438 nan 8.270 nan 0.000 0.478 48 P HA 0.080 nan 4.420 nan 0.000 0.274 48 P C -0.968 176.359 177.300 0.045 0.000 1.237 48 P CA -0.028 63.096 63.100 0.039 0.000 0.793 48 P CB 0.899 32.648 31.700 0.083 0.000 0.977 49 E N 2.106 122.323 120.200 0.028 0.000 2.187 49 E HA 0.347 4.699 4.350 0.004 0.000 0.268 49 E C -2.233 174.398 176.600 0.052 0.000 0.896 49 E CA -2.445 53.977 56.400 0.038 0.000 0.766 49 E CB 1.338 31.050 29.700 0.021 0.000 1.142 49 E HN 0.373 nan 8.360 nan 0.000 0.408 50 P HA -0.031 nan 4.420 nan 0.000 0.265 50 P C -0.096 177.266 177.300 0.103 0.000 1.193 50 P CA -0.289 62.886 63.100 0.125 0.000 0.765 50 P CB 0.644 32.427 31.700 0.139 0.000 0.823 51 K N 4.087 124.554 120.400 0.111 0.000 2.453 51 K HA -0.019 4.304 4.320 0.004 0.000 0.280 51 K C 0.060 176.769 176.600 0.182 0.000 1.045 51 K CA 0.484 56.833 56.287 0.103 0.000 1.059 51 K CB -0.198 32.349 32.500 0.078 0.000 0.901 51 K HN 0.250 nan 8.250 nan 0.000 0.475 52 K N 6.407 126.905 120.400 0.163 0.000 2.412 52 K HA 0.087 4.410 4.320 0.004 0.000 0.281 52 K C -2.164 174.584 176.600 0.246 0.000 1.027 52 K CA -1.522 54.864 56.287 0.165 0.000 0.989 52 K CB 0.180 32.761 32.500 0.135 0.000 0.935 52 K HN 0.514 nan 8.250 nan 0.000 0.475 53 P HA -0.115 nan 4.420 nan 0.000 0.265 53 P C -1.184 176.216 177.300 0.167 0.000 1.187 53 P CA 0.187 63.310 63.100 0.038 0.000 0.766 53 P CB 0.243 31.904 31.700 -0.066 0.000 0.820 54 W N 1.640 123.036 121.300 0.160 0.000 2.689 54 W HA 0.658 5.320 4.660 0.004 0.000 0.340 54 W C -0.559 176.049 176.519 0.148 0.000 1.060 54 W CA -0.971 56.483 57.345 0.182 0.000 1.218 54 W CB 0.188 29.837 29.460 0.314 0.000 1.410 54 W HN 0.357 nan 8.180 nan 0.000 0.528 55 S N 2.251 118.118 115.700 0.278 0.000 2.632 55 S HA 0.816 5.288 4.470 0.004 0.000 0.271 55 S C 0.577 175.343 174.600 0.276 0.000 1.260 55 S CA 0.120 58.418 58.200 0.163 0.000 1.010 55 S CB 0.805 64.074 63.200 0.116 0.000 0.965 55 S HN 2.128 nan 8.310 nan 0.000 0.534 56 G N -0.235 108.672 108.800 0.179 0.000 2.642 56 G HA2 -0.113 3.850 3.960 0.004 0.000 0.231 56 G HA3 -0.113 3.850 3.960 0.004 0.000 0.231 56 G C -0.775 174.305 174.900 0.301 0.000 1.338 56 G CA -0.409 44.810 45.100 0.198 0.000 0.883 56 G HN 1.677 nan 8.290 nan 0.000 0.570 57 V N 0.452 120.529 119.914 0.271 0.000 2.370 57 V HA 0.487 4.610 4.120 0.004 0.000 0.283 57 V C 0.366 176.674 176.094 0.356 0.000 1.023 57 V CA -0.581 61.919 62.300 0.334 0.000 0.857 57 V CB 1.631 33.573 31.823 0.200 0.000 0.985 57 V HN 0.723 nan 8.190 nan 0.000 0.443 58 W N 4.881 126.406 121.300 0.374 0.000 2.266 58 W HA 0.247 4.910 4.660 0.004 0.000 0.317 58 W C 0.169 176.734 176.519 0.077 0.000 1.310 58 W CA -0.453 56.939 57.345 0.078 0.000 1.207 58 W CB 0.784 30.142 29.460 -0.169 0.000 1.199 58 W HN 0.667 nan 8.180 nan 0.000 0.544 59 N N 4.429 123.037 118.700 -0.154 0.000 2.415 59 N HA 0.281 5.023 4.740 0.004 0.000 0.250 59 N C -0.568 175.087 175.510 0.241 0.000 1.127 59 N CA 0.141 53.201 53.050 0.016 0.000 0.945 59 N CB 0.656 39.059 38.487 -0.140 0.000 1.196 59 N HN 0.342 nan 8.380 nan 0.000 0.499 60 A N 2.705 125.721 122.820 0.328 0.000 3.232 60 A HA 0.288 4.610 4.320 0.004 0.000 0.312 60 A C 0.831 178.470 177.584 0.091 0.000 1.185 60 A CA -0.412 51.798 52.037 0.289 0.000 1.011 60 A CB -0.425 18.804 19.000 0.382 0.000 1.096 60 A HN 0.644 nan 8.150 nan 0.000 0.543 61 S N -1.025 114.688 115.700 0.020 0.000 2.549 61 S HA 0.154 4.627 4.470 0.004 0.000 0.225 61 S C 0.862 175.399 174.600 -0.106 0.000 1.039 61 S CA 0.672 58.832 58.200 -0.066 0.000 0.942 61 S CB -0.195 62.970 63.200 -0.058 0.000 0.881 61 S HN 0.841 nan 8.310 nan 0.000 0.503 62 T N -0.690 113.821 114.554 -0.071 0.000 2.942 62 T HA 0.675 5.028 4.350 0.004 0.000 0.289 62 T C -0.867 173.817 174.700 -0.027 0.000 1.044 62 T CA -0.702 61.349 62.100 -0.083 0.000 1.023 62 T CB 0.750 69.590 68.868 -0.047 0.000 1.123 62 T HN 0.074 nan 8.240 nan 0.000 0.512 63 Y N 2.556 122.832 120.300 -0.041 0.000 2.397 63 Y HA 0.370 4.923 4.550 0.004 0.000 0.335 63 Y C -1.434 174.404 175.900 -0.104 0.000 1.213 63 Y CA -1.840 56.233 58.100 -0.045 0.000 1.391 63 Y CB 0.234 38.688 38.460 -0.011 0.000 1.293 63 Y HN 0.550 nan 8.280 nan 0.000 0.557 64 P HA 0.071 nan 4.420 nan 0.000 0.279 64 P C -0.691 176.509 177.300 -0.167 0.000 1.282 64 P CA -0.423 62.539 63.100 -0.230 0.000 0.788 64 P CB 0.909 32.409 31.700 -0.333 0.000 1.139 65 N N 0.229 118.792 118.700 -0.228 0.000 2.467 65 N HA 0.146 4.889 4.740 0.004 0.000 0.262 65 N C -0.054 175.405 175.510 -0.085 0.000 1.234 65 N CA -0.051 52.922 53.050 -0.128 0.000 0.952 65 N CB -0.035 38.382 38.487 -0.116 0.000 1.158 65 N HN 0.397 nan 8.380 nan 0.000 0.463 66 N N -0.496 118.154 118.700 -0.083 0.000 2.498 66 N HA 0.244 4.987 4.740 0.004 0.000 0.287 66 N C -0.368 175.102 175.510 -0.067 0.000 1.097 66 N CA -0.553 52.445 53.050 -0.086 0.000 0.973 66 N CB 0.965 39.385 38.487 -0.112 0.000 1.153 66 N HN 0.399 nan 8.380 nan 0.000 0.472 67 c N 1.643 120.210 118.600 -0.055 0.000 2.679 67 c HA -0.002 4.571 4.570 0.004 0.000 0.417 67 c C 0.773 174.838 174.090 -0.042 0.000 1.302 67 c CA -0.439 55.860 56.329 -0.050 0.000 1.973 67 c CB -0.251 42.254 42.510 -0.009 0.000 2.715 67 c HN 0.542 nan 8.230 nan 0.000 0.628 68 Q N 2.910 122.656 119.800 -0.090 0.000 2.263 68 Q HA 0.147 4.489 4.340 0.004 0.000 0.289 68 Q C 0.074 176.178 176.000 0.173 0.000 1.061 68 Q CA 1.060 56.853 55.803 -0.016 0.000 0.927 68 Q CB 0.396 29.019 28.738 -0.192 0.000 1.154 68 Q HN 0.892 nan 8.270 nan 0.000 0.378 69 Q N 1.664 121.573 119.800 0.181 0.000 2.590 69 Q HA 0.342 4.685 4.340 0.004 0.000 0.295 69 Q C -1.275 174.905 176.000 0.300 0.000 0.973 69 Q CA -1.056 54.903 55.803 0.260 0.000 0.768 69 Q CB 0.887 29.726 28.738 0.169 0.000 1.479 69 Q HN 0.471 nan 8.270 nan 0.000 0.419 70 Y N 1.117 121.606 120.300 0.316 0.000 2.442 70 Y HA 0.413 4.965 4.550 0.004 0.000 0.330 70 Y C -1.121 174.964 175.900 0.308 0.000 1.129 70 Y CA -0.080 58.237 58.100 0.360 0.000 1.365 70 Y CB 0.961 39.755 38.460 0.556 0.000 1.233 70 Y HN 0.415 nan 8.280 nan 0.000 0.529 71 V N 6.721 126.332 119.914 -0.503 0.000 2.398 71 V HA 0.131 4.254 4.120 0.004 0.000 0.286 71 V C -0.488 175.174 176.094 -0.720 0.000 1.026 71 V CA -0.982 61.082 62.300 -0.393 0.000 0.868 71 V CB 1.302 33.023 31.823 -0.169 0.000 0.982 71 V HN 0.816 nan 8.190 nan 0.000 0.443 72 D N 3.872 124.107 120.400 -0.276 0.000 2.343 72 D HA 0.124 4.767 4.640 0.004 0.000 0.255 72 D C 0.418 176.769 176.300 0.086 0.000 1.187 72 D CA 0.152 54.163 54.000 0.018 0.000 0.875 72 D CB 0.865 41.871 40.800 0.344 0.000 1.136 72 D HN 0.690 nan 8.370 nan 0.000 0.469 73 E N 2.671 122.910 120.200 0.065 0.000 2.887 73 E HA -0.023 4.330 4.350 0.004 0.000 0.206 73 E C 0.647 177.259 176.600 0.019 0.000 0.983 73 E CA -0.181 56.255 56.400 0.060 0.000 1.141 73 E CB 0.703 30.409 29.700 0.010 0.000 1.061 73 E HN 0.415 nan 8.360 nan 0.000 0.468 74 Q N 0.129 119.928 119.800 -0.001 0.000 2.124 74 Q HA -0.067 4.276 4.340 0.004 0.000 0.202 74 Q C -0.158 175.450 176.000 -0.653 0.000 0.977 74 Q CA 1.439 57.004 55.803 -0.396 0.000 0.850 74 Q CB 0.174 28.530 28.738 -0.635 0.000 0.901 74 Q HN 0.157 nan 8.270 nan 0.000 0.429 75 F N 0.725 120.754 119.950 0.131 0.000 2.550 75 F HA 0.431 4.961 4.527 0.005 0.000 0.348 75 F C -2.197 173.694 175.800 0.152 0.000 1.219 75 F CA -2.955 55.104 58.000 0.098 0.000 1.203 75 F CB 1.114 40.167 39.000 0.089 0.000 1.436 75 F HN -0.110 nan 8.300 nan 0.000 0.541 76 P HA 0.111 nan 4.420 nan 0.000 0.262 76 P C 1.007 178.402 177.300 0.159 0.000 1.182 76 P CA 1.102 64.289 63.100 0.145 0.000 0.761 76 P CB 0.700 32.447 31.700 0.079 0.000 0.795 77 G N 2.364 111.239 108.800 0.126 0.000 2.196 77 G HA2 -0.304 3.658 3.960 0.004 0.000 0.268 77 G HA3 -0.304 3.658 3.960 0.004 0.000 0.268 77 G C -0.027 174.940 174.900 0.112 0.000 0.975 77 G CA -0.294 44.858 45.100 0.087 0.000 0.648 77 G HN 0.536 nan 8.290 nan 0.000 0.538 78 F N 2.672 122.622 119.950 0.001 0.000 2.404 78 F HA 0.531 5.060 4.527 0.004 0.000 0.358 78 F C 1.609 177.338 175.800 -0.117 0.000 1.120 78 F CA -0.323 57.619 58.000 -0.096 0.000 1.144 78 F CB 1.097 40.025 39.000 -0.120 0.000 1.133 78 F HN 0.198 nan 8.300 nan 0.000 0.495 79 S N 3.163 118.460 115.700 -0.671 0.000 2.419 79 S HA -0.120 4.352 4.470 0.004 0.000 0.235 79 S C 2.167 176.383 174.600 -0.640 0.000 1.019 79 S CA 0.961 58.828 58.200 -0.554 0.000 0.982 79 S CB -1.112 61.790 63.200 -0.497 0.000 0.789 79 S HN 0.831 nan 8.310 nan 0.000 0.490 80 G N 1.878 109.848 108.800 -1.385 0.000 2.440 80 G HA2 -0.197 3.765 3.960 0.004 0.000 0.218 80 G HA3 -0.197 3.765 3.960 0.004 0.000 0.218 80 G C 1.756 176.891 174.900 0.391 0.000 1.154 80 G CA 1.357 45.929 45.100 -0.881 0.000 0.767 80 G HN 0.806 nan 8.290 nan 0.000 0.552 81 S N 0.035 116.052 115.700 0.529 0.000 2.441 81 S HA 0.103 4.576 4.470 0.004 0.000 0.224 81 S C 1.847 176.757 174.600 0.517 0.000 1.043 81 S CA 0.818 59.571 58.200 0.922 0.000 0.948 81 S CB -0.113 63.735 63.200 1.080 0.000 0.810 81 S HN 0.497 nan 8.310 nan 0.000 0.504 82 E N 2.142 122.483 120.200 0.236 0.000 2.338 82 E HA -0.060 4.293 4.350 0.004 0.000 0.197 82 E C 2.007 178.574 176.600 -0.055 0.000 1.007 82 E CA 1.120 57.578 56.400 0.096 0.000 0.849 82 E CB -0.516 29.205 29.700 0.036 0.000 0.774 82 E HN 0.834 nan 8.360 nan 0.000 0.506 83 M N -1.660 117.818 119.600 -0.204 0.000 2.446 83 M HA -0.085 4.398 4.480 0.004 0.000 0.263 83 M C 1.049 176.984 176.300 -0.609 0.000 1.066 83 M CA 1.466 56.475 55.300 -0.484 0.000 1.087 83 M CB -0.384 31.799 32.600 -0.695 0.000 1.406 83 M HN 0.052 nan 8.290 nan 0.000 0.459 84 W N 0.837 122.117 121.300 -0.032 0.000 3.013 84 W HA 0.275 4.938 4.660 0.004 0.000 0.280 84 W C 0.562 177.029 176.519 -0.087 0.000 1.249 84 W CA -0.903 56.394 57.345 -0.080 0.000 1.577 84 W CB -0.056 29.395 29.460 -0.015 0.000 1.057 84 W HN 0.087 nan 8.180 nan 0.000 0.613 85 N N 1.676 120.452 118.700 0.126 0.000 2.444 85 N HA 0.107 4.850 4.740 0.004 0.000 0.255 85 N C -2.510 172.981 175.510 -0.031 0.000 1.255 85 N CA -1.124 51.956 53.050 0.051 0.000 0.933 85 N CB -0.280 38.235 38.487 0.046 0.000 1.143 85 N HN -0.367 nan 8.380 nan 0.000 0.453 86 P HA 0.043 nan 4.420 nan 0.000 0.263 86 P C 0.351 177.603 177.300 -0.081 0.000 1.195 86 P CA -0.014 63.035 63.100 -0.085 0.000 0.762 86 P CB 0.245 31.903 31.700 -0.071 0.000 0.799 87 N N 3.113 121.750 118.700 -0.106 0.000 2.280 87 N HA 0.040 4.783 4.740 0.004 0.000 0.192 87 N C 0.281 175.752 175.510 -0.065 0.000 1.109 87 N CA 0.260 53.258 53.050 -0.087 0.000 0.855 87 N CB 0.303 38.727 38.487 -0.105 0.000 0.974 87 N HN 0.195 nan 8.380 nan 0.000 0.482 88 R N 0.198 120.653 120.500 -0.075 0.000 2.930 88 R HA 0.318 4.661 4.340 0.004 0.000 0.257 88 R C -0.557 175.708 176.300 -0.058 0.000 1.107 88 R CA -0.793 55.273 56.100 -0.057 0.000 0.999 88 R CB 0.686 30.946 30.300 -0.067 0.000 1.209 88 R HN 0.079 nan 8.270 nan 0.000 0.486 89 E N 1.072 121.240 120.200 -0.054 0.000 2.437 89 E HA 0.004 4.356 4.350 0.004 0.000 0.263 89 E C -0.420 176.143 176.600 -0.061 0.000 1.030 89 E CA 0.557 56.926 56.400 -0.053 0.000 0.934 89 E CB 0.489 30.156 29.700 -0.054 0.000 0.943 89 E HN 0.262 nan 8.360 nan 0.000 0.444 90 M N 2.604 122.172 119.600 -0.053 0.000 2.264 90 M HA 0.309 4.791 4.480 0.004 0.000 0.352 90 M C -0.487 175.769 176.300 -0.074 0.000 1.173 90 M CA -0.315 54.950 55.300 -0.059 0.000 1.075 90 M CB 1.508 34.085 32.600 -0.038 0.000 1.621 90 M HN 0.438 nan 8.290 nan 0.000 0.457 91 S N 1.208 116.851 115.700 -0.095 0.000 2.542 91 S HA 0.215 4.688 4.470 0.004 0.000 0.276 91 S C 0.271 174.772 174.600 -0.166 0.000 1.148 91 S CA -0.676 57.453 58.200 -0.119 0.000 0.886 91 S CB 1.349 64.499 63.200 -0.083 0.000 1.109 91 S HN 0.844 nan 8.310 nan 0.000 0.458 92 E N 1.281 121.332 120.200 -0.250 0.000 2.209 92 E HA -0.136 4.217 4.350 0.004 0.000 0.196 92 E C -0.087 176.402 176.600 -0.184 0.000 0.993 92 E CA 0.779 56.982 56.400 -0.329 0.000 0.819 92 E CB 0.010 29.465 29.700 -0.408 0.000 0.745 92 E HN 0.568 nan 8.360 nan 0.000 0.477 93 D N 0.507 120.845 120.400 -0.104 0.000 2.435 93 D HA -0.007 4.636 4.640 0.004 0.000 0.230 93 D C 0.080 176.441 176.300 0.102 0.000 1.215 93 D CA -0.221 53.772 54.000 -0.013 0.000 0.947 93 D CB 0.034 40.851 40.800 0.028 0.000 1.048 93 D HN 0.157 nan 8.370 nan 0.000 0.512 94 c N 2.476 121.122 118.600 0.076 0.000 3.865 94 c HA 0.353 4.926 4.570 0.004 0.000 0.297 94 c C 0.738 174.923 174.090 0.158 0.000 1.758 94 c CA -0.639 55.793 56.329 0.172 0.000 1.778 94 c CB -1.276 41.256 42.510 0.036 0.000 3.158 94 c HN 0.443 nan 8.230 nan 0.000 0.598 95 L N 2.563 123.665 121.223 -0.201 0.000 2.384 95 L HA 0.365 4.707 4.340 0.004 0.000 0.258 95 L C -0.731 175.426 176.870 -1.188 0.000 1.266 95 L CA 0.512 54.990 54.840 -0.603 0.000 1.162 95 L CB -0.758 40.820 42.059 -0.801 0.000 1.375 95 L HN 0.377 nan 8.230 nan 0.000 0.420 96 Y N 1.702 121.816 120.300 -0.310 0.000 2.630 96 Y HA 0.702 5.255 4.550 0.004 0.000 0.337 96 Y C -0.110 175.921 175.900 0.217 0.000 1.051 96 Y CA -1.360 56.637 58.100 -0.172 0.000 1.121 96 Y CB 1.867 40.249 38.460 -0.130 0.000 1.299 96 Y HN 0.149 nan 8.280 nan 0.000 0.498 97 L N -0.388 120.995 121.223 0.267 0.000 2.422 97 L HA 0.723 5.066 4.340 0.004 0.000 0.264 97 L C -1.649 175.252 176.870 0.051 0.000 0.984 97 L CA -1.247 53.692 54.840 0.165 0.000 0.819 97 L CB 1.859 43.925 42.059 0.011 0.000 1.330 97 L HN 0.546 nan 8.230 nan 0.000 0.410 98 N N 2.637 121.384 118.700 0.079 0.000 2.370 98 N HA 0.851 5.594 4.740 0.004 0.000 0.303 98 N C -1.173 174.266 175.510 -0.117 0.000 1.103 98 N CA -0.582 52.429 53.050 -0.065 0.000 0.848 98 N CB 2.378 40.819 38.487 -0.078 0.000 1.235 98 N HN 0.621 nan 8.380 nan 0.000 0.496 99 I N 0.231 120.648 120.570 -0.254 0.000 2.647 99 I HA 0.402 4.575 4.170 0.004 0.000 0.295 99 I C -1.001 175.047 176.117 -0.114 0.000 1.078 99 I CA -0.692 60.572 61.300 -0.061 0.000 1.048 99 I CB 2.116 40.072 38.000 -0.074 0.000 1.239 99 I HN 0.353 nan 8.210 nan 0.000 0.421 100 W N 5.481 126.947 121.300 0.276 0.000 2.499 100 W HA 0.539 5.202 4.660 0.005 0.000 0.320 100 W C -1.230 175.455 176.519 0.278 0.000 1.010 100 W CA -0.568 56.933 57.345 0.261 0.000 1.267 100 W CB 2.050 31.631 29.460 0.202 0.000 1.316 100 W HN 0.059 nan 8.180 nan 0.000 0.431 101 V N 4.883 125.092 119.914 0.491 0.000 2.459 101 V HA 0.336 4.458 4.120 0.004 0.000 0.295 101 V C -1.979 174.324 176.094 0.348 0.000 1.029 101 V CA -2.417 60.138 62.300 0.426 0.000 0.874 101 V CB 1.772 33.913 31.823 0.531 0.000 0.985 101 V HN 0.216 nan 8.190 nan 0.000 0.438 102 P HA 0.138 nan 4.420 nan 0.000 0.269 102 P C -0.559 176.874 177.300 0.221 0.000 1.217 102 P CA 0.150 63.395 63.100 0.241 0.000 0.783 102 P CB 0.558 32.361 31.700 0.172 0.000 0.898 103 S N 1.411 117.238 115.700 0.211 0.000 2.647 103 S HA 0.502 4.974 4.470 0.004 0.000 0.300 103 S C -2.553 172.136 174.600 0.149 0.000 1.129 103 S CA -1.558 56.745 58.200 0.172 0.000 1.029 103 S CB 0.154 63.453 63.200 0.165 0.000 1.007 103 S HN 0.253 nan 8.310 nan 0.000 0.484 104 P HA 0.091 nan 4.420 nan 0.000 0.267 104 P C -0.474 176.898 177.300 0.119 0.000 1.200 104 P CA -0.407 62.755 63.100 0.103 0.000 0.772 104 P CB 0.352 32.098 31.700 0.078 0.000 0.855 105 R N 3.907 124.483 120.500 0.127 0.000 2.480 105 R HA 0.093 4.436 4.340 0.004 0.000 0.303 105 R C -1.657 174.712 176.300 0.114 0.000 0.985 105 R CA -1.025 55.162 56.100 0.146 0.000 1.051 105 R CB -0.143 30.248 30.300 0.152 0.000 0.935 105 R HN 0.411 nan 8.270 nan 0.000 0.410 106 P HA -0.015 nan 4.420 nan 0.000 0.272 106 P C -0.512 176.836 177.300 0.080 0.000 1.240 106 P CA -0.132 63.020 63.100 0.088 0.000 0.791 106 P CB 0.774 32.528 31.700 0.090 0.000 0.978 107 K N 0.146 120.581 120.400 0.058 0.000 2.005 107 K HA 0.036 4.359 4.320 0.004 0.000 0.206 107 K C 0.784 177.410 176.600 0.045 0.000 1.044 107 K CA 0.708 57.023 56.287 0.048 0.000 0.942 107 K CB -0.325 32.195 32.500 0.033 0.000 0.727 107 K HN 0.269 nan 8.250 nan 0.000 0.439 108 S N 0.676 116.398 115.700 0.036 0.000 2.488 108 S HA 0.166 4.639 4.470 0.004 0.000 0.151 108 S C -1.226 173.390 174.600 0.028 0.000 1.401 108 S CA -0.661 57.555 58.200 0.027 0.000 1.221 108 S CB 1.021 64.225 63.200 0.006 0.000 1.407 108 S HN 0.390 nan 8.310 nan 0.000 0.406 109 T N 1.844 116.424 114.554 0.045 0.000 2.923 109 T HA 0.532 4.884 4.350 0.004 0.000 0.281 109 T C 0.170 174.894 174.700 0.040 0.000 0.995 109 T CA -0.078 62.046 62.100 0.040 0.000 0.985 109 T CB 0.937 69.836 68.868 0.053 0.000 1.114 109 T HN 0.459 nan 8.240 nan 0.000 0.548 110 T N 2.293 116.864 114.554 0.028 0.000 2.908 110 T HA 0.308 4.661 4.350 0.004 0.000 0.301 110 T C -0.215 174.517 174.700 0.053 0.000 1.019 110 T CA -0.250 61.864 62.100 0.023 0.000 1.152 110 T CB 0.116 68.982 68.868 -0.003 0.000 0.966 110 T HN 0.407 nan 8.240 nan 0.000 0.540 111 V N 4.805 124.756 119.914 0.063 0.000 2.581 111 V HA 0.551 4.673 4.120 0.004 0.000 0.303 111 V C 0.019 176.182 176.094 0.115 0.000 1.041 111 V CA -0.878 61.483 62.300 0.101 0.000 0.907 111 V CB 1.792 33.676 31.823 0.101 0.000 0.994 111 