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 2oov_1_F DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD CKGVIHYLDA HFSDRAGDPI TVKNAVCIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.301 177.300 0.002 0.000 1.155 18 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 18 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 19 A N 1.310 124.132 122.820 0.002 0.000 2.445 19 A HA 0.450 4.780 4.320 0.015 0.000 0.242 19 A C 0.532 178.123 177.584 0.010 0.000 1.075 19 A CA -0.186 51.856 52.037 0.007 0.000 0.777 19 A CB 0.013 19.017 19.000 0.008 0.000 1.013 19 A HN 0.480 nan 8.150 nan 0.000 0.493 20 R N 1.600 122.108 120.500 0.012 0.000 2.694 20 R HA 0.308 4.657 4.340 0.015 0.000 0.268 20 R C -1.950 174.365 176.300 0.024 0.000 1.061 20 R CA -0.944 55.163 56.100 0.011 0.000 1.133 20 R CB -0.050 30.252 30.300 0.004 0.000 1.020 20 R HN 0.642 nan 8.270 nan 0.000 0.475 21 P HA 0.069 nan 4.420 nan 0.000 0.276 21 P C -0.257 177.089 177.300 0.076 0.000 1.261 21 P CA -0.257 62.878 63.100 0.059 0.000 0.800 21 P CB 0.756 32.501 31.700 0.075 0.000 1.066 22 A N 0.011 122.901 122.820 0.116 0.000 1.972 22 A HA -0.127 4.203 4.320 0.015 0.000 0.219 22 A C 0.973 178.684 177.584 0.211 0.000 1.169 22 A CA 1.523 53.650 52.037 0.150 0.000 0.635 22 A CB -1.094 18.002 19.000 0.159 0.000 0.810 22 A HN 0.808 nan 8.150 nan 0.000 0.446 23 H N -2.948 116.177 119.070 0.091 0.000 2.954 23 H HA 0.409 4.974 4.556 0.015 0.000 0.361 23 H C -2.554 172.742 175.328 -0.054 0.000 1.122 23 H CA -1.590 54.507 56.048 0.081 0.000 1.217 23 H CB 1.956 31.841 29.762 0.205 0.000 1.776 23 H HN -0.124 nan 8.280 nan 0.000 0.533 24 P HA -0.095 nan 4.420 nan 0.000 0.222 24 P C 0.696 177.987 177.300 -0.015 0.000 1.147 24 P CA 1.095 64.065 63.100 -0.215 0.000 0.790 24 P CB 0.311 31.710 31.700 -0.501 0.000 0.780 25 L N -1.874 119.427 121.223 0.129 0.000 2.607 25 L HA 0.147 4.496 4.340 0.015 0.000 0.228 25 L C 0.248 177.066 176.870 -0.086 0.000 1.123 25 L CA -0.185 54.545 54.840 -0.183 0.000 0.890 25 L CB -0.468 41.218 42.059 -0.622 0.000 1.103 25 L HN -0.131 nan 8.230 nan 0.000 0.468 26 D N 1.848 122.334 120.400 0.143 0.000 2.455 26 D HA 0.116 4.765 4.640 0.015 0.000 0.241 26 D C -2.039 174.370 176.300 0.180 0.000 1.138 26 D CA -1.013 53.145 54.000 0.265 0.000 0.877 26 D CB 0.609 41.545 40.800 0.227 0.000 1.187 26 D HN -0.066 nan 8.370 nan 0.000 0.451 27 P HA 0.027 nan 4.420 nan 0.000 0.269 27 P C 0.052 177.445 177.300 0.155 0.000 1.217 27 P CA -0.271 62.941 63.100 0.188 0.000 0.783 27 P CB 0.514 32.347 31.700 0.221 0.000 0.898 28 L N 0.778 122.092 121.223 0.150 0.000 2.525 28 L HA 0.026 4.375 4.340 0.015 0.000 0.278 28 L C 1.287 178.210 176.870 0.089 0.000 1.218 28 L CA 0.121 55.027 54.840 0.111 0.000 0.878 28 L CB -0.272 41.854 42.059 0.112 0.000 1.127 28 L HN 0.507 nan 8.230 nan 0.000 0.492 29 S N 0.251 115.970 115.700 0.031 0.000 2.608 29 S HA 0.089 4.568 4.470 0.015 0.000 0.261 29 S C 1.348 175.880 174.600 -0.113 0.000 1.314 29 S CA -0.193 57.973 58.200 -0.056 0.000 0.992 29 S CB 1.209 64.379 63.200 -0.052 0.000 0.935 29 S HN 0.782 nan 8.310 nan 0.000 0.564 30 T N -1.305 113.090 114.554 -0.265 0.000 2.759 30 T HA -0.126 4.233 4.350 0.015 0.000 0.269 30 T C 1.944 176.580 174.700 -0.106 0.000 1.042 30 T CA 1.209 63.186 62.100 -0.206 0.000 1.140 30 T CB -1.111 67.595 68.868 -0.269 0.000 0.864 30 T HN 0.894 nan 8.240 nan 0.000 0.455 31 A N 1.756 124.521 122.820 -0.092 0.000 1.930 31 A HA -0.050 4.279 4.320 0.015 0.000 0.217 31 A C 2.324 179.885 177.584 -0.039 0.000 1.175 31 A CA 1.533 53.536 52.037 -0.057 0.000 0.627 31 A CB -0.634 18.340 19.000 -0.044 0.000 0.815 31 A HN 0.658 nan 8.150 nan 0.000 0.443 32 E N -0.401 119.782 120.200 -0.028 0.000 2.106 32 E HA -0.098 4.261 4.350 0.015 0.000 0.192 32 E C 1.850 178.445 176.600 -0.009 0.000 0.984 32 E CA 0.964 57.360 56.400 -0.006 0.000 0.806 32 E CB -0.231 29.478 29.700 0.015 0.000 0.750 32 E HN 0.691 nan 8.360 nan 0.000 0.458 33 I N 1.059 121.620 120.570 -0.015 0.000 2.179 33 I HA -0.280 3.899 4.170 0.015 0.000 0.242 33 I C 2.458 178.525 176.117 -0.084 0.000 1.088 33 I CA 1.045 62.330 61.300 -0.025 0.000 1.357 33 I CB -0.115 37.884 38.000 -0.002 0.000 1.051 33 I HN -0.023 nan 8.210 nan 0.000 0.409 34 K N 1.474 121.826 120.400 -0.081 0.000 2.097 34 K HA -0.106 4.223 4.320 0.015 0.000 0.206 34 K C 2.021 178.569 176.600 -0.086 0.000 1.049 34 K CA 1.654 57.881 56.287 -0.099 0.000 0.933 34 K CB -0.386 32.071 32.500 -0.073 0.000 0.717 34 K HN 0.285 nan 8.250 nan 0.000 0.442 35 A N 0.451 123.238 122.820 -0.054 0.000 1.902 35 A HA -0.054 4.275 4.320 0.015 0.000 0.217 35 A C 2.363 179.927 177.584 -0.034 0.000 1.181 35 A CA 2.008 54.025 52.037 -0.033 0.000 0.623 35 A CB -1.036 17.954 19.000 -0.016 0.000 0.818 35 A HN 0.414 nan 8.150 nan 0.000 0.443 36 A N -0.270 122.528 122.820 -0.038 0.000 1.898 36 A HA -0.097 4.232 4.320 0.015 0.000 0.216 36 A C 2.469 180.006 177.584 -0.077 0.000 1.181 36 A CA 2.566 54.588 52.037 -0.026 0.000 0.620 36 A CB -1.373 17.634 19.000 0.012 0.000 0.819 36 A HN 0.766 nan 8.150 nan 0.000 0.442 37 T N -2.073 112.360 114.554 -0.200 0.000 2.857 37 T HA -0.129 4.231 4.350 0.015 0.000 0.266 37 T C 1.673 176.311 174.700 -0.104 0.000 1.048 37 T CA 1.335 63.200 62.100 -0.391 0.000 1.139 37 T CB -0.562 67.709 68.868 -0.995 0.000 0.874 37 T HN 0.349 nan 8.240 nan 0.000 0.455 38 N N 1.511 120.164 118.700 -0.079 0.000 2.069 38 N HA -0.081 4.668 4.740 0.015 0.000 0.191 38 N C 2.070 177.602 175.510 0.036 0.000 1.031 38 N CA 1.924 54.971 53.050 -0.006 0.000 0.852 38 N CB -1.078 37.400 38.487 -0.015 0.000 1.018 38 N HN 0.509 nan 8.380 nan 0.000 0.423 39 T N 0.809 115.375 114.554 0.020 0.000 2.708 39 T HA -0.045 4.314 4.350 0.015 0.000 0.266 39 T C 2.152 176.887 174.700 0.060 0.000 1.037 39 T CA 0.935 63.054 62.100 0.032 0.000 1.146 39 T CB -0.327 68.547 68.868 0.011 0.000 0.865 39 T HN -0.020 nan 8.240 nan 0.000 0.435 40 V N 1.541 121.485 119.914 0.050 0.000 2.307 40 V HA -0.164 3.965 4.120 0.015 0.000 0.245 40 V C 2.499 178.768 176.094 0.291 0.000 1.045 40 V CA 1.519 63.870 62.300 0.085 0.000 1.024 40 V CB -0.488 31.308 31.823 -0.045 0.000 0.651 40 V HN 0.455 nan 8.190 nan 0.000 0.449 41 K N 0.161 120.738 120.400 0.295 0.000 2.074 41 K HA -0.183 4.146 4.320 0.015 0.000 0.209 41 K C 2.408 179.119 176.600 0.186 0.000 1.048 41 K CA 1.890 58.329 56.287 0.254 0.000 0.926 41 K CB -0.363 32.267 32.500 0.216 0.000 0.713 41 K HN 0.413 nan 8.250 nan 0.000 0.444 42 S N 0.433 116.214 115.700 0.136 0.000 2.368 42 S HA -0.165 4.314 4.470 0.015 0.000 0.224 42 S C 1.749 176.385 174.600 0.060 0.000 1.029 42 S CA 1.014 59.264 58.200 0.083 0.000 0.988 42 S CB -0.401 62.836 63.200 0.062 0.000 0.838 42 S HN 0.337 nan 8.310 nan 0.000 0.462 43 Y N 1.196 121.451 120.300 -0.075 0.000 2.207 43 Y HA -0.077 4.482 4.550 0.015 0.000 0.287 43 Y C 0.604 176.288 175.900 -0.360 0.000 1.156 43 Y CA 1.244 59.199 58.100 -0.242 0.000 1.182 43 Y CB -0.168 38.077 38.460 -0.358 0.000 0.979 43 Y HN 0.174 nan 8.280 nan 0.000 0.521 44 F N 1.105 121.116 119.950 0.102 0.000 2.980 44 F HA 0.421 4.957 4.527 0.015 0.000 0.299 44 F C 0.782 176.570 175.800 -0.019 0.000 1.211 44 F CA -0.444 57.566 58.000 0.017 0.000 1.328 44 F CB -0.798 38.230 39.000 0.046 0.000 1.154 44 F HN 0.006 nan 8.300 nan 0.000 0.528 45 A N 0.271 123.116 122.820 0.042 0.000 2.546 45 A HA 0.404 4.733 4.320 0.015 0.000 0.243 45 A C 1.527 179.133 177.584 0.037 0.000 1.063 45 A CA 0.773 52.829 52.037 0.032 0.000 0.757 45 A CB -0.516 18.472 19.000 -0.019 0.000 0.991 45 A HN 1.157 nan 8.150 nan 0.000 0.503 46 G N 1.707 110.533 108.800 0.042 0.000 2.179 46 G HA2 -0.204 3.765 3.960 0.015 0.000 0.260 46 G HA3 -0.204 3.765 3.960 0.015 0.000 0.260 46 G C 0.191 175.113 174.900 0.036 0.000 0.977 46 G CA 0.612 45.731 45.100 0.031 0.000 0.641 46 G HN 0.769 nan 8.290 nan 0.000 0.533 47 K N 0.286 120.722 120.400 0.059 0.000 2.123 47 K HA 0.449 4.778 4.320 0.015 0.000 0.259 47 K C -0.031 176.573 176.600 0.007 0.000 0.960 47 K CA -0.842 55.468 56.287 0.039 0.000 0.872 47 K CB 1.876 34.417 32.500 0.069 0.000 1.079 47 K HN 0.225 nan 8.250 nan 0.000 0.440 48 K N 4.097 124.484 120.400 -0.022 0.000 2.273 48 K HA 0.236 4.565 4.320 0.015 0.000 0.287 48 K C -0.167 176.378 176.600 -0.092 0.000 1.089 48 K CA -0.263 56.002 56.287 -0.037 0.000 0.909 48 K CB -0.028 32.456 32.500 -0.028 0.000 1.123 48 K HN 0.639 nan 8.250 nan 0.000 0.473 49 I N 0.336 120.832 120.570 -0.124 0.000 2.892 49 I HA 0.570 4.750 4.170 0.015 0.000 0.306 49 I C -0.776 175.201 176.117 -0.234 0.000 1.078 49 I CA -0.796 60.354 61.300 -0.250 0.000 1.032 49 I CB 2.330 40.076 38.000 -0.424 0.000 1.229 49 I HN 0.484 nan 8.210 nan 0.000 0.435 50 S N 2.726 118.244 115.700 -0.302 0.000 2.570 50 S HA 0.691 5.170 4.470 0.015 0.000 0.286 50 S C -1.098 173.301 174.600 -0.335 0.000 1.099 50 S CA -0.650 57.435 58.200 -0.191 0.000 0.913 50 S CB 1.434 64.591 63.200 -0.072 0.000 1.085 50 S HN 0.507 nan 8.310 nan 0.000 0.480 51 F N 2.674 122.603 119.950 -0.036 0.000 2.410 51 F HA 0.477 5.013 4.527 0.015 0.000 0.349 51 F C 1.726 177.516 175.800 -0.018 0.000 1.117 51 F CA -0.662 57.324 58.000 -0.024 0.000 1.104 51 F CB 1.321 40.315 39.000 -0.009 0.000 1.122 51 F HN 0.833 nan 8.300 nan 0.000 0.483 52 N N 1.085 119.849 118.700 0.106 0.000 2.436 52 N HA 0.018 4.767 4.740 0.015 0.000 0.178 52 N C -0.346 175.228 175.510 0.107 0.000 1.026 52 N CA 0.740 53.834 53.050 0.072 0.000 0.880 52 N CB 0.606 39.109 38.487 0.026 0.000 1.061 52 N HN 0.551 nan 8.380 nan 0.000 0.434 53 T N 0.709 115.303 114.554 0.065 0.000 3.032 53 T HA 0.474 4.834 4.350 0.015 0.000 0.312 53 T C -1.302 173.397 174.700 -0.003 0.000 1.078 53 T CA -0.494 61.557 62.100 -0.082 0.000 1.028 53 T CB 2.662 71.332 68.868 -0.331 0.000 1.091 53 T HN -0.139 nan 8.240 nan 0.000 0.457 54 V N 2.629 122.555 119.914 0.021 0.000 2.488 54 V HA 0.789 4.919 4.120 0.015 0.000 0.293 54 V C -0.175 175.979 176.094 0.100 0.000 1.027 54 V CA -0.476 61.876 62.300 0.088 0.000 0.862 54 V CB 1.680 33.558 31.823 0.091 0.000 1.008 54 V HN 0.997 nan 8.190 nan 0.000 0.428 55 T N 4.023 118.663 114.554 0.143 0.000 2.868 55 T HA 0.568 4.927 4.350 0.015 0.000 0.306 55 T C -1.254 173.584 174.700 0.230 0.000 1.224 55 T CA -0.531 61.691 62.100 0.204 0.000 1.012 55 T CB 1.584 70.584 68.868 0.220 0.000 1.221 55 T HN 0.569 nan 8.240 nan 0.000 0.499 56 L N 3.259 124.606 121.223 0.207 0.000 2.540 56 L HA 0.474 4.823 4.340 0.015 0.000 0.276 56 L C 0.314 177.277 176.870 0.155 0.000 1.212 56 L CA 0.259 55.195 54.840 0.160 0.000 0.893 56 L CB 0.269 42.407 42.059 0.131 0.000 1.138 56 L HN 0.618 nan 8.230 nan 0.000 0.491 57 R N 4.596 125.174 120.500 0.131 0.000 2.205 57 R HA 0.279 4.629 4.340 0.015 0.000 0.342 57 R C -0.444 175.880 176.300 0.040 0.000 1.058 57 R CA -0.081 56.068 56.100 0.080 0.000 0.904 57 R CB -0.030 30.327 30.300 0.095 0.000 1.089 57 R HN 0.740 nan 8.270 nan 0.000 0.471 58 E N 5.577 125.785 120.200 0.012 0.000 2.415 58 E HA 0.084 4.443 4.350 0.015 0.000 0.262 58 E C -1.869 174.736 176.600 0.009 0.000 1.038 58 E CA -1.436 54.960 56.400 -0.005 0.000 0.921 58 E CB 0.294 29.971 29.700 -0.038 0.000 0.950 58 E HN 0.550 nan 8.360 nan 0.000 0.438 59 P HA -0.020 nan 4.420 nan 0.000 0.269 59 P C -0.860 176.488 177.300 0.080 0.000 1.215 59 P CA -0.147 62.982 63.100 0.048 0.000 0.780 59 P CB 0.456 32.203 31.700 0.077 0.000 0.898 60 A N 2.536 125.403 122.820 0.077 0.000 2.561 60 A HA -0.064 4.265 4.320 0.015 0.000 0.234 60 A C 1.836 179.485 177.584 0.109 0.000 1.055 60 A CA 0.084 52.176 52.037 0.093 0.000 0.756 60 A CB -0.381 18.661 19.000 0.070 0.000 0.986 60 A HN 0.671 nan 8.150 nan 0.000 0.505 61 R N 1.336 121.878 120.500 0.069 0.000 2.080 61 R HA -0.177 4.172 4.340 0.015 0.000 0.236 61 R C 2.112 178.355 176.300 -0.096 0.000 1.137 61 R CA 2.140 58.164 56.100 -0.127 0.000 0.943 61 R CB -0.224 29.774 30.300 -0.502 0.000 0.846 61 R HN 0.870 nan 8.270 nan 0.000 0.431 62 K N -0.200 120.160 120.400 -0.066 0.000 2.032 62 K HA -0.157 4.172 4.320 0.015 0.000 0.209 62 K C 1.956 178.574 176.600 0.031 0.000 1.048 62 K CA 1.589 57.857 56.287 -0.032 0.000 0.927 62 K CB -0.216 32.274 32.500 -0.017 0.000 0.712 62 K HN 0.266 nan 8.250 nan 0.000 0.441 63 A N 0.409 123.266 122.820 0.061 0.000 1.908 63 A HA -0.224 4.106 4.320 0.015 0.000 0.218 63 A C 2.090 179.755 177.584 0.135 0.000 1.181 63 A CA 1.650 53.737 52.037 0.083 0.000 0.627 63 A CB -0.987 18.055 19.000 0.070 0.000 0.818 63 A HN 0.615 nan 8.150 nan 0.000 0.445 64 Y N 0.306 120.651 120.300 0.075 0.000 2.145 64 Y HA -0.194 4.365 4.550 0.015 0.000 0.286 64 Y C 2.048 178.091 175.900 0.239 0.000 1.145 64 Y CA 2.026 60.224 58.100 0.164 0.000 1.148 64 Y CB -0.230 38.335 38.460 0.174 0.000 0.981 64 Y HN 0.264 nan 8.280 nan 0.000 0.507 65 I N 0.082 120.756 120.570 0.173 0.000 2.315 65 I HA -0.325 3.854 4.170 0.015 0.000 0.248 65 I C 2.348 178.450 176.117 -0.025 0.000 1.117 65 I CA 1.456 62.795 61.300 0.066 0.000 1.404 65 I CB -0.449 37.572 38.000 0.036 0.000 1.071 65 I HN 0.358 nan 8.210 nan 0.000 0.419 66 Q N -0.423 119.381 119.800 0.007 0.000 2.084 66 Q HA -0.270 4.079 4.340 0.015 0.000 0.202 66 Q C 2.008 177.998 176.000 -0.016 0.000 0.978 66 Q CA 2.130 57.929 55.803 -0.005 0.000 0.844 66 Q CB -0.318 28.432 28.738 0.021 0.000 0.898 66 Q HN 0.633 nan 8.270 nan 0.000 0.426 67 W N 1.762 122.956 121.300 -0.177 0.000 2.355 67 W HA -0.168 4.501 4.660 0.015 0.000 0.309 67 W C 2.016 178.381 176.519 -0.256 0.000 1.206 67 W CA 1.339 58.558 57.345 -0.210 0.000 1.284 67 W CB -0.028 29.281 29.460 -0.252 0.000 1.145 67 W HN -0.134 nan 8.180 nan 0.000 0.502 68 K N -0.036 120.056 120.400 -0.514 0.000 2.155 68 K HA -0.131 4.198 4.320 0.015 0.000 0.203 68 K C 1.260 177.565 176.600 -0.492 0.000 1.052 68 K CA 1.763 57.566 56.287 -0.807 0.000 0.948 68 K CB -0.038 32.157 32.500 -0.507 0.000 0.728 68 K HN 0.312 nan 8.250 nan 0.000 0.448 69 E N -1.369 118.656 120.200 -0.291 0.000 2.571 69 E HA 0.040 4.399 4.350 0.015 0.000 0.222 69 E C 0.373 176.886 176.600 -0.145 0.000 0.904 69 E CA 0.009 56.299 56.400 -0.182 0.000 1.157 69 E CB 0.985 30.625 29.700 -0.100 0.000 1.158 69 E HN 0.171 nan 8.360 nan 0.000 0.540 70 Q N -0.269 119.445 119.800 -0.143 0.000 2.112 70 Q HA 0.218 4.567 4.340 0.015 0.000 0.222 70 Q C 0.355 176.298 176.000 -0.095 0.000 0.798 70 Q CA 0.180 55.926 55.803 -0.095 0.000 1.060 70 Q CB 1.774 30.477 28.738 -0.060 0.000 1.184 70 Q HN 0.283 nan 8.270 nan 0.000 0.475 71 G N 0.797 109.509 108.800 -0.145 0.000 2.225 71 G HA2 -0.282 3.687 3.960 0.015 0.000 0.267 71 G HA3 -0.282 3.687 3.960 0.015 0.000 0.267 71 G C 0.425 175.289 174.900 -0.060 0.000 1.024 71 G CA 0.004 45.029 45.100 -0.124 0.000 0.784 71 G HN 0.488 nan 8.290 nan 0.000 0.507 72 G N -0.084 108.694 108.800 -0.037 0.000 2.634 72 G HA2 0.617 4.586 3.960 0.015 0.000 0.255 72 G HA3 0.617 4.586 3.960 0.015 0.000 0.255 72 G C -1.314 173.665 174.900 0.131 0.000 1.205 72 G CA -0.347 44.780 45.100 0.045 0.000 0.884 72 G HN 0.331 nan 8.290 nan 0.000 0.549 73 P HA 0.172 nan 4.420 nan 0.000 0.274 73 P C -0.263 177.137 177.300 0.167 0.000 1.237 73 P CA -0.796 62.383 63.100 0.132 0.000 0.793 73 P CB 0.980 32.718 31.700 0.064 0.000 0.977 74 L N 4.328 125.618 121.223 0.111 0.000 2.584 74 L HA 0.163 4.512 4.340 0.015 0.000 0.272 74 L C -2.051 174.725 176.870 -0.156 0.000 1.195 74 L CA -1.179 53.570 54.840 -0.151 0.000 0.920 74 L CB -1.158 40.836 42.059 -0.108 0.000 1.173 74 L HN 0.293 nan 8.230 nan 0.000 0.489 75 P HA 0.148 nan 4.420 nan 0.000 0.267 75 P C -2.487 174.753 177.300 -0.100 0.000 1.200 75 P CA -0.783 62.244 63.100 -0.122 0.000 0.772 75 P CB -0.279 31.352 31.700 -0.116 0.000 0.855 76 P HA 0.112 nan 4.420 nan 0.000 0.265 76 P C -0.280 177.004 177.300 -0.026 0.000 1.193 76 P CA 0.017 63.101 63.100 -0.026 0.000 0.765 76 P CB 0.357 32.055 31.700 -0.003 0.000 0.823 77 R N 3.618 124.106 120.500 -0.020 0.000 2.242 77 R HA 0.351 4.701 4.340 0.015 0.000 0.334 77 R C -0.888 175.426 176.300 0.023 0.000 1.071 77 R CA 0.176 56.273 56.100 -0.006 0.000 0.922 77 R CB -0.851 29.444 30.300 -0.008 0.000 1.023 77 R HN 0.443 nan 8.270 nan 0.000 0.458 78 L N 3.022 124.269 121.223 0.040 0.000 2.362 78 L HA 0.754 5.103 4.340 0.015 0.000 0.271 78 L C -0.353 176.579 176.870 0.103 0.000 1.002 78 L CA -1.317 53.564 54.840 0.069 0.000 0.818 78 L CB 2.195 44.294 42.059 0.067 0.000 1.298 78 L HN 0.673 nan 8.230 nan 0.000 0.420 79 A N 2.049 124.950 122.820 0.134 0.000 2.318 79 A HA 0.559 4.888 4.320 0.015 0.000 0.324 79 A C -1.501 176.235 177.584 0.253 0.000 1.170 79 A CA -0.375 51.769 52.037 0.179 0.000 0.810 79 A CB 0.917 20.008 19.000 0.153 0.000 1.198 79 A HN 0.599 nan 8.150 nan 0.000 0.484 80 Y N 3.294 123.665 120.300 0.118 0.000 2.323 80 Y HA 0.574 5.134 4.550 0.016 0.000 0.331 80 Y C -0.771 175.216 175.900 0.145 0.000 1.092 80 Y CA -0.832 57.313 58.100 0.075 0.000 1.150 80 Y CB 0.754 39.240 38.460 0.042 0.000 1.200 80 Y HN 0.701 nan 8.280 nan 0.000 0.472 81 Y N 3.242 123.239 120.300 -0.505 0.000 2.536 81 Y HA 0.813 5.372 4.550 0.016 0.000 0.347 81 Y C -1.967 173.561 175.900 -0.619 0.000 1.000 81 Y CA -1.767 56.092 58.100 -0.402 0.000 1.051 81 Y CB 1.099 39.538 38.460 -0.036 0.000 1.259 81 Y HN 0.344 nan 8.280 nan 0.000 0.468 82 V N 4.949 124.736 119.914 -0.212 0.000 2.531 82 V HA 0.562 4.691 4.120 0.015 0.000 0.301 82 V C -0.215 175.860 176.094 -0.031 0.000 1.034 82 V CA -0.766 61.442 62.300 -0.153 0.000 0.865 82 V CB 1.267 33.040 31.823 -0.084 0.000 0.995 82 V HN 0.847 nan 8.190 nan 0.000 0.424 83 I N 2.564 123.080 120.570 -0.089 0.000 2.892 83 I HA 0.702 4.881 4.170 0.015 0.000 0.306 83 I C -1.155 174.819 176.117 -0.239 0.000 1.078 83 I CA -0.928 60.219 61.300 -0.255 0.000 1.032 83 I CB 2.208 39.916 38.000 -0.487 0.000 1.229 83 I HN 0.257 nan 8.210 nan 0.000 0.435 84 L N 2.349 123.423 121.223 -0.248 0.000 2.334 84 L HA 0.585 4.934 4.340 0.015 0.000 0.270 84 L C -0.353 176.374 176.870 -0.238 0.000 1.018 84 L CA -0.398 54.324 54.840 -0.197 0.000 0.811 84 L CB 1.767 43.746 42.059 -0.134 0.000 1.271 84 L HN 0.809 nan 8.230 nan 0.000 0.443 85 E N 0.828 120.914 120.200 -0.190 0.000 2.234 85 E HA 0.545 4.904 4.350 0.015 0.000 0.266 85 E C -0.846 175.692 176.600 -0.104 0.000 0.877 85 E CA -0.749 55.548 56.400 -0.170 0.000 0.758 85 E CB 2.199 31.789 29.700 -0.183 0.000 1.170 85 E HN 0.720 nan 8.360 nan 0.000 0.415 86 A N 2.709 125.479 122.820 -0.083 0.000 2.546 86 A HA 0.430 4.759 4.320 0.015 0.000 0.243 86 A C 1.203 178.762 177.584 -0.042 0.000 1.063 86 A CA 0.931 52.936 52.037 -0.054 0.000 0.757 86 A CB -0.450 18.526 19.000 -0.041 0.000 0.991 86 A HN 1.146 nan 8.150 nan 0.000 0.503 87 G N 1.632 110.413 108.800 -0.033 0.000 2.199 87 G HA2 -0.197 3.772 3.960 0.015 0.000 0.254 87 G HA3 -0.197 3.772 3.960 0.015 0.000 0.254 87 G C 0.237 175.124 174.900 -0.022 0.000 0.982 87 G CA 0.602 45.689 45.100 -0.022 0.000 0.632 87 G HN 0.730 nan 8.290 nan 0.000 0.529 88 K N 1.338 121.717 120.400 -0.034 0.000 2.206 88 K HA 0.515 4.844 4.320 0.015 0.000 0.264 88 K C -2.348 174.232 176.600 -0.034 0.000 0.967 88 K CA -1.687 54.581 56.287 -0.032 0.000 0.844 88 K CB 2.390 34.862 32.500 -0.047 0.000 1.099 88 K HN 0.165 nan 8.250 nan 0.000 0.441 89 P HA 0.191 nan 4.420 nan 0.000 0.275 89 P C 0.581 177.863 177.300 -0.031 0.000 1.228 89 P CA 0.216 63.307 63.100 -0.017 0.000 0.786 89 P CB 0.790 32.490 31.700 0.001 0.000 0.927 90 G N 0.932 109.710 108.800 -0.036 0.000 2.527 90 G HA2 -0.074 3.895 3.960 0.015 0.000 0.268 90 G HA3 -0.074 3.895 3.960 0.015 0.000 0.268 90 G C -0.341 174.499 174.900 -0.099 0.000 1.175 90 G CA 0.335 45.399 45.100 -0.060 0.000 0.962 90 G HN 0.970 nan 8.290 nan 0.000 0.560 91 V N -3.442 116.394 119.914 -0.131 0.000 3.181 91 V HA 0.941 5.070 4.120 0.015 0.000 0.308 91 V C -0.432 175.583 176.094 -0.132 0.000 1.214 91 V CA -0.690 61.513 62.300 -0.162 0.000 1.053 91 V CB 1.908 33.583 31.823 -0.245 0.000 1.069 91 V HN 1.033 nan 8.190 nan 0.000 0.441 92 K N 1.048 121.368 120.400 -0.133 0.000 2.259 92 K HA 0.708 5.038 4.320 0.015 0.000 0.249 92 K C -0.934 175.612 176.600 -0.090 0.000 0.942 92 K CA -0.564 55.682 56.287 -0.068 0.000 0.816 92 K CB 2.288 34.759 32.500 -0.050 0.000 1.155 92 K HN 1.009 nan 8.250 nan 0.000 0.428 93 E N 0.261 120.387 120.200 -0.124 0.000 2.416 93 E HA 0.793 5.152 4.350 0.015 0.000 0.273 93 E C -0.482 175.763 176.600 -0.592 0.000 0.935 93 E CA -1.243 54.919 56.400 -0.396 0.000 0.784 93 E CB 2.228 31.857 29.700 -0.118 0.000 1.301 93 E HN 0.642 nan 8.360 nan 0.000 0.454 94 G N 0.190 108.298 108.800 -1.153 0.000 2.341 94 G HA2 0.410 4.380 3.960 0.015 0.000 0.299 94 G HA3 0.410 4.380 3.960 0.015 0.000 0.299 94 G C -1.815 172.796 174.900 -0.483 0.000 1.274 94 G CA -1.003 43.673 45.100 -0.705 0.000 0.853 94 G HN 0.411 nan 8.290 nan 0.000 0.493 95 L N -0.048 121.160 121.223 -0.025 0.000 2.381 95 L HA 0.710 5.059 4.340 0.015 0.000 0.268 95 L C -0.562 176.439 176.870 0.219 0.000 0.997 95 L CA -1.180 53.745 54.840 0.143 0.000 0.818 95 L CB 2.329 44.450 42.059 0.104 0.000 1.310 95 L HN 0.332 nan 8.230 nan 0.000 0.416 96 V N 0.990 121.036 119.914 0.220 0.000 2.417 96 V HA 0.172 4.301 4.120 0.015 0.000 0.291 96 V C -0.539 175.608 176.094 0.090 0.000 1.024 96 V CA -0.514 61.868 62.300 0.136 0.000 0.861 96 V CB 1.891 33.788 31.823 0.123 0.000 0.985 96 V HN 0.712 nan 8.190 nan 0.000 0.436 97 D N 3.524 123.958 120.400 0.057 0.000 2.325 97 D HA 0.256 4.905 4.640 0.015 0.000 0.251 97 D C 0.931 177.252 176.300 0.035 0.000 1.196 97 D CA -0.123 53.903 54.000 0.042 0.000 0.866 97 D CB 1.034 41.853 40.800 0.031 0.000 1.101 97 D HN 0.450 nan 8.370 nan 0.000 0.476 98 L N 3.587 124.830 121.223 0.033 0.000 2.217 98 L HA 0.011 4.360 4.340 0.015 0.000 0.211 98 L C 2.294 179.174 176.870 0.017 0.000 1.107 98 L CA 0.792 55.648 54.840 0.026 0.000 0.783 98 L CB -0.197 41.878 42.059 0.026 0.000 0.919 98 L HN 0.571 nan 8.230 nan 0.000 0.442 99 A N -0.202 122.627 122.820 0.015 0.000 1.897 99 A HA -0.152 4.177 4.320 0.015 0.000 0.215 99 A C 2.388 179.980 177.584 0.013 0.000 1.181 99 A CA 1.700 53.743 52.037 0.011 0.000 0.620 99 A CB -0.451 18.553 19.000 0.008 0.000 0.821 99 A HN 0.457 nan 8.150 nan 0.000 0.443 100 S N -1.052 114.657 115.700 0.016 0.000 2.575 100 S HA 0.333 4.812 4.470 0.015 0.000 0.215 100 S C 0.556 175.167 174.600 0.019 0.000 0.966 100 S CA 0.184 58.395 58.200 0.017 0.000 0.911 100 S CB -0.632 62.579 63.200 0.019 0.000 0.780 100 S HN 0.573 nan 8.310 nan 0.000 0.514 101 L N 2.086 123.321 121.223 0.019 0.000 3.879 101 L HA -0.183 