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 2fug_1_3 DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLXXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKXXXXXXXX DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERXXA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAXXWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.258 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.547 32.600 -0.088 0.000 1.302 2 V N 1.348 121.240 119.914 -0.035 0.000 3.036 2 V HA 0.517 4.637 4.120 -0.000 0.000 0.308 2 V C -0.068 176.026 176.094 0.000 0.000 1.070 2 V CA -0.511 61.781 62.300 -0.012 0.000 1.056 2 V CB 1.455 33.277 31.823 -0.002 0.000 1.084 2 V HN 0.732 nan 8.190 nan 0.000 0.471 3 R N 1.369 121.874 120.500 0.008 0.000 2.388 3 R HA 0.657 4.997 4.340 -0.000 0.000 0.314 3 R C -1.718 174.595 176.300 0.022 0.000 0.959 3 R CA -0.474 55.635 56.100 0.016 0.000 0.851 3 R CB 1.757 32.062 30.300 0.008 0.000 1.168 3 R HN 0.465 nan 8.270 nan 0.000 0.472 4 V N 3.185 123.120 119.914 0.036 0.000 2.444 4 V HA 0.282 4.402 4.120 -0.000 0.000 0.294 4 V C -0.095 176.014 176.094 0.026 0.000 1.022 4 V CA -0.907 61.414 62.300 0.035 0.000 0.850 4 V CB 1.904 33.758 31.823 0.051 0.000 0.992 4 V HN 0.601 nan 8.190 nan 0.000 0.426 5 K N 3.837 124.246 120.400 0.014 0.000 2.267 5 K HA 0.439 4.759 4.320 -0.000 0.000 0.282 5 K C 0.381 176.967 176.600 -0.023 0.000 1.078 5 K CA -0.284 56.002 56.287 -0.002 0.000 0.903 5 K CB 1.441 33.941 32.500 0.001 0.000 1.111 5 K HN 0.500 nan 8.250 nan 0.000 0.475 6 V N 4.346 124.216 119.914 -0.073 0.000 2.239 6 V HA -0.196 3.924 4.120 -0.000 0.000 0.236 6 V C 1.405 177.373 176.094 -0.210 0.000 1.040 6 V CA 1.557 63.758 62.300 -0.166 0.000 0.996 6 V CB -0.253 31.397 31.823 -0.288 0.000 0.640 6 V HN 0.844 nan 8.190 nan 0.000 0.456 7 N N -0.369 118.146 118.700 -0.309 0.000 3.039 7 N HA 0.055 4.795 4.740 -0.000 0.000 0.231 7 N C 0.989 176.445 175.510 -0.091 0.000 1.053 7 N CA 1.158 54.072 53.050 -0.226 0.000 1.191 7 N CB -0.082 38.177 38.487 -0.380 0.000 1.597 7 N HN 0.626 nan 8.380 nan 0.000 0.585 8 D N -0.815 119.547 120.400 -0.063 0.000 2.469 8 D HA 0.171 4.811 4.640 -0.000 0.000 0.213 8 D C 0.311 176.620 176.300 0.016 0.000 1.135 8 D CA -0.020 53.983 54.000 0.005 0.000 0.834 8 D CB 0.621 41.447 40.800 0.043 0.000 1.009 8 D HN -0.081 nan 8.370 nan 0.000 0.507 9 R N 0.605 121.105 120.500 -0.001 0.000 2.338 9 R HA 0.585 4.925 4.340 -0.000 0.000 0.317 9 R C -0.714 175.586 176.300 0.000 0.000 0.968 9 R CA -0.594 55.522 56.100 0.027 0.000 0.849 9 R CB 1.268 31.628 30.300 0.102 0.000 1.128 9 R HN 0.052 nan 8.270 nan 0.000 0.448 10 I N 3.877 124.454 120.570 0.012 0.000 2.498 10 I HA 0.442 4.612 4.170 -0.000 0.000 0.301 10 I C -0.558 175.574 176.117 0.025 0.000 0.984 10 I CA -0.959 60.349 61.300 0.013 0.000 1.204 10 I CB 1.887 39.894 38.000 0.012 0.000 1.362 10 I HN 0.228 nan 8.210 nan 0.000 0.471 11 V N 3.861 123.801 119.914 0.043 0.000 2.851 11 V HA 0.293 4.413 4.120 -0.000 0.000 0.307 11 V C -0.681 175.468 176.094 0.092 0.000 1.129 11 V CA -0.955 61.390 62.300 0.076 0.000 0.932 11 V CB 2.048 33.944 31.823 0.121 0.000 1.024 11 V HN 0.562 nan 8.190 nan 0.000 0.426 12 E N 2.292 122.545 120.200 0.088 0.000 2.194 12 E HA 0.556 4.906 4.350 -0.000 0.000 0.284 12 E C -0.856 175.771 176.600 0.044 0.000 1.035 12 E CA -0.055 56.374 56.400 0.047 0.000 0.836 12 E CB 2.221 31.934 29.700 0.022 0.000 1.070 12 E HN 0.483 nan 8.360 nan 0.000 0.401 13 V N 5.216 125.123 119.914 -0.012 0.000 2.808 13 V HA 0.348 4.468 4.120 -0.000 0.000 0.308 13 V C -2.454 173.554 176.094 -0.143 0.000 1.099 13 V CA -2.351 59.882 62.300 -0.110 0.000 0.920 13 V CB 2.573 34.402 31.823 0.009 0.000 1.014 13 V HN 0.468 nan 8.190 nan 0.000 0.425 14 P HA 0.087 nan 4.420 nan 0.000 0.269 14 P C -2.209 175.021 177.300 -0.117 0.000 1.205 14 P CA -0.502 62.440 63.100 -0.265 0.000 0.780 14 P CB -0.006 31.364 31.700 -0.550 0.000 0.858 15 P HA -0.154 nan 4.420 nan 0.000 0.215 15 P C 1.333 178.643 177.300 0.016 0.000 1.153 15 P CA 1.957 65.043 63.100 -0.023 0.000 0.853 15 P CB -0.563 31.123 31.700 -0.023 0.000 0.788 16 G N -0.608 108.214 108.800 0.036 0.000 3.262 16 G HA2 0.047 4.007 3.960 -0.000 0.000 0.228 16 G HA3 0.047 4.007 3.960 -0.000 0.000 0.228 16 G C 0.315 175.283 174.900 0.113 0.000 1.197 16 G CA -0.013 45.133 45.100 0.076 0.000 0.819 16 G HN 0.193 nan 8.290 nan 0.000 0.531 17 T N 0.401 115.028 114.554 0.121 0.000 2.900 17 T HA 0.319 4.669 4.350 -0.000 0.000 0.307 17 T C 0.579 175.361 174.700 0.138 0.000 1.065 17 T CA 0.158 62.375 62.100 0.194 0.000 1.105 17 T CB 1.453 70.462 68.868 0.235 0.000 0.979 17 T HN 0.130 nan 8.240 nan 0.000 0.544 18 S N 1.523 117.298 115.700 0.126 0.000 2.499 18 S HA 0.202 4.672 4.470 -0.000 0.000 0.279 18 S C 1.565 176.228 174.600 0.104 0.000 1.219 18 S CA -0.946 57.310 58.200 0.093 0.000 1.062 18 S CB 0.490 63.735 63.200 0.075 0.000 0.978 18 S HN 0.474 nan 8.310 nan 0.000 0.489 19 V N 6.813 126.778 119.914 0.086 0.000 2.313 19 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 19 V C 2.315 178.459 176.094 0.084 0.000 1.070 19 V CA 2.762 65.107 62.300 0.074 0.000 1.057 19 V CB -1.069 30.782 31.823 0.046 0.000 0.653 19 V HN 0.994 nan 8.190 nan 0.000 0.450 20 M N 0.776 120.440 119.600 0.108 0.000 2.286 20 M HA -0.269 4.211 4.480 -0.000 0.000 0.262 20 M C 1.900 178.334 176.300 0.223 0.000 1.071 20 M CA 2.801 58.203 55.300 0.170 0.000 1.091 20 M CB -0.625 32.127 32.600 0.253 0.000 1.260 20 M HN 0.340 nan 8.290 nan 0.000 0.442 21 D N 0.668 121.190 120.400 0.204 0.000 2.203 21 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 21 D C 1.876 178.330 176.300 0.257 0.000 0.997 21 D CA 1.776 55.859 54.000 0.139 0.000 0.863 21 D CB -0.351 40.252 40.800 -0.328 0.000 0.928 21 D HN 0.569 nan 8.370 nan 0.000 0.458 22 A N 0.321 123.274 122.820 0.222 0.000 1.851 22 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 22 A C 2.431 180.141 177.584 0.210 0.000 1.195 22 A CA 1.517 53.707 52.037 0.256 0.000 0.622 22 A CB -1.022 18.073 19.000 0.160 0.000 0.831 22 A HN 0.137 nan 8.150 nan 0.000 0.444 23 V N -1.055 118.909 119.914 0.085 0.000 2.214 23 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 23 V C 2.337 178.421 176.094 -0.016 0.000 1.051 23 V CA 2.502 64.786 62.300 -0.026 0.000 1.003 23 V CB -1.143 30.576 31.823 -0.172 0.000 0.635 23 V HN 0.549 nan 8.190 nan 0.000 0.447 24 F N -0.114 119.826 119.950 -0.017 0.000 2.236 24 F HA -0.215 4.312 4.527 -0.000 0.000 0.302 24 F C 2.380 177.979 175.800 -0.335 0.000 1.073 24 F CA 2.096 59.928 58.000 -0.281 0.000 1.336 24 F CB -0.771 37.840 39.000 -0.650 0.000 1.040 24 F HN 0.325 nan 8.300 nan 0.000 0.507 25 H N -0.203 118.881 119.070 0.024 0.000 2.363 25 H HA 0.032 4.588 4.556 -0.000 0.000 0.301 25 H C 2.144 177.585 175.328 0.188 0.000 1.074 25 H CA 1.406 57.613 56.048 0.266 0.000 1.354 25 H CB -0.385 29.646 29.762 0.448 0.000 1.397 25 H HN 0.075 nan 8.280 nan 0.000 0.516 26 A N -0.377 122.509 122.820 0.109 0.000 2.125 26 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 26 A C 1.811 179.493 177.584 0.165 0.000 1.156 26 A CA 1.238 53.319 52.037 0.073 0.000 0.671 26 A CB -0.913 18.152 19.000 0.108 0.000 0.794 26 A HN 0.912 nan 8.150 nan 0.000 0.459 27 G N -2.990 105.899 108.800 0.148 0.000 2.288 27 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.205 27 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.205 27 G C -0.236 174.632 174.900 -0.052 0.000 1.071 27 G CA 0.181 45.318 45.100 0.062 0.000 0.788 27 G HN 0.408 nan 8.290 nan 0.000 0.491 28 Y N 0.195 120.442 120.300 -0.088 0.000 3.013 28 Y HA 0.728 5.278 4.550 -0.000 0.000 0.310 28 Y C 0.408 176.129 175.900 -0.298 0.000 1.450 28 Y CA -0.253 57.763 58.100 -0.140 0.000 1.091 28 Y CB 1.196 39.568 38.460 -0.147 0.000 1.373 28 Y HN 0.322 nan 8.280 nan 0.000 0.590 29 D N -0.687 119.643 120.400 -0.117 0.000 2.579 29 D HA 0.586 5.226 4.640 -0.000 0.000 0.257 29 D C -1.721 174.495 176.300 -0.141 0.000 1.176 29 D CA -0.659 53.200 54.000 -0.236 0.000 0.914 29 D CB 2.049 42.949 40.800 0.166 0.000 1.431 29 D HN 0.438 nan 8.370 nan 0.000 0.454 30 V N -0.124 119.770 119.914 -0.033 0.000 2.971 30 V HA 0.295 4.415 4.120 -0.000 0.000 0.281 30 V C -2.875 173.187 176.094 -0.053 0.000 1.470 30 V CA -1.427 60.813 62.300 -0.099 0.000 0.966 30 V CB 2.484 34.216 31.823 -0.152 0.000 1.156 30 V HN 0.430 nan 8.190 nan 0.000 0.441 31 P HA 0.072 nan 4.420 nan 0.000 0.254 31 P C -0.706 176.615 177.300 0.034 0.000 1.186 31 P CA 0.217 63.161 63.100 -0.259 0.000 0.868 31 P CB -0.080 31.289 31.700 -0.551 0.000 0.856 32 L N 4.740 126.087 121.223 0.207 0.000 2.290 32 L HA 0.253 4.593 4.340 -0.000 0.000 0.284 32 L C 0.208 177.312 176.870 0.389 0.000 1.078 32 L CA 0.523 55.471 54.840 0.181 0.000 0.815 32 L CB 0.232 42.278 42.059 -0.021 0.000 1.162 32 L HN 0.383 nan 8.230 nan 0.000 0.435 33 F N 2.110 122.038 119.950 -0.036 0.000 2.360 33 F HA -0.012 4.515 4.527 -0.000 0.000 0.295 33 F C 1.907 177.710 175.800 0.006 0.000 0.844 33 F CA 0.447 58.437 58.000 -0.016 0.000 1.072 33 F CB -0.090 38.907 39.000 -0.006 0.000 1.005 33 F HN 0.607 nan 8.300 nan 0.000 0.727 34 C N -0.846 118.586 119.300 0.219 0.000 2.551 34 C HA 0.381 4.841 4.460 -0.000 0.000 0.277 34 C C 1.303 176.356 174.990 0.106 0.000 1.349 34 C CA -0.224 58.884 59.018 0.150 0.000 1.750 34 C CB -1.061 26.768 27.740 0.148 0.000 2.058 34 C HN 0.157 nan 8.230 nan 0.000 0.518 35 S N 1.498 117.254 115.700 0.093 0.000 2.593 35 S HA 0.510 4.979 4.470 -0.000 0.000 0.269 35 S C -0.489 174.137 174.600 0.043 0.000 1.334 35 S CA 0.274 58.522 58.200 0.081 0.000 1.015 35 S CB 0.857 64.115 63.200 0.097 0.000 0.912 35 S HN 0.770 nan 8.310 nan 0.000 0.541 36 E N 0.628 120.876 120.200 0.080 0.000 2.378 36 E HA 0.242 4.591 4.350 -0.000 0.000 0.283 36 E C -1.609 175.084 176.600 0.155 0.000 0.979 36 E CA -0.573 55.875 56.400 0.079 0.000 0.795 36 E CB 0.734 30.491 29.700 0.095 0.000 1.221 36 E HN 0.406 nan 8.360 nan 0.000 0.428 37 K N 2.612 123.116 120.400 0.173 0.000 2.550 37 K HA 0.017 4.337 4.320 -0.000 0.000 0.280 37 K C -0.397 176.387 176.600 0.308 0.000 0.987 37 K CA 1.014 57.425 56.287 0.205 0.000 1.048 37 K CB -0.122 32.520 32.500 0.237 0.000 0.879 37 K HN 0.739 nan 8.250 nan 0.000 0.491 38 H N -1.463 117.684 119.070 0.128 0.000 3.641 38 H HA -0.192 4.364 4.556 -0.000 0.000 0.193 38 H C -0.655 174.813 175.328 0.234 0.000 1.013 38 H CA 1.099 57.269 56.048 0.203 0.000 1.212 38 H CB -1.474 28.484 29.762 0.326 0.000 1.089 38 H HN 0.369 nan 8.280 nan 0.000 0.339 39 L N 0.411 121.793 121.223 0.264 0.000 2.319 39 L HA 0.453 4.792 4.340 -0.000 0.000 0.267 39 L C 0.386 177.332 176.870 0.127 0.000 1.011 39 L CA -0.736 54.227 54.840 0.206 0.000 0.818 39 L CB 1.713 43.904 42.059 0.220 0.000 1.316 39 L HN 0.193 nan 8.230 nan 0.000 0.432 40 S N 1.783 117.542 115.700 0.098 0.000 2.509 40 S HA 0.183 4.653 4.470 -0.000 0.000 0.287 40 S C -2.282 172.365 174.600 0.078 0.000 1.248 40 S CA -1.112 57.131 58.200 0.071 0.000 1.089 40 S CB -0.254 62.978 63.200 0.053 0.000 0.900 40 S HN 0.321 nan 8.310 nan 0.000 0.496 41 P HA 0.275 nan 4.420 nan 0.000 0.268 41 P C -0.056 177.285 177.300 0.069 0.000 1.205 41 P CA -0.285 62.862 63.100 0.079 0.000 0.771 41 P CB 0.410 32.156 31.700 0.076 0.000 0.858 42 I N -2.235 118.379 120.570 0.072 0.000 3.095 42 I HA 0.570 4.740 4.170 -0.000 0.000 0.310 42 I C 1.044 177.195 176.117 0.057 0.000 1.196 42 I CA -1.207 60.131 61.300 0.063 0.000 0.985 42 I CB 1.639 39.683 38.000 0.074 0.000 1.250 42 I HN 0.296 nan 8.210 nan 0.000 0.446 43 G N 1.678 110.503 108.800 0.042 0.000 2.484 43 G HA2 0.217 4.177 3.960 -0.000 0.000 0.218 43 G HA3 0.217 4.177 3.960 -0.000 0.000 0.218 43 G C 0.820 175.736 174.900 0.028 0.000 1.130 43 G CA 0.504 45.622 45.100 0.030 0.000 0.784 43 G HN 0.977 nan 8.290 nan 0.000 0.543 44 A N -0.610 122.233 122.820 0.038 0.000 2.547 44 A HA 0.330 4.650 4.320 -0.000 0.000 0.233 44 A C 1.506 179.119 177.584 0.048 0.000 1.067 44 A CA 0.750 52.809 52.037 0.035 0.000 0.763 44 A CB -0.565 18.468 19.000 0.056 0.000 1.007 44 A HN 2.043 nan 8.150 nan 0.000 0.506 45 C N 1.544 120.864 119.300 0.033 0.000 4.210 45 C HA -0.092 4.368 4.460 -0.000 0.000 0.315 45 C C 0.482 175.461 174.990 -0.019 0.000 1.159 45 C CA -0.003 59.035 59.018 0.032 0.000 2.254 45 C CB -2.769 25.044 27.740 0.122 0.000 1.321 45 C HN 0.888 nan 8.230 nan 0.000 0.647 46 R N 1.718 122.196 120.500 -0.036 0.000 4.330 46 R HA 0.014 4.354 4.340 -0.000 0.000 0.161 46 R C 1.503 177.747 176.300 -0.093 0.000 1.942 46 R CA 0.691 56.762 56.100 -0.049 0.000 1.438 46 R CB 0.010 30.287 30.300 -0.038 0.000 1.348 46 R HN 0.753 nan 8.270 nan 0.000 0.793 47 M N -0.520 119.010 119.600 -0.117 0.000 2.738 47 M HA -0.022 4.458 4.480 -0.000 0.000 0.256 47 M C 2.003 178.200 176.300 -0.172 0.000 1.253 47 M CA 0.771 55.953 55.300 -0.197 0.000 1.223 47 M CB -0.635 31.791 32.600 -0.289 0.000 1.263 47 M HN 0.408 nan 8.290 nan 0.000 0.521 48 C N 2.277 121.522 119.300 -0.091 0.000 2.379 48 C HA 0.377 4.836 4.460 -0.000 0.000 0.376 48 C C 1.013 175.960 174.990 -0.072 0.000 1.323 48 C CA -1.122 57.858 59.018 -0.063 0.000 1.575 48 C CB -2.566 25.190 27.740 0.027 0.000 1.661 48 C HN 0.234 nan 8.230 nan 0.000 0.594 49 L N 1.533 122.693 121.223 -0.104 0.000 2.467 49 L HA 0.511 4.851 4.340 -0.000 0.000 0.270 49 L C 0.523 177.327 176.870 -0.111 0.000 1.205 49 L CA 0.360 55.142 54.840 -0.096 0.000 0.828 49 L CB 0.882 42.877 42.059 -0.106 0.000 1.101 49 L HN 0.505 nan 8.230 nan 0.000 0.479 50 V N 0.257 120.108 119.914 -0.105 0.000 3.230 50 V HA 0.568 4.688 4.120 -0.000 0.000 0.302 50 V C -1.048 174.959 176.094 -0.145 0.000 1.421 50 V CA -1.167 61.057 62.300 -0.125 0.000 1.065 50 V CB 2.078 33.840 31.823 -0.103 0.000 1.097 50 V HN 0.789 nan 8.190 nan 0.000 0.460 51 R N 0.631 121.009 120.500 -0.203 0.000 2.494 51 R HA 0.837 5.177 4.340 -0.000 0.000 0.305 51 R C -1.391 174.778 176.300 -0.219 0.000 0.959 51 R CA -0.637 55.292 56.100 -0.284 0.000 0.864 51 R CB 1.560 31.555 30.300 -0.509 0.000 1.159 51 R HN 0.862 nan 8.270 nan 0.000 0.446 52 I N 1.591 122.116 120.570 -0.077 0.000 3.067 52 I HA 0.701 4.871 4.170 -0.000 0.000 0.312 52 I C 0.275 176.617 176.117 0.374 0.000 1.073 52 I CA -0.943 60.423 61.300 0.111 0.000 1.016 52 I CB 2.540 40.584 38.000 0.074 0.000 1.227 52 I HN 0.817 nan 8.210 nan 0.000 0.456 53 G N 2.406 111.447 108.800 0.402 0.000 2.495 53 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 53 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 53 G C -2.189 172.764 174.900 0.087 0.000 1.397 53 G CA -0.287 45.006 45.100 0.321 0.000 0.790 53 G HN 0.408 nan 8.290 nan 0.000 0.486 74 Q N 3.753 123.395 119.800 -0.263 0.000 2.307 74 Q HA 0.454 4.794 4.340 -0.000 0.000 0.262 74 Q C -1.675 174.312 176.000 -0.021 0.000 0.961 74 Q CA -0.592 55.113 55.803 -0.163 0.000 0.882 74 Q CB 1.288 29.992 28.738 -0.057 0.000 1.264 74 Q HN 0.788 nan 8.270 nan 0.000 0.446 75 W N 4.529 125.820 121.300 -0.015 0.000 2.485 75 W HA 0.111 4.771 4.660 -0.000 0.000 0.315 75 W C 0.406 176.916 176.519 -0.016 0.000 1.304 75 W CA -1.063 56.272 57.345 -0.017 0.000 1.345 75 W CB 0.823 30.272 29.460 -0.018 0.000 1.368 75 W HN 0.345 nan 8.180 nan 0.000 0.497 76 Q N 3.775 123.740 119.800 0.275 0.000 2.308 76 Q HA -0.124 4.216 4.340 -0.000 0.000 0.313 76 Q C -1.159 174.893 176.000 0.085 0.000 1.075 76 Q CA -0.040 55.841 55.803 0.129 0.000 0.995 76 Q CB 0.312 29.102 28.738 0.087 0.000 1.107 76 Q HN 0.342 nan 8.270 nan 0.000 0.380 77 P HA -0.213 nan 4.420 nan 0.000 0.217 77 P C -0.265 177.039 177.300 0.007 0.000 1.158 77 P CA 1.896 65.018 63.100 0.036 0.000 0.887 77 P CB 0.241 31.957 31.700 0.027 0.000 0.792 78 K N -1.414 118.984 120.400 -0.003 0.000 2.375 78 K HA 0.455 4.775 4.320 -0.000 0.000 0.249 78 K C -0.540 176.037 176.600 -0.038 0.000 0.942 78 K CA -1.070 55.203 56.287 -0.025 0.000 0.806 78 K CB 1.445 33.933 32.500 -0.019 0.000 1.227 78 K HN -0.173 nan 8.250 nan 0.000 0.430 79 L N 1.375 122.561 121.223 -0.061 0.000 2.516 79 L HA 0.161 4.501 4.340 -0.000 0.000 0.288 79 L C 0.328 177.166 176.870 -0.052 0.000 1.246 79 L CA 0.054 54.847 54.840 -0.077 0.000 0.844 79 L CB 0.346 42.351 42.059 -0.091 0.000 1.106 79 L HN 0.887 nan 8.230 nan 0.000 0.509 80 A N 1.793 124.582 122.820 -0.051 0.000 2.384 80 A HA 0.788 5.107 4.320 -0.000 0.000 0.312 80 A C -0.267 177.300 177.584 -0.028 0.000 1.113 80 A CA -0.520 51.499 52.037 -0.029 0.000 0.779 80 A CB 1.440 20.431 19.000 -0.014 0.000 1.307 80 A HN 0.761 nan 8.150 nan 0.000 0.436 81 A N 1.144 123.956 122.820 -0.013 0.000 2.666 81 A HA 0.428 4.748 4.320 -0.000 0.000 0.301 81 A C 1.297 178.887 177.584 0.011 0.000 1.470 81 A CA 0.528 52.563 52.037 -0.004 0.000 1.159 81 A CB -0.611 18.393 19.000 0.006 0.000 1.116 81 A HN 1.538 nan 8.150 