V HN 0.838 nan 8.190 nan 0.000 0.442 112 M N 3.703 123.404 119.600 0.169 0.000 2.204 112 M HA 0.523 5.006 4.480 0.004 0.000 0.293 112 M C -1.381 175.171 176.300 0.420 0.000 0.994 112 M CA -0.575 54.856 55.300 0.220 0.000 0.925 112 M CB 2.248 34.883 32.600 0.058 0.000 1.577 112 M HN 0.394 nan 8.290 nan 0.000 0.439 113 V N 3.217 123.400 119.914 0.449 0.000 2.370 113 V HA 0.328 4.451 4.120 0.004 0.000 0.283 113 V C -0.744 175.623 176.094 0.456 0.000 1.023 113 V CA -0.580 61.955 62.300 0.392 0.000 0.857 113 V CB 1.382 33.308 31.823 0.172 0.000 0.985 113 V HN 0.847 nan 8.190 nan 0.000 0.443 114 W N 7.016 128.415 121.300 0.166 0.000 2.338 114 W HA 0.601 5.264 4.660 0.004 0.000 0.307 114 W C -1.227 175.193 176.519 -0.165 0.000 1.167 114 W CA -0.806 56.410 57.345 -0.216 0.000 1.208 114 W CB 1.242 30.631 29.460 -0.119 0.000 1.228 114 W HN 0.456 nan 8.180 nan 0.000 0.499 115 I N 9.434 129.356 120.570 -1.079 0.000 2.359 115 I HA 0.059 4.232 4.170 0.004 0.000 0.284 115 I C -0.085 175.261 176.117 -1.284 0.000 1.018 115 I CA -1.092 59.673 61.300 -0.891 0.000 1.173 115 I CB 0.348 37.986 38.000 -0.603 0.000 1.326 115 I HN 0.297 nan 8.210 nan 0.000 0.462 116 Y N 4.571 124.395 120.300 -0.793 0.000 2.511 116 Y HA 0.594 5.146 4.550 0.004 0.000 0.347 116 Y C 0.812 176.565 175.900 -0.245 0.000 1.257 116 Y CA -0.702 57.062 58.100 -0.560 0.000 1.469 116 Y CB -0.107 38.253 38.460 -0.166 0.000 1.353 116 Y HN 0.508 nan 8.280 nan 0.000 0.617 117 G N -0.976 107.892 108.800 0.113 0.000 2.702 117 G HA2 0.497 4.459 3.960 0.004 0.000 0.254 117 G HA3 0.497 4.459 3.960 0.004 0.000 0.254 117 G C 0.334 175.236 174.900 0.003 0.000 1.380 117 G CA -0.932 44.163 45.100 -0.008 0.000 1.042 117 G HN 1.709 nan 8.290 nan 0.000 0.557 118 G N -2.903 105.726 108.800 -0.286 0.000 2.240 118 G HA2 0.400 4.363 3.960 0.004 0.000 0.181 118 G HA3 0.400 4.363 3.960 0.004 0.000 0.181 118 G C 1.036 175.403 174.900 -0.889 0.000 1.028 118 G CA 0.752 45.531 45.100 -0.534 0.000 0.760 118 G HN 2.320 nan 8.290 nan 0.000 0.508 119 G N -0.253 108.076 108.800 -0.786 0.000 2.249 119 G HA2 -0.096 3.867 3.960 0.004 0.000 0.273 119 G HA3 -0.096 3.867 3.960 0.004 0.000 0.273 119 G C 0.890 175.615 174.900 -0.291 0.000 1.036 119 G CA 0.660 45.197 45.100 -0.938 0.000 0.824 119 G HN 1.694 nan 8.290 nan 0.000 0.504 120 F N -3.444 116.479 119.950 -0.044 0.000 2.890 120 F HA -0.334 4.196 4.527 0.005 0.000 0.346 120 F C 1.531 177.464 175.800 0.222 0.000 0.660 120 F CA 2.246 60.325 58.000 0.131 0.000 1.091 120 F CB -2.095 36.813 39.000 -0.154 0.000 1.535 120 F HN 0.939 nan 8.300 nan 0.000 0.314 121 Y N -0.998 119.390 120.300 0.147 0.000 2.453 121 Y HA 0.647 5.199 4.550 0.004 0.000 0.247 121 Y C 0.624 176.615 175.900 0.152 0.000 1.124 121 Y CA 0.206 58.384 58.100 0.131 0.000 1.243 121 Y CB 0.032 38.455 38.460 -0.062 0.000 1.213 121 Y HN 0.101 nan 8.280 nan 0.000 0.523 122 S N -0.766 114.697 115.700 -0.395 0.000 2.672 122 S HA 0.888 5.360 4.470 0.004 0.000 0.271 122 S C -0.291 174.160 174.600 -0.249 0.000 1.171 122 S CA -0.468 57.566 58.200 -0.276 0.000 0.817 122 S CB 1.496 64.461 63.200 -0.391 0.000 1.150 122 S HN 1.291 nan 8.310 nan 0.000 0.478 123 G N -0.283 108.356 108.800 -0.269 0.000 2.348 123 G HA2 0.450 4.412 3.960 0.004 0.000 0.606 123 G HA3 0.450 4.412 3.960 0.004 0.000 0.606 123 G C -1.081 173.217 174.900 -1.003 0.000 1.466 123 G CA -0.242 44.564 45.100 -0.490 0.000 0.950 123 G HN 1.335 nan 8.290 nan 0.000 0.657 124 S N -1.305 113.714 115.700 -1.135 0.000 2.570 124 S HA 0.747 5.220 4.470 0.004 0.000 0.270 124 S C 0.883 175.227 174.600 -0.427 0.000 1.149 124 S CA 0.117 57.843 58.200 -0.791 0.000 0.837 124 S CB 1.779 64.784 63.200 -0.324 0.000 1.124 124 S HN 1.906 nan 8.310 nan 0.000 0.465 125 S N -0.613 115.042 115.700 -0.076 0.000 2.517 125 S HA 0.007 4.480 4.470 0.004 0.000 0.214 125 S C 1.205 175.859 174.600 0.091 0.000 0.991 125 S CA 0.617 58.971 58.200 0.258 0.000 0.906 125 S CB -0.437 62.965 63.200 0.337 0.000 0.789 125 S HN 0.823 nan 8.310 nan 0.000 0.513 126 T N 0.514 114.941 114.554 -0.212 0.000 3.163 126 T HA 0.443 4.796 4.350 0.004 0.000 0.252 126 T C 0.361 174.805 174.700 -0.427 0.000 1.056 126 T CA -0.548 61.139 62.100 -0.690 0.000 0.947 126 T CB -0.589 67.749 68.868 -0.885 0.000 1.016 126 T HN 0.287 nan 8.240 nan 0.000 0.554 127 L N 1.766 122.850 121.223 -0.232 0.000 2.439 127 L HA 0.265 4.608 4.340 0.004 0.000 0.269 127 L C 1.220 177.885 176.870 -0.341 0.000 1.179 127 L CA -0.717 53.909 54.840 -0.357 0.000 0.828 127 L CB 0.453 42.133 42.059 -0.632 0.000 1.106 127 L HN 0.036 nan 8.230 nan 0.000 0.467 128 D N 1.093 121.310 120.400 -0.305 0.000 2.149 128 D HA -0.159 4.483 4.640 0.004 0.000 0.198 128 D C 1.918 178.026 176.300 -0.320 0.000 0.990 128 D CA 1.001 54.873 54.000 -0.214 0.000 0.839 128 D CB 0.082 40.770 40.800 -0.186 0.000 0.948 128 D HN 0.350 nan 8.370 nan 0.000 0.460 129 V N 0.212 119.792 119.914 -0.558 0.000 3.305 129 V HA -0.191 3.932 4.120 0.004 0.000 0.269 129 V C 0.380 176.006 176.094 -0.781 0.000 1.157 129 V CA 1.080 63.006 62.300 -0.624 0.000 1.157 129 V CB -0.525 30.825 31.823 -0.788 0.000 0.772 129 V HN 0.159 nan 8.190 nan 0.000 0.498 130 Y N -0.822 119.032 120.300 -0.743 0.000 2.636 130 Y HA 0.428 4.981 4.550 0.004 0.000 0.260 130 Y C 0.880 176.317 175.900 -0.771 0.000 1.177 130 Y CA -1.554 55.774 58.100 -1.287 0.000 1.209 130 Y CB -0.760 37.251 38.460 -0.749 0.000 1.166 130 Y HN 0.155 nan 8.280 nan 0.000 0.531 131 N N 1.470 119.978 118.700 -0.319 0.000 2.416 131 N HA -0.011 4.731 4.740 0.004 0.000 0.271 131 N C 1.360 176.553 175.510 -0.529 0.000 1.245 131 N CA 0.579 53.465 53.050 -0.274 0.000 0.940 131 N CB 1.198 39.644 38.487 -0.067 0.000 1.175 131 N HN 0.545 nan 8.380 nan 0.000 0.483 132 G N 3.421 111.352 108.800 -1.449 0.000 2.679 132 G HA2 -0.228 3.735 3.960 0.004 0.000 0.212 132 G HA3 -0.228 3.735 3.960 0.004 0.000 0.212 132 G C 1.486 175.763 174.900 -1.038 0.000 1.137 132 G CA 0.573 44.994 45.100 -1.132 0.000 0.787 132 G HN 0.734 nan 8.290 nan 0.000 0.534 133 K N -0.316 119.267 120.400 -1.361 0.000 2.032 133 K HA -0.182 4.140 4.320 0.004 0.000 0.209 133 K C 1.905 178.311 176.600 -0.322 0.000 1.048 133 K CA 1.387 57.263 56.287 -0.684 0.000 0.927 133 K CB -0.661 31.487 32.500 -0.587 0.000 0.712 133 K HN 0.303 nan 8.250 nan 0.000 0.441 134 Y N 1.101 121.326 120.300 -0.124 0.000 2.165 134 Y HA -0.160 4.393 4.550 0.005 0.000 0.286 134 Y C 2.375 178.282 175.900 0.012 0.000 1.155 134 Y CA 0.930 59.019 58.100 -0.020 0.000 1.164 134 Y CB -0.590 37.833 38.460 -0.061 0.000 0.978 134 Y HN 0.065 nan 8.280 nan 0.000 0.513 135 L N -0.096 121.183 121.223 0.093 0.000 2.068 135 L HA 0.039 4.382 4.340 0.004 0.000 0.204 135 L C 2.413 179.311 176.870 0.047 0.000 1.076 135 L CA 1.755 56.603 54.840 0.013 0.000 0.753 135 L CB -1.239 40.753 42.059 -0.111 0.000 0.910 135 L HN 0.118 nan 8.230 nan 0.000 0.439 136 A N -1.115 121.747 122.820 0.071 0.000 1.883 136 A HA -0.327 3.996 4.320 0.004 0.000 0.217 136 A C 2.330 180.010 177.584 0.160 0.000 1.186 136 A CA 2.201 54.328 52.037 0.151 0.000 0.624 136 A CB -1.287 17.866 19.000 0.255 0.000 0.822 136 A HN 0.627 nan 8.150 nan 0.000 0.444 137 Y N 0.985 121.315 120.300 0.051 0.000 2.133 137 Y HA -0.153 4.400 4.550 0.004 0.000 0.287 137 Y C 2.690 178.622 175.900 0.054 0.000 1.134 137 Y CA 2.373 60.506 58.100 0.056 0.000 1.133 137 Y CB -0.795 37.681 38.460 0.027 0.000 0.987 137 Y HN 0.290 nan 8.280 nan 0.000 0.502 138 T N 0.398 114.937 114.554 -0.025 0.000 2.708 138 T HA -0.135 4.218 4.350 0.004 0.000 0.266 138 T C 1.114 175.748 174.700 -0.110 0.000 1.037 138 T CA 1.711 63.741 62.100 -0.117 0.000 1.146 138 T CB -0.154 68.744 68.868 0.049 0.000 0.865 138 T HN 0.273 nan 8.240 nan 0.000 0.435 139 E N 0.861 121.037 120.200 -0.040 0.000 2.423 139 E HA 0.162 4.515 4.350 0.004 0.000 0.198 139 E C -0.250 176.341 176.600 -0.016 0.000 1.038 139 E CA -0.065 56.327 56.400 -0.014 0.000 1.011 139 E CB -0.090 29.609 29.700 -0.002 0.000 1.118 139 E HN 0.540 nan 8.360 nan 0.000 0.451 140 E N -0.069 120.107 120.200 -0.040 0.000 2.106 140 E HA -0.199 4.154 4.350 0.004 0.000 0.175 140 E C -0.208 176.416 176.600 0.039 0.000 1.448 140 E CA 0.554 56.952 56.400 -0.004 0.000 0.672 140 E CB -1.362 28.328 29.700 -0.017 0.000 1.057 140 E HN 0.151 nan 8.360 nan 0.000 0.321 141 V N -3.260 116.695 119.914 0.068 0.000 2.914 141 V HA 0.639 4.761 4.120 0.004 0.000 0.314 141 V C 0.271 176.457 176.094 0.152 0.000 1.084 141 V CA -1.264 61.088 62.300 0.087 0.000 0.963 141 V CB 2.343 34.201 31.823 0.058 0.000 1.025 141 V HN -0.051 nan 8.190 nan 0.000 0.432 142 V N 4.233 124.244 119.914 0.162 0.000 2.389 142 V HA 0.331 4.454 4.120 0.004 0.000 0.264 142 V C 0.056 176.299 176.094 0.248 0.000 1.049 142 V CA -0.028 62.403 62.300 0.218 0.000 0.932 142 V CB 0.863 32.798 31.823 0.185 0.000 1.011 142 V HN 0.797 nan 8.190 nan 0.000 0.475 143 L N 6.982 128.413 121.223 0.348 0.000 2.272 143 L HA 0.624 4.967 4.340 0.004 0.000 0.289 143 L C -0.571 176.613 176.870 0.522 0.000 1.032 143 L CA -0.197 54.900 54.840 0.428 0.000 0.810 143 L CB 1.429 43.751 42.059 0.440 0.000 1.205 143 L HN 0.401 nan 8.230 nan 0.000 0.422 144 V N 3.480 123.663 119.914 0.447 0.000 2.581 144 V HA 0.474 4.597 4.120 0.004 0.000 0.303 144 V C -0.077 176.305 176.094 0.481 0.000 1.041 144 V CA -0.516 62.011 62.300 0.378 0.000 0.907 144 V CB 1.824 33.777 31.823 0.217 0.000 0.994 144 V HN 0.779 nan 8.190 nan 0.000 0.442 145 S N 5.024 120.999 115.700 0.458 0.000 2.653 145 S HA 0.576 5.049 4.470 0.004 0.000 0.272 145 S C -0.634 174.163 174.600 0.329 0.000 1.221 145 S CA -0.735 57.768 58.200 0.505 0.000 1.149 145 S CB 0.276 63.901 63.200 0.709 0.000 1.029 145 S HN 0.645 nan 8.310 nan 0.000 0.481 146 L N 3.130 124.480 121.223 0.211 0.000 2.600 146 L HA 0.946 5.289 4.340 0.004 0.000 0.221 146 L C 0.197 177.228 176.870 0.269 0.000 1.197 146 L CA -0.334 54.590 54.840 0.140 0.000 0.838 146 L CB -0.300 41.718 42.059 -0.068 0.000 1.474 146 L HN 0.658 nan 8.230 nan 0.000 0.514 147 S N -1.825 114.075 115.700 0.334 0.000 2.570 147 S HA 0.830 5.303 4.470 0.004 0.000 0.270 147 S C -1.267 173.603 174.600 0.451 0.000 1.149 147 S CA -0.512 57.954 58.200 0.442 0.000 0.837 147 S CB 1.336 64.811 63.200 0.458 0.000 1.124 147 S HN 1.276 nan 8.310 nan 0.000 0.465 148 Y N -1.311 119.127 120.300 0.231 0.000 2.609 148 Y HA 0.725 5.277 4.550 0.004 0.000 0.336 148 Y C -0.749 175.286 175.900 0.224 0.000 1.129 148 Y CA -1.402 56.806 58.100 0.180 0.000 1.040 148 Y CB 0.713 39.223 38.460 0.084 0.000 1.310 148 Y HN 0.798 nan 8.280 nan 0.000 0.460 149 R N 1.715 122.339 120.500 0.206 0.000 2.543 149 R HA 0.535 4.878 4.340 0.004 0.000 0.277 149 R C -0.038 176.408 176.300 0.244 0.000 1.074 149 R CA -0.184 55.996 56.100 0.132 0.000 1.076 149 R CB 1.030 31.373 30.300 0.072 0.000 0.993 149 R HN 0.715 nan 8.270 nan 0.000 0.459 150 V N -0.032 120.054 119.914 0.287 0.000 3.229 150 V HA 0.869 4.992 4.120 0.004 0.000 0.310 150 V C 0.796 177.172 176.094 0.470 0.000 1.206 150 V CA -0.088 62.500 62.300 0.480 0.000 1.051 150 V CB 0.932 32.938 31.823 0.304 0.000 1.183 150 V HN 0.953 nan 8.190 nan 0.000 0.466 151 G N 0.017 109.119 108.800 0.504 0.000 2.578 151 G HA2 -0.028 3.935 3.960 0.004 0.000 0.284 151 G HA3 -0.028 3.935 3.960 0.004 0.000 0.284 151 G C 1.049 176.060 174.900 0.184 0.000 1.283 151 G CA 1.317 46.631 45.100 0.357 0.000 0.944 151 G HN 2.201 nan 8.290 nan 0.000 0.558 152 A N -1.431 121.208 122.820 -0.302 0.000 1.883 152 A HA 0.162 4.485 4.320 0.004 0.000 0.217 152 A C 2.280 179.774 177.584 -0.150 0.000 1.186 152 A CA 2.770 54.365 52.037 -0.735 0.000 0.624 152 A CB -0.601 17.816 19.000 -0.971 0.000 0.822 152 A HN 1.054 nan 8.150 nan 0.000 0.444 153 F N 0.183 120.196 119.950 0.105 0.000 2.141 153 F HA -0.179 4.350 4.527 0.004 0.000 0.300 153 F C 2.449 178.240 175.800 -0.015 0.000 1.079 153 F CA 1.307 59.307 58.000 0.002 0.000 1.264 153 F CB -0.991 37.962 39.000 -0.077 0.000 1.011 153 F HN 0.297 nan 8.300 nan 0.000 0.487 154 G N -3.193 105.673 108.800 0.109 0.000 2.939 154 G HA2 0.105 4.068 3.960 0.004 0.000 0.216 154 G HA3 0.105 4.068 3.960 0.004 0.000 0.216 154 G C 0.791 175.212 174.900 -0.798 0.000 1.125 154 G CA 0.082 45.007 45.100 -0.292 0.000 0.766 154 G HN 0.333 nan 8.290 nan 0.000 0.541 155 F N -0.651 119.377 119.950 0.130 0.000 2.915 155 F HA 0.395 4.925 4.527 0.005 0.000 0.347 155 F C 0.388 176.232 175.800 0.073 0.000 1.104 155 F CA -1.104 56.949 58.000 0.089 0.000 1.126 155 F CB 0.339 39.404 39.000 0.107 0.000 1.145 155 F HN -0.055 nan 8.300 nan 0.000 0.541 156 L N 2.428 123.651 121.223 0.000 0.000 2.601 156 L HA 0.403 4.745 4.340 0.004 0.000 0.277 156 L C 0.062 176.908 176.870 -0.039 0.000 1.219 156 L CA 0.160 54.882 54.840 -0.197 0.000 0.915 156 L CB 0.062 41.722 42.059 -0.665 0.000 1.160 156 L HN 0.148 nan 8.230 nan 0.000 0.494 157 A N 6.988 129.846 122.820 0.062 0.000 2.332 157 A HA 0.626 4.949 4.320 0.004 0.000 0.300 157 A C -0.761 176.845 177.584 0.035 0.000 1.153 157 A CA -0.521 51.548 52.037 0.053 0.000 0.764 157 A CB 0.646 19.712 19.000 0.110 0.000 1.174 157 A HN 0.738 nan 8.150 nan 0.000 0.467 158 L N 4.570 125.796 121.223 0.005 0.000 2.506 158 L HA 0.235 4.578 4.340 0.004 0.000 0.247 158 L C 0.310 177.209 176.870 0.048 0.000 1.141 158 L CA -0.565 54.284 54.840 0.014 0.000 0.973 158 L CB 0.346 42.383 42.059 -0.036 0.000 1.319 158 L HN 0.829 nan 8.230 nan 0.000 0.455 159 H N 2.306 121.377 119.070 0.002 0.000 3.125 159 H HA 0.034 4.593 4.556 0.005 0.000 0.310 159 H C 0.955 176.290 175.328 0.010 0.000 0.980 159 H CA 2.046 58.102 56.048 0.012 0.000 1.422 159 H CB 0.929 30.702 29.762 0.018 0.000 1.432 159 H HN 0.804 nan 8.280 nan 0.000 0.577 160 G N 3.396 111.948 108.800 -0.415 0.000 2.561 160 G HA2 -0.279 3.684 3.960 0.004 0.000 0.203 160 G HA3 -0.279 3.684 3.960 0.004 0.000 0.203 160 G C 0.441 175.260 174.900 -0.135 0.000 1.101 160 G CA 0.243 45.202 45.100 -0.235 0.000 0.711 160 G HN 0.824 nan 8.290 nan 0.000 0.511 161 S N 0.512 116.162 115.700 -0.082 0.000 2.573 161 S HA 0.468 4.941 4.470 0.004 0.000 0.277 161 S C 1.053 175.625 174.600 -0.047 0.000 1.346 161 S CA 0.815 58.988 58.200 -0.044 0.000 1.034 161 S CB 1.115 64.300 63.200 -0.025 0.000 0.879 161 S HN 0.345 nan 8.310 nan 0.000 0.528 162 Q N 1.738 121.526 119.800 -0.021 0.000 2.217 162 Q HA 0.199 4.542 4.340 0.004 0.000 0.217 162 Q C 0.778 176.787 176.000 0.016 0.000 0.844 162 Q CA 0.073 55.870 55.803 -0.009 0.000 0.957 162 Q CB 0.435 29.170 28.738 -0.006 0.000 1.127 162 Q HN 0.727 nan 8.270 nan 0.000 0.503 163 E N 0.780 120.995 120.200 0.024 0.000 2.385 163 E HA 0.166 4.518 4.350 0.004 0.000 0.194 163 E C -0.257 176.396 176.600 0.088 0.000 1.013 163 E CA 0.236 56.669 56.400 0.056 0.000 0.866 163 E CB 0.662 30.396 29.700 0.057 0.000 0.832 163 E HN 0.176 nan 8.360 nan 0.000 0.500 164 A N 0.246 123.092 122.820 0.043 0.000 3.330 164 A HA 0.248 4.570 4.320 0.004 0.000 0.256 164 A C -2.238 175.346 177.584 -0.001 0.000 1.185 164 A CA -0.700 51.357 52.037 0.033 0.000 0.940 164 A CB 0.385 19.335 19.000 -0.083 0.000 1.397 164 A HN -0.027 nan 8.150 nan 0.000 0.678 165 P HA 0.141 nan 4.420 nan 0.000 0.223 165 P C 0.930 178.249 177.300 0.032 0.000 1.151 165 P CA 1.842 64.940 63.100 -0.003 0.000 0.787 165 P CB 0.197 31.893 31.700 -0.005 0.000 0.788 166 G N 0.696 109.515 108.800 0.031 0.000 2.699 166 G HA2 -0.174 3.788 3.960 0.004 0.000 0.686 166 G HA3 -0.174 3.788 3.960 0.004 0.000 0.686 166 G C -0.035 174.872 174.900 0.012 0.000 1.301 166 G CA -0.279 44.853 45.100 0.053 0.000 0.816 166 G HN 0.127 nan 8.290 nan 0.000 0.595 167 N N -2.345 116.373 118.700 0.031 0.000 2.815 167 N HA -0.312 4.430 4.740 0.004 0.000 0.247 167 N C 2.069 177.447 175.510 -0.220 0.000 1.030 167 N CA 2.562 55.561 53.050 -0.086 0.000 0.881 167 N CB -1.690 36.624 38.487 -0.287 0.000 1.134 167 N HN 1.912 nan 8.380 nan 0.000 0.582 168 V N -2.365 117.417 119.914 -0.221 0.000 2.380 168 V HA -0.135 3.987 4.120 0.004 0.000 0.251 168 V C 2.396 178.360 176.094 -0.216 0.000 1.063 168 V CA 2.515 64.722 62.300 -0.156 0.000 1.055 168 V CB -1.189 30.576 31.823 -0.095 0.000 0.657 168 V HN 0.297 nan 8.190 nan 0.000 0.455 169 G N 0.136 108.594 108.800 -0.571 0.000 2.418 169 G HA2 -0.206 3.757 3.960 0.004 0.000 0.217 169 G HA3 -0.206 3.757 3.960 0.004 0.000 0.217 169 G C 1.459 176.321 174.900 -0.064 0.000 1.158 169 G CA 1.129 46.000 45.100 -0.383 0.000 0.771 169 G HN 0.462 nan 8.290 nan 0.000 0.545 170 L N 0.381 121.556 121.223 -0.081 0.000 2.191 170 L HA 0.136 4.478 4.340 0.004 0.000 0.212 170 L C 2.757 179.712 176.870 0.141 0.000 1.103 170 L CA 1.001 55.823 54.840 -0.029 0.000 0.769 170 L CB -0.414 41.410 42.059 -0.391 0.000 0.908 170 L HN 0.202 nan 8.230 nan 0.000 0.438 171 L N -1.358 119.926 121.223 0.101 0.000 2.095 171 L HA -0.147 4.195 4.340 0.004 0.000 0.204 171 L C 2.054 179.016 176.870 0.152 0.000 1.080 171 L CA 0.787 55.734 54.840 0.179 0.000 0.759 171 L CB -0.670 41.465 42.059 0.128 0.000 0.914 171 L HN 0.212 nan 8.230 nan 0.000 0.439 172 D N 