4.166 4.340 0.015 0.000 0.481 101 L C 0.116 177.001 176.870 0.025 0.000 1.232 101 L CA 0.497 55.349 54.840 0.020 0.000 0.736 101 L CB -2.274 39.795 42.059 0.016 0.000 1.511 101 L HN 0.696 nan 8.230 nan 0.000 0.830 102 S N -2.167 113.548 115.700 0.025 0.000 2.546 102 S HA 0.725 5.204 4.470 0.015 0.000 0.274 102 S C -0.334 174.266 174.600 0.001 0.000 1.121 102 S CA -1.028 57.186 58.200 0.024 0.000 0.887 102 S CB 2.454 65.674 63.200 0.033 0.000 1.094 102 S HN -0.012 nan 8.310 nan 0.000 0.474 103 V N 3.655 123.533 119.914 -0.060 0.000 2.446 103 V HA 0.170 4.299 4.120 0.015 0.000 0.276 103 V C 1.247 177.280 176.094 -0.102 0.000 1.030 103 V CA 0.073 62.279 62.300 -0.157 0.000 1.033 103 V CB -0.036 31.410 31.823 -0.629 0.000 0.993 103 V HN 0.894 nan 8.190 nan 0.000 0.477 104 I N 1.230 121.785 120.570 -0.025 0.000 3.941 104 I HA 0.512 4.691 4.170 0.015 0.000 0.321 104 I C 0.616 176.733 176.117 -0.001 0.000 1.284 104 I CA 0.370 61.668 61.300 -0.003 0.000 1.226 104 I CB 0.439 38.451 38.000 0.021 0.000 1.045 104 I HN 0.594 nan 8.210 nan 0.000 0.420 105 E N 0.538 120.733 120.200 -0.008 0.000 2.335 105 E HA 0.474 4.833 4.350 0.015 0.000 0.280 105 E C -1.341 175.253 176.600 -0.010 0.000 0.918 105 E CA -0.499 55.902 56.400 0.003 0.000 0.765 105 E CB 2.346 32.058 29.700 0.019 0.000 1.218 105 E HN 0.107 nan 8.360 nan 0.000 0.425 106 T N 2.808 117.369 114.554 0.012 0.000 3.012 106 T HA 0.645 5.004 4.350 0.015 0.000 0.330 106 T C -1.937 172.813 174.700 0.082 0.000 1.321 106 T CA -0.656 61.477 62.100 0.053 0.000 1.067 106 T CB 0.875 69.794 68.868 0.085 0.000 1.235 106 T HN 0.622 nan 8.240 nan 0.000 0.479 107 R N 1.735 122.288 120.500 0.088 0.000 2.690 107 R HA 0.824 5.173 4.340 0.015 0.000 0.269 107 R C -1.720 174.627 176.300 0.078 0.000 1.037 107 R CA -1.254 54.898 56.100 0.087 0.000 0.877 107 R CB 1.108 31.444 30.300 0.059 0.000 1.255 107 R HN 0.685 nan 8.270 nan 0.000 0.467 108 A N 2.560 125.422 122.820 0.070 0.000 2.288 108 A HA 0.641 4.970 4.320 0.015 0.000 0.320 108 A C -0.664 176.930 177.584 0.018 0.000 1.217 108 A CA -0.892 51.170 52.037 0.041 0.000 0.840 108 A CB 0.758 19.791 19.000 0.054 0.000 1.179 108 A HN 0.587 nan 8.150 nan 0.000 0.504 109 L N 3.122 124.336 121.223 -0.015 0.000 2.384 109 L HA 0.330 4.679 4.340 0.015 0.000 0.261 109 L C 0.696 177.546 176.870 -0.035 0.000 1.024 109 L CA -0.091 54.737 54.840 -0.021 0.000 0.899 109 L CB 1.184 43.220 42.059 -0.038 0.000 1.243 109 L HN 0.885 nan 8.230 nan 0.000 0.449 110 E N 0.411 120.606 120.200 -0.009 0.000 2.482 110 E HA -0.067 4.292 4.350 0.015 0.000 0.196 110 E C 0.919 177.522 176.600 0.005 0.000 1.047 110 E CA 1.051 57.447 56.400 -0.006 0.000 0.869 110 E CB 0.339 30.043 29.700 0.008 0.000 0.836 110 E HN 0.679 nan 8.360 nan 0.000 0.520 111 T N -2.115 112.447 114.554 0.013 0.000 3.252 111 T HA 0.270 4.629 4.350 0.015 0.000 0.286 111 T C 0.231 174.962 174.700 0.051 0.000 1.013 111 T CA -0.490 61.634 62.100 0.040 0.000 0.914 111 T CB -0.168 68.732 68.868 0.054 0.000 1.131 111 T HN -0.018 nan 8.240 nan 0.000 0.529 112 V N -1.972 117.949 119.914 0.012 0.000 3.019 112 V HA 0.838 4.967 4.120 0.015 0.000 0.317 112 V C -1.365 174.724 176.094 -0.010 0.000 1.094 112 V CA -1.062 61.249 62.300 0.017 0.000 1.000 112 V CB 2.206 34.020 31.823 -0.015 0.000 1.060 112 V HN 0.147 nan 8.190 nan 0.000 0.443 113 Q N 1.798 121.617 119.800 0.031 0.000 2.375 113 Q HA 0.645 4.994 4.340 0.015 0.000 0.271 113 Q C -2.822 173.200 176.000 0.036 0.000 1.074 113 Q CA -1.721 54.090 55.803 0.014 0.000 0.808 113 Q CB 2.806 31.576 28.738 0.053 0.000 1.327 113 Q HN 0.727 nan 8.270 nan 0.000 0.441 114 P HA 0.344 nan 4.420 nan 0.000 0.286 114 P C -0.001 177.364 177.300 0.110 0.000 1.292 114 P CA -0.822 62.345 63.100 0.112 0.000 0.842 114 P CB 1.300 33.031 31.700 0.051 0.000 1.207 115 I N 0.149 120.811 120.570 0.155 0.000 2.948 115 I HA -0.120 4.060 4.170 0.015 0.000 0.303 115 I C -0.011 176.180 176.117 0.124 0.000 1.224 115 I CA 0.208 61.582 61.300 0.124 0.000 1.442 115 I CB 0.048 38.182 38.000 0.224 0.000 1.328 115 I HN 0.123 nan 8.210 nan 0.000 0.578 116 L N 7.771 129.053 121.223 0.098 0.000 2.261 116 L HA 0.233 4.582 4.340 0.015 0.000 0.289 116 L C 0.651 177.601 176.870 0.133 0.000 1.059 116 L CA -0.411 54.504 54.840 0.125 0.000 0.816 116 L CB 0.784 42.949 42.059 0.177 0.000 1.191 116 L HN 0.670 nan 8.230 nan 0.000 0.431 117 T N -0.501 114.048 114.554 -0.007 0.000 2.816 117 T HA 0.204 4.563 4.350 0.015 0.000 0.282 117 T C 1.438 176.050 174.700 -0.147 0.000 0.993 117 T CA -0.862 61.088 62.100 -0.250 0.000 0.994 117 T CB 1.394 70.019 68.868 -0.404 0.000 1.025 117 T HN 0.177 nan 8.240 nan 0.000 0.529 118 V N 1.376 121.158 119.914 -0.221 0.000 2.324 118 V HA -0.172 3.957 4.120 0.015 0.000 0.250 118 V C 2.852 178.915 176.094 -0.052 0.000 1.060 118 V CA 2.261 64.507 62.300 -0.090 0.000 1.042 118 V CB -1.041 30.744 31.823 -0.064 0.000 0.650 118 V HN 0.946 nan 8.190 nan 0.000 0.450 119 E N -0.292 119.863 120.200 -0.074 0.000 2.077 119 E HA -0.235 4.124 4.350 0.015 0.000 0.193 119 E C 2.011 178.601 176.600 -0.016 0.000 0.989 119 E CA 1.381 57.761 56.400 -0.033 0.000 0.800 119 E CB -0.222 29.459 29.700 -0.031 0.000 0.746 119 E HN 0.602 nan 8.360 nan 0.000 0.452 120 D N 0.557 120.943 120.400 -0.023 0.000 2.149 120 D HA -0.149 4.500 4.640 0.015 0.000 0.198 120 D C 1.920 178.237 176.300 0.028 0.000 0.990 120 D CA 0.993 54.996 54.000 0.005 0.000 0.839 120 D CB -0.044 40.764 40.800 0.014 0.000 0.948 120 D HN 0.191 nan 8.370 nan 0.000 0.460 121 L N 0.607 121.850 121.223 0.034 0.000 2.375 121 L HA -0.010 4.339 4.340 0.015 0.000 0.215 121 L C 2.676 179.574 176.870 0.046 0.000 1.108 121 L CA 0.303 55.176 54.840 0.055 0.000 0.830 121 L CB -0.180 41.911 42.059 0.053 0.000 0.959 121 L HN 0.189 nan 8.230 nan 0.000 0.457 122 C N -1.531 117.787 119.300 0.030 0.000 2.432 122 C HA -0.045 4.424 4.460 0.015 0.000 0.280 122 C C 2.838 177.848 174.990 0.033 0.000 1.353 122 C CA 0.480 59.517 59.018 0.032 0.000 1.766 122 C CB -1.156 26.598 27.740 0.023 0.000 1.924 122 C HN 0.569 nan 8.230 nan 0.000 0.509 123 S N -0.224 115.493 115.700 0.028 0.000 2.548 123 S HA -0.000 4.479 4.470 0.015 0.000 0.215 123 S C 1.388 176.004 174.600 0.027 0.000 0.976 123 S CA 1.024 59.237 58.200 0.022 0.000 0.908 123 S CB -0.961 62.248 63.200 0.015 0.000 0.781 123 S HN 0.624 nan 8.310 nan 0.000 0.519 124 T N 2.581 117.159 114.554 0.040 0.000 2.759 124 T HA -0.105 4.254 4.350 0.015 0.000 0.269 124 T C 1.616 176.342 174.700 0.045 0.000 1.042 124 T CA 1.748 63.876 62.100 0.047 0.000 1.140 124 T CB -0.331 68.580 68.868 0.070 0.000 0.864 124 T HN 0.667 nan 8.240 nan 0.000 0.455 125 E N 0.518 120.745 120.200 0.045 0.000 2.077 125 E HA -0.163 4.197 4.350 0.015 0.000 0.193 125 E C 2.210 178.810 176.600 0.000 0.000 0.989 125 E CA 0.893 57.311 56.400 0.029 0.000 0.800 125 E CB 0.106 29.822 29.700 0.025 0.000 0.746 125 E HN 0.319 nan 8.360 nan 0.000 0.452 126 E N 0.044 120.243 120.200 -0.002 0.000 2.152 126 E HA -0.112 4.247 4.350 0.015 0.000 0.192 126 E C 2.226 178.828 176.600 0.003 0.000 0.983 126 E CA 0.551 56.946 56.400 -0.008 0.000 0.818 126 E CB 0.016 29.711 29.700 -0.008 0.000 0.758 126 E HN 0.192 nan 8.360 nan 0.000 0.467 127 V N 2.195 122.115 119.914 0.011 0.000 2.255 127 V HA -0.273 3.856 4.120 0.015 0.000 0.247 127 V C 2.578 178.684 176.094 0.021 0.000 1.051 127 V CA 2.043 64.352 62.300 0.014 0.000 1.018 127 V CB -0.704 31.128 31.823 0.015 0.000 0.641 127 V HN 0.339 nan 8.190 nan 0.000 0.445 128 I N -1.247 119.342 120.570 0.032 0.000 2.439 128 I HA -0.149 4.030 4.170 0.015 0.000 0.251 128 I C 2.502 178.647 176.117 0.047 0.000 1.139 128 I CA 1.529 62.860 61.300 0.051 0.000 1.438 128 I CB -0.575 37.472 38.000 0.079 0.000 1.085 128 I HN 0.043 nan 8.210 nan 0.000 0.427 129 R N 1.155 121.670 120.500 0.024 0.000 2.152 129 R HA -0.038 4.311 4.340 0.015 0.000 0.232 129 R C 1.329 177.639 176.300 0.017 0.000 1.117 129 R CA 1.435 57.544 56.100 0.015 0.000 0.981 129 R CB -0.477 29.814 30.300 -0.016 0.000 0.870 129 R HN 0.556 nan 8.270 nan 0.000 0.451 130 N N 0.619 119.326 118.700 0.012 0.000 2.236 130 N HA -0.044 4.705 4.740 0.015 0.000 0.196 130 N C -0.575 174.938 175.510 0.006 0.000 1.114 130 N CA 0.159 53.214 53.050 0.008 0.000 0.859 130 N CB 0.416 38.905 38.487 0.004 0.000 0.982 130 N HN 0.156 nan 8.380 nan 0.000 0.493 131 D N 1.165 121.570 120.400 0.009 0.000 2.295 131 D HA 0.154 4.803 4.640 0.015 0.000 0.248 131 D C -1.587 174.707 176.300 -0.010 0.000 1.154 131 D CA -1.932 52.068 54.000 0.001 0.000 0.857 131 D CB 1.857 42.661 40.800 0.006 0.000 1.117 131 D HN -0.083 nan 8.370 nan 0.000 0.468 132 P HA -0.159 nan 4.420 nan 0.000 0.216 132 P C 0.853 178.122 177.300 -0.053 0.000 1.150 132 P CA 1.230 64.313 63.100 -0.029 0.000 0.837 132 P CB 0.131 31.815 31.700 -0.027 0.000 0.786 133 A N -0.685 122.098 122.820 -0.062 0.000 1.898 133 A HA -0.137 4.193 4.320 0.015 0.000 0.216 133 A C 2.329 179.827 177.584 -0.145 0.000 1.181 133 A CA 1.696 53.671 52.037 -0.103 0.000 0.620 133 A CB -1.650 17.288 19.000 -0.104 0.000 0.819 133 A HN 0.036 nan 8.150 nan 0.000 0.442 134 V N 0.291 120.151 119.914 -0.090 0.000 2.295 134 V HA -0.270 3.860 4.120 0.015 0.000 0.246 134 V C 2.418 178.460 176.094 -0.086 0.000 1.049 134 V CA 2.003 64.259 62.300 -0.073 0.000 1.024 134 V CB -0.731 31.137 31.823 0.075 0.000 0.648 134 V HN 0.574 nan 8.190 nan 0.000 0.447 135 I N 0.929 121.474 120.570 -0.041 0.000 2.163 135 I HA -0.319 3.860 4.170 0.015 0.000 0.243 135 I C 2.707 178.781 176.117 -0.072 0.000 1.085 135 I CA 2.237 63.521 61.300 -0.027 0.000 1.347 135 I CB -0.561 37.432 38.000 -0.012 0.000 1.044 135 I HN 0.545 nan 8.210 nan 0.000 0.408 136 E N 0.488 120.624 120.200 -0.107 0.000 2.110 136 E HA -0.270 4.089 4.350 0.015 0.000 0.193 136 E C 2.011 178.497 176.600 -0.191 0.000 0.988 136 E CA 0.902 57.227 56.400 -0.124 0.000 0.804 136 E CB -0.354 29.278 29.700 -0.114 0.000 0.745 136 E HN 0.483 nan 8.360 nan 0.000 0.458 137 Q N 0.567 120.164 119.800 -0.338 0.000 2.119 137 Q HA -0.074 4.275 4.340 0.015 0.000 0.201 137 Q C 2.394 178.173 176.000 -0.369 0.000 0.972 137 Q CA 1.263 56.718 55.803 -0.581 0.000 0.847 137 Q CB -0.630 27.298 28.738 -1.350 0.000 0.903 137 Q HN 0.433 nan 8.270 nan 0.000 0.433 138 C N -0.199 119.007 119.300 -0.157 0.000 2.432 138 C HA -0.074 4.395 4.460 0.015 0.000 0.277 138 C C 2.865 177.859 174.990 0.008 0.000 1.249 138 C CA 0.454 59.514 59.018 0.071 0.000 1.725 138 C CB -1.010 26.804 27.740 0.123 0.000 2.028 138 C HN 0.249 nan 8.230 nan 0.000 0.477 139 V N 0.702 120.596 119.914 -0.033 0.000 2.295 139 V HA -0.199 3.930 4.120 0.015 0.000 0.246 139 V C 2.432 178.502 176.094 -0.040 0.000 1.049 139 V CA 1.622 63.904 62.300 -0.031 0.000 1.024 139 V CB -0.703 31.099 31.823 -0.036 0.000 0.648 139 V HN 0.389 nan 8.190 nan 0.000 0.447 140 L N 0.229 121.413 121.223 -0.064 0.000 2.127 140 L HA -0.123 4.226 4.340 0.015 0.000 0.211 140 L C 2.341 179.193 176.870 -0.030 0.000 1.089 140 L CA 1.862 56.668 54.840 -0.057 0.000 0.757 140 L CB -1.244 40.762 42.059 -0.089 0.000 0.899 140 L HN 0.329 nan 8.230 nan 0.000 0.434 141 S N -0.859 114.836 115.700 -0.008 0.000 2.603 141 S HA 0.276 4.755 4.470 0.015 0.000 0.220 141 S C 1.390 175.979 174.600 -0.019 0.000 0.967 141 S CA 0.624 58.839 58.200 0.024 0.000 0.920 141 S CB 0.054 63.330 63.200 0.127 0.000 0.773 141 S HN 0.634 nan 8.310 nan 0.000 0.529 142 G N 1.385 110.166 108.800 -0.032 0.000 2.134 142 G HA2 -0.200 3.770 3.960 0.015 0.000 0.209 142 G HA3 -0.200 3.770 3.960 0.015 0.000 0.209 142 G C -0.131 174.722 174.900 -0.078 0.000 0.993 142 G CA -0.448 44.620 45.100 -0.054 0.000 0.669 142 G HN 0.487 nan 8.290 nan 0.000 0.519 143 I N 2.287 122.824 120.570 -0.056 0.000 2.382 143 I HA 0.323 4.503 4.170 0.015 0.000 0.285 143 I C -1.991 174.129 176.117 0.005 0.000 1.007 143 I CA -2.539 58.736 61.300 -0.042 0.000 1.142 143 I CB 2.057 40.044 38.000 -0.023 0.000 1.289 143 I HN -0.138 nan 8.210 nan 0.000 0.453 144 P HA 0.007 nan 4.420 nan 0.000 0.268 144 P C 0.642 177.962 177.300 0.032 0.000 1.208 144 P CA -0.063 63.049 63.100 0.020 0.000 0.777 144 P CB 0.994 32.709 31.700 0.025 0.000 0.875 145 A N 3.387 126.221 122.820 0.024 0.000 1.986 145 A HA -0.240 4.089 4.320 0.015 0.000 0.220 145 A C 1.586 179.199 177.584 0.050 0.000 1.171 145 A CA 2.035 54.090 52.037 0.029 0.000 0.640 145 A CB -1.414 17.595 19.000 0.015 0.000 0.811 145 A HN 0.717 nan 8.150 nan 0.000 0.451 146 N N -0.137 118.597 118.700 0.057 0.000 2.521 146 N HA -0.052 4.697 4.740 0.015 0.000 0.188 146 N C 0.513 176.109 175.510 0.143 0.000 1.146 146 N CA 0.997 54.098 53.050 0.086 0.000 0.893 146 N CB -0.323 38.205 38.487 0.069 0.000 0.975 146 N HN 0.650 nan 8.380 nan 0.000 0.451 147 E N -0.555 119.702 120.200 0.095 0.000 2.624 147 E HA 0.211 4.570 4.350 0.015 0.000 0.210 147 E C 0.794 177.357 176.600 -0.062 0.000 0.997 147 E CA -0.321 56.087 56.400 0.013 0.000 0.999 147 E CB 0.203 29.928 29.700 0.041 0.000 1.040 147 E HN 0.153 nan 8.360 nan 0.000 0.469 148 M N 0.951 120.576 119.600 0.042 0.000 2.346 148 M HA -0.144 4.345 4.480 0.015 0.000 0.263 148 M C 2.035 178.322 176.300 -0.022 0.000 1.064 148 M CA 1.437 56.756 55.300 0.031 0.000 1.083 148 M CB -1.040 31.591 32.600 0.051 0.000 1.399 148 M HN 0.371 nan 8.290 nan 0.000 0.435 149 H N -0.759 118.298 119.070 -0.023 0.000 2.545 149 H HA -0.004 4.561 4.556 0.015 0.000 0.282 149 H C 1.022 176.285 175.328 -0.108 0.000 1.020 149 H CA 0.789 56.786 56.048 -0.086 0.000 1.243 149 H CB -0.454 29.274 29.762 -0.055 0.000 1.377 149 H HN 0.368 nan 8.280 nan 0.000 0.581 150 K N 1.079 121.207 120.400 -0.454 0.000 2.444 150 K HA 0.186 4.516 4.320 0.015 0.000 0.193 150 K C 0.082 176.688 176.600 0.010 0.000 1.024 150 K CA -0.046 56.087 56.287 -0.256 0.000 1.077 150 K CB 0.976 33.258 32.500 -0.363 0.000 0.833 150 K HN 0.028 nan 8.250 nan 0.000 0.517 151 V N 1.890 121.801 119.914 -0.006 0.000 2.439 151 V HA 0.213 4.342 4.120 0.015 0.000 0.282 151 V C -0.668 175.400 176.094 -0.045 0.000 1.039 151 V CA -0.527 61.847 62.300 0.122 0.000 0.913 151 V CB 0.373 32.266 31.823 0.117 0.000 0.983 151 V HN 0.033 nan 8.190 nan 0.000 0.460 152 Y N 2.751 123.090 120.300 0.065 0.000 2.602 152 Y HA 0.759 5.318 4.550 0.015 0.000 0.342 152 Y C 0.204 176.167 175.900 0.106 0.000 1.029 152 Y CA -0.881 57.257 58.100 0.062 0.000 1.080 152 Y CB 2.112 40.585 38.460 0.021 0.000 1.284 152 Y HN 0.856 nan 8.280 nan 0.000 0.485 153 C N -1.043 118.418 119.300 0.267 0.000 2.985 153 C HA 0.641 5.110 4.460 0.015 0.000 0.314 153 C C -1.542 173.615 174.990 0.279 0.000 1.215 153 C CA -1.014 58.155 59.018 0.253 0.000 1.414 153 C CB 1.476 29.300 27.740 0.141 0.000 1.842 153 C HN 0.739 nan 8.230 nan 0.000 0.477 154 D N 4.273 124.890 120.400 0.361 0.000 2.295 154 D HA 0.448 5.097 4.640 0.015 0.000 0.248 154 D C -2.299 174.252 176.300 0.419 0.000 1.154 154 D CA -1.082 53.154 54.000 0.394 0.000 0.857 154 D CB 1.567 42.707 40.800 0.567 0.000 1.117 154 D HN 0.531 nan 8.370 nan 0.000 0.468 155 P HA 0.192 nan 4.420 nan 0.000 0.287 155 P C -0.792 176.737 177.300 0.381 0.000 1.307 155 P CA -0.527 62.743 63.100 0.284 0.000 0.777 155 P CB 0.322 32.124 31.700 0.171 0.000 0.883 156 W N 1.276 122.655 121.300 0.131 0.000 2.578 156 W HA 0.364 5.033 4.660 0.015 0.000 0.346 156 W C 0.940 177.582 176.519 0.205 0.000 1.075 156 W CA -0.439 57.035 57.345 0.214 0.000 1.233 156 W CB 0.976 30.526 29.460 0.149 0.000 1.358 156 W HN 0.179 nan 8.180 nan 0.000 0.574 157 T N 2.790 117.619 114.554 0.459 0.000 2.923 157 T HA -0.128 4.231 4.350 0.015 0.000 0.304 157 T C 1.248 176.081 174.700 0.221 0.000 1.044 157 T CA 0.347 62.571 62.100 0.207 0.000 1.141 157 T CB 0.170 69.019 68.868 -0.031 0.000 1.023 157 T HN 0.492 nan 8.240 nan 0.000 0.533 158 I N 3.794 124.439 120.570 0.126 0.000 2.700 158 I HA 0.041 4.220 4.170 0.015 0.000 0.261 158 I C 1.765 177.917 176.117 0.058 0.000 1.219 158 I CA 1.555 62.905 61.300 0.083 0.000 1.463 158 I CB -0.691 37.340 38.000 0.050 0.000 1.092 158 I HN 1.103 nan 8.210 nan 0.000 0.452 159 G N 0.346 109.176 108.800 0.050 0.000 4.886 159 G HA2 -0.384 3.585 3.960 0.015 0.000 0.305 159 G HA3 -0.384 3.585 3.960 0.015 0.000 0.305 159 G C -0.031 174.965 174.900 0.159 0.000 1.483 159 G CA 0.500 45.582 45.100 -0.030 0.000 1.029 159 G HN 0.434 nan 8.290 nan 0.000 0.746 160 Y N 1.953 122.275 120.300 0.036 0.000 2.436 160 Y HA 0.595 5.155 4.550 0.016 0.000 0.327 160 Y C -2.126 173.827 175.900 0.088 0.000 1.138 160 Y CA -0.670 57.481 58.100 0.085 0.000 1.042 160 Y CB 2.174 40.685 38.460 0.085 0.000 1.302 160 Y HN 0.473 nan 8.280 nan 0.000 0.439 161 D N 5.332 125.342 120.400 -0.650 0.000 2.686 161 D HA 0.129 4.778 4.640 0.015 0.000 0.249 161 D C 0.469 176.316 176.300 -0.755 0.000 1.260 161 D CA -0.248 53.463 54.000 -0.483 0.000 0.910 161 D CB 1.510 42.316 40.800 0.009 0.000 1.323 161 D HN 0.845 nan 8.370 nan 0.000 0.561 162 E N 3.660 123.444 120.200 -0.693 0.000 2.472 162 E HA -0.151 4.208 4.350 0.015 0.000 0.200 162 E C 0.835 177.213 176.600 -0.371 0.000 1.046 162 E CA 0.463 56.597 56.400 -0.443 0.000 0.871 162 E CB 0.041 29.653 29.700 -0.148 0.000 0.806 162 E HN 0.457 nan 8.360 nan 0.000 0.533 163 R N -0.558 119.622 120.500 -0.534 0.000 2.148 163 R HA 0.011 4.360 4.340 0.015 0.000 0.223 163 R C 1.352 177.083 176.300 -0.948 0.000 1.088 163 R CA 1.403 56.963 56.100 -0.901 0.000 0.985 163 R CB 0.023 29.400 30.300 -1.539 0.000 0.880 163 R HN 0.345 nan 8.270 nan 0.000 0.451 164 W N -0.757 120.443 121.300 -0.167 0.000 2.661 164 W HA 0.322 4.991 4.660 0.015 0.000 0.288 164 W C 1.038 177.522 176.519 -0.057 0.000 1.014 164 W CA 0.467 57.751 57.345 -0.101 0.000 1.396 164 W CB -0.034 29.374 29.460 -0.087 0.000 0.963 164 W HN 0.227 nan 8.180 nan 0.000 0.584 165 G N 2.102 110.951 108.800 0.082 0.000 2.611 165 G HA2 -0.421 3.548 3.960 0.015 0.000 0.301 165 G HA3 -0.421 3.548 3.960 0.015 0.000 0.301 165 G C 0.765 175.803 174.900 0.230 0.000 1.233 165 G CA 2.097 47.314 45.100 0.195 0.000 0.993 165 G HN 0.140 nan 8.290 nan 0.000 0.553 166 T N -1.625 113.055 114.554 0.210 0.000 3.145 166 T HA 0.492 4.851 4.350 0.015 0.000 0.255 166 T C 2.066 176.837 174.700 0.118 0.000 1.039 166 T CA 1.058 63.257 62.100 0.165 0.000 0.928 166 T CB 0.677 69.639 68.868 0.157 0.000 1.029 166 T HN 1.578 nan 8.240 nan 0.000 0.554 167 G N 1.505 110.383 108.800 0.131 0.000 2.443 167 G HA2 0.073 4.043 3.960 0.015 0.000 0.219 167 G HA3 0.073 4.043 3.960 0.015 0.000 0.219 167 G C 0.472 175.422 174.900 0.083 0.000 1.131 167 G CA 0.117 45.282 45.100 0.107 0.000 0.775 167 G HN 0.479 nan 8.290 nan 0.000 0.547 168 K N -0.703 119.743 120.400 0.077 0.000 2.385 168 K HA 0.445 4.774 4.320 0.015 0.000 0.248 168 K C -0.830 175.769 176.600 -0.002 0.000 0.955 168 K CA -0.933 55.359 56.287 0.008 0.000 0.816 168 K CB 2.367 34.826 32.500 -0.069 0.000 1.250 168 K HN -0.032 nan 8.250 nan 0.000 0.434 169 R N 2.978 123.465 120.500 -0.021 0.000 2.202 169 R HA 0.344 4.693 4.340 0.015 0.000 0.334 169 R C -1.082 175.195 176.300 -0.038 0.000 1.036 169 R CA -0.188 55.905 56.100 -0.012 0.000 0.878 169 R CB 0.202 30.497 30.300 -0.010 0.000 1.067 169 R HN 0.479 nan 8.270 nan 0.000 0.457 170 L N 3.792 124.998 121.223 -0.028 0.000 2.381 170 L HA 0.461 4.810 4.340 0.015 0.000 0.268 170 L C -0.419 176.450 176.870 -0.001 0.000 0.997 170 L CA -0.944 53.857 54.840 -0.064 0.000 0.818 170 L CB 2.436 44.416 42.059 -0.131 0.000 1.310 170 L HN 0.607 nan 8.230 nan 0.000 0.416 171 Q N 1.671 121.474 119.800 0.005 0.000 2.351 171 Q HA 0.461 4.810 4.340 0.015 0.000 0.273 171 Q C -1.324 174.710 176.000 0.056 0.000 1.077 171 Q CA -0.864 54.983 55.803 0.072 0.000 0.843 171 Q CB 2.981 31.779 28.738 0.100 0.000 1.367 171 Q HN 0.529 nan 8.270 nan 0.000 0.449 172 Q N -0.158 119.706 119.800 0.107 0.000 2.309 172 Q HA 0.786 5.136 4.340 0.015 0.000 0.264 172 Q C -1.433 174.619 176.000 0.087 0.000 1.008 172 Q CA -1.030 54.810 55.803 0.061 0.000 0.853 172 Q CB 1.812 30.555 28.738 0.009 0.000 1.314 172 Q HN 0.544 nan 8.270 nan 0.000 0.448 173 A N 4.433 127.280 122.820 0.044 0.000 2.256 173 A HA 0.463 4.793 4.320 0.015 0.000 0.317 173 A C -0.421 177.136 177.584 -0.045 0.000 1.318 173 A CA -0.820 51.249 52.037 0.053 0.000 0.894 173 A CB 0.369 19.407 19.000 0.064 0.000 1.165 173 A HN 0.797 nan 8.150 nan 0.000 0.525 174 L N 3.821 125.011 121.223 -0.055 0.000 2.278 174 L HA 0.299 4.648 4.340 0.015 0.000 0.287 174 L C -0.439 176.343 176.870 -0.146 0.000 1.072 174 L CA -0.484 54.255 54.840 -0.169 0.000 0.819 174 L CB 0.916 42.855 42.059 -0.201 0.000 1.176 174 L HN 0.390 nan 8.230 nan 0.000 0.435 175 V N 4.313 123.987 119.914 -0.399 0.000 2.481 175 V HA 0.429 4.558 4.120 0.015 0.000 0.286 175 V C -0.512 175.237 176.094 -0.574 0.000 1.042 175 V CA -0.388 61.700 62.300 -0.352 0.000 0.928 175 V CB 1.345 32.871 31.823 -0.495 0.000 0.986 175 V HN 0.454 nan 8.190 nan 0.000 0.462 176 Y N 2.620 122.919 120.300 -0.002 0.000 2.669 176 Y HA 0.635 5.194 4.550 0.015 0.000 0.335 176 Y C -0.895 175.124 175.900 0.199 0.000 1.116 176 Y CA -0.977 57.152 58.100 0.049 0.000 1.081 176 Y CB 2.021 40.433 38.460 -0.080 0.000 1.297 176 Y HN 0.585 nan 8.280 nan 0.000 0.484 177 Y N 1.012 121.481 120.300 0.281 0.000 2.442 177 Y HA 0.679 5.238 4.550 0.015 0.000 0.344 177 Y C -1.265 174.774 175.900 0.232 0.000 0.976 177 Y CA -1.281 56.964 58.100 0.242 0.000 1.040 177 Y CB 1.411 39.993 38.460 0.202 0.000 1.228 177 Y HN 0.544 nan 8.280 nan 0.000 0.451 178 R N 3.748 123.898 120.500 -0.584 0.000 2.437 178 R HA 0.356 4.705 4.340 0.015 0.000 0.310 178 R C 0.351 176.008 176.300 -1.072 0.000 0.955 178 R CA -0.531 55.100 56.100 -0.780 0.000 0.851 178 R CB 1.910 31.820 30.300 -0.651 0.000 1.161 178 R HN 0.820 nan 8.270 nan 0.000 0.446 179 S N 0.945 116.043 115.700 -1.003 0.000 2.406 179 S HA -0.108 4.371 4.470 0.015 0.000 0.228 179 S C 0.330 174.715 174.600 -0.359 0.000 1.020 179 S CA 1.035 58.928 58.200 -0.512 0.000 0.965 179 S CB -0.040 63.030 63.200 -0.216 0.000 0.798 179 S HN 0.654 nan 8.310 nan 0.000 0.488 180 D N -0.461 119.686 120.400 -0.421 0.000 2.732 180 D HA 0.219 4.869 4.640 0.015 0.000 0.229 180 D C 0.697 176.835 176.300 -0.270 0.000 1.152 180 D CA -0.568 53.281 54.000 -0.252 0.000 0.854 180 D CB 1.210 41.897 40.800 -0.188 0.000 1.590 180 D HN 0.087 nan 8.370 nan 0.000 0.468 181 E N 1.363 121.472 120.200 -0.152 0.000 2.267 181 E HA -0.228 4.131 4.350 0.015 0.000 0.197 181 E C 0.173 176.647 176.600 -0.210 0.000 0.998 181 E CA 1.052 57.374 56.400 -0.130 0.000 0.830 181 E CB 0.006 29.692 29.700 -0.024 0.000 