nan 0.000 0.548 82 S N 1.406 117.110 115.700 0.006 0.000 2.484 82 S HA -0.213 4.257 4.470 -0.000 0.000 0.250 82 S C 1.657 176.295 174.600 0.063 0.000 0.995 82 S CA 1.990 60.205 58.200 0.025 0.000 0.967 82 S CB -0.781 62.425 63.200 0.011 0.000 0.752 82 S HN 1.206 nan 8.310 nan 0.000 0.517 83 C N -0.282 119.060 119.300 0.070 0.000 2.590 83 C HA 0.478 4.937 4.460 -0.000 0.000 0.272 83 C C 1.916 176.950 174.990 0.075 0.000 1.338 83 C CA 0.281 59.355 59.018 0.095 0.000 1.746 83 C CB -1.044 26.759 27.740 0.106 0.000 2.020 83 C HN 0.518 nan 8.230 nan 0.000 0.531 84 V N -1.688 118.258 119.914 0.055 0.000 3.477 84 V HA 0.312 4.431 4.120 -0.000 0.000 0.297 84 V C 0.281 176.399 176.094 0.040 0.000 1.433 84 V CA 0.345 62.673 62.300 0.047 0.000 1.052 84 V CB -0.812 31.034 31.823 0.038 0.000 0.895 84 V HN 0.403 nan 8.190 nan 0.000 0.438 85 T N 3.018 117.597 114.554 0.040 0.000 2.767 85 T HA 0.769 5.119 4.350 -0.000 0.000 0.288 85 T C 0.344 175.071 174.700 0.045 0.000 0.963 85 T CA 0.520 62.641 62.100 0.036 0.000 1.019 85 T CB 1.348 70.233 68.868 0.028 0.000 0.923 85 T HN 0.736 nan 8.240 nan 0.000 0.468 86 A N 3.002 125.847 122.820 0.042 0.000 2.322 86 A HA 0.674 4.994 4.320 -0.000 0.000 0.269 86 A C 0.614 178.227 177.584 0.047 0.000 1.094 86 A CA -0.702 51.364 52.037 0.048 0.000 0.807 86 A CB 0.214 19.238 19.000 0.041 0.000 1.047 86 A HN 0.855 nan 8.150 nan 0.000 0.487 87 V N -1.390 118.556 119.914 0.054 0.000 3.036 87 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 87 V C 0.260 176.377 176.094 0.038 0.000 1.070 87 V CA -0.144 62.186 62.300 0.051 0.000 1.056 87 V CB 0.982 32.843 31.823 0.064 0.000 1.084 87 V HN 1.758 nan 8.190 nan 0.000 0.471 88 A N 1.220 124.060 122.820 0.033 0.000 2.498 88 A HA 0.539 4.859 4.320 -0.000 0.000 0.298 88 A C -0.579 177.017 177.584 0.019 0.000 1.075 88 A CA -0.632 51.419 52.037 0.024 0.000 0.714 88 A CB 1.409 20.422 19.000 0.022 0.000 1.299 88 A HN 0.947 nan 8.150 nan 0.000 0.407 89 D N 0.687 121.094 120.400 0.011 0.000 2.472 89 D HA 0.350 4.990 4.640 -0.000 0.000 0.248 89 D C 1.361 177.664 176.300 0.005 0.000 1.174 89 D CA 2.354 56.358 54.000 0.006 0.000 0.883 89 D CB 0.522 41.322 40.800 0.000 0.000 1.149 89 D HN 1.468 nan 8.370 nan 0.000 0.488 90 G N 3.649 112.452 108.800 0.006 0.000 2.157 90 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.248 90 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.248 90 G C 0.609 175.512 174.900 0.005 0.000 0.979 90 G CA 0.380 45.480 45.100 0.000 0.000 0.650 90 G HN 0.581 nan 8.290 nan 0.000 0.529 91 M N 0.956 120.568 119.600 0.019 0.000 2.248 91 M HA 0.513 4.993 4.480 -0.000 0.000 0.337 91 M C -0.084 176.244 176.300 0.046 0.000 1.121 91 M CA 0.213 55.535 55.300 0.036 0.000 1.155 91 M CB 0.881 33.506 32.600 0.043 0.000 1.514 91 M HN 0.032 nan 8.290 nan 0.000 0.452 92 V N 5.228 125.194 119.914 0.087 0.000 2.444 92 V HA 0.422 4.542 4.120 -0.000 0.000 0.294 92 V C -0.844 175.347 176.094 0.161 0.000 1.022 92 V CA -0.718 61.656 62.300 0.125 0.000 0.850 92 V CB 1.796 33.720 31.823 0.170 0.000 0.992 92 V HN 0.662 nan 8.190 nan 0.000 0.426 93 V N 4.442 124.395 119.914 0.065 0.000 2.305 93 V HA 0.275 4.395 4.120 -0.000 0.000 0.275 93 V C -0.270 175.779 176.094 -0.076 0.000 1.020 93 V CA -0.626 61.672 62.300 -0.003 0.000 0.811 93 V CB 1.481 33.285 31.823 -0.031 0.000 1.031 93 V HN 1.051 nan 8.190 nan 0.000 0.439 94 D N 2.944 123.279 120.400 -0.110 0.000 2.304 94 D HA 0.322 4.962 4.640 -0.000 0.000 0.250 94 D C 0.891 177.085 176.300 -0.177 0.000 1.107 94 D CA 0.085 53.991 54.000 -0.156 0.000 0.885 94 D CB 1.878 42.559 40.800 -0.199 0.000 1.192 94 D HN 0.538 nan 8.370 nan 0.000 0.436 95 T N 1.103 115.569 114.554 -0.147 0.000 3.288 95 T HA 0.221 4.570 4.350 -0.000 0.000 0.293 95 T C 0.402 175.072 174.700 -0.050 0.000 1.008 95 T CA -0.399 61.639 62.100 -0.104 0.000 0.929 95 T CB -0.252 68.567 68.868 -0.081 0.000 1.152 95 T HN 0.323 nan 8.240 nan 0.000 0.517 96 L N 0.124 121.309 121.223 -0.064 0.000 3.360 96 L HA 0.489 4.829 4.340 -0.000 0.000 0.303 96 L C 0.600 177.432 176.870 -0.063 0.000 1.218 96 L CA -0.339 54.482 54.840 -0.031 0.000 1.059 96 L CB 0.204 42.274 42.059 0.018 0.000 1.468 96 L HN 0.024 nan 8.230 nan 0.000 0.614 97 S N 1.247 116.882 115.700 -0.109 0.000 2.552 97 S HA -0.031 4.439 4.470 -0.000 0.000 0.289 97 S C 0.976 175.499 174.600 -0.129 0.000 1.304 97 S CA -0.161 57.967 58.200 -0.120 0.000 1.063 97 S CB 0.525 63.610 63.200 -0.192 0.000 0.848 97 S HN 0.285 nan 8.310 nan 0.000 0.499 98 D N 1.965 122.309 120.400 -0.094 0.000 2.220 98 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 98 D C 1.784 177.965 176.300 -0.198 0.000 1.001 98 D CA 1.093 55.029 54.000 -0.108 0.000 0.875 98 D CB -0.019 40.775 40.800 -0.010 0.000 0.921 98 D HN 0.319 nan 8.370 nan 0.000 0.454 99 V N 0.679 120.495 119.914 -0.164 0.000 2.379 99 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 99 V C 2.673 178.641 176.094 -0.210 0.000 1.044 99 V CA 0.738 62.934 62.300 -0.173 0.000 1.036 99 V CB -0.195 31.539 31.823 -0.149 0.000 0.664 99 V HN 0.039 nan 8.190 nan 0.000 0.453 100 V N 0.006 119.795 119.914 -0.207 0.000 2.295 100 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 100 V C 2.615 178.582 176.094 -0.211 0.000 1.049 100 V CA 2.135 64.318 62.300 -0.194 0.000 1.024 100 V CB -0.749 30.970 31.823 -0.173 0.000 0.648 100 V HN 0.461 nan 8.190 nan 0.000 0.447 101 R N -0.191 120.159 120.500 -0.250 0.000 2.070 101 R HA -0.228 4.112 4.340 -0.000 0.000 0.233 101 R C 2.412 178.431 176.300 -0.469 0.000 1.137 101 R CA 1.868 57.789 56.100 -0.298 0.000 0.945 101 R CB -0.449 29.660 30.300 -0.319 0.000 0.845 101 R HN 0.659 nan 8.270 nan 0.000 0.430 102 E N 0.550 120.314 120.200 -0.727 0.000 2.187 102 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 102 E C 1.718 178.162 176.600 -0.260 0.000 1.004 102 E CA 1.429 57.457 56.400 -0.620 0.000 0.813 102 E CB 0.000 29.478 29.700 -0.370 0.000 0.736 102 E HN 0.399 nan 8.360 nan 0.000 0.468 103 A N 0.753 123.437 122.820 -0.227 0.000 1.840 103 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 103 A C 2.119 179.608 177.584 -0.159 0.000 1.198 103 A CA 1.518 53.460 52.037 -0.158 0.000 0.608 103 A CB -0.611 18.302 19.000 -0.145 0.000 0.839 103 A HN 0.367 nan 8.150 nan 0.000 0.443 104 Q N -0.151 119.544 119.800 -0.175 0.000 2.045 104 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 104 Q C 2.390 178.304 176.000 -0.144 0.000 0.991 104 Q CA 1.641 57.333 55.803 -0.184 0.000 0.851 104 Q CB -0.628 27.994 28.738 -0.193 0.000 0.911 104 Q HN 0.630 nan 8.270 nan 0.000 0.418 105 A N 1.570 124.326 122.820 -0.108 0.000 1.915 105 A HA -0.249 4.070 4.320 -0.000 0.000 0.220 105 A C 2.388 179.898 177.584 -0.124 0.000 1.198 105 A CA 2.211 54.214 52.037 -0.057 0.000 0.647 105 A CB -1.597 17.405 19.000 0.003 0.000 0.825 105 A HN 0.543 nan 8.150 nan 0.000 0.456 106 G N -1.651 107.041 108.800 -0.180 0.000 2.421 106 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 106 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 106 G C 1.475 176.120 174.900 -0.424 0.000 1.171 106 G CA 1.485 46.380 45.100 -0.341 0.000 0.775 106 G HN 0.363 nan 8.290 nan 0.000 0.543 107 M N 0.493 119.972 119.600 -0.201 0.000 2.073 107 M HA -0.065 4.414 4.480 -0.000 0.000 0.258 107 M C 2.692 178.920 176.300 -0.120 0.000 1.070 107 M CA 0.992 56.245 55.300 -0.079 0.000 1.103 107 M CB -0.729 31.802 32.600 -0.115 0.000 1.321 107 M HN 0.069 nan 8.290 nan 0.000 0.405 108 V N -0.128 119.682 119.914 -0.173 0.000 2.252 108 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 108 V C 2.268 178.310 176.094 -0.088 0.000 1.056 108 V CA 2.384 64.601 62.300 -0.138 0.000 1.022 108 V CB -1.035 30.737 31.823 -0.086 0.000 0.641 108 V HN 0.625 nan 8.190 nan 0.000 0.445 109 E N -0.180 119.927 120.200 -0.155 0.000 2.086 109 E HA -0.281 4.069 4.350 -0.000 0.000 0.200 109 E C 2.015 178.555 176.600 -0.100 0.000 1.012 109 E CA 2.197 58.497 56.400 -0.167 0.000 0.812 109 E CB -0.263 29.238 29.700 -0.332 0.000 0.743 109 E HN 0.513 nan 8.360 nan 0.000 0.453 110 F N 0.885 120.797 119.950 -0.063 0.000 2.084 110 F HA -0.112 4.415 4.527 -0.000 0.000 0.296 110 F C 2.687 178.453 175.800 -0.057 0.000 1.111 110 F CA 1.584 59.530 58.000 -0.089 0.000 1.224 110 F CB -1.247 37.689 39.000 -0.106 0.000 0.991 110 F HN 0.038 nan 8.300 nan 0.000 0.471 111 T N 0.936 115.576 114.554 0.144 0.000 2.685 111 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 111 T C 2.267 177.031 174.700 0.107 0.000 1.034 111 T CA 1.419 63.574 62.100 0.091 0.000 1.149 111 T CB -0.520 68.341 68.868 -0.012 0.000 0.860 111 T HN 0.141 nan 8.240 nan 0.000 0.449 112 L N 0.150 121.427 121.223 0.091 0.000 2.179 112 L HA 0.090 4.430 4.340 -0.000 0.000 0.208 112 L C 2.440 179.436 176.870 0.211 0.000 1.096 112 L CA 0.490 55.407 54.840 0.128 0.000 0.779 112 L CB -0.621 41.505 42.059 0.111 0.000 0.922 112 L HN 0.259 nan 8.230 nan 0.000 0.443 113 L N 0.452 121.781 121.223 0.177 0.000 2.119 113 L HA -0.348 3.992 4.340 -0.000 0.000 0.226 113 L C 1.838 178.903 176.870 0.325 0.000 1.093 113 L CA 1.975 56.924 54.840 0.182 0.000 0.806 113 L CB -0.331 41.691 42.059 -0.061 0.000 0.902 113 L HN 0.351 nan 8.230 nan 0.000 0.444 114 N N -2.134 116.721 118.700 0.259 0.000 2.203 114 N HA 0.003 4.743 4.740 -0.000 0.000 0.207 114 N C 0.012 175.709 175.510 0.311 0.000 1.130 114 N CA -0.064 53.163 53.050 0.295 0.000 0.861 114 N CB -0.090 38.519 38.487 0.204 0.000 1.005 114 N HN 0.454 nan 8.380 nan 0.000 0.507 115 H N 1.381 120.569 119.070 0.197 0.000 2.767 115 H HA 0.084 4.639 4.556 -0.000 0.000 0.380 115 H C -1.218 174.216 175.328 0.175 0.000 1.409 115 H CA -0.464 55.688 56.048 0.174 0.000 1.463 115 H CB 0.884 30.743 29.762 0.162 0.000 1.514 115 H HN 0.035 nan 8.280 nan 0.000 0.619 116 P HA 0.118 nan 4.420 nan 0.000 0.260 116 P C -0.571 176.743 177.300 0.024 0.000 1.222 116 P CA 0.396 63.483 63.100 -0.023 0.000 0.843 116 P CB 1.278 32.929 31.700 -0.082 0.000 1.159 117 L N 0.212 121.462 121.223 0.046 0.000 3.330 117 L HA -0.109 4.231 4.340 -0.000 0.000 0.507 117 L C -0.387 176.516 176.870 0.055 0.000 1.310 117 L CA 0.029 54.917 54.840 0.080 0.000 0.906 117 L CB -2.294 39.807 42.059 0.070 0.000 1.811 117 L HN 0.000 nan 8.230 nan 0.000 0.791 118 D N -1.180 119.253 120.400 0.055 0.000 2.407 118 D HA 0.156 4.796 4.640 -0.000 0.000 0.208 118 D C 1.761 178.110 176.300 0.080 0.000 1.083 118 D CA 0.462 54.497 54.000 0.058 0.000 0.844 118 D CB 0.224 41.055 40.800 0.051 0.000 0.967 118 D HN 0.537 nan 8.370 nan 0.000 0.506 119 C N 2.259 121.623 119.300 0.106 0.000 2.294 119 C HA -0.225 4.235 4.460 -0.000 0.000 0.265 119 C C 0.189 175.234 174.990 0.091 0.000 1.115 119 C CA 1.459 60.545 59.018 0.114 0.000 1.809 119 C CB -1.742 26.069 27.740 0.118 0.000 2.010 119 C HN 0.377 nan 8.230 nan 0.000 0.425 120 P HA -0.124 nan 4.420 nan 0.000 0.216 120 P C 1.238 178.546 177.300 0.012 0.000 1.153 120 P CA 2.373 65.505 63.100 0.052 0.000 0.858 120 P CB -0.424 31.295 31.700 0.032 0.000 0.789 121 T N -0.720 113.837 114.554 0.006 0.000 2.904 121 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 121 T C 1.228 175.937 174.700 0.016 0.000 1.059 121 T CA 0.369 62.450 62.100 -0.031 0.000 1.137 121 T CB -0.900 67.975 68.868 0.011 0.000 0.879 121 T HN 0.206 nan 8.240 nan 0.000 0.467 122 C N 3.053 122.401 119.300 0.079 0.000 2.653 122 C HA 0.072 4.532 4.460 -0.000 0.000 0.421 122 C C 1.683 176.751 174.990 0.130 0.000 1.334 122 C CA -0.563 58.535 59.018 0.133 0.000 1.885 122 C CB -0.312 27.505 27.740 0.127 0.000 2.645 122 C HN 0.396 nan 8.230 nan 0.000 0.601 123 D N 1.900 122.414 120.400 0.191 0.000 2.363 123 D HA -0.008 4.632 4.640 -0.000 0.000 0.226 123 D C 1.632 177.984 176.300 0.088 0.000 1.020 123 D CA 0.640 54.736 54.000 0.159 0.000 0.892 123 D CB 0.078 41.008 40.800 0.217 0.000 0.900 123 D HN 0.522 nan 8.370 nan 0.000 0.531 124 K N 0.471 120.928 120.400 0.095 0.000 2.487 124 K HA 0.070 4.390 4.320 -0.000 0.000 0.192 124 K C 1.174 177.827 176.600 0.089 0.000 1.027 124 K CA 0.105 56.441 56.287 0.081 0.000 1.054 124 K CB -0.221 32.333 32.500 0.090 0.000 0.824 124 K HN 0.167 nan 8.250 nan 0.000 0.510 125 G N 0.436 109.292 108.800 0.093 0.000 2.529 125 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.491 125 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.491 125 G C 0.912 175.962 174.900 0.249 0.000 1.387 125 G CA 0.481 45.678 45.100 0.161 0.000 0.928 125 G HN 0.367 nan 8.290 nan 0.000 0.515 126 G N -0.469 108.580 108.800 0.415 0.000 2.956 126 G HA2 0.442 4.402 3.960 -0.000 0.000 0.207 126 G HA3 0.442 4.402 3.960 -0.000 0.000 0.207 126 G C 1.063 176.073 174.900 0.183 0.000 1.162 126 G CA 1.190 46.461 45.100 0.286 0.000 0.796 126 G HN 1.656 nan 8.290 nan 0.000 0.527 127 A N -0.357 122.554 122.820 0.151 0.000 2.577 127 A HA 0.422 4.742 4.320 -0.000 0.000 0.280 127 A C 0.586 178.201 177.584 0.051 0.000 1.331 127 A CA -0.406 51.684 52.037 0.088 0.000 0.935 127 A CB -0.606 18.436 19.000 0.069 0.000 1.082 127 A HN 0.345 nan 8.150 nan 0.000 0.525 128 C N 0.003 119.340 119.300 0.061 0.000 2.330 128 C HA 0.436 4.895 4.460 -0.000 0.000 0.344 128 C C 1.367 176.358 174.990 0.003 0.000 1.273 128 C CA -0.298 58.739 59.018 0.032 0.000 1.879 128 C CB 0.068 27.849 27.740 0.070 0.000 2.376 128 C HN 0.767 nan 8.230 nan 0.000 0.534 129 E N 2.166 122.318 120.200 -0.080 0.000 2.107 129 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 129 E C 1.694 178.249 176.600 -0.074 0.000 0.982 129 E CA 0.750 57.068 56.400 -0.137 0.000 0.809 129 E CB -0.049 29.449 29.700 -0.337 0.000 0.756 129 E HN 0.778 nan 8.360 nan 0.000 0.459 130 L N 1.619 122.786 121.223 -0.094 0.000 2.046 130 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 130 L C 2.152 179.139 176.870 0.196 0.000 1.077 130 L CA 1.816 56.767 54.840 0.185 0.000 0.747 130 L CB -0.375 41.717 42.059 0.055 0.000 0.896 130 L HN 0.060 nan 8.230 nan 0.000 0.432 131 Q N -0.570 119.297 119.800 0.112 0.000 1.993 131 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 131 Q C 1.888 177.965 176.000 0.128 0.000 0.984 131 Q CA 2.088 57.960 55.803 0.116 0.000 0.837 131 Q CB -0.171 28.628 28.738 0.101 0.000 0.902 131 Q HN 0.565 nan 8.270 nan 0.000 0.423 132 D N -0.038 120.434 120.400 0.120 0.000 2.092 132 D HA -0.166 4.473 4.640 -0.000 0.000 0.193 132 D C 1.904 178.312 176.300 0.180 0.000 0.994 132 D CA 1.193 55.266 54.000 0.122 0.000 0.828 132 D CB -0.105 40.757 40.800 0.103 0.000 0.963 132 D HN -0.001 nan 8.370 nan 0.000 0.450 133 R N -0.082 120.581 120.500 0.272 0.000 2.120 133 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 133 R C 2.257 178.727 176.300 0.283 0.000 1.123 133 R CA 1.303 57.625 56.100 0.371 0.000 0.975 133 R CB -0.693 29.892 30.300 0.474 0.000 0.866 133 R HN 0.174 nan 8.270 nan 0.000 0.446 134 T N -0.416 114.264 114.554 0.210 0.000 2.643 134 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 134 T C 1.770 176.549 174.700 0.132 0.000 1.045 134 T CA 1.492 63.682 62.100 0.151 0.000 1.155 134 T CB -0.466 68.481 68.868 0.131 0.000 0.863 134 T HN 0.055 nan 8.240 nan 0.000 0.420 135 V N 1.190 121.172 119.914 0.114 0.000 2.490 135 V HA -0.145 3.974 4.120 -0.000 0.000 0.250 135 V C 2.123 178.243 176.094 0.043 0.000 1.061 135 V CA 1.718 64.065 62.300 0.079 0.000 1.064 135 V CB -0.423 31.437 31.823 0.061 0.000 0.670 135 V HN 0.508 nan 8.190 nan 0.000 0.461 136 E N -0.716 119.512 120.200 0.047 0.000 1.987 136 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 136 E C 1.987 178.490 176.600 -0.162 0.000 0.968 136 E CA 1.834 58.169 56.400 -0.109 0.000 0.867 136 E CB -0.375 29.235 29.700 -0.149 0.000 0.819 136 E HN 0.697 nan 8.360 nan 0.000 0.516 137 Y N 1.102 121.416 120.300 0.024 0.000 2.439 137 Y HA 0.009 4.559 4.550 -0.000 0.000 0.292 137 Y C 1.948 177.851 175.900 0.004 0.000 1.130 137 Y CA 0.474 58.574 58.100 0.000 0.000 1.254 137 Y CB -1.247 37.197 38.460 -0.028 0.000 1.000 137 Y HN 0.254 nan 8.280 nan 0.000 0.554 138 G N 1.704 110.609 108.800 0.174 0.000 3.725 138 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.331 138 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.331 138 G C 0.345 175.298 174.900 0.088 0.000 0.871 138 G CA 0.771 45.937 45.100 0.109 0.000 0.725 138 G HN 0.275 nan 8.290 nan 0.000 1.346 139 L N -0.102 121.164 121.223 0.073 0.000 2.416 139 L HA 0.388 4.728 4.340 -0.000 0.000 0.272 139 L C -0.222 176.707 176.870 0.099 0.000 1.161 139 L CA -0.503 54.367 54.840 0.050 0.000 0.845 139 L CB 0.828 42.874 42.059 -0.021 0.000 1.119 139 L HN 0.503 nan 8.230 nan 0.000 0.464 140 Y N 3.982 124.253 120.300 -0.049 0.000 2.350 140 Y HA 0.500 5.050 4.550 -0.000 0.000 0.338 140 Y C -0.657 175.210 175.900 -0.056 0.000 0.961 140 Y CA -0.810 57.263 58.100 -0.045 0.000 1.100 140 Y CB 1.136 39.572 38.460 -0.040 0.000 