0.043 120.530 120.400 0.145 0.000 2.190 172 D HA -0.224 4.419 4.640 0.004 0.000 0.200 172 D C 2.189 178.583 176.300 0.156 0.000 0.992 172 D CA 1.180 55.326 54.000 0.244 0.000 0.854 172 D CB -0.091 40.886 40.800 0.296 0.000 0.936 172 D HN 0.453 nan 8.370 nan 0.000 0.462 173 Q N 0.017 119.872 119.800 0.091 0.000 2.049 173 Q HA -0.066 4.277 4.340 0.004 0.000 0.198 173 Q C 2.316 178.237 176.000 -0.130 0.000 0.971 173 Q CA 0.721 56.501 55.803 -0.040 0.000 0.833 173 Q CB 0.012 28.772 28.738 0.036 0.000 0.896 173 Q HN 0.173 nan 8.270 nan 0.000 0.434 174 R N 0.542 121.050 120.500 0.014 0.000 2.091 174 R HA -0.154 4.189 4.340 0.004 0.000 0.238 174 R C 2.183 178.453 176.300 -0.050 0.000 1.136 174 R CA 1.439 57.515 56.100 -0.040 0.000 0.959 174 R CB -0.149 30.223 30.300 0.120 0.000 0.856 174 R HN 0.263 nan 8.270 nan 0.000 0.437 175 M N 0.011 119.608 119.600 -0.004 0.000 2.086 175 M HA -0.131 4.352 4.480 0.004 0.000 0.261 175 M C 2.226 178.452 176.300 -0.123 0.000 1.067 175 M CA 2.055 57.371 55.300 0.028 0.000 1.116 175 M CB -0.116 32.591 32.600 0.178 0.000 1.348 175 M HN 0.343 nan 8.290 nan 0.000 0.407 176 A N 0.012 122.500 122.820 -0.554 0.000 1.940 176 A HA -0.176 4.146 4.320 0.004 0.000 0.219 176 A C 1.887 179.309 177.584 -0.270 0.000 1.176 176 A CA 1.399 52.904 52.037 -0.886 0.000 0.631 176 A CB -0.869 17.324 19.000 -1.345 0.000 0.814 176 A HN 0.496 nan 8.150 nan 0.000 0.446 177 L N -0.721 120.379 121.223 -0.205 0.000 2.141 177 L HA -0.144 4.199 4.340 0.004 0.000 0.209 177 L C 2.556 179.439 176.870 0.021 0.000 1.094 177 L CA 2.220 57.007 54.840 -0.089 0.000 0.763 177 L CB -0.695 41.266 42.059 -0.164 0.000 0.908 177 L HN 0.581 nan 8.230 nan 0.000 0.437 178 Q N -1.584 118.233 119.800 0.028 0.000 2.016 178 Q HA -0.267 4.076 4.340 0.004 0.000 0.200 178 Q C 2.158 178.259 176.000 0.167 0.000 0.978 178 Q CA 1.944 57.803 55.803 0.094 0.000 0.833 178 Q CB -0.713 28.075 28.738 0.083 0.000 0.895 178 Q HN 0.494 nan 8.270 nan 0.000 0.427 179 W N -0.426 120.864 121.300 -0.017 0.000 2.342 179 W HA -0.195 4.468 4.660 0.004 0.000 0.297 179 W C 1.743 178.253 176.519 -0.015 0.000 1.213 179 W CA 1.732 59.082 57.345 0.008 0.000 1.251 179 W CB -0.078 29.392 29.460 0.016 0.000 1.136 179 W HN 0.050 nan 8.180 nan 0.000 0.526 180 V N -0.230 119.855 119.914 0.286 0.000 2.358 180 V HA -0.352 3.770 4.120 0.004 0.000 0.246 180 V C 2.185 178.280 176.094 0.001 0.000 1.047 180 V CA 2.404 64.796 62.300 0.152 0.000 1.035 180 V CB -1.331 30.571 31.823 0.132 0.000 0.658 180 V HN 0.307 nan 8.190 nan 0.000 0.452 181 H N 0.683 119.722 119.070 -0.052 0.000 2.387 181 H HA -0.167 4.392 4.556 0.004 0.000 0.299 181 H C 1.860 177.084 175.328 -0.173 0.000 1.099 181 H CA 2.143 58.138 56.048 -0.088 0.000 1.315 181 H CB -0.083 29.646 29.762 -0.054 0.000 1.380 181 H HN 0.426 nan 8.280 nan 0.000 0.513 182 D N -1.059 119.176 120.400 -0.276 0.000 2.305 182 D HA -0.017 4.626 4.640 0.004 0.000 0.206 182 D C 1.066 177.022 176.300 -0.573 0.000 0.974 182 D CA 0.563 54.319 54.000 -0.407 0.000 0.871 182 D CB 0.165 40.809 40.800 -0.260 0.000 0.947 182 D HN 0.532 nan 8.370 nan 0.000 0.516 183 N N -0.089 118.220 118.700 -0.651 0.000 2.297 183 N HA 0.016 4.759 4.740 0.004 0.000 0.208 183 N C 1.547 176.836 175.510 -0.368 0.000 1.176 183 N CA -0.171 52.467 53.050 -0.687 0.000 0.882 183 N CB 1.002 38.836 38.487 -1.088 0.000 1.134 183 N HN -0.026 nan 8.380 nan 0.000 0.489 184 I N 3.380 123.794 120.570 -0.260 0.000 2.623 184 I HA -0.278 3.895 4.170 0.004 0.000 0.261 184 I C 2.553 178.661 176.117 -0.015 0.000 1.204 184 I CA 1.400 62.667 61.300 -0.056 0.000 1.444 184 I CB -0.243 37.732 38.000 -0.043 0.000 1.094 184 I HN 0.223 nan 8.210 nan 0.000 0.451 185 Q N -0.860 118.780 119.800 -0.267 0.000 2.119 185 Q HA -0.213 4.130 4.340 0.004 0.000 0.201 185 Q C 1.940 177.868 176.000 -0.120 0.000 0.972 185 Q CA 1.511 57.161 55.803 -0.255 0.000 0.847 185 Q CB -0.879 27.594 28.738 -0.442 0.000 0.903 185 Q HN 0.390 nan 8.270 nan 0.000 0.433 186 F N 0.148 120.098 119.950 0.000 0.000 2.451 186 F HA 0.027 4.557 4.527 0.005 0.000 0.299 186 F C 1.036 176.696 175.800 -0.234 0.000 1.101 186 F CA 0.285 58.201 58.000 -0.140 0.000 1.436 186 F CB -0.318 38.525 39.000 -0.263 0.000 1.074 186 F HN 0.019 nan 8.300 nan 0.000 0.553 187 F N -0.456 119.517 119.950 0.039 0.000 2.693 187 F HA 0.428 4.958 4.527 0.005 0.000 0.303 187 F C 1.761 177.596 175.800 0.058 0.000 1.097 187 F CA 0.138 58.144 58.000 0.009 0.000 1.330 187 F CB -0.232 38.737 39.000 -0.052 0.000 1.067 187 F HN 0.032 nan 8.300 nan 0.000 0.565 188 G N 0.399 109.307 108.800 0.181 0.000 2.132 188 G HA2 -0.118 3.845 3.960 0.004 0.000 0.228 188 G HA3 -0.118 3.845 3.960 0.004 0.000 0.228 188 G C 0.414 175.384 174.900 0.116 0.000 1.000 188 G CA -0.211 44.967 45.100 0.130 0.000 0.693 188 G HN 0.744 nan 8.290 nan 0.000 0.515 189 G N -0.480 108.386 108.800 0.110 0.000 2.415 189 G HA2 0.529 4.491 3.960 0.004 0.000 0.327 189 G HA3 0.529 4.491 3.960 0.004 0.000 0.327 189 G C -0.836 174.075 174.900 0.018 0.000 1.182 189 G CA -0.035 45.111 45.100 0.076 0.000 0.924 189 G HN 0.245 nan 8.290 nan 0.000 0.470 190 D N 2.829 123.237 120.400 0.014 0.000 2.352 190 D HA 0.202 4.845 4.640 0.004 0.000 0.245 190 D C -0.724 175.568 176.300 -0.013 0.000 1.224 190 D CA -2.258 51.735 54.000 -0.012 0.000 0.879 190 D CB 1.681 42.478 40.800 -0.005 0.000 1.057 190 D HN 0.104 nan 8.370 nan 0.000 0.491 191 P HA -0.155 nan 4.420 nan 0.000 0.223 191 P C 0.431 177.754 177.300 0.039 0.000 1.144 191 P CA 0.870 63.953 63.100 -0.028 0.000 0.783 191 P CB 0.276 31.877 31.700 -0.164 0.000 0.771 192 K N -0.665 119.740 120.400 0.009 0.000 2.476 192 K HA 0.130 4.452 4.320 0.004 0.000 0.196 192 K C 0.076 176.682 176.600 0.010 0.000 1.025 192 K CA 0.379 56.675 56.287 0.016 0.000 1.138 192 K CB 0.114 32.612 32.500 -0.004 0.000 0.860 192 K HN 0.009 nan 8.250 nan 0.000 0.515 193 T N 0.717 115.283 114.554 0.019 0.000 3.954 193 T HA 0.148 4.501 4.350 0.004 0.000 0.226 193 T C -0.794 173.930 174.700 0.040 0.000 1.049 193 T CA -0.366 61.741 62.100 0.012 0.000 1.481 193 T CB 0.684 69.547 68.868 -0.008 0.000 0.853 193 T HN -0.231 nan 8.240 nan 0.000 0.632 194 V N 2.013 121.975 119.914 0.079 0.000 2.394 194 V HA 0.489 4.611 4.120 0.004 0.000 0.282 194 V C 0.347 176.538 176.094 0.162 0.000 1.031 194 V CA -0.300 62.074 62.300 0.122 0.000 0.881 194 V CB 1.614 33.528 31.823 0.151 0.000 0.982 194 V HN 0.480 nan 8.190 nan 0.000 0.451 195 T N 6.708 121.349 114.554 0.144 0.000 2.842 195 T HA 0.503 4.855 4.350 0.004 0.000 0.308 195 T C -0.047 174.778 174.700 0.208 0.000 1.041 195 T CA -0.182 62.016 62.100 0.163 0.000 0.964 195 T CB 0.318 69.237 68.868 0.083 0.000 0.972 195 T HN 0.589 nan 8.240 nan 0.000 0.460 196 I N 1.991 122.653 120.570 0.152 0.000 2.474 196 I HA 0.775 4.948 4.170 0.004 0.000 0.287 196 I C -0.676 175.603 176.117 0.270 0.000 1.048 196 I CA -0.698 60.671 61.300 0.114 0.000 1.383 196 I CB 0.415 38.264 38.000 -0.251 0.000 1.412 196 I HN 0.453 nan 8.210 nan 0.000 0.531 197 F N 3.470 123.446 119.950 0.043 0.000 2.588 197 F HA 0.947 5.477 4.527 0.004 0.000 0.314 197 F C -0.481 175.290 175.800 -0.048 0.000 1.134 197 F CA -1.138 56.923 58.000 0.101 0.000 0.961 197 F CB 1.150 40.327 39.000 0.295 0.000 1.239 197 F HN 0.774 nan 8.300 nan 0.000 0.448 198 G N 1.773 110.397 108.800 -0.292 0.000 2.695 198 G HA2 0.544 4.507 3.960 0.004 0.000 0.290 198 G HA3 0.544 4.507 3.960 0.004 0.000 0.290 198 G C -2.330 172.359 174.900 -0.352 0.000 1.410 198 G CA -0.800 43.772 45.100 -0.880 0.000 0.844 198 G HN 0.824 nan 8.290 nan 0.000 0.478 199 E N 0.105 120.088 120.200 -0.361 0.000 2.256 199 E HA 0.589 4.942 4.350 0.004 0.000 0.267 199 E C 0.716 177.307 176.600 -0.015 0.000 0.892 199 E CA 0.283 56.708 56.400 0.042 0.000 0.775 199 E CB 2.128 32.033 29.700 0.341 0.000 1.207 199 E HN 0.858 nan 8.360 nan 0.000 0.420 200 S N 3.039 118.789 115.700 0.085 0.000 4.112 200 S HA -0.405 4.068 4.470 0.004 0.000 0.602 200 S C 1.525 176.231 174.600 0.177 0.000 1.939 200 S CA 2.559 60.882 58.200 0.206 0.000 4.230 200 S CB -1.644 61.649 63.200 0.155 0.000 0.245 200 S HN 1.052 nan 8.310 nan 0.000 0.530 201 A N 1.144 123.956 122.820 -0.013 0.000 2.024 201 A HA 0.145 4.468 4.320 0.004 0.000 0.220 201 A C 2.583 179.950 177.584 -0.362 0.000 1.164 201 A CA 2.479 54.332 52.037 -0.306 0.000 0.643 201 A CB -1.683 16.753 19.000 -0.941 0.000 0.806 201 A HN 1.679 nan 8.150 nan 0.000 0.451 202 G N -0.622 108.008 108.800 -0.283 0.000 2.402 202 G HA2 0.062 4.025 3.960 0.004 0.000 0.216 202 G HA3 0.062 4.025 3.960 0.004 0.000 0.216 202 G C 1.500 176.227 174.900 -0.288 0.000 1.162 202 G CA 1.167 46.040 45.100 -0.378 0.000 0.777 202 G HN 0.668 nan 8.290 nan 0.000 0.539 203 G N 1.173 109.871 108.800 -0.170 0.000 2.421 203 G HA2 0.042 4.005 3.960 0.004 0.000 0.216 203 G HA3 0.042 4.005 3.960 0.004 0.000 0.216 203 G C 2.072 176.878 174.900 -0.157 0.000 1.171 203 G CA 1.580 46.611 45.100 -0.115 0.000 0.775 203 G HN 0.616 nan 8.290 nan 0.000 0.543 204 A N 0.880 123.628 122.820 -0.120 0.000 1.865 204 A HA -0.051 4.272 4.320 0.004 0.000 0.217 204 A C 2.708 180.218 177.584 -0.124 0.000 1.191 204 A CA 2.409 54.344 52.037 -0.170 0.000 0.623 204 A CB -0.870 18.041 19.000 -0.149 0.000 0.826 204 A HN 0.316 nan 8.150 nan 0.000 0.444 205 S N -0.590 115.066 115.700 -0.073 0.000 2.374 205 S HA -0.169 4.303 4.470 0.004 0.000 0.227 205 S C 1.909 176.429 174.600 -0.133 0.000 1.037 205 S CA 1.493 59.633 58.200 -0.099 0.000 1.024 205 S CB -0.590 62.512 63.200 -0.164 0.000 0.861 205 S HN 0.350 nan 8.310 nan 0.000 0.456 206 V N 1.493 121.330 119.914 -0.127 0.000 2.255 206 V HA -0.195 3.927 4.120 0.004 0.000 0.247 206 V C 2.649 178.679 176.094 -0.107 0.000 1.051 206 V CA 2.096 64.327 62.300 -0.115 0.000 1.018 206 V CB -1.501 30.233 31.823 -0.147 0.000 0.641 206 V HN 0.602 nan 8.190 nan 0.000 0.445 207 G N -0.932 107.751 108.800 -0.195 0.000 2.450 207 G HA2 -0.292 3.671 3.960 0.004 0.000 0.220 207 G HA3 -0.292 3.671 3.960 0.004 0.000 0.220 207 G C 1.579 176.458 174.900 -0.035 0.000 1.130 207 G CA 1.179 46.133 45.100 -0.245 0.000 0.760 207 G HN 0.471 nan 8.290 nan 0.000 0.557 208 M N -0.263 119.323 119.600 -0.024 0.000 2.296 208 M HA 0.009 4.492 4.480 0.004 0.000 0.265 208 M C 2.167 178.552 176.300 0.142 0.000 1.064 208 M CA 0.841 56.240 55.300 0.165 0.000 1.109 208 M CB -0.247 32.452 32.600 0.165 0.000 1.396 208 M HN 0.197 nan 8.290 nan 0.000 0.430 209 H N 0.040 119.204 119.070 0.156 0.000 2.502 209 H HA 0.074 4.633 4.556 0.004 0.000 0.283 209 H C 2.124 177.649 175.328 0.328 0.000 1.015 209 H CA 0.955 57.093 56.048 0.151 0.000 1.298 209 H CB 0.191 29.925 29.762 -0.047 0.000 1.411 209 H HN 0.328 nan 8.280 nan 0.000 0.556 210 I N 0.648 121.476 120.570 0.431 0.000 2.202 210 I HA -0.220 3.953 4.170 0.004 0.000 0.242 210 I C 2.511 178.874 176.117 0.410 0.000 1.091 210 I CA 0.841 62.456 61.300 0.525 0.000 1.368 210 I CB -0.883 37.357 38.000 0.400 0.000 1.058 210 I HN 0.167 nan 8.210 nan 0.000 0.410 211 L N 0.236 121.671 121.223 0.353 0.000 1.976 211 L HA -0.143 4.199 4.340 0.004 0.000 0.209 211 L C 1.608 178.616 176.870 0.230 0.000 1.071 211 L CA 0.769 55.823 54.840 0.357 0.000 0.746 211 L CB -0.567 41.739 42.059 0.411 0.000 0.890 211 L HN 0.137 nan 8.230 nan 0.000 0.432 212 S N -0.049 115.705 115.700 0.089 0.000 2.544 212 S HA 0.025 4.498 4.470 0.004 0.000 0.290 212 S C -1.485 173.015 174.600 -0.167 0.000 1.276 212 S CA -1.176 56.877 58.200 -0.243 0.000 1.075 212 S CB 0.847 63.472 63.200 -0.959 0.000 0.849 212 S HN -0.049 nan 8.310 nan 0.000 0.494 213 P HA 0.004 nan 4.420 nan 0.000 0.217 213 P C 1.322 178.535 177.300 -0.145 0.000 1.150 213 P CA 0.944 63.979 63.100 -0.109 0.000 0.832 213 P CB -0.100 31.544 31.700 -0.093 0.000 0.787 214 G N -1.415 107.243 108.800 -0.238 0.000 2.776 214 G HA2 -0.088 3.875 3.960 0.004 0.000 0.209 214 G HA3 -0.088 3.875 3.960 0.004 0.000 0.209 214 G C 1.124 175.929 174.900 -0.158 0.000 1.145 214 G CA 0.481 45.453 45.100 -0.213 0.000 0.791 214 G HN 0.227 nan 8.290 nan 0.000 0.530 215 S N -0.833 114.808 115.700 -0.097 0.000 2.663 215 S HA 0.114 4.587 4.470 0.004 0.000 0.247 215 S C 2.046 176.712 174.600 0.111 0.000 1.074 215 S CA -0.509 57.732 58.200 0.068 0.000 0.955 215 S CB 0.256 63.621 63.200 0.276 0.000 0.901 215 S HN 0.343 nan 8.310 nan 0.000 0.505 216 R N 2.215 122.724 120.500 0.014 0.000 2.153 216 R HA -0.143 4.199 4.340 0.004 0.000 0.252 216 R C 0.386 176.450 176.300 -0.394 0.000 1.158 216 R CA 1.729 57.714 56.100 -0.190 0.000 0.975 216 R CB -0.518 29.718 30.300 -0.106 0.000 0.871 216 R HN 0.382 nan 8.270 nan 0.000 0.450 217 D N 0.166 120.419 120.400 -0.245 0.000 2.319 217 D HA 0.027 4.669 4.640 0.004 0.000 0.230 217 D C 0.978 177.112 176.300 -0.277 0.000 1.094 217 D CA 0.461 54.304 54.000 -0.262 0.000 0.856 217 D CB 0.290 40.967 40.800 -0.207 0.000 0.915 217 D HN 0.263 nan 8.370 nan 0.000 0.517 218 L N 0.141 121.257 121.223 -0.178 0.000 2.700 218 L HA 0.194 4.537 4.340 0.004 0.000 0.234 218 L C -0.388 176.606 176.870 0.206 0.000 1.156 218 L CA -0.163 54.657 54.840 -0.035 0.000 0.946 218 L CB -0.118 41.959 42.059 0.030 0.000 1.216 218 L HN -0.076 nan 8.230 nan 0.000 0.493 219 F N -4.712 115.208 119.950 -0.049 0.000 2.770 219 F HA 0.477 5.007 4.527 0.004 0.000 0.313 219 F C 0.151 175.958 175.800 0.012 0.000 1.154 219 F CA -1.329 56.669 58.000 -0.004 0.000 0.923 219 F CB 0.996 40.000 39.000 0.007 0.000 1.301 219 F HN -0.370 nan 8.300 nan 0.000 0.449 220 R N 0.704 121.284 120.500 0.134 0.000 2.072 220 R HA 0.503 4.846 4.340 0.004 0.000 0.214 220 R C 0.137 176.504 176.300 0.112 0.000 1.168 220 R CA 0.996 57.111 56.100 0.025 0.000 1.020 220 R CB 0.250 30.563 30.300 0.022 0.000 0.914 220 R HN 0.783 nan 8.270 nan 0.000 0.449 221 R N -1.203 119.435 120.500 0.230 0.000 3.029 221 R HA 0.800 5.143 4.340 0.004 0.000 0.239 221 R C -1.297 175.250 176.300 0.412 0.000 1.351 221 R CA -0.740 55.513 56.100 0.255 0.000 1.052 221 R CB 1.896 32.188 30.300 -0.013 0.000 1.354 221 R HN 0.227 nan 8.270 nan 0.000 0.499 222 A N 0.731 123.789 122.820 0.396 0.000 2.566 222 A HA 0.584 4.907 4.320 0.004 0.000 0.297 222 A C -1.402 176.314 177.584 0.221 0.000 1.059 222 A CA -0.598 51.598 52.037 0.265 0.000 0.691 222 A CB 1.234 20.341 19.000 0.178 0.000 1.282 222 A HN 0.543 nan 8.150 nan 0.000 0.401 223 I N 1.810 122.463 120.570 0.138 0.000 2.466 223 I HA 0.436 4.609 4.170 0.004 0.000 0.289 223 I C -1.406 174.763 176.117 0.086 0.000 1.026 223 I CA -0.666 60.638 61.300 0.008 0.000 1.078 223 I CB 1.868 39.835 38.000 -0.056 0.000 1.249 223 I HN 0.470 nan 8.210 nan 0.000 0.429 224 L N 6.599 127.844 121.223 0.038 0.000 2.333 224 L HA 0.463 4.805 4.340 0.004 0.000 0.280 224 L C -0.480 176.475 176.870 0.143 0.000 1.004 224 L CA -0.260 54.605 54.840 0.042 0.000 0.820 224 L CB 1.599 43.617 42.059 -0.069 0.000 1.247 224 L HN 0.489 nan 8.230 nan 0.000 0.416 225 Q N 1.687 121.613 119.800 0.211 0.000 2.348 225 Q HA 0.437 4.779 4.340 0.004 0.000 0.265 225 Q C 0.043 176.168 176.000 0.208 0.000 0.998 225 Q CA -0.579 55.416 55.803 0.320 0.000 0.831 225 Q CB 1.601 30.632 28.738 0.488 0.000 1.251 225 Q HN 0.661 nan 8.270 nan 0.000 0.456 226 S N 1.059 116.868 115.700 0.182 0.000 3.486 226 S HA -0.199 4.273 4.470 0.004 0.000 0.371 226 S C 0.077 174.841 174.600 0.273 0.000 1.001 226 S CA 0.642 58.971 58.200 0.214 0.000 1.164 226 S CB -1.096 62.251 63.200 0.245 0.000 0.911 226 S HN 0.919 nan 8.310 nan 0.000 0.472 227 G N -0.499 108.397 108.800 0.160 0.000 2.703 227 G HA2 0.662 4.625 3.960 0.004 0.000 0.294 227 G HA3 0.662 4.625 3.960 0.004 0.000 0.294 227 G C -1.138 173.725 174.900 -0.063 0.000 1.451 227 G CA 0.041 45.244 45.100 0.171 0.000 0.869 227 G HN 0.860 nan 8.290 nan 0.000 0.516 228 S N 1.165 116.754 115.700 -0.184 0.000 2.537 228 S HA 0.636 5.109 4.470 0.004 0.000 0.271 228 S C -2.091 172.217 174.600 -0.486 0.000 1.148 228 S CA -1.082 56.852 58.200 -0.442 0.000 0.868 228 S CB 2.808 65.761 63.200 -0.412 0.000 1.115 228 S HN 0.476 nan 8.310 nan 0.000 0.461 229 P HA -0.204 nan 4.420 nan 0.000 0.217 229 P C 0.600 177.664 177.300 -0.393 0.000 1.151 229 P CA 1.687 64.548 63.100 -0.398 0.000 0.849 229 P CB -0.275 31.231 31.700 -0.323 0.000 0.787 230 N N -0.957 117.541 118.700 -0.336 0.000 2.383 230 N HA -0.017 4.725 4.740 0.004 0.000 0.192 230 N C -0.000 175.278 175.510 -0.386 0.000 1.141 230 N CA -0.195 52.689 53.050 -0.276 0.000 0.851 230 N CB -1.409 37.037 38.487 -0.067 0.000 0.976 230 N HN 0.056 nan 8.380 nan 0.000 0.465 231 C N 3.492 122.449 119.300 -0.571 0.000 2.596 231 C HA 0.068 4.530 4.460 0.004 0.000 0.414 231 C C -0.161 174.312 174.990 -0.862 0.000 1.396 231 C CA -0.938 57.606 59.018 -0.789 0.000 1.698 231 C CB 0.784 27.785 27.740 -1.231 0.000 2.572 231 C HN 0.366 nan 8.230 nan 0.000 0.604 232 P HA -0.164 nan 4.420 nan 0.000 0.218 232 P C 1.251 178.328 177.300 -0.372 0.000 1.146 232 P CA 2.073 64.898 63.100 -0.460 0.000 0.820 232 P CB -0.100 31.336 31.700 -0.439 0.000 0.778 233 W N -1.196 119.946 121.300 -0.264 0.000 