0.751 181 E HN 0.382 nan 8.360 nan 0.000 0.491 182 D N 1.145 121.420 120.400 -0.207 0.000 2.340 182 D HA 0.029 4.678 4.640 0.015 0.000 0.220 182 D C -0.283 175.867 176.300 -0.250 0.000 1.039 182 D CA 0.220 54.086 54.000 -0.224 0.000 0.866 182 D CB -0.124 40.559 40.800 -0.195 0.000 0.913 182 D HN 0.136 nan 8.370 nan 0.000 0.523 183 D N 0.289 120.478 120.400 -0.351 0.000 2.423 183 D HA -0.028 4.622 4.640 0.015 0.000 0.238 183 D C 0.207 176.278 176.300 -0.382 0.000 1.142 183 D CA 0.341 54.064 54.000 -0.462 0.000 0.884 183 D CB 0.789 41.169 40.800 -0.701 0.000 1.199 183 D HN -0.202 nan 8.370 nan 0.000 0.438 184 S N 0.625 116.124 115.700 -0.336 0.000 2.448 184 S HA 0.011 4.490 4.470 0.015 0.000 0.279 184 S C 1.260 175.829 174.600 -0.050 0.000 1.195 184 S CA -0.593 57.519 58.200 -0.146 0.000 1.051 184 S CB 0.417 63.589 63.200 -0.046 0.000 0.948 184 S HN 0.384 nan 8.310 nan 0.000 0.493 185 Q N 4.307 123.963 119.800 -0.240 0.000 2.436 185 Q HA -0.121 4.228 4.340 0.015 0.000 0.209 185 Q C 0.314 176.219 176.000 -0.159 0.000 0.965 185 Q CA 1.392 57.041 55.803 -0.256 0.000 0.910 185 Q CB -0.405 28.005 28.738 -0.548 0.000 0.980 185 Q HN 0.906 nan 8.270 nan 0.000 0.491 186 Y N 1.820 122.121 120.300 0.001 0.000 2.616 186 Y HA -0.034 4.525 4.550 0.015 0.000 0.296 186 Y C 2.539 178.672 175.900 0.389 0.000 1.154 186 Y CA 0.980 59.129 58.100 0.082 0.000 1.325 186 Y CB 0.162 38.656 38.460 0.057 0.000 1.007 186 Y HN 0.331 nan 8.280 nan 0.000 0.542 187 S N -1.502 114.483 115.700 0.475 0.000 2.522 187 S HA -0.095 4.384 4.470 0.015 0.000 0.227 187 S C 0.219 174.873 174.600 0.089 0.000 0.986 187 S CA 0.654 59.076 58.200 0.369 0.000 0.929 187 S CB -0.433 62.886 63.200 0.199 0.000 0.769 187 S HN 0.464 nan 8.310 nan 0.000 0.529 188 H N 1.962 121.122 119.070 0.150 0.000 2.471 188 H HA 0.445 5.010 4.556 0.015 0.000 0.234 188 H C -2.838 172.610 175.328 0.200 0.000 1.388 188 H CA -1.990 54.138 56.048 0.134 0.000 1.198 188 H CB 0.492 30.330 29.762 0.128 0.000 1.714 188 H HN 0.342 nan 8.280 nan 0.000 0.536 189 P HA 0.032 nan 4.420 nan 0.000 0.272 189 P C 0.075 177.210 177.300 -0.276 0.000 1.223 189 P CA -0.056 62.892 63.100 -0.252 0.000 0.784 189 P CB 1.718 33.231 31.700 -0.311 0.000 0.923 190 L N 1.560 122.549 121.223 -0.390 0.000 2.416 190 L HA 0.286 4.635 4.340 0.015 0.000 0.263 190 L C 1.676 178.325 176.870 -0.368 0.000 1.065 190 L CA -0.489 54.153 54.840 -0.331 0.000 0.798 190 L CB 0.577 42.413 42.059 -0.373 0.000 1.267 190 L HN 0.360 nan 8.230 nan 0.000 0.467 191 D N -0.846 119.457 120.400 -0.161 0.000 2.354 191 D HA -0.005 4.644 4.640 0.015 0.000 0.209 191 D C 0.043 176.499 176.300 0.260 0.000 1.015 191 D CA 0.174 54.185 54.000 0.017 0.000 0.867 191 D CB -0.016 40.831 40.800 0.078 0.000 0.933 191 D HN 0.240 nan 8.370 nan 0.000 0.520 192 F N -0.876 119.131 119.950 0.096 0.000 2.575 192 F HA 0.648 5.184 4.527 0.015 0.000 0.330 192 F C -0.723 175.104 175.800 0.045 0.000 1.056 192 F CA -2.038 56.006 58.000 0.074 0.000 0.964 192 F CB 1.423 40.440 39.000 0.027 0.000 1.258 192 F HN -0.134 nan 8.300 nan 0.000 0.484 193 C N 3.644 123.077 119.300 0.221 0.000 2.654 193 C HA 0.592 5.061 4.460 0.015 0.000 0.315 193 C C -2.855 172.236 174.990 0.168 0.000 1.054 193 C CA -1.978 57.084 59.018 0.073 0.000 1.419 193 C CB 0.083 27.814 27.740 -0.015 0.000 1.889 193 C HN 0.665 nan 8.230 nan 0.000 0.447 194 P HA 0.315 nan 4.420 nan 0.000 0.271 194 P C -0.652 176.703 177.300 0.093 0.000 1.216 194 P CA 0.011 63.203 63.100 0.154 0.000 0.776 194 P CB 0.439 32.231 31.700 0.153 0.000 0.881 195 I N 3.159 123.776 120.570 0.079 0.000 2.378 195 I HA 0.305 4.484 4.170 0.015 0.000 0.291 195 I C -0.183 175.892 176.117 -0.070 0.000 0.992 195 I CA -0.718 60.572 61.300 -0.017 0.000 1.154 195 I CB 1.472 39.413 38.000 -0.099 0.000 1.315 195 I HN 0.033 nan 8.210 nan 0.000 0.448 196 V N 4.846 124.714 119.914 -0.076 0.000 2.487 196 V HA 0.265 4.395 4.120 0.015 0.000 0.298 196 V C -0.040 175.996 176.094 -0.097 0.000 1.028 196 V CA -0.796 61.467 62.300 -0.061 0.000 0.860 196 V CB 2.233 34.052 31.823 -0.006 0.000 0.991 196 V HN 0.638 nan 8.190 nan 0.000 0.427 197 D N 3.266 123.603 120.400 -0.106 0.000 2.338 197 D HA 0.091 4.740 4.640 0.015 0.000 0.255 197 D C 1.224 177.494 176.300 -0.050 0.000 1.237 197 D CA 0.252 54.192 54.000 -0.099 0.000 0.883 197 D CB 1.776 42.518 40.800 -0.097 0.000 1.087 197 D HN 0.611 nan 8.370 nan 0.000 0.485 198 T N 3.537 118.069 114.554 -0.036 0.000 2.684 198 T HA -0.149 4.210 4.350 0.015 0.000 0.267 198 T C 1.391 176.082 174.700 -0.015 0.000 1.036 198 T CA 1.039 63.131 62.100 -0.012 0.000 1.148 198 T CB 0.189 69.057 68.868 -0.001 0.000 0.863 198 T HN 0.457 nan 8.240 nan 0.000 0.436 199 E N 0.795 120.982 120.200 -0.022 0.000 2.170 199 E HA 0.012 4.372 4.350 0.015 0.000 0.191 199 E C 2.252 178.840 176.600 -0.021 0.000 0.981 199 E CA 0.563 56.949 56.400 -0.022 0.000 0.830 199 E CB -0.131 29.553 29.700 -0.027 0.000 0.775 199 E HN 0.454 nan 8.360 nan 0.000 0.470 200 E N 0.891 121.076 120.200 -0.024 0.000 2.358 200 E HA -0.028 4.331 4.350 0.015 0.000 0.195 200 E C 0.029 176.619 176.600 -0.016 0.000 1.010 200 E CA 0.100 56.488 56.400 -0.020 0.000 0.856 200 E CB 0.091 29.776 29.700 -0.025 0.000 0.795 200 E HN 0.167 nan 8.360 nan 0.000 0.504 201 K N 1.064 121.455 120.400 -0.016 0.000 3.148 201 K HA -0.217 4.112 4.320 0.015 0.000 0.267 201 K C -0.045 176.549 176.600 -0.010 0.000 0.996 201 K CA 0.794 57.075 56.287 -0.009 0.000 0.737 201 K CB -1.666 30.831 32.500 -0.004 0.000 1.308 201 K HN 0.308 nan 8.250 nan 0.000 0.470 202 K N -2.064 118.326 120.400 -0.017 0.000 2.477 202 K HA 0.477 4.806 4.320 0.015 0.000 0.255 202 K C -0.352 176.234 176.600 -0.023 0.000 0.952 202 K CA -1.109 55.169 56.287 -0.015 0.000 0.826 202 K CB 1.881 34.373 32.500 -0.014 0.000 1.331 202 K HN -0.113 nan 8.250 nan 0.000 0.437 203 V N 4.014 123.921 119.914 -0.011 0.000 2.470 203 V HA 0.066 4.196 4.120 0.015 0.000 0.276 203 V C 1.266 177.354 176.094 -0.010 0.000 1.040 203 V CA -0.164 62.131 62.300 -0.009 0.000 1.008 203 V CB 0.280 32.108 31.823 0.008 0.000 0.990 203 V HN 0.863 nan 8.190 nan 0.000 0.477 204 I N 1.700 122.253 120.570 -0.027 0.000 3.854 204 I HA 0.508 4.687 4.170 0.015 0.000 0.312 204 I C 0.202 176.426 176.117 0.178 0.000 1.273 204 I CA 0.569 61.875 61.300 0.009 0.000 1.298 204 I CB 0.409 38.338 38.000 -0.119 0.000 1.071 204 I HN 0.457 nan 8.210 nan 0.000 0.428 205 F N 0.991 120.923 119.950 -0.031 0.000 2.703 205 F HA 0.629 5.166 4.527 0.016 0.000 0.308 205 F C -1.773 174.071 175.800 0.073 0.000 1.126 205 F CA -0.886 57.160 58.000 0.077 0.000 0.959 205 F CB 1.981 41.120 39.000 0.232 0.000 1.297 205 F HN -0.261 nan 8.300 nan 0.000 0.441 206 I N 3.652 124.027 120.570 -0.325 0.000 2.468 206 I HA 0.261 4.441 4.170 0.015 0.000 0.285 206 I C -1.295 174.801 176.117 -0.035 0.000 1.039 206 I CA -0.834 60.429 61.300 -0.062 0.000 1.074 206 I CB 1.667 39.610 38.000 -0.095 0.000 1.228 206 I HN 0.357 nan 8.210 nan 0.000 0.436 207 D N 7.676 128.255 120.400 0.298 0.000 2.358 207 D HA 0.342 4.991 4.640 0.015 0.000 0.258 207 D C -0.218 176.225 176.300 0.240 0.000 1.223 207 D CA 0.521 54.740 54.000 0.365 0.000 0.886 207 D CB 1.310 42.349 40.800 0.398 0.000 1.120 207 D HN 0.304 nan 8.370 nan 0.000 0.482 208 I N 4.795 125.469 120.570 0.174 0.000 2.406 208 I HA 0.214 4.393 4.170 0.015 0.000 0.290 208 I C -1.885 174.315 176.117 0.139 0.000 0.999 208 I CA -1.893 59.490 61.300 0.138 0.000 1.124 208 I CB 1.998 40.014 38.000 0.027 0.000 1.289 208 I HN 0.104 nan 8.210 nan 0.000 0.441 209 P HA 0.184 nan 4.420 nan 0.000 0.274 209 P C -0.023 177.336 177.300 0.098 0.000 1.237 209 P CA -0.354 62.834 63.100 0.147 0.000 0.793 209 P CB 1.025 32.845 31.700 0.200 0.000 0.977 210 N N 0.437 119.184 118.700 0.078 0.000 2.120 210 N HA -0.120 4.629 4.740 0.015 0.000 0.188 210 N C 0.927 176.470 175.510 0.056 0.000 1.024 210 N CA 0.881 53.962 53.050 0.051 0.000 0.852 210 N CB 0.144 38.655 38.487 0.039 0.000 1.003 210 N HN 0.413 nan 8.380 nan 0.000 0.424 211 R N 1.904 122.451 120.500 0.077 0.000 2.196 211 R HA 0.112 4.461 4.340 0.015 0.000 0.340 211 R C -0.669 175.680 176.300 0.081 0.000 1.043 211 R CA -0.549 55.594 56.100 0.073 0.000 0.883 211 R CB 0.475 30.826 30.300 0.084 0.000 1.078 211 R HN -0.076 nan 8.270 nan 0.000 0.462 212 R N 3.328 123.863 120.500 0.058 0.000 2.490 212 R HA 0.203 4.552 4.340 0.015 0.000 0.280 212 R C -0.384 175.940 176.300 0.039 0.000 1.077 212 R CA -0.413 55.721 56.100 0.056 0.000 1.065 212 R CB 0.638 30.959 30.300 0.034 0.000 1.003 212 R HN 0.530 nan 8.270 nan 0.000 0.470 213 R N 1.530 122.049 120.500 0.032 0.000 2.483 213 R HA 0.300 4.649 4.340 0.015 0.000 0.303 213 R C -0.339 175.950 176.300 -0.018 0.000 0.987 213 R CA -0.454 55.641 56.100 -0.008 0.000 0.881 213 R CB 1.763 32.033 30.300 -0.049 0.000 1.177 213 R HN 0.363 nan 8.270 nan 0.000 0.451 214 K N 0.977 121.364 120.400 -0.021 0.000 2.168 214 K HA 0.228 4.557 4.320 0.015 0.000 0.258 214 K C 0.046 176.616 176.600 -0.051 0.000 1.010 214 K CA -0.684 55.587 56.287 -0.026 0.000 0.929 214 K CB 1.250 33.732 32.500 -0.029 0.000 0.998 214 K HN 0.206 nan 8.250 nan 0.000 0.479 215 V N 1.994 121.870 119.914 -0.062 0.000 2.720 215 V HA -0.102 4.027 4.120 0.015 0.000 0.307 215 V C 0.347 176.410 176.094 -0.052 0.000 1.071 215 V CA 0.534 62.787 62.300 -0.078 0.000 1.199 215 V CB 1.177 32.895 31.823 -0.177 0.000 0.900 215 V HN 0.858 nan 8.190 nan 0.000 0.494 216 S N 5.022 120.697 115.700 -0.042 0.000 2.552 216 S HA 0.102 4.582 4.470 0.015 0.000 0.289 216 S C 0.870 175.519 174.600 0.082 0.000 1.304 216 S CA 0.152 58.332 58.200 -0.034 0.000 1.063 216 S CB 0.348 63.391 63.200 -0.262 0.000 0.848 216 S HN 0.842 nan 8.310 nan 0.000 0.499 217 K N 2.678 123.062 120.400 -0.026 0.000 2.374 217 K HA 0.114 4.443 4.320 0.015 0.000 0.196 217 K C 0.304 176.889 176.600 -0.025 0.000 1.023 217 K CA -0.094 56.171 56.287 -0.037 0.000 1.103 217 K CB 0.065 32.489 32.500 -0.126 0.000 0.848 217 K HN 0.678 nan 8.250 nan 0.000 0.528 218 H N 1.702 120.870 119.070 0.163 0.000 2.603 218 H HA 0.119 4.685 4.556 0.015 0.000 0.370 218 H C 0.203 175.737 175.328 0.344 0.000 1.225 218 H CA 0.193 56.351 56.048 0.183 0.000 1.410 218 H CB 0.669 30.478 29.762 0.078 0.000 1.495 218 H HN -0.105 nan 8.280 nan 0.000 0.602 219 K N 1.078 121.737 120.400 0.431 0.000 2.380 219 K HA 0.004 4.333 4.320 0.015 0.000 0.267 219 K C -0.126 176.766 176.600 0.486 0.000 0.990 219 K CA 0.007 56.525 56.287 0.385 0.000 0.946 219 K CB 0.210 32.889 32.500 0.298 0.000 0.937 219 K HN 0.458 nan 8.250 nan 0.000 0.491 220 H N 0.023 119.222 119.070 0.215 0.000 2.790 220 H HA 0.121 4.686 4.556 0.015 0.000 0.358 220 H C -0.186 175.131 175.328 -0.018 0.000 1.103 220 H CA 0.283 56.408 56.048 0.130 0.000 1.426 220 H CB 0.735 30.427 29.762 -0.116 0.000 1.424 220 H HN 0.647 nan 8.280 nan 0.000 0.599 221 A N 4.011 126.743 122.820 -0.147 0.000 2.506 221 A HA 0.239 4.568 4.320 0.015 0.000 0.320 221 A C -0.126 177.296 177.584 -0.271 0.000 1.424 221 A CA -0.683 51.133 52.037 -0.368 0.000 1.044 221 A CB -0.478 18.029 19.000 -0.821 0.000 1.140 221 A HN 0.653 nan 8.150 nan 0.000 0.538 222 N N 0.784 119.340 118.700 -0.239 0.000 2.483 222 N HA 0.681 5.430 4.740 0.015 0.000 0.285 222 N C -0.156 175.270 175.510 -0.141 0.000 1.210 222 N CA -0.445 52.349 53.050 -0.428 0.000 0.931 222 N CB 1.224 39.115 38.487 -0.992 0.000 1.220 222 N HN 0.580 nan 8.380 nan 0.000 0.542 223 F N -2.472 117.474 119.950 -0.007 0.000 2.974 223 F HA 0.443 4.979 4.527 0.015 0.000 0.357 223 F C -0.446 175.396 175.800 0.072 0.000 1.114 223 F CA -0.762 57.244 58.000 0.010 0.000 1.099 223 F CB -0.582 38.340 39.000 -0.131 0.000 1.205 223 F HN 0.181 nan 8.300 nan 0.000 0.535 224 Y N 2.760 123.193 120.300 0.221 0.000 2.357 224 Y HA 0.330 4.889 4.550 0.015 0.000 0.340 224 Y C -1.032 174.895 175.900 0.045 0.000 1.260 224 Y CA -1.510 56.666 58.100 0.127 0.000 1.425 224 Y CB 0.127 38.551 38.460 -0.060 0.000 1.326 224 Y HN -0.222 nan 8.280 nan 0.000 0.580 225 P HA -0.283 nan 4.420 nan 0.000 0.216 225 P C 1.110 178.422 177.300 0.019 0.000 1.157 225 P CA 2.747 65.891 63.100 0.073 0.000 0.880 225 P CB 0.108 31.843 31.700 0.059 0.000 0.791 226 K N -0.884 119.473 120.400 -0.072 0.000 2.063 226 K HA -0.222 4.107 4.320 0.015 0.000 0.208 226 K C 1.783 178.320 176.600 -0.105 0.000 1.048 226 K CA 1.805 58.006 56.287 -0.143 0.000 0.928 226 K CB -1.300 31.049 32.500 -0.251 0.000 0.713 226 K HN 0.266 nan 8.250 nan 0.000 0.442 227 H N 0.033 119.123 119.070 0.033 0.000 2.357 227 H HA 0.039 4.604 4.556 0.015 0.000 0.301 227 H C 2.180 177.532 175.328 0.039 0.000 1.082 227 H CA 1.465 57.526 56.048 0.022 0.000 1.342 227 H CB 0.035 29.798 29.762 0.002 0.000 1.389 227 H HN 0.093 nan 8.280 nan 0.000 0.511 228 M N 0.200 119.901 119.600 0.167 0.000 2.175 228 M HA -0.099 4.390 4.480 0.015 0.000 0.264 228 M C 2.328 178.676 176.300 0.081 0.000 1.063 228 M CA 1.214 56.583 55.300 0.116 0.000 1.119 228 M CB -0.670 31.990 32.600 0.099 0.000 1.377 228 M HN 0.305 nan 8.290 nan 0.000 0.415 229 I N 0.223 120.829 120.570 0.060 0.000 2.208 229 I HA -0.314 3.865 4.170 0.015 0.000 0.245 229 I C 2.262 178.409 176.117 0.049 0.000 1.097 229 I CA 1.431 62.756 61.300 0.043 0.000 1.363 229 I CB -0.415 37.599 38.000 0.023 0.000 1.051 229 I HN 0.386 nan 8.210 nan 0.000 0.413 230 E N 0.466 120.702 120.200 0.060 0.000 2.106 230 E HA -0.263 4.096 4.350 0.015 0.000 0.192 230 E C 2.128 178.773 176.600 0.075 0.000 0.984 230 E CA 1.104 57.543 56.400 0.066 0.000 0.806 230 E CB -0.038 29.710 29.700 0.080 0.000 0.750 230 E HN 0.412 nan 8.360 nan 0.000 0.458 231 K N 0.853 121.306 120.400 0.088 0.000 2.067 231 K HA -0.068 4.262 4.320 0.015 0.000 0.203 231 K C 1.878 178.524 176.600 0.077 0.000 1.048 231 K CA 1.271 57.613 56.287 0.092 0.000 0.954 231 K CB 0.445 33.008 32.500 0.106 0.000 0.737 231 K HN 0.128 nan 8.250 nan 0.000 0.444 232 V N -3.760 116.194 119.914 0.068 0.000 3.477 232 V HA 0.490 4.619 4.120 0.015 0.000 0.297 232 V C 0.795 176.916 176.094 0.046 0.000 1.433 232 V CA 0.420 62.754 62.300 0.056 0.000 1.052 232 V CB 0.370 32.226 31.823 0.055 0.000 0.895 232 V HN 0.474 nan 8.190 nan 0.000 0.438 233 G N 0.054 108.881 108.800 0.045 0.000 2.345 233 G HA2 0.185 4.154 3.960 0.015 0.000 0.218 233 G HA3 0.185 4.154 3.960 0.015 0.000 0.218 233 G C 0.340 175.259 174.900 0.031 0.000 1.058 233 G CA -0.021 45.101 45.100 0.036 0.000 0.632 233 G HN 2.068 nan 8.290 nan 0.000 0.508 234 A N 0.020 122.859 122.820 0.031 0.000 2.605 234 A HA 0.745 5.075 4.320 0.015 0.000 0.294 234 A C -0.371 177.230 177.584 0.028 0.000 1.062 234 A CA -0.209 51.843 52.037 0.026 0.000 0.682 234 A CB 0.842 19.854 19.000 0.021 0.000 1.278 234 A HN 0.537 nan 8.150 nan 0.000 0.410 235 M N 1.250 120.865 119.600 0.025 0.000 2.247 235 M HA 0.341 4.830 4.480 0.015 0.000 0.326 235 M C 0.749 177.060 176.300 0.019 0.000 1.134 235 M CA 0.013 55.328 55.300 0.024 0.000 1.136 235 M CB 0.336 32.949 32.600 0.022 0.000 1.454 235 M HN 0.789 nan 8.290 nan 0.000 0.467 236 R N 1.540 122.050 120.500 0.016 0.000 2.734 236 R HA 0.226 4.575 4.340 0.015 0.000 0.266 236 R C -1.898 174.408 176.300 0.010 0.000 1.044 236 R CA -1.086 55.022 56.100 0.012 0.000 1.128 236 R CB -0.532 29.774 30.300 0.010 0.000 1.010 236 R HN 0.440 nan 8.270 nan 0.000 0.461 237 P HA -0.003 nan 4.420 nan 0.000 0.272 237 P C -0.637 176.666 177.300 0.006 0.000 1.223 237 P CA -0.251 62.854 63.100 0.008 0.000 0.784 237 P CB 0.539 32.243 31.700 0.007 0.000 0.923 238 E N 0.904 121.108 120.200 0.006 0.000 2.529 238 E HA 0.244 4.603 4.350 0.015 0.000 0.259 238 E C -0.164 176.438 176.600 0.003 0.000 0.966 238 E CA 0.124 56.527 56.400 0.005 0.000 0.937 238 E CB 0.005 29.708 29.700 0.005 0.000 0.923 238 E HN 0.505 nan 8.360 nan 0.000 0.468 239 A N 5.539 128.360 122.820 0.002 0.000 2.304 239 A HA 0.486 4.815 4.320 0.015 0.000 0.271 239 A C -2.046 175.538 177.584 0.001 0.000 1.091 239 A CA -1.295 50.742 52.037 0.001 0.000 0.812 239 A CB -0.198 18.802 19.000 -0.001 0.000 1.056 239 A HN 0.629 nan 8.150 nan 0.000 0.489 240 P HA 0.239 nan 4.420 nan 0.000 0.266 240 P C -2.275 175.025 177.300 0.001 0.000 1.195 240 P CA -0.538 62.563 63.100 0.001 0.000 0.768 240 P CB -0.255 31.445 31.700 0.001 0.000 0.838 241 P HA 0.248 nan 4.420 nan 0.000 0.272 241 P C -0.694 176.607 177.300 0.001 0.000 1.223 241 P CA 0.180 63.281 63.100 0.002 0.000 0.784 241 P CB 0.769 32.471 31.700 0.003 0.000 0.923 242 I N 2.331 122.902 120.570 0.001 0.000 2.411 242 I HA 0.251 4.430 4.170 0.015 0.000 0.284 242 I C -0.133 175.986 176.117 0.003 0.000 1.012 242 I CA -0.619 60.682 61.300 0.001 0.000 1.119 242 I CB 1.287 39.286 38.000 -0.001 0.000 1.261 242 I HN 0.160 nan 8.210 nan 0.000 0.448 243 N N 5.749 124.452 118.700 0.005 0.000 2.399 243 N HA 0.499 5.248 4.740 0.015 0.000 0.295 243 N C -0.849 174.667 175.510 0.010 0.000 1.048 243 N CA -0.438 52.616 53.050 0.007 0.000 0.886 243 N CB 2.904 41.395 38.487 0.007 0.000 1.185 243 N HN 0.153 nan 8.380 nan 0.000 0.487 244 V N 1.466 121.387 119.914 0.011 0.000 2.409 244 V HA 0.567 4.696 4.120 0.015 0.000 0.291 244 V C 0.076 176.182 176.094 0.020 0.000 1.020 244 V CA -0.575 61.736 62.300 0.018 0.000 0.848 244 V CB 1.316 33.151 31.823 0.019 0.000 0.990 244 V HN 0.852 nan 8.190 nan 0.000 0.430 245 T N 1.849 116.418 114.554 0.025 0.000 2.909 245 T HA 0.637 4.996 4.350 0.015 0.000 0.299 245 T C -0.843 173.874 174.700 0.029 0.000 1.073 245 T CA -0.832 61.282 62.100 0.023 0.000 0.999 245 T CB 2.206 71.084 68.868 0.017 0.000 1.098 245 T HN 0.518 nan 8.240 nan 0.000 0.477 246 Q N 1.921 121.736 119.800 0.025 0.000 2.798 246 Q HA 0.258 4.607 4.340 0.015 0.000 0.250 246 Q C -1.882 174.124 176.000 0.011 0.000 1.006 246 Q CA -1.984 53.833 55.803 0.024 0.000 0.759 246 Q CB 1.735 30.491 28.738 0.030 0.000 1.201 246 Q HN 0.574 nan 8.270 nan 0.000 0.486 247 P HA -0.135 nan 4.420 nan 0.000 0.223 247 P C 0.147 177.447 177.300 0.000 0.000 1.151 247 P CA 1.055 64.158 63.100 0.005 0.000 0.787 247 P CB 0.478 32.183 31.700 0.008 0.000 0.788 248 E N -0.296 119.903 120.200 -0.001 0.000 2.465 248 E HA 0.356 4.715 4.350 0.015 0.000 0.195 248 E C 0.902 177.491 176.600 -0.020 0.000 1.028 248 E CA 0.011 56.407 56.400 -0.007 0.000 0.899 248 E CB 0.140 29.838 29.700 -0.003 0.000 1.032 248 E HN 0.197 nan 8.360 nan 0.000 0.468 249 G N 0.958 109.743 108.800 -0.025 0.000 2.660 249 G HA2 -0.245 3.724 3.960 0.015 0.000 0.215 249 G HA3 -0.245 3.724 3.960 0.015 0.000 0.215 249 G C -0.117 174.740 174.900 -0.071 0.000 1.345 249 G CA -0.470 44.598 45.100 -0.054 0.000 0.877 249 G HN 0.420 nan 8.290 nan 0.000 0.549 250 V N -2.622 117.194 119.914 -0.163 0.000 2.975 250 V HA 0.875 5.004 4.120 0.015 0.000 0.318 250 V C 1.462 177.444 176.094 -0.187 0.000 1.077 250 V CA 0.883 63.047 62.300 -0.228 0.000 1.000 250 V CB 1.502 32.951 31.823 -0.623 0.000 1.066 250 V HN 2.351 nan 8.190 nan 0.000 0.452 251 S N 1.449 117.136 115.700 -0.022 0.000 2.503 251 S HA 0.194 4.673 4.470 0.015 0.000 0.217 251 S C 0.545 175.251 174.600 0.177 0.000 0.999 251 S CA 0.009 58.263 58.200 0.090 0.000 0.914 251 S CB -0.674 62.636 63.200 0.182 0.000 0.782 251 S HN 1.045 nan 8.310 nan 0.000 0.520 252 F N 1.499 121.596 119.950 0.244 0.000 2.371 252 F HA 0.730 5.267 4.527 0.015 0.000 0.329 252 F C -0.119 175.716 175.800 0.058 0.000 1.107 252 F CA -1.257 56.866 58.000 0.205 0.000 1.137 252 F CB 0.719 39.806 39.000 0.144 0.000 1.214 252 F HN -0.071 nan 8.300 nan 0.000 0.536 253 K N 4.202 124.738 120.400 0.228 0.000 2.426 253 K HA 0.427 4.757 4.320 0.015 0.000 0.254 253 K C -1.434 175.210 176.600 0.073 0.000 0.936 253 K CA -0.795 55.547 56.287 0.091 0.000 0.801 253 K CB 1.190 33.709 32.500 0.033 0.000 1.139 253 K HN 0.759 nan 8.250 nan 0.000 0.424 254 M N 2.733 122.362 119.600 0.047 0.000 2.336 254 M HA 0.260 4.749 4.480 0.015 0.000 0.342 254 M C -0.724 175.568 176.300 -0.014 0.000 1.128 254 M CA -0.463 54.804 55.300 -0.055 0.000 1.016 254 M CB 1.752 34.241 32.600 -0.185 0.000 1.665 254 M HN 0.537 nan 8.290 nan 0.000 0.445 255 T N 2.355 116.890 114.554 -0.031 0.000 2.977 255 T HA 0.541 4.900 4.350 0.015 0.000 0.346 255 T C 0.771 175.482 174.700 0.017 0.000 1.140 255 T CA 0.201 62.311 62.100 0.015 0.000 1.040 255 T CB 0.945 69.832 68.868 0.032 0.000 1.046 255 T HN 1.032 nan 8.240 nan 0.000 0.494 256 G N 4.230 113.049 108.800 0.032 0.000 2.596 256 G HA2 -0.342 3.627 3.960 0.015 0.000 0.304 256 G HA3 -0.342 3.627 3.960 0.015 0.000 0.304 256 G C 0.856 175.726 174.900 -0.050 0.000 1.189 256 G CA 0.232 45.350 45.100 0.030 0.000 0.986 256 G HN 0.583 nan 8.290 nan 0.000 0.548 257 N N 0.639 119.271 118.700 -0.112 0.000 2.336 257 N HA 0.159 4.908 4.740 0.015 0.000 0.189 257 N C 0.574 175.829 175.510 -0.424 0.000 1.113 257 N CA 0.679 53.539 53.050 -0.317 0.000 0.858 257 N CB 0.631 38.815 38.487 -0.505 0.000 0.970 257 N HN 0.373 nan 8.380 nan 0.000 0.471 258 V N 2.357 122.123 119.914 -0.246 0.000 2.461 258 V HA 0.177 4.307 4.120 0.015 0.000 0.275 258 V C 0.296 176.204 176.094 -0.311 0.000 1.047 258 V CA -0.440 61.722 62.300 -0.229 0.000 0.955 258 V CB 1.143 32.946 31.823 -0.033 0.000 0.988 258 V HN 0.093 nan 8.190 nan 0.000 0.471 259 M N 5.368 124.638 119.600 -0.549 0.000 2.336 259 M HA 0.520 5.009 4.480 0.015 0.000 0.342 259 M C -0.591 175.423 176.300 -0.476 0.000 1.128 259 M CA 0.044 54.948 55.300 -0.661 0.000 1.016 259 M CB 1.304 33.126 32.600 -1.297 0.000 1.665 259 M HN 0.668 nan 8.290 nan 0.000 0.445 260 E N 3.838 123.927 120.200 -0.184 0.000 2.241 260 E HA 0.493 4.852 4.350 0.015 0.000 0.263 260 E C -2.193 174.510 176.600 0.173 0.000 0.882 260 E CA -0.311 56.076 56.400 -0.021 0.000 0.769 260 E CB 1.790 31.485 29.700 -0.008 0.000 1.185 260 E HN 0.764 nan 8.360 nan 0.000 0.415 261 W N 2.653 123.959 121.300 0.010 0.000 3.615 261 W HA 0.204 4.873 4.660 0.015 0.000 0.319 261 W C -0.318 176.296 176.519 0.157 0.000 1.172 261 W CA -0.437 56.968 57.345 0.099 0.000 1.240 261 W CB 1.461 30.987 29.460 0.110 0.000 1.313 261 W HN 0.463 nan 8.180 nan 0.000 0.487 262 S N 5.085 120.399 115.700 -0.643 0.000 3.559 262 S HA -0.325 4.154 4.470 0.015 0.000 0.369 262 S C 0.835 175.137 174.600 -0.496 0.000 0.987 262 S CA 1.956 59.699 58.200 -0.762 0.000 1.187 262 S CB -1.401 60.889 63.200 -1.516 0.000 0.914 262 S HN 1.081 nan 8.310 nan 0.000 0.480 263 N N -2.399 116.032 118.700 -0.448 0.000 2.951 263 N HA -0.181 4.569 4.740 0.015 0.000 0.213 263 N C -0.114 175.044 175.510 -0.587 0.000 0.877 263 N CA 1.821 54.458 53.050 -0.689 0.000 1.042 263 N CB -1.616 36.090 38.487 -1.300 