1.179 140 Y HN 0.504 nan 8.280 nan 0.000 0.454 141 E N 3.949 123.853 120.200 -0.494 0.000 2.369 141 E HA 0.324 4.674 4.350 -0.000 0.000 0.270 141 E C -1.420 174.819 176.600 -0.602 0.000 0.909 141 E CA -1.117 54.960 56.400 -0.538 0.000 0.775 141 E CB 2.791 32.337 29.700 -0.256 0.000 1.270 141 E HN 0.538 nan 8.360 nan 0.000 0.445 152 P HA 0.185 nan 4.420 nan 0.000 0.261 152 P C -0.971 176.220 177.300 -0.181 0.000 1.173 152 P CA 0.323 63.315 63.100 -0.180 0.000 0.760 152 P CB 0.499 32.037 31.700 -0.270 0.000 0.783 153 V N 4.538 124.352 119.914 -0.166 0.000 2.348 153 V HA 0.046 4.166 4.120 -0.000 0.000 0.270 153 V C 0.488 176.519 176.094 -0.105 0.000 1.037 153 V CA 0.005 62.259 62.300 -0.077 0.000 0.872 153 V CB 0.387 32.191 31.823 -0.033 0.000 1.002 153 V HN 0.558 nan 8.190 nan 0.000 0.464 154 Y N 2.923 123.236 120.300 0.022 0.000 2.314 154 Y HA 0.086 4.636 4.550 -0.000 0.000 0.294 154 Y C 1.526 177.455 175.900 0.049 0.000 1.119 154 Y CA 1.206 59.326 58.100 0.032 0.000 1.179 154 Y CB 0.461 38.941 38.460 0.034 0.000 1.025 154 Y HN 0.571 nan 8.280 nan 0.000 0.541 155 T N -0.209 114.472 114.554 0.211 0.000 2.993 155 T HA 0.341 4.691 4.350 -0.000 0.000 0.312 155 T C -0.011 174.782 174.700 0.155 0.000 1.115 155 T CA -0.850 61.356 62.100 0.177 0.000 1.027 155 T CB 1.043 70.026 68.868 0.191 0.000 1.116 155 T HN 0.273 nan 8.240 nan 0.000 0.464 156 R N 2.633 123.238 120.500 0.176 0.000 2.437 156 R HA 0.239 4.579 4.340 -0.000 0.000 0.257 156 R C -0.226 176.252 176.300 0.297 0.000 0.927 156 R CA -0.415 55.793 56.100 0.179 0.000 1.078 156 R CB 0.148 30.528 30.300 0.133 0.000 1.161 156 R HN 0.409 nan 8.270 nan 0.000 0.529 157 F N 4.623 124.661 119.950 0.147 0.000 2.335 157 F HA 0.206 4.733 4.527 -0.000 0.000 0.365 157 F C 0.374 176.296 175.800 0.204 0.000 1.122 157 F CA -2.043 56.095 58.000 0.231 0.000 1.151 157 F CB 0.793 39.917 39.000 0.207 0.000 1.282 157 F HN 0.122 nan 8.300 nan 0.000 0.513 158 E N 4.703 124.901 120.200 -0.005 0.000 2.405 158 E HA 0.175 4.525 4.350 -0.000 0.000 0.214 158 E C -1.070 175.144 176.600 -0.644 0.000 1.101 158 E CA -0.224 55.972 56.400 -0.340 0.000 1.254 158 E CB -0.202 29.330 29.700 -0.280 0.000 1.240 158 E HN 0.315 nan 8.360 nan 0.000 0.439 159 F N 0.504 119.959 119.950 -0.825 0.000 2.557 159 F HA 0.315 4.842 4.527 -0.000 0.000 0.336 159 F C 0.795 176.270 175.800 -0.542 0.000 1.058 159 F CA -1.369 56.304 58.000 -0.545 0.000 0.988 159 F CB 1.250 40.124 39.000 -0.211 0.000 1.275 159 F HN -0.244 nan 8.300 nan 0.000 0.488 160 T N 2.556 117.093 114.554 -0.027 0.000 2.829 160 T HA 0.154 4.504 4.350 -0.000 0.000 0.293 160 T C 0.508 175.164 174.700 -0.073 0.000 0.970 160 T CA -0.238 61.830 62.100 -0.055 0.000 1.168 160 T CB -0.219 68.645 68.868 -0.007 0.000 0.911 160 T HN 0.356 nan 8.240 nan 0.000 0.535 161 R N 1.687 122.114 120.500 -0.121 0.000 2.822 161 R HA 0.253 4.593 4.340 -0.000 0.000 0.277 161 R C 0.908 177.044 176.300 -0.272 0.000 1.102 161 R CA -0.686 55.397 56.100 -0.029 0.000 1.207 161 R CB 0.464 30.826 30.300 0.104 0.000 1.139 161 R HN 0.511 nan 8.270 nan 0.000 0.557 162 R N 1.268 121.743 120.500 -0.043 0.000 2.347 162 R HA 0.070 4.410 4.340 -0.000 0.000 0.304 162 R C -0.928 175.392 176.300 0.034 0.000 1.072 162 R CA 0.020 56.104 56.100 -0.026 0.000 0.980 162 R CB 0.336 30.696 30.300 0.099 0.000 0.986 162 R HN 0.631 nan 8.270 nan 0.000 0.448 163 H N 3.375 122.495 119.070 0.084 0.000 2.589 163 H HA 0.347 4.903 4.556 -0.000 0.000 0.335 163 H C -0.031 175.308 175.328 0.018 0.000 1.019 163 H CA -1.066 55.009 56.048 0.044 0.000 1.213 163 H CB 1.685 31.468 29.762 0.036 0.000 1.472 163 H HN 0.502 nan 8.280 nan 0.000 0.508 164 V N -0.683 119.291 119.914 0.100 0.000 4.306 164 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 164 V C -0.426 175.607 176.094 -0.102 0.000 1.454 164 V CA -1.047 61.237 62.300 -0.026 0.000 0.910 164 V CB 1.120 32.898 31.823 -0.076 0.000 1.241 164 V HN 0.563 nan 8.190 nan 0.000 0.466 165 D N 0.732 121.010 120.400 -0.202 0.000 2.351 165 D HA 0.367 5.007 4.640 -0.000 0.000 0.251 165 D C -0.428 175.749 176.300 -0.206 0.000 1.137 165 D CA 0.384 54.223 54.000 -0.268 0.000 0.879 165 D CB 0.771 41.340 40.800 -0.386 0.000 1.181 165 D HN 0.653 nan 8.370 nan 0.000 0.448 166 K N 1.907 122.154 120.400 -0.254 0.000 2.324 166 K HA 0.284 4.604 4.320 -0.000 0.000 0.253 166 K C -0.886 175.431 176.600 -0.471 0.000 0.932 166 K CA -0.974 55.183 56.287 -0.216 0.000 0.799 166 K CB 0.802 33.239 32.500 -0.105 0.000 1.154 166 K HN 0.801 nan 8.250 nan 0.000 0.425 167 H N -0.168 118.946 119.070 0.075 0.000 2.672 167 H HA -0.196 4.360 4.556 -0.000 0.000 0.325 167 H C -1.676 173.724 175.328 0.120 0.000 1.158 167 H CA 0.719 56.806 56.048 0.064 0.000 1.134 167 H CB -2.399 27.369 29.762 0.010 0.000 1.553 167 H HN 0.550 nan 8.280 nan 0.000 0.419 168 H N 1.938 121.002 119.070 -0.009 0.000 2.691 168 H HA 0.313 4.868 4.556 -0.000 0.000 0.281 168 H C -2.217 173.132 175.328 0.036 0.000 1.121 168 H CA -2.102 53.952 56.048 0.010 0.000 1.254 168 H CB 1.118 30.861 29.762 -0.032 0.000 1.390 168 H HN 0.420 nan 8.280 nan 0.000 0.491 169 P HA -0.089 nan 4.420 nan 0.000 0.256 169 P C 0.647 177.982 177.300 0.058 0.000 1.173 169 P CA 0.447 63.565 63.100 0.030 0.000 0.768 169 P CB 0.852 32.542 31.700 -0.017 0.000 0.758 170 L N 2.042 123.307 121.223 0.070 0.000 2.023 170 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 170 L C 1.363 178.280 176.870 0.078 0.000 1.073 170 L CA 1.320 56.211 54.840 0.085 0.000 0.745 170 L CB -0.552 41.553 42.059 0.077 0.000 0.900 170 L HN 0.293 nan 8.230 nan 0.000 0.435 171 S N 0.866 116.599 115.700 0.055 0.000 2.422 171 S HA 0.198 4.668 4.470 -0.000 0.000 0.298 171 S C -1.459 173.186 174.600 0.074 0.000 1.118 171 S CA -1.120 57.124 58.200 0.073 0.000 1.083 171 S CB 1.390 64.612 63.200 0.037 0.000 0.971 171 S HN 0.068 nan 8.310 nan 0.000 0.478 172 P HA -0.165 nan 4.420 nan 0.000 0.222 172 P C 1.051 178.372 177.300 0.036 0.000 1.142 172 P CA 0.897 64.009 63.100 0.020 0.000 0.788 172 P CB 0.135 31.830 31.700 -0.007 0.000 0.767 173 F N 1.562 121.444 119.950 -0.113 0.000 2.038 173 F HA -0.026 4.501 4.527 -0.000 0.000 0.288 173 F C 1.559 177.212 175.800 -0.244 0.000 1.296 173 F CA 0.655 58.554 58.000 -0.169 0.000 1.133 173 F CB -0.975 37.932 39.000 -0.156 0.000 0.969 173 F HN -0.293 nan 8.300 nan 0.000 0.499 174 V N -0.719 119.168 119.914 -0.045 0.000 3.815 174 V HA 0.321 4.440 4.120 -0.000 0.000 0.284 174 V C 0.233 176.201 176.094 -0.211 0.000 1.266 174 V CA -1.102 60.959 62.300 -0.397 0.000 0.923 174 V CB 0.320 31.336 31.823 -1.345 0.000 1.267 174 V HN 0.344 nan 8.190 nan 0.000 0.461 175 I N 0.575 121.036 120.570 -0.183 0.000 7.623 175 I HA -0.171 3.999 4.170 -0.000 0.000 0.126 175 I C -0.881 175.233 176.117 -0.006 0.000 1.671 175 I CA 0.204 61.479 61.300 -0.041 0.000 2.292 175 I CB -0.847 37.154 38.000 0.001 0.000 3.366 175 I HN 0.473 nan 8.210 nan 0.000 0.240 176 L N 8.588 129.813 121.223 0.003 0.000 2.319 176 L HA 0.652 4.992 4.340 -0.000 0.000 0.281 176 L C -0.288 176.609 176.870 0.044 0.000 1.005 176 L CA -0.096 54.755 54.840 0.019 0.000 0.828 176 L CB 1.188 43.236 42.059 -0.018 0.000 1.227 176 L HN 0.487 nan 8.230 nan 0.000 0.415 177 D N 3.538 123.979 120.400 0.069 0.000 2.269 177 D HA 0.277 4.917 4.640 -0.000 0.000 0.244 177 D C -0.258 176.087 176.300 0.075 0.000 0.992 177 D CA -0.685 53.358 54.000 0.073 0.000 0.894 177 D CB 1.785 42.633 40.800 0.079 0.000 1.248 177 D HN 0.623 nan 8.370 nan 0.000 0.468 178 R N 0.561 121.102 120.500 0.068 0.000 2.586 178 R HA 0.018 4.358 4.340 -0.000 0.000 0.306 178 R C -0.200 176.119 176.300 0.031 0.000 1.079 178 R CA -0.209 55.922 56.100 0.052 0.000 1.083 178 R CB -0.279 30.059 30.300 0.065 0.000 1.306 178 R HN 0.514 nan 8.270 nan 0.000 0.567 179 E N 1.117 121.339 120.200 0.038 0.000 2.209 179 E HA -0.256 4.094 4.350 -0.000 0.000 0.223 179 E C -0.515 176.115 176.600 0.050 0.000 1.431 179 E CA 0.815 57.243 56.400 0.046 0.000 0.708 179 E CB -0.399 29.286 29.700 -0.026 0.000 1.133 179 E HN 0.397 nan 8.360 nan 0.000 0.358 180 R N 0.147 120.677 120.500 0.051 0.000 2.674 180 R HA 0.204 4.544 4.340 -0.000 0.000 0.270 180 R C -0.238 176.118 176.300 0.093 0.000 1.492 180 R CA -0.243 55.891 56.100 0.057 0.000 1.624 180 R CB 0.427 30.734 30.300 0.011 0.000 1.307 180 R HN 0.251 nan 8.270 nan 0.000 0.683 181 C N -0.839 118.507 119.300 0.078 0.000 2.668 181 C HA 0.750 5.210 4.460 -0.000 0.000 0.355 181 C C 0.995 175.996 174.990 0.018 0.000 1.277 181 C CA -1.204 57.867 59.018 0.088 0.000 1.787 181 C CB 0.671 28.424 27.740 0.022 0.000 2.233 181 C HN 0.638 nan 8.230 nan 0.000 0.495 182 I N -0.732 119.882 120.570 0.074 0.000 2.834 182 I HA 0.461 4.631 4.170 -0.000 0.000 0.305 182 I C -0.573 175.551 176.117 0.010 0.000 1.008 182 I CA -0.341 61.044 61.300 0.142 0.000 1.273 182 I CB 0.425 38.567 38.000 0.237 0.000 1.432 182 I HN 0.680 nan 8.210 nan 0.000 0.557 183 H N 3.110 122.246 119.070 0.110 0.000 2.702 183 H HA 0.347 4.903 4.556 -0.000 0.000 0.252 183 H C 0.259 175.648 175.328 0.101 0.000 1.493 183 H CA -0.760 55.328 56.048 0.066 0.000 1.273 183 H CB 0.294 29.978 29.762 -0.131 0.000 1.537 183 H HN 0.845 nan 8.280 nan 0.000 0.547 184 C N 0.935 120.382 119.300 0.245 0.000 2.551 184 C HA 0.493 4.952 4.460 -0.000 0.000 0.377 184 C C 1.309 176.484 174.990 0.309 0.000 1.622 184 C CA -0.635 58.519 59.018 0.227 0.000 1.980 184 C CB 1.336 29.176 27.740 0.166 0.000 1.946 184 C HN 0.800 nan 8.230 nan 0.000 0.525 185 K N -1.197 119.357 120.400 0.256 0.000 2.477 185 K HA 0.222 4.541 4.320 -0.000 0.000 0.208 185 K C 2.181 178.884 176.600 0.173 0.000 1.117 185 K CA -0.257 56.209 56.287 0.299 0.000 1.039 185 K CB 0.036 32.714 32.500 0.297 0.000 0.937 185 K HN 0.630 nan 8.250 nan 0.000 0.570 186 R N 0.327 120.912 120.500 0.141 0.000 2.227 186 R HA -0.329 4.011 4.340 -0.000 0.000 0.259 186 R C 2.459 178.814 176.300 0.091 0.000 1.139 186 R CA 2.461 58.626 56.100 0.108 0.000 0.969 186 R CB -1.206 29.134 30.300 0.066 0.000 0.903 186 R HN 0.471 nan 8.270 nan 0.000 0.452 187 C N -0.530 118.802 119.300 0.053 0.000 2.508 187 C HA 0.033 4.493 4.460 -0.000 0.000 0.280 187 C C 2.765 177.803 174.990 0.078 0.000 1.262 187 C CA 0.398 59.419 59.018 0.006 0.000 1.706 187 C CB -1.331 26.404 27.740 -0.008 0.000 2.078 187 C HN 0.435 nan 8.230 nan 0.000 0.480 188 V N 1.537 121.481 119.914 0.051 0.000 2.343 188 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 188 V C 2.844 178.996 176.094 0.098 0.000 1.051 188 V CA 2.447 64.789 62.300 0.070 0.000 1.036 188 V CB -1.243 30.473 31.823 -0.179 0.000 0.654 188 V HN 0.645 nan 8.190 nan 0.000 0.451 189 R N -0.372 120.175 120.500 0.079 0.000 2.080 189 R HA -0.234 4.106 4.340 -0.000 0.000 0.236 189 R C 2.340 178.679 176.300 0.065 0.000 1.137 189 R CA 2.321 58.470 56.100 0.081 0.000 0.943 189 R CB -1.014 29.350 30.300 0.108 0.000 0.846 189 R HN 0.696 nan 8.270 nan 0.000 0.431 190 Y N 0.452 120.719 120.300 -0.054 0.000 2.014 190 Y HA -0.317 4.233 4.550 -0.000 0.000 0.272 190 Y C 1.778 177.590 175.900 -0.146 0.000 1.164 190 Y CA 2.137 60.139 58.100 -0.164 0.000 1.114 190 Y CB -0.882 37.397 38.460 -0.301 0.000 0.961 190 Y HN 0.080 nan 8.280 nan 0.000 0.489 191 F N 1.009 120.837 119.950 -0.204 0.000 2.063 191 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 191 F C 2.583 178.224 175.800 -0.265 0.000 1.105 191 F CA 2.237 60.067 58.000 -0.284 0.000 1.215 191 F CB -1.237 37.738 39.000 -0.043 0.000 0.972 191 F HN 0.426 nan 8.300 nan 0.000 0.483 192 E N -0.132 120.095 120.200 0.045 0.000 2.347 192 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 192 E C 1.591 178.149 176.600 -0.070 0.000 1.008 192 E CA 1.553 57.951 56.400 -0.003 0.000 0.852 192 E CB -0.386 29.316 29.700 0.004 0.000 0.783 192 E HN 0.537 nan 8.360 nan 0.000 0.505 193 E N -0.348 119.765 120.200 -0.145 0.000 2.132 193 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 193 E C 1.796 178.252 176.600 -0.241 0.000 0.951 193 E CA 0.762 57.064 56.400 -0.165 0.000 0.843 193 E CB 0.400 30.037 29.700 -0.105 0.000 0.807 193 E HN 0.135 nan 8.360 nan 0.000 0.467 194 V N 1.945 121.569 119.914 -0.483 0.000 2.365 194 V HA -0.070 4.050 4.120 -0.000 0.000 0.232 194 V C -1.005 174.836 176.094 -0.422 0.000 1.065 194 V CA 1.184 63.146 62.300 -0.564 0.000 1.054 194 V CB -1.403 29.781 31.823 -1.066 0.000 0.685 194 V HN 0.186 nan 8.190 nan 0.000 0.480 195 P HA -0.053 nan 4.420 nan 0.000 0.218 195 P C 1.190 178.531 177.300 0.068 0.000 1.149 195 P CA 2.086 64.946 63.100 -0.399 0.000 0.817 195 P CB -0.087 31.457 31.700 -0.260 0.000 0.785 196 G N -0.035 108.817 108.800 0.086 0.000 2.132 196 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.234 196 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.234 196 G C -0.456 174.550 174.900 0.178 0.000 0.989 196 G CA -0.105 45.153 45.100 0.264 0.000 0.676 196 G HN 0.350 nan 8.290 nan 0.000 0.522 197 D N 1.284 121.737 120.400 0.089 0.000 2.460 197 D HA 0.343 4.982 4.640 -0.000 0.000 0.268 197 D C 0.124 176.338 176.300 -0.143 0.000 1.153 197 D CA -0.334 53.669 54.000 0.006 0.000 0.929 197 D CB 0.637 41.447 40.800 0.016 0.000 1.015 197 D HN 0.488 nan 8.370 nan 0.000 0.502 198 E N 0.537 120.677 120.200 -0.100 0.000 2.271 198 E HA 0.084 4.434 4.350 -0.000 0.000 0.255 198 E C 1.064 177.496 176.600 -0.280 0.000 1.177 198 E CA -0.036 56.274 56.400 -0.150 0.000 0.946 198 E CB 0.486 30.148 29.700 -0.063 0.000 1.009 198 E HN 0.228 nan 8.360 nan 0.000 0.451 199 V N 1.066 120.649 119.914 -0.550 0.000 2.991 199 V HA 0.438 4.558 4.120 -0.000 0.000 0.355 199 V C -0.415 175.440 176.094 -0.399 0.000 1.384 199 V CA -0.625 61.376 62.300 -0.499 0.000 1.171 199 V CB -0.192 31.272 31.823 -0.599 0.000 1.190 199 V HN 0.332 nan 8.190 nan 0.000 0.540 200 L N 0.609 121.680 121.223 -0.253 0.000 2.592 200 L HA 0.886 5.226 4.340 -0.000 0.000 0.258 200 L C -1.410 175.385 176.870 -0.126 0.000 0.926 200 L CA 0.279 55.057 54.840 -0.105 0.000 0.885 200 L CB 2.214 44.332 42.059 0.098 0.000 1.380 200 L HN 0.339 nan 8.230 nan 0.000 0.415 201 D N 0.784 121.075 120.400 -0.181 0.000 2.713 201 D HA 0.403 5.043 4.640 -0.000 0.000 0.306 201 D C -1.332 174.783 176.300 -0.308 0.000 1.299 201 D CA -0.239 53.585 54.000 -0.294 0.000 0.823 201 D CB 1.483 42.192 40.800 -0.152 0.000 1.353 201 D HN 0.087 nan 8.370 nan 0.000 0.447 202 F N 0.548 120.494 119.950 -0.006 0.000 2.370 202 F HA 0.480 5.007 4.527 -0.000 0.000 0.324 202 F C 0.625 176.323 175.800 -0.169 0.000 1.116 202 F CA -0.389 57.578 58.000 -0.055 0.000 1.123 202 F CB 0.612 39.606 39.000 -0.010 0.000 1.238 202 F HN 0.057 nan 8.300 nan 0.000 0.536 203 I N 0.736 121.205 120.570 -0.169 0.000 2.533 203 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 203 I C -0.121 175.746 176.117 -0.417 0.000 1.056 203 I CA -1.080 59.981 61.300 -0.398 0.000 1.057 203 I CB 0.987 38.530 38.000 -0.762 0.000 1.240 203 I HN 0.758 nan 8.210 nan 0.000 0.423 204 E N 3.538 123.619 120.200 -0.197 0.000 8.281 204 E HA -0.198 4.152 4.350 -0.000 0.000 0.174 204 E C -0.460 176.104 176.600 -0.060 0.000 1.453 204 E CA 0.367 56.707 56.400 -0.100 0.000 2.520 204 E CB -0.029 29.624 29.700 -0.078 0.000 1.431 204 E HN 0.831 nan 8.360 nan 0.000 0.461 205 R N -0.610 119.885 120.500 -0.007 0.000 2.795 205 R HA 0.735 5.075 4.340 -0.000 0.000 0.268 205 R C 0.411 176.702 176.300 -0.014 0.000 1.041 205 R CA -0.487 55.594 56.100 -0.030 0.000 0.927 205 R CB 1.360 31.639 30.300 -0.036 0.000 1.235 205 R HN 1.212 nan 8.270 nan 0.000 0.463 206 G N -0.117 108.621 108.800 -0.105 0.000 2.553 206 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 206 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 206 G C 0.605 175.353 174.900 -0.253 0.000 1.277 206 G CA 0.107 45.113 45.100 -0.157 0.000 0.910 206 G HN 1.337 nan 8.290 nan 0.000 0.576 207 V N -1.597 118.094 119.914 -0.372 0.000 3.440 207 V HA 0.077 4.197 4.120 -0.000 0.000 0.274 207 V C 1.671 177.504 176.094 -0.436 0.000 1.207 207 V CA 2.362 64.398 62.300 -0.439 0.000 1.183 207 V CB -0.951 30.587 31.823 -0.474 0.000 0.837 207 V HN 0.732 nan 8.190 nan 0.000 0.532 208 H N 0.211 119.284 119.070 0.006 0.000 2.885 208 H HA 0.171 4.727 4.556 -0.000 0.000 0.260 208 H C 1.527 176.961 175.328 0.177 0.000 0.985 208 H CA 0.681 56.798 56.048 0.115 0.000 1.210 208 H CB 0.182 30.002 29.762 0.097 0.000 1.466 208 H HN 0.641 nan 8.280 nan 0.000 0.493 209 T N 1.141 115.762 114.554 0.112 0.000 2.923 209 T HA 0.133 4.483 4.350 -0.000 0.000 0.304 209 T C 0.104 174.983 174.700 0.298 0.000 1.044 209 T CA -0.019 62.104 62.100 0.039 0.000 1.141 209 T CB -0.303 68.490 68.868 -0.126 0.000 1.023 209 T HN 0.228 nan 8.240 nan 0.000 0.533 210 F N 1.064 121.191 119.950 0.294 0.000 2.726 210 F HA 0.713 5.240 4.527 -0.000 0.000 0.324 210 F C 0.284 176.291 