2.996 233 W HA 0.501 5.163 4.660 0.004 0.000 0.270 233 W C 1.598 178.138 176.519 0.034 0.000 1.280 233 W CA 0.384 57.642 57.345 -0.145 0.000 1.549 233 W CB -1.334 28.040 29.460 -0.143 0.000 1.079 233 W HN -0.115 nan 8.180 nan 0.000 0.629 234 A N 1.506 123.774 122.820 -0.920 0.000 2.125 234 A HA 0.018 4.341 4.320 0.004 0.000 0.219 234 A C 1.235 178.613 177.584 -0.343 0.000 1.156 234 A CA 1.731 53.382 52.037 -0.645 0.000 0.671 234 A CB -0.656 17.771 19.000 -0.956 0.000 0.794 234 A HN 0.347 nan 8.150 nan 0.000 0.459 235 S N -2.666 112.831 115.700 -0.340 0.000 2.661 235 S HA 0.625 5.098 4.470 0.004 0.000 0.268 235 S C -0.819 173.637 174.600 -0.241 0.000 1.162 235 S CA -0.065 57.941 58.200 -0.323 0.000 0.817 235 S CB 1.074 64.030 63.200 -0.408 0.000 1.141 235 S HN 1.520 nan 8.310 nan 0.000 0.477 236 V N -1.106 118.683 119.914 -0.208 0.000 3.206 236 V HA 0.922 5.045 4.120 0.004 0.000 0.305 236 V C 0.086 176.096 176.094 -0.139 0.000 1.257 236 V CA -0.326 61.877 62.300 -0.161 0.000 1.057 236 V CB 1.012 32.755 31.823 -0.135 0.000 1.075 236 V HN 1.690 nan 8.190 nan 0.000 0.443 237 S N 0.405 116.034 115.700 -0.118 0.000 2.634 237 S HA 0.412 4.884 4.470 0.004 0.000 0.261 237 S C 0.961 175.509 174.600 -0.087 0.000 1.271 237 S CA 0.227 58.365 58.200 -0.104 0.000 0.985 237 S CB 1.333 64.477 63.200 -0.093 0.000 0.968 237 S HN 1.175 nan 8.310 nan 0.000 0.568 238 V N 1.349 121.201 119.914 -0.102 0.000 2.427 238 V HA -0.091 4.031 4.120 0.004 0.000 0.248 238 V C 2.880 178.936 176.094 -0.063 0.000 1.051 238 V CA 2.153 64.392 62.300 -0.102 0.000 1.048 238 V CB -1.656 30.010 31.823 -0.263 0.000 0.666 238 V HN 0.985 nan 8.190 nan 0.000 0.456 239 A N -0.069 122.708 122.820 -0.071 0.000 1.898 239 A HA -0.227 4.095 4.320 0.004 0.000 0.216 239 A C 2.194 179.746 177.584 -0.053 0.000 1.181 239 A CA 1.960 53.966 52.037 -0.052 0.000 0.620 239 A CB -0.459 18.510 19.000 -0.052 0.000 0.819 239 A HN 0.525 nan 8.150 nan 0.000 0.442 240 E N 0.169 120.327 120.200 -0.069 0.000 2.072 240 E HA -0.029 4.324 4.350 0.004 0.000 0.191 240 E C 1.995 178.547 176.600 -0.081 0.000 0.985 240 E CA 1.523 57.870 56.400 -0.088 0.000 0.801 240 E CB -0.876 28.760 29.700 -0.106 0.000 0.750 240 E HN 0.384 nan 8.360 nan 0.000 0.452 241 G N 0.871 109.639 108.800 -0.053 0.000 2.459 241 G HA2 -0.373 3.590 3.960 0.004 0.000 0.217 241 G HA3 -0.373 3.590 3.960 0.004 0.000 0.217 241 G C 1.762 176.671 174.900 0.016 0.000 1.183 241 G CA 1.028 46.122 45.100 -0.010 0.000 0.776 241 G HN 0.346 nan 8.290 nan 0.000 0.552 242 R N 0.306 120.811 120.500 0.009 0.000 2.080 242 R HA -0.078 4.265 4.340 0.004 0.000 0.236 242 R C 2.601 178.899 176.300 -0.003 0.000 1.137 242 R CA 1.690 57.797 56.100 0.012 0.000 0.943 242 R CB -0.416 29.890 30.300 0.011 0.000 0.846 242 R HN 0.330 nan 8.270 nan 0.000 0.431 243 R N 0.395 120.879 120.500 -0.027 0.000 2.103 243 R HA -0.171 4.171 4.340 0.004 0.000 0.242 243 R C 2.182 178.455 176.300 -0.046 0.000 1.142 243 R CA 2.065 58.139 56.100 -0.043 0.000 0.960 243 R CB -0.111 30.148 30.300 -0.069 0.000 0.858 243 R HN 0.323 nan 8.270 nan 0.000 0.439 244 R N -0.571 119.893 120.500 -0.060 0.000 2.148 244 R HA 0.006 4.348 4.340 0.004 0.000 0.223 244 R C 2.248 178.609 176.300 0.100 0.000 1.088 244 R CA 0.909 56.961 56.100 -0.079 0.000 0.985 244 R CB -0.120 30.012 30.300 -0.280 0.000 0.880 244 R HN 0.237 nan 8.270 nan 0.000 0.451 245 A N 0.875 123.773 122.820 0.131 0.000 1.872 245 A HA -0.077 4.246 4.320 0.004 0.000 0.214 245 A C 2.308 179.908 177.584 0.026 0.000 1.187 245 A CA 1.107 53.206 52.037 0.103 0.000 0.614 245 A CB -0.468 18.536 19.000 0.007 0.000 0.826 245 A HN 0.081 nan 8.150 nan 0.000 0.442 246 V N 0.166 120.085 119.914 0.008 0.000 2.407 246 V HA -0.216 3.906 4.120 0.004 0.000 0.248 246 V C 2.573 178.670 176.094 0.004 0.000 1.055 246 V CA 2.347 64.645 62.300 -0.003 0.000 1.049 246 V CB -0.716 31.102 31.823 -0.008 0.000 0.662 246 V HN 0.652 nan 8.190 nan 0.000 0.455 247 E N 0.312 120.516 120.200 0.007 0.000 2.106 247 E HA -0.195 4.158 4.350 0.004 0.000 0.192 247 E C 1.910 178.528 176.600 0.030 0.000 0.984 247 E CA 1.056 57.459 56.400 0.004 0.000 0.806 247 E CB -0.416 29.269 29.700 -0.024 0.000 0.750 247 E HN 0.416 nan 8.360 nan 0.000 0.458 248 L N -0.057 121.208 121.223 0.071 0.000 2.017 248 L HA 0.009 4.351 4.340 0.004 0.000 0.208 248 L C 2.115 179.007 176.870 0.037 0.000 1.073 248 L CA 2.435 57.330 54.840 0.091 0.000 0.745 248 L CB -1.180 40.969 42.059 0.151 0.000 0.894 248 L HN 0.223 nan 8.230 nan 0.000 0.432 249 G N -0.707 108.101 108.800 0.013 0.000 2.514 249 G HA2 -0.381 3.582 3.960 0.004 0.000 0.217 249 G HA3 -0.381 3.582 3.960 0.004 0.000 0.217 249 G C 1.787 176.698 174.900 0.017 0.000 1.198 249 G CA 0.902 46.006 45.100 0.006 0.000 0.780 249 G HN 0.452 nan 8.290 nan 0.000 0.565 250 R N 0.426 120.935 120.500 0.015 0.000 2.139 250 R HA -0.095 4.248 4.340 0.004 0.000 0.243 250 R C 2.224 178.538 176.300 0.023 0.000 1.145 250 R CA 1.531 57.640 56.100 0.016 0.000 0.976 250 R CB -0.354 29.952 30.300 0.010 0.000 0.866 250 R HN 0.354 nan 8.270 nan 0.000 0.449 251 N N 0.142 118.860 118.700 0.029 0.000 2.396 251 N HA -0.093 4.650 4.740 0.004 0.000 0.180 251 N C 0.477 176.011 175.510 0.041 0.000 1.028 251 N CA 0.850 53.922 53.050 0.037 0.000 0.893 251 N CB 0.196 38.711 38.487 0.048 0.000 0.967 251 N HN 0.266 nan 8.380 nan 0.000 0.440 252 L N 1.215 122.461 121.223 0.039 0.000 3.154 252 L HA 0.235 4.578 4.340 0.004 0.000 0.266 252 L C -0.539 176.354 176.870 0.039 0.000 1.300 252 L CA -0.343 54.522 54.840 0.042 0.000 1.028 252 L CB -0.145 41.942 42.059 0.046 0.000 1.412 252 L HN -0.078 nan 8.230 nan 0.000 0.564 253 N N -0.614 118.106 118.700 0.033 0.000 2.699 253 N HA -0.203 4.540 4.740 0.004 0.000 0.256 253 N C -0.397 175.132 175.510 0.031 0.000 0.993 253 N CA 0.622 53.689 53.050 0.030 0.000 0.759 253 N CB -1.561 36.944 38.487 0.031 0.000 0.906 253 N HN 0.323 nan 8.380 nan 0.000 0.541 254 c N 0.473 119.091 118.600 0.029 0.000 2.370 254 c HA 0.325 4.898 4.570 0.004 0.000 0.354 254 c C 1.112 175.215 174.090 0.021 0.000 1.218 254 c CA -1.222 55.126 56.329 0.031 0.000 2.154 254 c CB 1.027 43.555 42.510 0.029 0.000 2.391 254 c HN 0.500 nan 8.230 nan 0.000 0.540 255 N N 2.437 121.149 118.700 0.021 0.000 2.406 255 N HA 0.087 4.830 4.740 0.004 0.000 0.265 255 N C 0.195 175.708 175.510 0.006 0.000 1.203 255 N CA 0.133 53.188 53.050 0.008 0.000 0.945 255 N CB 0.443 38.928 38.487 -0.002 0.000 1.165 255 N HN 0.622 nan 8.380 nan 0.000 0.485 256 L N 2.947 124.172 121.223 0.003 0.000 2.653 256 L HA 0.134 4.477 4.340 0.004 0.000 0.232 256 L C 0.962 177.831 176.870 -0.002 0.000 1.169 256 L CA -0.162 54.678 54.840 -0.000 0.000 0.951 256 L CB -0.308 41.751 42.059 -0.000 0.000 1.181 256 L HN 0.362 nan 8.230 nan 0.000 0.460 257 N N -0.029 118.669 118.700 -0.003 0.000 2.446 257 N HA -0.045 4.698 4.740 0.004 0.000 0.179 257 N C 0.393 175.901 175.510 -0.004 0.000 1.054 257 N CA 0.365 53.413 53.050 -0.004 0.000 0.905 257 N CB 0.397 38.879 38.487 -0.007 0.000 0.973 257 N HN 0.369 nan 8.380 nan 0.000 0.448 258 S N -1.881 113.817 115.700 -0.003 0.000 2.533 258 S HA 0.287 4.760 4.470 0.004 0.000 0.271 258 S C -0.265 174.337 174.600 0.002 0.000 1.143 258 S CA -0.841 57.359 58.200 -0.000 0.000 0.891 258 S CB 1.490 64.689 63.200 -0.002 0.000 1.105 258 S HN -0.184 nan 8.310 nan 0.000 0.468 259 D N 1.673 122.074 120.400 0.002 0.000 2.228 259 D HA -0.074 4.569 4.640 0.004 0.000 0.203 259 D C 1.587 177.892 176.300 0.009 0.000 0.988 259 D CA 1.798 55.797 54.000 -0.002 0.000 0.864 259 D CB 0.167 40.965 40.800 -0.003 0.000 0.928 259 D HN 0.774 nan 8.370 nan 0.000 0.469 260 E N 0.108 120.321 120.200 0.021 0.000 2.016 260 E HA -0.091 4.261 4.350 0.004 0.000 0.190 260 E C 1.641 178.289 176.600 0.080 0.000 0.985 260 E CA 0.667 57.094 56.400 0.046 0.000 0.802 260 E CB -0.025 29.699 29.700 0.039 0.000 0.762 260 E HN 0.220 nan 8.360 nan 0.000 0.448 261 E N 0.662 120.892 120.200 0.050 0.000 2.502 261 E HA -0.062 4.291 4.350 0.004 0.000 0.194 261 E C 1.877 178.524 176.600 0.078 0.000 1.062 261 E CA 0.122 56.559 56.400 0.062 0.000 0.867 261 E CB 0.237 29.912 29.700 -0.043 0.000 0.888 261 E HN 0.143 nan 8.360 nan 0.000 0.510 262 L N 0.235 121.485 121.223 0.045 0.000 2.095 262 L HA 0.018 4.361 4.340 0.004 0.000 0.204 262 L C 1.908 178.794 176.870 0.028 0.000 1.080 262 L CA 1.378 56.230 54.840 0.021 0.000 0.759 262 L CB -0.267 41.783 42.059 -0.015 0.000 0.914 262 L HN -0.029 nan 8.230 nan 0.000 0.439 263 I N -1.000 119.592 120.570 0.036 0.000 2.406 263 I HA -0.225 3.948 4.170 0.004 0.000 0.249 263 I C 2.446 178.653 176.117 0.150 0.000 1.122 263 I CA 1.128 62.463 61.300 0.059 0.000 1.431 263 I CB -0.453 37.580 38.000 0.056 0.000 1.087 263 I HN 0.408 nan 8.210 nan 0.000 0.424 264 H N 0.186 119.290 119.070 0.057 0.000 2.353 264 H HA -0.280 4.279 4.556 0.004 0.000 0.298 264 H C 2.453 177.821 175.328 0.066 0.000 1.103 264 H CA 2.392 58.475 56.048 0.059 0.000 1.293 264 H CB -0.055 29.729 29.762 0.037 0.000 1.372 264 H HN 0.461 nan 8.280 nan 0.000 0.501 265 c N -0.108 118.631 118.600 0.231 0.000 2.462 265 c HA -0.059 4.514 4.570 0.004 0.000 0.278 265 c C 2.723 176.887 174.090 0.124 0.000 1.253 265 c CA 0.899 57.326 56.329 0.163 0.000 1.713 265 c CB -1.313 41.266 42.510 0.115 0.000 2.049 265 c HN 0.668 nan 8.230 nan 0.000 0.477 266 L N 0.365 121.666 121.223 0.131 0.000 2.079 266 L HA -0.143 4.200 4.340 0.004 0.000 0.210 266 L C 2.856 179.886 176.870 0.268 0.000 1.081 266 L CA 1.627 56.582 54.840 0.191 0.000 0.752 266 L CB -0.728 41.427 42.059 0.159 0.000 0.896 266 L HN 0.361 nan 8.230 nan 0.000 0.433 267 R N -0.436 120.203 120.500 0.232 0.000 2.235 267 R HA -0.129 4.213 4.340 0.004 0.000 0.213 267 R C 1.812 178.129 176.300 0.028 0.000 1.059 267 R CA 0.567 56.729 56.100 0.103 0.000 0.997 267 R CB 0.026 30.352 30.300 0.042 0.000 0.884 267 R HN 0.175 nan 8.270 nan 0.000 0.462 268 E N 0.206 120.428 120.200 0.037 0.000 2.447 268 E HA 0.038 4.390 4.350 0.004 0.000 0.195 268 E C -0.313 176.318 176.600 0.051 0.000 1.028 268 E CA 0.432 56.845 56.400 0.022 0.000 0.876 268 E CB 0.392 30.107 29.700 0.026 0.000 0.885 268 E HN -0.108 nan 8.360 nan 0.000 0.500 269 K N 1.320 121.768 120.400 0.080 0.000 2.270 269 K HA 0.166 4.489 4.320 0.004 0.000 0.276 269 K C -0.010 176.650 176.600 0.101 0.000 1.023 269 K CA -0.149 56.191 56.287 0.088 0.000 0.955 269 K CB 0.729 33.288 32.500 0.099 0.000 0.975 269 K HN -0.025 nan 8.250 nan 0.000 0.471 270 K N 2.740 123.194 120.400 0.090 0.000 2.319 270 K HA 0.015 4.338 4.320 0.004 0.000 0.265 270 K C -1.564 175.134 176.600 0.163 0.000 1.000 270 K CA -1.423 54.920 56.287 0.094 0.000 0.943 270 K CB 0.154 32.696 32.500 0.069 0.000 0.950 270 K HN 0.187 nan 8.250 nan 0.000 0.485 271 P HA -0.255 nan 4.420 nan 0.000 0.215 271 P C 1.139 178.630 177.300 0.317 0.000 1.163 271 P CA 1.292 64.642 63.100 0.418 0.000 0.894 271 P CB 0.235 32.030 31.700 0.159 0.000 0.791 272 Q N 0.131 120.047 119.800 0.194 0.000 2.181 272 Q HA -0.205 4.138 4.340 0.004 0.000 0.205 272 Q C 1.962 178.054 176.000 0.154 0.000 0.980 272 Q CA 1.702 57.605 55.803 0.167 0.000 0.862 272 Q CB -0.868 27.941 28.738 0.119 0.000 0.905 272 Q HN 0.346 nan 8.270 nan 0.000 0.429 273 E N -1.004 119.276 120.200 0.134 0.000 2.110 273 E HA -0.173 4.179 4.350 0.004 0.000 0.193 273 E C 1.572 178.234 176.600 0.104 0.000 0.988 273 E CA 0.922 57.388 56.400 0.110 0.000 0.804 273 E CB 0.015 29.771 29.700 0.094 0.000 0.745 273 E HN 0.236 nan 8.360 nan 0.000 0.458 274 L N 0.461 121.744 121.223 0.098 0.000 2.072 274 L HA -0.109 4.234 4.340 0.004 0.000 0.205 274 L C 2.130 179.035 176.870 0.058 0.000 1.079 274 L CA 1.314 56.169 54.840 0.025 0.000 0.752 274 L CB -0.371 41.613 42.059 -0.125 0.000 0.906 274 L HN 0.152 nan 8.230 nan 0.000 0.436 275 I N -0.478 120.170 120.570 0.130 0.000 2.286 275 I HA -0.301 3.871 4.170 0.004 0.000 0.248 275 I C 1.941 178.206 176.117 0.247 0.000 1.115 275 I CA 1.107 62.531 61.300 0.207 0.000 1.392 275 I CB -0.383 37.792 38.000 0.291 0.000 1.065 275 I HN 0.258 nan 8.210 nan 0.000 0.418 276 D N 0.425 120.953 120.400 0.213 0.000 2.144 276 D HA -0.133 4.510 4.640 0.004 0.000 0.199 276 D C 1.946 178.365 176.300 0.197 0.000 0.984 276 D CA 1.545 55.673 54.000 0.213 0.000 0.834 276 D CB -0.118 40.776 40.800 0.157 0.000 0.955 276 D HN 0.368 nan 8.370 nan 0.000 0.465 277 V N -1.797 118.208 119.914 0.152 0.000 3.542 277 V HA 0.192 4.315 4.120 0.004 0.000 0.296 277 V C 1.699 177.867 176.094 0.124 0.000 1.364 277 V CA 0.129 62.508 62.300 0.130 0.000 1.118 277 V CB 0.105 31.985 31.823 0.096 0.000 0.972 277 V HN -0.023 nan 8.190 nan 0.000 0.430 278 E N 0.805 121.074 120.200 0.114 0.000 2.058 278 E HA -0.246 4.107 4.350 0.004 0.000 0.194 278 E C 1.558 178.077 176.600 -0.135 0.000 0.997 278 E CA 2.515 58.920 56.400 0.008 0.000 0.801 278 E CB -0.187 29.422 29.700 -0.152 0.000 0.746 278 E HN 0.818 nan 8.360 nan 0.000 0.450 279 W N 0.903 122.183 121.300 -0.034 0.000 2.800 279 W HA 0.047 4.710 4.660 0.004 0.000 0.249 279 W C 1.644 178.113 176.519 -0.083 0.000 1.294 279 W CA -0.054 57.230 57.345 -0.102 0.000 1.402 279 W CB -0.065 29.300 29.460 -0.158 0.000 1.126 279 W HN 0.089 nan 8.180 nan 0.000 0.652 280 N N 0.366 119.145 118.700 0.130 0.000 2.520 280 N HA -0.103 4.639 4.740 0.004 0.000 0.185 280 N C 1.718 177.226 175.510 -0.002 0.000 1.068 280 N CA 1.482 54.571 53.050 0.067 0.000 0.911 280 N CB -0.471 38.056 38.487 0.067 0.000 0.961 280 N HN 0.279 nan 8.380 nan 0.000 0.446 281 V N -2.179 117.700 119.914 -0.058 0.000 3.649 281 V HA 0.244 4.367 4.120 0.004 0.000 0.275 281 V C 0.817 176.793 176.094 -0.196 0.000 1.281 281 V CA -0.090 62.130 62.300 -0.132 0.000 1.143 281 V CB -0.606 31.108 31.823 -0.181 0.000 0.892 281 V HN -0.021 nan 8.190 nan 0.000 0.441 282 L N 1.384 122.513 121.223 -0.157 0.000 2.456 282 L HA 0.202 4.545 4.340 0.004 0.000 0.272 282 L C -0.741 175.994 176.870 -0.226 0.000 1.189 282 L CA -0.950 53.787 54.840 -0.173 0.000 0.846 282 L CB 0.675 42.701 42.059 -0.054 0.000 1.111 282 L HN 0.123 nan 8.230 nan 0.000 0.475 283 P HA -0.069 nan 4.420 nan 0.000 0.215 283 P C -0.619 176.266 177.300 -0.692 0.000 1.157 283 P CA 1.275 63.937 63.100 -0.730 0.000 0.863 283 P CB 0.255 31.183 31.700 -1.287 0.000 0.787 284 F N -1.822 118.124 119.950 -0.006 0.000 2.611 284 F HA 0.390 4.920 4.527 0.005 0.000 0.324 284 F C 0.366 176.170 175.800 0.006 0.000 1.061 284 F CA -1.553 56.450 58.000 0.004 0.000 0.954 284 F CB 0.053 39.062 39.000 0.015 0.000 1.301 284 F HN -0.433 nan 8.300 nan 0.000 0.482 285 D N 0.935 121.466 120.400 0.218 0.000 2.390 285 D HA 0.492 5.134 4.640 0.004 0.000 0.249 285 D C -0.271 176.102 176.300 0.122 0.000 1.144 285 D CA 0.549 54.619 54.000 0.117 0.000 0.880 285 D CB 0.865 41.712 40.800 0.080 0.000 1.182 285 D HN 0.681 nan 8.370 nan 0.000 0.451 286 S N 0.951 116.701 115.700 0.083 0.000 2.694 286 S HA 0.693 5.166 4.470 0.004 0.000 0.273 286 S C -0.838 173.783 174.600 0.035 0.000 1.180 286 S CA -1.020 57.222 58.200 0.070 0.000 0.864 286 S CB 0.516 63.785 63.200 0.115 0.000 1.198 286 S HN 0.470 nan 8.310 nan 0.000 0.499 287 I N -3.624 116.964 120.570 0.031 0.000 2.969 287 I HA 0.812 4.985 4.170 0.004 0.000 0.307 287 I C -0.502 175.614 176.117 -0.002 0.000 1.149 287 I CA -1.095 60.222 61.300 0.029 0.000 1.008 287 I CB 1.604 39.643 38.000 0.065 0.000 1.232 287 I HN 0.797 nan 8.210 nan 0.000 0.435 288 F N 1.912 121.710 119.950 -0.255 0.000 3.091 288 F HA -0.172 4.357 4.527 0.004 0.000 0.288 288 F C -0.403 174.850 175.800 -0.910 0.000 0.907 288 F CA 0.645 58.221 58.000 -0.705 0.000 1.028 288 F CB -0.609 37.880 39.000 -0.851 0.000 1.022 288 F HN 0.625 nan 8.300 nan 0.000 0.665 289 R N 0.398 120.455 120.500 -0.739 0.000 2.621 289 R HA 0.651 4.993 4.340 0.004 0.000 0.284 289 R C -1.044 174.838 176.300 -0.696 0.000 0.998 289 R CA -0.563 55.167 56.100 -0.617 0.000 0.895 289 R CB 1.402 31.614 30.300 -0.147 0.000 1.195 289 R HN -0.026 nan 8.270 nan 0.000 0.450 290 F N -0.738 119.308 119.950 0.159 0.000 2.563 290 F HA 0.400 4.929 4.527 0.004 0.000 0.316 290 F C 1.582 177.287 175.800 -0.157 0.000 1.076 290 F CA -0.891 57.110 58.000 0.001 0.000 0.921 290 F CB 1.681 40.797 39.000 0.193 0.000 1.209 290 F HN 0.346 nan 8.300 nan 0.000 0.462 291 S N 0.766 116.315 115.700 -0.252 0.000 2.363 291 S HA -0.066 4.406 4.470 0.004 0.000 0.218 291 S C 0.132 174.347 174.600 -0.642 0.000 1.035 291 S CA 1.309 59.181 58.200 -0.548 0.000 1.043 291 S CB -0.272 62.462 63.200 -0.775 0.000 0.986 291 S HN 0.350 nan 8.310 nan 0.000 0.423 292 F N 1.600 121.543 119.950 -0.011 0.000 2.361 292 F HA 0.552 5.082 4.527 0.005 0.000 0.364 292 F C 0.114 175.934 175.800 0.033 0.000 1.117 292 F CA -0.820 57.211 58.000 0.052 0.000 1.071 292 F CB 1.009 40.072 39.000 0.105 0.000 1.188 292 F HN -0.028 nan 8.300 nan 0.000 0.464 293 V N 0.899 120.793 119.914 -0.032 0.000 3.167 293 V HA 0.739 4.861 4.120 0.004 0.000 0.310 293 V C -2.901 172.839 176.094 -0.592 0.000 1.207 293 V CA -3.370 58.593 62.300 -0.561 0.000 1.059 293 