0.000 1.005 263 N HN 0.584 nan 8.380 nan 0.000 0.604 264 F N 1.693 121.577 119.950 -0.111 0.000 2.429 264 F HA 0.358 4.893 4.527 0.015 0.000 0.348 264 F C 1.038 176.914 175.800 0.127 0.000 1.109 264 F CA 0.313 58.418 58.000 0.175 0.000 1.232 264 F CB 0.753 40.026 39.000 0.456 0.000 1.157 264 F HN -0.143 nan 8.300 nan 0.000 0.564 265 K N 4.226 124.860 120.400 0.390 0.000 2.427 265 K HA 0.663 4.992 4.320 0.015 0.000 0.252 265 K C -1.659 175.147 176.600 0.342 0.000 0.931 265 K CA -0.518 55.885 56.287 0.193 0.000 0.793 265 K CB 1.517 34.083 32.500 0.111 0.000 1.211 265 K HN 0.522 nan 8.250 nan 0.000 0.426 266 F N -0.519 119.451 119.950 0.034 0.000 2.773 266 F HA 0.375 4.912 4.527 0.015 0.000 0.314 266 F C -1.568 174.226 175.800 -0.010 0.000 1.160 266 F CA -1.192 56.826 58.000 0.030 0.000 0.920 266 F CB 0.930 39.923 39.000 -0.010 0.000 1.323 266 F HN 0.442 nan 8.300 nan 0.000 0.457 267 H N 2.349 121.481 119.070 0.104 0.000 2.467 267 H HA 0.550 5.116 4.556 0.015 0.000 0.326 267 H C -1.145 174.181 175.328 -0.003 0.000 1.094 267 H CA -0.623 55.366 56.048 -0.099 0.000 1.253 267 H CB 1.560 31.183 29.762 -0.231 0.000 1.439 267 H HN 0.730 nan 8.280 nan 0.000 0.479 268 I N 5.528 125.791 120.570 -0.511 0.000 2.287 268 I HA 0.211 4.390 4.170 0.015 0.000 0.290 268 I C 1.029 176.946 176.117 -0.333 0.000 1.069 268 I CA -0.336 60.805 61.300 -0.266 0.000 1.237 268 I CB 0.895 38.776 38.000 -0.198 0.000 1.418 268 I HN 0.530 nan 8.210 nan 0.000 0.481 269 G N 5.145 113.931 108.800 -0.025 0.000 2.531 269 G HA2 0.680 4.649 3.960 0.015 0.000 0.313 269 G HA3 0.680 4.649 3.960 0.015 0.000 0.313 269 G C -1.465 173.554 174.900 0.199 0.000 1.238 269 G CA -0.315 44.872 45.100 0.145 0.000 0.994 269 G HN 0.402 nan 8.290 nan 0.000 0.493 270 F N 0.513 120.490 119.950 0.045 0.000 2.654 270 F HA 0.444 4.980 4.527 0.016 0.000 0.314 270 F C -1.004 174.867 175.800 0.118 0.000 1.116 270 F CA -0.932 57.103 58.000 0.057 0.000 1.017 270 F CB 2.015 41.045 39.000 0.050 0.000 1.285 270 F HN 0.803 nan 8.300 nan 0.000 0.448 271 N N 2.088 120.649 118.700 -0.231 0.000 2.697 271 N HA 0.248 4.997 4.740 0.015 0.000 0.272 271 N C 0.155 175.581 175.510 -0.140 0.000 1.381 271 N CA -0.503 52.572 53.050 0.041 0.000 0.797 271 N CB 0.326 38.873 38.487 0.100 0.000 1.523 271 N HN 0.526 nan 8.380 nan 0.000 0.518 272 Y N -1.380 118.817 120.300 -0.172 0.000 2.315 272 Y HA 0.052 4.612 4.550 0.015 0.000 0.288 272 Y C 2.042 177.486 175.900 -0.760 0.000 1.154 272 Y CA 1.314 58.939 58.100 -0.792 0.000 1.229 272 Y CB -0.326 37.352 38.460 -1.303 0.000 0.980 272 Y HN 0.646 nan 8.280 nan 0.000 0.540 273 R N 0.203 119.889 120.500 -1.357 0.000 2.076 273 R HA 0.115 4.464 4.340 0.015 0.000 0.203 273 R C 1.951 177.827 176.300 -0.708 0.000 1.229 273 R CA 0.853 56.203 56.100 -1.249 0.000 1.094 273 R CB 0.035 29.351 30.300 -1.641 0.000 0.991 273 R HN 0.346 nan 8.270 nan 0.000 0.471 274 E N -0.141 119.742 120.200 -0.528 0.000 2.371 274 E HA 0.125 4.485 4.350 0.015 0.000 0.194 274 E C 0.825 177.218 176.600 -0.346 0.000 1.012 274 E CA 0.444 56.659 56.400 -0.307 0.000 0.860 274 E CB 0.431 30.039 29.700 -0.153 0.000 0.811 274 E HN 0.567 nan 8.360 nan 0.000 0.502 275 G N 1.809 110.237 108.800 -0.620 0.000 2.536 275 G HA2 -0.348 3.621 3.960 0.015 0.000 0.280 275 G HA3 -0.348 3.621 3.960 0.015 0.000 0.280 275 G C 0.109 174.490 174.900 -0.864 0.000 1.152 275 G CA -0.124 44.383 45.100 -0.988 0.000 0.970 275 G HN 0.194 nan 8.290 nan 0.000 0.549 276 I N 1.252 121.695 120.570 -0.211 0.000 2.618 276 I HA 0.344 4.524 4.170 0.015 0.000 0.284 276 I C 0.316 176.306 176.117 -0.211 0.000 1.146 276 I CA 0.075 61.376 61.300 0.001 0.000 1.425 276 I CB 0.909 38.983 38.000 0.125 0.000 1.383 276 I HN 0.334 nan 8.210 nan 0.000 0.562 277 V N 7.959 127.759 119.914 -0.190 0.000 2.443 277 V HA 0.362 4.492 4.120 0.015 0.000 0.293 277 V C -0.090 175.861 176.094 -0.240 0.000 1.021 277 V CA -0.595 61.553 62.300 -0.253 0.000 0.848 277 V CB 1.600 33.333 31.823 -0.149 0.000 0.998 277 V HN 0.440 nan 8.190 nan 0.000 0.424 278 L N 4.147 125.136 121.223 -0.389 0.000 2.264 278 L HA 0.640 4.989 4.340 0.015 0.000 0.289 278 L C 0.211 176.986 176.870 -0.157 0.000 1.044 278 L CA 0.154 54.847 54.840 -0.245 0.000 0.807 278 L CB 1.529 43.348 42.059 -0.401 0.000 1.192 278 L HN 0.611 nan 8.230 nan 0.000 0.425 279 S N 0.917 116.607 115.700 -0.018 0.000 2.599 279 S HA 0.321 4.800 4.470 0.015 0.000 0.294 279 S C -0.415 174.204 174.600 0.032 0.000 1.094 279 S CA -0.518 57.614 58.200 -0.114 0.000 0.931 279 S CB 1.764 64.814 63.200 -0.250 0.000 1.093 279 S HN 0.760 nan 8.310 nan 0.000 0.488 280 D N 0.936 121.316 120.400 -0.034 0.000 2.705 280 D HA -0.145 4.505 4.640 0.015 0.000 0.240 280 D C -0.731 175.720 176.300 0.253 0.000 1.137 280 D CA 0.362 54.462 54.000 0.167 0.000 0.677 280 D CB -1.252 39.715 40.800 0.279 0.000 1.049 280 D HN 0.226 nan 8.370 nan 0.000 0.427 281 V N 1.167 121.220 119.914 0.232 0.000 2.432 281 V HA 0.582 4.712 4.120 0.015 0.000 0.271 281 V C 0.921 177.160 176.094 0.241 0.000 1.046 281 V CA 0.288 62.763 62.300 0.292 0.000 0.945 281 V CB 1.426 33.397 31.823 0.247 0.000 0.992 281 V HN 0.478 nan 8.190 nan 0.000 0.471 282 S N 4.443 120.333 115.700 0.317 0.000 2.632 282 S HA 0.784 5.263 4.470 0.015 0.000 0.289 282 S C -1.324 173.479 174.600 0.339 0.000 1.115 282 S CA -0.802 57.556 58.200 0.264 0.000 0.889 282 S CB 2.075 65.396 63.200 0.202 0.000 1.116 282 S HN 0.587 nan 8.310 nan 0.000 0.486 283 Y N 1.634 122.013 120.300 0.132 0.000 2.361 283 Y HA 0.517 5.076 4.550 0.015 0.000 0.337 283 Y C -0.605 175.333 175.900 0.065 0.000 0.965 283 Y CA -0.811 57.308 58.100 0.031 0.000 1.091 283 Y CB 1.572 40.034 38.460 0.004 0.000 1.182 283 Y HN 0.855 nan 8.280 nan 0.000 0.450 284 N N 4.797 123.303 118.700 -0.324 0.000 2.448 284 N HA 0.031 4.780 4.740 0.015 0.000 0.250 284 N C -1.213 174.239 175.510 -0.098 0.000 1.136 284 N CA 0.068 53.022 53.050 -0.161 0.000 0.953 284 N CB 0.239 38.594 38.487 -0.220 0.000 1.251 284 N HN 0.675 nan 8.380 nan 0.000 0.502 285 D N 2.664 123.202 120.400 0.230 0.000 2.522 285 D HA 0.093 4.742 4.640 0.015 0.000 0.218 285 D C -0.416 176.000 176.300 0.193 0.000 1.149 285 D CA -0.166 54.045 54.000 0.353 0.000 0.981 285 D CB -0.706 40.393 40.800 0.498 0.000 1.041 285 D HN 0.560 nan 8.370 nan 0.000 0.518 286 H N 1.744 120.872 119.070 0.097 0.000 2.527 286 H HA -0.195 4.370 4.556 0.015 0.000 0.321 286 H C 1.458 176.802 175.328 0.026 0.000 1.092 286 H CA 1.143 57.215 56.048 0.040 0.000 1.118 286 H CB -1.021 28.765 29.762 0.041 0.000 1.536 286 H HN 0.680 nan 8.280 nan 0.000 0.407 287 G N -0.722 108.117 108.800 0.065 0.000 2.254 287 G HA2 -0.297 3.672 3.960 0.015 0.000 0.225 287 G HA3 -0.297 3.672 3.960 0.015 0.000 0.225 287 G C 0.141 175.065 174.900 0.040 0.000 1.003 287 G CA -0.113 45.013 45.100 0.043 0.000 0.622 287 G HN 0.504 nan 8.290 nan 0.000 0.507 288 N N 1.506 120.245 118.700 0.065 0.000 2.439 288 N HA 0.383 5.132 4.740 0.015 0.000 0.243 288 N C -0.010 175.545 175.510 0.076 0.000 1.088 288 N CA 0.119 53.203 53.050 0.057 0.000 0.940 288 N CB 1.880 40.401 38.487 0.056 0.000 1.180 288 N HN 0.165 nan 8.380 nan 0.000 0.505 289 V N 4.012 123.959 119.914 0.055 0.000 2.387 289 V HA 0.167 4.296 4.120 0.015 0.000 0.260 289 V C 0.725 176.876 176.094 0.095 0.000 1.054 289 V CA -0.279 62.064 62.300 0.073 0.000 0.967 289 V CB -0.261 31.589 31.823 0.045 0.000 1.036 289 V HN 0.384 nan 8.190 nan 0.000 0.481 290 R N 5.777 126.372 120.500 0.158 0.000 2.343 290 R HA 0.433 4.782 4.340 0.015 0.000 0.320 290 R C -2.744 173.682 176.300 0.210 0.000 0.956 290 R CA -1.864 54.337 56.100 0.167 0.000 0.836 290 R CB 1.636 32.050 30.300 0.191 0.000 1.151 290 R HN 0.403 nan 8.270 nan 0.000 0.450 291 P HA 0.059 nan 4.420 nan 0.000 0.269 291 P C -0.067 177.271 177.300 0.064 0.000 1.209 291 P CA 0.232 63.403 63.100 0.117 0.000 0.776 291 P CB 0.812 32.569 31.700 0.096 0.000 0.876 292 I N -0.131 120.375 120.570 -0.107 0.000 3.650 292 I HA 0.203 4.382 4.170 0.015 0.000 0.261 292 I C -0.066 175.691 176.117 -0.600 0.000 1.154 292 I CA 0.461 61.432 61.300 -0.547 0.000 1.418 292 I CB 0.232 37.640 38.000 -0.988 0.000 1.539 292 I HN 0.124 nan 8.210 nan 0.000 0.449 293 F N -0.444 119.458 119.950 -0.081 0.000 2.565 293 F HA 0.331 4.867 4.527 0.014 0.000 0.313 293 F C 0.787 176.591 175.800 0.006 0.000 1.091 293 F CA -1.130 56.825 58.000 -0.074 0.000 0.915 293 F CB 0.971 39.881 39.000 -0.150 0.000 1.208 293 F HN -0.082 nan 8.300 nan 0.000 0.453 294 H N 1.420 120.564 119.070 0.124 0.000 2.403 294 H HA 0.253 4.818 4.556 0.016 0.000 0.298 294 H C 0.260 175.576 175.328 -0.020 0.000 1.059 294 H CA 1.499 57.565 56.048 0.029 0.000 1.363 294 H CB 0.448 30.183 29.762 -0.044 0.000 1.410 294 H HN 0.541 nan 8.280 nan 0.000 0.528 295 R N -0.054 120.380 120.500 -0.111 0.000 2.579 295 R HA 0.395 4.745 4.340 0.015 0.000 0.260 295 R C -2.110 174.031 176.300 -0.265 0.000 1.103 295 R CA -0.622 55.334 56.100 -0.241 0.000 0.942 295 R CB 1.319 31.466 30.300 -0.255 0.000 1.251 295 R HN 0.257 nan 8.270 nan 0.000 0.450 296 I N 2.568 122.932 120.570 -0.342 0.000 2.656 296 I HA 0.602 4.781 4.170 0.015 0.000 0.292 296 I C -1.522 174.306 176.117 -0.481 0.000 1.144 296 I CA -0.116 60.928 61.300 -0.427 0.000 1.038 296 I CB 2.127 39.800 38.000 -0.545 0.000 1.244 296 I HN 0.909 nan 8.210 nan 0.000 0.420 297 S N 6.199 121.731 115.700 -0.280 0.000 2.636 297 S HA 0.527 5.006 4.470 0.015 0.000 0.266 297 S C -1.604 173.101 174.600 0.176 0.000 1.147 297 S CA -1.049 57.065 58.200 -0.143 0.000 0.815 297 S CB 1.111 64.210 63.200 -0.167 0.000 1.119 297 S HN 0.589 nan 8.310 nan 0.000 0.470 298 L N 2.712 124.106 121.223 0.286 0.000 2.276 298 L HA 0.481 4.830 4.340 0.015 0.000 0.286 298 L C 1.321 178.243 176.870 0.087 0.000 1.061 298 L CA -0.124 54.843 54.840 0.213 0.000 0.807 298 L CB 1.616 43.828 42.059 0.256 0.000 1.177 298 L HN 1.029 nan 8.230 nan 0.000 0.429 299 S N 0.712 116.445 115.700 0.055 0.000 2.502 299 S HA 0.213 4.692 4.470 0.015 0.000 0.215 299 S C 0.299 174.907 174.600 0.014 0.000 1.009 299 S CA -0.193 58.067 58.200 0.100 0.000 0.908 299 S CB 0.503 63.813 63.200 0.183 0.000 0.801 299 S HN 0.650 nan 8.310 nan 0.000 0.505 300 E N -0.607 119.494 120.200 -0.166 0.000 2.403 300 E HA 0.635 4.994 4.350 0.015 0.000 0.280 300 E C -1.796 174.653 176.600 -0.252 0.000 1.101 300 E CA -0.382 55.869 56.400 -0.248 0.000 0.856 300 E CB 1.195 30.660 29.700 -0.391 0.000 1.303 300 E HN 0.327 nan 8.360 nan 0.000 0.441 301 M N 1.731 121.297 119.600 -0.056 0.000 2.631 301 M HA 0.660 5.150 4.480 0.015 0.000 0.288 301 M C -1.119 175.331 176.300 0.251 0.000 1.260 301 M CA -0.973 54.330 55.300 0.004 0.000 0.842 301 M CB 2.473 34.951 32.600 -0.203 0.000 1.743 301 M HN 0.594 nan 8.290 nan 0.000 0.461 302 I N 0.575 121.247 120.570 0.170 0.000 2.752 302 I HA 0.491 4.671 4.170 0.015 0.000 0.295 302 I C -1.586 174.510 176.117 -0.035 0.000 1.219 302 I CA -0.674 60.672 61.300 0.076 0.000 1.030 302 I CB 2.137 40.154 38.000 0.028 0.000 1.259 302 I HN 0.421 nan 8.210 nan 0.000 0.423 303 V N 8.164 128.091 119.914 0.022 0.000 2.271 303 V HA 0.337 4.466 4.120 0.015 0.000 0.259 303 V C -2.340 173.796 176.094 0.069 0.000 1.030 303 V CA -1.222 61.070 62.300 -0.014 0.000 0.957 303 V CB 0.561 32.415 31.823 0.052 0.000 1.186 303 V HN 0.517 nan 8.190 nan 0.000 0.471 304 P HA 0.248 nan 4.420 nan 0.000 0.282 304 P C -0.810 176.480 177.300 -0.017 0.000 1.274 304 P CA -0.123 63.015 63.100 0.064 0.000 0.770 304 P CB 0.691 32.360 31.700 -0.051 0.000 0.867 305 Y N 1.397 121.739 120.300 0.071 0.000 2.301 305 Y HA 0.405 4.964 4.550 0.015 0.000 0.328 305 Y C 2.002 177.880 175.900 -0.037 0.000 1.242 305 Y CA 0.685 58.816 58.100 0.051 0.000 1.323 305 Y CB 0.658 39.151 38.460 0.056 0.000 1.266 305 Y HN 0.490 nan 8.280 nan 0.000 0.527 306 G N 0.137 108.970 108.800 0.055 0.000 3.453 306 G HA2 0.038 4.008 3.960 0.015 0.000 0.263 306 G HA3 0.038 4.008 3.960 0.015 0.000 0.263 306 G C -0.150 174.659 174.900 -0.151 0.000 1.060 306 G CA -0.152 44.926 45.100 -0.036 0.000 0.793 306 G HN 0.466 nan 8.290 nan 0.000 0.532 307 S N 1.484 117.035 115.700 -0.247 0.000 2.489 307 S HA 0.437 4.916 4.470 0.015 0.000 0.277 307 S C -0.784 173.534 174.600 -0.469 0.000 1.230 307 S CA -1.351 56.553 58.200 -0.492 0.000 1.053 307 S CB 1.792 64.533 63.200 -0.766 0.000 0.955 307 S HN 0.078 nan 8.310 nan 0.000 0.488 308 P HA 0.059 nan 4.420 nan 0.000 0.236 308 P C -0.244 176.925 177.300 -0.218 0.000 1.177 308 P CA 0.289 63.132 63.100 -0.429 0.000 0.773 308 P CB 0.094 31.471 31.700 -0.538 0.000 0.878 309 E N 0.011 120.119 120.200 -0.152 0.000 2.373 309 E HA 0.126 4.485 4.350 0.015 0.000 0.267 309 E C -0.374 176.160 176.600 -0.110 0.000 1.032 309 E CA -0.677 55.710 56.400 -0.023 0.000 0.889 309 E CB 0.357 30.116 29.700 0.098 0.000 0.984 309 E HN 0.050 nan 8.360 nan 0.000 0.425 310 F N 4.546 124.366 119.950 -0.217 0.000 2.518 310 F HA 0.105 4.641 4.527 0.015 0.000 0.359 310 F C -1.381 174.118 175.800 -0.501 0.000 1.118 310 F CA -1.677 56.157 58.000 -0.276 0.000 1.287 310 F CB 0.867 39.774 39.000 -0.155 0.000 1.132 310 F HN 0.318 nan 8.300 nan 0.000 0.587 311 P HA 0.078 nan 4.420 nan 0.000 0.254 311 P C 0.200 177.023 177.300 -0.795 0.000 1.620 311 P CA 0.253 62.547 63.100 -1.343 0.000 1.050 311 P CB -0.138 30.931 31.700 -1.052 0.000 1.539 312 H N 0.811 119.622 119.070 -0.433 0.000 2.545 312 H HA -0.068 4.498 4.556 0.015 0.000 0.282 312 H C 2.090 177.278 175.328 -0.234 0.000 1.020 312 H CA 0.893 56.732 56.048 -0.348 0.000 1.243 312 H CB -0.199 29.348 29.762 -0.359 0.000 1.377 312 H HN 0.407 nan 8.280 nan 0.000 0.581 313 Q N 1.701 121.407 119.800 -0.156 0.000 2.291 313 Q HA -0.137 4.212 4.340 0.015 0.000 0.206 313 Q C 1.345 177.406 176.000 0.102 0.000 0.976 313 Q CA 0.943 56.717 55.803 -0.048 0.000 0.875 313 Q CB -0.296 28.394 28.738 -0.080 0.000 0.927 313 Q HN 0.396 nan 8.270 nan 0.000 0.450 314 R N 0.873 121.352 120.500 -0.034 0.000 2.319 314 R HA 0.157 4.506 4.340 0.015 0.000 0.204 314 R C 0.118 176.399 176.300 -0.031 0.000 0.954 314 R CA 0.125 56.219 56.100 -0.010 0.000 1.066 314 R CB 0.237 30.460 30.300 -0.129 0.000 0.991 314 R HN 0.156 nan 8.270 nan 0.000 0.486 315 K N 2.074 122.504 120.400 0.050 0.000 2.244 315 K HA 0.088 4.417 4.320 0.015 0.000 0.263 315 K C -0.339 176.518 176.600 0.428 0.000 1.103 315 K CA -0.098 56.268 56.287 0.132 0.000 0.966 315 K CB 0.435 32.786 32.500 -0.248 0.000 1.429 315 K HN 0.300 nan 8.250 nan 0.000 0.434 316 H N 0.150 119.426 119.070 0.344 0.000 3.080 316 H HA 0.213 4.778 4.556 0.015 0.000 0.211 316 H C -0.735 174.707 175.328 0.190 0.000 1.359 316 H CA -0.717 55.473 56.048 0.236 0.000 1.322 316 H CB -0.453 29.367 29.762 0.097 0.000 2.164 316 H HN 0.349 nan 8.280 nan 0.000 0.526 317 A N 1.991 124.931 122.820 0.200 0.000 2.546 317 A HA 0.299 4.628 4.320 0.015 0.000 0.243 317 A C 0.176 177.783 177.584 0.037 0.000 1.063 317 A CA -0.222 51.841 52.037 0.044 0.000 0.757 317 A CB 0.090 19.062 19.000 -0.046 0.000 0.991 317 A HN 0.488 nan 8.150 nan 0.000 0.503 318 L N 3.549 124.759 121.223 -0.022 0.000 2.353 318 L HA 0.218 4.567 4.340 0.015 0.000 0.269 318 L C 0.659 177.471 176.870 -0.097 0.000 1.085 318 L CA -0.024 54.818 54.840 0.004 0.000 0.938 318 L CB 0.694 42.794 42.059 0.068 0.000 1.312 318 L HN 0.728 nan 8.230 nan 0.000 0.429 319 D N 1.453 121.816 120.400 -0.062 0.000 2.144 319 D HA -0.168 4.481 4.640 0.015 0.000 0.199 319 D C 2.046 178.259 176.300 -0.144 0.000 0.984 319 D CA 1.531 55.521 54.000 -0.016 0.000 0.834 319 D CB 0.366 41.198 40.800 0.052 0.000 0.955 319 D HN 0.491 nan 8.370 nan 0.000 0.465 320 I N 0.890 121.339 120.570 -0.203 0.000 2.142 320 I HA -0.171 4.008 4.170 0.015 0.000 0.240 320 I C 2.543 178.460 176.117 -0.332 0.000 1.078 320 I CA 1.480 62.602 61.300 -0.297 0.000 1.343 320 I CB -0.350 37.501 38.000 -0.248 0.000 1.046 320 I HN 0.010 nan 8.210 nan 0.000 0.405 321 G N -0.332 108.308 108.800 -0.266 0.000 2.511 321 G HA2 -0.112 3.857 3.960 0.015 0.000 0.217 321 G HA3 -0.112 3.857 3.960 0.015 0.000 0.217 321 G C 1.449 176.217 174.900 -0.221 0.000 1.133 321 G CA 0.235 45.172 45.100 -0.271 0.000 0.792 321 G HN 0.411 nan 8.290 nan 0.000 0.539 322 E N -1.354 118.669 120.200 -0.295 0.000 2.389 322 E HA 0.125 4.484 4.350 0.015 0.000 0.199 322 E C 0.992 177.258 176.600 -0.558 0.000 0.978 322 E CA 0.329 56.459 56.400 -0.450 0.000 0.912 322 E CB 0.318 29.633 29.700 -0.642 0.000 0.907 322 E HN 0.582 nan 8.360 nan 0.000 0.494 323 Y N -0.425 119.833 120.300 -0.070 0.000 2.640 323 Y HA 0.348 4.907 4.550 0.015 0.000 0.274 323 Y C 0.814 176.697 175.900 -0.029 0.000 1.164 323 Y CA 0.217 58.297 58.100 -0.033 0.000 1.189 323 Y CB 0.972 39.388 38.460 -0.075 0.000 1.333 323 Y HN -0.038 nan 8.280 nan 0.000 0.494 324 G N 0.724 109.471 108.800 -0.089 0.000 3.338 324 G HA2 0.153 4.122 3.960 0.015 0.000 0.686 324 G HA3 0.153 4.122 3.960 0.015 0.000 0.686 324 G C 0.582 175.221 174.900 -0.435 0.000 1.053 324 G CA -0.292 44.606 45.100 -0.337 0.000 0.852 324 G HN 0.638 nan 8.290 nan 0.000 0.545 325 A N 1.301 123.741 122.820 -0.634 0.000 2.067 325 A HA 0.354 4.683 4.320 0.015 0.000 0.219 325 A C 2.575 179.956 177.584 -0.340 0.000 1.158 325 A CA 2.406 53.955 52.037 -0.813 0.000 0.661 325 A CB -0.363 18.231 19.000 -0.676 0.000 0.801 325 A HN 2.161 nan 8.150 nan 0.000 0.452 326 G N -1.445 107.156 108.800 -0.331 0.000 2.404 326 G HA2 -0.085 3.884 3.960 0.015 0.000 0.213 326 G HA3 -0.085 3.884 3.960 0.015 0.000 0.213 326 G C 1.397 176.421 174.900 0.208 0.000 1.189 326 G CA 0.862 45.981 45.100 0.033 0.000 0.796 326 G HN 0.401 nan 8.290 nan 0.000 0.532 327 Y N 0.772 120.913 120.300 -0.265 0.000 2.151 327 Y HA -0.020 4.539 4.550 0.016 0.000 0.284 327 Y C 2.867 178.779 175.900 0.020 0.000 1.166 327 Y CA 0.746 58.696 58.100 -0.250 0.000 1.163 327 Y CB -0.428 37.897 38.460 -0.225 0.000 0.974 327 Y HN 0.138 nan 8.280 nan 0.000 0.511 328 M N -1.049 118.654 119.600 0.172 0.000 2.618 328 M HA -0.008 4.481 4.480 0.015 0.000 0.240 328 M C 0.773 177.251 176.300 0.296 0.000 1.123 328 M CA 0.303 55.715 55.300 0.186 0.000 1.060 328 M CB -0.117 32.561 32.600 0.131 0.000 1.535 328 M HN -0.088 nan 8.290 nan 0.000 0.507 329 T N 1.749 116.509 114.554 0.343 0.000 2.919 329 T HA 0.142 4.501 4.350 0.015 0.000 0.302 329 T C 0.072 174.942 174.700 0.284 0.000 1.031 329 T CA -0.126 62.209 62.100 0.390 0.000 1.127 329 T CB 0.255 69.423 68.868 0.500 0.000 0.952 329 T HN 0.361 nan 8.240 nan 0.000 0.540 330 N N 4.939 123.778 118.700 0.232 0.000 2.514 330 N HA 0.253 5.002 4.740 0.015 0.000 0.277 330 N C -2.639 172.935 175.510 0.107 0.000 1.126 330 N CA -1.512 51.628 53.050 0.150 0.000 0.978 330 N CB 0.919 39.477 38.487 0.118 0.000 1.106 330 N HN 0.402 nan 8.380 nan 0.000 0.461 331 P HA 0.022 nan 4.420 nan 0.000 0.267 331 P C 0.069 177.374 177.300 0.009 0.000 1.209 331 P CA 0.190 63.295 63.100 0.009 0.000 0.763 331 P CB 0.667 32.360 31.700 -0.011 0.000 0.816 332 L N 1.600 122.821 121.223 -0.003 0.000 2.513 332 L HA -0.015 4.334 4.340 0.015 0.000 0.222 332 L C 2.346 179.221 176.870 0.009 0.000 1.096 332 L CA 0.616 55.489 54.840 0.054 0.000 0.857 332 L CB -0.446 41.720 42.059 0.179 0.000 1.026 332 L HN 0.392 nan 8.230 nan 0.000 0.469 333 S N 0.930 116.537 115.700 -0.155 0.000 2.365 333 S HA -0.220 4.259 4.470 0.015 0.000 0.221 333 S C 2.008 176.577 174.600 -0.053 0.000 1.037 333 S CA 1.582 59.666 58.200 -0.194 0.000 1.060 333 S CB -0.278 62.730 63.200 -0.321 0.000 0.974 333 S HN 0.322 nan 8.310 nan 0.000 0.427 334 L N 0.557 121.754 121.223 -0.044 0.000 2.129 334 L HA -0.099 4.250 4.340 0.015 0.000 0.212 334 L C 2.399 179.276 176.870 0.012 0.000 1.087 334 L CA 1.347 56.180 54.840 -0.012 0.000 0.757 334 L CB -0.559 41.498 42.059 -0.004 0.000 0.896 334 L HN 0.549 nan 8.230 nan 0.000 0.434 335 G N -2.779 106.034 108.800 0.022 0.000 3.088 335 G HA2 0.030 3.999 3.960 0.015 0.000 0.217 335 G HA3 0.030 3.999 3.960 0.015 0.000 0.217 335 G C 0.800 175.718 174.900 0.030 0.000 1.159 335 G CA 0.477 45.594 45.100 0.029 0.000 0.760 335 G HN 0.560 nan 8.290 nan 0.000 0.550 336 C N -0.026 119.296 119.300 0.037 0.000 4.497 336 C HA -0.170 4.300 4.460 0.015 0.000 0.292 336 C C 1.232 176.246 174.990 0.039 0.000 1.366 336 C CA -0.175 58.864 59.018 0.035 0.000 1.987 336 C CB -2.646 25.106 27.740 0.020 0.000 1.241 336 C HN 0.565 nan 8.230 nan 0.000 0.788 337 D N -0.064 120.373 120.400 0.061 0.000 2.178 337 D HA 0.058 4.708 4.640 0.015 0.000 0.202 337 D C 0.737 177.086 176.300 0.082 0.000 0.974 337 D CA 1.516 55.561 54.000 0.075 0.000 0.841 337 D CB 0.093 40.947 40.800 0.090 0.000 0.953 337 D HN 0.746 nan 8.370 nan 0.000 0.478 338 C N 1.419 120.753 119.300 0.056 0.000 2.316 338 C HA 0.421 4.890 4.460 0.015 0.000 0.324 338 C C -0.043 174.864 174.990 -0.137 0.000 1.226 338 C CA -1.600 57.392 59.018 -0.044 0.000 1.450 338 C CB 0.312 28.027 27.740 -0.041 0.000 2.123 338 C HN 0.101 nan 8.230 nan 0.000 0.454 339 K N 2.425 122.711 120.400 -0.190 0.000 2.172 339 K HA 0.653 4.983 4.320 0.015 0.000 0.276 339 K C 0.643 177.101 176.600 -0.236 0.000 1.013 339 K CA 0.831 57.030 56.287 -0.146 0.000 0.913 339 K CB 0.755 33.215 32.500 -0.068 0.000 1.055 339 K HN 1.120 nan 8.250 nan 0.000 0.461 340 G N 0.945 109.671 108.800 -0.124 0.000 2.342 340 G HA2 -0.153 3.816 3.960 0.015 0.000 0.220 340 G HA3 -0.153 3.816 3.960 0.015 0.000 0.220 340 G C -1.421 173.454 174.900 -0.043 0.000 1.243 340 G CA -0.644 44.415 45.100 -0.068 0.000 1.083 340 G HN 0.467 nan 8.290 nan 0.000 0.500 341 V N 1.826 121.752 119.914 0.020 0.000 2.368 341 V HA 0.506 4.635 4.120 0.015 0.000 0.266 341 V C 0.256 176.394 176.094 0.072 0.000 1.045 341 V CA -0.471 61.855 62.300 0.043 0.000 0.899 341 V CB 0.829 32.686 31.823 0.056 0.000 1.006 341 V HN 0.567 nan 8.190 nan 0.000 0.470 342 I N 4.127 124.694 120.570 -0.006 0.000 2.441 342 I HA 0.410 4.589 4.170 0.015 0.000 0.295 342 I C -0.192 175.872 176.117 -0.088 0.000 0.994 342 I CA -0.615 60.609 61.300 -0.127 0.000 1.144 342 I CB 1.529 39.234 38.000 -0.493 0.000 1.314 342 I HN 0.657 nan 8.210 nan 0.000 0.445 343 H N 5.480 124.494 119.070 -0.093 0.000 2.519 343 H HA 0.478 5.043 4.556 0.015 0.000 0.316 343 H C -1.445 173.767 175.328 -0.193 0.000 1.065 343 H CA -0.238 55.792 56.048 -0.029 0.000 1.264 343 H CB 0.841 30.709 29.762 0.178 0.000 1.413 343 H HN 0.377 nan 8.280 nan 0.000 0.465 344 Y N 4.234 124.577 120.300 0.072 0.000 2.387 344 Y HA 0.360 4.919 4.550 0.015 0.000 0.330 344 Y C -0.369 175.573 175.900 0.068 0.000 1.133 344 Y CA -0.783 57.351 58.100 0.057 0.000 1.152 344 Y