175.800 0.344 0.000 1.140 210 F CA -1.896 56.286 58.000 0.303 0.000 0.964 210 F CB 0.310 39.426 39.000 0.193 0.000 1.399 210 F HN 0.333 nan 8.300 nan 0.000 0.491 211 I N 1.596 122.524 120.570 0.597 0.000 3.684 211 I HA 0.279 4.449 4.170 -0.000 0.000 0.304 211 I C 1.615 177.877 176.117 0.243 0.000 1.278 211 I CA 0.276 61.776 61.300 0.332 0.000 1.272 211 I CB -1.069 37.064 38.000 0.220 0.000 1.029 211 I HN 0.878 nan 8.210 nan 0.000 0.458 212 G N 0.294 109.347 108.800 0.422 0.000 4.109 212 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.496 212 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.496 212 G C 0.232 175.161 174.900 0.048 0.000 1.341 212 G CA 0.690 45.944 45.100 0.256 0.000 0.997 212 G HN 0.373 nan 8.290 nan 0.000 0.679 213 T N -2.135 112.395 114.554 -0.040 0.000 2.647 213 T HA 0.604 4.954 4.350 -0.000 0.000 0.295 213 T C 0.344 174.812 174.700 -0.386 0.000 1.126 213 T CA -0.567 61.404 62.100 -0.215 0.000 1.040 213 T CB 1.343 70.041 68.868 -0.284 0.000 1.472 213 T HN 0.382 nan 8.240 nan 0.000 0.500 214 M N 0.697 119.952 119.600 -0.575 0.000 2.227 214 M HA 0.243 4.723 4.480 -0.000 0.000 0.422 214 M C -1.153 174.752 176.300 -0.658 0.000 0.947 214 M CA 0.180 55.091 55.300 -0.649 0.000 1.034 214 M CB 0.366 32.859 32.600 -0.178 0.000 2.060 214 M HN 0.496 nan 8.290 nan 0.000 0.689 215 D N 0.400 120.447 120.400 -0.587 0.000 2.683 215 D HA 0.304 4.944 4.640 -0.000 0.000 0.309 215 D C 0.825 176.960 176.300 -0.274 0.000 1.238 215 D CA -0.253 53.582 54.000 -0.275 0.000 0.936 215 D CB -0.006 40.681 40.800 -0.188 0.000 1.001 215 D HN -0.045 nan 8.370 nan 0.000 0.505 216 F N 0.801 120.745 119.950 -0.010 0.000 2.101 216 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 216 F C 2.563 178.368 175.800 0.008 0.000 1.076 216 F CA 1.530 59.531 58.000 0.003 0.000 1.248 216 F CB -0.608 38.395 39.000 0.005 0.000 0.999 216 F HN 0.388 nan 8.300 nan 0.000 0.488 217 G N -0.310 108.579 108.800 0.149 0.000 3.088 217 G HA2 0.199 4.158 3.960 -0.000 0.000 0.212 217 G HA3 0.199 4.158 3.960 -0.000 0.000 0.212 217 G C 0.516 175.460 174.900 0.074 0.000 1.173 217 G CA -0.148 45.015 45.100 0.106 0.000 0.779 217 G HN 0.328 nan 8.290 nan 0.000 0.540 218 L N -0.924 120.311 121.223 0.021 0.000 3.746 218 L HA -0.151 4.189 4.340 -0.000 0.000 0.542 218 L C -0.913 175.979 176.870 0.037 0.000 1.268 218 L CA -0.044 54.794 54.840 -0.002 0.000 0.818 218 L CB -1.353 40.745 42.059 0.066 0.000 1.472 218 L HN 0.214 nan 8.230 nan 0.000 0.843 219 P HA -0.220 nan 4.420 nan 0.000 0.221 219 P C 1.095 178.437 177.300 0.070 0.000 1.160 219 P CA 2.136 65.259 63.100 0.038 0.000 0.933 219 P CB 0.090 31.792 31.700 0.004 0.000 0.793 220 S N -0.921 114.819 115.700 0.068 0.000 2.576 220 S HA 0.317 4.787 4.470 -0.000 0.000 0.272 220 S C 0.886 175.554 174.600 0.114 0.000 1.352 220 S CA -0.262 58.013 58.200 0.125 0.000 1.021 220 S CB 0.253 63.564 63.200 0.186 0.000 0.887 220 S HN 0.249 nan 8.310 nan 0.000 0.542 221 G N -0.063 108.737 108.800 -0.001 0.000 2.508 221 G HA2 0.452 4.412 3.960 -0.000 0.000 0.278 221 G HA3 0.452 4.412 3.960 -0.000 0.000 0.278 221 G C -0.279 174.503 174.900 -0.197 0.000 1.389 221 G CA -0.728 44.167 45.100 -0.341 0.000 1.050 221 G HN 1.018 nan 8.290 nan 0.000 0.522 222 F N -1.156 118.792 119.950 -0.004 0.000 3.079 222 F HA -0.275 4.252 4.527 -0.000 0.000 0.285 222 F C 2.211 178.102 175.800 0.151 0.000 0.819 222 F CA 0.869 58.888 58.000 0.031 0.000 1.067 222 F CB -2.224 36.754 39.000 -0.037 0.000 1.263 222 F HN 0.427 nan 8.300 nan 0.000 0.458 223 S N -0.668 115.204 115.700 0.287 0.000 2.446 223 S HA 0.136 4.606 4.470 -0.000 0.000 0.225 223 S C 2.321 177.028 174.600 0.178 0.000 1.016 223 S CA 0.603 59.010 58.200 0.345 0.000 0.943 223 S CB -0.536 62.870 63.200 0.343 0.000 0.786 223 S HN 0.574 nan 8.310 nan 0.000 0.508 224 G N 3.024 111.938 108.800 0.190 0.000 2.440 224 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 224 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 224 G C 1.463 176.358 174.900 -0.009 0.000 1.154 224 G CA 0.992 46.199 45.100 0.177 0.000 0.767 224 G HN 0.563 nan 8.290 nan 0.000 0.552 225 N N 1.298 119.940 118.700 -0.096 0.000 2.184 225 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 225 N C 2.334 177.630 175.510 -0.357 0.000 1.011 225 N CA 1.634 54.576 53.050 -0.179 0.000 0.867 225 N CB -0.404 37.967 38.487 -0.194 0.000 0.993 225 N HN 0.686 nan 8.380 nan 0.000 0.433 226 I N -1.191 119.087 120.570 -0.486 0.000 2.423 226 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 226 I C 1.834 177.857 176.117 -0.157 0.000 1.151 226 I CA 1.192 62.253 61.300 -0.399 0.000 1.421 226 I CB -0.965 36.834 38.000 -0.336 0.000 1.079 226 I HN -0.122 nan 8.210 nan 0.000 0.431 227 T N 1.398 115.911 114.554 -0.068 0.000 2.674 227 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 227 T C 1.444 176.130 174.700 -0.024 0.000 1.039 227 T CA 2.240 64.339 62.100 -0.001 0.000 1.150 227 T CB -0.394 68.523 68.868 0.082 0.000 0.864 227 T HN 0.424 nan 8.240 nan 0.000 0.427 228 D N 0.537 120.913 120.400 -0.040 0.000 2.218 228 D HA 0.018 4.658 4.640 -0.000 0.000 0.204 228 D C 1.910 178.176 176.300 -0.057 0.000 0.976 228 D CA 0.625 54.598 54.000 -0.044 0.000 0.853 228 D CB -0.188 40.583 40.800 -0.049 0.000 0.939 228 D HN 0.438 nan 8.370 nan 0.000 0.481 229 I N -0.450 120.077 120.570 -0.070 0.000 2.494 229 I HA -0.045 4.124 4.170 -0.000 0.000 0.250 229 I C 1.048 177.128 176.117 -0.062 0.000 1.112 229 I CA -0.098 61.167 61.300 -0.059 0.000 1.438 229 I CB -0.193 37.781 38.000 -0.045 0.000 1.111 229 I HN -0.035 nan 8.210 nan 0.000 0.431 230 C N 5.962 125.227 119.300 -0.058 0.000 2.421 230 C HA 0.008 4.468 4.460 -0.000 0.000 0.401 230 C C -0.365 174.588 174.990 -0.062 0.000 1.493 230 C CA -1.172 57.820 59.018 -0.042 0.000 1.416 230 C CB -0.586 27.145 27.740 -0.015 0.000 2.451 230 C HN 0.285 nan 8.230 nan 0.000 0.624 231 P HA -0.020 nan 4.420 nan 0.000 0.242 231 P C 0.248 177.458 177.300 -0.149 0.000 1.198 231 P CA 1.131 64.115 63.100 -0.193 0.000 0.756 231 P CB -0.200 31.276 31.700 -0.372 0.000 0.911 232 V N -3.132 116.750 119.914 -0.054 0.000 3.189 232 V HA 0.576 4.696 4.120 -0.000 0.000 0.312 232 V C 1.856 177.987 176.094 0.062 0.000 1.452 232 V CA -0.184 62.127 62.300 0.018 0.000 1.006 232 V CB 0.121 31.983 31.823 0.064 0.000 1.083 232 V HN -0.121 nan 8.190 nan 0.000 0.481 233 G N -0.752 108.117 108.800 0.115 0.000 2.551 233 G HA2 0.380 4.340 3.960 -0.000 0.000 0.216 233 G HA3 0.380 4.340 3.960 -0.000 0.000 0.216 233 G C 0.612 175.565 174.900 0.088 0.000 1.137 233 G CA 0.821 45.985 45.100 0.108 0.000 0.798 233 G HN 1.137 nan 8.290 nan 0.000 0.536 234 A N -0.207 122.664 122.820 0.085 0.000 2.296 234 A HA 0.598 4.918 4.320 -0.000 0.000 0.264 234 A C 0.701 178.322 177.584 0.062 0.000 1.097 234 A CA -0.397 51.684 52.037 0.074 0.000 0.811 234 A CB 0.205 19.250 19.000 0.075 0.000 1.072 234 A HN 0.690 nan 8.150 nan 0.000 0.495 235 L N -0.536 120.723 121.223 0.060 0.000 3.571 235 L HA -0.147 4.193 4.340 -0.000 0.000 0.630 235 L C -0.782 176.114 176.870 0.042 0.000 1.265 235 L CA 0.453 55.322 54.840 0.049 0.000 0.998 235 L CB -2.063 40.019 42.059 0.038 0.000 1.574 235 L HN 0.649 nan 8.230 nan 0.000 0.867 236 L N 0.494 121.743 121.223 0.043 0.000 2.319 236 L HA 0.487 4.827 4.340 -0.000 0.000 0.267 236 L C 0.680 177.577 176.870 0.045 0.000 1.011 236 L CA -0.756 54.110 54.840 0.043 0.000 0.818 236 L CB 2.072 44.154 42.059 0.038 0.000 1.316 236 L HN 0.163 nan 8.230 nan 0.000 0.432 237 D N 2.098 122.542 120.400 0.075 0.000 2.359 237 D HA 0.011 4.650 4.640 -0.000 0.000 0.250 237 D C 0.594 176.929 176.300 0.059 0.000 1.264 237 D CA -0.143 53.929 54.000 0.120 0.000 0.911 237 D CB 1.231 42.155 40.800 0.207 0.000 1.056 237 D HN 0.340 nan 8.370 nan 0.000 0.499 238 L N 4.235 125.452 121.223 -0.010 0.000 2.291 238 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 238 L C 2.058 178.939 176.870 0.018 0.000 1.120 238 L CA 1.378 56.199 54.840 -0.031 0.000 0.799 238 L CB -0.774 41.250 42.059 -0.059 0.000 0.925 238 L HN 0.411 nan 8.230 nan 0.000 0.446 239 T N -0.556 114.040 114.554 0.069 0.000 2.897 239 T HA -0.079 4.271 4.350 -0.000 0.000 0.271 239 T C 1.038 175.864 174.700 0.209 0.000 1.084 239 T CA 1.249 63.463 62.100 0.190 0.000 1.123 239 T CB -0.196 68.916 68.868 0.406 0.000 0.865 239 T HN 0.518 nan 8.240 nan 0.000 0.496 240 A N 1.047 123.959 122.820 0.153 0.000 2.806 240 A HA 0.431 4.751 4.320 -0.000 0.000 0.266 240 A C 0.359 177.980 177.584 0.062 0.000 0.926 240 A CA -0.697 51.405 52.037 0.108 0.000 1.068 240 A CB 0.073 19.131 19.000 0.097 0.000 1.189 240 A HN 0.545 nan 8.150 nan 0.000 0.481 241 R N -0.670 119.840 120.500 0.017 0.000 2.539 241 R HA 0.438 4.778 4.340 -0.000 0.000 0.275 241 R C -0.691 175.658 176.300 0.082 0.000 1.077 241 R CA -0.340 55.740 56.100 -0.034 0.000 1.097 241 R CB 0.019 30.171 30.300 -0.245 0.000 1.018 241 R HN 0.238 nan 8.270 nan 0.000 0.483 242 F N 1.425 121.360 119.950 -0.026 0.000 2.738 242 F HA -0.245 4.282 4.527 0.000 0.000 0.232 242 F C 0.486 176.260 175.800 -0.044 0.000 1.025 242 F CA 0.550 58.526 58.000 -0.040 0.000 0.895 242 F CB -1.064 37.913 39.000 -0.038 0.000 0.839 242 F HN 0.820 nan 8.300 nan 0.000 0.850 243 R N -0.257 120.312 120.500 0.115 0.000 2.197 243 R HA 0.697 5.037 4.340 -0.000 0.000 0.188 243 R C 0.691 176.972 176.300 -0.031 0.000 1.015 243 R CA 0.915 57.035 56.100 0.033 0.000 1.132 243 R CB 0.579 30.887 30.300 0.014 0.000 1.134 243 R HN 0.300 nan 8.270 nan 0.000 0.560 244 A N 1.003 123.780 122.820 -0.071 0.000 2.601 244 A HA 0.607 4.927 4.320 -0.000 0.000 0.291 244 A C -1.264 176.173 177.584 -0.245 0.000 1.075 244 A CA -0.833 51.111 52.037 -0.156 0.000 0.671 244 A CB 1.407 20.316 19.000 -0.152 0.000 1.277 244 A HN -0.063 nan 8.150 nan 0.000 0.417 245 R N 1.440 121.678 120.500 -0.437 0.000 2.441 245 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 245 R C 0.993 176.839 176.300 -0.757 0.000 1.070 245 R CA -0.655 55.020 56.100 -0.709 0.000 1.047 245 R CB 0.337 29.886 30.300 -1.251 0.000 1.016 245 R HN 0.829 nan 8.270 nan 0.000 0.477 246 N N 1.920 120.322 118.700 -0.497 0.000 2.139 246 N HA -0.262 4.478 4.740 -0.000 0.000 0.199 246 N C 1.656 177.085 175.510 -0.134 0.000 1.003 246 N CA 2.433 55.349 53.050 -0.225 0.000 0.892 246 N CB -0.244 38.224 38.487 -0.032 0.000 1.039 246 N HN 0.713 nan 8.380 nan 0.000 0.461 247 W N 1.576 122.878 121.300 0.002 0.000 2.418 247 W HA 0.123 4.783 4.660 -0.000 0.000 0.292 247 W C 1.845 178.361 176.519 -0.004 0.000 1.213 247 W CA 0.221 57.566 57.345 -0.001 0.000 1.283 247 W CB -0.813 28.647 29.460 0.000 0.000 1.119 247 W HN -0.052 nan 8.180 nan 0.000 0.542 248 E N 0.935 120.868 120.200 -0.446 0.000 2.130 248 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 248 E C 1.324 177.869 176.600 -0.092 0.000 0.998 248 E CA 1.014 57.297 56.400 -0.196 0.000 0.806 248 E CB -0.455 29.033 29.700 -0.354 0.000 0.738 248 E HN 0.239 nan 8.360 nan 0.000 0.459 249 M N 1.110 120.635 119.600 -0.124 0.000 2.252 249 M HA -0.006 4.474 4.480 -0.000 0.000 0.329 249 M C 0.419 176.701 176.300 -0.029 0.000 1.101 249 M CA 0.775 56.029 55.300 -0.078 0.000 1.117 249 M CB 0.144 32.695 32.600 -0.083 0.000 1.563 249 M HN -0.040 nan 8.290 nan 0.000 0.445 250 E N 2.341 122.521 120.200 -0.033 0.000 2.035 250 E HA 0.182 4.532 4.350 -0.000 0.000 0.271 250 E C -0.930 175.657 176.600 -0.021 0.000 0.953 250 E CA -0.227 56.164 56.400 -0.016 0.000 0.777 250 E CB 0.647 30.335 29.700 -0.018 0.000 1.104 250 E HN 0.502 nan 8.360 nan 0.000 0.408 251 E N 2.837 123.033 120.200 -0.007 0.000 2.299 251 E HA 0.101 4.451 4.350 -0.000 0.000 0.272 251 E C -0.832 175.767 176.600 -0.002 0.000 1.043 251 E CA 0.307 56.702 56.400 -0.007 0.000 0.895 251 E CB 1.040 30.743 29.700 0.005 0.000 1.011 251 E HN 0.317 nan 8.360 nan 0.000 0.432 252 T N 4.868 119.419 114.554 -0.004 0.000 2.892 252 T HA 0.282 4.632 4.350 -0.000 0.000 0.311 252 T C -2.443 172.273 174.700 0.027 0.000 1.033 252 T CA -1.595 60.510 62.100 0.010 0.000 0.991 252 T CB 1.179 70.050 68.868 0.005 0.000 0.981 252 T HN 0.289 nan 8.240 nan 0.000 0.457 253 P HA 0.464 nan 4.420 nan 0.000 0.286 253 P C -0.375 176.960 177.300 0.058 0.000 1.269 253 P CA 0.037 63.161 63.100 0.040 0.000 0.787 253 P CB 1.705 33.422 31.700 0.027 0.000 0.920 254 T N 1.006 115.607 114.554 0.080 0.000 2.647 254 T HA 0.375 4.725 4.350 -0.000 0.000 0.302 254 T C -1.182 173.573 174.700 0.091 0.000 1.389 254 T CA -0.204 61.951 62.100 0.092 0.000 1.037 254 T CB 0.703 69.650 68.868 0.132 0.000 1.755 254 T HN 0.263 nan 8.240 nan 0.000 0.467 255 T N 1.296 115.902 114.554 0.086 0.000 2.797 255 T HA 0.468 4.818 4.350 -0.000 0.000 0.279 255 T C -0.197 174.507 174.700 0.007 0.000 0.991 255 T CA -0.342 61.778 62.100 0.034 0.000 0.979 255 T CB 0.607 69.463 68.868 -0.020 0.000 0.943 255 T HN 0.811 nan 8.240 nan 0.000 0.444 256 C N 3.886 123.184 119.300 -0.004 0.000 2.629 256 C HA 0.658 5.118 4.460 -0.000 0.000 0.410 256 C C 1.036 175.759 174.990 -0.446 0.000 1.339 256 C CA -0.447 58.517 59.018 -0.090 0.000 1.810 256 C CB -1.768 26.006 27.740 0.055 0.000 2.549 256 C HN 0.935 nan 8.230 nan 0.000 0.589 257 A N 6.366 128.465 122.820 -1.202 0.000 3.219 257 A HA 0.440 4.760 4.320 -0.000 0.000 0.314 257 A C 0.626 177.806 177.584 -0.674 0.000 1.081 257 A CA -0.284 51.196 52.037 -0.928 0.000 0.995 257 A CB -0.210 18.207 19.000 -0.971 0.000 1.067 257 A HN 0.974 nan 8.150 nan 0.000 0.533 258 L N -0.313 120.727 121.223 -0.306 0.000 2.556 258 L HA 0.171 4.511 4.340 -0.000 0.000 0.226 258 L C 0.854 177.730 176.870 0.009 0.000 1.089 258 L CA 0.449 55.289 54.840 -0.000 0.000 0.864 258 L CB 0.530 42.633 42.059 0.073 0.000 1.067 258 L HN 0.836 nan 8.230 nan 0.000 0.477 259 C N -4.622 114.651 119.300 -0.045 0.000 3.336 259 C HA 0.450 4.910 4.460 -0.000 0.000 0.339 259 C C -1.857 173.108 174.990 -0.042 0.000 1.468 259 C CA -1.192 57.806 59.018 -0.034 0.000 1.287 259 C CB 0.929 28.642 27.740 -0.044 0.000 1.682 259 C HN -0.136 nan 8.230 nan 0.000 0.451 260 P HA -0.074 nan 4.420 nan 0.000 0.217 260 P C 1.767 179.047 177.300 -0.032 0.000 1.150 260 P CA 2.482 65.564 63.100 -0.029 0.000 0.832 260 P CB -0.075 31.614 31.700 -0.018 0.000 0.787 261 V N -3.247 116.653 119.914 -0.023 0.000 2.867 261 V HA 0.010 4.130 4.120 -0.000 0.000 0.260 261 V C 1.354 177.433 176.094 -0.025 0.000 1.099 261 V CA 0.938 63.230 62.300 -0.013 0.000 1.122 261 V CB -2.184 29.645 31.823 0.009 0.000 0.708 261 V HN 0.269 nan 8.190 nan 0.000 0.490 262 G N 0.281 109.051 108.800 -0.051 0.000 2.306 262 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.274 262 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.274 262 G C 0.328 175.206 174.900 -0.037 0.000 0.890 262 G CA 0.365 45.425 45.100 -0.067 0.000 1.298 262 G HN 0.793 nan 8.290 nan 0.000 0.445 263 C N -0.270 119.018 119.300 -0.021 0.000 2.978 263 C HA 0.596 5.056 4.460 -0.000 0.000 0.253 263 C C 1.681 176.668 174.990 -0.005 0.000 1.533 263 C CA 0.511 59.528 59.018 -0.002 0.000 1.858 263 C CB -0.007 27.744 27.740 0.018 0.000 2.015 263 C HN 1.232 nan 8.230 nan 0.000 0.643 264 G N -0.126 108.673 108.800 -0.002 0.000 2.590 264 G HA2 0.713 4.673 3.960 -0.000 0.000 0.310 264 G HA3 0.713 4.673 3.960 -0.000 0.000 0.310 264 G C -0.962 173.947 174.900 0.015 0.000 1.347 264 G CA -0.344 44.757 45.100 0.002 0.000 0.963 264 G HN 0.855 nan 8.290 nan 0.000 0.494 265 I N -1.276 119.321 120.570 0.044 0.000 3.343 265 I HA 0.889 5.059 4.170 -0.000 0.000 0.315 265 I C -0.828 175.320 176.117 0.052 0.000 1.153 265 I CA -1.208 60.125 61.300 0.055 0.000 0.952 265 I CB 2.438 40.507 38.000 0.115 0.000 1.287 265 I HN 0.337 nan 8.210 nan 0.000 0.472 266 T N 1.491 116.068 114.554 0.039 0.000 2.991 266 T HA 0.718 5.068 4.350 -0.000 0.000 0.303 266 T C -0.697 174.004 174.700 0.002 0.000 1.015 266 T CA -0.482 61.630 62.100 0.021 0.000 1.007 266 T CB 1.621 70.490 68.868 0.000 0.000 1.034 266 T HN 0.869 nan 8.240 nan 0.000 0.446 267 A N 2.751 125.565 122.820 -0.009 0.000 2.267 267 A HA 0.622 4.942 4.320 -0.000 0.000 0.315 267 A C -0.492 177.031 177.584 -0.102 0.000 1.297 267 A CA -0.810 51.176 52.037 -0.084 0.000 0.865 267 A CB 0.250 19.192 19.000 -0.096 0.000 1.165 267 A HN 0.723 nan 8.150 nan 0.000 0.513 268 D N 2.894 123.217 120.400 -0.128 0.000 2.343 268 D HA 0.422 5.062 4.640 -0.000 0.000 0.255 268 D C 0.277 176.494 176.300 -0.138 0.000 1.187 268 D CA 0.762 54.696 54.000 -0.110 0.000 0.875 268 D CB 1.230 41.969 40.800 -0.101 0.000 1.136 268 D HN 0.586 nan 8.370 nan 0.000 0.469 269 T N -0.123 114.368 114.554 -0.105 0.000 2.909 269 T HA 0.714 5.063 4.350 -0.000 0.000 0.299 269 T C -0.290 174.365 174.700 -0.075 0.000 1.073 269 T CA -1.170 60.868 62.100 -0.104 0.000 0.999 269 T CB 2.509 71.317 68.868 -0.100 0.000 1.098 269 T