V CB 1.876 33.552 31.823 -0.244 0.000 1.079 293 V HN 0.280 nan 8.190 nan 0.000 0.446 294 P HA 0.138 nan 4.420 nan 0.000 0.266 294 P C -0.791 176.393 177.300 -0.193 0.000 1.186 294 P CA 0.524 63.356 63.100 -0.446 0.000 0.767 294 P CB 0.504 31.884 31.700 -0.533 0.000 0.820 295 V N 5.036 124.943 119.914 -0.011 0.000 2.604 295 V HA 0.390 4.513 4.120 0.004 0.000 0.305 295 V C -0.190 175.968 176.094 0.107 0.000 1.043 295 V CA -0.947 61.358 62.300 0.007 0.000 0.888 295 V CB 1.464 33.321 31.823 0.056 0.000 0.995 295 V HN 0.285 nan 8.190 nan 0.000 0.429 296 I N 6.864 127.436 120.570 0.003 0.000 2.270 296 I HA 0.176 4.349 4.170 0.004 0.000 0.300 296 I C 1.054 177.230 176.117 0.099 0.000 1.186 296 I CA -0.073 61.267 61.300 0.067 0.000 1.431 296 I CB 0.251 38.185 38.000 -0.111 0.000 1.485 296 I HN 0.824 nan 8.210 nan 0.000 0.650 297 D N 3.153 123.687 120.400 0.224 0.000 2.224 297 D HA -0.077 4.566 4.640 0.004 0.000 0.205 297 D C 1.585 178.012 176.300 0.213 0.000 0.965 297 D CA 1.168 55.301 54.000 0.222 0.000 0.852 297 D CB 0.087 41.098 40.800 0.352 0.000 0.947 297 D HN 0.577 nan 8.370 nan 0.000 0.494 298 G N 0.117 109.045 108.800 0.215 0.000 2.176 298 G HA2 -0.307 3.656 3.960 0.004 0.000 0.232 298 G HA3 -0.307 3.656 3.960 0.004 0.000 0.232 298 G C 0.793 175.790 174.900 0.161 0.000 0.986 298 G CA 0.437 45.638 45.100 0.168 0.000 0.643 298 G HN 0.478 nan 8.290 nan 0.000 0.522 299 E N -1.222 119.086 120.200 0.179 0.000 2.280 299 E HA 0.281 4.634 4.350 0.004 0.000 0.197 299 E C 1.869 178.515 176.600 0.076 0.000 0.913 299 E CA -0.067 56.401 56.400 0.114 0.000 0.995 299 E CB 0.118 29.884 29.700 0.109 0.000 0.991 299 E HN 0.309 nan 8.360 nan 0.000 0.484 300 F N 0.685 120.582 119.950 -0.087 0.000 2.186 300 F HA 0.044 4.574 4.527 0.004 0.000 0.299 300 F C 0.240 175.780 175.800 -0.432 0.000 1.090 300 F CA 0.992 58.812 58.000 -0.300 0.000 1.307 300 F CB 0.267 39.004 39.000 -0.437 0.000 1.019 300 F HN -0.119 nan 8.300 nan 0.000 0.489 301 F N 1.169 121.304 119.950 0.309 0.000 2.325 301 F HA 0.370 4.900 4.527 0.004 0.000 0.369 301 F C -1.590 174.272 175.800 0.103 0.000 1.095 301 F CA -3.003 55.110 58.000 0.188 0.000 1.082 301 F CB 0.535 39.630 39.000 0.158 0.000 1.289 301 F HN -0.222 nan 8.300 nan 0.000 0.462 302 P HA -0.165 nan 4.420 nan 0.000 0.216 302 P C 0.577 177.948 177.300 0.118 0.000 1.167 302 P CA 2.156 65.328 63.100 0.119 0.000 0.914 302 P CB 0.144 31.891 31.700 0.079 0.000 0.793 303 T N -6.195 108.436 114.554 0.128 0.000 2.645 303 T HA 0.491 4.844 4.350 0.004 0.000 0.273 303 T C -0.152 174.598 174.700 0.083 0.000 0.960 303 T CA -0.636 61.516 62.100 0.086 0.000 1.051 303 T CB 0.708 69.610 68.868 0.058 0.000 1.366 303 T HN 0.008 nan 8.240 nan 0.000 0.536 304 S N 0.076 115.796 115.700 0.034 0.000 2.579 304 S HA 0.226 4.699 4.470 0.004 0.000 0.275 304 S C 1.513 176.114 174.600 0.002 0.000 1.345 304 S CA -0.817 57.377 58.200 -0.011 0.000 1.031 304 S CB -0.291 62.897 63.200 -0.020 0.000 0.892 304 S HN 0.647 nan 8.310 nan 0.000 0.529 305 L N 0.362 121.542 121.223 -0.072 0.000 2.079 305 L HA -0.124 4.218 4.340 0.004 0.000 0.210 305 L C 2.893 179.799 176.870 0.061 0.000 1.081 305 L CA 1.884 56.704 54.840 -0.033 0.000 0.752 305 L CB -0.752 41.218 42.059 -0.149 0.000 0.896 305 L HN 0.799 nan 8.230 nan 0.000 0.433 306 E N 0.731 120.959 120.200 0.048 0.000 2.051 306 E HA -0.196 4.156 4.350 0.004 0.000 0.192 306 E C 2.292 178.961 176.600 0.116 0.000 0.991 306 E CA 1.807 58.271 56.400 0.107 0.000 0.799 306 E CB -0.117 29.625 29.700 0.070 0.000 0.748 306 E HN 0.462 nan 8.360 nan 0.000 0.449 307 S N -0.309 115.439 115.700 0.080 0.000 2.382 307 S HA -0.188 4.285 4.470 0.004 0.000 0.228 307 S C 2.151 176.806 174.600 0.092 0.000 1.027 307 S CA 1.429 59.674 58.200 0.075 0.000 0.991 307 S CB -0.420 62.809 63.200 0.048 0.000 0.823 307 S HN 0.268 nan 8.310 nan 0.000 0.469 308 M N 0.906 120.577 119.600 0.119 0.000 2.117 308 M HA 0.050 4.532 4.480 0.004 0.000 0.262 308 M C 2.225 178.684 176.300 0.265 0.000 1.065 308 M CA 1.376 56.772 55.300 0.161 0.000 1.114 308 M CB -0.634 32.093 32.600 0.212 0.000 1.361 308 M HN 0.302 nan 8.290 nan 0.000 0.408 309 L N -0.077 121.320 121.223 0.290 0.000 2.093 309 L HA -0.195 4.147 4.340 0.004 0.000 0.208 309 L C 2.154 179.235 176.870 0.351 0.000 1.085 309 L CA 0.789 55.850 54.840 0.369 0.000 0.755 309 L CB -0.716 41.461 42.059 0.196 0.000 0.904 309 L HN 0.363 nan 8.230 nan 0.000 0.435 310 N N -0.345 118.489 118.700 0.223 0.000 2.216 310 N HA -0.115 4.628 4.740 0.004 0.000 0.183 310 N C 1.940 177.563 175.510 0.189 0.000 1.017 310 N CA 1.618 54.793 53.050 0.209 0.000 0.861 310 N CB -0.093 38.481 38.487 0.145 0.000 0.986 310 N HN 0.321 nan 8.380 nan 0.000 0.428 311 S N -0.778 114.951 115.700 0.048 0.000 2.593 311 S HA 0.218 4.691 4.470 0.004 0.000 0.217 311 S C 1.384 175.671 174.600 -0.522 0.000 0.966 311 S CA 0.457 58.593 58.200 -0.107 0.000 0.914 311 S CB 0.065 63.211 63.200 -0.089 0.000 0.776 311 S HN 0.381 nan 8.310 nan 0.000 0.523 312 G N 1.952 110.294 108.800 -0.763 0.000 2.153 312 G HA2 -0.320 3.643 3.960 0.004 0.000 0.252 312 G HA3 -0.320 3.643 3.960 0.004 0.000 0.252 312 G C 0.026 174.012 174.900 -1.524 0.000 0.994 312 G CA 0.152 44.059 45.100 -1.988 0.000 0.698 312 G HN 0.673 nan 8.290 nan 0.000 0.521 313 N N 0.663 118.958 118.700 -0.676 0.000 2.819 313 N HA 0.495 5.237 4.740 0.004 0.000 0.284 313 N C -0.152 175.294 175.510 -0.106 0.000 1.196 313 N CA 0.013 52.853 53.050 -0.351 0.000 1.114 313 N CB -0.841 37.575 38.487 -0.119 0.000 1.437 313 N HN 0.749 nan 8.380 nan 0.000 0.518 314 F N -0.972 118.933 119.950 -0.074 0.000 2.769 314 F HA 0.368 4.897 4.527 0.005 0.000 0.313 314 F C -0.403 175.424 175.800 0.045 0.000 1.146 314 F CA -1.485 56.543 58.000 0.047 0.000 0.934 314 F CB 0.508 39.607 39.000 0.165 0.000 1.283 314 F HN -0.094 nan 8.300 nan 0.000 0.443 315 K N 2.038 122.687 120.400 0.416 0.000 2.484 315 K HA 0.126 4.449 4.320 0.004 0.000 0.280 315 K C -0.934 175.927 176.600 0.436 0.000 1.013 315 K CA 0.034 56.486 56.287 0.275 0.000 1.029 315 K CB 0.447 33.055 32.500 0.180 0.000 0.902 315 K HN 0.774 nan 8.250 nan 0.000 0.481 316 K N 3.441 123.966 120.400 0.209 0.000 2.334 316 K HA 0.149 4.472 4.320 0.004 0.000 0.265 316 K C -0.260 176.454 176.600 0.190 0.000 1.039 316 K CA -0.417 55.987 56.287 0.195 0.000 0.920 316 K CB 1.748 34.272 32.500 0.040 0.000 1.160 316 K HN 0.658 nan 8.250 nan 0.000 0.451 317 T N 1.245 115.993 114.554 0.323 0.000 2.587 317 T HA 0.259 4.611 4.350 0.004 0.000 0.282 317 T C -1.362 173.542 174.700 0.339 0.000 1.018 317 T CA -0.545 61.706 62.100 0.253 0.000 1.120 317 T CB 0.992 69.987 68.868 0.212 0.000 1.538 317 T HN 0.382 nan 8.240 nan 0.000 0.480 318 Q N 0.848 120.829 119.800 0.301 0.000 2.226 318 Q HA 0.773 5.115 4.340 0.004 0.000 0.256 318 Q C -0.460 175.858 176.000 0.531 0.000 0.962 318 Q CA -0.559 55.484 55.803 0.399 0.000 0.887 318 Q CB 1.544 30.510 28.738 0.381 0.000 1.282 318 Q HN 0.717 nan 8.270 nan 0.000 0.449 319 I N -1.553 119.289 120.570 0.453 0.000 2.722 319 I HA 0.688 4.861 4.170 0.004 0.000 0.295 319 I C -1.672 174.372 176.117 -0.122 0.000 1.161 319 I CA -1.349 60.079 61.300 0.214 0.000 1.032 319 I CB 1.851 39.805 38.000 -0.077 0.000 1.244 319 I HN 0.595 nan 8.210 nan 0.000 0.421 320 L N 7.403 128.309 121.223 -0.528 0.000 2.362 320 L HA 0.860 5.203 4.340 0.004 0.000 0.275 320 L C -1.365 175.332 176.870 -0.288 0.000 0.998 320 L CA -0.548 53.887 54.840 -0.675 0.000 0.820 320 L CB 1.671 42.776 42.059 -1.591 0.000 1.270 320 L HN 0.886 nan 8.230 nan 0.000 0.415 321 L N 2.321 123.519 121.223 -0.041 0.000 2.838 321 L HA 1.078 5.421 4.340 0.004 0.000 0.266 321 L C -0.868 175.849 176.870 -0.255 0.000 1.040 321 L CA -0.409 54.431 54.840 -0.001 0.000 0.906 321 L CB 1.650 43.677 42.059 -0.053 0.000 1.501 321 L HN 0.740 nan 8.230 nan 0.000 0.407 322 G N -0.167 108.217 108.800 -0.693 0.000 2.430 322 G HA2 0.609 4.572 3.960 0.004 0.000 0.300 322 G HA3 0.609 4.572 3.960 0.004 0.000 0.300 322 G C -1.469 173.035 174.900 -0.660 0.000 1.330 322 G CA 0.015 44.360 45.100 -1.258 0.000 0.813 322 G HN 1.526 nan 8.290 nan 0.000 0.487 323 V N -2.643 117.058 119.914 -0.356 0.000 3.156 323 V HA 0.873 4.996 4.120 0.004 0.000 0.310 323 V C -0.845 175.329 176.094 0.133 0.000 1.234 323 V CA -1.390 60.926 62.300 0.025 0.000 1.065 323 V CB 1.787 33.668 31.823 0.097 0.000 1.088 323 V HN 0.675 nan 8.190 nan 0.000 0.451 324 N N 0.452 119.259 118.700 0.178 0.000 2.477 324 N HA 0.447 5.190 4.740 0.004 0.000 0.284 324 N C 0.564 176.072 175.510 -0.004 0.000 1.182 324 N CA -0.402 52.731 53.050 0.138 0.000 0.949 324 N CB 1.658 40.311 38.487 0.276 0.000 1.204 324 N HN 0.926 nan 8.380 nan 0.000 0.526 325 K N -0.043 120.248 120.400 -0.181 0.000 2.057 325 K HA -0.036 4.286 4.320 0.004 0.000 0.207 325 K C -0.601 176.129 176.600 0.217 0.000 1.049 325 K CA 1.272 57.566 56.287 0.011 0.000 0.931 325 K CB 0.209 32.700 32.500 -0.015 0.000 0.714 325 K HN 0.499 nan 8.250 nan 0.000 0.440 326 D N 1.472 121.981 120.400 0.180 0.000 2.863 326 D HA 0.033 4.676 4.640 0.004 0.000 0.323 326 D C -0.062 176.380 176.300 0.236 0.000 1.286 326 D CA -0.058 54.063 54.000 0.201 0.000 0.921 326 D CB 1.201 42.092 40.800 0.151 0.000 1.024 326 D HN 0.205 nan 8.370 nan 0.000 0.505 327 E N 0.236 120.600 120.200 0.272 0.000 2.401 327 E HA -0.088 4.264 4.350 0.004 0.000 0.199 327 E C 1.799 178.610 176.600 0.351 0.000 1.023 327 E CA 0.360 56.969 56.400 0.348 0.000 0.859 327 E CB 0.293 30.172 29.700 0.298 0.000 0.780 327 E HN 0.429 nan 8.360 nan 0.000 0.523 328 G N 0.982 109.950 108.800 0.279 0.000 2.608 328 G HA2 -0.135 3.828 3.960 0.004 0.000 0.210 328 G HA3 -0.135 3.828 3.960 0.004 0.000 0.210 328 G C 1.726 176.804 174.900 0.296 0.000 1.139 328 G CA 0.556 45.830 45.100 0.289 0.000 0.812 328 G HN 0.319 nan 8.290 nan 0.000 0.529 329 S N 1.211 117.048 115.700 0.229 0.000 2.365 329 S HA -0.213 4.260 4.470 0.004 0.000 0.225 329 S C 2.056 176.685 174.600 0.049 0.000 1.039 329 S CA 1.184 59.490 58.200 0.177 0.000 1.033 329 S CB -0.641 62.556 63.200 -0.004 0.000 0.887 329 S HN 0.137 nan 8.310 nan 0.000 0.447 330 F N 2.282 122.113 119.950 -0.199 0.000 2.087 330 F HA -0.067 4.463 4.527 0.005 0.000 0.299 330 F C 1.887 177.428 175.800 -0.433 0.000 1.100 330 F CA 0.618 58.342 58.000 -0.459 0.000 1.226 330 F CB -0.908 37.677 39.000 -0.693 0.000 0.983 330 F HN 0.164 nan 8.300 nan 0.000 0.479 331 F N -0.684 119.297 119.950 0.051 0.000 2.259 331 F HA -0.102 4.428 4.527 0.004 0.000 0.298 331 F C 2.289 178.069 175.800 -0.033 0.000 1.088 331 F CA 0.744 58.706 58.000 -0.064 0.000 1.358 331 F CB -1.080 37.803 39.000 -0.195 0.000 1.040 331 F HN -0.116 nan 8.300 nan 0.000 0.505 332 L N -0.559 120.668 121.223 0.007 0.000 2.056 332 L HA -0.193 4.150 4.340 0.004 0.000 0.207 332 L C 2.468 179.137 176.870 -0.336 0.000 1.078 332 L CA 0.705 55.275 54.840 -0.451 0.000 0.749 332 L CB -0.668 40.699 42.059 -1.154 0.000 0.901 332 L HN 0.175 nan 8.230 nan 0.000 0.433 333 L N -1.131 120.119 121.223 0.045 0.000 2.042 333 L HA -0.268 4.075 4.340 0.004 0.000 0.210 333 L C 2.353 179.378 176.870 0.258 0.000 1.076 333 L CA 1.997 57.034 54.840 0.329 0.000 0.749 333 L CB -0.561 41.717 42.059 0.365 0.000 0.893 333 L HN 0.103 nan 8.230 nan 0.000 0.432 334 Y N -0.700 119.675 120.300 0.126 0.000 2.243 334 Y HA 0.122 4.675 4.550 0.004 0.000 0.293 334 Y C 2.383 178.292 175.900 0.016 0.000 1.124 334 Y CA 1.378 59.531 58.100 0.089 0.000 1.159 334 Y CB -0.549 37.931 38.460 0.033 0.000 1.008 334 Y HN 0.249 nan 8.280 nan 0.000 0.527 335 G N -1.588 107.301 108.800 0.148 0.000 3.079 335 G HA2 0.424 4.387 3.960 0.004 0.000 0.233 335 G HA3 0.424 4.387 3.960 0.004 0.000 0.233 335 G C 0.027 174.962 174.900 0.059 0.000 1.062 335 G CA 0.399 45.539 45.100 0.067 0.000 0.809 335 G HN 0.308 nan 8.290 nan 0.000 0.535 336 A N 1.653 124.511 122.820 0.063 0.000 2.305 336 A HA 0.762 5.085 4.320 0.004 0.000 0.322 336 A C -2.366 175.382 177.584 0.272 0.000 1.187 336 A CA -1.518 50.596 52.037 0.128 0.000 0.825 336 A CB 1.131 20.168 19.000 0.061 0.000 1.164 336 A HN 0.092 nan 8.150 nan 0.000 0.498 337 P HA 0.289 nan 4.420 nan 0.000 0.271 337 P C 0.841 178.218 177.300 0.129 0.000 1.216 337 P CA 1.332 64.515 63.100 0.139 0.000 0.776 337 P CB 1.222 32.966 31.700 0.073 0.000 0.881 338 G N 1.581 110.394 108.800 0.021 0.000 2.258 338 G HA2 -0.222 3.741 3.960 0.004 0.000 0.233 338 G HA3 -0.222 3.741 3.960 0.004 0.000 0.233 338 G C -0.177 174.530 174.900 -0.321 0.000 1.006 338 G CA -0.451 44.543 45.100 -0.178 0.000 0.620 338 G HN 0.430 nan 8.290 nan 0.000 0.511 339 F N 1.886 121.772 119.950 -0.107 0.000 2.384 339 F HA 0.725 5.254 4.527 0.004 0.000 0.338 339 F C 0.781 176.571 175.800 -0.017 0.000 1.103 339 F CA 0.137 58.040 58.000 -0.162 0.000 1.157 339 F CB 1.970 40.919 39.000 -0.086 0.000 1.167 339 F HN 0.170 nan 8.300 nan 0.000 0.529 340 S N 1.865 117.662 115.700 0.162 0.000 2.564 340 S HA 0.298 4.771 4.470 0.004 0.000 0.274 340 S C 0.275 175.114 174.600 0.398 0.000 1.124 340 S CA -0.856 57.478 58.200 0.224 0.000 0.869 340 S CB 1.746 64.996 63.200 0.084 0.000 1.105 340 S HN 0.774 nan 8.310 nan 0.000 0.472 341 K N 0.953 121.518 120.400 0.275 0.000 2.418 341 K HA 0.108 4.431 4.320 0.004 0.000 0.195 341 K C -0.239 176.420 176.600 0.099 0.000 1.035 341 K CA 0.777 57.149 56.287 0.142 0.000 1.003 341 K CB 0.065 32.398 32.500 -0.277 0.000 0.793 341 K HN 0.568 nan 8.250 nan 0.000 0.494 342 D N 0.458 120.923 120.400 0.108 0.000 2.402 342 D HA 0.026 4.668 4.640 0.004 0.000 0.216 342 D C 0.011 176.356 176.300 0.077 0.000 1.128 342 D CA 0.158 54.195 54.000 0.063 0.000 0.833 342 D CB 0.944 41.760 40.800 0.027 0.000 0.971 342 D HN 0.182 nan 8.370 nan 0.000 0.503 343 S N -1.161 114.608 115.700 0.115 0.000 2.705 343 S HA 0.285 4.757 4.470 0.004 0.000 0.280 343 S C 0.634 175.276 174.600 0.070 0.000 1.174 343 S CA -0.700 57.533 58.200 0.054 0.000 0.823 343 S CB 1.826 65.012 63.200 -0.023 0.000 1.162 343 S HN -0.155 nan 8.310 nan 0.000 0.487 344 E N 0.823 121.019 120.200 -0.007 0.000 2.338 344 E HA 0.061 4.414 4.350 0.004 0.000 0.197 344 E C -0.367 176.009 176.600 -0.374 0.000 1.007 344 E CA 0.705 57.089 56.400 -0.028 0.000 0.849 344 E CB -0.297 29.387 29.700 -0.026 0.000 0.774 344 E HN 0.658 nan 8.360 nan 0.000 0.506 345 S N 0.920 116.330 115.700 -0.484 0.000 3.791 345 S HA -0.142 4.331 4.470 0.004 0.000 0.393 345 S C -0.341 173.870 174.600 -0.649 0.000 0.936 345 S CA 0.501 58.234 58.200 -0.778 0.000 1.234 345 S CB -1.026 61.227 63.200 -1.579 0.000 0.891 345 S HN 0.261 nan 8.310 nan 0.000 0.519 346 K N 1.186 121.350 120.400 -0.393 0.000 2.297 346 K HA 0.329 4.651 4.320 0.004 0.000 0.286 346 K C 0.308 176.706 176.600 -0.336 0.000 1.053 346 K CA -0.284 55.828 56.287 -0.293 0.000 0.940 346 K CB 0.455 32.849 32.500 -0.177 0.000 1.019 346 K HN 0.245 nan 8.250 nan 0.000 0.475 347 I N 2.954 123.336 120.570 -0.314 0.000 2.336 347 I HA 0.049 4.222 4.170 0.004 0.000 0.292 347 I C 0.953 176.997 176.117 -0.121 0.000 0.991 347 I CA -0.369 60.771 61.300 -0.267 0.000 1.227 347 I CB 1.014 38.857 38.000 -0.261 0.000 1.366 347 I HN 0.632 nan 8.210 nan 0.000 0.466 348 S N 5.855 121.499 115.700 -0.093 0.000 2.593 348 S HA 0.192 4.665 4.470 0.004 0.000 0.269 348 S C 1.193 175.794 174.600 0.001 0.000 1.334 348 S CA -0.392 57.776 58.200 -0.053 0.000 1.015 348 S CB 1.448 64.623 63.200 -0.043 0.000 0.912 348 S HN 0.615 nan 8.310 nan 0.000 0.541 349 R N 0.935 121.424 120.500 -0.018 0.000 2.117 349 R HA -0.132 4.211 4.340 0.004 0.000 0.243 349 R C 2.181 178.545 176.300 0.106 0.000 1.143 349 R CA 2.208 58.313 56.100 0.008 0.000 0.968 349 R CB -0.847 29.432 30.300 -0.034 0.000 0.863 349 R HN 0.933 nan 8.270 nan 0.000 0.444 350 E N -0.407 119.832 120.200 0.066 0.000 2.072 350 E HA -0.173 4.179 4.350 0.004 0.000 0.191 350 E C 0.952 177.599 176.600 0.078 0.000 0.985 350 E CA 1.447 57.888 56.400 0.069 0.000 0.801 350 E CB -0.020 29.702 29.700 0.037 0.000 0.750 350 E HN 0.355 nan 8.360 nan 0.000 0.452 351 D N 0.016 120.454 120.400 0.065 0.000 2.144 351 D HA -0.141 4.502 4.640 0.004 0.000 0.200 351 D C 1.679 178.039 176.300 0.101 0.000 0.978 351 D CA 0.549 54.585 54.000 0.058 0.000 0.833 351 D CB -0.434 40.370 40.800 0.007 0.000 0.961 351 D HN 0.188 nan 8.370 nan 0.000 0.470 352 F N 1.275 121.220 119.950 -0.009 0.000 2.120 352 F HA -0.217 4.313 4.527 0.005 0.000 0.300 352 F C 2.263 178.079 175.800 0.028 0.000 1.095 352 F CA 1.465 59.471 58.000 0.012 0.000 1.249 352 F CB -0.167 38.817 39.000 -0.028 0.000 0.995 352 F HN -0.134 nan 8.300 nan 0.000 0.480 353 M N -1.061 118.618 119.600 0.131 0.000 2.349 353 M HA -0.140 4.342 4.480 0.004 0.000 0.266 353 M C 2.217 178.498 176.300 -0.032 0.000 1.076 353 M CA 1.171 56.493 55.300 0.037 0.000 1.126 353 M CB -0.421 32.259 32.600 0.134 0.000 1.392 353 M HN 0.046 nan 8.290 nan 0.000 0.440 354 S N 0.671 116.369 115.700 -0.003 0.000 2.383 354 S HA -0.052 4.421 4.470 0.004 0.000 0.227 354 S C 2.000 176.581 174.600 -0.032 0.000 1.026 354 S CA 1.353 59.551 58.200 -0.003 