CB 1.294 39.740 38.460 -0.023 0.000 1.215 344 Y HN 0.439 nan 8.280 nan 0.000 0.466 345 L N 2.522 123.854 121.223 0.181 0.000 2.354 345 L HA 0.503 4.852 4.340 0.015 0.000 0.269 345 L C -0.872 175.935 176.870 -0.105 0.000 1.005 345 L CA -1.122 53.738 54.840 0.034 0.000 0.819 345 L CB 1.625 43.667 42.059 -0.027 0.000 1.311 345 L HN 0.530 nan 8.230 nan 0.000 0.423 346 D N 0.992 121.290 120.400 -0.170 0.000 2.340 346 D HA 0.635 5.284 4.640 0.015 0.000 0.251 346 D C -0.366 175.601 176.300 -0.555 0.000 1.080 346 D CA -0.167 53.629 54.000 -0.340 0.000 0.971 346 D CB 2.047 42.653 40.800 -0.324 0.000 1.137 346 D HN 0.583 nan 8.370 nan 0.000 0.475 347 A N 1.065 123.453 122.820 -0.719 0.000 2.355 347 A HA 0.603 4.932 4.320 0.015 0.000 0.324 347 A C -0.953 175.993 177.584 -1.064 0.000 1.117 347 A CA -0.659 50.907 52.037 -0.785 0.000 0.785 347 A CB 1.101 19.685 19.000 -0.694 0.000 1.254 347 A HN 0.564 nan 8.150 nan 0.000 0.453 348 H N 0.847 119.610 119.070 -0.512 0.000 2.600 348 H HA 0.666 5.231 4.556 0.015 0.000 0.357 348 H C -1.449 173.653 175.328 -0.376 0.000 1.106 348 H CA -0.166 55.631 56.048 -0.419 0.000 1.193 348 H CB 1.442 31.120 29.762 -0.140 0.000 1.594 348 H HN 0.537 nan 8.280 nan 0.000 0.526 349 F N -0.289 119.828 119.950 0.278 0.000 2.764 349 F HA 0.413 4.949 4.527 0.015 0.000 0.347 349 F C 0.706 176.612 175.800 0.177 0.000 1.151 349 F CA -1.041 57.118 58.000 0.265 0.000 1.021 349 F CB 1.075 40.320 39.000 0.408 0.000 1.438 349 F HN 0.308 nan 8.300 nan 0.000 0.516 350 S N -0.034 115.890 115.700 0.373 0.000 2.549 350 S HA 0.545 5.024 4.470 0.015 0.000 0.297 350 S C -1.041 173.662 174.600 0.171 0.000 1.115 350 S CA -0.737 57.568 58.200 0.174 0.000 1.059 350 S CB 0.557 63.791 63.200 0.056 0.000 1.046 350 S HN 0.608 nan 8.310 nan 0.000 0.506 351 D N 2.185 122.644 120.400 0.099 0.000 2.506 351 D HA 0.272 4.921 4.640 0.015 0.000 0.272 351 D C 1.185 177.546 176.300 0.101 0.000 1.214 351 D CA -0.701 53.347 54.000 0.080 0.000 1.067 351 D CB 0.245 41.082 40.800 0.062 0.000 1.117 351 D HN 0.521 nan 8.370 nan 0.000 0.578 352 R N -0.559 119.995 120.500 0.090 0.000 2.105 352 R HA -0.156 4.193 4.340 0.015 0.000 0.239 352 R C 1.813 178.235 176.300 0.205 0.000 1.135 352 R CA 1.566 57.742 56.100 0.126 0.000 0.967 352 R CB -0.605 29.731 30.300 0.060 0.000 0.861 352 R HN 0.584 nan 8.270 nan 0.000 0.442 353 A N -0.725 122.177 122.820 0.136 0.000 2.119 353 A HA 0.113 4.443 4.320 0.015 0.000 0.217 353 A C 1.453 179.098 177.584 0.101 0.000 1.153 353 A CA 1.183 53.300 52.037 0.134 0.000 0.692 353 A CB -0.113 18.925 19.000 0.065 0.000 0.799 353 A HN 0.597 nan 8.150 nan 0.000 0.458 354 G N -0.957 107.820 108.800 -0.039 0.000 2.163 354 G HA2 -0.154 3.815 3.960 0.015 0.000 0.213 354 G HA3 -0.154 3.815 3.960 0.015 0.000 0.213 354 G C -0.466 174.277 174.900 -0.261 0.000 0.991 354 G CA 0.102 44.923 45.100 -0.465 0.000 0.653 354 G HN 0.468 nan 8.290 nan 0.000 0.518 355 D N 1.467 121.806 120.400 -0.101 0.000 2.210 355 D HA 0.454 5.103 4.640 0.015 0.000 0.249 355 D C -2.382 173.909 176.300 -0.016 0.000 1.062 355 D CA -1.190 52.777 54.000 -0.055 0.000 0.891 355 D CB 1.483 42.272 40.800 -0.018 0.000 1.186 355 D HN 0.052 nan 8.370 nan 0.000 0.432 356 P HA 0.121 nan 4.420 nan 0.000 0.268 356 P C -0.354 176.989 177.300 0.072 0.000 1.205 356 P CA 0.033 63.153 63.100 0.033 0.000 0.771 356 P CB 0.485 32.178 31.700 -0.012 0.000 0.858 357 I N -1.358 119.291 120.570 0.133 0.000 2.740 357 I HA 0.679 4.858 4.170 0.015 0.000 0.303 357 I C -0.800 175.387 176.117 0.116 0.000 1.044 357 I CA -0.708 60.673 61.300 0.136 0.000 1.064 357 I CB 2.554 40.660 38.000 0.176 0.000 1.249 357 I HN 0.052 nan 8.210 nan 0.000 0.433 358 T N 3.675 118.275 114.554 0.075 0.000 2.824 358 T HA 0.506 4.865 4.350 0.015 0.000 0.282 358 T C -0.477 174.177 174.700 -0.077 0.000 0.993 358 T CA -0.456 61.630 62.100 -0.022 0.000 0.967 358 T CB 2.025 70.935 68.868 0.069 0.000 0.960 358 T HN 0.424 nan 8.240 nan 0.000 0.441 359 V N 4.813 124.602 119.914 -0.208 0.000 2.328 359 V HA 0.332 4.461 4.120 0.015 0.000 0.278 359 V C 0.350 176.332 176.094 -0.187 0.000 1.021 359 V CA -0.989 61.243 62.300 -0.112 0.000 0.838 359 V CB 0.980 32.796 31.823 -0.012 0.000 0.999 359 V HN 0.693 nan 8.190 nan 0.000 0.447 360 K N 3.573 123.898 120.400 -0.125 0.000 2.350 360 K HA 0.229 4.558 4.320 0.015 0.000 0.279 360 K C 0.553 177.058 176.600 -0.157 0.000 1.027 360 K CA -0.012 56.189 56.287 -0.143 0.000 0.969 360 K CB 0.240 32.671 32.500 -0.115 0.000 0.954 360 K HN 0.816 nan 8.250 nan 0.000 0.474 361 N N 0.702 119.299 118.700 -0.171 0.000 2.738 361 N HA -0.258 4.492 4.740 0.015 0.000 0.249 361 N C 0.424 175.911 175.510 -0.038 0.000 1.047 361 N CA 0.383 53.347 53.050 -0.143 0.000 0.707 361 N CB -0.801 37.395 38.487 -0.486 0.000 0.937 361 N HN 0.751 nan 8.380 nan 0.000 0.545 362 A N -0.745 122.003 122.820 -0.120 0.000 2.014 362 A HA 0.187 4.516 4.320 0.015 0.000 0.218 362 A C 0.849 178.380 177.584 -0.089 0.000 1.163 362 A CA 1.057 53.001 52.037 -0.154 0.000 0.652 362 A CB 0.657 19.386 19.000 -0.452 0.000 0.808 362 A HN 0.181 nan 8.150 nan 0.000 0.449 363 V N -0.669 119.206 119.914 -0.064 0.000 2.588 363 V HA 0.381 4.510 4.120 0.015 0.000 0.304 363 V C -0.480 175.685 176.094 0.118 0.000 1.042 363 V CA -0.956 61.360 62.300 0.027 0.000 0.877 363 V CB 1.180 32.982 31.823 -0.035 0.000 0.996 363 V HN 0.400 nan 8.190 nan 0.000 0.425 364 C N 6.938 126.295 119.300 0.095 0.000 2.382 364 C HA 0.835 5.304 4.460 0.015 0.000 0.327 364 C C -0.487 174.498 174.990 -0.009 0.000 1.250 364 C CA -0.389 58.614 59.018 -0.026 0.000 1.707 364 C CB -0.438 27.310 27.740 0.013 0.000 2.272 364 C HN 0.815 nan 8.230 nan 0.000 0.506 365 I N 7.691 128.213 120.570 -0.080 0.000 2.466 365 I HA 0.556 4.735 4.170 0.015 0.000 0.289 365 I C -0.299 175.772 176.117 -0.077 0.000 1.026 365 I CA -0.044 61.162 61.300 -0.157 0.000 1.078 365 I CB 1.465 39.269 38.000 -0.327 0.000 1.249 365 I HN 0.889 nan 8.210 nan 0.000 0.429 366 H N 4.587 123.501 119.070 -0.259 0.000 3.014 366 H HA 0.493 5.058 4.556 0.015 0.000 0.337 366 H C -1.894 173.361 175.328 -0.122 0.000 1.320 366 H CA -1.071 54.926 56.048 -0.085 0.000 1.128 366 H CB 1.424 31.186 29.762 -0.000 0.000 1.862 366 H HN 0.614 nan 8.280 nan 0.000 0.536 367 E N 1.168 121.408 120.200 0.067 0.000 2.212 367 E HA 0.540 4.899 4.350 0.015 0.000 0.270 367 E C -0.794 175.856 176.600 0.082 0.000 0.956 367 E CA -0.921 55.456 56.400 -0.038 0.000 0.825 367 E CB 2.637 32.447 29.700 0.184 0.000 1.167 367 E HN 0.755 nan 8.360 nan 0.000 0.400 368 E N 1.143 121.360 120.200 0.029 0.000 2.430 368 E HA 0.192 4.551 4.350 0.015 0.000 0.279 368 E C -1.226 175.422 176.600 0.080 0.000 1.003 368 E CA -1.016 55.440 56.400 0.092 0.000 0.801 368 E CB 1.231 31.001 29.700 0.116 0.000 1.313 368 E HN 0.501 nan 8.360 nan 0.000 0.459 369 D N 0.364 120.809 120.400 0.076 0.000 2.472 369 D HA -0.044 4.605 4.640 0.015 0.000 0.237 369 D C -0.668 175.654 176.300 0.037 0.000 1.141 369 D CA 0.648 54.683 54.000 0.058 0.000 0.875 369 D CB 0.892 41.717 40.800 0.041 0.000 1.192 369 D HN 0.520 nan 8.370 nan 0.000 0.450 370 D N 1.837 122.259 120.400 0.037 0.000 2.819 370 D HA 0.325 4.974 4.640 0.015 0.000 0.326 370 D C 0.450 176.756 176.300 0.009 0.000 1.408 370 D CA 0.466 54.478 54.000 0.020 0.000 0.811 370 D CB -0.061 40.763 40.800 0.040 0.000 1.148 370 D HN 0.717 nan 8.370 nan 0.000 0.457 371 G N 0.206 109.007 108.800 0.002 0.000 2.632 371 G HA2 -0.237 3.733 3.960 0.015 0.000 0.224 371 G HA3 -0.237 3.733 3.960 0.015 0.000 0.224 371 G C -0.390 174.498 174.900 -0.020 0.000 1.341 371 G CA -0.389 44.707 45.100 -0.008 0.000 0.880 371 G HN 0.274 nan 8.290 nan 0.000 0.566 372 L N 0.392 121.600 121.223 -0.025 0.000 2.416 372 L HA 0.322 4.671 4.340 0.015 0.000 0.272 372 L C 1.821 178.650 176.870 -0.068 0.000 1.161 372 L CA -0.592 54.217 54.840 -0.052 0.000 0.845 372 L CB 0.904 42.947 42.059 -0.026 0.000 1.119 372 L HN 0.588 nan 8.230 nan 0.000 0.464 373 L N 4.060 125.172 121.223 -0.185 0.000 2.145 373 L HA 0.235 4.584 4.340 0.015 0.000 0.201 373 L C -0.076 176.716 176.870 -0.130 0.000 1.075 373 L CA 1.364 56.066 54.840 -0.229 0.000 0.773 373 L CB 0.212 41.992 42.059 -0.465 0.000 0.936 373 L HN 0.577 nan 8.230 nan 0.000 0.451 374 F N -2.676 117.297 119.950 0.038 0.000 2.770 374 F HA 0.581 5.117 4.527 0.015 0.000 0.313 374 F C -0.754 175.077 175.800 0.053 0.000 1.154 374 F CA -1.654 56.370 58.000 0.040 0.000 0.923 374 F CB 0.780 39.800 39.000 0.034 0.000 1.301 374 F HN -0.223 nan 8.300 nan 0.000 0.449 375 K N 0.764 121.366 120.400 0.336 0.000 2.557 375 K HA 0.567 4.896 4.320 0.015 0.000 0.257 375 K C -2.554 174.207 176.600 0.269 0.000 0.933 375 K CA -0.754 55.678 56.287 0.242 0.000 0.820 375 K CB 2.184 34.757 32.500 0.121 0.000 1.330 375 K HN 1.062 nan 8.250 nan 0.000 0.432 376 H N 0.396 119.546 119.070 0.132 0.000 3.026 376 H HA 0.507 5.072 4.556 0.016 0.000 0.352 376 H C -1.850 173.551 175.328 0.123 0.000 1.090 376 H CA -0.229 55.882 56.048 0.105 0.000 1.268 376 H CB 1.978 31.793 29.762 0.088 0.000 1.816 376 H HN 0.522 nan 8.280 nan 0.000 0.518 377 S N 3.178 118.539 115.700 -0.565 0.000 2.568 377 S HA 0.238 4.717 4.470 0.015 0.000 0.293 377 S C -1.215 173.211 174.600 -0.291 0.000 1.089 377 S CA -0.926 57.124 58.200 -0.250 0.000 0.945 377 S CB 1.622 64.847 63.200 0.042 0.000 1.077 377 S HN 0.678 nan 8.310 nan 0.000 0.485 378 D N 1.468 121.850 120.400 -0.030 0.000 2.274 378 D HA 0.240 4.889 4.640 0.015 0.000 0.239 378 D C 0.891 177.143 176.300 -0.080 0.000 1.104 378 D CA -0.947 53.030 54.000 -0.038 0.000 0.840 378 D CB 0.554 41.293 40.800 -0.102 0.000 1.100 378 D HN 0.444 nan 8.370 nan 0.000 0.477 379 F N 3.606 123.523 119.950 -0.055 0.000 2.333 379 F HA -0.031 4.505 4.527 0.015 0.000 0.300 379 F C 1.773 177.362 175.800 -0.350 0.000 1.083 379 F CA 0.532 58.280 58.000 -0.420 0.000 1.395 379 F CB -0.327 38.588 39.000 -0.143 0.000 1.056 379 F HN 0.220 nan 8.300 nan 0.000 0.529 380 R N 0.901 120.820 120.500 -0.969 0.000 2.120 380 R HA -0.131 4.218 4.340 0.015 0.000 0.234 380 R C 0.511 176.612 176.300 -0.332 0.000 1.123 380 R CA 1.524 57.208 56.100 -0.693 0.000 0.975 380 R CB -0.671 29.236 30.300 -0.653 0.000 0.866 380 R HN 0.536 nan 8.270 nan 0.000 0.446 381 D N -1.429 118.797 120.400 -0.289 0.000 2.772 381 D HA 0.005 4.655 4.640 0.015 0.000 0.272 381 D C -0.537 175.645 176.300 -0.196 0.000 1.314 381 D CA -0.479 53.411 54.000 -0.183 0.000 0.835 381 D CB -0.775 39.956 40.800 -0.116 0.000 1.080 381 D HN 0.094 nan 8.370 nan 0.000 0.482 382 N N 1.002 119.499 118.700 -0.339 0.000 2.727 382 N HA -0.285 4.464 4.740 0.015 0.000 0.249 382 N C -0.671 174.626 175.510 -0.354 0.000 1.048 382 N CA 0.385 53.157 53.050 -0.463 0.000 0.714 382 N CB -0.886 37.492 38.487 -0.182 0.000 0.959 382 N HN 0.255 nan 8.380 nan 0.000 0.544 383 F N -4.658 115.295 119.950 0.005 0.000 2.914 383 F HA -0.336 4.200 4.527 0.015 0.000 0.304 383 F C 1.690 177.499 175.800 0.015 0.000 0.712 383 F CA 0.826 58.823 58.000 -0.005 0.000 1.211 383 F CB -2.176 36.827 39.000 0.005 0.000 1.515 383 F HN 0.293 nan 8.300 nan 0.000 0.350 384 A N -0.985 121.898 122.820 0.105 0.000 1.933 384 A HA -0.062 4.268 4.320 0.015 0.000 0.218 384 A C 1.473 179.126 177.584 0.115 0.000 1.175 384 A CA 1.952 54.054 52.037 0.107 0.000 0.628 384 A CB -0.583 18.446 19.000 0.048 0.000 0.814 384 A HN 0.367 nan 8.150 nan 0.000 0.444 385 T N 1.075 115.665 114.554 0.060 0.000 2.751 385 T HA 0.421 4.780 4.350 0.015 0.000 0.290 385 T C -0.224 174.526 174.700 0.084 0.000 0.919 385 T CA 0.661 62.789 62.100 0.047 0.000 1.136 385 T CB 0.139 69.007 68.868 -0.000 0.000 0.875 385 T HN 0.307 nan 8.240 nan 0.000 0.532 386 S N 3.439 119.202 115.700 0.104 0.000 2.535 386 S HA 0.672 5.151 4.470 0.015 0.000 0.272 386 S C -1.715 172.959 174.600 0.123 0.000 1.149 386 S CA -0.882 57.402 58.200 0.140 0.000 0.888 386 S CB 1.014 64.359 63.200 0.242 0.000 1.110 386 S HN 0.675 nan 8.310 nan 0.000 0.463 387 L N 4.545 125.853 121.223 0.143 0.000 2.436 387 L HA 0.956 5.305 4.340 0.015 0.000 0.268 387 L C -1.466 175.525 176.870 0.202 0.000 0.974 387 L CA -0.549 54.379 54.840 0.147 0.000 0.826 387 L CB 1.792 43.934 42.059 0.139 0.000 1.291 387 L HN 0.569 nan 8.230 nan 0.000 0.406 388 V N 3.540 123.566 119.914 0.187 0.000 2.733 388 V HA 0.695 4.824 4.120 0.015 0.000 0.306 388 V C -1.010 175.111 176.094 0.045 0.000 1.084 388 V CA 0.117 62.498 62.300 0.134 0.000 0.905 388 V CB 2.558 34.451 31.823 0.116 0.000 1.010 388 V HN 0.862 nan 8.190 nan 0.000 0.424 389 T N 7.032 121.507 114.554 -0.131 0.000 2.840 389 T HA 0.532 4.891 4.350 0.015 0.000 0.287 389 T C -0.325 174.181 174.700 -0.324 0.000 0.991 389 T CA -0.552 61.375 62.100 -0.288 0.000 0.964 389 T CB 1.215 69.749 68.868 -0.558 0.000 0.954 389 T HN 0.724 nan 8.240 nan 0.000 0.438 390 R N 1.447 121.848 120.500 -0.165 0.000 2.539 390 R HA 0.660 5.009 4.340 0.015 0.000 0.275 390 R C 0.187 176.418 176.300 -0.115 0.000 1.077 390 R CA -0.523 55.510 56.100 -0.113 0.000 1.097 390 R CB 0.787 31.062 30.300 -0.041 0.000 1.018 390 R HN 0.701 nan 8.270 nan 0.000 0.483 391 A N 1.630 124.410 122.820 -0.067 0.000 2.304 391 A HA 0.428 4.757 4.320 0.015 0.000 0.301 391 A C -0.362 177.268 177.584 0.077 0.000 1.132 391 A CA -0.286 51.749 52.037 -0.004 0.000 0.819 391 A CB 1.063 20.072 19.000 0.015 0.000 1.094 391 A HN 0.610 nan 8.150 nan 0.000 0.492 392 T N 2.233 116.889 114.554 0.170 0.000 2.841 392 T HA 0.539 4.898 4.350 0.015 0.000 0.283 392 T C -0.362 174.592 174.700 0.423 0.000 1.000 392 T CA -0.664 61.602 62.100 0.276 0.000 0.977 392 T CB 1.242 70.321 68.868 0.352 0.000 0.979 392 T HN 0.764 nan 8.240 nan 0.000 0.446 393 K N 1.738 122.280 120.400 0.236 0.000 2.267 393 K HA 0.775 5.104 4.320 0.015 0.000 0.246 393 K C -1.267 175.137 176.600 -0.326 0.000 0.954 393 K CA -1.104 55.231 56.287 0.081 0.000 0.824 393 K CB 1.695 34.198 32.500 0.005 0.000 1.167 393 K HN 0.350 nan 8.250 nan 0.000 0.431 394 L N 2.366 123.092 121.223 -0.829 0.000 2.282 394 L HA 0.390 4.739 4.340 0.015 0.000 0.288 394 L C -1.408 175.175 176.870 -0.478 0.000 1.033 394 L CA -0.447 53.797 54.840 -0.994 0.000 0.807 394 L CB 1.741 42.797 42.059 -1.671 0.000 1.209 394 L HN 0.566 nan 8.230 nan 0.000 0.423 395 V N 5.782 125.410 119.914 -0.476 0.000 2.448 395 V HA 0.540 4.669 4.120 0.015 0.000 0.295 395 V C -0.557 175.449 176.094 -0.147 0.000 1.025 395 V CA -0.687 61.459 62.300 -0.255 0.000 0.859 395 V CB 1.850 33.468 31.823 -0.341 0.000 0.988 395 V HN 0.501 nan 8.190 nan 0.000 0.431 396 V N 4.426 124.378 119.914 0.063 0.000 2.376 396 V HA 0.710 4.839 4.120 0.015 0.000 0.287 396 V C 0.009 176.244 176.094 0.235 0.000 1.015 396 V CA -0.217 62.153 62.300 0.117 0.000 0.834 396 V CB 1.591 33.509 31.823 0.159 0.000 1.001 396 V HN 1.024 nan 8.190 nan 0.000 0.428 397 S N 4.391 120.191 115.700 0.167 0.000 2.595 397 S HA 0.924 5.403 4.470 0.015 0.000 0.281 397 S C -1.059 173.598 174.600 0.096 0.000 1.117 397 S CA -0.810 57.444 58.200 0.089 0.000 0.873 397 S CB 2.542 65.744 63.200 0.005 0.000 1.108 397 S HN 0.847 nan 8.310 nan 0.000 0.477 398 Q N 0.558 120.383 119.800 0.043 0.000 2.511 398 Q HA 0.772 5.121 4.340 0.015 0.000 0.289 398 Q C -1.730 174.289 176.000 0.033 0.000 1.021 398 Q CA -1.135 54.747 55.803 0.131 0.000 0.785 398 Q CB 1.593 30.533 28.738 0.336 0.000 1.472 398 Q HN 0.750 nan 8.270 nan 0.000 0.411 399 I N 2.227 122.858 120.570 0.102 0.000 2.499 399 I HA 0.513 4.692 4.170 0.015 0.000 0.288 399 I C -1.172 175.061 176.117 0.193 0.000 1.048 399 I CA -0.942 60.387 61.300 0.048 0.000 1.062 399 I CB 1.524 39.525 38.000 0.002 0.000 1.238 399 I HN 0.683 nan 8.210 nan 0.000 0.426 400 F N 2.976 123.010 119.950 0.140 0.000 2.561 400 F HA 0.803 5.339 4.527 0.015 0.000 0.321 400 F C -0.608 175.292 175.800 0.167 0.000 1.065 400 F CA -0.795 57.301 58.000 0.160 0.000 0.934 400 F CB 1.567 40.665 39.000 0.164 0.000 1.215 400 F HN 0.165 nan 8.300 nan 0.000 0.471 401 T N 2.578 117.368 114.554 0.394 0.000 2.770 401 T HA 0.680 5.039 4.350 0.015 0.000 0.283 401 T C -0.421 174.449 174.700 0.283 0.000 0.988 401 T CA -0.442 61.800 62.100 0.237 0.000 0.957 401 T CB 1.156 70.105 68.868 0.135 0.000 0.930 401 T HN 0.915 nan 8.240 nan 0.000 0.443 402 A N 2.905 125.879 122.820 0.257 0.000 2.654 402 A HA 0.761 5.090 4.320 0.015 0.000 0.345 402 A C 1.199 178.755 177.584 -0.046 0.000 1.368 402 A CA 0.049 52.136 52.037 0.083 0.000 0.895 402 A CB -0.946 18.190 19.000 0.227 0.000 1.143 402 A HN 1.464 nan 8.150 nan 0.000 0.490 403 A N 2.176 124.955 122.820 -0.068 0.000 5.078 403 A HA -0.318 4.011 4.320 0.015 0.000 0.342 403 A C 1.078 178.706 177.584 0.073 0.000 1.749 403 A CA 1.720 53.769 52.037 0.021 0.000 0.700 403 A CB -2.098 16.918 19.000 0.028 0.000 1.446 403 A HN 1.505 nan 8.150 nan 0.000 0.395 407 Y N 1.308 121.286 120.300 -0.535 0.000 2.356 407 Y HA 0.427 4.987 4.550 0.015 0.000 0.334 407 Y C -0.363 175.255 175.900 -0.470 0.000 0.958 407 Y CA -0.758 56.992 58.100 -0.583 0.000 1.196 407 Y CB 1.116 38.953 38.460 -1.038 0.000 1.137 407 Y HN 0.459 nan 8.280 nan 0.000 0.485 408 C N 5.821 125.005 119.300 -0.192 0.000 2.255 408 C HA 0.600 5.069 4.460 0.015 0.000 0.326 408 C C -0.030 174.738 174.990 -0.370 0.000 1.258 408 C CA -1.192 57.676 59.018 -0.250 0.000 1.676 408 C CB -1.076 26.607 27.740 -0.095 0.000 2.314 408 C HN 0.646 nan 8.230 nan 0.000 0.509 409 L N 3.816 124.736 121.223 -0.505 0.000 2.313 409 L HA 0.523 4.873 4.340 0.015 0.000 0.283 409 L C -1.116 175.372 176.870 -0.636 0.000 1.013 409 L CA -0.457 54.124 54.840 -0.431 0.000 0.816 409 L CB 0.845 42.815 42.059 -0.148 0.000 1.236 409 L HN 0.619 nan 8.230 nan 0.000 0.419 410 Y N 0.829 120.968 120.300 -0.270 0.000 2.349 410 Y HA 0.299 4.858 4.550 0.015 0.000 0.324 410 Y C -0.876 174.826 175.900 -0.331 0.000 1.005 410 Y CA -0.691 57.297 58.100 -0.187 0.000 1.240 410 Y CB 1.069 39.449 38.460 -0.135 0.000 1.117 410 Y HN 0.468 nan 8.280 nan 0.000 0.463 411 W N 3.631 124.942 121.300 0.018 0.000 2.335 411 W HA 0.618 5.287 4.660 0.015 0.000 0.306 411 W C -0.843 175.620 176.519 -0.094 0.000 1.216 411 W CA -0.694 56.601 57.345 -0.084 0.000 1.237 411 W CB 1.008 30.427 29.460 -0.068 0.000 1.243 411 W HN 0.123 nan 8.180 nan 0.000 0.493 412 V N 5.238 125.122 119.914 -0.050 0.000 2.444 412 V HA 0.414 4.544 4.120 0.015 0.000 0.294 412 V C -0.638 175.306 176.094 -0.249 0.000 1.022 412 V CA -1.143 61.104 62.300 -0.089 0.000 0.850 412 V CB 0.767 32.529 31.823 -0.102 0.000 0.992 412 V HN 0.198 nan 8.190 nan 0.000 0.426 413 F N 4.569 124.378 119.950 -0.235 0.000 2.421 413 F HA 0.738 5.274 4.527 0.015 0.000 0.337 413 F C 0.333 176.223 175.800 0.150 0.000 1.105 413 F CA -0.513 57.360 58.000 -0.211 0.000 1.049 413 F CB 1.721 40.461 39.000 -0.433 0.000 1.139 413 F HN 0.272 nan 8.300 nan 0.000 0.479 414 M N 2.032 121.948 119.600 0.527 0.000 2.602 414 M HA 0.334 4.824 4.480 0.015 0.000 0.312 414 M C 0.508 177.207 176.300 0.665 0.000 1.181 414 M CA -0.586 55.039 55.300 0.542 0.000 0.910 414 M CB 2.213 34.983 32.600 0.283 0.000 1.723 414 M HN 0.582 nan 8.290 nan 0.000 0.459 415 Q N 0.711 120.779 119.800 0.446 0.000 2.444 415 Q HA -0.088 4.261 4.340 0.015 0.000 0.206 415 Q C 0.349 176.457 176.000 0.180 0.000 0.948 415 Q CA 0.591 56.546 55.803 0.254 0.000 0.946 415 Q CB 0.057 28.865 28.738 0.116 0.000 1.027 415 Q HN 0.651 nan 8.270 nan 0.000 0.513 416 D N -1.318 119.197 120.400 0.192 0.000 2.328 416 D HA 0.044 4.693 4.640 0.015 0.000 0.221 416 D C 1.141 177.475 176.300 0.057 0.000 1.072 416 D CA 0.687 54.741 54.000 0.090 0.000 0.850 416 D CB 0.259 41.119 40.800 0.100 0.000 0.922 416 D HN 0.216 nan 8.370 nan 0.000 0.516 417 G N -0.318 108.618 108.800 0.228 0.000 2.175 417 G HA2 -0.164 3.805 3.960 0.015 0.000 0.244 417 G HA3 -0.164 3.805 3.960 0.015 0.000 0.244 417 G C 0.537 175.769 174.900 0.555 0.000 0.982 417 G CA 0.151 45.444 45.100 0.321 0.000 0.641 417 G HN 0.808 nan 8.290 nan 0.000 0.527 418 A N -0.285 122.753 122.820 0.363 0.000 2.332 418 A HA 0.785 5.114 4.320 0.015 0.000 0.258 418 A C 0.189 177.894 177.584 0.201 0.000 1.087 418 A CA 0.215 52.407 52.037 0.258 0.000 0.802 418 A CB 0.465 19.535 19.000 0.117 0.000 1.042 418 A HN 0.885 nan 8.150 nan 0.000 0.489 419 I N 0.816 121.420 120.570 0.058 0.000 2.499 419 I HA 0.436 4.615 4.170 0.015 0.000 0.288 419 I C 0.014 176.029 176.117 -0.171 0.000 1.048 419 I CA -0.512 60.638 61.300 -0.249 0.000 1.062 419 I CB 2.023 39.784 38.000 -0.399 0.000 1.238 419 I HN 0.937 nan 8.210 nan 0.000 0.426 420 R N 5.316 125.684 120.500 -0.220 0.000 2.807 420 R HA 0.804 5.153 4.340 0.015 0.000 0.276 420 R C -1.851 174.293 176.300 -0.260 0.000 0.979 420 R CA -0.930 55.053 56.100 -0.195 0.000 0.928 420 R CB 2.241 32.454 30.300 -0.145 0.000 1.191 420 R HN 0.427 nan 8.270 nan 0.000 0.471 421 L N 2.042 123.058 121.223 -0.345 0.000 2.305 421 L HA 0.472 4.821 4.340 0.015 0.000 0.284 421 L C -1.504 175.135 176.870 -0.385 0.000 1.013 421 L CA -0.268 54.256 54.840 -0.527 0.000 0.819 421 L CB 1.519 43.097 42.059 -0.801 0.000 1.227 421 L HN 0.655 nan 8.230 nan 0.000 0.417 422 D N 6.060 126.294 120.400 -0.277 0.000 2.192 422 D HA 0.542 5.191 4.640 0.015 0.000 0.246 422 D C -0.427 175.835 176.300 -0.062 0.000 1.042 422 D CA 0.198 54.112 54.000 -0.143 0.000 0.847 422 D CB 2.185 42.922 40.800 -0.105 0.000 1.186 422 D HN 0.436 nan 8.370 nan 0.000 0.461 423 I N 1.502 122.031 120.570 -0.068 0.000 2.608 423 I HA 0.399 4.578 4.170 0.015 0.000 0.295 423 I C 0.023 176.140 176.117 -0.001 0.000 1.049 423 I CA -0.823 60.443 61.300 -0.057 0.000 1.063 423 I CB 2.092 39.966 38.000 -0.210 0.000 1.248 423 I HN -0.052 nan 8.210 nan 0.000 0.424 424 R N 6.081 126.605 120.500 0.040 0.000 2.480 424 R HA 0.628 4.977 4.340 0.015 0.000 0.306 424 R C -1.375 174.857 176.300 -0.112 0.000 0.958 424 R CA -0.855 55.236 56.100 -0.014 0.000 0.861 424 R CB 2.216 32.548 30.300 0.054 0.000 1.171 424 R HN 0.483 nan 8.270 nan 0.000 0.445 425 L N 2.065 123.177 121.223 -0.185 0.000 2.275 425 L HA 0.499 4.848 4.340 0.015 0.000 0.288 425 L C 0.609 177.315 176.870 -0.273 0.000 1.046 425 L CA -0.235 54.403 54.840 -0.336 0.000 0.805 425 L CB 1.602 43.405 42.059 -0.427 0.000 1.193 425 L HN 0.676 nan 8.230 nan 0.000 0.426 426 T N 0.989 115.363 114.554 -0.299 0.000 2.572 426 T HA 0.816 5.175 4.350 0.015 0.000 0.274 426 T C 0.034 174.590 174.700 -0.239 0.000 0.949 426 T CA 0.415 62.381 62.100 -0.223 0.000 1.126 426 T CB 1.346 70.107 68.868 -0.178 0.000 1.478 426 T HN 0.990 nan 8.240 nan 0.000 0.492 427 G N 0.392 109.059 108.800 -0.221 0.000 2.484 427 G HA2 -0.062 3.907 3.960 0.015 0.000 0.225 427 G HA3 -0.062 3.907 3.960 0.015 0.000 0.225 427 G C -0.927 173.840 174.900 -0.222 0.000 1.250 427 G CA -0.122 44.845 45.100 -0.222 0.000 0.926 427 G HN 0.948 nan 8.290 nan 0.000 0.581 428 I N 0.818 121.252 120.570 -0.227 0.000 2.545 428 I HA 0.422 4.602 4.170 0.015 0.000 0.292 428 I C 0.674 176.691 176.117 -0.166 0.000 1.040 428 I CA -0.884 60.265 61.300 -0.252 0.000 1.068 428 I CB 1.818 39.535 38.000 -0.470 0.000 1.251 428 I HN 0.513 nan 8.210 nan 0.000 0.424 429 L N 5.104 126.337 121.223 0.016 0.000 2.514 429 L HA 0.000 4.349 4.340 0.015 0.000 0.280 429 L C 0.956 177.839 176.870 0.022 0.000 1.223 429 L CA 0.293 55.189 54.840 0.093 0.000 0.864 429 L CB -0.108 42.072 42.059 0.202 0.000 1.118 429 L HN 0.670 nan 8.230 nan 0.000 0.494 430 N N 2.075 120.820 118.700 0.076 0.000 2.483 430 N HA 0.062 4.811 4.740 0.015 0.000 0.264 430 N C -0.702 174.886 175.510 0.130 0.000 1.197 430 N CA -0.105 53.026 53.050 0.134 0.000 0.927 430 N CB 0.862 39.404 38.487 0.090 0.000 1.065 430 N HN 0.701 nan 8.380 nan 0.000 0.461 431 T N 0.837 115.541 114.554 0.249 0.000 2.907 431 T HA 0.428 4.787 4.350 0.015 0.000 0.292 431 T C -1.052 173.721 174.700 0.122 0.000 1.043 431 T CA -0.755 61.432 62.100 0.145 0.000 1.003 431 T CB 1.574 70.577 68.868 0.225 0.000 1.084 431 T HN 0.505 nan 8.240 nan 0.000 0.483 432 Y N 1.201 121.360 120.300 -0.236 0.000 2.576 432 Y HA 0.681 5.240 4.550 0.015 0.000 0.346 432 Y C -0.501 175.297 175.900 -0.170 0.000 1.018 432 Y CA -2.065 55.883 58.100 -0.253 0.000 1.050 432 Y CB 1.522 39.741 38.460 -0.402 0.000 1.280 432 Y HN 0.990 nan 8.280 nan 0.000 0.474 433 I N 4.386 124.330 120.570 -1.044 0.000 2.696 433 I HA 0.230 4.409 4.170 0.015 0.000 0.284 433 I C -1.299 174.572 176.117 -0.409 0.000 1.129 433 I CA -0.247 60.667 61.300 -0.644 0.000 1.410 433 I CB 0.524 38.153 38.000 -0.618 0.000 1.399 433 I HN 0.596 nan 8.210 nan 0.000 0.579 434 L N 7.253 128.352 121.223 -0.208 0.000 2.381 434 L HA 0.629 4.979 4.340 0.015 0.000 0.274 434 L C 0.071 176.898 176.870 -0.070 0.000 0.988 434 L CA -0.102 54.685 54.840 -0.087 0.000 0.824 434 L CB 1.505 43.523 42.059 -0.068 0.000 1.263 434 L HN 0.630 nan 8.230 nan 0.000 0.410 435 G N 2.362 111.145 108.800 -0.028 0.000 2.594 435 G HA2 0.110 4.079 3.960 0.015 0.000 0.243 435 G HA3 0.110 4.079 3.960 0.015 0.000 0.243 435 G C 0.353 175.244 174.900 -0.015 0.000 1.229 435 G CA -0.180 44.909 45.100 -0.018 0.000 0.843 435 G HN 0.786 nan 8.290 nan 0.000 0.578 436 D N 0.219 120.614 120.400 -0.009 0.000 2.133 436 D HA -0.111 4.538 4.640 0.015 0.000 0.192 436 D C 1.278 177.574 176.300 -0.007 0.000 1.001 436 D CA 1.453 55.451 54.000 -0.003 0.000 0.844 436 D CB 0.184 40.987 40.800 0.004 0.000 0.944 436 D HN 0.412 nan 8.370 nan 0.000 0.447 437 D N 0.223 120.621 120.400 -0.002 0.000 2.424 437 D HA 0.022 4.672 4.640 0.015 0.000 0.220 437 D C 0.206 176.508 176.300 0.003 0.000 1.150 437 D CA -0.089 53.910 54.000 -0.002 0.000 0.831 437 D CB 0.237 41.037 40.800 0.001 0.000 0.981 437 D HN 0.317 nan 8.370 nan 0.000 0.500 438 E N 1.621 121.825 120.200 0.007 0.000 2.289 438 E HA 0.075 4.434 4.350 0.015 0.000 0.278 438 E C -0.316 176.293 176.600 0.015 0.000 1.032 438 E CA -0.432 55.981 56.400 0.023 0.000 0.854 438 E CB 0.943 30.666 29.700 0.039 0.000 1.046 438 E HN -0.177 nan 8.360 nan 0.000 0.409 439 E N 3.210 123.422 120.200 0.019 0.000 2.229 439 E HA 0.218 4.577 4.350 0.015 0.000 0.283 439 E C -0.050 176.565 176.600 0.025 0.000 1.030 439 E CA 0.182 56.585 56.400 0.004 0.000 0.836 439 E CB 1.398 31.089 29.700 -0.015 0.000 1.068 439 E HN 0.546 nan 8.360 nan 0.000 0.401 440 A N 4.140 126.973 122.820 0.021 0.000 1.929 440 A HA 0.168 4.497 4.320 0.015 0.000 0.216 440 A C 1.317 178.922 177.584 0.035 0.000 1.176 440 A CA 0.977 53.051 52.037 0.062 0.000 0.628 440 A CB -0.800 18.230 19.000 0.050 0.000 0.816 440 A HN 0.647 nan 8.150 nan 0.000 0.444 441 G N -0.678 108.094 108.800 -0.046 0.000 2.606 441 G HA2 0.392 4.361 3.960 0.015 0.000 0.252 441 G HA3 0.392 4.361 3.960 0.015 0.000 0.252 441 G C -1.293 173.397 174.900 -0.351 0.000 1.206 441 G CA -0.342 44.668 45.100 -0.149 0.000 0.861 441 G HN 0.210 nan 8.290 nan 0.000 0.561 442 P HA 0.075 nan 4.420 nan 0.000 0.255 442 P C 0.446 177.545 177.300 -0.334 0.000 1.248 442 P CA 0.379 63.122 63.100 -0.595 0.000 0.807 442 P CB 0.121 31.320 31.700 -0.835 0.000 1.150 443 W N 0.395 121.750 121.300 0.092 0.000 3.197 443 W HA 0.430 5.099 4.660 0.015 0.000 0.274 443 W C 0.966 177.586 176.519 0.168 0.000 1.297 443 W CA -0.167 57.238 57.345 0.100 0.000 1.662 443 W CB 0.394 29.868 29.460 0.022 0.000 1.106 443 W HN -0.025 nan 8.180 nan 0.000 0.663 444 G N -0.507 108.484 108.800 0.319 0.000 2.600 444 G HA2 0.525 4.494 3.960 0.015 0.000 0.293 444 G HA3 0.525 4.494 3.960 0.015 0.000 0.293 444 G C -1.467 173.526 174.900 0.155 0.000 1.408 444 G CA -0.616 44.658 45.100 0.291 0.000 0.782 444 G HN -0.294 nan 8.290 nan 0.000 0.482 445 T N 0.059 114.677 114.554 0.106 0.000 2.861 445 T HA 0.469 4.829 4.350 0.015 0.000 0.287 445 T C -0.067 174.628 174.700 -0.008 0.000 1.003 445 T CA -0.635 61.494 62.100 0.048 0.000 0.977 445 T CB 1.907 70.812 68.868 0.061 0.000 0.996 445 T HN 0.561 nan 8.240 nan 0.000 0.448 446 R N 2.841 123.327 120.500 -0.024 0.000 2.325 446 R HA 0.286 4.635 4.340 0.015 0.000 0.323 446 R C 1.024 177.281 176.300 -0.072 0.000 1.177 446 R CA -0.191 55.871 56.100 -0.065 0.000 1.018 446 R CB -0.215 30.049 30.300 -0.060 0.000 1.070 446 R HN 0.579 nan 8.270 nan 0.000 0.495 447 V N 2.186 122.019 119.914 -0.134 0.000 3.608 447 V HA 0.273 4.402 4.120 0.015 0.000 0.269 447 V C -0.238 175.842 176.094 -0.023 0.000 1.245 447 V CA 0.025 62.256 62.300 -0.115 0.000 1.138 447 V CB -0.877 30.807 31.823 -0.232 0.000 0.841 447 V HN 0.686 nan 8.190 nan 0.000 0.451 448 Y N -0.755 119.399 120.300 -0.244 0.000 2.638 448 Y HA 0.562 5.121 4.550 0.015 0.000 0.334 448 Y C -3.189 172.578 175.900 -0.222 0.000 1.182 448 Y CA -2.136 55.865 58.100 -0.164 0.000 1.102 448 Y CB 1.570 39.971 38.460 -0.099 0.000 1.343 448 Y HN -0.116 nan 8.280 nan 0.000 0.463 449 P HA 0.211 nan 4.420 nan 0.000 0.265 449 P C -0.694 176.365 177.300 -0.401 0.000 1.193 449 P CA 1.206 63.915 63.100 -0.651 0.000 0.765 449 P CB 0.235 31.210 31.700 -1.207 0.000 0.823 450 N N -0.955 117.612 118.700 -0.221 0.000 2.753 450 N HA -0.141 4.608 4.740 0.015 0.000 0.251 450 N C -0.901 174.522 175.510 -0.145 0.000 1.097 450 N CA 0.357 53.325 53.050 -0.136 0.000 0.786 450 N CB -1.408 37.029 38.487 -0.083 0.000 1.137 450 N HN 0.117 nan 8.380 nan 0.000 0.566 451 V N 0.837 120.664 119.914 -0.146 0.000 2.409 451 V HA 0.281 4.410 4.120 0.015 0.000 0.291 451 V C 0.036 176.024 176.094 -0.176 0.000 1.020 451 V CA -0.683 61.516 62.300 -0.169 0.000 0.848 451 V CB 1.717 33.402 31.823 -0.231 0.000 0.990 451 V HN 0.232 nan 8.190 nan 0.000 0.430 452 N N 3.270 121.874 118.700 -0.160 0.000 2.469 452 N HA 0.609 5.358 4.740 0.015 0.000 0.253 452 N C -0.246 175.145 175.510 -0.197 0.000 0.970 452 N CA -0.427 52.544 53.050 -0.132 0.000 0.940 452 N CB 1.079 39.523 38.487 -0.071 0.000 1.128 452 N HN 0.841 nan 8.380 nan 0.000 0.503 453 A N 3.614 126.361 122.820 -0.123 0.000 2.294 453 A HA 0.232 4.561 4.320 0.015 0.000 0.316 453 A C -0.581 177.056 177.584 0.089 0.000 1.359 453 A CA -0.398 51.606 52.037 -0.055 0.000 0.956 453 A CB -0.170 18.807 19.000 -0.039 0.000 1.155 453 A HN 0.836 nan 8.150 nan 0.000 0.544 454 H N 2.187 121.358 119.070 0.169 0.000 2.707 454 H HA 0.068 4.633 4.556 0.015 0.000 0.359 454 H C 0.219 175.714 175.328 0.279 0.000 1.113 454 H CA -0.459 55.729 56.048 0.234 0.000 1.422 454 H CB 0.667 30.584 29.762 0.259 0.000 1.443 454 H HN 0.664 nan 8.280 nan 0.000 0.591 455 N N 3.026 121.919 118.700 0.322 0.000 2.395 455 N HA -0.012 4.737 4.740 0.015 0.000 0.246 455 N C -0.204 175.248 175.510 -0.096 0.000 1.246 455 N CA 0.532 53.610 53.050 0.046 0.000 0.879 455 N CB 0.347 38.889 38.487 0.093 0.000 1.098 455 N HN 0.694 nan 8.380 nan 0.000 0.444 456 H N -1.794 116.984 119.070 -0.487 0.000 3.037 456 H HA 0.323 4.888 4.556 0.015 0.000 0.336 456 H C -1.394 173.633 175.328 -0.502 0.000 1.323 456 H CA -0.783 54.850 56.048 -0.691 0.000 1.159 456 H CB 0.834 29.693 29.762 -1.504 0.000 1.882 456 H HN 0.407 nan 8.280 nan 0.000 0.535 457 Q N 0.842 120.408 119.800 -0.390 0.000 2.301 457 Q HA 0.368 4.717 4.340 0.015 0.000 0.267 457 Q C -0.721 175.127 176.000 -0.253 0.000 1.035 457 Q CA -0.949 54.690 55.803 -0.273 0.000 0.856 457 Q CB 2.333 30.965 28.738 -0.177 0.000 1.337 457 Q HN 0.525 nan 8.270 nan 0.000 0.450 458 H N 1.963 121.004 119.070 -0.049 0.000 2.587 458 H HA 0.432 4.997 4.556 0.015 0.000 0.325 458 H C -0.840 174.334 175.328 -0.256 0.000 1.012 458 H CA -0.280 55.710 56.048 -0.096 0.000 1.213 458 H CB 0.869 30.683 29.762 0.087 0.000 1.431 458 H HN 0.356 nan 8.280 nan 0.000 0.492 459 L N 3.742 124.775 121.223 -0.317 0.000 2.362 459 L HA 0.494 4.843 4.340 0.015 0.000 0.271 459 L C -0.931 175.681 176.870 -0.430 0.000 1.002 459 L CA -0.799 53.897 54.840 -0.240 0.000 0.818 459 L CB 1.665 43.691 42.059 -0.056 0.000 1.298 459 L HN 0.366 nan 8.230 nan 0.000 0.420 460 F N -0.091 119.745 119.950 -0.191 0.000 2.576 460 F HA 0.417 4.953 4.527 0.015 0.000 0.313 460 F C 0.206 175.862 175.800 -0.239 0.000 1.078 460 F CA -0.718 57.087 58.000 -0.325 0.000 0.921 460 F CB 2.256 40.779 39.000 -0.796 0.000 1.232 460 F HN 0.227 nan 8.300 nan 0.000 0.459 461 S N 3.219 118.807 115.700 -0.187 0.000 2.532 461 S HA 0.474 4.953 4.470 0.015 0.000 0.318 461 S C -1.062 173.593 174.600 0.091 0.000 1.083 461 S CA -0.536 57.540 58.200 -0.206 0.000 1.131 461 S CB 0.043 62.683 63.200 -0.933 0.000 0.973 461 S HN 0.560 nan 8.310 nan 0.000 0.468 462 L N 6.051 127.452 121.223 0.297 0.000 2.361 462 L HA 0.494 4.843 4.340 0.015 0.000 0.278 462 L C 0.260 177.162 176.870 0.053 0.000 1.113 462 L CA 0.295 55.288 54.840 0.253 0.000 0.849 462 L CB 0.503 42.748 42.059 0.309 0.000 1.155 462 L HN 0.669 nan 8.230 nan 0.000 0.452 463 R N 6.408 126.826 120.500 -0.137 0.000 2.265 463 R HA 0.534 4.883 4.340 0.015 0.000 0.328 463 R C -1.349 174.702 176.300 -0.416 0.000 0.969 463 R CA -0.517 55.254 56.100 -0.548 0.000 0.832 463 R CB 0.533 30.451 30.300 -0.635 0.000 1.139 463 R HN 0.771 nan 8.270 nan 0.000 0.457 464 I N 3.646 123.978 120.570 -0.397 0.000 2.362 464 I HA 0.161 4.340 4.170 0.015 0.000 0.289 464 I C -0.524 175.451 176.117 -0.236 0.000 0.994 464 I CA -0.702 60.375 61.300 -0.372 0.000 1.158 464 I CB 1.804 39.556 38.000 -0.414 0.000 1.315 464 I HN 0.507 nan 8.210 nan 0.000 0.451 465 D N 9.696 129.991 120.400 -0.175 0.000 2.473 465 D HA 0.325 4.974 4.640 0.015 0.000 0.226 465 D C -2.533 173.814 176.300 0.079 0.000 1.089 465 D CA -2.117 51.876 54.000 -0.011 0.000 0.883 465 D CB 1.348 42.181 40.800 0.055 0.000 1.029 465 D HN 0.134 nan 8.370 nan 0.000 0.517 466 P HA 0.344 nan 4.420 nan 0.000 0.279 466 P C -0.500 176.886 177.300 0.143 0.000 1.252 466 P CA -0.598 62.650 63.100 0.247 0.000 0.811 466 P CB 1.253 33.074 31.700 0.201 0.000 1.035 467 R N 1.984 122.556 120.500 0.120 0.000 2.593 467 R HA 0.266 4.615 4.340 0.015 0.000 0.258 467 R C -0.348 175.976 176.300 0.040 0.000 1.410 467 R CA -0.368 55.767 56.100 0.059 0.000 1.537 467 R CB -0.069 30.276 30.300 0.075 0.000 1.362 467 R HN 0.308 nan 8.270 nan 0.000 0.734 468 I N 2.606 123.210 120.570 0.056 0.000 2.576 468 I HA -0.003 4.176 4.170 0.015 0.000 0.288 468 I C 0.540 176.757 176.117 0.167 0.000 1.126 468 I CA 0.774 62.143 61.300 0.115 0.000 1.362 468 I CB 0.098 38.206 38.000 0.181 0.000 1.419 468 I HN 0.607 nan 8.210 nan 0.000 0.533 469 D N 5.157 125.699 120.400 0.238 0.000 2.751 469 D HA -0.163 4.486 4.640 0.015 0.000 0.233 469 D C 0.692 177.006 176.300 0.024 0.000 1.149 469 D CA 1.605 55.647 54.000 0.069 0.000 0.682 469 D CB -0.635 40.080 40.800 -0.141 0.000 1.068 469 D HN 1.162 nan 8.370 nan 0.000 0.429 470 G N -0.927 107.900 108.800 0.045 0.000 2.428 470 G HA2 -0.100 3.869 3.960 0.015 0.000 0.202 470 G HA3 -0.100 3.869 3.960 0.015 0.000 0.202 470 G C -1.084 173.822 174.900 0.010 0.000 1.247 470 G CA -0.175 44.937 45.100 0.020 0.000 1.020 470 G HN 0.241 nan 8.290 nan 0.000 0.529 471 D N 1.259 121.655 120.400 -0.006 0.000 2.175 471 D HA 0.554 5.203 4.640 0.015 0.000 0.248 471 D C 0.703 176.992 176.300 -0.018 0.000 1.047 471 D CA 1.342 55.330 54.000 -0.020 0.000 0.883 471 D CB 1.171 41.952 40.800 -0.032 0.000 1.180 471 D HN 2.050 nan 8.370 nan 0.000 0.438 472 G N 1.700 110.486 108.800 -0.024 0.000 2.860 472 G HA2 -0.156 3.813 3.960 0.015 0.000 0.547 472 G HA3 -0.156 3.813 3.960 0.015 0.000 0.547 472 G C -0.741 174.133 174.900 -0.043 0.000 1.103 472 G CA -0.838 44.246 45.100 -0.026 0.000 1.126 472 G HN 0.400 nan 8.290 nan 0.000 0.490 473 N N -0.321 118.343 118.700 -0.060 0.000 2.453 473 N HA 0.886 5.635 4.740 0.015 0.000 0.290 473 N C -0.160 175.225 175.510 -0.209 0.000 1.250 473 N CA -0.350 52.627 53.050 -0.123 0.000 0.815 473 N CB 2.193 40.652 38.487 -0.047 0.000 1.381 473 N HN 0.478 nan 8.380 nan 0.000 0.510 474 S N -0.716 114.703 115.700 -0.469 0.000 2.651 474 S HA 0.932 5.411 4.470 0.015 0.000 0.279 474 S C -1.190 173.131 174.600 -0.465 0.000 1.148 474 S CA -0.692 57.191 58.200 -0.528 0.000 0.837 474 S CB 2.049 64.727 63.200 -0.870 0.000 1.138 474 S HN 0.721 nan 8.310 nan 0.000 0.478 475 A N 0.253 123.022 122.820 -0.085 0.000 2.527 475 A HA 1.016 5.345 4.320 0.015 0.000 0.293 475 A C -1.107 176.424 177.584 -0.088 0.000 1.117 475 A CA -0.550 51.596 52.037 0.182 0.000 0.723 475 A CB 1.545 20.870 19.000 0.543 0.000 1.313 475 A HN 1.467 nan 8.150 nan 0.000 0.411 476 A N -0.429 122.286 122.820 -0.176 0.000 2.594 476 A HA 0.851 5.180 4.320 0.015 0.000 0.295 476 A C -0.371 177.023 177.584 -0.316 0.000 1.071 476 A CA 0.046 51.724 52.037 -0.599 0.000 0.685 476 A CB 0.921 19.874 19.000 -0.079 0.000 1.285 476 A HN 2.464 nan 8.150 nan 0.000 0.405 477 A N -0.028 122.608 122.820 -0.306 0.000 2.310 477 A HA 0.596 4.926 4.320 0.015 0.000 0.299 477 A C -0.265 177.235 177.584 -0.141 0.000 1.147 477 A CA -0.280 51.692 52.037 -0.109 0.000 0.818 477 A CB 0.029 19.085 19.000 0.094 0.000 1.096 477 A HN 1.278 nan 8.150 nan 0.000 0.495 478 C N 2.279 121.459 119.300 -0.200 0.000 2.340 478 C HA 0.620 5.089 4.460 0.015 0.000 0.323 478 C C -0.857 174.032 174.990 -0.168 0.000 1.260 478 C CA -0.837 58.099 59.018 -0.137 0.000 1.464 478 C CB 0.378 28.067 27.740 -0.085 0.000 2.156 478 C HN 0.792 nan 8.230 nan 0.000 0.476 479 D N 2.245 122.557 120.400 -0.147 0.000 2.492 479 D HA 0.466 5.115 4.640 0.015 0.000 0.248 479 D C -0.228 175.956 176.300 -0.195 0.000 1.101 479 D CA 0.126 54.025 54.000 -0.169 0.000 0.840 479 D CB 2.098 42.807 40.800 -0.151 0.000 1.209 479 D HN 0.697 nan 8.370 nan 0.000 0.524 480 A N 3.269 125.986 122.820 -0.172 0.000 2.492 480 A HA 0.310 4.639 4.320 0.015 0.000 0.254 480 A C 0.204 177.647 177.584 -0.235 0.000 1.091 480 A CA 0.191 52.121 52.037 -0.178 0.000 0.768 480 A CB 0.312 19.218 19.000 -0.156 0.000 1.028 480 A HN 0.377 nan 8.150 nan 0.000 0.498 481 K N 2.237 122.441 120.400 -0.326 0.000 2.464 481 K HA 0.392 4.722 4.320 0.015 0.000 0.253 481 K C -0.633 175.933 176.600 -0.056 0.000 0.933 481 K CA -0.616 55.508 56.287 -0.272 0.000 0.801 481 K CB 2.203 34.451 32.500 -0.421 0.000 1.271 481 K HN 0.652 nan 8.250 nan 0.000 0.430 482 S N 1.088 116.827 115.700 0.064 0.000 2.563 482 S HA -0.038 4.441 4.470 0.015 0.000 0.284 482 S C 0.500 175.300 174.600 0.334 0.000 1.331 482 S CA -0.106 58.217 58.200 0.206 0.000 1.047 482 S CB 0.824 64.100 63.200 0.126 0.000 0.859 482 S HN 0.608 nan 8.310 nan 0.000 0.514 483 S N 2.858 118.780 115.700 0.371 0.000 2.561 483 S HA 0.034 4.513 4.470 0.015 0.000 0.294 483 S C -1.108 173.621 174.600 0.214 0.000 1.294 483 S CA -1.004 57.388 58.200 0.320 0.000 1.055 483 S CB 0.262 63.618 63.200 0.261 0.000 0.819 483 S HN 0.560 nan 8.310 nan 0.000 0.503 484 P HA 0.014 nan 4.420 nan 0.000 0.229 484 P C -0.342 176.874 177.300 -0.141 0.000 1.160 484 P CA 0.636 63.708 63.100 -0.048 0.000 0.777 484 P CB -0.087 31.511 31.700 -0.170 0.000 0.814 485 Y N 2.484 122.806 120.300 0.037 0.000 2.359 485 Y HA 0.212 4.771 4.550 0.014 0.000 0.330 485 Y C -1.420 174.497 175.900 0.028 0.000 1.143 485 Y CA -2.322 55.791 58.100 0.021 0.000 1.318 485 Y CB -0.222 38.242 38.460 0.007 0.000 1.234 485 Y HN 0.005 nan 8.280 nan 0.000 0.522 486 P HA 0.056 nan 4.420 nan 0.000 0.276 486 P C -0.674 176.676 177.300 0.084 0.000 1.244 486 P CA -0.583 62.571 63.100 0.090 0.000 0.801 486 P CB 1.080 32.814 31.700 0.057 0.000 1.006 487 L N 1.619 122.878 121.223 0.060 0.000 2.653 487 L HA 0.148 4.497 4.340 0.015 0.000 0.288 487 L C 1.450 178.321 176.870 0.001 0.000 1.243 487 L CA 2.348 57.208 54.840 0.034 0.000 0.906 487 L CB -1.172 40.905 42.059 0.031 0.000 1.154 487 L HN 0.868 nan 8.230 nan 0.000 0.498 488 G N 2.177 110.950 108.800 -0.045 0.000 2.179 488 G HA2 -0.278 3.691 3.960 0.015 0.000 0.260 488 G HA3 -0.278 3.691 3.960 0.015 0.000 0.260 488 G C 0.304 175.172 174.900 -0.054 0.000 0.977 488 G CA 0.426 45.477 45.100 -0.080 0.000 0.641 488 G HN 1.231 nan 8.290 nan 0.000 0.533 489 S N 0.074 115.766 115.700 -0.014 0.000 2.603 489 S HA 0.614 5.093 4.470 0.015 0.000 0.268 489 S C -0.835 173.736 174.600 -0.048 0.000 1.317 489 S CA -0.592 57.608 58.200 0.000 0.000 1.012 489 S CB 2.131 65.379 63.200 0.081 0.000 0.926 489 S HN -0.019 nan 8.310 nan 0.000 0.539 490 P HA -0.066 nan 4.420 nan 0.000 0.219 490 P C 0.740 177.968 177.300 -0.119 0.000 1.146 490 P CA 1.143 64.191 63.100 -0.085 0.000 0.808 490 P CB 0.001 31.651 31.700 -0.083 0.000 0.779 491 E N -1.795 118.290 120.200 -0.193 0.000 2.358 491 E HA -0.029 4.330 4.350 0.015 0.000 0.195 491 E C 0.687 177.212 176.600 -0.125 0.000 1.010 491 E CA 0.634 56.857 56.400 -0.294 0.000 0.856 491 E CB -0.306 28.903 29.700 -0.818 0.000 0.795 491 E HN 0.094 nan 8.360 nan 0.000 0.504 492 N N -0.431 118.249 118.700 -0.033 0.000 2.639 492 N HA 0.068 4.818 4.740 0.015 0.000 0.265 492 N C 0.111 175.638 175.510 0.028 0.000 1.689 492 N CA -0.014 53.064 53.050 0.046 0.000 0.813 492 N CB 0.020 38.578 38.487 0.118 0.000 1.353 492 N HN -0.070 nan 8.380 nan 0.000 0.510 493 M N 0.359 119.948 119.600 -0.018 0.000 2.082 493 M HA -0.022 4.467 4.480 0.015 0.000 0.258 493 M C 0.205 176.335 176.300 -0.284 0.000 1.069 493 M CA 2.041 57.227 55.300 -0.191 0.000 1.102 493 M CB -0.298 32.117 32.600 -0.307 0.000 1.336 493 M HN 0.381 nan 8.290 nan 0.000 0.404 494 Y N -0.676 119.639 120.300 0.025 0.000 2.485 494 Y HA 0.442 5.001 4.550 0.015 0.000 0.260 494 Y C 1.480 177.406 175.900 0.044 0.000 1.173 494 Y CA 0.118 58.236 58.100 0.030 0.000 1.252 494 Y CB -0.231 38.244 38.460 0.025 0.000 1.123 494 Y HN 0.445 nan 8.280 nan 0.000 0.524 495 G N 1.367 110.259 108.800 0.153 0.000 2.168 495 G HA2 -0.378 3.591 3.960 0.015 0.000 0.257 495 G HA3 -0.378 3.591 3.960 0.015 0.000 0.257 495 G C 0.931 175.925 174.900 0.156 0.000 0.997 495 G CA 0.735 45.914 45.100 0.132 0.000 0.708 495 G HN 0.562 nan 8.290 nan 0.000 0.520 496 N N 0.011 118.817 118.700 0.176 0.000 2.299 496 N HA 0.395 5.144 4.740 0.015 0.000 0.187 496 N C 1.040 176.685 175.510 0.224 0.000 1.099 496 N CA 0.721 53.884 53.050 0.189 0.000 0.867 496 N CB 0.027 38.606 38.487 0.154 0.000 0.974 496 N HN 1.000 nan 8.380 nan 0.000 0.477 497 A N 0.957 123.884 122.820 0.179 0.000 2.477 497 A HA 0.447 4.776 4.320 0.015 0.000 0.246 497 A C -0.408 177.349 177.584 0.287 0.000 1.078 497 A CA -0.241 51.883 52.037 0.145 0.000 0.770 497 A CB -0.464 18.603 19.000 0.112 0.000 1.011 497 A HN 0.476 nan 8.150 nan 0.000 0.494 498 F N 0.495 120.535 119.950 0.150 0.000 2.668 498 F HA 0.770 5.306 4.527 0.015 0.000 0.309 498 F C -1.065 174.879 175.800 0.240 0.000 1.117 498 F CA -1.457 56.656 58.000 0.188 0.000 0.951 498 F CB 0.962 40.008 39.000 0.076 0.000 1.323 498 F HN 0.796 nan 8.300 nan 0.000 0.451 499 Y N -0.722 119.749 120.300 0.284 0.000 2.689 499 Y HA 0.770 5.329 4.550 0.014 0.000 0.333 499 Y C -1.494 174.512 175.900 0.176 0.000 1.190 499 Y CA -1.770 56.408 58.100 0.129 0.000 1.063 499 Y CB 1.063 39.554 38.460 0.053 0.000 1.294 499 Y HN 0.823 nan 8.280 nan 0.000 0.466 500 S N 0.879 116.620 115.700 0.069 0.000 2.438 500 S HA 0.295 4.774 4.470 0.015 0.000 0.316 500 S C -0.983 173.603 174.600 -0.023 0.000 1.084 500 S CA -0.563 57.603 58.200 -0.056 0.000 1.107 500 S CB 0.202 63.420 63.200 0.030 0.000 0.981 500 S HN 0.711 nan 8.310 nan 0.000 0.466 501 E N 3.969 124.063 120.200 -0.178 0.000 2.152 501 E HA 0.215 4.574 4.350 0.015 0.000 0.285 501 E C -0.523 176.069 176.600 -0.013 0.000 1.043 501 E CA -0.392 56.009 56.400 0.001 0.000 0.839 501 E CB 0.520 30.201 29.700 -0.032 0.000 1.069 501 E HN 0.513 nan 8.360 nan 0.000 0.399 502 K N 3.489 123.897 120.400 0.013 0.000 2.240 502 K HA 0.228 4.557 4.320 0.015 0.000 0.271 502 K C -1.206 175.388 176.600 -0.009 0.000 1.018 502 K CA -0.400 55.866 56.287 -0.036 0.000 0.874 502 K CB 1.179 33.628 32.500 -0.084 0.000 1.098 502 K HN 0.360 nan 8.250 nan 0.000 0.458 503 T N 3.448 117.994 114.554 -0.012 0.000 2.853 503 T HA 0.135 4.494 4.350 0.015 0.000 0.317 503 T C -0.497 174.186 174.700 -0.029 0.000 1.059 503 T CA -0.420 61.706 62.100 0.043 0.000 0.954 503 T CB 0.986 69.931 68.868 0.129 0.000 0.994 503 T HN 0.484 nan 8.240 nan 0.000 0.479 504 T N 4.702 119.276 114.554 0.034 0.000 2.834 504 T HA 0.262 4.621 4.350 0.015 0.000 0.298 504 T C 0.162 174.963 174.700 0.169 0.000 0.966 504 T CA -0.236 61.902 62.100 0.064 0.000 1.141 504 T CB -0.163 68.828 68.868 0.205 0.000 0.905 504 T HN 0.254 nan 8.240 nan 0.000 0.535 505 F N 3.638 123.713 119.950 0.209 0.000 2.506 505 F HA 0.285 4.820 4.527 0.012 0.000 0.371 505 F C 1.495 177.364 175.800 0.114 0.000 1.078 505 F CA -0.993 57.096 58.000 0.149 0.000 1.195 505 F CB 0.471 39.560 39.000 0.147 0.000 1.099 505 F HN 0.407 nan 8.300 nan 0.000 0.548 506 K N 0.827 121.396 120.400 0.282 0.000 2.214 506 K HA 0.078 4.407 4.320 0.015 0.000 0.201 506 K C 0.821 177.503 176.600 0.136 0.000 1.049 506 K CA 0.807 57.198 56.287 0.174 0.000 0.978 506 K CB -0.116 32.464 32.500 0.133 0.000 0.842 506 K HN 0.702 nan 8.250 nan 0.000 0.474 507 T N -2.658 111.966 114.554 0.117 0.000 2.930 507 T HA 0.353 4.712 4.350 0.015 0.000 0.290 507 T C 1.460 176.182 174.700 0.037 0.000 1.052 507 T CA -0.771 61.372 62.100 0.070 0.000 1.017 507 T CB 1.785 70.681 68.868 0.047 0.000 1.137 507 T HN -0.229 nan 8.240 nan 0.000 0.511 508 V N 1.436 121.360 119.914 0.016 0.000 2.277 508 V HA -0.243 3.886 4.120 0.015 0.000 0.253 508 