HN 0.359 nan 8.240 nan 0.000 0.477 270 R N 1.039 121.496 120.500 -0.071 0.000 2.518 270 R HA 0.498 4.838 4.340 -0.000 0.000 0.287 270 R C -0.821 175.452 176.300 -0.045 0.000 1.135 270 R CA -0.302 55.765 56.100 -0.055 0.000 0.967 270 R CB 0.975 31.238 30.300 -0.063 0.000 1.212 270 R HN 0.894 nan 8.270 nan 0.000 0.422 271 S N 2.637 118.316 115.700 -0.034 0.000 3.783 271 S HA -0.156 4.314 4.470 -0.000 0.000 0.360 271 S C 0.921 175.503 174.600 -0.030 0.000 1.006 271 S CA 1.258 59.442 58.200 -0.026 0.000 1.115 271 S CB -1.359 61.827 63.200 -0.023 0.000 0.893 271 S HN 1.344 nan 8.310 nan 0.000 0.475 272 G N 0.217 108.996 108.800 -0.034 0.000 2.189 272 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.267 272 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.267 272 G C -0.240 174.630 174.900 -0.050 0.000 0.975 272 G CA 0.951 46.029 45.100 -0.037 0.000 0.644 272 G HN 1.037 nan 8.290 nan 0.000 0.537 273 E N -0.440 119.725 120.200 -0.058 0.000 2.222 273 E HA 0.733 5.083 4.350 -0.000 0.000 0.267 273 E C -0.721 175.816 176.600 -0.106 0.000 0.963 273 E CA -1.412 54.945 56.400 -0.071 0.000 0.837 273 E CB 2.117 31.787 29.700 -0.050 0.000 1.183 273 E HN 0.220 nan 8.360 nan 0.000 0.403 274 L N 3.419 124.558 121.223 -0.139 0.000 2.255 274 L HA 0.125 4.465 4.340 -0.000 0.000 0.289 274 L C 0.009 176.753 176.870 -0.210 0.000 1.046 274 L CA -0.416 54.293 54.840 -0.219 0.000 0.816 274 L CB 0.776 42.643 42.059 -0.320 0.000 1.197 274 L HN 0.747 nan 8.230 nan 0.000 0.427 275 L N 4.357 125.455 121.223 -0.209 0.000 2.130 275 L HA 0.237 4.577 4.340 -0.000 0.000 0.200 275 L C 1.029 177.757 176.870 -0.236 0.000 1.075 275 L CA 1.027 55.772 54.840 -0.158 0.000 0.768 275 L CB -0.829 41.166 42.059 -0.106 0.000 0.933 275 L HN 0.798 nan 8.230 nan 0.000 0.451 276 R N -1.373 118.927 120.500 -0.332 0.000 2.733 276 R HA 0.542 4.881 4.340 -0.000 0.000 0.272 276 R C -1.597 174.506 176.300 -0.329 0.000 1.029 276 R CA -0.742 55.157 56.100 -0.336 0.000 0.888 276 R CB 1.529 31.785 30.300 -0.072 0.000 1.251 276 R HN -0.207 nan 8.270 nan 0.000 0.464 277 I N 1.163 121.625 120.570 -0.181 0.000 2.569 277 I HA 0.583 4.753 4.170 -0.000 0.000 0.296 277 I C -0.090 175.997 176.117 -0.049 0.000 1.028 277 I CA -0.842 60.398 61.300 -0.101 0.000 1.082 277 I CB 1.874 39.866 38.000 -0.013 0.000 1.264 277 I HN 0.672 nan 8.210 nan 0.000 0.429 278 R N 2.392 122.869 120.500 -0.038 0.000 2.867 278 R HA 0.828 5.168 4.340 -0.000 0.000 0.268 278 R C -0.868 175.414 176.300 -0.029 0.000 1.014 278 R CA -1.015 55.062 56.100 -0.038 0.000 0.946 278 R CB 2.376 32.656 30.300 -0.033 0.000 1.208 278 R HN 0.701 nan 8.270 nan 0.000 0.477 279 A N 1.461 124.255 122.820 -0.044 0.000 2.309 279 A HA 0.414 4.734 4.320 -0.000 0.000 0.298 279 A C -0.316 177.231 177.584 -0.061 0.000 1.165 279 A CA -0.367 51.641 52.037 -0.049 0.000 0.821 279 A CB 0.531 19.490 19.000 -0.068 0.000 1.102 279 A HN 0.657 nan 8.150 nan 0.000 0.500 280 R N 2.161 122.632 120.500 -0.049 0.000 2.295 280 R HA 0.259 4.598 4.340 -0.000 0.000 0.324 280 R C -0.226 176.028 176.300 -0.077 0.000 0.968 280 R CA -0.374 55.697 56.100 -0.048 0.000 0.837 280 R CB 0.740 31.030 30.300 -0.017 0.000 1.133 280 R HN 0.884 nan 8.270 nan 0.000 0.450 281 E N 3.541 123.686 120.200 -0.092 0.000 2.415 281 E HA 0.018 4.368 4.350 -0.000 0.000 0.260 281 E C -1.259 175.296 176.600 -0.074 0.000 1.016 281 E CA 0.134 56.465 56.400 -0.115 0.000 0.924 281 E CB 0.950 30.590 29.700 -0.100 0.000 0.961 281 E HN 0.370 nan 8.360 nan 0.000 0.459 282 V N 7.193 127.057 119.914 -0.083 0.000 2.670 282 V HA 0.205 4.325 4.120 -0.000 0.000 0.258 282 V C -2.291 173.777 176.094 -0.043 0.000 0.906 282 V CA -1.643 60.629 62.300 -0.048 0.000 0.887 282 V CB 1.356 33.157 31.823 -0.037 0.000 1.059 282 V HN 0.634 nan 8.190 nan 0.000 0.484 283 P HA -0.259 nan 4.420 nan 0.000 0.220 283 P C 1.494 178.802 177.300 0.013 0.000 1.155 283 P CA 2.315 65.419 63.100 0.007 0.000 0.880 283 P CB 0.272 31.985 31.700 0.022 0.000 0.790 284 E N -0.621 119.581 120.200 0.004 0.000 2.012 284 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 284 E C 2.034 178.638 176.600 0.007 0.000 1.007 284 E CA 1.281 57.685 56.400 0.006 0.000 0.816 284 E CB -1.470 28.230 29.700 0.000 0.000 0.762 284 E HN 0.218 nan 8.360 nan 0.000 0.451 285 V N 1.590 121.503 119.914 -0.002 0.000 3.324 285 V HA 0.040 4.159 4.120 -0.000 0.000 0.192 285 V C 0.642 176.739 176.094 0.004 0.000 1.223 285 V CA 0.398 62.699 62.300 0.001 0.000 1.400 285 V CB -0.107 31.713 31.823 -0.006 0.000 1.277 285 V HN 0.387 nan 8.190 nan 0.000 0.486 286 N N 0.362 119.060 118.700 -0.003 0.000 2.412 286 N HA -0.082 4.658 4.740 -0.000 0.000 0.254 286 N C 0.666 176.143 175.510 -0.055 0.000 1.232 286 N CA 0.639 53.688 53.050 -0.000 0.000 0.880 286 N CB 1.052 39.535 38.487 -0.005 0.000 1.076 286 N HN 0.608 nan 8.380 nan 0.000 0.458 287 E N 3.064 123.209 120.200 -0.092 0.000 2.021 287 E HA -0.002 4.348 4.350 -0.000 0.000 0.189 287 E C 1.278 177.591 176.600 -0.479 0.000 0.980 287 E CA 1.104 57.343 56.400 -0.268 0.000 0.803 287 E CB 0.159 29.658 29.700 -0.334 0.000 0.766 287 E HN 0.757 nan 8.360 nan 0.000 0.449 288 I N -1.605 118.537 120.570 -0.713 0.000 3.714 288 I HA 0.082 4.251 4.170 -0.000 0.000 0.387 288 I C -1.328 174.356 176.117 -0.722 0.000 1.007 288 I CA -0.119 60.741 61.300 -0.733 0.000 1.089 288 I CB -0.568 36.881 38.000 -0.920 0.000 2.964 288 I HN 0.058 nan 8.210 nan 0.000 0.869 289 W N 2.111 123.362 121.300 -0.082 0.000 2.367 289 W HA 0.697 5.357 4.660 -0.000 0.000 0.369 289 W C -0.047 176.467 176.519 -0.008 0.000 1.276 289 W CA -0.903 56.425 57.345 -0.028 0.000 1.415 289 W CB 1.085 30.556 29.460 0.018 0.000 1.306 289 W HN -0.211 nan 8.180 nan 0.000 0.669 290 I N 1.971 122.726 120.570 0.308 0.000 2.710 290 I HA 0.061 4.231 4.170 -0.000 0.000 0.290 290 I C 0.015 176.178 176.117 0.076 0.000 1.318 290 I CA -1.294 60.080 61.300 0.123 0.000 1.045 290 I CB 0.523 38.524 38.000 0.002 0.000 1.307 290 I HN 0.680 nan 8.210 nan 0.000 0.424 291 C N 3.726 123.020 119.300 -0.011 0.000 2.700 291 C HA 0.300 4.760 4.460 -0.000 0.000 0.397 291 C C 1.624 176.393 174.990 -0.368 0.000 1.301 291 C CA -0.169 58.683 59.018 -0.278 0.000 2.219 291 C CB 0.588 28.087 27.740 -0.402 0.000 2.699 291 C HN 0.810 nan 8.230 nan 0.000 0.669 292 D N 1.526 121.653 120.400 -0.456 0.000 2.117 292 D HA -0.069 4.571 4.640 -0.000 0.000 0.198 292 D C 2.350 178.328 176.300 -0.537 0.000 0.982 292 D CA 2.036 55.801 54.000 -0.392 0.000 0.828 292 D CB -0.648 40.111 40.800 -0.068 0.000 0.967 292 D HN 0.847 nan 8.370 nan 0.000 0.464 293 A N 1.053 123.264 122.820 -1.015 0.000 1.917 293 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 293 A C 2.396 179.727 177.584 -0.422 0.000 1.182 293 A CA 2.298 53.458 52.037 -1.462 0.000 0.633 293 A CB -1.100 17.084 19.000 -1.361 0.000 0.819 293 A HN 0.331 nan 8.150 nan 0.000 0.448 294 G N -1.109 107.533 108.800 -0.263 0.000 2.430 294 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 294 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 294 G C 1.703 176.638 174.900 0.058 0.000 1.146 294 G CA 0.888 45.992 45.100 0.007 0.000 0.793 294 G HN 0.590 nan 8.290 nan 0.000 0.537 295 R N -0.657 119.735 120.500 -0.180 0.000 2.062 295 R HA 0.086 4.425 4.340 -0.000 0.000 0.226 295 R C 1.502 177.684 176.300 -0.198 0.000 1.125 295 R CA 1.033 56.941 56.100 -0.320 0.000 0.966 295 R CB -0.231 29.595 30.300 -0.789 0.000 0.861 295 R HN 0.334 nan 8.270 nan 0.000 0.433 296 F N -0.256 119.810 119.950 0.193 0.000 2.695 296 F HA 0.368 4.895 4.527 -0.000 0.000 0.303 296 F C 1.169 177.143 175.800 0.291 0.000 1.091 296 F CA -0.078 58.087 58.000 0.275 0.000 1.300 296 F CB 0.526 39.713 39.000 0.312 0.000 1.071 296 F HN 0.042 nan 8.300 nan 0.000 0.578 297 G N 0.812 109.924 108.800 0.520 0.000 3.209 297 G HA2 0.177 4.137 3.960 -0.000 0.000 0.274 297 G HA3 0.177 4.137 3.960 -0.000 0.000 0.274 297 G C 0.488 175.760 174.900 0.620 0.000 0.850 297 G CA -0.045 45.414 45.100 0.598 0.000 1.907 297 G HN 0.651 nan 8.290 nan 0.000 0.591 298 H N -1.408 117.937 119.070 0.458 0.000 3.480 298 H HA 0.205 4.761 4.556 -0.000 0.000 0.257 298 H C 0.522 175.839 175.328 -0.018 0.000 1.196 298 H CA -0.242 55.849 56.048 0.073 0.000 1.100 298 H CB 0.402 30.073 29.762 -0.150 0.000 1.683 298 H HN 0.298 nan 8.280 nan 0.000 0.702 299 E N 1.781 122.010 120.200 0.048 0.000 2.160 299 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 299 E C 1.817 178.532 176.600 0.191 0.000 0.991 299 E CA 1.521 57.983 56.400 0.102 0.000 0.810 299 E CB -0.169 29.569 29.700 0.064 0.000 0.742 299 E HN 0.732 nan 8.360 nan 0.000 0.466 300 W N 0.647 122.008 121.300 0.102 0.000 2.408 300 W HA 0.157 4.817 4.660 0.000 0.000 0.311 300 W C 2.060 178.726 176.519 0.245 0.000 1.190 300 W CA 0.863 58.309 57.345 0.168 0.000 1.321 300 W CB -1.415 28.142 29.460 0.161 0.000 1.143 300 W HN -0.024 nan 8.180 nan 0.000 0.501 301 A N 1.494 123.895 122.820 -0.699 0.000 1.908 301 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 301 A C 1.908 179.383 177.584 -0.181 0.000 1.181 301 A CA 2.455 54.203 52.037 -0.481 0.000 0.627 301 A CB -1.236 17.275 19.000 -0.814 0.000 0.818 301 A HN 0.251 nan 8.150 nan 0.000 0.445 302 D N -0.714 119.579 120.400 -0.178 0.000 2.160 302 D HA -0.135 4.505 4.640 -0.000 0.000 0.189 302 D C 1.405 177.691 176.300 -0.024 0.000 1.003 302 D CA 1.222 55.174 54.000 -0.080 0.000 0.846 302 D CB -0.044 40.751 40.800 -0.009 0.000 0.949 302 D HN 0.414 nan 8.370 nan 0.000 0.446 303 Q N 0.074 119.891 119.800 0.029 0.000 2.270 303 Q HA 0.144 4.484 4.340 -0.000 0.000 0.167 303 Q C 0.022 176.044 176.000 0.036 0.000 1.023 303 Q CA -0.601 55.229 55.803 0.045 0.000 1.070 303 Q CB -0.402 28.380 28.738 0.072 0.000 1.504 303 Q HN 0.154 nan 8.270 nan 0.000 0.536 304 N N 1.997 120.716 118.700 0.032 0.000 1.529 304 N HA -0.214 4.525 4.740 -0.000 0.000 0.348 304 N C -0.159 175.263 175.510 -0.147 0.000 1.255 304 N CA 1.022 54.066 53.050 -0.009 0.000 0.817 304 N CB -0.008 38.503 38.487 0.040 0.000 1.063 304 N HN 0.315 nan 8.380 nan 0.000 0.513 305 R N 1.540 121.930 120.500 -0.183 0.000 2.799 305 R HA 0.441 4.780 4.340 -0.000 0.000 0.270 305 R C -1.104 175.112 176.300 -0.139 0.000 1.010 305 R CA -0.885 55.006 56.100 -0.348 0.000 0.916 305 R CB 1.141 31.280 30.300 -0.270 0.000 1.228 305 R HN 0.296 nan 8.270 nan 0.000 0.469 306 L N 2.324 123.495 121.223 -0.087 0.000 2.326 306 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 306 L C -0.350 176.557 176.870 0.062 0.000 1.092 306 L CA 0.528 55.383 54.840 0.024 0.000 0.810 306 L CB 1.123 43.230 42.059 0.080 0.000 1.153 306 L HN 0.718 nan 8.230 nan 0.000 0.439 307 K N 1.172 121.615 120.400 0.073 0.000 2.464 307 K HA 0.247 4.567 4.320 -0.000 0.000 0.206 307 K C -0.197 176.487 176.600 0.141 0.000 1.186 307 K CA 0.439 56.787 56.287 0.101 0.000 0.990 307 K CB 0.483 33.024 32.500 0.069 0.000 1.003 307 K HN 0.689 nan 8.250 nan 0.000 0.562 308 T N -0.010 114.610 114.554 0.109 0.000 2.861 308 T HA 0.442 4.792 4.350 -0.000 0.000 0.287 308 T C -3.005 171.715 174.700 0.033 0.000 1.003 308 T CA -2.605 59.553 62.100 0.097 0.000 0.977 308 T CB 2.076 70.983 68.868 0.064 0.000 0.996 308 T HN -0.223 nan 8.240 nan 0.000 0.448 309 P HA 0.203 nan 4.420 nan 0.000 0.267 309 P C -0.548 176.694 177.300 -0.098 0.000 1.209 309 P CA -0.330 62.659 63.100 -0.185 0.000 0.763 309 P CB 0.672 32.033 31.700 -0.565 0.000 0.816 310 L N 3.570 124.768 121.223 -0.042 0.000 2.343 310 L HA 0.615 4.955 4.340 -0.000 0.000 0.275 310 L C 0.496 177.361 176.870 -0.008 0.000 1.056 310 L CA -0.930 53.904 54.840 -0.011 0.000 0.804 310 L CB 1.891 43.962 42.059 0.021 0.000 1.203 310 L HN 0.186 nan 8.230 nan 0.000 0.440 311 V N 3.341 123.256 119.914 0.001 0.000 2.841 311 V HA 0.411 4.531 4.120 -0.000 0.000 0.310 311 V C -0.485 175.619 176.094 0.016 0.000 1.090 311 V CA -0.777 61.533 62.300 0.017 0.000 0.930 311 V CB 2.316 34.142 31.823 0.006 0.000 1.014 311 V HN 0.830 nan 8.190 nan 0.000 0.425 312 R N 4.964 125.477 120.500 0.023 0.000 2.309 312 R HA 0.412 4.752 4.340 -0.000 0.000 0.331 312 R C -0.474 175.807 176.300 -0.031 0.000 1.116 312 R CA -0.057 56.038 56.100 -0.009 0.000 0.970 312 R CB 0.159 30.440 30.300 -0.032 0.000 1.024 312 R HN 0.700 nan 8.270 nan 0.000 0.472 313 K N 3.489 123.874 120.400 -0.025 0.000 2.541 313 K HA 0.109 4.429 4.320 -0.000 0.000 0.250 313 K C -0.912 175.672 176.600 -0.027 0.000 0.950 313 K CA -0.451 55.819 56.287 -0.029 0.000 0.805 313 K CB 1.038 33.526 32.500 -0.020 0.000 1.166 313 K HN 0.590 nan 8.250 nan 0.000 0.430 314 E N 2.208 122.389 120.200 -0.032 0.000 2.919 314 E HA -0.151 4.199 4.350 -0.000 0.000 0.299 314 E C 0.282 176.864 176.600 -0.029 0.000 0.951 314 E CA 0.955 57.339 56.400 -0.027 0.000 0.952 314 E CB -1.599 28.090 29.700 -0.019 0.000 1.465 314 E HN 1.202 nan 8.360 nan 0.000 0.407 315 G N 0.494 109.270 108.800 -0.040 0.000 2.166 315 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.260 315 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.260 315 G C 0.288 175.167 174.900 -0.035 0.000 0.986 315 G CA 1.509 46.583 45.100 -0.043 0.000 0.683 315 G HN 0.593 nan 8.290 nan 0.000 0.527 316 R N -1.702 118.782 120.500 -0.026 0.000 2.831 316 R HA 0.837 5.177 4.340 -0.000 0.000 0.266 316 R C -0.598 175.698 176.300 -0.006 0.000 1.051 316 R CA -1.332 54.759 56.100 -0.015 0.000 0.943 316 R CB 0.954 31.248 30.300 -0.010 0.000 1.228 316 R HN 0.017 nan 8.270 nan 0.000 0.467 317 L N 1.787 123.013 121.223 0.005 0.000 2.292 317 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 317 L C -0.614 176.262 176.870 0.011 0.000 1.065 317 L CA -0.596 54.252 54.840 0.014 0.000 0.806 317 L CB 1.486 43.562 42.059 0.028 0.000 1.175 317 L HN 0.498 nan 8.230 nan 0.000 0.431 318 V N 2.761 122.680 119.914 0.008 0.000 2.888 318 V HA 0.255 4.375 4.120 -0.000 0.000 0.309 318 V C -0.128 175.968 176.094 0.003 0.000 1.114 318 V CA -1.124 61.180 62.300 0.006 0.000 0.940 318 V CB 2.395 34.219 31.823 0.002 0.000 1.021 318 V HN 0.793 nan 8.190 nan 0.000 0.426 319 E N 3.320 123.524 120.200 0.006 0.000 2.458 319 E HA 0.476 4.826 4.350 -0.000 0.000 0.264 319 E C 0.008 176.606 176.600 -0.004 0.000 1.097 319 E CA 0.200 56.602 56.400 0.003 0.000 0.973 319 E CB 1.069 30.778 29.700 0.015 0.000 0.963 319 E HN 0.920 nan 8.360 nan 0.000 0.451 320 A N 1.333 124.142 122.820 -0.018 0.000 3.136 320 A HA 0.685 5.005 4.320 -0.000 0.000 0.299 320 A C -0.796 176.780 177.584 -0.013 0.000 1.197 320 A CA -0.471 51.555 52.037 -0.019 0.000 0.640 320 A CB 1.249 20.224 19.000 -0.041 0.000 1.440 320 A HN 0.583 nan 8.150 nan 0.000 0.614 321 T N -1.193 113.358 114.554 -0.005 0.000 2.916 321 T HA 0.396 4.746 4.350 -0.000 0.000 0.292 321 T C 0.189 174.904 174.700 0.025 0.000 1.055 321 T CA -0.301 61.833 62.100 0.058 0.000 1.009 321 T CB 1.036 69.967 68.868 0.105 0.000 1.118 321 T HN 0.579 nan 8.240 nan 0.000 0.497 322 W N 0.960 122.296 121.300 0.060 0.000 2.350 322 W HA -0.090 4.570 4.660 -0.000 0.000 0.289 322 W C 2.220 178.798 176.519 0.100 0.000 1.215 322 W CA 0.880 58.263 57.345 0.063 0.000 1.236 322 W CB -0.130 29.344 29.460 0.023 0.000 1.130 322 W HN 0.714 nan 8.180 nan 0.000 0.541 323 E N 0.393 120.756 120.200 0.271 0.000 2.017 323 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 323 E C 1.829 178.555 176.600 0.210 0.000 0.997 323 E CA 1.603 58.145 56.400 0.238 0.000 0.804 323 E CB -0.820 28.981 29.700 0.168 0.000 0.757 323 E HN 0.449 nan 8.360 nan 0.000 0.448 324 E N 0.943 121.216 120.200 0.121 0.000 2.007 324 E HA -0.237 4.113 4.350 -0.000 0.000 0.203 324 E C 2.123 178.760 176.600 0.061 0.000 1.020 324 E CA 1.236 57.676 56.400 0.067 0.000 0.845 324 E CB -0.323 29.395 29.700 0.030 0.000 0.779 324 E HN 0.227 nan 8.360 nan 0.000 0.466 325 A N 1.359 124.186 122.820 0.012 0.000 1.944 325 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 325 A C 2.048 179.692 177.584 0.100 0.000 1.237 325 A CA 2.150 54.177 52.037 -0.016 0.000 0.668 325 A CB -1.101 17.778 19.000 -0.201 0.000 0.830 325 A HN 0.389 nan 8.150 nan 0.000 0.471 326 F N 0.449 120.395 119.950 -0.007 0.000 2.069 326 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 326 F C 2.037 177.851 175.800 0.023 0.000 1.113 326 F CA 1.819 59.842 58.000 0.038 0.000 1.214 326 F CB -0.725 38.323 39.000 0.080 0.000 0.978 326 F HN 0.185 nan 8.300 nan 0.000 0.474 327 L N 0.073 121.227 121.223 -0.116 0.000 1.989 327 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 327 L C 2.724 179.480 176.870 -0.190 0.000 1.071 327 L CA 1.503 56.193 54.840 -0.249 0.000 0.749 327 L CB -1.424 40.574 42.059 -0.101 0.000 0.890 327 L HN 0.220 nan 8.230 nan 0.000 0.431 328 A N -0.671 122.097 122.820 -0.087 0.000 2.186 328 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 328 A C 2.140 179.679 177.584 -0.075 