0.000 0.981 354 S CB -0.565 62.650 63.200 0.025 0.000 0.818 354 S HN 0.670 nan 8.310 nan 0.000 0.472 355 G N 1.476 110.240 108.800 -0.060 0.000 2.404 355 G HA2 -0.152 3.811 3.960 0.004 0.000 0.215 355 G HA3 -0.152 3.811 3.960 0.004 0.000 0.215 355 G C 1.474 176.277 174.900 -0.161 0.000 1.174 355 G CA 0.973 46.024 45.100 -0.081 0.000 0.780 355 G HN 0.398 nan 8.290 nan 0.000 0.537 356 V N 1.032 120.773 119.914 -0.288 0.000 2.282 356 V HA -0.247 3.876 4.120 0.004 0.000 0.249 356 V C 2.698 178.716 176.094 -0.127 0.000 1.057 356 V CA 2.469 64.623 62.300 -0.244 0.000 1.032 356 V CB -0.491 31.174 31.823 -0.262 0.000 0.645 356 V HN 0.446 nan 8.190 nan 0.000 0.447 357 K N -0.382 119.958 120.400 -0.100 0.000 2.097 357 K HA -0.129 4.194 4.320 0.004 0.000 0.206 357 K C 2.095 178.653 176.600 -0.070 0.000 1.049 357 K CA 1.406 57.643 56.287 -0.083 0.000 0.933 357 K CB -0.169 32.296 32.500 -0.058 0.000 0.717 357 K HN 0.407 nan 8.250 nan 0.000 0.442 358 L N 0.412 121.607 121.223 -0.045 0.000 2.217 358 L HA -0.108 4.234 4.340 0.004 0.000 0.211 358 L C 2.125 178.991 176.870 -0.006 0.000 1.107 358 L CA 0.838 55.670 54.840 -0.013 0.000 0.783 358 L CB -0.096 41.964 42.059 0.002 0.000 0.919 358 L HN 0.165 nan 8.230 nan 0.000 0.442 359 S N -0.947 114.734 115.700 -0.032 0.000 2.425 359 S HA 0.010 4.483 4.470 0.004 0.000 0.225 359 S C 1.007 175.616 174.600 0.014 0.000 1.024 359 S CA 0.413 58.606 58.200 -0.012 0.000 0.951 359 S CB 0.359 63.526 63.200 -0.056 0.000 0.796 359 S HN 0.158 nan 8.310 nan 0.000 0.498 360 V N 3.118 122.995 119.914 -0.062 0.000 2.572 360 V HA 0.211 4.334 4.120 0.004 0.000 0.274 360 V C -1.807 174.147 176.094 -0.234 0.000 1.075 360 V CA -1.335 60.870 62.300 -0.158 0.000 1.237 360 V CB 0.592 32.265 31.823 -0.251 0.000 1.517 360 V HN 0.197 nan 8.190 nan 0.000 0.616 361 P HA -0.208 nan 4.420 nan 0.000 0.220 361 P C 1.092 177.904 177.300 -0.812 0.000 1.144 361 P CA 1.658 64.567 63.100 -0.317 0.000 0.800 361 P CB 0.058 31.741 31.700 -0.029 0.000 0.772 362 H N -1.148 117.590 119.070 -0.553 0.000 2.563 362 H HA 0.441 5.000 4.556 0.004 0.000 0.264 362 H C 0.614 175.765 175.328 -0.295 0.000 0.957 362 H CA -0.126 55.623 56.048 -0.498 0.000 1.173 362 H CB -0.625 29.070 29.762 -0.112 0.000 1.420 362 H HN -0.030 nan 8.280 nan 0.000 0.551 363 A N 2.506 124.911 122.820 -0.691 0.000 2.388 363 A HA 0.238 4.561 4.320 0.004 0.000 0.257 363 A C 0.313 177.732 177.584 -0.276 0.000 1.095 363 A CA -0.361 51.400 52.037 -0.459 0.000 0.791 363 A CB 0.216 18.962 19.000 -0.423 0.000 1.029 363 A HN 0.679 nan 8.150 nan 0.000 0.489 364 N N 1.142 119.733 118.700 -0.182 0.000 2.413 364 N HA 0.158 4.901 4.740 0.004 0.000 0.266 364 N C -0.038 175.416 175.510 -0.093 0.000 1.238 364 N CA -0.495 52.483 53.050 -0.120 0.000 0.972 364 N CB 0.223 38.661 38.487 -0.082 0.000 1.210 364 N HN 0.467 nan 8.380 nan 0.000 0.547 365 D N -0.553 119.811 120.400 -0.060 0.000 2.158 365 D HA -0.158 4.485 4.640 0.004 0.000 0.197 365 D C 1.633 177.924 176.300 -0.015 0.000 0.995 365 D CA 0.904 54.884 54.000 -0.033 0.000 0.846 365 D CB -0.189 40.601 40.800 -0.017 0.000 0.941 365 D HN 0.459 nan 8.370 nan 0.000 0.456 366 L N 0.662 121.874 121.223 -0.018 0.000 2.083 366 L HA -0.004 4.339 4.340 0.004 0.000 0.209 366 L C 2.186 179.063 176.870 0.012 0.000 1.083 366 L CA 2.003 56.846 54.840 0.004 0.000 0.752 366 L CB -0.922 41.134 42.059 -0.006 0.000 0.899 366 L HN 0.060 nan 8.230 nan 0.000 0.433 367 G N -0.512 108.267 108.800 -0.035 0.000 2.421 367 G HA2 -0.227 3.736 3.960 0.004 0.000 0.216 367 G HA3 -0.227 3.736 3.960 0.004 0.000 0.216 367 G C 1.596 176.498 174.900 0.003 0.000 1.171 367 G CA 0.974 46.048 45.100 -0.044 0.000 0.775 367 G HN 0.420 nan 8.290 nan 0.000 0.543 368 L N 0.500 121.707 121.223 -0.027 0.000 2.079 368 L HA -0.109 4.234 4.340 0.004 0.000 0.210 368 L C 2.518 179.424 176.870 0.059 0.000 1.081 368 L CA 1.308 56.147 54.840 -0.002 0.000 0.752 368 L CB -0.460 41.583 42.059 -0.026 0.000 0.896 368 L HN 0.124 nan 8.230 nan 0.000 0.433 369 D N 0.168 120.609 120.400 0.068 0.000 2.117 369 D HA -0.134 4.508 4.640 0.004 0.000 0.197 369 D C 2.248 178.624 176.300 0.127 0.000 0.987 369 D CA 1.459 55.520 54.000 0.102 0.000 0.829 369 D CB -0.100 40.750 40.800 0.083 0.000 0.961 369 D HN 0.289 nan 8.370 nan 0.000 0.460 370 A N 0.601 123.512 122.820 0.152 0.000 1.865 370 A HA -0.176 4.147 4.320 0.004 0.000 0.217 370 A C 2.531 180.180 177.584 0.108 0.000 1.191 370 A CA 1.666 53.836 52.037 0.222 0.000 0.623 370 A CB -0.984 18.284 19.000 0.446 0.000 0.826 370 A HN 0.131 nan 8.150 nan 0.000 0.444 371 V N -0.076 119.941 119.914 0.171 0.000 2.231 371 V HA -0.304 3.819 4.120 0.004 0.000 0.248 371 V C 2.783 178.961 176.094 0.140 0.000 1.054 371 V CA 2.702 65.053 62.300 0.085 0.000 1.015 371 V CB -1.500 30.406 31.823 0.138 0.000 0.638 371 V HN 0.651 nan 8.190 nan 0.000 0.444 372 T N 0.492 115.147 114.554 0.169 0.000 2.665 372 T HA -0.250 4.103 4.350 0.004 0.000 0.268 372 T C 1.868 176.711 174.700 0.237 0.000 1.035 372 T CA 2.050 64.317 62.100 0.278 0.000 1.151 372 T CB -0.445 68.588 68.868 0.275 0.000 0.862 372 T HN 0.299 nan 8.240 nan 0.000 0.438 373 L N 1.134 122.462 121.223 0.174 0.000 2.046 373 L HA -0.044 4.298 4.340 0.004 0.000 0.208 373 L C 2.503 179.380 176.870 0.012 0.000 1.077 373 L CA 1.833 56.775 54.840 0.170 0.000 0.747 373 L CB -0.883 41.253 42.059 0.129 0.000 0.896 373 L HN 0.139 nan 8.230 nan 0.000 0.432 374 Q N -1.466 118.246 119.800 -0.147 0.000 2.226 374 Q HA -0.190 4.153 4.340 0.004 0.000 0.204 374 Q C 0.858 176.611 176.000 -0.412 0.000 0.975 374 Q CA 1.772 57.328 55.803 -0.412 0.000 0.866 374 Q CB -0.141 28.046 28.738 -0.918 0.000 0.915 374 Q HN 0.684 nan 8.270 nan 0.000 0.440 375 Y N -1.164 119.090 120.300 -0.077 0.000 2.636 375 Y HA 0.350 4.902 4.550 0.005 0.000 0.260 375 Y C -0.354 175.524 175.900 -0.037 0.000 1.177 375 Y CA -0.265 57.855 58.100 0.032 0.000 1.209 375 Y CB 0.964 39.548 38.460 0.206 0.000 1.166 375 Y HN -0.190 nan 8.280 nan 0.000 0.531 376 T N 0.606 115.097 114.554 -0.105 0.000 2.797 376 T HA 0.118 4.471 4.350 0.004 0.000 0.279 376 T C -0.950 173.465 174.700 -0.475 0.000 0.991 376 T CA -0.671 61.153 62.100 -0.460 0.000 0.979 376 T CB 1.204 69.600 68.868 -0.788 0.000 0.943 376 T HN -0.018 nan 8.240 nan 0.000 0.444 377 D N 1.959 122.092 120.400 -0.444 0.000 2.411 377 D HA 0.130 4.772 4.640 0.004 0.000 0.225 377 D C 0.125 176.235 176.300 -0.317 0.000 1.156 377 D CA -0.689 53.150 54.000 -0.267 0.000 0.874 377 D CB 0.417 41.111 40.800 -0.176 0.000 1.034 377 D HN 0.617 nan 8.370 nan 0.000 0.502 378 W N 3.038 124.292 121.300 -0.076 0.000 2.611 378 W HA -0.011 4.651 4.660 0.004 0.000 0.251 378 W C 2.103 178.589 176.519 -0.056 0.000 1.265 378 W CA 0.010 57.315 57.345 -0.067 0.000 1.295 378 W CB 0.004 29.430 29.460 -0.057 0.000 1.129 378 W HN 0.416 nan 8.180 nan 0.000 0.630 379 M N -1.040 118.631 119.600 0.118 0.000 2.349 379 M HA -0.050 4.433 4.480 0.004 0.000 0.266 379 M C 0.288 176.602 176.300 0.024 0.000 1.076 379 M CA 1.333 56.674 55.300 0.068 0.000 1.126 379 M CB 0.051 32.671 32.600 0.033 0.000 1.392 379 M HN -0.237 nan 8.290 nan 0.000 0.440 380 D N 0.072 120.454 120.400 -0.031 0.000 3.060 380 D HA 0.001 4.644 4.640 0.004 0.000 0.326 380 D C 0.350 176.555 176.300 -0.157 0.000 1.253 380 D CA -0.029 53.929 54.000 -0.068 0.000 0.737 380 D CB 0.191 40.953 40.800 -0.063 0.000 1.260 380 D HN 0.217 nan 8.370 nan 0.000 0.542 381 D N -0.304 119.976 120.400 -0.200 0.000 2.263 381 D HA -0.150 4.493 4.640 0.004 0.000 0.208 381 D C 0.410 176.520 176.300 -0.316 0.000 0.971 381 D CA 0.486 54.245 54.000 -0.403 0.000 0.867 381 D CB 0.063 40.520 40.800 -0.571 0.000 0.929 381 D HN 0.178 nan 8.370 nan 0.000 0.492 382 N N 0.278 118.871 118.700 -0.178 0.000 2.251 382 N HA -0.002 4.740 4.740 0.004 0.000 0.217 382 N C -0.246 175.189 175.510 -0.124 0.000 1.124 382 N CA -0.310 52.656 53.050 -0.140 0.000 0.843 382 N CB 0.086 38.526 38.487 -0.078 0.000 1.024 382 N HN 0.097 nan 8.380 nan 0.000 0.501 383 N N 0.407 119.024 118.700 -0.138 0.000 2.452 383 N HA 0.028 4.770 4.740 0.004 0.000 0.266 383 N C 1.202 176.642 175.510 -0.116 0.000 1.175 383 N CA 0.181 53.167 53.050 -0.107 0.000 0.945 383 N CB 1.158 39.587 38.487 -0.097 0.000 1.063 383 N HN 0.248 nan 8.380 nan 0.000 0.472 384 G N 4.450 113.191 108.800 -0.097 0.000 2.404 384 G HA2 -0.166 3.797 3.960 0.004 0.000 0.215 384 G HA3 -0.166 3.797 3.960 0.004 0.000 0.215 384 G C 1.526 176.367 174.900 -0.098 0.000 1.174 384 G CA 0.342 45.376 45.100 -0.110 0.000 0.780 384 G HN 0.653 nan 8.290 nan 0.000 0.537 385 I N 0.917 121.447 120.570 -0.066 0.000 2.286 385 I HA -0.101 4.072 4.170 0.004 0.000 0.248 385 I C 2.554 178.670 176.117 -0.001 0.000 1.115 385 I CA 1.226 62.510 61.300 -0.027 0.000 1.392 385 I CB -0.815 37.185 38.000 -0.001 0.000 1.065 385 I HN 0.212 nan 8.210 nan 0.000 0.418 386 K N 0.431 120.813 120.400 -0.030 0.000 2.097 386 K HA -0.115 4.208 4.320 0.004 0.000 0.205 386 K C 1.877 178.468 176.600 -0.014 0.000 1.050 386 K CA 0.883 57.155 56.287 -0.026 0.000 0.938 386 K CB -0.004 32.447 32.500 -0.082 0.000 0.718 386 K HN 0.313 nan 8.250 nan 0.000 0.442 387 N N 0.812 119.474 118.700 -0.063 0.000 2.106 387 N HA -0.154 4.588 4.740 0.004 0.000 0.188 387 N C 1.748 177.412 175.510 0.257 0.000 1.029 387 N CA 0.819 53.882 53.050 0.022 0.000 0.848 387 N CB -0.189 38.273 38.487 -0.043 0.000 1.007 387 N HN 0.153 nan 8.380 nan 0.000 0.423 388 R N 1.433 121.995 120.500 0.104 0.000 2.080 388 R HA -0.132 4.211 4.340 0.004 0.000 0.236 388 R C 0.747 177.218 176.300 0.285 0.000 1.137 388 R CA 1.571 57.751 56.100 0.132 0.000 0.943 388 R CB -0.334 29.920 30.300 -0.077 0.000 0.846 388 R HN 0.160 nan 8.270 nan 0.000 0.431 389 D N -0.776 119.759 120.400 0.224 0.000 2.218 389 D HA -0.084 4.559 4.640 0.004 0.000 0.204 389 D C 1.645 178.113 176.300 0.281 0.000 0.976 389 D CA 1.323 55.473 54.000 0.251 0.000 0.853 389 D CB -0.315 40.599 40.800 0.191 0.000 0.939 389 D HN 0.529 nan 8.370 nan 0.000 0.481 390 G N 0.691 109.678 108.800 0.312 0.000 2.394 390 G HA2 -0.153 3.810 3.960 0.004 0.000 0.214 390 G HA3 -0.153 3.810 3.960 0.004 0.000 0.214 390 G C 1.803 176.898 174.900 0.325 0.000 1.176 390 G CA 0.022 45.369 45.100 0.411 0.000 0.786 390 G HN 0.228 nan 8.290 nan 0.000 0.533 391 L N 0.525 121.935 121.223 0.311 0.000 2.042 391 L HA -0.111 4.231 4.340 0.004 0.000 0.210 391 L C 2.600 179.539 176.870 0.114 0.000 1.076 391 L CA 1.633 56.544 54.840 0.120 0.000 0.749 391 L CB -0.349 41.838 42.059 0.213 0.000 0.893 391 L HN 0.264 nan 8.230 nan 0.000 0.432 392 D N -0.077 120.457 120.400 0.223 0.000 2.123 392 D HA -0.240 4.403 4.640 0.004 0.000 0.196 392 D C 1.738 178.141 176.300 0.172 0.000 0.992 392 D CA 1.523 55.654 54.000 0.218 0.000 0.833 392 D CB 0.054 41.033 40.800 0.299 0.000 0.954 392 D HN 0.220 nan 8.370 nan 0.000 0.455 393 D N -0.453 120.067 120.400 0.200 0.000 2.149 393 D HA -0.066 4.577 4.640 0.004 0.000 0.201 393 D C 2.289 178.639 176.300 0.083 0.000 0.972 393 D CA 0.408 54.546 54.000 0.230 0.000 0.835 393 D CB -0.084 40.966 40.800 0.417 0.000 0.966 393 D HN 0.378 nan 8.370 nan 0.000 0.476 394 I N 0.495 120.975 120.570 -0.150 0.000 2.113 394 I HA -0.245 3.927 4.170 0.004 0.000 0.238 394 I C 2.487 178.456 176.117 -0.247 0.000 1.070 394 I CA 0.706 61.797 61.300 -0.349 0.000 1.332 394 I CB -0.219 37.542 38.000 -0.399 0.000 1.044 394 I HN -0.132 nan 8.210 nan 0.000 0.402 395 V N 1.052 120.880 119.914 -0.142 0.000 2.287 395 V HA -0.277 3.846 4.120 0.004 0.000 0.248 395 V C 2.551 178.519 176.094 -0.209 0.000 1.053 395 V CA 2.351 64.568 62.300 -0.138 0.000 1.027 395 V CB -1.542 30.276 31.823 -0.007 0.000 0.646 395 V HN 0.621 nan 8.190 nan 0.000 0.447 396 G N -0.497 108.259 108.800 -0.073 0.000 2.421 396 G HA2 -0.253 3.710 3.960 0.004 0.000 0.216 396 G HA3 -0.253 3.710 3.960 0.004 0.000 0.216 396 G C 1.270 176.095 174.900 -0.126 0.000 1.171 396 G CA 1.069 46.146 45.100 -0.039 0.000 0.775 396 G HN 0.511 nan 8.290 nan 0.000 0.543 397 D N -0.347 119.979 120.400 -0.124 0.000 2.117 397 D HA -0.079 4.564 4.640 0.004 0.000 0.198 397 D C 2.102 178.067 176.300 -0.557 0.000 0.982 397 D CA 1.271 55.167 54.000 -0.174 0.000 0.828 397 D CB -0.344 40.515 40.800 0.099 0.000 0.967 397 D HN 0.430 nan 8.370 nan 0.000 0.464 398 H N 0.893 119.338 119.070 -1.041 0.000 2.363 398 H HA 0.066 4.624 4.556 0.004 0.000 0.301 398 H C 1.494 176.424 175.328 -0.664 0.000 1.074 398 H CA 1.507 56.823 56.048 -1.220 0.000 1.354 398 H CB 0.090 28.956 29.762 -1.493 0.000 1.397 398 H HN -0.016 nan 8.280 nan 0.000 0.516 399 N N -0.614 117.569 118.700 -0.861 0.000 2.402 399 N HA -0.010 4.733 4.740 0.004 0.000 0.174 399 N C 1.330 176.507 175.510 -0.554 0.000 1.027 399 N CA 1.117 53.576 53.050 -0.986 0.000 0.891 399 N CB 0.924 38.241 38.487 -1.949 0.000 1.016 399 N HN 0.265 nan 8.380 nan 0.000 0.439 400 V N 0.738 120.421 119.914 -0.385 0.000 3.134 400 V HA 0.151 4.274 4.120 0.004 0.000 0.222 400 V C 2.125 178.187 176.094 -0.053 0.000 1.247 400 V CA 0.006 62.240 62.300 -0.110 0.000 1.281 400 V CB -0.032 31.805 31.823 0.023 0.000 1.169 400 V HN -0.058 nan 8.190 nan 0.000 0.512 401 I N 0.577 121.128 120.570 -0.031 0.000 2.099 401 I HA -0.301 3.872 4.170 0.004 0.000 0.239 401 I C 2.580 178.700 176.117 0.005 0.000 1.066 401 I CA 1.940 63.247 61.300 0.011 0.000 1.324 401 I CB -0.562 37.476 38.000 0.064 0.000 1.037 401 I HN 0.373 nan 8.210 nan 0.000 0.401 402 c N 0.614 119.210 118.600 -0.006 0.000 2.440 402 c HA -0.041 4.532 4.570 0.004 0.000 0.278 402 c C 0.281 174.408 174.090 0.063 0.000 1.295 402 c CA 0.723 57.093 56.329 0.068 0.000 1.738 402 c CB -1.834 40.758 42.510 0.137 0.000 1.987 402 c HN 0.372 nan 8.230 nan 0.000 0.492 403 P HA -0.090 nan 4.420 nan 0.000 0.217 403 P C 1.737 179.072 177.300 0.058 0.000 1.150 403 P CA 1.053 64.142 63.100 -0.018 0.000 0.832 403 P CB -0.192 31.409 31.700 -0.165 0.000 0.787 404 L N -1.923 119.310 121.223 0.016 0.000 2.141 404 L HA -0.111 4.231 4.340 0.004 0.000 0.209 404 L C 2.017 178.935 176.870 0.079 0.000 1.094 404 L CA 1.503 56.368 54.840 0.041 0.000 0.763 404 L CB -0.445 41.605 42.059 -0.014 0.000 0.908 404 L HN -0.099 nan 8.230 nan 0.000 0.437 405 M N -1.090 118.543 119.600 0.055 0.000 2.200 405 M HA -0.183 4.300 4.480 0.004 0.000 0.265 405 M C 2.222 178.577 176.300 0.092 0.000 1.066 405 M CA 1.519 56.841 55.300 0.036 0.000 1.127 405 M CB -1.494 31.144 32.600 0.064 0.000 1.379 405 M HN 0.403 nan 8.290 nan 0.000 0.420 406 H N -0.009 119.102 119.070 0.069 0.000 2.353 406 H HA -0.179 4.380 4.556 0.004 0.000 0.300 406 H C 1.829 177.208 175.328 0.086 0.000 1.090 406 H CA 2.031 58.128 56.048 0.081 0.000 1.327 406 H CB -0.361 29.448 29.762 0.079 0.000 1.383 406 H HN 0.230 nan 8.280 nan 0.000 0.508 407 F N 0.083 119.985 119.950 -0.080 0.000 2.075 407 F HA -0.179 4.350 4.527 0.004 0.000 0.297 407 F C 2.566 178.284 175.800 -0.138 0.000 1.113 407 F CA 1.593 59.508 58.000 -0.142 0.000 1.218 407 F CB -1.032 37.893 39.000 -0.125 0.000 0.984 407 F HN 0.127 nan 8.300 nan 0.000 0.472 408 V N 1.174 120.985 119.914 -0.172 0.000 2.392 408 V HA -0.295 3.828 4.120 0.004 0.000 0.249 408 V C 2.193 178.136 176.094 -0.251 0.000 1.059 408 V CA 2.523 64.621 62.300 -0.336 0.000 1.051 408 V CB -0.645 30.907 31.823 -0.451 0.000 0.658 408 V HN 0.444 nan 8.190 nan 0.000 0.455 409 N N 0.003 118.625 118.700 -0.130 0.000 2.106 409 N HA -0.108 4.635 4.740 0.004 0.000 0.188 409 N C 1.831 177.307 175.510 -0.056 0.000 1.029 409 N CA 1.268 54.331 53.050 0.022 0.000 0.848 409 N CB -0.312 38.213 38.487 0.063 0.000 1.007 409 N HN 0.407 nan 8.380 nan 0.000 0.423 410 K N 0.594 120.880 120.400 -0.189 0.000 2.057 410 K HA -0.134 4.188 4.320 0.004 0.000 0.207 410 K C 1.984 178.557 176.600 -0.044 0.000 1.049 410 K CA 0.776 56.981 56.287 -0.136 0.000 0.931 410 K CB -0.719 31.638 32.500 -0.238 0.000 0.714 410 K HN 0.322 nan 8.250 nan 0.000 0.440 411 Y N 2.178 122.228 120.300 -0.415 0.000 2.184 411 Y HA -0.177 4.376 4.550 0.004 0.000 0.290 411 Y C 2.158 178.024 175.900 -0.055 0.000 1.129 411 Y CA 1.810 59.656 58.100 -0.424 0.000 1.144 411 Y CB -0.358 37.520 38.460 -0.969 0.000 0.995 411 Y HN 0.022 nan 8.280 nan 0.000 0.513 412 T N 0.575 115.145 114.554 0.026 0.000 2.897 412 T HA -0.228 4.125 4.350 0.004 0.000 0.271 412 T C 1.749 176.414 174.700 -0.058 0.000 1.084 412 T CA 1.623 63.760 62.100 0.062 0.000 1.123 412 T CB -0.279 68.731 68.868 0.238 0.000 0.865 412 T HN 0.301 nan 8.240 nan 0.000 0.496 413 K N -0.342 119.974 120.400 -0.140 0.000 2.439 413 K HA 0.014 4.336 4.320 0.004 0.000 0.197 413 K C 0.698 176.913 176.600 -0.642 0.000 1.041 413 K CA 0.897 56.957 56.287 -0.379 0.000 0.970 413 K CB 0.029 32.236 32.500 -0.488 0.000 0.773 413 K HN 0.352 nan 8.250 nan 0.000 0.479 414 F N -0.948 118.938 119.950 -0.105 0.000 2.815 414 F HA 0.276 4.806 4.527 0.005 0.000 0.328 414 F C 1.320 177.001 175.800 -0.198 0.000 0.982 414 F CA -0.242 57.666 58.000 -0.154 0.000 1.154 414 F CB -0.189 38.681 39.000 -0.216 0.000 0.980 414 F HN -0.082 nan 8.300 nan 