V C 2.866 178.899 176.094 -0.102 0.000 1.067 508 V CA 2.571 64.855 62.300 -0.028 0.000 1.047 508 V CB -0.918 30.901 31.823 -0.006 0.000 0.649 508 V HN 1.054 nan 8.190 nan 0.000 0.447 509 K N -0.290 120.065 120.400 -0.074 0.000 2.113 509 K HA -0.258 4.071 4.320 0.015 0.000 0.208 509 K C 1.822 178.330 176.600 -0.153 0.000 1.047 509 K CA 1.982 58.207 56.287 -0.104 0.000 0.928 509 K CB -0.288 32.182 32.500 -0.050 0.000 0.716 509 K HN 0.530 nan 8.250 nan 0.000 0.446 510 D N -0.002 120.330 120.400 -0.115 0.000 2.182 510 D HA -0.139 4.510 4.640 0.015 0.000 0.201 510 D C 1.921 177.908 176.300 -0.521 0.000 0.986 510 D CA 1.615 55.543 54.000 -0.119 0.000 0.847 510 D CB -0.133 40.723 40.800 0.094 0.000 0.942 510 D HN 0.375 nan 8.370 nan 0.000 0.467 511 S N 0.018 115.242 115.700 -0.794 0.000 2.461 511 S HA -0.031 4.448 4.470 0.015 0.000 0.228 511 S C 1.262 175.377 174.600 -0.809 0.000 1.005 511 S CA -0.086 57.202 58.200 -1.521 0.000 0.942 511 S CB -0.437 62.263 63.200 -0.834 0.000 0.776 511 S HN 0.165 nan 8.310 nan 0.000 0.514 512 L N 3.762 124.670 121.223 -0.525 0.000 2.536 512 L HA 0.276 4.625 4.340 0.015 0.000 0.282 512 L C 0.184 176.877 176.870 -0.295 0.000 1.174 512 L CA -0.170 54.342 54.840 -0.546 0.000 0.989 512 L CB -0.801 40.788 42.059 -0.783 0.000 1.311 512 L HN 0.405 nan 8.230 nan 0.000 0.455 513 T N -1.164 113.388 114.554 -0.003 0.000 2.903 513 T HA 0.515 4.874 4.350 0.015 0.000 0.299 513 T C -0.420 174.565 174.700 0.475 0.000 1.093 513 T CA -1.102 61.174 62.100 0.293 0.000 1.002 513 T CB 2.353 71.505 68.868 0.473 0.000 1.127 513 T HN 0.171 nan 8.240 nan 0.000 0.488 514 N N 0.248 119.235 118.700 0.478 0.000 2.404 514 N HA 0.360 5.109 4.740 0.015 0.000 0.297 514 N C -1.119 174.770 175.510 0.633 0.000 1.163 514 N CA -0.669 52.684 53.050 0.505 0.000 0.864 514 N CB 1.150 39.822 38.487 0.307 0.000 1.247 514 N HN 0.767 nan 8.380 nan 0.000 0.510 515 Y N 1.033 121.704 120.300 0.618 0.000 2.702 515 Y HA -0.019 4.540 4.550 0.015 0.000 0.336 515 Y C -0.168 175.862 175.900 0.217 0.000 1.235 515 Y CA 0.615 59.000 58.100 0.475 0.000 1.492 515 Y CB 0.477 39.231 38.460 0.490 0.000 1.308 515 Y HN 0.302 nan 8.280 nan 0.000 0.589 516 E N 3.833 123.516 120.200 -0.863 0.000 2.255 516 E HA 0.129 4.489 4.350 0.015 0.000 0.256 516 E C 0.488 176.552 176.600 -0.892 0.000 0.887 516 E CA 0.051 56.070 56.400 -0.635 0.000 0.782 516 E CB 1.580 31.100 29.700 -0.299 0.000 1.214 516 E HN 0.806 nan 8.360 nan 0.000 0.417 517 S N 1.780 117.131 115.700 -0.581 0.000 2.399 517 S HA -0.190 4.289 4.470 0.015 0.000 0.231 517 S C 1.860 176.360 174.600 -0.166 0.000 1.022 517 S CA 1.057 59.112 58.200 -0.241 0.000 0.983 517 S CB -0.100 63.103 63.200 0.005 0.000 0.803 517 S HN 0.485 nan 8.310 nan 0.000 0.480 518 A N 1.775 124.497 122.820 -0.163 0.000 2.070 518 A HA 0.008 4.337 4.320 0.015 0.000 0.220 518 A C 2.279 179.783 177.584 -0.133 0.000 1.159 518 A CA 1.762 53.730 52.037 -0.114 0.000 0.656 518 A CB -0.928 18.018 19.000 -0.090 0.000 0.800 518 A HN 0.800 nan 8.150 nan 0.000 0.453 519 T N -5.387 109.058 114.554 -0.181 0.000 3.091 519 T HA 0.432 4.791 4.350 0.015 0.000 0.277 519 T C 1.061 175.659 174.700 -0.169 0.000 0.996 519 T CA 0.871 62.866 62.100 -0.174 0.000 0.897 519 T CB -0.069 68.692 68.868 -0.177 0.000 1.109 519 T HN 1.605 nan 8.240 nan 0.000 0.534 520 G N 2.816 111.522 108.800 -0.157 0.000 2.395 520 G HA2 -0.346 3.623 3.960 0.015 0.000 0.300 520 G HA3 -0.346 3.623 3.960 0.015 0.000 0.300 520 G C 0.026 174.908 174.900 -0.030 0.000 0.998 520 G CA 0.336 45.415 45.100 -0.034 0.000 1.046 520 G HN 0.935 nan 8.290 nan 0.000 0.513 521 R N 0.047 120.424 120.500 -0.205 0.000 2.585 521 R HA 0.370 4.719 4.340 0.015 0.000 0.275 521 R C 0.884 177.054 176.300 -0.216 0.000 1.018 521 R CA 0.762 56.683 56.100 -0.298 0.000 1.072 521 R CB 0.263 30.252 30.300 -0.518 0.000 0.953 521 R HN 0.585 nan 8.270 nan 0.000 0.419 522 S N 3.861 119.382 115.700 -0.298 0.000 2.715 522 S HA 0.604 5.083 4.470 0.015 0.000 0.307 522 S C -1.084 173.365 174.600 -0.252 0.000 1.119 522 S CA -1.005 57.107 58.200 -0.146 0.000 0.937 522 S CB 1.408 64.627 63.200 0.032 0.000 1.150 522 S HN 0.638 nan 8.310 nan 0.000 0.521 523 W N 0.564 121.969 121.300 0.175 0.000 2.785 523 W HA 0.400 5.068 4.660 0.014 0.000 0.333 523 W C -1.370 175.240 176.519 0.152 0.000 1.062 523 W CA -0.493 56.986 57.345 0.224 0.000 1.233 523 W CB 2.060 31.788 29.460 0.446 0.000 1.413 523 W HN 0.614 nan 8.180 nan 0.000 0.489 524 D N 2.290 122.905 120.400 0.358 0.000 2.163 524 D HA 0.514 5.163 4.640 0.015 0.000 0.248 524 D C -0.314 176.228 176.300 0.404 0.000 1.035 524 D CA -0.282 53.906 54.000 0.313 0.000 0.872 524 D CB 2.088 43.032 40.800 0.240 0.000 1.183 524 D HN 0.098 nan 8.370 nan 0.000 0.445 525 I N 2.866 123.627 120.570 0.317 0.000 2.389 525 I HA 0.424 4.604 4.170 0.015 0.000 0.288 525 I C -0.567 175.759 176.117 0.348 0.000 0.999 525 I CA -0.927 60.531 61.300 0.263 0.000 1.129 525 I CB 0.528 38.593 38.000 0.108 0.000 1.288 525 I HN 0.227 nan 8.210 nan 0.000 0.444 526 F N 3.827 123.857 119.950 0.133 0.000 2.664 526 F HA 0.585 5.119 4.527 0.012 0.000 0.317 526 F C -0.914 174.943 175.800 0.095 0.000 1.108 526 F CA -1.125 56.946 58.000 0.119 0.000 0.957 526 F CB 1.261 40.312 39.000 0.085 0.000 1.365 526 F HN 0.211 nan 8.300 nan 0.000 0.475 527 N N 2.523 121.377 118.700 0.257 0.000 2.546 527 N HA 0.372 5.121 4.740 0.015 0.000 0.238 527 N C -2.126 173.502 175.510 0.196 0.000 0.984 527 N CA -2.646 50.472 53.050 0.112 0.000 0.935 527 N CB 1.500 40.036 38.487 0.081 0.000 1.122 527 N HN 0.422 nan 8.380 nan 0.000 0.510 528 P HA 0.003 nan 4.420 nan 0.000 0.237 528 P C 0.170 177.535 177.300 0.109 0.000 1.178 528 P CA 0.649 63.885 63.100 0.227 0.000 0.766 528 P CB 0.486 32.299 31.700 0.188 0.000 0.876 529 N N -0.037 118.700 118.700 0.063 0.000 2.412 529 N HA 0.046 4.795 4.740 0.015 0.000 0.184 529 N C 0.540 176.059 175.510 0.016 0.000 1.101 529 N CA 0.579 53.647 53.050 0.030 0.000 0.881 529 N CB 0.459 38.953 38.487 0.013 0.000 0.969 529 N HN 0.356 nan 8.380 nan 0.000 0.459 530 K N 0.314 120.727 120.400 0.021 0.000 2.443 530 K HA 0.615 4.944 4.320 0.015 0.000 0.251 530 K C -1.110 175.484 176.600 -0.011 0.000 0.972 530 K CA -0.699 55.580 56.287 -0.013 0.000 0.833 530 K CB 3.168 35.640 32.500 -0.046 0.000 1.317 530 K HN -0.322 nan 8.250 nan 0.000 0.441 531 V N 1.405 121.297 119.914 -0.037 0.000 2.668 531 V HA 0.187 4.316 4.120 0.015 0.000 0.304 531 V C -0.613 175.447 176.094 -0.056 0.000 1.071 531 V CA -1.157 61.122 62.300 -0.036 0.000 0.894 531 V CB 1.797 33.605 31.823 -0.025 0.000 1.008 531 V HN 0.752 nan 8.190 nan 0.000 0.425 532 N N 6.656 125.329 118.700 -0.045 0.000 2.452 532 N HA 0.125 4.875 4.740 0.015 0.000 0.266 532 N C -1.398 174.097 175.510 -0.025 0.000 1.209 532 N CA -1.118 51.906 53.050 -0.044 0.000 0.929 532 N CB 1.966 40.476 38.487 0.039 0.000 1.063 532 N HN 0.389 nan 8.380 nan 0.000 0.472 533 P HA -0.101 nan 4.420 nan 0.000 0.226 533 P C 0.557 177.946 177.300 0.149 0.000 1.153 533 P CA 1.101 64.189 63.100 -0.020 0.000 0.777 533 P CB 0.183 31.821 31.700 -0.104 0.000 0.794 534 Y N 1.301 121.607 120.300 0.010 0.000 2.190 534 Y HA -0.027 4.532 4.550 0.015 0.000 0.290 534 Y C 2.895 178.809 175.900 0.024 0.000 1.115 534 Y CA 1.012 59.121 58.100 0.014 0.000 1.107 534 Y CB -1.478 36.992 38.460 0.017 0.000 1.033 534 Y HN 0.053 nan 8.280 nan 0.000 0.502 535 S N -0.997 114.845 115.700 0.236 0.000 2.489 535 S HA 0.169 4.648 4.470 0.015 0.000 0.228 535 S C 1.898 176.535 174.600 0.062 0.000 0.995 535 S CA 0.727 59.027 58.200 0.168 0.000 0.934 535 S CB -0.407 62.984 63.200 0.318 0.000 0.771 535 S HN 0.672 nan 8.310 nan 0.000 0.522 536 G N 0.995 109.820 108.800 0.042 0.000 2.184 536 G HA2 -0.221 3.748 3.960 0.015 0.000 0.264 536 G HA3 -0.221 3.748 3.960 0.015 0.000 0.264 536 G C -0.002 174.854 174.900 -0.073 0.000 0.975 536 G CA 0.430 45.523 45.100 -0.012 0.000 0.642 536 G HN 0.522 nan 8.290 nan 0.000 0.536 537 K N 0.812 121.130 120.400 -0.137 0.000 2.095 537 K HA 0.556 4.885 4.320 0.015 0.000 0.252 537 K C -2.320 174.179 176.600 -0.168 0.000 0.977 537 K CA -2.181 53.941 56.287 -0.275 0.000 0.900 537 K CB 1.597 33.661 32.500 -0.725 0.000 1.060 537 K HN 0.137 nan 8.250 nan 0.000 0.449 538 P HA 0.170 nan 4.420 nan 0.000 0.274 538 P C -2.537 174.791 177.300 0.046 0.000 1.231 538 P CA -1.441 61.651 63.100 -0.012 0.000 0.790 538 P CB -0.274 31.488 31.700 0.103 0.000 0.951 539 P HA 0.052 nan 4.420 nan 0.000 0.271 539 P C -0.289 177.184 177.300 0.288 0.000 1.216 539 P CA 0.400 63.562 63.100 0.104 0.000 0.771 539 P CB 0.460 32.083 31.700 -0.129 0.000 0.864 540 S N 2.156 118.070 115.700 0.357 0.000 2.579 540 S HA 0.576 5.055 4.470 0.015 0.000 0.272 540 S C -1.578 173.193 174.600 0.285 0.000 1.141 540 S CA -0.679 57.736 58.200 0.358 0.000 0.843 540 S CB 1.032 64.394 63.200 0.270 0.000 1.122 540 S HN 0.229 nan 8.310 nan 0.000 0.468 541 Y N 1.242 121.596 120.300 0.091 0.000 2.331 541 Y HA 0.568 5.126 4.550 0.015 0.000 0.338 541 Y C 0.333 176.276 175.900 0.072 0.000 0.992 541 Y CA -0.547 57.563 58.100 0.017 0.000 1.121 541 Y CB 1.741 40.172 38.460 -0.049 0.000 1.184 541 Y HN 0.811 nan 8.280 nan 0.000 0.469 542 K N 4.403 124.855 120.400 0.087 0.000 2.213 542 K HA 0.442 4.771 4.320 0.015 0.000 0.270 542 K C -1.387 175.269 176.600 0.094 0.000 1.002 542 K CA -0.913 55.437 56.287 0.105 0.000 0.868 542 K CB 0.841 33.383 32.500 0.069 0.000 1.093 542 K HN 0.636 nan 8.250 nan 0.000 0.454 543 L N 5.722 127.014 121.223 0.115 0.000 2.315 543 L HA 0.240 4.589 4.340 0.015 0.000 0.283 543 L C -1.331 175.637 176.870 0.163 0.000 1.089 543 L CA 0.010 54.892 54.840 0.071 0.000 0.833 543 L CB 1.125 43.175 42.059 -0.014 0.000 1.170 543 L HN 0.373 nan 8.230 nan 0.000 0.442 544 V N 4.991 124.950 119.914 0.075 0.000 2.313 544 V HA 0.578 4.707 4.120 0.015 0.000 0.278 544 V C -0.088 176.026 176.094 0.033 0.000 1.017 544 V CA -0.247 62.099 62.300 0.076 0.000 0.823 544 V CB 0.913 32.757 31.823 0.036 0.000 1.010 544 V HN 0.841 nan 8.190 nan 0.000 0.443 545 S N 2.852 118.599 115.700 0.077 0.000 2.689 545 S HA 0.443 4.922 4.470 0.015 0.000 0.274 545 S C 0.511 175.053 174.600 -0.097 0.000 1.176 545 S CA 0.216 58.443 58.200 0.045 0.000 1.014 545 S CB 1.757 65.045 63.200 0.147 0.000 1.071 545 S HN 0.915 nan 8.310 nan 0.000 0.478 546 T N 1.419 115.843 114.554 -0.216 0.000 2.975 546 T HA 0.280 4.640 4.350 0.015 0.000 0.257 546 T C 0.409 174.975 174.700 -0.223 0.000 1.003 546 T CA -0.047 61.723 62.100 -0.549 0.000 0.932 546 T CB -0.134 68.499 68.868 -0.392 0.000 1.087 546 T HN 0.580 nan 8.240 nan 0.000 0.512 547 Q N 1.069 120.860 119.800 -0.014 0.000 3.026 547 Q HA 0.345 4.694 4.340 0.015 0.000 0.258 547 Q C -0.898 175.220 176.000 0.197 0.000 1.388 547 Q CA -0.457 55.410 55.803 0.106 0.000 1.000 547 Q CB -0.386 28.436 28.738 0.141 0.000 1.634 547 Q HN 0.450 nan 8.270 nan 0.000 0.571 548 C N 2.860 122.266 119.300 0.177 0.000 3.003 548 C HA 0.346 4.815 4.460 0.015 0.000 0.241 548 C C -2.138 172.989 174.990 0.229 0.000 1.224 548 C CA -1.808 57.358 59.018 0.247 0.000 1.560 548 C CB -0.495 27.464 27.740 0.365 0.000 1.768 548 C HN 0.551 nan 8.230 nan 0.000 0.440 549 P HA 0.257 nan 4.420 nan 0.000 0.271 549 P C -2.204 175.157 177.300 0.102 0.000 1.218 549 P CA -0.708 62.468 63.100 0.126 0.000 0.780 549 P CB 0.085 31.831 31.700 0.077 0.000 0.901 550 P HA 0.056 nan 4.420 nan 0.000 0.272 550 P C -0.595 176.696 177.300 -0.015 0.000 1.223 550 P CA -0.302 62.821 63.100 0.038 0.000 0.784 550 P CB 0.496 32.221 31.700 0.041 0.000 0.923 551 L N 3.179 124.360 121.223 -0.070 0.000 2.433 551 L HA 0.044 4.393 4.340 0.015 0.000 0.275 551 L C 1.172 177.985 176.870 -0.095 0.000 1.128 551 L CA 0.398 55.167 54.840 -0.118 0.000 0.875 551 L CB -0.531 41.414 42.059 -0.189 0.000 1.171 551 L HN 0.330 nan 8.230 nan 0.000 0.463 552 L N 4.797 125.972 121.223 -0.081 0.000 2.240 552 L HA 0.158 4.507 4.340 0.015 0.000 0.211 552 L C 1.405 178.230 176.870 -0.075 0.000 1.106 552 L CA 0.402 55.211 54.840 -0.051 0.000 0.793 552 L CB -0.462 41.585 42.059 -0.019 0.000 0.927 552 L HN 0.824 nan 8.230 nan 0.000 0.446 553 A N 0.769 123.521 122.820 -0.114 0.000 2.531 553 A HA 0.119 4.448 4.320 0.015 0.000 0.236 553 A C 0.238 177.741 177.584 -0.134 0.000 1.062 553 A CA 0.001 51.956 52.037 -0.137 0.000 0.760 553 A CB 0.021 18.913 19.000 -0.179 0.000 0.995 553 A HN 0.127 nan 8.150 nan 0.000 0.501 554 K N 1.299 121.625 120.400 -0.123 0.000 2.219 554 K HA 0.181 4.510 4.320 0.015 0.000 0.258 554 K C 0.188 176.711 176.600 -0.128 0.000 1.008 554 K CA 0.003 56.224 56.287 -0.108 0.000 0.928 554 K CB 0.421 32.868 32.500 -0.089 0.000 0.983 554 K HN 0.772 nan 8.250 nan 0.000 0.484 555 E N 0.377 120.510 120.200 -0.112 0.000 2.529 555 E HA -0.061 4.298 4.350 0.015 0.000 0.259 555 E C 0.751 177.280 176.600 -0.118 0.000 0.966 555 E CA 0.997 57.327 56.400 -0.116 0.000 0.937 555 E CB 0.182 29.828 29.700 -0.090 0.000 0.923 555 E HN 0.823 nan 8.360 nan 0.000 0.468 556 G N 2.798 111.515 108.800 -0.139 0.000 2.199 556 G HA2 -0.343 3.626 3.960 0.015 0.000 0.254 556 G HA3 -0.343 3.626 3.960 0.015 0.000 0.254 556 G C 0.404 175.208 174.900 -0.161 0.000 0.982 556 G CA 0.344 45.360 45.100 -0.141 0.000 0.632 556 G HN 0.700 nan 8.290 nan 0.000 0.529 557 S N 0.052 115.647 115.700 -0.175 0.000 2.584 557 S HA 0.538 5.018 4.470 0.015 0.000 0.270 557 S C 1.606 176.053 174.600 -0.255 0.000 1.346 557 S CA 0.095 58.178 58.200 -0.196 0.000 1.018 557 S CB 1.322 64.402 63.200 -0.200 0.000 0.899 557 S HN 0.505 nan 8.310 nan 0.000 0.542 558 L N 2.433 123.495 121.223 -0.268 0.000 2.013 558 L HA -0.114 4.236 4.340 0.015 0.000 0.212 558 L C 2.745 179.336 176.870 -0.464 0.000 1.073 558 L CA 1.486 56.117 54.840 -0.348 0.000 0.753 558 L CB -1.203 40.675 42.059 -0.301 0.000 0.890 558 L HN 0.774 nan 8.230 nan 0.000 0.432 559 V N -0.559 119.048 119.914 -0.511 0.000 2.255 559 V HA -0.350 3.779 4.120 0.015 0.000 0.247 559 V C 2.653 178.524 176.094 -0.371 0.000 1.051 559 V CA 1.891 63.913 62.300 -0.464 0.000 1.018 559 V CB -1.196 30.410 31.823 -0.362 0.000 0.641 559 V HN 0.551 nan 8.190 nan 0.000 0.445 560 A N -0.557 122.066 122.820 -0.328 0.000 1.930 560 A HA -0.213 4.116 4.320 0.015 0.000 0.217 560 A C 2.260 179.652 177.584 -0.319 0.000 1.175 560 A CA 1.885 53.736 52.037 -0.311 0.000 0.627 560 A CB -0.387 18.463 19.000 -0.249 0.000 0.815 560 A HN 0.585 nan 8.150 nan 0.000 0.443 561 K N -0.709 119.485 120.400 -0.343 0.000 2.103 561 K HA -0.012 4.317 4.320 0.015 0.000 0.204 561 K C 2.119 178.410 176.600 -0.514 0.000 1.052 561 K CA 1.124 57.172 56.287 -0.399 0.000 0.945 561 K CB -0.094 32.136 32.500 -0.451 0.000 0.722 561 K HN 0.353 nan 8.250 nan 0.000 0.443 562 R N 0.085 120.297 120.500 -0.480 0.000 2.200 562 R HA 0.101 4.450 4.340 0.015 0.000 0.208 562 R C 0.480 176.735 176.300 -0.076 0.000 1.033 562 R CA 0.608 56.485 56.100 -0.371 0.000 1.000 562 R CB 0.403 30.581 30.300 -0.205 0.000 0.906 562 R HN -0.004 nan 8.270 nan 0.000 0.462 563 A N 1.484 124.138 122.820 -0.277 0.000 3.204 563 A HA 0.295 4.624 4.320 0.015 0.000 0.327 563 A C -2.020 175.130 177.584 -0.723 0.000 0.998 563 A CA -1.248 50.438 52.037 -0.584 0.000 0.891 563 A CB 0.496 18.980 19.000 -0.859 0.000 1.061 563 A HN -0.066 nan 8.150 nan 0.000 0.478 564 P HA -0.173 nan 4.420 nan 0.000 0.219 564 P C 1.446 178.650 177.300 -0.159 0.000 1.146 564 P CA 1.078 64.057 63.100 -0.202 0.000 0.808 564 P CB -0.233 31.429 31.700 -0.063 0.000 0.779 565 W N 0.111 121.367 121.300 -0.075 0.000 2.465 565 W HA 0.208 4.877 4.660 0.014 0.000 0.268 565 W C 1.453 177.971 176.519 -0.002 0.000 1.242 565 W CA 0.642 57.958 57.345 -0.048 0.000 1.248 565 W CB -1.660 27.756 29.460 -0.073 0.000 1.118 565 W HN -0.082 nan 8.180 nan 0.000 0.587 566 A N 1.532 123.959 122.820 -0.656 0.000 2.123 566 A HA -0.066 4.264 4.320 0.015 0.000 0.214 566 A C 2.123 179.540 177.584 -0.278 0.000 1.152 566 A CA 1.422 53.099 52.037 -0.601 0.000 0.728 566 A CB -0.857 17.474 19.000 -1.114 0.000 0.814 566 A HN 0.302 nan 8.150 nan 0.000 0.464 567 S N -0.891 114.651 115.700 -0.264 0.000 2.561 567 S HA 0.074 4.553 4.470 0.015 0.000 0.225 567 S C 0.302 174.631 174.600 -0.452 0.000 0.977 567 S CA 0.064 58.070 58.200 -0.324 0.000 0.926 567 S CB -0.401 62.587 63.200 -0.354 0.000 0.769 567 S HN 0.648 nan 8.310 nan 0.000 0.533 568 H N -0.375 118.699 119.070 0.006 0.000 2.768 568 H HA 0.529 5.095 4.556 0.016 0.000 0.371 568 H C 0.552 175.939 175.328 0.098 0.000 1.151 568 H CA -0.461 55.623 56.048 0.059 0.000 1.165 568 H CB 1.839 31.623 29.762 0.036 0.000 1.722 568 H HN -0.039 nan 8.280 nan 0.000 0.543 569 S N 0.714 116.574 115.700 0.268 0.000 2.399 569 S HA -0.006 4.473 4.470 0.015 0.000 0.231 569 S C 0.494 175.161 174.600 0.111 0.000 1.022 569 S CA 0.691 59.020 58.200 0.214 0.000 0.983 569 S CB 0.254 63.684 63.200 0.384 0.000 0.803 569 S HN 0.258 nan 8.310 nan 0.000 0.480 570 V N 2.429 122.353 119.914 0.017 0.000 2.709 570 V HA 0.425 4.554 4.120 0.015 0.000 0.308 570 V C -1.063 174.920 176.094 -0.184 0.000 1.062 570 V CA -0.961 61.187 62.300 -0.253 0.000 0.901 570 V CB 2.088 33.506 31.823 -0.674 0.000 1.003 570 V HN 0.245 nan 8.190 nan 0.000 0.425 571 N N 3.001 121.586 118.700 -0.191 0.000 2.410 571 N HA 0.573 5.322 4.740 0.015 0.000 0.287 571 N C -1.478 173.966 175.510 -0.111 0.000 1.044 571 N CA -0.314 52.669 53.050 -0.113 0.000 0.881 571 N CB 2.772 41.290 38.487 0.052 0.000 1.405 571 N HN 0.343 nan 8.380 nan 0.000 0.490 572 V N 2.082 121.919 119.914 -0.128 0.000 2.448 572 V HA 0.520 4.649 4.120 0.015 0.000 0.295 572 V C 0.197 176.334 176.094 0.072 0.000 1.025 572 V CA -0.767 61.533 62.300 -0.000 0.000 0.859 572 V CB 1.629 33.479 31.823 0.044 0.000 0.988 572 V HN 0.483 nan 8.190 nan 0.000 0.431 573 V N 3.262 123.262 119.914 0.144 0.000 3.040 573 V HA 0.789 4.918 4.120 0.015 0.000 0.312 573 V C -2.899 173.248 176.094 0.090 0.000 1.115 573 V CA -3.061 59.307 62.300 0.114 0.000 0.998 573 V CB 2.156 34.069 31.823 0.150 0.000 1.042 573 V HN 0.616 nan 8.190 nan 0.000 0.433 574 P HA 0.136 nan 4.420 nan 0.000 0.269 574 P C -1.046 176.250 177.300 -0.007 0.000 1.209 574 P CA 0.235 63.362 63.100 0.045 0.000 0.776 574 P CB 0.002 31.719 31.700 0.028 0.000 0.876 575 Y N 3.153 123.420 120.300 -0.056 0.000 2.526 575 Y HA 0.180 4.738 4.550 0.014 0.000 0.330 575 Y C 0.310 176.136 175.900 -0.123 0.000 1.156 575 Y CA 0.805 58.843 58.100 -0.103 0.000 1.419 575 Y CB 0.336 38.748 38.460 -0.079 0.000 1.250 575 Y HN 0.230 nan 8.280 nan 0.000 0.540 576 K N 4.029 123.846 120.400 -0.971 0.000 2.477 576 K HA 0.286 4.615 4.320 0.015 0.000 0.255 576 K C -1.405 174.544 176.600 -1.084 0.000 0.952 576 K CA -0.761 55.103 56.287 -0.706 0.000 0.826 576 K CB 1.198 33.444 32.500 -0.424 0.000 1.331 576 K HN 0.596 nan 8.250 nan 0.000 0.437 577 D N 2.139 122.260 120.400 -0.465 0.000 2.399 577 D HA 0.039 4.688 4.640 0.015 0.000 0.241 577 D C -0.139 175.971 176.300 -0.318 0.000 1.133 577 D CA 0.743 54.578 54.000 -0.275 0.000 0.890 577 D CB 0.417 41.203 40.800 -0.023 0.000 1.201 577 D HN 0.541 nan 8.370 nan 0.000 0.432 578 N N 1.270 119.804 118.700 -0.276 0.000 2.741 578 N HA -0.229 4.520 4.740 0.015 0.000 0.250 578 N C -0.472 174.834 175.510 -0.339 0.000 1.115 578 N CA 0.485 53.372 53.050 -0.272 0.000 0.724 578 N CB -0.981 37.390 38.487 -0.193 0.000 1.090 578 N HN 0.456 nan 8.380 nan 0.000 0.558 579 R N 0.801 120.982 120.500 -0.532 0.000 3.171 579 R HA 0.332 4.681 4.340 0.015 0.000 0.241 579 R C 1.267 177.217 176.300 -0.584 0.000 1.421 579 R CA -0.166 55.458 56.100 -0.794 0.000 1.444 579 R CB 0.316 29.790 30.300 -1.378 0.000 1.247 579 R HN 0.228 nan 8.270 nan 0.000 0.636 580 L N 0.529 121.525 121.223 -0.380 0.000 2.349 580 L HA 0.185 4.534 4.340 0.015 0.000 0.200 580 L C -0.137 176.636 176.870 -0.162 0.000 1.064 580 L CA 0.568 55.097 54.840 -0.519 0.000 0.821 580 L CB 0.246 41.530 42.059 -1.291 0.000 1.027 580 L HN 0.345 nan 8.230 nan 0.000 0.476 581 Y N 0.806 121.289 120.300 0.305 0.000 2.478 581 Y HA 0.293 4.853 4.550 0.016 0.000 0.329 581 Y C -1.695 174.229 175.900 0.040 0.000 0.967 581 Y CA -3.369 54.806 58.100 0.125 0.000 1.255 581 Y CB 0.152 38.591 38.460 -0.035 0.000 1.103 581 Y HN -0.055 nan 8.280 nan 0.000 0.497 582 P HA -0.023 nan 4.420 nan 0.000 0.233 582 P C 0.533 177.733 177.300 -0.167 0.000 1.167 582 P CA 0.803 63.656 63.100 -0.413 0.000 0.770 582 P CB 0.562 31.973 31.700 -0.483 0.000 0.837 583 S N -0.590 115.136 115.700 0.042 0.000 2.582 583 S HA 0.473 4.953 4.470 0.015 0.000 0.234 583 S C 0.901 175.424 174.600 -0.127 0.000 0.961 583 S CA 0.303 58.603 58.200 0.167 0.000 0.953 583 S CB -0.335 63.096 63.200 0.385 0.000 0.800 583 S HN 0.495 nan 8.310 nan 0.000 0.471 584 G N 1.526 110.175 108.800 -0.252 0.000 2.707 584 G HA2 -0.159 3.810 3.960 0.015 0.000 0.686 584 G HA3 -0.159 3.810 3.960 0.015 0.000 0.686 584 G C -0.365 174.432 174.900 -0.171 0.000 1.315 584 G CA -0.404 44.495 45.100 -0.335 0.000 0.832 584 G HN 0.219 nan 8.290 nan 0.000 0.573 585 D N -0.042 120.236 120.400 -0.203 0.000 2.149 585 D HA 0.046 4.696 4.640 0.015 0.000 0.201 585 D C 0.847 176.868 176.300 -0.465 0.000 0.972 585 D CA 1.439 55.271 54.000 -0.280 0.000 0.835 585 D CB 0.001 40.574 40.800 -0.378 0.000 0.966 585 D HN 0.487 nan 8.370 nan 0.000 0.476 586 H N 0.154 119.191 119.070 -0.055 0.000 2.792 586 H HA 0.260 4.826 4.556 0.015 0.000 0.298 586 H C 0.833 176.142 175.328 -0.032 0.000 1.042 586 H CA -0.316 55.717 56.048 -0.025 0.000 1.300 586 H CB 1.682 31.441 29.762 -0.006 0.000 1.431 586 H HN -0.211 nan 8.280 nan 0.000 0.496 587 V N 3.956 123.916 119.914 0.077 0.000 2.426 587 V HA 0.004 4.133 4.120 0.015 0.000 0.242 587 V C -1.646 174.546 176.094 0.164 0.000 1.036 587 V CA 0.405 62.769 62.300 0.106 0.000 1.044 587 V CB -0.854 30.999 31.823 0.049 0.000 0.688 587 V HN 0.461 nan 8.190 nan 0.000 0.462 588 P HA 0.023 nan 4.420 nan 0.000 0.262 588 P C 0.274 177.683 177.300 0.183 0.000 1.182 588 P CA 0.932 64.090 63.100 0.097 0.000 0.761 588 P CB 0.084 31.811 31.700 0.045 0.000 0.795 589 Q N -1.448 118.491 119.800 0.233 0.000 2.324 589 Q HA -0.230 4.119 4.340 0.015 0.000 0.200 589 Q C -0.201 176.050 176.000 0.418 0.000 0.645 589 Q CA 0.537 56.546 55.803 0.343 0.000 1.377 589 Q CB -1.868 27.019 28.738 0.247 0.000 1.486 589 Q HN 0.524 nan 8.270 nan 0.000 0.796 590 W N 2.439 123.800 121.300 0.101 0.000 2.308 590 W HA 0.210 4.879 4.660 0.014 0.000 0.324 590 W C 1.286 177.656 176.519 -0.248 0.000 1.387 590 W CA 0.387 57.721 57.345 -0.018 0.000 1.250 590 W CB 0.476 29.920 29.460 -0.027 0.000 