0.000 1.159 328 A CA 1.392 53.386 52.037 -0.072 0.000 0.680 328 A CB -0.461 18.528 19.000 -0.019 0.000 0.787 328 A HN 0.356 nan 8.150 nan 0.000 0.467 329 L N -0.654 120.540 121.223 -0.049 0.000 2.130 329 L HA 0.071 4.411 4.340 -0.000 0.000 0.200 329 L C 2.268 179.060 176.870 -0.130 0.000 1.075 329 L CA 2.119 56.985 54.840 0.042 0.000 0.768 329 L CB -0.404 41.758 42.059 0.171 0.000 0.933 329 L HN 0.354 nan 8.230 nan 0.000 0.451 330 K N -0.195 120.051 120.400 -0.256 0.000 2.057 330 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 330 K C 1.890 178.332 176.600 -0.264 0.000 1.049 330 K CA 1.779 57.895 56.287 -0.286 0.000 0.931 330 K CB -0.112 32.127 32.500 -0.436 0.000 0.714 330 K HN 0.431 nan 8.250 nan 0.000 0.440 331 E N -0.896 119.148 120.200 -0.260 0.000 2.515 331 E HA -0.078 4.272 4.350 -0.000 0.000 0.201 331 E C 1.086 177.511 176.600 -0.291 0.000 1.071 331 E CA 0.532 56.794 56.400 -0.230 0.000 0.880 331 E CB 0.093 29.685 29.700 -0.180 0.000 0.828 331 E HN 0.494 nan 8.360 nan 0.000 0.540 332 G N -0.398 108.134 108.800 -0.447 0.000 2.944 332 G HA2 0.077 4.037 3.960 -0.000 0.000 0.220 332 G HA3 0.077 4.037 3.960 -0.000 0.000 0.220 332 G C 1.108 175.616 174.900 -0.654 0.000 1.100 332 G CA -0.230 44.444 45.100 -0.711 0.000 0.780 332 G HN 0.172 nan 8.290 nan 0.000 0.539 333 L N -0.198 120.747 121.223 -0.462 0.000 2.664 333 L HA 0.338 4.678 4.340 -0.000 0.000 0.233 333 L C 1.168 177.854 176.870 -0.307 0.000 1.113 333 L CA 0.054 54.651 54.840 -0.404 0.000 0.896 333 L CB 0.540 42.468 42.059 -0.220 0.000 1.163 333 L HN -0.001 nan 8.230 nan 0.000 0.497 334 K N 1.741 121.994 120.400 -0.245 0.000 2.180 334 K HA 0.089 4.409 4.320 -0.000 0.000 0.250 334 K C 0.357 176.870 176.600 -0.145 0.000 1.135 334 K CA 0.278 56.463 56.287 -0.169 0.000 1.037 334 K CB 0.347 32.760 32.500 -0.145 0.000 1.624 334 K HN 0.189 nan 8.250 nan 0.000 0.382 335 E N 1.734 121.852 120.200 -0.137 0.000 1.669 335 E HA 0.074 4.424 4.350 -0.000 0.000 0.205 335 E C -1.408 175.167 176.600 -0.042 0.000 0.997 335 E CA 0.102 56.459 56.400 -0.071 0.000 1.175 335 E CB 0.396 30.068 29.700 -0.046 0.000 4.216 335 E HN 0.383 nan 8.360 nan 0.000 0.831 336 A N 1.515 124.261 122.820 -0.125 0.000 2.497 336 A HA 0.666 4.986 4.320 -0.000 0.000 0.280 336 A C -1.146 176.342 177.584 -0.160 0.000 1.065 336 A CA -0.586 51.410 52.037 -0.069 0.000 0.781 336 A CB 1.206 20.277 19.000 0.119 0.000 1.289 336 A HN 0.097 nan 8.150 nan 0.000 0.415 337 R N 1.741 122.198 120.500 -0.072 0.000 2.387 337 R HA 0.617 4.957 4.340 -0.000 0.000 0.314 337 R C 0.753 177.040 176.300 -0.021 0.000 0.958 337 R CA 0.614 56.675 56.100 -0.066 0.000 0.846 337 R CB 0.999 31.267 30.300 -0.054 0.000 1.147 337 R HN 2.145 nan 8.270 nan 0.000 0.447 338 G N 2.911 111.702 108.800 -0.014 0.000 2.305 338 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.287 338 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.287 338 G C -0.489 174.426 174.900 0.025 0.000 1.036 338 G CA 0.541 45.644 45.100 0.005 0.000 0.887 338 G HN 0.670 nan 8.290 nan 0.000 0.505 339 E N 0.524 120.763 120.200 0.066 0.000 2.373 339 E HA 0.295 4.645 4.350 -0.000 0.000 0.233 339 E C 0.403 177.080 176.600 0.129 0.000 1.035 339 E CA -0.375 56.086 56.400 0.101 0.000 0.930 339 E CB 0.177 29.966 29.700 0.149 0.000 1.278 339 E HN 0.565 nan 8.360 nan 0.000 0.452 340 E N 0.739 120.966 120.200 0.045 0.000 2.414 340 E HA -0.175 4.175 4.350 -0.000 0.000 0.173 340 E C -1.026 175.636 176.600 0.104 0.000 1.551 340 E CA -0.175 56.223 56.400 -0.003 0.000 0.661 340 E CB -0.407 29.338 29.700 0.074 0.000 1.108 340 E HN 0.138 nan 8.360 nan 0.000 0.365 341 V N 1.397 121.349 119.914 0.064 0.000 2.546 341 V HA 0.550 4.670 4.120 -0.000 0.000 0.284 341 V C 1.221 177.412 176.094 0.163 0.000 1.050 341 V CA 0.272 62.663 62.300 0.152 0.000 0.981 341 V CB 1.768 33.653 31.823 0.103 0.000 0.990 341 V HN 0.464 nan 8.190 nan 0.000 0.474 342 G N 4.294 113.233 108.800 0.231 0.000 2.348 342 G HA2 0.664 4.624 3.960 -0.000 0.000 0.312 342 G HA3 0.664 4.624 3.960 -0.000 0.000 0.312 342 G C -0.998 173.909 174.900 0.013 0.000 1.126 342 G CA -0.562 44.651 45.100 0.188 0.000 0.865 342 G HN 0.590 nan 8.290 nan 0.000 0.474 343 L N 1.818 122.904 121.223 -0.228 0.000 2.356 343 L HA 0.453 4.793 4.340 -0.000 0.000 0.277 343 L C -1.401 175.322 176.870 -0.245 0.000 0.996 343 L CA -0.861 53.956 54.840 -0.037 0.000 0.822 343 L CB 1.938 44.032 42.059 0.058 0.000 1.256 343 L HN 0.527 nan 8.230 nan 0.000 0.413 344 Y N 3.596 124.097 120.300 0.335 0.000 2.317 344 Y HA 0.452 5.001 4.550 -0.000 0.000 0.325 344 Y C -0.217 175.981 175.900 0.497 0.000 1.066 344 Y CA -0.628 57.747 58.100 0.458 0.000 1.203 344 Y CB 1.317 40.133 38.460 0.594 0.000 1.127 344 Y HN 0.348 nan 8.280 nan 0.000 0.451 345 L N 2.509 124.096 121.223 0.607 0.000 2.439 345 L HA 0.809 5.149 4.340 -0.000 0.000 0.259 345 L C 0.762 177.898 176.870 0.443 0.000 1.129 345 L CA -1.110 54.029 54.840 0.498 0.000 0.803 345 L CB 0.790 43.058 42.059 0.348 0.000 1.161 345 L HN 0.669 nan 8.230 nan 0.000 0.462 346 A N -0.009 123.000 122.820 0.315 0.000 2.313 346 A HA 0.140 4.460 4.320 -0.000 0.000 0.261 346 A C 1.190 178.727 177.584 -0.078 0.000 1.090 346 A CA -0.173 51.920 52.037 0.094 0.000 0.807 346 A CB 0.088 19.172 19.000 0.140 0.000 1.055 346 A HN 0.989 nan 8.150 nan 0.000 0.492 347 H N 0.561 119.475 119.070 -0.260 0.000 2.353 347 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 347 H C 0.402 175.625 175.328 -0.175 0.000 1.090 347 H CA 1.798 57.707 56.048 -0.232 0.000 1.327 347 H CB -0.522 29.088 29.762 -0.253 0.000 1.383 347 H HN 0.721 nan 8.280 nan 0.000 0.508 348 D N 1.119 120.875 120.400 -1.073 0.000 2.663 348 D HA 0.341 4.981 4.640 -0.000 0.000 0.243 348 D C 0.182 176.301 176.300 -0.302 0.000 1.218 348 D CA 0.044 53.592 54.000 -0.753 0.000 0.846 348 D CB -0.160 40.231 40.800 -0.682 0.000 1.014 348 D HN 0.562 nan 8.370 nan 0.000 0.476 349 A N 0.904 123.589 122.820 -0.225 0.000 2.401 349 A HA 0.462 4.782 4.320 -0.000 0.000 0.259 349 A C 1.108 178.629 177.584 -0.104 0.000 1.103 349 A CA -0.427 51.552 52.037 -0.097 0.000 0.789 349 A CB 0.096 19.068 19.000 -0.047 0.000 1.035 349 A HN 0.437 nan 8.150 nan 0.000 0.491 350 T N 0.463 114.993 114.554 -0.040 0.000 2.680 350 T HA 0.158 4.508 4.350 -0.000 0.000 0.314 350 T C 1.089 175.773 174.700 -0.026 0.000 1.045 350 T CA 0.189 62.276 62.100 -0.020 0.000 1.025 350 T CB 0.187 69.068 68.868 0.023 0.000 1.000 350 T HN 0.542 nan 8.240 nan 0.000 0.535 351 L N 0.521 121.748 121.223 0.006 0.000 2.156 351 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 351 L C 2.436 179.315 176.870 0.015 0.000 1.095 351 L CA 1.679 56.523 54.840 0.007 0.000 0.770 351 L CB -1.050 41.045 42.059 0.059 0.000 0.914 351 L HN 0.783 nan 8.230 nan 0.000 0.439 352 E N -0.255 119.968 120.200 0.039 0.000 2.016 352 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 352 E C 2.049 178.640 176.600 -0.015 0.000 0.985 352 E CA 1.335 57.777 56.400 0.070 0.000 0.802 352 E CB -0.364 29.413 29.700 0.127 0.000 0.762 352 E HN 0.426 nan 8.360 nan 0.000 0.448 353 E N 0.184 120.387 120.200 0.005 0.000 2.208 353 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 353 E C 1.968 178.541 176.600 -0.045 0.000 1.014 353 E CA 1.082 57.476 56.400 -0.010 0.000 0.819 353 E CB -0.307 29.419 29.700 0.042 0.000 0.735 353 E HN 0.384 nan 8.360 nan 0.000 0.469 354 G N 0.954 109.726 108.800 -0.047 0.000 2.425 354 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.213 354 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.213 354 G C 1.432 176.281 174.900 -0.085 0.000 1.201 354 G CA 0.424 45.500 45.100 -0.040 0.000 0.799 354 G HN 0.146 nan 8.290 nan 0.000 0.534 355 L N 0.634 121.790 121.223 -0.112 0.000 1.963 355 L HA -0.109 4.231 4.340 -0.000 0.000 0.220 355 L C 2.620 179.226 176.870 -0.440 0.000 1.076 355 L CA 2.208 56.948 54.840 -0.167 0.000 0.772 355 L CB -0.995 41.041 42.059 -0.039 0.000 0.892 355 L HN 0.237 nan 8.230 nan 0.000 0.435 356 L N 0.313 121.029 121.223 -0.845 0.000 1.965 356 L HA -0.265 4.074 4.340 -0.000 0.000 0.226 356 L C 2.543 179.137 176.870 -0.459 0.000 1.083 356 L CA 2.868 57.032 54.840 -1.127 0.000 0.790 356 L CB -1.567 40.001 42.059 -0.819 0.000 0.898 356 L HN 0.374 nan 8.230 nan 0.000 0.439 357 A N -1.299 121.374 122.820 -0.246 0.000 1.971 357 A HA -0.346 3.974 4.320 -0.000 0.000 0.222 357 A C 2.494 180.035 177.584 -0.071 0.000 1.182 357 A CA 2.728 54.707 52.037 -0.096 0.000 0.649 357 A CB -1.436 17.573 19.000 0.014 0.000 0.818 357 A HN 0.721 nan 8.150 nan 0.000 0.458 358 S N -0.916 114.734 115.700 -0.083 0.000 2.361 358 S HA -0.191 4.279 4.470 -0.000 0.000 0.214 358 S C 1.954 176.526 174.600 -0.047 0.000 1.034 358 S CA 1.474 59.652 58.200 -0.036 0.000 1.025 358 S CB -0.487 62.699 63.200 -0.023 0.000 0.996 358 S HN 0.569 nan 8.310 nan 0.000 0.422 359 E N 1.006 121.160 120.200 -0.076 0.000 2.136 359 E HA -0.218 4.132 4.350 -0.000 0.000 0.202 359 E C 2.066 178.657 176.600 -0.016 0.000 1.019 359 E CA 1.395 57.782 56.400 -0.021 0.000 0.819 359 E CB -0.825 28.892 29.700 0.028 0.000 0.739 359 E HN 0.562 nan 8.360 nan 0.000 0.458 360 L N 0.438 121.628 121.223 -0.054 0.000 2.131 360 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 360 L C 2.130 178.990 176.870 -0.016 0.000 1.092 360 L CA 2.096 56.919 54.840 -0.029 0.000 0.759 360 L CB -0.445 41.583 42.059 -0.051 0.000 0.903 360 L HN 0.034 nan 8.230 nan 0.000 0.435 361 A N -0.962 121.846 122.820 -0.020 0.000 2.119 361 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 361 A C 2.365 179.941 177.584 -0.013 0.000 1.152 361 A CA 1.293 53.320 52.037 -0.017 0.000 0.708 361 A CB -0.444 18.549 19.000 -0.012 0.000 0.805 361 A HN 0.520 nan 8.150 nan 0.000 0.460 362 K N -0.100 120.298 120.400 -0.002 0.000 2.005 362 K HA 0.054 4.374 4.320 -0.000 0.000 0.206 362 K C 2.223 178.826 176.600 0.006 0.000 1.044 362 K CA 1.000 57.291 56.287 0.006 0.000 0.942 362 K CB -0.331 32.179 32.500 0.017 0.000 0.727 362 K HN 0.281 nan 8.250 nan 0.000 0.439 363 A N 1.407 124.233 122.820 0.012 0.000 1.892 363 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 363 A C 1.185 178.772 177.584 0.005 0.000 1.188 363 A CA 1.038 53.083 52.037 0.014 0.000 0.631 363 A CB -0.590 18.424 19.000 0.022 0.000 0.822 363 A HN 0.382 nan 8.150 nan 0.000 0.447 364 L N 0.566 121.788 121.223 -0.002 0.000 2.462 364 L HA 0.227 4.566 4.340 -0.000 0.000 0.283 364 L C 1.029 177.886 176.870 -0.021 0.000 1.166 364 L CA 0.275 55.109 54.840 -0.009 0.000 0.964 364 L CB -0.433 41.620 42.059 -0.011 0.000 1.294 364 L HN 0.298 nan 8.230 nan 0.000 0.449 365 K N 1.217 121.607 120.400 -0.016 0.000 2.366 365 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 365 K C 0.148 176.723 176.600 -0.042 0.000 1.045 365 K CA 1.582 57.856 56.287 -0.021 0.000 0.934 365 K CB -0.107 32.387 32.500 -0.011 0.000 0.746 365 K HN 0.805 nan 8.250 nan 0.000 0.470 366 T N 1.001 115.519 114.554 -0.060 0.000 3.400 366 T HA 0.302 4.652 4.350 -0.000 0.000 0.364 366 T C -2.518 172.048 174.700 -0.222 0.000 1.636 366 T CA -1.582 60.453 62.100 -0.109 0.000 1.211 366 T CB 1.269 70.094 68.868 -0.071 0.000 1.180 366 T HN 0.058 nan 8.240 nan 0.000 0.730 367 P HA 0.693 nan 4.420 nan 0.000 0.318 367 P C -1.887 175.148 177.300 -0.441 0.000 1.209 367 P CA -0.852 62.028 63.100 -0.365 0.000 0.926 367 P CB 1.907 33.527 31.700 -0.133 0.000 1.368 368 H N -1.290 117.754 119.070 -0.044 0.000 5.715 368 H HA 0.319 4.875 4.556 -0.000 0.000 0.835 368 H C -0.838 174.385 175.328 -0.175 0.000 1.989 368 H CA -0.890 55.126 56.048 -0.053 0.000 1.514 368 H CB -1.727 28.030 29.762 -0.009 0.000 4.190 368 H HN 0.415 nan 8.280 nan 0.000 0.607 369 L N -0.788 120.444 121.223 0.015 0.000 2.397 369 L HA 1.025 5.365 4.340 -0.000 0.000 0.266 369 L C -0.723 176.136 176.870 -0.018 0.000 1.040 369 L CA -0.822 53.951 54.840 -0.112 0.000 0.800 369 L CB 1.974 44.038 42.059 0.008 0.000 1.324 369 L HN 0.428 nan 8.230 nan 0.000 0.469 370 D N -1.752 118.711 120.400 0.105 0.000 2.742 370 D HA 0.500 5.140 4.640 -0.000 0.000 0.262 370 D C -1.440 175.119 176.300 0.431 0.000 1.240 370 D CA -0.310 53.816 54.000 0.211 0.000 0.752 370 D CB 1.555 42.620 40.800 0.441 0.000 1.290 370 D HN 0.314 nan 8.370 nan 0.000 0.420 371 F N 0.780 120.856 119.950 0.210 0.000 2.408 371 F HA 0.365 4.892 4.527 -0.000 0.000 0.325 371 F C 2.014 177.586 175.800 -0.380 0.000 1.082 371 F CA -0.740 57.255 58.000 -0.008 0.000 1.032 371 F CB 0.254 39.212 39.000 -0.070 0.000 1.259 371 F HN 0.385 nan 8.300 nan 0.000 0.503 372 Q N 0.192 119.679 119.800 -0.522 0.000 2.508 372 Q HA 0.039 4.379 4.340 -0.000 0.000 0.214 372 Q C 0.710 175.604 176.000 -1.843 0.000 0.979 372 Q CA 1.346 56.192 55.803 -1.596 0.000 0.911 372 Q CB -0.212 27.591 28.738 -1.559 0.000 0.969 372 Q HN 0.993 nan 8.270 nan 0.000 0.504 373 G N 0.542 108.639 108.800 -1.172 0.000 5.070 373 G HA2 0.002 3.962 3.960 -0.000 0.000 0.249 373 G HA3 0.002 3.962 3.960 -0.000 0.000 0.249 373 G C -0.536 174.366 174.900 0.002 0.000 0.931 373 G CA -0.697 43.902 45.100 -0.834 0.000 0.753 373 G HN 0.113 nan 8.290 nan 0.000 0.320 374 R N 2.035 122.596 120.500 0.101 0.000 2.481 374 R HA 0.029 4.369 4.340 -0.000 0.000 0.291 374 R C 0.091 176.588 176.300 0.328 0.000 0.934 374 R CA 1.048 57.259 56.100 0.184 0.000 1.116 374 R CB -0.140 29.968 30.300 -0.320 0.000 0.895 374 R HN 0.229 nan 8.270 nan 0.000 0.410 375 T N 1.680 116.374 114.554 0.233 0.000 2.884 375 T HA 0.342 4.692 4.350 -0.000 0.000 0.298 375 T C 1.636 176.425 174.700 0.149 0.000 0.998 375 T CA -0.281 61.932 62.100 0.189 0.000 1.124 375 T CB 1.642 70.597 68.868 0.145 0.000 0.931 375 T HN 0.580 nan 8.240 nan 0.000 0.531 376 A N 2.783 125.679 122.820 0.126 0.000 1.927 376 A HA 0.214 4.534 4.320 -0.000 0.000 0.220 376 A C 1.661 179.299 177.584 0.090 0.000 1.185 376 A CA 1.324 53.423 52.037 0.104 0.000 0.639 376 A CB -1.057 17.997 19.000 0.090 0.000 0.820 376 A HN 1.416 nan 8.150 nan 0.000 0.451 377 A N 0.258 123.138 122.820 0.101 0.000 2.280 377 A HA 0.597 4.917 4.320 -0.000 0.000 0.320 377 A C -2.715 174.972 177.584 0.171 0.000 1.366 377 A CA -1.776 50.336 52.037 0.124 0.000 0.938 377 A CB 0.108 19.203 19.000 0.158 0.000 1.157 377 A HN 0.174 nan 8.150 nan 0.000 0.536 378 P HA 0.063 nan 4.420 nan 0.000 0.262 378 P C 0.948 178.393 177.300 0.242 0.000 1.182 378 P CA 0.607 63.809 63.100 0.169 0.000 0.761 378 P CB 0.969 32.737 31.700 0.112 0.000 0.795 379 A N 3.048 126.019 122.820 0.253 0.000 2.067 379 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 379 A C 1.907 179.665 177.584 0.292 0.000 1.158 379 A CA 1.462 53.671 52.037 0.287 0.000 0.661 379 A CB -1.158 17.949 19.000 0.179 0.000 0.801 379 A HN 0.497 nan 8.150 nan 0.000 0.452 380 S N 0.274 116.078 115.700 0.174 0.000 2.584 380 S HA 0.011 4.481 4.470 -0.000 0.000 0.240 380 S C 1.485 176.055 174.600 -0.049 0.000 0.975 380 S CA 0.305 58.525 58.200 0.034 0.000 0.949 380 S CB -0.245 62.894 63.200 -0.102 0.000 0.761 380 S HN 0.427 nan 8.310 nan 0.000 0.536 381 L N 0.331 121.555 121.223 0.002 0.000 2.007 381 L HA 0.144 4.484 4.340 -0.000 0.000 0.205 381 L C 0.330 177.044 176.870 -0.260 0.000 1.073 381 L CA 1.365 56.050 54.840 -0.258 0.000 0.744 381 L CB -1.093 40.604 42.059 -0.602 0.000 0.898 381 L HN 0.300 nan 8.230 nan 0.000 0.435 382 F N 1.718 121.659 119.950 -0.015 0.000 2.456 382 F HA 0.264 4.791 4.527 -0.000 0.000 0.358 382 F C -1.622 174.179 175.800 0.002 0.000 1.095 382 F CA -3.241 54.758 58.000 -0.002 0.000 1.216 382 F CB -0.924 38.080 39.000 0.007 0.000 1.125 382 F HN 0.045 nan 8.300 nan 0.000 0.549 383 P HA 0.097 nan 4.420 nan 0.000 0.267 383 P C -2.662 174.704 177.300 0.111 0.000 1.205 383 P CA -1.252 61.911 63.100 0.104 0.000 0.765 383 P CB 0.317 32.063 31.700 0.076 0.000 0.828 384 P HA 0.030 nan 4.420 nan 0.000 0.261 384 P C -0.312 177.020 177.300 0.052 0.000 1.183 384 P CA 0.822 63.964 63.100 0.070 0.000 0.761 384 P CB 0.106 31.847 31.700 0.068 0.000 0.785 385 A N 3.110 125.951 122.820 0.037 0.000 2.317 385 A HA 0.576 4.896 4.320 -0.000 0.000 0.327 385 A C 0.261 177.848 177.584 0.005 0.000 1.178 385 A CA -0.364 51.685 52.037 0.020 0.000 0.817 385 A CB 0.837 19.843 19.000 0.010 0.000 1.189 385 A HN 0.430 nan 8.150 nan 0.000 0.489 386 S N 1.036 116.737 115.700 0.003 0.000 2.646 386 S HA 0.423 4.893 4.470 -0.000 0.000 0.276 386 S C 0.849 175.440 174.600 -0.013 0.000 1.222 386 S CA -0.644 57.556 58.200 -0.001 0.000 1.014 386 S CB 0.425 63.629 63.200 0.006 0.000 0.991 386 S HN 0.520 nan 8.310 nan 0.000 0.533 387 L N 2.970 124.188 121.223 -0.008 0.000 2.093 387 L HA 0.102 4.442 4.340 -0.000 0.000 0.208 387 L C 2.463 179.333 176.870 0.000 0.000 1.085 387 L CA 1.694 56.529 54.840 -0.009 0.000 0.755 387 L CB -1.246 40.819 42.059 0.010 0.000 0.904 387 L HN 0.835 nan 