0.000 0.603 415 G N 0.202 108.888 108.800 -0.189 0.000 2.716 415 G HA2 -0.064 3.899 3.960 0.004 0.000 0.251 415 G HA3 -0.064 3.899 3.960 0.004 0.000 0.251 415 G C 0.281 175.198 174.900 0.028 0.000 1.224 415 G CA -0.278 44.711 45.100 -0.185 0.000 0.891 415 G HN 0.340 nan 8.290 nan 0.000 0.561 416 N N 0.041 118.814 118.700 0.122 0.000 2.453 416 N HA 0.353 5.096 4.740 0.004 0.000 0.270 416 N C 0.281 175.867 175.510 0.128 0.000 1.195 416 N CA 0.389 53.501 53.050 0.103 0.000 0.902 416 N CB -0.062 38.484 38.487 0.098 0.000 1.186 416 N HN 0.951 nan 8.380 nan 0.000 0.510 417 G N 0.529 109.405 108.800 0.126 0.000 2.634 417 G HA2 -0.057 3.905 3.960 0.004 0.000 0.568 417 G HA3 -0.057 3.905 3.960 0.004 0.000 0.568 417 G C -1.183 173.753 174.900 0.060 0.000 1.495 417 G CA -0.893 44.246 45.100 0.065 0.000 0.903 417 G HN 0.068 nan 8.290 nan 0.000 0.646 418 T N 1.404 115.856 114.554 -0.171 0.000 2.881 418 T HA 0.665 5.017 4.350 0.004 0.000 0.290 418 T C -1.338 173.099 174.700 -0.439 0.000 1.000 418 T CA -0.429 61.593 62.100 -0.130 0.000 0.978 418 T CB 1.484 70.393 68.868 0.069 0.000 0.997 418 T HN 0.497 nan 8.240 nan 0.000 0.443 419 Y N 2.041 122.297 120.300 -0.073 0.000 2.326 419 Y HA 0.641 5.194 4.550 0.004 0.000 0.329 419 Y C -0.495 175.541 175.900 0.227 0.000 0.973 419 Y CA -1.116 56.904 58.100 -0.133 0.000 1.162 419 Y CB 1.464 39.378 38.460 -0.909 0.000 1.147 419 Y HN 0.475 nan 8.280 nan 0.000 0.456 420 L N 5.976 127.633 121.223 0.722 0.000 2.317 420 L HA 0.654 4.996 4.340 0.004 0.000 0.281 420 L C -1.186 176.102 176.870 0.695 0.000 1.024 420 L CA -0.931 54.230 54.840 0.534 0.000 0.810 420 L CB 0.744 42.943 42.059 0.234 0.000 1.240 420 L HN 0.528 nan 8.230 nan 0.000 0.427 421 Y N 3.005 123.535 120.300 0.384 0.000 2.605 421 Y HA 0.723 5.276 4.550 0.004 0.000 0.343 421 Y C -1.689 174.396 175.900 0.308 0.000 1.036 421 Y CA -1.892 56.331 58.100 0.205 0.000 1.065 421 Y CB 1.334 39.834 38.460 0.067 0.000 1.288 421 Y HN 0.524 nan 8.280 nan 0.000 0.481 422 F N 4.165 124.347 119.950 0.386 0.000 2.676 422 F HA 0.427 4.956 4.527 0.004 0.000 0.371 422 F C -1.766 174.285 175.800 0.417 0.000 1.141 422 F CA -1.911 56.250 58.000 0.268 0.000 1.133 422 F CB 0.393 39.521 39.000 0.213 0.000 1.376 422 F HN 0.575 nan 8.300 nan 0.000 0.491 423 F N 7.206 127.182 119.950 0.043 0.000 2.506 423 F HA 0.237 4.767 4.527 0.006 0.000 0.371 423 F C 0.534 176.102 175.800 -0.387 0.000 1.078 423 F CA 0.234 58.200 58.000 -0.056 0.000 1.195 423 F CB 0.616 39.678 39.000 0.103 0.000 1.099 423 F HN 0.567 nan 8.300 nan 0.000 0.548 424 N N 3.138 121.426 118.700 -0.687 0.000 2.390 424 N HA 0.046 4.789 4.740 0.004 0.000 0.259 424 N C -1.112 174.125 175.510 -0.456 0.000 1.395 424 N CA -0.482 52.270 53.050 -0.497 0.000 0.852 424 N CB -0.790 37.533 38.487 -0.272 0.000 1.371 424 N HN 0.627 nan 8.380 nan 0.000 0.491 425 H N 1.085 119.554 119.070 -1.002 0.000 2.604 425 H HA 0.409 4.968 4.556 0.004 0.000 0.306 425 H C -0.322 174.800 175.328 -0.342 0.000 1.075 425 H CA -0.438 55.206 56.048 -0.672 0.000 1.357 425 H CB 0.914 30.166 29.762 -0.850 0.000 1.426 425 H HN 0.072 nan 8.280 nan 0.000 0.470 426 R N 4.227 124.296 120.500 -0.719 0.000 2.202 426 R HA 0.479 4.822 4.340 0.004 0.000 0.334 426 R C -0.579 175.427 176.300 -0.490 0.000 1.036 426 R CA -0.633 55.230 56.100 -0.395 0.000 0.878 426 R CB 0.322 30.497 30.300 -0.207 0.000 1.067 426 R HN 0.818 nan 8.270 nan 0.000 0.457 427 A N 2.967 125.764 122.820 -0.038 0.000 2.540 427 A HA -0.000 4.323 4.320 0.004 0.000 0.239 427 A C 1.261 178.912 177.584 0.112 0.000 1.061 427 A CA 0.461 52.655 52.037 0.262 0.000 0.758 427 A CB 0.324 19.639 19.000 0.525 0.000 0.991 427 A HN 0.986 nan 8.150 nan 0.000 0.502 428 S N 1.247 117.051 115.700 0.174 0.000 2.507 428 S HA -0.144 4.329 4.470 0.004 0.000 0.235 428 S C 0.803 175.399 174.600 -0.007 0.000 0.988 428 S CA 1.056 59.301 58.200 0.076 0.000 0.944 428 S CB -0.433 62.838 63.200 0.119 0.000 0.762 428 S HN 0.936 nan 8.310 nan 0.000 0.526 429 N N 0.170 118.836 118.700 -0.057 0.000 2.187 429 N HA 0.214 4.956 4.740 0.004 0.000 0.212 429 N C 0.051 175.484 175.510 -0.129 0.000 1.152 429 N CA -0.483 52.470 53.050 -0.162 0.000 0.872 429 N CB -0.294 37.972 38.487 -0.369 0.000 1.025 429 N HN 0.207 nan 8.380 nan 0.000 0.514 430 L N 1.975 123.171 121.223 -0.044 0.000 2.573 430 L HA -0.043 4.300 4.340 0.004 0.000 0.290 430 L C 1.436 178.242 176.870 -0.107 0.000 1.247 430 L CA 0.556 55.375 54.840 -0.035 0.000 0.876 430 L CB 0.861 42.913 42.059 -0.011 0.000 1.123 430 L HN 0.264 nan 8.230 nan 0.000 0.505 431 V N 0.628 120.422 119.914 -0.200 0.000 3.590 431 V HA 0.084 4.207 4.120 0.004 0.000 0.265 431 V C 0.555 176.555 176.094 -0.157 0.000 1.239 431 V CA -0.546 61.588 62.300 -0.277 0.000 1.117 431 V CB -0.653 30.806 31.823 -0.607 0.000 0.818 431 V HN 0.633 nan 8.190 nan 0.000 0.451 432 W N 2.347 123.592 121.300 -0.091 0.000 2.251 432 W HA 0.518 5.180 4.660 0.004 0.000 0.329 432 W C -1.738 174.627 176.519 -0.256 0.000 1.234 432 W CA -2.253 54.979 57.345 -0.187 0.000 1.228 432 W CB 0.062 29.257 29.460 -0.442 0.000 1.135 432 W HN -0.005 nan 8.180 nan 0.000 0.576 433 P HA -0.113 nan 4.420 nan 0.000 0.268 433 P C 0.502 177.689 177.300 -0.188 0.000 1.208 433 P CA 0.429 63.475 63.100 -0.090 0.000 0.777 433 P CB 1.017 32.713 31.700 -0.006 0.000 0.875 434 E N 1.782 121.958 120.200 -0.040 0.000 2.070 434 E HA -0.186 4.166 4.350 0.004 0.000 0.197 434 E C 1.978 178.590 176.600 0.020 0.000 1.004 434 E CA 1.661 58.057 56.400 -0.006 0.000 0.805 434 E CB -0.712 29.025 29.700 0.061 0.000 0.744 434 E HN 0.734 nan 8.360 nan 0.000 0.451 435 W N 0.555 121.882 121.300 0.046 0.000 2.331 435 W HA -0.171 4.491 4.660 0.004 0.000 0.291 435 W C 1.567 178.129 176.519 0.072 0.000 1.214 435 W CA 0.734 58.117 57.345 0.064 0.000 1.228 435 W CB -0.966 28.540 29.460 0.076 0.000 1.135 435 W HN 0.001 nan 8.180 nan 0.000 0.537 436 M N 1.493 120.706 119.600 -0.645 0.000 2.630 436 M HA 0.098 4.581 4.480 0.004 0.000 0.254 436 M C 1.819 177.963 176.300 -0.260 0.000 1.092 436 M CA 1.393 56.252 55.300 -0.735 0.000 1.087 436 M CB -0.918 30.995 32.600 -1.145 0.000 1.453 436 M HN 0.183 nan 8.290 nan 0.000 0.509 437 G N 0.757 109.484 108.800 -0.123 0.000 2.627 437 G HA2 -0.305 3.658 3.960 0.004 0.000 0.312 437 G HA3 -0.305 3.658 3.960 0.004 0.000 0.312 437 G C -0.071 174.798 174.900 -0.051 0.000 1.299 437 G CA -0.068 45.008 45.100 -0.040 0.000 0.989 437 G HN 0.241 nan 8.290 nan 0.000 0.547 438 V N 1.693 121.617 119.914 0.017 0.000 2.276 438 V HA 0.355 4.477 4.120 0.004 0.000 0.249 438 V C 1.055 177.238 176.094 0.149 0.000 1.160 438 V CA -0.025 62.331 62.300 0.094 0.000 1.042 438 V CB -0.206 31.672 31.823 0.092 0.000 1.224 438 V HN 0.507 nan 8.190 nan 0.000 0.496 439 I N 2.812 123.430 120.570 0.080 0.000 2.892 439 I HA 0.032 4.205 4.170 0.004 0.000 0.287 439 I C 1.010 177.368 176.117 0.402 0.000 1.205 439 I CA -0.037 61.333 61.300 0.117 0.000 1.409 439 I CB 0.076 37.919 38.000 -0.260 0.000 1.367 439 I HN 0.566 nan 8.210 nan 0.000 0.597 440 H N 4.175 123.440 119.070 0.325 0.000 3.070 440 H HA 0.229 4.787 4.556 0.004 0.000 0.313 440 H C 1.064 176.582 175.328 0.318 0.000 0.997 440 H CA 0.993 57.229 56.048 0.313 0.000 1.438 440 H CB 0.176 30.125 29.762 0.311 0.000 1.455 440 H HN 0.729 nan 8.280 nan 0.000 0.575 441 G N 3.601 112.309 108.800 -0.153 0.000 2.199 441 G HA2 -0.339 3.623 3.960 0.004 0.000 0.254 441 G HA3 -0.339 3.623 3.960 0.004 0.000 0.254 441 G C 0.535 175.484 174.900 0.081 0.000 0.982 441 G CA 0.472 45.501 45.100 -0.117 0.000 0.632 441 G HN 0.646 nan 8.290 nan 0.000 0.529 442 Y N 1.515 121.967 120.300 0.253 0.000 2.470 442 Y HA 0.256 4.809 4.550 0.005 0.000 0.302 442 Y C 2.237 178.235 175.900 0.163 0.000 1.194 442 Y CA 0.882 59.170 58.100 0.313 0.000 1.271 442 Y CB 0.368 39.041 38.460 0.355 0.000 1.092 442 Y HN 0.530 nan 8.280 nan 0.000 0.513 443 E N -0.594 119.554 120.200 -0.086 0.000 2.415 443 E HA -0.051 4.301 4.350 0.004 0.000 0.197 443 E C 1.667 178.193 176.600 -0.125 0.000 1.007 443 E CA 0.514 56.525 56.400 -0.650 0.000 0.890 443 E CB -0.215 28.836 29.700 -1.082 0.000 0.891 443 E HN 0.311 nan 8.360 nan 0.000 0.496 444 I N 3.483 124.094 120.570 0.067 0.000 2.091 444 I HA -0.328 3.845 4.170 0.004 0.000 0.239 444 I C 2.656 178.861 176.117 0.148 0.000 1.061 444 I CA 2.276 63.687 61.300 0.186 0.000 1.317 444 I CB -1.399 36.763 38.000 0.270 0.000 1.031 444 I HN 0.344 nan 8.210 nan 0.000 0.401 445 E N 0.709 120.941 120.200 0.053 0.000 2.171 445 E HA -0.263 4.089 4.350 0.004 0.000 0.197 445 E C 2.220 178.702 176.600 -0.196 0.000 0.997 445 E CA 1.636 57.989 56.400 -0.078 0.000 0.810 445 E CB -0.753 28.886 29.700 -0.102 0.000 0.738 445 E HN 0.416 nan 8.360 nan 0.000 0.467 446 F N 1.034 120.897 119.950 -0.146 0.000 2.293 446 F HA -0.033 4.496 4.527 0.005 0.000 0.297 446 F C 2.398 178.023 175.800 -0.291 0.000 1.089 446 F CA 0.606 58.482 58.000 -0.207 0.000 1.377 446 F CB -0.115 38.810 39.000 -0.123 0.000 1.051 446 F HN -0.127 nan 8.300 nan 0.000 0.511 447 V N -1.229 118.589 119.914 -0.161 0.000 2.548 447 V HA -0.240 3.883 4.120 0.004 0.000 0.249 447 V C 1.479 177.329 176.094 -0.405 0.000 1.055 447 V CA 1.496 63.534 62.300 -0.437 0.000 1.065 447 V CB -0.579 30.999 31.823 -0.408 0.000 0.681 447 V HN 0.200 nan 8.190 nan 0.000 0.462 448 F N 0.340 120.168 119.950 -0.202 0.000 2.732 448 F HA 0.426 4.956 4.527 0.004 0.000 0.303 448 F C 1.775 177.484 175.800 -0.151 0.000 1.110 448 F CA 0.608 58.514 58.000 -0.157 0.000 1.355 448 F CB -0.099 38.795 39.000 -0.177 0.000 1.081 448 F HN 0.237 nan 8.300 nan 0.000 0.565 449 G N 0.135 108.852 108.800 -0.138 0.000 2.153 449 G HA2 -0.282 3.681 3.960 0.004 0.000 0.252 449 G HA3 -0.282 3.681 3.960 0.004 0.000 0.252 449 G C 1.147 175.749 174.900 -0.496 0.000 0.994 449 G CA 0.342 45.292 45.100 -0.250 0.000 0.698 449 G HN 0.269 nan 8.290 nan 0.000 0.521 450 L N -0.203 120.714 121.223 -0.509 0.000 2.261 450 L HA -0.053 4.289 4.340 0.004 0.000 0.216 450 L C 0.165 176.648 176.870 -0.645 0.000 1.114 450 L CA 2.403 56.899 54.840 -0.572 0.000 0.777 450 L CB -1.759 40.090 42.059 -0.350 0.000 0.910 450 L HN 0.233 nan 8.230 nan 0.000 0.440 451 P HA -0.071 nan 4.420 nan 0.000 0.229 451 P C 1.792 178.850 177.300 -0.404 0.000 1.160 451 P CA 0.511 62.995 63.100 -1.027 0.000 0.777 451 P CB 0.162 31.155 31.700 -1.179 0.000 0.814 452 L N -1.576 119.419 121.223 -0.380 0.000 2.362 452 L HA -0.061 4.281 4.340 0.004 0.000 0.219 452 L C 0.761 177.515 176.870 -0.193 0.000 1.134 452 L CA 1.102 55.803 54.840 -0.232 0.000 0.807 452 L CB -0.862 41.083 42.059 -0.191 0.000 0.927 452 L HN -0.216 nan 8.230 nan 0.000 0.447 453 V N 0.659 120.411 119.914 -0.270 0.000 2.352 453 V HA 0.015 4.138 4.120 0.004 0.000 0.253 453 V C 1.450 177.506 176.094 -0.064 0.000 1.083 453 V CA -0.273 61.923 62.300 -0.173 0.000 0.993 453 V CB 0.074 31.751 31.823 -0.243 0.000 1.111 453 V HN 0.357 nan 8.190 nan 0.000 0.490 454 K N 2.640 123.016 120.400 -0.040 0.000 2.127 454 K HA -0.272 4.050 4.320 0.004 0.000 0.208 454 K C 1.672 178.258 176.600 -0.024 0.000 1.047 454 K CA 1.872 58.149 56.287 -0.018 0.000 0.927 454 K CB 0.090 32.579 32.500 -0.018 0.000 0.716 454 K HN 0.613 nan 8.250 nan 0.000 0.450 455 E N 0.979 121.158 120.200 -0.035 0.000 2.153 455 E HA -0.112 4.241 4.350 0.004 0.000 0.194 455 E C 1.675 178.233 176.600 -0.070 0.000 0.988 455 E CA 0.747 57.118 56.400 -0.048 0.000 0.811 455 E CB -0.164 29.509 29.700 -0.044 0.000 0.746 455 E HN 0.258 nan 8.360 nan 0.000 0.466 456 L N 0.719 121.904 121.223 -0.064 0.000 2.549 456 L HA -0.072 4.271 4.340 0.004 0.000 0.230 456 L C -0.085 176.642 176.870 -0.238 0.000 1.162 456 L CA 0.157 54.926 54.840 -0.118 0.000 0.834 456 L CB -0.582 41.477 42.059 -0.000 0.000 0.947 456 L HN 0.196 nan 8.230 nan 0.000 0.452 457 N N -1.428 117.188 118.700 -0.140 0.000 2.758 457 N HA -0.222 4.521 4.740 0.004 0.000 0.248 457 N C -0.593 174.800 175.510 -0.194 0.000 1.076 457 N CA 0.788 53.748 53.050 -0.150 0.000 0.696 457 N CB -1.615 36.771 38.487 -0.168 0.000 0.979 457 N HN 0.305 nan 8.380 nan 0.000 0.550 458 Y N 0.400 120.661 120.300 -0.064 0.000 2.392 458 Y HA 0.377 4.930 4.550 0.004 0.000 0.323 458 Y C 1.723 177.614 175.900 -0.015 0.000 1.291 458 Y CA -0.110 57.966 58.100 -0.041 0.000 1.345 458 Y CB 0.714 39.118 38.460 -0.093 0.000 1.320 458 Y HN 0.113 nan 8.280 nan 0.000 0.518 459 T N -1.815 112.875 114.554 0.227 0.000 2.918 459 T HA 0.532 4.885 4.350 0.004 0.000 0.283 459 T C 1.070 175.829 174.700 0.099 0.000 1.001 459 T CA -0.293 61.885 62.100 0.131 0.000 1.041 459 T CB 1.453 70.400 68.868 0.131 0.000 1.028 459 T HN 0.771 nan 8.240 nan 0.000 0.511 460 A N 1.576 124.430 122.820 0.057 0.000 1.873 460 A HA -0.143 4.180 4.320 0.004 0.000 0.218 460 A C 2.104 179.703 177.584 0.024 0.000 1.193 460 A CA 2.129 54.184 52.037 0.030 0.000 0.629 460 A CB -1.253 17.759 19.000 0.021 0.000 0.826 460 A HN 0.942 nan 8.150 nan 0.000 0.447 461 E N 0.260 120.479 120.200 0.032 0.000 2.118 461 E HA -0.185 4.168 4.350 0.004 0.000 0.195 461 E C 1.846 178.450 176.600 0.007 0.000 0.992 461 E CA 1.591 57.999 56.400 0.012 0.000 0.804 461 E CB -0.326 29.383 29.700 0.015 0.000 0.741 461 E HN 0.798 nan 8.360 nan 0.000 0.458 462 E N 0.349 120.588 120.200 0.065 0.000 2.152 462 E HA -0.179 4.174 4.350 0.004 0.000 0.192 462 E C 2.032 178.652 176.600 0.034 0.000 0.983 462 E CA 0.826 57.306 56.400 0.134 0.000 0.818 462 E CB -0.019 29.867 29.700 0.311 0.000 0.758 462 E HN 0.358 nan 8.360 nan 0.000 0.467 463 E N 0.810 120.992 120.200 -0.030 0.000 2.106 463 E HA -0.178 4.175 4.350 0.004 0.000 0.192 463 E C 2.014 178.582 176.600 -0.055 0.000 0.984 463 E CA 0.845 57.188 56.400 -0.094 0.000 0.806 463 E CB 0.002 29.662 29.700 -0.067 0.000 0.750 463 E HN 0.200 nan 8.360 nan 0.000 0.458 464 A N 1.286 124.091 122.820 -0.026 0.000 1.877 464 A HA -0.179 4.144 4.320 0.004 0.000 0.216 464 A C 2.143 179.716 177.584 -0.018 0.000 1.186 464 A CA 1.375 53.395 52.037 -0.028 0.000 0.620 464 A CB -0.764 18.221 19.000 -0.024 0.000 0.822 464 A HN 0.389 nan 8.150 nan 0.000 0.443 465 L N 0.053 121.279 121.223 0.006 0.000 2.012 465 L HA -0.140 4.203 4.340 0.004 0.000 0.210 465 L C 2.587 179.518 176.870 0.102 0.000 1.073 465 L CA 2.777 57.635 54.840 0.030 0.000 0.748 465 L CB -1.070 40.968 42.059 -0.036 0.000 0.891 465 L HN 0.369 nan 8.230 nan 0.000 0.431 466 S N -0.674 115.128 115.700 0.171 0.000 2.359 466 S HA -0.235 4.238 4.470 0.004 0.000 0.224 466 S C 2.175 176.751 174.600 -0.041 0.000 1.035 466 S CA 1.522 59.770 58.200 0.080 0.000 1.018 466 S CB -0.272 62.836 63.200 -0.154 0.000 0.876 466 S HN 0.562 nan 8.310 nan 0.000 0.448 467 R N 0.258 120.726 120.500 -0.054 0.000 2.127 467 R HA -0.017 4.326 4.340 0.004 0.000 0.238 467 R C 2.743 179.010 176.300 -0.056 0.000 1.134 467 R CA 1.395 57.461 56.100 -0.057 0.000 0.975 467 R CB -0.280 29.985 30.300 -0.059 0.000 0.865 467 R HN 0.391 nan 8.270 nan 0.000 0.447 468 R N 0.621 121.080 120.500 -0.069 0.000 2.073 468 R HA -0.054 4.289 4.340 0.004 0.000 0.229 468 R C 2.143 178.363 176.300 -0.133 0.000 1.120 468 R CA 1.183 57.194 56.100 -0.148 0.000 0.967 468 R CB -0.104 30.140 30.300 -0.094 0.000 0.862 468 R HN 0.134 nan 8.270 nan 0.000 0.436 469 I N 0.515 121.088 120.570 0.005 0.000 2.133 469 I HA -0.314 3.858 4.170 0.004 0.000 0.238 469 I C 2.442 178.508 176.117 -0.084 0.000 1.074 469 I CA 1.401 62.702 61.300 0.001 0.000 1.342 469 I CB -0.129 37.699 38.000 -0.286 0.000 1.053 469 I HN 0.212 nan 8.210 nan 0.000 0.404 470 M N -0.666 118.837 119.600 -0.161 0.000 2.108 470 M HA -0.327 4.155 4.480 0.004 0.000 0.257 470 M C 2.427 178.753 176.300 0.044 0.000 1.071 470 M CA 2.004 57.230 55.300 -0.123 0.000 1.093 470 M CB -0.940 31.599 32.600 -0.102 0.000 1.345 470 M HN 0.337 nan 8.290 nan 0.000 0.403 471 H N -0.482 118.575 119.070 -0.021 0.000 2.357 471 H HA -0.144 4.415 4.556 0.005 0.000 0.301 471 H C 1.609 177.022 175.328 0.141 0.000 1.082 471 H CA 1.925 57.971 56.048 -0.002 0.000 1.342 471 H CB -0.011 29.684 29.762 -0.112 0.000 1.389 471 H HN 0.282 nan 8.280 nan 0.000 0.511 472 Y N -0.652 119.814 120.300 0.276 0.000 2.114 472 Y HA -0.266 4.286 4.550 0.004 0.000 0.284 472 Y C 2.583 178.688 175.900 0.341 0.000 1.143 472 Y CA 1.447 59.758 58.100 0.351 0.000 1.135 472 Y CB -1.023 37.850 38.460 0.690 0.000 0.980 472 Y HN 0.356 nan 8.280 nan 0.000 0.499 473 W N -0.355 121.043 121.300 0.164 0.000 2.333 473 W HA -0.288 4.374 4.660 0.004 0.000 0.316 473 W C 2.619 179.124 176.519 -0.023 0.000 1.215 473 W CA 1.079 58.447 57.345 0.038 0.000 1.278 473 W CB -0.613 28.795 29.460 -0.086 0.000 1.154 473 W HN 0.099 nan 8.180 nan 0.000 0.486 474 A N 0.433 123.345 122.820 0.154 0.000 1.845 474 A HA -0.216 4.107 4.320 0.004 0.000 0.215 474 A C 1.804 179.345 177.584 -0.072 0.000 1.195 474 A CA 2.710 54.740 52.037 -0.013 0.000 0.616 474 A CB -1.447 17.514 19.000 -0.066 0.000 0.832 474 A HN 0.229 nan 8.150 nan 0.000 0.443 475 T N -0.661 113.783 114.554 -0.182 0.000 2.737 475 T HA -0.190 4.163 4.350 0.004 0.000 0.269 