1.257 590 W HN 0.162 nan 8.180 nan 0.000 0.554 591 S N 3.635 118.857 115.700 -0.796 0.000 2.474 591 S HA 0.067 4.546 4.470 0.015 0.000 0.235 591 S C 1.635 175.424 174.600 -1.352 0.000 0.997 591 S CA 0.872 58.171 58.200 -1.502 0.000 0.949 591 S CB -0.429 62.184 63.200 -0.978 0.000 0.766 591 S HN 1.698 nan 8.310 nan 0.000 0.517 592 G N 0.720 108.241 108.800 -2.132 0.000 2.175 592 G HA2 -0.176 3.793 3.960 0.015 0.000 0.244 592 G HA3 -0.176 3.793 3.960 0.015 0.000 0.244 592 G C -0.469 173.795 174.900 -1.061 0.000 0.982 592 G CA 0.093 43.948 45.100 -2.074 0.000 0.641 592 G HN 0.578 nan 8.290 nan 0.000 0.527 593 D N 1.169 121.194 120.400 -0.626 0.000 2.225 593 D HA 0.555 5.204 4.640 0.015 0.000 0.248 593 D C 0.712 177.152 176.300 0.234 0.000 1.096 593 D CA 1.397 55.315 54.000 -0.136 0.000 0.863 593 D CB 1.341 42.075 40.800 -0.111 0.000 1.156 593 D HN 1.354 nan 8.370 nan 0.000 0.450 594 G N 0.223 109.147 108.800 0.207 0.000 2.375 594 G HA2 -0.065 3.904 3.960 0.015 0.000 0.663 594 G HA3 -0.065 3.904 3.960 0.015 0.000 0.663 594 G C -1.043 173.955 174.900 0.164 0.000 1.391 594 G CA -1.006 44.218 45.100 0.207 0.000 0.949 594 G HN 0.327 nan 8.290 nan 0.000 0.646 595 V N 2.297 122.241 119.914 0.051 0.000 2.299 595 V HA 0.633 4.762 4.120 0.015 0.000 0.255 595 V C 0.794 176.835 176.094 -0.090 0.000 1.100 595 V CA 0.579 62.872 62.300 -0.011 0.000 0.938 595 V CB -0.266 31.549 31.823 -0.013 0.000 1.139 595 V HN 1.028 nan 8.190 nan 0.000 0.490 596 R N 2.902 123.297 120.500 -0.175 0.000 2.752 596 R HA 0.820 5.169 4.340 0.015 0.000 0.271 596 R C 0.447 176.438 176.300 -0.514 0.000 1.026 596 R CA -0.117 55.779 56.100 -0.341 0.000 0.901 596 R CB 1.215 31.224 30.300 -0.485 0.000 1.243 596 R HN 0.791 nan 8.270 nan 0.000 0.463 597 G N 1.257 109.644 108.800 -0.689 0.000 2.594 597 G HA2 -0.436 3.533 3.960 0.015 0.000 0.297 597 G HA3 -0.436 3.533 3.960 0.015 0.000 0.297 597 G C 0.561 174.360 174.900 -1.835 0.000 1.273 597 G CA 0.868 45.267 45.100 -1.168 0.000 0.974 597 G HN 0.776 nan 8.290 nan 0.000 0.552 598 M N 0.464 119.239 119.600 -1.376 0.000 2.149 598 M HA -0.020 4.469 4.480 0.015 0.000 0.261 598 M C 2.418 178.447 176.300 -0.452 0.000 1.064 598 M CA 2.820 57.598 55.300 -0.871 0.000 1.102 598 M CB -0.553 31.836 32.600 -0.351 0.000 1.369 598 M HN 0.625 nan 8.290 nan 0.000 0.408 599 R N -0.397 119.903 120.500 -0.334 0.000 2.081 599 R HA -0.202 4.148 4.340 0.015 0.000 0.235 599 R C 2.245 178.449 176.300 -0.161 0.000 1.131 599 R CA 2.020 58.021 56.100 -0.164 0.000 0.960 599 R CB -0.397 29.864 30.300 -0.065 0.000 0.856 599 R HN 0.661 nan 8.270 nan 0.000 0.436 600 E N -0.474 119.566 120.200 -0.267 0.000 2.051 600 E HA -0.202 4.158 4.350 0.015 0.000 0.192 600 E C 1.458 178.072 176.600 0.022 0.000 0.991 600 E CA 1.393 57.712 56.400 -0.136 0.000 0.799 600 E CB -0.094 29.511 29.700 -0.159 0.000 0.748 600 E HN 0.429 nan 8.360 nan 0.000 0.449 601 W N 0.458 121.707 121.300 -0.085 0.000 2.402 601 W HA -0.021 4.648 4.660 0.014 0.000 0.286 601 W C 2.087 178.566 176.519 -0.066 0.000 1.221 601 W CA 0.216 57.508 57.345 -0.088 0.000 1.257 601 W CB -0.848 28.534 29.460 -0.131 0.000 1.120 601 W HN 0.174 nan 8.180 nan 0.000 0.551 602 I N 0.126 120.762 120.570 0.110 0.000 2.315 602 I HA -0.099 4.080 4.170 0.015 0.000 0.248 602 I C 2.195 178.331 176.117 0.031 0.000 1.117 602 I CA 1.329 62.656 61.300 0.045 0.000 1.404 602 I CB -1.097 36.899 38.000 -0.007 0.000 1.071 602 I HN 0.071 nan 8.210 nan 0.000 0.419 603 G N 2.349 111.164 108.800 0.025 0.000 2.651 603 G HA2 -0.442 3.527 3.960 0.015 0.000 0.315 603 G HA3 -0.442 3.527 3.960 0.015 0.000 0.315 603 G C 0.568 175.472 174.900 0.007 0.000 1.258 603 G CA 0.793 45.904 45.100 0.018 0.000 1.002 603 G HN 0.544 nan 8.290 nan 0.000 0.551 604 D N 1.344 121.750 120.400 0.010 0.000 2.328 604 D HA 0.372 5.021 4.640 0.015 0.000 0.226 604 D C 1.783 178.085 176.300 0.003 0.000 1.066 604 D CA 1.139 55.142 54.000 0.005 0.000 0.861 604 D CB -0.397 40.408 40.800 0.008 0.000 0.912 604 D HN 2.157 nan 8.370 nan 0.000 0.521 605 G N 0.335 109.136 108.800 0.002 0.000 2.179 605 G HA2 -0.373 3.597 3.960 0.015 0.000 0.260 605 G HA3 -0.373 3.597 3.960 0.015 0.000 0.260 605 G C 1.144 176.046 174.900 0.004 0.000 0.977 605 G CA 0.854 45.950 45.100 -0.006 0.000 0.641 605 G HN 0.719 nan 8.290 nan 0.000 0.533 606 S N -0.386 115.322 115.700 0.014 0.000 2.528 606 S HA 0.308 4.787 4.470 0.015 0.000 0.219 606 S C 0.654 175.271 174.600 0.028 0.000 0.985 606 S CA 0.733 58.945 58.200 0.021 0.000 0.914 606 S CB 0.307 63.519 63.200 0.020 0.000 0.776 606 S HN 0.627 nan 8.310 nan 0.000 0.526 607 E N 2.384 122.602 120.200 0.030 0.000 2.383 607 E HA 0.180 4.539 4.350 0.015 0.000 0.264 607 E C -0.290 176.337 176.600 0.044 0.000 1.050 607 E CA -0.439 55.983 56.400 0.036 0.000 0.896 607 E CB 0.267 29.989 29.700 0.037 0.000 0.982 607 E HN 0.380 nan 8.360 nan 0.000 0.424 608 N N 2.410 121.138 118.700 0.046 0.000 2.454 608 N HA -0.015 4.734 4.740 0.015 0.000 0.260 608 N C -0.012 175.537 175.510 0.064 0.000 1.218 608 N CA 0.323 53.407 53.050 0.055 0.000 0.904 608 N CB 0.361 38.877 38.487 0.048 0.000 1.065 608 N HN 0.541 nan 8.380 nan 0.000 0.462 609 I N -1.722 118.898 120.570 0.083 0.000 4.102 609 I HA 0.420 4.599 4.170 0.015 0.000 0.325 609 I C -0.353 175.817 176.117 0.088 0.000 1.471 609 I CA -0.552 60.805 61.300 0.096 0.000 1.133 609 I CB 0.272 38.348 38.000 0.127 0.000 1.184 609 I HN 0.246 nan 8.210 nan 0.000 0.451 610 D N 2.495 122.938 120.400 0.072 0.000 2.274 610 D HA 0.187 4.836 4.640 0.015 0.000 0.239 610 D C 0.308 176.615 176.300 0.012 0.000 1.104 610 D CA 0.070 54.096 54.000 0.043 0.000 0.840 610 D CB 0.622 41.468 40.800 0.075 0.000 1.100 610 D HN 0.236 nan 8.370 nan 0.000 0.477 611 N N 2.442 121.119 118.700 -0.039 0.000 2.671 611 N HA -0.222 4.527 4.740 0.015 0.000 0.261 611 N C -1.385 174.118 175.510 -0.011 0.000 1.053 611 N CA 1.230 54.259 53.050 -0.035 0.000 0.732 611 N CB -0.905 37.578 38.487 -0.006 0.000 0.887 611 N HN 0.532 nan 8.380 nan 0.000 0.546 612 T N -0.594 113.954 114.554 -0.010 0.000 2.648 612 T HA 0.299 4.658 4.350 0.015 0.000 0.304 612 T C -1.905 172.800 174.700 0.010 0.000 1.312 612 T CA -0.581 61.524 62.100 0.008 0.000 1.023 612 T CB 0.679 69.564 68.868 0.027 0.000 1.612 612 T HN 0.070 nan 8.240 nan 0.000 0.487 613 D N 2.351 122.765 120.400 0.022 0.000 2.316 613 D HA 0.472 5.121 4.640 0.015 0.000 0.245 613 D C 0.186 176.547 176.300 0.101 0.000 1.171 613 D CA 0.050 54.065 54.000 0.025 0.000 0.856 613 D CB 0.416 41.208 40.800 -0.013 0.000 1.090 613 D HN 0.617 nan 8.370 nan 0.000 0.476 614 I N -1.680 118.953 120.570 0.105 0.000 3.067 614 I HA 0.620 4.799 4.170 0.015 0.000 0.312 614 I C -1.117 175.104 176.117 0.173 0.000 1.073 614 I CA -1.148 60.238 61.300 0.144 0.000 1.016 614 I CB 1.887 39.972 38.000 0.142 0.000 1.227 614 I HN 0.018 nan 8.210 nan 0.000 0.456 615 L N 2.623 123.952 121.223 0.177 0.000 2.386 615 L HA 0.511 4.861 4.340 0.015 0.000 0.271 615 L C -1.509 175.498 176.870 0.228 0.000 0.993 615 L CA -0.496 54.431 54.840 0.145 0.000 0.819 615 L CB 2.409 44.545 42.059 0.129 0.000 1.294 615 L HN 0.540 nan 8.230 nan 0.000 0.414 616 F N 3.409 123.328 119.950 -0.052 0.000 2.445 616 F HA 0.545 5.080 4.527 0.015 0.000 0.348 616 F C -1.194 174.552 175.800 -0.090 0.000 1.125 616 F CA -0.725 57.293 58.000 0.030 0.000 0.983 616 F CB 0.795 39.800 39.000 0.009 0.000 1.198 616 F HN 0.097 nan 8.300 nan 0.000 0.436 617 F N 5.354 125.356 119.950 0.087 0.000 2.411 617 F HA 0.302 4.838 4.527 0.014 0.000 0.352 617 F C -0.300 175.592 175.800 0.153 0.000 1.123 617 F CA -0.642 57.443 58.000 0.142 0.000 1.044 617 F CB 0.874 39.942 39.000 0.114 0.000 1.135 617 F HN 0.444 nan 8.300 nan 0.000 0.461 618 H N 1.579 120.829 119.070 0.300 0.000 2.481 618 H HA 0.460 5.025 4.556 0.015 0.000 0.333 618 H C -0.853 174.701 175.328 0.377 0.000 1.066 618 H CA -0.623 55.578 56.048 0.255 0.000 1.209 618 H CB 1.200 31.122 29.762 0.268 0.000 1.445 618 H HN 0.504 nan 8.280 nan 0.000 0.488 619 T N 7.418 121.959 114.554 -0.022 0.000 2.767 619 T HA 0.418 4.777 4.350 0.015 0.000 0.288 619 T C -0.809 173.822 174.700 -0.116 0.000 0.963 619 T CA -0.291 61.864 62.100 0.091 0.000 1.019 619 T CB -0.310 68.713 68.868 0.258 0.000 0.923 619 T HN 0.494 nan 8.240 nan 0.000 0.468 620 F N 0.240 120.128 119.950 -0.103 0.000 2.685 620 F HA 0.950 5.486 4.527 0.015 0.000 0.315 620 F C 0.129 176.073 175.800 0.240 0.000 1.126 620 F CA -0.750 57.236 58.000 -0.022 0.000 0.950 620 F CB 1.095 40.044 39.000 -0.086 0.000 1.360 620 F HN 0.884 nan 8.300 nan 0.000 0.469 621 G N 0.441 109.374 108.800 0.222 0.000 2.373 621 G HA2 0.416 4.385 3.960 0.015 0.000 0.250 621 G HA3 0.416 4.385 3.960 0.015 0.000 0.250 621 G C -1.967 173.058 174.900 0.207 0.000 1.304 621 G CA -0.309 44.929 45.100 0.230 0.000 0.948 621 G HN 1.574 nan 8.290 nan 0.000 0.474 622 I N -2.881 117.798 120.570 0.182 0.000 3.074 622 I HA 0.875 5.054 4.170 0.015 0.000 0.310 622 I C -0.711 175.435 176.117 0.049 0.000 1.153 622 I CA -1.032 60.337 61.300 0.115 0.000 0.993 622 I CB 2.359 40.412 38.000 0.089 0.000 1.237 622 I HN 0.472 nan 8.210 nan 0.000 0.443 623 T N 1.293 115.837 114.554 -0.016 0.000 2.786 623 T HA 0.330 4.689 4.350 0.015 0.000 0.283 623 T C -1.018 173.522 174.700 -0.267 0.000 0.992 623 T CA -0.155 61.835 62.100 -0.183 0.000 0.954 623 T CB 0.085 68.867 68.868 -0.144 0.000 0.934 623 T HN 0.644 nan 8.240 nan 0.000 0.440 624 H N 3.011 121.715 119.070 -0.610 0.000 2.541 624 H HA 0.437 5.002 4.556 0.015 0.000 0.316 624 H C -1.167 173.755 175.328 -0.676 0.000 1.043 624 H CA -1.105 54.621 56.048 -0.537 0.000 1.232 624 H CB 0.326 29.707 29.762 -0.634 0.000 1.406 624 H HN 0.434 nan 8.280 nan 0.000 0.469 625 F N 6.786 126.832 119.950 0.160 0.000 2.308 625 F HA 0.286 4.822 4.527 0.015 0.000 0.370 625 F C -1.991 173.885 175.800 0.126 0.000 1.100 625 F CA -2.401 55.641 58.000 0.070 0.000 1.108 625 F CB 0.860 39.897 39.000 0.061 0.000 1.293 625 F HN 0.528 nan 8.300 nan 0.000 0.478 626 P HA 0.289 nan 4.420 nan 0.000 0.268 626 P C -0.724 176.681 177.300 0.174 0.000 1.208 626 P CA -0.050 63.120 63.100 0.116 0.000 0.777 626 P CB 0.868 32.566 31.700 -0.002 0.000 0.875 627 A N 3.381 126.313 122.820 0.186 0.000 2.527 627 A HA 0.614 4.943 4.320 0.015 0.000 0.293 627 A C -2.146 175.521 177.584 0.140 0.000 1.117 627 A CA -1.435 50.684 52.037 0.138 0.000 0.723 627 A CB 0.728 19.807 19.000 0.131 0.000 1.313 627 A HN 0.246 nan 8.150 nan 0.000 0.411 628 P HA -0.125 nan 4.420 nan 0.000 0.219 628 P C 0.736 178.140 177.300 0.174 0.000 1.146 628 P CA 1.429 64.621 63.100 0.152 0.000 0.808 628 P CB 0.257 32.030 31.700 0.122 0.000 0.779 629 E N -0.472 119.806 120.200 0.130 0.000 2.219 629 E HA -0.183 4.176 4.350 0.015 0.000 0.198 629 E C 1.349 178.018 176.600 0.115 0.000 0.998 629 E CA 1.154 57.617 56.400 0.105 0.000 0.818 629 E CB -0.813 28.933 29.700 0.077 0.000 0.741 629 E HN 0.331 nan 8.360 nan 0.000 0.477 630 D N -1.066 119.434 120.400 0.166 0.000 2.363 630 D HA -0.015 4.634 4.640 0.015 0.000 0.220 630 D C -0.247 176.180 176.300 0.213 0.000 0.994 630 D CA 0.467 54.577 54.000 0.184 0.000 0.890 630 D CB 0.092 41.058 40.800 0.277 0.000 0.906 630 D HN 0.062 nan 8.370 nan 0.000 0.530 631 F N 0.754 120.726 119.950 0.037 0.000 2.561 631 F HA 0.318 4.854 4.527 0.015 0.000 0.321 631 F C -1.708 174.102 175.800 0.017 0.000 1.065 631 F CA -2.374 55.640 58.000 0.023 0.000 0.934 631 F CB 2.074 41.104 39.000 0.049 0.000 1.215 631 F HN -0.307 nan 8.300 nan 0.000 0.471 632 P HA 0.042 nan 4.420 nan 0.000 0.241 632 P C -0.680 176.263 177.300 -0.596 0.000 1.191 632 P CA 0.740 63.102 63.100 -1.230 0.000 0.771 632 P CB 0.678 31.908 31.700 -0.784 0.000 0.929 633 L N -0.393 120.592 121.223 -0.397 0.000 2.436 633 L HA 0.512 4.861 4.340 0.015 0.000 0.268 633 L C -0.816 175.900 176.870 -0.257 0.000 0.974 633 L CA -1.277 53.284 54.840 -0.464 0.000 0.826 633 L CB 2.192 43.712 42.059 -0.899 0.000 1.291 633 L HN -0.255 nan 8.230 nan 0.000 0.406 634 M N 6.713 126.201 119.600 -0.186 0.000 2.144 634 M HA 0.511 5.000 4.480 0.015 0.000 0.356 634 M C -2.247 173.985 176.300 -0.115 0.000 1.217 634 M CA -1.476 53.772 55.300 -0.086 0.000 1.087 634 M CB 1.249 33.840 32.600 -0.016 0.000 1.609 634 M HN 0.457 nan 8.290 nan 0.000 0.467 635 P HA 0.086 nan 4.420 nan 0.000 0.269 635 P C -1.214 176.031 177.300 -0.092 0.000 1.209 635 P CA -0.162 62.887 63.100 -0.085 0.000 0.776 635 P CB 0.443 32.110 31.700 -0.055 0.000 0.876 636 A N 2.080 124.844 122.820 -0.094 0.000 2.540 636 A HA 0.068 4.397 4.320 0.015 0.000 0.239 636 A C 0.345 177.870 177.584 -0.098 0.000 1.061 636 A CA 0.258 52.235 52.037 -0.100 0.000 0.758 636 A CB -0.526 18.427 19.000 -0.078 0.000 0.991 636 A HN 0.603 nan 8.150 nan 0.000 0.502 637 E N 3.567 123.693 120.200 -0.123 0.000 2.145 637 E HA 0.466 4.825 4.350 0.015 0.000 0.270 637 E C -2.641 173.901 176.600 -0.097 0.000 0.906 637 E CA -2.250 54.078 56.400 -0.121 0.000 0.761 637 E CB 1.607 31.199 29.700 -0.179 0.000 1.116 637 E HN 0.496 nan 8.360 nan 0.000 0.408 638 P HA 0.304 nan 4.420 nan 0.000 0.284 638 P C -0.716 176.564 177.300 -0.033 0.000 1.253 638 P CA -0.229 62.838 63.100 -0.056 0.000 0.800 638 P CB 1.221 32.886 31.700 -0.058 0.000 0.961 639 I N 0.824 121.379 120.570 -0.025 0.000 2.686 639 I HA 0.542 4.721 4.170 0.015 0.000 0.295 639 I C 0.044 176.142 176.117 -0.033 0.000 1.114 639 I CA -0.536 60.775 61.300 0.019 0.000 1.038 639 I CB 2.618 40.669 38.000 0.085 0.000 1.238 639 I HN 0.272 nan 8.210 nan 0.000 0.420 640 T N 5.524 120.048 114.554 -0.051 0.000 2.889 640 T HA 0.803 5.162 4.350 0.015 0.000 0.315 640 T C -1.812 172.765 174.700 -0.205 0.000 1.291 640 T CA -0.478 61.533 62.100 -0.147 0.000 1.028 640 T CB 1.584 70.381 68.868 -0.117 0.000 1.235 640 T HN 0.534 nan 8.240 nan 0.000 0.491 641 L N 1.233 122.278 121.223 -0.297 0.000 2.469 641 L HA 0.959 5.308 4.340 0.015 0.000 0.256 641 L C -1.108 175.634 176.870 -0.213 0.000 1.006 641 L CA -1.030 53.647 54.840 -0.271 0.000 0.832 641 L CB 2.101 43.895 42.059 -0.441 0.000 1.421 641 L HN 0.818 nan 8.230 nan 0.000 0.410 642 M N 2.175 121.693 119.600 -0.137 0.000 2.518 642 M HA 0.737 5.226 4.480 0.015 0.000 0.300 642 M C -2.108 174.166 176.300 -0.042 0.000 1.175 642 M CA -0.498 54.749 55.300 -0.088 0.000 0.890 642 M CB 2.300 34.870 32.600 -0.051 0.000 1.710 642 M HN 0.718 nan 8.290 nan 0.000 0.453 643 L N 4.486 125.720 121.223 0.019 0.000 2.345 643 L HA 0.579 4.928 4.340 0.015 0.000 0.274 643 L C -0.842 176.140 176.870 0.187 0.000 0.999 643 L CA -0.417 54.513 54.840 0.151 0.000 0.849 643 L CB 1.472 43.695 42.059 0.273 0.000 1.220 643 L HN 0.696 nan 8.230 nan 0.000 0.422 644 R N 4.113 124.618 120.500 0.008 0.000 2.460 644 R HA 0.482 4.831 4.340 0.015 0.000 0.303 644 R C -2.558 173.390 176.300 -0.588 0.000 0.968 644 R CA -1.919 54.073 56.100 -0.180 0.000 0.889 644 R CB 1.438 31.680 30.300 -0.097 0.000 1.123 644 R HN 0.241 nan 8.270 nan 0.000 0.455 645 P HA 0.103 nan 4.420 nan 0.000 0.276 645 P C -0.945 176.156 177.300 -0.332 0.000 1.235 645 P CA -0.179 62.325 63.100 -0.994 0.000 0.772 645 P CB 0.853 32.172 31.700 -0.635 0.000 0.871 646 R N 3.122 123.506 120.500 -0.193 0.000 2.502 646 R HA 0.267 4.616 4.340 0.015 0.000 0.298 646 R C 0.550 176.868 176.300 0.031 0.000 1.018 646 R CA -0.649 55.384 56.100 -0.112 0.000 0.899 646 R CB 0.286 30.564 30.300 -0.037 0.000 1.181 646 R HN 0.676 nan 8.270 nan 0.000 0.444 647 H N 0.855 119.944 119.070 0.031 0.000 3.415 647 H HA -0.228 4.338 4.556 0.017 0.000 0.213 647 H C 0.805 176.129 175.328 -0.008 0.000 1.091 647 H CA 1.282 57.341 56.048 0.018 0.000 1.182 647 H CB -1.169 28.592 29.762 -0.002 0.000 1.160 647 H HN 0.537 nan 8.280 nan 0.000 0.319 648 F N 0.689 120.568 119.950 -0.119 0.000 2.128 648 F HA 0.097 4.633 4.527 0.015 0.000 0.295 648 F C 1.056 176.585 175.800 -0.452 0.000 1.100 648 F CA 0.961 58.770 58.000 -0.319 0.000 1.260 648 F CB 0.165 38.866 39.000 -0.498 0.000 1.009 648 F HN -0.058 nan 8.300 nan 0.000 0.476 649 F N -0.409 119.595 119.950 0.089 0.000 2.450 649 F HA 0.244 4.781 4.527 0.016 0.000 0.328 649 F C 1.641 177.403 175.800 -0.063 0.000 1.068 649 F CA -0.238 57.755 58.000 -0.012 0.000 1.007 649 F CB 0.741 39.744 39.000 0.004 0.000 1.251 649 F HN -0.226 nan 8.300 nan 0.000 0.492 650 T N -3.004 111.608 114.554 0.097 0.000 3.081 650 T HA 0.182 4.542 4.350 0.015 0.000 0.250 650 T C -0.046 174.716 174.700 0.102 0.000 1.100 650 T CA 0.314 62.384 62.100 -0.050 0.000 1.038 650 T CB -0.589 68.019 68.868 -0.433 0.000 0.962 650 T HN 0.736 nan 8.240 nan 0.000 0.516 651 E N 0.179 120.444 120.200 0.109 0.000 2.429 651 E HA 0.288 4.647 4.350 0.015 0.000 0.280 651 E C -1.350 175.237 176.600 -0.021 0.000 1.068 651 E CA -1.211 55.224 56.400 0.058 0.000 0.837 651 E CB 0.156 29.886 29.700 0.049 0.000 1.357 651 E HN -0.113 nan 8.360 nan 0.000 0.455 652 N N 2.099 120.749 118.700 -0.083 0.000 2.236 652 N HA -0.029 4.720 4.740 0.015 0.000 0.274 652 N C -1.386 174.004 175.510 -0.199 0.000 1.339 652 N CA -1.028 51.930 53.050 -0.153 0.000 0.845 652 N CB 0.674 39.028 38.487 -0.222 0.000 1.091 652 N HN 0.385 nan 8.380 nan 0.000 0.489 653 P HA 0.060 nan 4.420 nan 0.000 0.236 653 P C 0.845 178.056 177.300 -0.148 0.000 1.177 653 P CA 0.575 63.412 63.100 -0.438 0.000 0.773 653 P CB 0.080 31.083 31.700 -1.162 0.000 0.878 654 G N -0.195 108.590 108.800 -0.025 0.000 2.985 654 G HA2 0.018 3.987 3.960 0.015 0.000 0.209 654 G HA3 0.018 3.987 3.960 0.015 0.000 0.209 654 G C 1.292 176.343 174.900 0.252 0.000 1.165 654 G CA -0.134 45.062 45.100 0.160 0.000 0.776 654 G HN 0.200 nan 8.290 nan 0.000 0.541 655 L N 1.091 122.361 121.223 0.078 0.000 2.376 655 L HA 0.017 4.367 4.340 0.015 0.000 0.219 655 L C 1.969 178.899 176.870 0.100 0.000 1.133 655 L CA 0.936 55.801 54.840 0.041 0.000 0.816 655 L CB -0.038 41.953 42.059 -0.114 0.000 0.933 655 L HN 0.264 nan 8.230 nan 0.000 0.449 656 D N -0.115 120.345 120.400 0.100 0.000 2.328 656 D HA 0.013 4.662 4.640 0.015 0.000 0.226 656 D C 0.688 177.031 176.300 0.072 0.000 1.066 656 D CA -0.046 54.008 54.000 0.090 0.000 0.861 656 D CB -0.133 40.746 40.800 0.133 0.000 0.912 656 D HN 0.209 nan 8.370 nan 0.000 0.521 657 I N 1.788 122.414 120.570 0.093 0.000 2.496 657 I HA -0.035 4.144 4.170 0.015 0.000 0.285 657 I C 0.758 176.913 176.117 0.062 0.000 1.080 657 I CA -0.466 60.867 61.300 0.054 0.000 1.404 657 I CB 0.673 38.697 38.000 0.040 0.000 1.403 657 I HN -0.220 nan 8.210 nan 0.000 0.539 658 Q N 7.058 126.877 119.800 0.030 0.000 2.269 658 Q HA 0.089 4.438 4.340 0.015 0.000 0.300 658 Q C -2.118 173.901 176.000 0.030 0.000 1.070 658 Q CA -1.152 54.668 55.803 0.028 0.000 0.957 658 Q CB -0.143 28.604 28.738 0.015 0.000 1.131 658 Q HN 0.307 nan 8.270 nan 0.000 0.377 659 P HA 0.050 nan 4.420 nan 0.000 0.269 659 P C 0.326 177.647 177.300 0.035 0.000 1.209 659 P CA 0.039 63.166 63.100 0.045 0.000 0.776 659 P CB 0.708 32.440 31.700 0.054 0.000 0.876 660 S N 0.226 115.950 115.700 0.041 0.000 2.383 660 S HA -0.069 4.410 4.470 0.015 0.000 0.227 660 S C 0.223 174.917 174.600 0.157 0.000 1.026 660 S CA 1.243 59.485 58.200 0.069 0.000 0.981 660 S CB -0.453 62.775 63.200 0.046 0.000 0.818 660 S HN 0.624 nan 8.310 nan 0.000 0.472 661 Y N -0.211 120.097 120.300 0.014 0.000 2.482 661 Y HA 0.567 5.127 4.550 0.015 0.000 0.334 661 Y C -1.539 174.383 175.900 0.037 0.000 1.091 661 Y CA -1.151 56.962 58.100 0.022 0.000 1.027 661 Y CB 0.998 39.468 38.460 0.017 0.000 1.306 661 Y HN -0.015 nan 8.280 nan 0.000 0.446 662 A N 6.915 129.312 122.820 -0.705 0.000 2.459 662 A HA 0.755 5.084 4.320 0.015 0.000 0.296 662 A C -1.837 175.361 177.584 -0.643 0.000 1.039 662 A CA -0.632 51.108 52.037 -0.493 0.000 0.698 662 A CB 1.463 20.352 19.000 -0.186 0.000 1.261 662 A HN 0.843 nan 8.150 nan 0.000 0.405 663 M N 3.003 122.362 119.600 -0.401 0.000 2.267 663 M HA 0.495 4.984 4.480 0.015 0.000 0.289 663 M C -0.032 176.224 176.300 -0.072 0.000 1.043 663 M CA -0.220 54.957 55.300 -0.206 0.000 0.928 663 M CB 2.009 34.550 32.600 -0.098 0.000 1.613 663 M HN 0.933 nan 8.290 nan 0.000 0.450 664 T N 0.496 115.017 114.554 -0.056 0.000 2.847 664 T HA 0.317 4.676 4.350 0.015 0.000 0.279 664 T C 0.873 175.562 174.700 -0.018 0.000 0.984 664 T CA -0.315 61.768 62.100 -0.027 0.000 0.988 664 T CB 1.043 69.894 68.868 -0.028 0.000 1.040 664 T HN 0.728 nan 8.240 nan 0.000 0.528 665 T N 1.539 116.082 114.554 -0.018 0.000 2.684 665 T HA -0.166 4.193 4.350 0.015 0.000 0.267 665 T C 2.391 177.076 174.700 -0.024 0.000 1.036 665 T CA 2.027 64.112 62.100 -0.026 0.000 1.148 665 T CB -0.770 68.078 68.868 -0.035 0.000 0.863 665 T HN 0.887 nan 8.240 nan 0.000 0.436 666 S N 1.758 117.445 115.700 -0.022 0.000 2.368 666 S HA -0.143 4.337 4.470 0.015 0.000 0.225 666 S C 1.899 176.489 174.600 -0.016 0.000 1.030 666 S CA 1.228 59.416 58.200 -0.020 0.000 0.999 666 S CB -0.501 62.688 63.200 -0.019 0.000 0.844 666 S HN 0.584 nan 8.310 nan 0.000 0.459 667 E N 1.817 122.007 120.200 -0.018 0.000 2.077 667 E HA -0.041 4.318 4.350 0.015 0.000 0.193 667 E C 2.434 179.031 176.600 -0.004 0.000 0.989 667 E CA 1.075 57.466 56.400 -0.014 0.000 0.800 667 E CB -0.449 29.235 29.700 -0.026 0.000 0.746 667 E HN 0.717 nan 8.360 nan 0.000 0.452 668 A N 1.396 124.215 122.820 -0.002 0.000 1.902 668 A HA -0.218 4.111 4.320 0.015 0.000 0.217 668 A C 1.930 179.513 177.584 -0.001 0.000 1.181 668 A CA 1.462 53.503 52.037 0.008 0.000 0.623 668 A CB -0.250 18.754 19.000 0.008 0.000 0.818 668 A HN 0.038 nan 8.150 nan 0.000 0.443 669 K N -0.742 119.651 120.400 -0.011 0.000 2.026 669 K HA -0.101 4.228 4.320 0.015 0.000 0.208 669 K C 2.341 178.936 176.600 -0.008 0.000 1.048 669 K CA 1.469 57.748 56.287 -0.013 0.000 0.929 669 K CB -0.181 32.308 32.500 -0.018 0.000 0.713 669 K HN 0.345 nan 8.250 nan 0.000 0.439 670 R N 0.310 120.807 120.500 -0.006 0.000 2.096 670 R HA -0.070 4.280 4.340 0.015 0.000 0.235 670 R C 1.952 178.252 176.300 0.001 0.000 1.127 670 R CA 1.155 57.253 56.100 -0.004 0.000 0.968 670 R CB -0.215 30.082 30.300 -0.005 0.000 0.861 670 R HN 0.168 nan 8.270 nan 0.000 0.440 671 A N 0.691 123.514 122.820 0.005 0.000 2.264 671 A HA 0.100 4.429 4.320 0.015 0.000 0.207 671 A C 0.501 178.090 177.584 0.009 0.000 1.196 671 A CA 0.427 52.471 52.037 0.012 0.000 0.778 671 A CB -0.302 18.712 19.000 0.023 0.000 0.779 671 A HN 0.125 nan 8.150 nan 0.000 0.483 672 V N 0.000 119.916 119.914 0.003 0.000 2.409 672 V HA 0.000 4.129 4.120 0.015 0.000 0.244 672 V CA 0.000 62.300 62.300 0.000 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556