8.230 nan 0.000 0.435 388 E N -0.015 120.191 120.200 0.009 0.000 2.038 388 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 388 E C 1.854 178.461 176.600 0.011 0.000 1.000 388 E CA 1.735 58.144 56.400 0.015 0.000 0.803 388 E CB -0.087 29.621 29.700 0.013 0.000 0.750 388 E HN 0.427 nan 8.360 nan 0.000 0.448 389 D N 0.066 120.467 120.400 0.001 0.000 2.106 389 D HA -0.199 4.441 4.640 -0.000 0.000 0.191 389 D C 2.092 178.378 176.300 -0.024 0.000 0.997 389 D CA 1.292 55.290 54.000 -0.003 0.000 0.834 389 D CB -0.587 40.210 40.800 -0.005 0.000 0.956 389 D HN 0.192 nan 8.370 nan 0.000 0.448 390 L N 1.236 122.418 121.223 -0.068 0.000 2.034 390 L HA -0.226 4.114 4.340 -0.000 0.000 0.217 390 L C 2.264 179.041 176.870 -0.154 0.000 1.077 390 L CA 1.570 56.302 54.840 -0.181 0.000 0.769 390 L CB -0.783 41.151 42.059 -0.209 0.000 0.890 390 L HN 0.061 nan 8.230 nan 0.000 0.435 391 L N -1.149 120.078 121.223 0.007 0.000 2.083 391 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 391 L C 2.414 179.411 176.870 0.213 0.000 1.083 391 L CA 1.401 56.342 54.840 0.169 0.000 0.752 391 L CB -0.444 41.688 42.059 0.122 0.000 0.899 391 L HN 0.469 nan 8.230 nan 0.000 0.433 392 Q N -0.361 119.506 119.800 0.112 0.000 2.403 392 Q HA 0.186 4.526 4.340 -0.000 0.000 0.203 392 Q C 0.834 176.905 176.000 0.119 0.000 0.932 392 Q CA -0.115 55.749 55.803 0.102 0.000 0.945 392 Q CB 0.297 29.067 28.738 0.052 0.000 1.045 392 Q HN 0.445 nan 8.270 nan 0.000 0.511 393 A N 1.096 123.998 122.820 0.136 0.000 2.346 393 A HA -0.011 4.309 4.320 -0.000 0.000 0.255 393 A C 0.435 178.178 177.584 0.266 0.000 1.113 393 A CA 0.087 52.200 52.037 0.126 0.000 0.798 393 A CB 0.290 19.287 19.000 -0.006 0.000 1.073 393 A HN 0.138 nan 8.150 nan 0.000 0.502 394 D N -1.942 118.586 120.400 0.213 0.000 2.449 394 D HA 0.290 4.930 4.640 -0.000 0.000 0.210 394 D C -0.841 175.681 176.300 0.370 0.000 1.094 394 D CA 0.830 54.958 54.000 0.214 0.000 0.846 394 D CB 0.634 41.488 40.800 0.090 0.000 1.003 394 D HN 0.317 nan 8.370 nan 0.000 0.504 395 F N 0.653 120.745 119.950 0.237 0.000 2.744 395 F HA 0.473 5.000 4.527 -0.000 0.000 0.311 395 F C -2.029 173.925 175.800 0.256 0.000 1.144 395 F CA -1.249 56.911 58.000 0.267 0.000 0.938 395 F CB 1.160 40.217 39.000 0.095 0.000 1.292 395 F HN -0.235 nan 8.300 nan 0.000 0.444 396 A N 4.488 126.780 122.820 -0.879 0.000 2.410 396 A HA 0.657 4.977 4.320 -0.000 0.000 0.289 396 A C -2.281 174.826 177.584 -0.795 0.000 1.200 396 A CA -0.527 51.140 52.037 -0.618 0.000 0.751 396 A CB 0.937 19.731 19.000 -0.345 0.000 1.161 396 A HN 0.895 nan 8.150 nan 0.000 0.459 397 L N 4.205 125.227 121.223 -0.335 0.000 2.260 397 L HA 0.682 5.022 4.340 -0.000 0.000 0.289 397 L C -0.819 176.033 176.870 -0.029 0.000 1.057 397 L CA 0.039 54.855 54.840 -0.040 0.000 0.811 397 L CB 1.099 43.349 42.059 0.318 0.000 1.184 397 L HN 0.388 nan 8.230 nan 0.000 0.429 398 V N 6.478 126.365 119.914 -0.045 0.000 2.628 398 V HA 0.462 4.582 4.120 -0.000 0.000 0.306 398 V C -0.233 175.881 176.094 0.033 0.000 1.045 398 V CA -0.451 61.825 62.300 -0.040 0.000 0.905 398 V CB 1.788 33.556 31.823 -0.091 0.000 0.997 398 V HN 0.614 nan 8.190 nan 0.000 0.436 399 L N 3.600 124.839 121.223 0.027 0.000 2.861 399 L HA 0.760 5.100 4.340 -0.000 0.000 0.290 399 L C 0.394 177.287 176.870 0.037 0.000 1.346 399 L CA 0.285 55.172 54.840 0.079 0.000 0.779 399 L CB 1.205 43.299 42.059 0.058 0.000 1.143 399 L HN 0.904 nan 8.230 nan 0.000 0.548 400 G N -0.666 108.130 108.800 -0.007 0.000 2.110 400 G HA2 0.073 4.033 3.960 -0.000 0.000 0.218 400 G HA3 0.073 4.033 3.960 -0.000 0.000 0.218 400 G C -0.954 173.913 174.900 -0.054 0.000 2.460 400 G CA -1.054 44.027 45.100 -0.030 0.000 0.838 400 G HN 0.052 nan 8.290 nan 0.000 0.534 401 D N 3.086 123.424 120.400 -0.102 0.000 5.758 401 D HA -0.052 4.588 4.640 -0.000 0.000 0.222 401 D C -0.495 175.812 176.300 0.011 0.000 1.450 401 D CA -0.449 53.523 54.000 -0.047 0.000 0.892 401 D CB 0.852 41.687 40.800 0.057 0.000 1.395 401 D HN 0.203 nan 8.370 nan 0.000 0.804 402 P HA -0.153 nan 4.420 nan 0.000 0.216 402 P C 1.307 178.660 177.300 0.088 0.000 1.150 402 P CA 1.245 64.354 63.100 0.015 0.000 0.843 402 P CB 0.109 31.798 31.700 -0.017 0.000 0.787 403 T N -0.672 113.961 114.554 0.132 0.000 2.869 403 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 403 T C 1.316 176.097 174.700 0.135 0.000 1.082 403 T CA 1.259 63.511 62.100 0.253 0.000 1.123 403 T CB -0.386 68.671 68.868 0.315 0.000 0.856 403 T HN 0.274 nan 8.240 nan 0.000 0.499 404 E N -0.025 120.231 120.200 0.092 0.000 2.330 404 E HA 0.085 4.435 4.350 -0.000 0.000 0.200 404 E C 2.174 178.777 176.600 0.006 0.000 0.922 404 E CA 0.161 56.584 56.400 0.037 0.000 0.935 404 E CB 0.129 29.871 29.700 0.070 0.000 0.917 404 E HN 0.484 nan 8.360 nan 0.000 0.491 405 E N 1.435 121.648 120.200 0.022 0.000 2.008 405 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 405 E C 0.683 177.279 176.600 -0.006 0.000 0.986 405 E CA 0.914 57.312 56.400 -0.004 0.000 0.807 405 E CB 0.163 29.860 29.700 -0.005 0.000 0.766 405 E HN 0.042 nan 8.360 nan 0.000 0.450 406 A N 1.225 124.056 122.820 0.019 0.000 3.216 406 A HA 0.391 4.711 4.320 -0.000 0.000 0.321 406 A C -2.121 175.516 177.584 0.089 0.000 1.042 406 A CA -1.234 50.820 52.037 0.028 0.000 0.838 406 A CB 0.713 19.721 19.000 0.013 0.000 1.136 406 A HN -0.113 nan 8.150 nan 0.000 0.483 407 P HA -0.289 nan 4.420 nan 0.000 0.227 407 P C 1.334 178.893 177.300 0.431 0.000 1.141 407 P CA 1.610 64.866 63.100 0.261 0.000 0.964 407 P CB 0.148 31.873 31.700 0.042 0.000 0.784 408 I N -1.801 118.946 120.570 0.294 0.000 2.700 408 I HA -0.174 3.996 4.170 -0.000 0.000 0.261 408 I C 2.115 178.313 176.117 0.134 0.000 1.219 408 I CA 1.100 62.536 61.300 0.227 0.000 1.463 408 I CB -0.919 37.184 38.000 0.173 0.000 1.092 408 I HN -0.043 nan 8.210 nan 0.000 0.452 409 L N -0.931 120.365 121.223 0.122 0.000 2.191 409 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 409 L C 2.438 179.367 176.870 0.098 0.000 1.103 409 L CA 1.493 56.377 54.840 0.073 0.000 0.769 409 L CB -0.852 41.226 42.059 0.031 0.000 0.908 409 L HN 0.427 nan 8.230 nan 0.000 0.438 410 H N 0.488 119.555 119.070 -0.006 0.000 2.290 410 H HA -0.180 4.376 4.556 -0.000 0.000 0.298 410 H C 2.370 177.624 175.328 -0.124 0.000 1.087 410 H CA 1.575 57.574 56.048 -0.082 0.000 1.291 410 H CB 0.150 29.855 29.762 -0.096 0.000 1.369 410 H HN 0.195 nan 8.280 nan 0.000 0.492 411 L N 0.040 121.219 121.223 -0.073 0.000 2.131 411 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 411 L C 2.696 179.599 176.870 0.055 0.000 1.092 411 L CA 0.716 55.462 54.840 -0.157 0.000 0.759 411 L CB -0.375 41.503 42.059 -0.302 0.000 0.903 411 L HN 0.312 nan 8.230 nan 0.000 0.435 412 R N 0.482 121.041 120.500 0.098 0.000 2.062 412 R HA 0.001 4.341 4.340 -0.000 0.000 0.229 412 R C 2.260 178.662 176.300 0.171 0.000 1.128 412 R CA 1.057 57.230 56.100 0.122 0.000 0.960 412 R CB -0.787 29.559 30.300 0.078 0.000 0.855 412 R HN 0.357 nan 8.270 nan 0.000 0.432 413 L N 0.728 122.063 121.223 0.187 0.000 2.191 413 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 413 L C 2.581 179.692 176.870 0.401 0.000 1.103 413 L CA 1.159 56.187 54.840 0.314 0.000 0.769 413 L CB -0.531 41.674 42.059 0.243 0.000 0.908 413 L HN 0.204 nan 8.230 nan 0.000 0.438 414 S N 0.334 116.272 115.700 0.398 0.000 2.359 414 S HA -0.262 4.208 4.470 -0.000 0.000 0.223 414 S C 1.846 176.469 174.600 0.038 0.000 1.039 414 S CA 1.899 60.275 58.200 0.292 0.000 1.042 414 S CB -0.130 63.195 63.200 0.208 0.000 0.915 414 S HN 0.508 nan 8.310 nan 0.000 0.439 415 E N -0.669 119.594 120.200 0.104 0.000 2.204 415 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 415 E C 1.746 178.410 176.600 0.107 0.000 0.989 415 E CA 0.920 57.369 56.400 0.081 0.000 0.824 415 E CB -0.242 29.538 29.700 0.133 0.000 0.756 415 E HN 0.664 nan 8.360 nan 0.000 0.477 416 F N 1.394 121.349 119.950 0.009 0.000 2.075 416 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 416 F C 2.006 177.790 175.800 -0.027 0.000 1.113 416 F CA 1.045 59.047 58.000 0.003 0.000 1.218 416 F CB -0.388 38.626 39.000 0.023 0.000 0.984 416 F HN -0.236 nan 8.300 nan 0.000 0.472 417 V N 1.042 120.851 119.914 -0.174 0.000 3.026 417 V HA -0.201 3.919 4.120 -0.000 0.000 0.265 417 V C 1.866 177.764 176.094 -0.326 0.000 1.121 417 V CA 1.622 63.722 62.300 -0.333 0.000 1.142 417 V CB -0.939 30.716 31.823 -0.281 0.000 0.730 417 V HN 0.299 nan 8.190 nan 0.000 0.503 418 R N -0.509 119.844 120.500 -0.244 0.000 2.427 418 R HA 0.149 4.489 4.340 -0.000 0.000 0.262 418 R C 0.214 176.425 176.300 -0.149 0.000 0.943 418 R CA -0.027 55.953 56.100 -0.199 0.000 1.081 418 R CB 0.049 30.252 30.300 -0.161 0.000 1.166 418 R HN 0.313 nan 8.270 nan 0.000 0.534 419 D N 1.049 121.342 120.400 -0.177 0.000 2.772 419 D HA -0.162 4.478 4.640 -0.000 0.000 0.233 419 D C -0.999 175.266 176.300 -0.059 0.000 1.143 419 D CA 0.902 54.825 54.000 -0.128 0.000 0.700 419 D CB -0.812 39.917 40.800 -0.119 0.000 1.076 419 D HN 0.239 nan 8.370 nan 0.000 0.430 420 L N -0.049 121.158 121.223 -0.027 0.000 2.292 420 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 420 L C 0.913 177.797 176.870 0.024 0.000 1.065 420 L CA -0.356 54.483 54.840 -0.001 0.000 0.806 420 L CB 1.267 43.335 42.059 0.016 0.000 1.175 420 L HN -0.173 nan 8.230 nan 0.000 0.431 421 K N 3.473 123.872 120.400 -0.002 0.000 2.203 421 K HA 0.450 4.770 4.320 -0.000 0.000 0.251 421 K C -2.439 174.137 176.600 -0.040 0.000 0.944 421 K CA -1.901 54.382 56.287 -0.007 0.000 0.829 421 K CB 1.427 33.913 32.500 -0.023 0.000 1.125 421 K HN 0.231 nan 8.250 nan 0.000 0.430 422 P HA -0.070 nan 4.420 nan 0.000 0.257 422 P C -2.199 175.020 177.300 -0.136 0.000 1.162 422 P CA -0.459 62.613 63.100 -0.047 0.000 0.762 422 P CB -0.209 31.477 31.700 -0.023 0.000 0.753 423 P HA 0.004 nan 4.420 nan 0.000 0.271 423 P C -0.465 176.716 177.300 -0.198 0.000 1.244 423 P CA 0.152 63.132 63.100 -0.200 0.000 0.793 423 P CB 0.603 32.234 31.700 -0.115 0.000 0.984 424 H N 0.860 119.951 119.070 0.035 0.000 2.610 424 H HA 0.264 4.820 4.556 -0.000 0.000 0.336 424 H C 0.807 176.141 175.328 0.010 0.000 1.087 424 H CA -0.029 55.996 56.048 -0.039 0.000 1.405 424 H CB 0.696 30.361 29.762 -0.161 0.000 1.460 424 H HN 0.268 nan 8.280 nan 0.000 0.538 425 R N 2.425 122.959 120.500 0.056 0.000 2.357 425 R HA 0.235 4.575 4.340 -0.000 0.000 0.296 425 R C -0.472 175.811 176.300 -0.028 0.000 1.052 425 R CA -0.274 55.864 56.100 0.062 0.000 0.988 425 R CB 0.675 30.986 30.300 0.019 0.000 1.025 425 R HN 0.484 nan 8.270 nan 0.000 0.469 426 Y N 0.343 120.527 120.300 -0.193 0.000 2.719 426 Y HA 0.174 4.724 4.550 -0.000 0.000 0.335 426 Y C 1.365 177.321 175.900 0.094 0.000 1.198 426 Y CA -1.194 56.790 58.100 -0.193 0.000 1.274 426 Y CB 0.375 38.650 38.460 -0.309 0.000 1.500 426 Y HN 0.449 nan 8.280 nan 0.000 0.616 427 N N -0.471 118.680 118.700 0.752 0.000 2.520 427 N HA -0.102 4.638 4.740 -0.000 0.000 0.185 427 N C -0.076 175.665 175.510 0.384 0.000 1.068 427 N CA 0.905 54.260 53.050 0.508 0.000 0.911 427 N CB -0.344 38.361 38.487 0.364 0.000 0.961 427 N HN 0.651 nan 8.380 nan 0.000 0.446 428 H N -3.292 115.882 119.070 0.173 0.000 2.505 428 H HA 0.565 5.121 4.556 -0.000 0.000 0.260 428 H C 1.188 176.494 175.328 -0.036 0.000 1.168 428 H CA -0.378 55.689 56.048 0.031 0.000 0.945 428 H CB -0.023 29.704 29.762 -0.058 0.000 1.800 428 H HN 0.040 nan 8.280 nan 0.000 0.586 429 G N 1.214 109.975 108.800 -0.065 0.000 2.561 429 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.289 429 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.289 429 G C 0.070 174.847 174.900 -0.203 0.000 1.169 429 G CA 0.044 45.088 45.100 -0.095 0.000 0.980 429 G HN 0.517 nan 8.290 nan 0.000 0.550 430 T N 5.526 119.969 114.554 -0.186 0.000 2.851 430 T HA 0.514 4.864 4.350 -0.000 0.000 0.298 430 T C -1.647 172.807 174.700 -0.409 0.000 0.977 430 T CA 0.202 62.180 62.100 -0.204 0.000 1.126 430 T CB 1.515 70.338 68.868 -0.075 0.000 0.916 430 T HN 0.652 nan 8.240 nan 0.000 0.529 431 P HA 0.064 nan 4.420 nan 0.000 0.268 431 P C 0.058 177.219 177.300 -0.231 0.000 1.205 431 P CA -0.208 62.559 63.100 -0.555 0.000 0.771 431 P CB 0.592 32.026 31.700 -0.443 0.000 0.858 432 F N 1.456 121.332 119.950 -0.123 0.000 2.262 432 F HA 0.208 4.735 4.527 -0.000 0.000 0.292 432 F C 1.671 177.462 175.800 -0.016 0.000 1.081 432 F CA 0.296 58.270 58.000 -0.043 0.000 1.355 432 F CB -0.996 38.009 39.000 0.008 0.000 1.069 432 F HN 0.301 nan 8.300 nan 0.000 0.506 433 A N 0.273 123.197 122.820 0.174 0.000 2.431 433 A HA 0.436 4.756 4.320 -0.000 0.000 0.318 433 A C -1.189 176.418 177.584 0.039 0.000 1.330 433 A CA -0.413 51.690 52.037 0.110 0.000 0.804 433 A CB -0.108 18.970 19.000 0.131 0.000 1.135 433 A HN 0.027 nan 8.150 nan 0.000 0.483 434 D N 3.379 123.792 120.400 0.021 0.000 2.485 434 D HA 0.201 4.841 4.640 -0.000 0.000 0.221 434 D C 1.024 177.341 176.300 0.029 0.000 1.112 434 D CA -0.494 53.510 54.000 0.007 0.000 0.911 434 D CB 0.425 41.205 40.800 -0.034 0.000 1.019 434 D HN 0.307 nan 8.370 nan 0.000 0.516 435 L N 2.816 124.065 121.223 0.044 0.000 2.357 435 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 435 L C 2.021 178.910 176.870 0.031 0.000 1.123 435 L CA 1.381 56.246 54.840 0.042 0.000 0.782 435 L CB -0.667 41.421 42.059 0.048 0.000 0.910 435 L HN 0.669 nan 8.230 nan 0.000 0.442 436 Q N 0.120 119.936 119.800 0.027 0.000 2.297 436 Q HA -0.153 4.187 4.340 -0.000 0.000 0.208 436 Q C 0.569 176.572 176.000 0.005 0.000 0.981 436 Q CA 0.836 56.647 55.803 0.013 0.000 0.876 436 Q CB 0.137 28.876 28.738 0.001 0.000 0.921 436 Q HN 0.455 nan 8.270 nan 0.000 0.446 437 I N 2.609 123.186 120.570 0.011 0.000 2.328 437 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 437 I C -0.451 175.675 176.117 0.016 0.000 1.012 437 I CA -0.667 60.640 61.300 0.011 0.000 1.195 437 I CB 1.295 39.309 38.000 0.025 0.000 1.350 437 I HN -0.109 nan 8.210 nan 0.000 0.464 438 K N 5.591 125.992 120.400 0.003 0.000 2.110 438 K HA 0.314 4.633 4.320 -0.000 0.000 0.263 438 K C -0.177 176.424 176.600 0.002 0.000 0.975 438 K CA -0.636 55.653 56.287 0.004 0.000 0.895 438 K CB 1.720 34.215 32.500 -0.007 0.000 1.060 438 K HN 0.547 nan 8.250 nan 0.000 0.448 439 E N 1.865 122.073 120.200 0.013 0.000 2.376 439 E HA -0.035 4.315 4.350 -0.000 0.000 0.266 439 E C -0.578 176.021 176.600 -0.002 0.000 1.009 439 E CA 0.117 56.527 56.400 0.016 0.000 0.902 439 E CB 0.293 30.013 29.700 0.033 0.000 0.972 439 E HN 0.397 nan 8.360 nan 0.000 0.439 440 R N 3.155 123.647 120.500 -0.014 0.000 3.084 440 R HA -0.176 4.164 4.340 -0.000 0.000 0.258 440 R C -0.692 175.579 176.300 -0.047 0.000 0.914 440 R CA 0.377 56.459 56.100 -0.030 0.000 0.646 440 R CB -1.041 29.250 30.300 -0.015 0.000 1.330 440 R HN 0.596 nan 8.270 nan 0.000 0.465 441 M N 2.337 121.896 119.600 -0.069 0.000 2.291 441 M HA 0.414 4.894 4.480 -0.000 0.000 0.324 441 M C -1.514 174.717 176.300 -0.117 0.000 1.148 441 M CA -1.606 53.643 55.300 -0.085 0.000 1.104 441 M CB 0.708 33.252 32.600 -0.094 0.000 1.483 441 M HN 0.115 nan 8.290 nan 0.000 0.467 442 P HA 0.315 nan 4.420 nan 0.000 0.290 442 P C -1.474 175.713 177.300 -0.187 0.000 1.276 442 P CA -0.380 62.641 63.100 -0.131 0.000 0.808 442 P CB 0.738 32.380 31.700 -0.095 0.000 0.966 443 R N 2.681 123.037 120.500 -0.239 0.000 2.297 443 R HA 0.370 4.710 4.340 -0.000 0.000 0.308 443 R C 0.410 176.574 176.300 -0.228 0.000 1.029 443 R CA -0.688 55.215 56.100 -0.329 0.000 0.929 443 R CB 1.409 31.374 30.300 -0.558 0.000 1.046 443 R HN 0.404 nan 8.270 nan 0.000 0.461 444 R N 1.276 121.646 120.500 -0.217 0.000 2.248 444 R HA 0.063 4.403 4.340 -0.000 0.000 0.328 444 R C 0.767 177.006 176.300 -0.101 0.000 1.067 444 R CA -0.037 55.974 56.100 -0.149 0.000 0.924 444 R CB 0.743 30.945 30.300 -0.164 0.000 1.013 444 R HN 0.714 nan 8.270 nan 0.000 0.454 445 T N -2.341 112.179 114.554 -0.056 0.000 3.100 445 T HA -0.070 4.280 4.350 -0.000 0.000 0.253 445 T C 0.866 175.573 174.700 0.012 0.000 1.118 445 T CA 0.247 62.340 62.100 -0.012 0.000 1.058 445 T CB -0.009 68.842 68.868 -0.029 0.000 0.953 445 T HN 0.588 nan 8.240 nan 0.000 0.515 446 D N 0.784 121.187 120.400 0.004 0.000 2.325 446 D HA 0.063 4.703 4.640 -0.000 0.000 0.225 446 D C 1.178 177.556 176.300 0.129 0.000 1.096 446 D CA -0.076 53.946 54.000 0.036 0.000 0.844 446 D CB 0.113 40.902 40.800 -0.019 0.000 0.925 446 D HN 0.320 nan 8.370 nan 0.000 0.513 447 K N -0.129 120.367 120.400 0.159 0.000 2.374 447 K HA 0.212 4.532 4.320 -0.000 0.000 0.202 447 K C 0.041 176.875 176.600 0.390 0.000 1.040 447 K CA -0.228 56.218 56.287 0.266 0.000 1.085 447 K CB 0.651 33.041 32.500 -0.185 0.000 0.873 447 K HN 0.107 nan 8.250 nan 0.000 0.539 448 M N 0.450 120.258 119.600 