475 T C 1.592 176.239 174.700 -0.089 0.000 1.040 475 T CA 1.767 63.750 62.100 -0.196 0.000 1.142 475 T CB -0.431 68.259 68.868 -0.297 0.000 0.861 475 T HN 0.483 nan 8.240 nan 0.000 0.456 476 F N 2.073 121.933 119.950 -0.150 0.000 2.146 476 F HA 0.079 4.609 4.527 0.005 0.000 0.298 476 F C 2.420 178.147 175.800 -0.121 0.000 1.096 476 F CA 0.904 58.791 58.000 -0.188 0.000 1.275 476 F CB -0.656 38.179 39.000 -0.275 0.000 1.008 476 F HN 0.135 nan 8.300 nan 0.000 0.480 477 A N 0.464 123.188 122.820 -0.161 0.000 1.933 477 A HA -0.198 4.125 4.320 0.004 0.000 0.218 477 A C 2.366 179.822 177.584 -0.214 0.000 1.175 477 A CA 1.752 53.667 52.037 -0.203 0.000 0.628 477 A CB -0.783 18.178 19.000 -0.064 0.000 0.814 477 A HN 0.443 nan 8.150 nan 0.000 0.444 478 K N -0.505 119.796 120.400 -0.165 0.000 2.076 478 K HA -0.103 4.220 4.320 0.004 0.000 0.204 478 K C 1.787 178.301 176.600 -0.144 0.000 1.051 478 K CA 1.948 58.161 56.287 -0.123 0.000 0.949 478 K CB -0.140 32.308 32.500 -0.087 0.000 0.726 478 K HN 0.581 nan 8.250 nan 0.000 0.443 479 T N -4.565 109.876 114.554 -0.188 0.000 2.959 479 T HA 0.231 4.583 4.350 0.004 0.000 0.254 479 T C 1.040 175.609 174.700 -0.219 0.000 1.003 479 T CA 0.663 62.669 62.100 -0.156 0.000 0.950 479 T CB 0.658 69.473 68.868 -0.088 0.000 1.090 479 T HN 0.311 nan 8.240 nan 0.000 0.503 480 G N 1.576 110.098 108.800 -0.463 0.000 2.137 480 G HA2 -0.181 3.782 3.960 0.004 0.000 0.237 480 G HA3 -0.181 3.782 3.960 0.004 0.000 0.237 480 G C -0.237 174.572 174.900 -0.152 0.000 1.002 480 G CA 0.027 44.780 45.100 -0.578 0.000 0.702 480 G HN 0.856 nan 8.290 nan 0.000 0.515 481 N N -0.539 118.074 118.700 -0.145 0.000 2.503 481 N HA 0.407 5.150 4.740 0.004 0.000 0.287 481 N C -2.048 173.332 175.510 -0.218 0.000 1.096 481 N CA -1.405 51.544 53.050 -0.170 0.000 0.936 481 N CB 2.023 40.497 38.487 -0.023 0.000 1.570 481 N HN -0.138 nan 8.380 nan 0.000 0.504 482 P HA -0.040 nan 4.420 nan 0.000 0.219 482 P C -0.383 177.003 177.300 0.143 0.000 1.146 482 P CA 1.001 63.998 63.100 -0.171 0.000 0.808 482 P CB 0.153 31.484 31.700 -0.616 0.000 0.779 483 N N 1.304 120.037 118.700 0.054 0.000 2.497 483 N HA 0.052 4.795 4.740 0.004 0.000 0.271 483 N C 0.004 175.606 175.510 0.153 0.000 1.142 483 N CA 0.114 53.277 53.050 0.189 0.000 0.965 483 N CB 0.514 39.103 38.487 0.171 0.000 1.077 483 N HN 0.298 nan 8.380 nan 0.000 0.462 484 E N 2.077 122.402 120.200 0.209 0.000 2.259 484 E HA 0.240 4.593 4.350 0.004 0.000 0.281 484 E C -2.259 174.434 176.600 0.154 0.000 1.037 484 E CA -1.661 54.855 56.400 0.195 0.000 0.854 484 E CB 0.121 29.980 29.700 0.265 0.000 1.051 484 E HN 0.257 nan 8.360 nan 0.000 0.409 485 P HA -0.122 nan 4.420 nan 0.000 0.264 485 P C -0.366 177.068 177.300 0.223 0.000 1.179 485 P CA 0.535 63.730 63.100 0.158 0.000 0.763 485 P CB 0.247 32.012 31.700 0.109 0.000 0.806 486 H N -1.078 118.025 119.070 0.056 0.000 3.857 486 H HA -0.231 4.328 4.556 0.005 0.000 0.214 486 H C 0.838 176.195 175.328 0.049 0.000 0.983 486 H CA 1.357 57.434 56.048 0.048 0.000 1.216 486 H CB -1.746 28.038 29.762 0.037 0.000 1.161 486 H HN 0.439 nan 8.280 nan 0.000 0.327 487 S N -0.217 115.573 115.700 0.150 0.000 2.537 487 S HA -0.095 4.378 4.470 0.004 0.000 0.280 487 S C 1.427 176.070 174.600 0.071 0.000 1.335 487 S CA 0.771 59.032 58.200 0.101 0.000 1.025 487 S CB 0.685 63.950 63.200 0.108 0.000 0.836 487 S HN 0.438 nan 8.310 nan 0.000 0.523 488 Q N 0.624 120.455 119.800 0.053 0.000 2.281 488 Q HA 0.203 4.546 4.340 0.004 0.000 0.215 488 Q C 0.021 176.048 176.000 0.046 0.000 0.867 488 Q CA 0.210 56.037 55.803 0.040 0.000 0.940 488 Q CB 0.121 28.876 28.738 0.029 0.000 1.111 488 Q HN 0.720 nan 8.270 nan 0.000 0.513 489 E N 1.155 121.390 120.200 0.058 0.000 2.405 489 E HA 0.163 4.515 4.350 0.004 0.000 0.253 489 E C -0.163 176.497 176.600 0.099 0.000 1.257 489 E CA -0.199 56.242 56.400 0.069 0.000 0.960 489 E CB 0.304 30.046 29.700 0.070 0.000 1.077 489 E HN -0.131 nan 8.360 nan 0.000 0.512 490 S N 1.169 116.935 115.700 0.111 0.000 2.549 490 S HA 0.096 4.569 4.470 0.004 0.000 0.283 490 S C -0.012 174.706 174.600 0.197 0.000 1.320 490 S CA -0.533 57.742 58.200 0.126 0.000 1.058 490 S CB 0.188 63.452 63.200 0.106 0.000 0.882 490 S HN 0.202 nan 8.310 nan 0.000 0.498 491 K N 1.852 122.368 120.400 0.194 0.000 2.205 491 K HA 0.111 4.434 4.320 0.004 0.000 0.279 491 K C -0.376 176.431 176.600 0.345 0.000 1.027 491 K CA -0.413 56.032 56.287 0.263 0.000 0.932 491 K CB 0.677 33.300 32.500 0.206 0.000 1.032 491 K HN 0.750 nan 8.250 nan 0.000 0.466 492 W N 7.175 128.586 121.300 0.184 0.000 2.507 492 W HA 0.151 4.814 4.660 0.005 0.000 0.334 492 W C -2.264 174.410 176.519 0.259 0.000 1.165 492 W CA -2.768 54.677 57.345 0.168 0.000 1.460 492 W CB -0.306 29.187 29.460 0.054 0.000 1.404 492 W HN 0.384 nan 8.180 nan 0.000 0.435 493 P HA -0.081 nan 4.420 nan 0.000 0.267 493 P C -0.266 177.285 177.300 0.419 0.000 1.200 493 P CA -0.245 63.099 63.100 0.408 0.000 0.772 493 P CB 1.235 33.087 31.700 0.253 0.000 0.855 494 L N 3.950 125.287 121.223 0.190 0.000 2.456 494 L HA 0.201 4.543 4.340 0.004 0.000 0.272 494 L C -0.071 176.819 176.870 0.033 0.000 1.189 494 L CA -0.276 54.496 54.840 -0.113 0.000 0.846 494 L CB -0.754 41.231 42.059 -0.123 0.000 1.111 494 L HN 0.244 nan 8.230 nan 0.000 0.475 495 F N 4.139 124.024 119.950 -0.109 0.000 2.438 495 F HA 0.471 5.001 4.527 0.004 0.000 0.356 495 F C 0.264 176.052 175.800 -0.020 0.000 1.099 495 F CA -0.230 57.784 58.000 0.023 0.000 1.185 495 F CB 0.566 39.606 39.000 0.067 0.000 1.115 495 F HN 0.657 nan 8.300 nan 0.000 0.526 496 T N 1.315 115.552 114.554 -0.529 0.000 2.932 496 T HA 0.258 4.610 4.350 0.004 0.000 0.289 496 T C 0.894 175.295 174.700 -0.500 0.000 1.039 496 T CA -0.586 61.312 62.100 -0.336 0.000 1.024 496 T CB 1.532 70.276 68.868 -0.206 0.000 1.090 496 T HN 0.529 nan 8.240 nan 0.000 0.496 497 T N 0.494 114.930 114.554 -0.195 0.000 2.833 497 T HA -0.074 4.278 4.350 0.004 0.000 0.269 497 T C 1.737 176.349 174.700 -0.147 0.000 1.054 497 T CA 1.370 63.401 62.100 -0.115 0.000 1.135 497 T CB -0.179 68.656 68.868 -0.055 0.000 0.869 497 T HN 0.699 nan 8.240 nan 0.000 0.466 498 K N 0.400 120.710 120.400 -0.151 0.000 2.067 498 K HA -0.026 4.297 4.320 0.004 0.000 0.203 498 K C 2.158 178.679 176.600 -0.132 0.000 1.048 498 K CA 0.833 57.053 56.287 -0.112 0.000 0.954 498 K CB 0.207 32.658 32.500 -0.082 0.000 0.737 498 K HN 0.106 nan 8.250 nan 0.000 0.444 499 E N 0.773 120.863 120.200 -0.183 0.000 2.122 499 E HA -0.083 4.269 4.350 0.004 0.000 0.190 499 E C -0.062 176.404 176.600 -0.223 0.000 0.977 499 E CA 0.409 56.712 56.400 -0.161 0.000 0.820 499 E CB 0.061 29.683 29.700 -0.130 0.000 0.770 499 E HN 0.307 nan 8.360 nan 0.000 0.462 500 Q N 0.931 120.416 119.800 -0.526 0.000 2.439 500 Q HA -0.207 4.136 4.340 0.004 0.000 0.325 500 Q C -0.693 175.238 176.000 -0.116 0.000 1.372 500 Q CA 0.668 55.992 55.803 -0.799 0.000 0.909 500 Q CB -1.604 26.977 28.738 -0.260 0.000 1.167 500 Q HN 0.150 nan 8.270 nan 0.000 0.418 501 K N 0.718 121.085 120.400 -0.056 0.000 2.098 501 K HA 0.711 5.034 4.320 0.004 0.000 0.261 501 K C -0.091 176.813 176.600 0.507 0.000 0.987 501 K CA -0.314 56.077 56.287 0.174 0.000 0.916 501 K CB 0.727 33.275 32.500 0.080 0.000 1.039 501 K HN 0.242 nan 8.250 nan 0.000 0.455 502 F N -0.385 119.747 119.950 0.304 0.000 2.745 502 F HA 0.656 5.186 4.527 0.005 0.000 0.316 502 F C -1.209 174.685 175.800 0.156 0.000 1.155 502 F CA -1.555 56.634 58.000 0.315 0.000 0.937 502 F CB 0.691 39.877 39.000 0.311 0.000 1.361 502 F HN 0.393 nan 8.300 nan 0.000 0.472 503 I N -1.197 119.457 120.570 0.141 0.000 2.892 503 I HA 0.645 4.818 4.170 0.004 0.000 0.306 503 I C -0.873 175.368 176.117 0.206 0.000 1.078 503 I CA -0.788 60.470 61.300 -0.070 0.000 1.032 503 I CB 1.657 39.404 38.000 -0.421 0.000 1.229 503 I HN 0.478 nan 8.210 nan 0.000 0.435 504 D N 2.471 122.999 120.400 0.214 0.000 2.384 504 D HA 0.522 5.165 4.640 0.004 0.000 0.244 504 D C -0.669 175.701 176.300 0.117 0.000 1.251 504 D CA 0.229 54.406 54.000 0.295 0.000 0.961 504 D CB 1.156 42.111 40.800 0.258 0.000 1.116 504 D HN 0.499 nan 8.370 nan 0.000 0.484 505 L N 2.042 123.312 121.223 0.078 0.000 2.534 505 L HA 0.248 4.591 4.340 0.004 0.000 0.259 505 L C -1.002 175.748 176.870 -0.201 0.000 1.108 505 L CA -0.577 54.267 54.840 0.006 0.000 0.905 505 L CB 0.420 42.568 42.059 0.149 0.000 1.138 505 L HN 0.455 nan 8.230 nan 0.000 0.475 506 N N -1.667 116.943 118.700 -0.151 0.000 3.243 506 N HA 0.236 4.979 4.740 0.004 0.000 0.280 506 N C 0.386 175.787 175.510 -0.181 0.000 1.545 506 N CA -0.368 52.545 53.050 -0.229 0.000 0.854 506 N CB 0.673 39.097 38.487 -0.105 0.000 1.612 506 N HN 0.038 nan 8.380 nan 0.000 0.577 507 T N -3.460 110.960 114.554 -0.224 0.000 3.284 507 T HA 0.163 4.516 4.350 0.004 0.000 0.252 507 T C -0.161 174.512 174.700 -0.045 0.000 1.144 507 T CA 0.350 62.361 62.100 -0.148 0.000 1.021 507 T CB -0.707 68.063 68.868 -0.163 0.000 0.984 507 T HN 0.503 nan 8.240 nan 0.000 0.545 508 E N 1.459 121.648 120.200 -0.017 0.000 2.243 508 E HA 0.438 4.790 4.350 0.004 0.000 0.260 508 E C -2.663 173.947 176.600 0.017 0.000 0.985 508 E CA -2.828 53.579 56.400 0.011 0.000 0.858 508 E CB 0.672 30.390 29.700 0.030 0.000 1.210 508 E HN 0.132 nan 8.360 nan 0.000 0.411 509 P HA -0.076 nan 4.420 nan 0.000 0.266 509 P C -0.470 176.847 177.300 0.029 0.000 1.195 509 P CA 0.332 63.448 63.100 0.026 0.000 0.768 509 P CB 0.363 32.075 31.700 0.020 0.000 0.838 510 M N 3.354 122.978 119.600 0.041 0.000 2.260 510 M HA -0.010 4.473 4.480 0.004 0.000 0.348 510 M C -0.351 175.940 176.300 -0.016 0.000 1.342 510 M CA 1.042 56.361 55.300 0.033 0.000 1.040 510 M CB -0.011 32.633 32.600 0.073 0.000 1.810 510 M HN 0.215 nan 8.290 nan 0.000 0.453 511 K N 4.406 124.770 120.400 -0.059 0.000 2.323 511 K HA 0.487 4.810 4.320 0.004 0.000 0.259 511 K C -1.309 175.069 176.600 -0.369 0.000 0.947 511 K CA -0.776 55.387 56.287 -0.207 0.000 0.819 511 K CB 2.294 34.661 32.500 -0.221 0.000 1.109 511 K HN 0.544 nan 8.250 nan 0.000 0.429 512 V N 4.232 123.914 119.914 -0.388 0.000 2.607 512 V HA 0.226 4.349 4.120 0.004 0.000 0.289 512 V C 0.128 175.806 176.094 -0.694 0.000 1.053 512 V CA -0.240 61.832 62.300 -0.380 0.000 0.996 512 V CB 0.953 32.669 31.823 -0.178 0.000 0.995 512 V HN 0.702 nan 8.190 nan 0.000 0.476 513 H N 2.730 121.461 119.070 -0.566 0.000 2.906 513 H HA 0.643 5.202 4.556 0.004 0.000 0.337 513 H C -0.944 174.051 175.328 -0.555 0.000 1.257 513 H CA -0.734 54.880 56.048 -0.723 0.000 1.192 513 H CB 2.310 31.264 29.762 -1.346 0.000 1.912 513 H HN 0.602 nan 8.280 nan 0.000 0.573 514 Q N 0.037 119.797 119.800 -0.067 0.000 2.544 514 Q HA 0.374 4.717 4.340 0.004 0.000 0.291 514 Q C -0.645 175.568 176.000 0.357 0.000 1.068 514 Q CA -1.060 54.836 55.803 0.154 0.000 0.785 514 Q CB 2.710 31.486 28.738 0.064 0.000 1.481 514 Q HN 0.431 nan 8.270 nan 0.000 0.430 515 R N 1.032 121.726 120.500 0.325 0.000 2.800 515 R HA -0.217 4.125 4.340 0.004 0.000 0.246 515 R C -0.500 175.971 176.300 0.286 0.000 0.855 515 R CA -0.112 56.154 56.100 0.278 0.000 0.631 515 R CB -1.411 28.989 30.300 0.166 0.000 1.386 515 R HN 0.366 nan 8.270 nan 0.000 0.519 516 L N 2.956 124.341 121.223 0.269 0.000 2.698 516 L HA -0.035 4.308 4.340 0.004 0.000 0.272 516 L C 0.700 177.555 176.870 -0.026 0.000 1.154 516 L CA 0.662 55.458 54.840 -0.073 0.000 0.964 516 L CB -0.302 41.416 42.059 -0.569 0.000 1.272 516 L HN 0.493 nan 8.230 nan 0.000 0.483 517 R N 2.254 122.746 120.500 -0.013 0.000 3.387 517 R HA -0.216 4.127 4.340 0.004 0.000 0.254 517 R C 1.267 177.629 176.300 0.103 0.000 1.006 517 R CA 0.661 56.785 56.100 0.040 0.000 0.677 517 R CB -1.947 28.378 30.300 0.041 0.000 1.063 517 R HN 0.670 nan 8.270 nan 0.000 0.453 518 V N 0.339 120.318 119.914 0.109 0.000 2.392 518 V HA -0.343 3.780 4.120 0.004 0.000 0.249 518 V C 2.293 178.464 176.094 0.129 0.000 1.059 518 V CA 2.592 64.970 62.300 0.129 0.000 1.051 518 V CB -0.055 31.841 31.823 0.121 0.000 0.658 518 V HN 0.511 nan 8.190 nan 0.000 0.455 519 Q N -0.501 119.358 119.800 0.098 0.000 2.002 519 Q HA -0.192 4.151 4.340 0.004 0.000 0.204 519 Q C 2.128 178.199 176.000 0.118 0.000 0.988 519 Q CA 2.585 58.433 55.803 0.075 0.000 0.843 519 Q CB -0.400 28.351 28.738 0.021 0.000 0.908 519 Q HN 0.545 nan 8.270 nan 0.000 0.420 520 M N -0.944 118.749 119.600 0.156 0.000 2.229 520 M HA -0.118 4.365 4.480 0.004 0.000 0.264 520 M C 2.317 178.921 176.300 0.507 0.000 1.063 520 M CA 0.851 56.327 55.300 0.293 0.000 1.114 520 M CB -1.174 31.663 32.600 0.395 0.000 1.387 520 M HN 0.332 nan 8.290 nan 0.000 0.420 521 c N -0.399 118.439 118.600 0.397 0.000 2.448 521 c HA -0.003 4.569 4.570 0.004 0.000 0.280 521 c C 2.897 177.175 174.090 0.313 0.000 1.398 521 c CA 0.181 56.748 56.329 0.398 0.000 1.774 521 c CB -0.831 41.840 42.510 0.268 0.000 1.888 521 c HN 0.313 nan 8.230 nan 0.000 0.519 522 V N 0.375 120.440 119.914 0.251 0.000 2.548 522 V HA -0.168 3.955 4.120 0.004 0.000 0.249 522 V C 2.003 178.226 176.094 0.216 0.000 1.055 522 V CA 1.859 64.278 62.300 0.199 0.000 1.065 522 V CB -0.737 31.178 31.823 0.153 0.000 0.681 522 V HN 0.553 nan 8.190 nan 0.000 0.462 523 F N 0.224 120.220 119.950 0.078 0.000 2.060 523 F HA -0.163 4.367 4.527 0.005 0.000 0.295 523 F C 1.991 177.790 175.800 -0.001 0.000 1.120 523 F CA 1.640 59.637 58.000 -0.004 0.000 1.205 523 F CB -0.486 38.379 39.000 -0.225 0.000 0.986 523 F HN 0.167 nan 8.300 nan 0.000 0.470 524 W N 0.711 122.050 121.300 0.065 0.000 2.388 524 W HA -0.118 4.544 4.660 0.004 0.000 0.294 524 W C 2.204 178.670 176.519 -0.090 0.000 1.212 524 W CA 0.926 58.229 57.345 -0.071 0.000 1.271 524 W CB -0.618 28.940 29.460 0.164 0.000 1.126 524 W HN -0.013 nan 8.180 nan 0.000 0.535 525 N N -0.388 118.429 118.700 0.195 0.000 2.376 525 N HA -0.045 4.698 4.740 0.004 0.000 0.177 525 N C 1.353 176.853 175.510 -0.017 0.000 1.024 525 N CA 1.135 54.214 53.050 0.048 0.000 0.893 525 N CB -0.124 38.427 38.487 0.107 0.000 0.980 525 N HN 0.342 nan 8.380 nan 0.000 0.439 526 Q N -1.209 118.603 119.800 0.019 0.000 2.644 526 Q HA 0.233 4.575 4.340 0.004 0.000 0.220 526 Q C 1.355 177.328 176.000 -0.045 0.000 0.866 526 Q CA -0.243 55.564 55.803 0.007 0.000 0.915 526 Q CB -0.090 28.694 28.738 0.076 0.000 1.191 526 Q HN 0.099 nan 8.270 nan 0.000 0.641 527 F N 1.624 121.490 119.950 -0.140 0.000 2.026 527 F HA -0.239 4.291 4.527 0.005 0.000 0.296 527 F C 1.894 177.519 175.800 -0.292 0.000 1.133 527 F CA 1.345 59.241 58.000 -0.173 0.000 1.188 527 F CB -0.471 38.470 39.000 -0.099 0.000 0.968 527 F HN 0.113 nan 8.300 nan 0.000 0.476 528 L N 1.045 121.808 121.223 -0.768 0.000 2.013 528 L HA -0.136 4.207 4.340 0.004 0.000 0.212 528 L C -0.823 175.750 176.870 -0.495 0.000 1.073 528 L CA 2.258 56.613 54.840 -0.807 0.000 0.753 528 L CB -1.948 39.515 42.059 -0.994 0.000 0.890 528 L HN 0.042 nan 8.230 nan 0.000 0.432 529 P HA -0.225 nan 4.420 nan 0.000 0.215 529 P C 1.493 178.659 177.300 -0.223 0.000 1.153 529 P CA 1.721 64.703 63.100 -0.197 0.000 0.853 529 P CB -0.069 31.547 31.700 -0.141 0.000 0.788 530 K N -0.271 119.959 120.400 -0.284 0.000 2.097 530 K HA -0.121 4.202 4.320 0.004 0.000 0.205 530 K C 2.041 178.451 176.600 -0.316 0.000 1.050 530 K CA 0.930 57.062 56.287 -0.258 0.000 0.938 530 K CB -0.713 31.646 32.500 -0.235 0.000 0.718 530 K HN 0.048 nan 8.250 nan 0.000 0.442 531 L N 0.951 121.866 121.223 -0.514 0.000 2.027 531 L HA -0.133 4.209 4.340 0.004 0.000 0.206 531 L C 2.015 178.735 176.870 -0.249 0.000 1.074 531 L CA 1.199 55.776 54.840 -0.439 0.000 0.745 531 L CB -0.127 41.561 42.059 -0.619 0.000 0.898 531 L HN 0.228 nan 8.230 nan 0.000 0.433 532 L N -0.107 120.976 121.223 -0.233 0.000 2.201 532 L HA -0.193 4.150 4.340 0.004 0.000 0.212 532 L C 2.334 179.143 176.870 -0.101 0.000 1.105 532 L CA 1.238 55.991 54.840 -0.144 0.000 0.775 532 L CB -0.703 41.285 42.059 -0.119 0.000 0.913 532 L HN 0.488 nan 8.230 nan 0.000 0.440 533 N N 0.176 118.809 118.700 -0.111 0.000 2.333 533 N HA -0.079 4.664 4.740 0.004 0.000 0.178 533 N C 1.849 177.317 175.510 -0.070 0.000 1.018 533 N CA 0.953 53.957 53.050 -0.077 0.000 0.882 533 N CB 0.343 38.785 38.487 -0.075 0.000 0.984 533 N HN 0.267 nan 8.380 nan 0.000 0.434 534 A N 0.489 123.255 122.820 -0.090 0.000 1.897 534 A HA -0.009 4.314 4.320 0.004 0.000 0.215 534 A C 1.507 179.057 177.584 -0.057 0.000 1.181 534 A CA 1.539 53.534 52.037 -0.070 0.000 0.620 534 A CB -0.807 18.144 19.000 -0.081 0.000 0.821 534 A HN 0.530 nan 8.150 nan 0.000 0.443 535 T N -4.052 110.462 114.554 -0.067 0.000 2.880 535 T HA 0.754 5.107 4.350 0.004 0.000 0.279 535 T C -0.173 174.500 174.700 -0.045 0.000 0.990 535 T CA -0.055 62.015 62.100 -0.050 0.000 0.938 535 T CB 1.506 70.342 68.868 -0.052 0.000 1.206 535 T HN 1.584 nan 8.240 nan 0.000 0.573 536 A N 0.000 122.798 122.820 -0.036 0.000 2.254 536 A HA 0.000 4.323 4.320 0.004 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.003 19.000 0.004 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486