0.346 0.000 2.413 448 M HA 0.429 4.909 4.480 -0.000 0.000 0.287 448 M C -2.207 174.151 176.300 0.097 0.000 1.186 448 M CA -0.537 54.776 55.300 0.023 0.000 0.927 448 M CB 2.269 34.920 32.600 0.085 0.000 1.715 448 M HN -0.049 nan 8.290 nan 0.000 0.478 449 A N 4.962 127.742 122.820 -0.067 0.000 2.335 449 A HA 0.744 5.064 4.320 -0.000 0.000 0.304 449 A C -1.873 175.548 177.584 -0.272 0.000 1.118 449 A CA -0.647 51.364 52.037 -0.043 0.000 0.757 449 A CB 1.290 20.449 19.000 0.265 0.000 1.188 449 A HN 0.714 nan 8.150 nan 0.000 0.460 450 L N 2.773 123.745 121.223 -0.419 0.000 2.322 450 L HA 0.670 5.010 4.340 -0.000 0.000 0.281 450 L C -1.591 174.914 176.870 -0.609 0.000 1.014 450 L CA -0.273 54.338 54.840 -0.381 0.000 0.815 450 L CB 1.016 42.953 42.059 -0.204 0.000 1.247 450 L HN 0.659 nan 8.230 nan 0.000 0.421 451 F N 3.166 123.129 119.950 0.023 0.000 2.553 451 F HA 0.714 5.241 4.527 -0.000 0.000 0.335 451 F C 0.198 176.100 175.800 0.170 0.000 1.148 451 F CA -0.617 57.428 58.000 0.076 0.000 0.963 451 F CB 1.858 40.848 39.000 -0.016 0.000 1.217 451 F HN 0.496 nan 8.300 nan 0.000 0.441 452 A N 3.938 126.903 122.820 0.240 0.000 2.606 452 A HA 0.722 5.042 4.320 -0.000 0.000 0.293 452 A C -2.494 174.757 177.584 -0.555 0.000 1.082 452 A CA -1.421 50.533 52.037 -0.139 0.000 0.685 452 A CB 1.612 20.376 19.000 -0.393 0.000 1.284 452 A HN 0.332 nan 8.150 nan 0.000 0.408 453 P HA 0.025 nan 4.420 nan 0.000 0.261 453 P C -0.712 176.548 177.300 -0.066 0.000 1.288 453 P CA 1.370 64.201 63.100 -0.448 0.000 0.751 453 P CB -0.901 30.681 31.700 -0.196 0.000 1.103 454 Y N -4.458 115.770 120.300 -0.121 0.000 2.662 454 Y HA 0.416 4.966 4.550 -0.000 0.000 0.334 454 Y C -0.286 175.412 175.900 -0.336 0.000 1.185 454 Y CA -2.072 55.919 58.100 -0.180 0.000 1.074 454 Y CB 0.353 38.869 38.460 0.093 0.000 1.330 454 Y HN -0.396 nan 8.280 nan 0.000 0.458 455 R N 2.272 122.489 120.500 -0.471 0.000 2.606 455 R HA 0.530 4.870 4.340 -0.000 0.000 0.276 455 R C -0.055 176.257 176.300 0.020 0.000 1.416 455 R CA 0.443 56.375 56.100 -0.280 0.000 1.064 455 R CB -0.601 29.493 30.300 -0.342 0.000 1.117 455 R HN 0.843 nan 8.270 nan 0.000 0.543 456 A N 5.362 128.197 122.820 0.026 0.000 2.425 456 A HA 0.203 4.523 4.320 -0.000 0.000 0.242 456 A C -1.610 175.979 177.584 0.008 0.000 1.077 456 A CA -1.297 50.803 52.037 0.106 0.000 0.781 456 A CB 0.289 19.242 19.000 -0.078 0.000 1.020 456 A HN 0.528 nan 8.150 nan 0.000 0.494 457 P HA -0.131 nan 4.420 nan 0.000 0.214 457 P C 0.802 177.928 177.300 -0.289 0.000 1.163 457 P CA 1.112 64.162 63.100 -0.084 0.000 0.883 457 P CB -0.092 31.608 31.700 0.001 0.000 0.788 458 L N -1.994 118.987 121.223 -0.403 0.000 2.749 458 L HA 0.041 4.381 4.340 -0.000 0.000 0.245 458 L C 2.147 178.806 176.870 -0.352 0.000 1.156 458 L CA 1.053 55.525 54.840 -0.614 0.000 0.890 458 L CB -1.114 40.592 42.059 -0.588 0.000 1.036 458 L HN -0.021 nan 8.230 nan 0.000 0.441 459 M N -0.930 118.551 119.600 -0.198 0.000 2.558 459 M HA -0.068 4.411 4.480 -0.000 0.000 0.255 459 M C 2.047 178.375 176.300 0.047 0.000 1.113 459 M CA 0.811 56.101 55.300 -0.017 0.000 1.097 459 M CB 0.188 32.800 32.600 0.020 0.000 1.426 459 M HN 0.025 nan 8.290 nan 0.000 0.488 460 K N -0.250 120.088 120.400 -0.102 0.000 2.097 460 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 460 K C 0.601 177.308 176.600 0.179 0.000 1.050 460 K CA 1.328 57.614 56.287 -0.001 0.000 0.938 460 K CB -0.025 32.418 32.500 -0.095 0.000 0.718 460 K HN 0.407 nan 8.250 nan 0.000 0.442 461 W N 0.473 121.733 121.300 -0.065 0.000 3.325 461 W HA 0.461 5.121 4.660 -0.000 0.000 0.370 461 W C -0.468 175.988 176.519 -0.106 0.000 1.169 461 W CA -0.956 56.340 57.345 -0.082 0.000 1.874 461 W CB -1.133 28.283 29.460 -0.073 0.000 1.076 461 W HN -0.064 nan 8.180 nan 0.000 0.684 462 A N 0.214 123.043 122.820 0.014 0.000 2.291 462 A HA 0.729 5.049 4.320 -0.000 0.000 0.311 462 A C 0.964 178.286 177.584 -0.437 0.000 1.224 462 A CA 0.095 52.056 52.037 -0.126 0.000 0.821 462 A CB 1.188 20.123 19.000 -0.108 0.000 1.172 462 A HN 0.071 nan 8.150 nan 0.000 0.494 463 A N 3.068 125.728 122.820 -0.267 0.000 1.935 463 A HA 0.242 4.562 4.320 -0.000 0.000 0.214 463 A C 0.828 178.247 177.584 -0.274 0.000 1.178 463 A CA 0.792 52.649 52.037 -0.299 0.000 0.640 463 A CB -0.112 18.827 19.000 -0.102 0.000 0.825 463 A HN 0.730 nan 8.150 nan 0.000 0.447 464 I N 2.179 122.683 120.570 -0.111 0.000 2.269 464 I HA 0.236 4.406 4.170 -0.000 0.000 0.293 464 I C -0.490 175.580 176.117 -0.080 0.000 1.106 464 I CA 0.044 61.347 61.300 0.005 0.000 1.248 464 I CB -1.459 36.605 38.000 0.106 0.000 1.444 464 I HN 0.545 nan 8.210 nan 0.000 0.497 465 H N 2.975 121.945 119.070 -0.167 0.000 3.096 465 H HA 0.666 5.222 4.556 -0.000 0.000 0.335 465 H C -1.156 174.095 175.328 -0.128 0.000 0.990 465 H CA -0.769 55.108 56.048 -0.284 0.000 1.393 465 H CB 2.251 31.909 29.762 -0.174 0.000 1.742 465 H HN 0.316 nan 8.280 nan 0.000 0.501 466 E N 3.300 123.481 120.200 -0.032 0.000 2.248 466 E HA 0.237 4.587 4.350 -0.000 0.000 0.267 466 E C -0.801 175.952 176.600 0.255 0.000 0.877 466 E CA -1.010 55.511 56.400 0.203 0.000 0.759 466 E CB 3.224 33.202 29.700 0.462 0.000 1.182 466 E HN 0.481 nan 8.360 nan 0.000 0.418 467 V N 5.965 125.932 119.914 0.089 0.000 2.461 467 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 467 V C 0.590 176.754 176.094 0.116 0.000 1.047 467 V CA -0.255 62.067 62.300 0.036 0.000 0.955 467 V CB 0.605 32.377 31.823 -0.084 0.000 0.988 467 V HN 0.614 nan 8.190 nan 0.000 0.471 468 H N 5.748 124.823 119.070 0.009 0.000 3.605 468 H HA 0.682 5.237 4.556 -0.000 0.000 0.307 468 H C -0.516 174.798 175.328 -0.023 0.000 1.692 468 H CA -1.219 54.823 56.048 -0.010 0.000 1.453 468 H CB 0.946 30.690 29.762 -0.030 0.000 1.511 468 H HN 0.518 nan 8.280 nan 0.000 0.809 469 R N 0.164 120.693 120.500 0.048 0.000 2.668 469 R HA 0.447 4.787 4.340 -0.000 0.000 0.279 469 R C -3.088 173.147 176.300 -0.110 0.000 0.976 469 R CA -2.116 53.952 56.100 -0.053 0.000 0.978 469 R CB 0.454 30.748 30.300 -0.010 0.000 1.133 469 R HN 0.281 nan 8.270 nan 0.000 0.484 470 P HA 0.018 nan 4.420 nan 0.000 0.264 470 P C 0.233 177.374 177.300 -0.266 0.000 1.183 470 P CA 1.089 63.899 63.100 -0.484 0.000 0.763 470 P CB 0.295 31.662 31.700 -0.554 0.000 0.807 471 G N 2.530 111.180 108.800 -0.250 0.000 2.372 471 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.297 471 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.297 471 G C 0.289 175.166 174.900 -0.038 0.000 1.005 471 G CA 0.486 45.530 45.100 -0.092 0.000 1.173 471 G HN 0.697 nan 8.290 nan 0.000 0.511 472 E N -0.830 119.366 120.200 -0.006 0.000 3.083 472 E HA 0.089 4.439 4.350 -0.000 0.000 0.168 472 E C 1.599 178.153 176.600 -0.077 0.000 0.934 472 E CA 0.241 56.631 56.400 -0.018 0.000 1.361 472 E CB 0.113 29.818 29.700 0.009 0.000 1.032 472 E HN 0.432 nan 8.360 nan 0.000 0.447 473 E N 0.752 120.905 120.200 -0.079 0.000 2.274 473 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 473 E C 1.695 178.191 176.600 -0.173 0.000 0.996 473 E CA 0.451 56.744 56.400 -0.179 0.000 0.840 473 E CB -0.137 29.515 29.700 -0.080 0.000 0.772 473 E HN 0.436 nan 8.360 nan 0.000 0.491 474 R N 1.738 122.171 120.500 -0.112 0.000 2.082 474 R HA -0.110 4.229 4.340 -0.000 0.000 0.234 474 R C 2.068 178.290 176.300 -0.129 0.000 1.136 474 R CA 1.357 57.397 56.100 -0.100 0.000 0.935 474 R CB -0.767 29.495 30.300 -0.064 0.000 0.842 474 R HN 0.113 nan 8.270 nan 0.000 0.430 475 E N 0.587 120.711 120.200 -0.127 0.000 2.136 475 E HA -0.251 4.099 4.350 -0.000 0.000 0.208 475 E C 1.994 178.483 176.600 -0.185 0.000 1.035 475 E CA 1.949 58.268 56.400 -0.134 0.000 0.838 475 E CB -0.280 29.346 29.700 -0.123 0.000 0.748 475 E HN 0.253 nan 8.360 nan 0.000 0.459 476 I N 0.429 120.838 120.570 -0.267 0.000 2.076 476 I HA -0.283 3.887 4.170 -0.000 0.000 0.237 476 I C 2.318 178.263 176.117 -0.286 0.000 1.059 476 I CA 1.300 62.379 61.300 -0.369 0.000 1.317 476 I CB -0.620 37.038 38.000 -0.569 0.000 1.037 476 I HN 0.066 nan 8.210 nan 0.000 0.398 477 L N -0.649 120.431 121.223 -0.238 0.000 2.042 477 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 477 L C 2.472 179.249 176.870 -0.156 0.000 1.076 477 L CA 1.412 56.137 54.840 -0.191 0.000 0.749 477 L CB -0.766 41.205 42.059 -0.148 0.000 0.893 477 L HN 0.236 nan 8.230 nan 0.000 0.432 478 L N -0.755 120.388 121.223 -0.133 0.000 1.978 478 L HA -0.353 3.987 4.340 -0.000 0.000 0.218 478 L C 2.737 179.548 176.870 -0.099 0.000 1.075 478 L CA 1.736 56.516 54.840 -0.101 0.000 0.767 478 L CB -0.480 41.526 42.059 -0.088 0.000 0.890 478 L HN 0.346 nan 8.230 nan 0.000 0.434 479 A N -0.128 122.624 122.820 -0.114 0.000 1.884 479 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 479 A C 2.115 179.645 177.584 -0.090 0.000 1.197 479 A CA 2.157 54.135 52.037 -0.098 0.000 0.637 479 A CB -1.105 17.822 19.000 -0.122 0.000 0.827 479 A HN 0.520 nan 8.150 nan 0.000 0.450 480 L N -0.860 120.288 121.223 -0.125 0.000 2.197 480 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 480 L C 2.462 179.265 176.870 -0.111 0.000 1.095 480 L CA 1.068 55.834 54.840 -0.124 0.000 0.764 480 L CB -0.602 41.338 42.059 -0.198 0.000 0.897 480 L HN 0.410 nan 8.230 nan 0.000 0.436 481 L N -0.805 120.357 121.223 -0.101 0.000 2.179 481 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 481 L C 1.615 178.467 176.870 -0.030 0.000 1.096 481 L CA 0.971 55.769 54.840 -0.070 0.000 0.779 481 L CB -0.378 41.641 42.059 -0.067 0.000 0.922 481 L HN 0.512 nan 8.230 nan 0.000 0.443 482 G N -0.996 107.785 108.800 -0.031 0.000 2.168 482 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.197 482 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.197 482 G C 0.334 175.224 174.900 -0.017 0.000 0.997 482 G CA 0.116 45.208 45.100 -0.014 0.000 0.658 482 G HN 0.277 nan 8.290 nan 0.000 0.513 483 D N 0.014 120.397 120.400 -0.028 0.000 2.339 483 D HA 0.191 4.831 4.640 -0.000 0.000 0.217 483 D C 1.175 177.458 176.300 -0.029 0.000 1.050 483 D CA 0.838 54.823 54.000 -0.026 0.000 0.856 483 D CB 0.516 41.299 40.800 -0.029 0.000 0.922 483 D HN 0.309 nan 8.370 nan 0.000 0.518 484 K N 0.190 120.569 120.400 -0.035 0.000 2.556 484 K HA 0.315 4.635 4.320 -0.000 0.000 0.289 484 K C -0.488 176.090 176.600 -0.037 0.000 1.040 484 K CA -0.540 55.725 56.287 -0.036 0.000 0.894 484 K CB 1.695 34.168 32.500 -0.044 0.000 1.547 484 K HN -0.130 nan 8.250 nan 0.000 0.417 485 E N -0.251 119.928 120.200 -0.035 0.000 2.312 485 E HA 0.690 5.040 4.350 -0.000 0.000 0.259 485 E C 0.089 176.660 176.600 -0.048 0.000 1.122 485 E CA -0.901 55.479 56.400 -0.033 0.000 0.922 485 E CB 1.082 30.767 29.700 -0.024 0.000 1.109 485 E HN 0.645 nan 8.360 nan 0.000 0.442 486 G N -0.034 108.739 108.800 -0.045 0.000 2.550 486 G HA2 0.317 4.277 3.960 -0.000 0.000 0.293 486 G HA3 0.317 4.277 3.960 -0.000 0.000 0.293 486 G C -0.811 174.064 174.900 -0.042 0.000 1.402 486 G CA -0.590 44.471 45.100 -0.064 0.000 0.784 486 G HN 0.526 nan 8.290 nan 0.000 0.482 487 S N -0.508 115.163 115.700 -0.047 0.000 2.566 487 S HA 0.124 4.594 4.470 -0.000 0.000 0.280 487 S C 1.161 175.775 174.600 0.023 0.000 1.343 487 S CA 0.991 59.187 58.200 -0.005 0.000 1.036 487 S CB 0.987 64.193 63.200 0.010 0.000 0.866 487 S HN 0.723 nan 8.310 nan 0.000 0.526 488 E N 1.392 121.618 120.200 0.043 0.000 2.068 488 E HA -0.244 4.106 4.350 -0.000 0.000 0.207 488 E C 2.094 178.749 176.600 0.093 0.000 1.032 488 E CA 1.923 58.357 56.400 0.057 0.000 0.839 488 E CB -0.338 29.397 29.700 0.058 0.000 0.758 488 E HN 0.652 nan 8.360 nan 0.000 0.457 489 M N 0.534 120.221 119.600 0.144 0.000 2.073 489 M HA -0.175 4.305 4.480 -0.000 0.000 0.258 489 M C 2.591 179.071 176.300 0.299 0.000 1.070 489 M CA 1.285 56.732 55.300 0.246 0.000 1.103 489 M CB -1.195 31.619 32.600 0.358 0.000 1.321 489 M HN 0.061 nan 8.290 nan 0.000 0.405 490 V N 0.649 120.666 119.914 0.172 0.000 2.380 490 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 490 V C 2.761 178.893 176.094 0.063 0.000 1.063 490 V CA 1.928 64.229 62.300 0.001 0.000 1.055 490 V CB -1.661 30.036 31.823 -0.210 0.000 0.657 490 V HN 0.522 nan 8.190 nan 0.000 0.455 491 A N -0.154 122.703 122.820 0.061 0.000 1.855 491 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 491 A C 2.310 179.941 177.584 0.079 0.000 1.191 491 A CA 1.775 53.843 52.037 0.053 0.000 0.613 491 A CB -0.442 18.580 19.000 0.037 0.000 0.829 491 A HN 0.517 nan 8.150 nan 0.000 0.442 492 K N -0.170 120.289 120.400 0.098 0.000 2.152 492 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 492 K C 2.219 178.884 176.600 0.109 0.000 1.048 492 K CA 1.063 57.401 56.287 0.085 0.000 0.933 492 K CB -0.301 32.253 32.500 0.091 0.000 0.721 492 K HN 0.465 nan 8.250 nan 0.000 0.447 493 A N 1.882 124.825 122.820 0.204 0.000 1.873 493 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 493 A C 2.062 179.792 177.584 0.242 0.000 1.186 493 A CA 1.733 53.948 52.037 0.297 0.000 0.616 493 A CB -0.343 18.949 19.000 0.486 0.000 0.823 493 A HN 0.145 nan 8.150 nan 0.000 0.442 494 K N 0.467 120.969 120.400 0.170 0.000 1.991 494 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 494 K C 1.930 178.619 176.600 0.148 0.000 1.049 494 K CA 2.288 58.666 56.287 0.152 0.000 0.932 494 K CB -0.566 31.980 32.500 0.077 0.000 0.717 494 K HN 0.520 nan 8.250 nan 0.000 0.441 495 E N -0.733 119.515 120.200 0.081 0.000 2.171 495 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 495 E C 1.623 178.217 176.600 -0.009 0.000 0.997 495 E CA 1.143 57.565 56.400 0.035 0.000 0.810 495 E CB -0.188 29.521 29.700 0.014 0.000 0.738 495 E HN 0.465 nan 8.360 nan 0.000 0.467 496 A N 1.602 124.401 122.820 -0.035 0.000 1.832 496 A HA -0.177 4.143 4.320 -0.000 0.000 0.214 496 A C 2.011 179.482 177.584 -0.189 0.000 1.204 496 A CA 1.077 52.968 52.037 -0.244 0.000 0.606 496 A CB -1.386 17.346 19.000 -0.446 0.000 0.849 496 A HN 0.700 nan 8.150 nan 0.000 0.445 497 W N 1.350 122.594 121.300 -0.092 0.000 2.308 497 W HA -0.202 4.458 4.660 -0.000 0.000 0.301 497 W C 1.563 178.101 176.519 0.031 0.000 1.220 497 W CA 2.303 59.695 57.345 0.079 0.000 1.240 497 W CB -0.140 29.416 29.460 0.159 0.000 1.142 497 W HN 0.440 nan 8.180 nan 0.000 0.521 498 E N 0.394 120.669 120.200 0.125 0.000 2.106 498 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 498 E C 1.939 178.499 176.600 -0.065 0.000 0.984 498 E CA 1.400 57.829 56.400 0.048 0.000 0.806 498 E CB -0.497 29.254 29.700 0.085 0.000 0.750 498 E HN 0.437 nan 8.360 nan 0.000 0.458 499 K N 0.572 120.914 120.400 -0.097 0.000 2.296 499 K HA 0.121 4.441 4.320 -0.000 0.000 0.200 499 K C 0.914 177.433 176.600 -0.136 0.000 1.048 499 K CA 0.320 56.543 56.287 -0.108 0.000 0.966 499 K CB 0.207 32.640 32.500 -0.111 0.000 0.754 499 K HN -0.050 nan 8.250 nan 0.000 0.466 500 A N 1.908 124.610 122.820 -0.197 0.000 2.488 500 A HA 0.062 4.382 4.320 -0.000 0.000 0.249 500 A C 0.415 177.883 177.584 -0.194 0.000 1.083 500 A CA -0.231 51.695 52.037 -0.185 0.000 0.768 500 A CB 0.434 19.317 19.000 -0.194 0.000 1.017 500 A HN 0.080 nan 8.150 nan 0.000 0.496 501 K N 1.836 122.165 120.400 -0.118 0.000 1.991 501 K HA 0.041 4.361 4.320 -0.000 0.000 0.208 501 K C 0.343 176.878 176.600 -0.109 0.000 1.038 501 K CA 1.223 57.452 56.287 -0.095 0.000 0.943 501 K CB 0.078 32.547 32.500 -0.051 0.000 0.736 501 K HN 0.564 nan 8.250 nan 0.000 0.440 502 N N 1.696 120.351 118.700 -0.075 0.000 2.904 502 N HA 0.253 4.992 4.740 -0.000 0.000 0.257 502 N C -2.699 172.775 175.510 -0.059 0.000 1.363 502 N CA -1.154 51.858 53.050 -0.063 0.000 0.856 502 N CB 1.452 39.928 38.487 -0.019 0.000 1.166 502 N HN 0.146 nan 8.380 nan 0.000 0.499 503 P HA 0.389 nan 4.420 nan 0.000 0.284 503 P C -0.556 176.715 177.300 -0.049 0.000 1.287 503 P CA -0.458 62.577 63.100 -0.109 0.000 0.824 503 P CB 2.049 33.574 31.700 -0.292 0.000 1.180 504 V N 0.486 120.412 119.914 0.019 0.000 2.789 504 V HA 0.325 4.445 4.120 -0.000 0.000 0.311 504 V C -0.155 176.041 176.094 0.170 0.000 1.073 504 V CA -0.794 61.548 62.300 0.070 0.000 0.921 504 V CB 1.888 33.672 31.823 -0.066 0.000 1.009 504 V HN 0.402 nan 8.190 nan 0.000 0.426 505 L N 5.287 126.634 121.223 0.208 0.000 2.307 505 L HA 0.673 5.013 4.340 -0.000 0.000 0.284 505 L C -0.708 176.160 176.870 -0.004 0.000 1.023 505 L CA 0.217 55.141 54.840 0.139 0.000 0.810 505 L CB 1.090 43.220 42.059 0.118 0.000 1.231 505 L HN 0.543 nan 8.230 nan 0.000 0.423 506 I N 6.514 127.056 120.570 -0.046 0.000 2.436 506 I HA 0.485 4.655 4.170 -0.000 0.000 0.289 506 I C -1.229 174.831 176.117 -0.094 0.000 1.010 506 I CA -0.738 60.508 61.300 -0.089 0.000 1.098 506 I CB 1.592 39.534 38.000 -0.097 0.000 1.266 506 I HN 0.456 nan 8.210 nan 0.000 0.434 507 L N 3.625 124.764 121.223 -0.140 0.000 2.540 507 L HA 0.957 5.297 4.340 -0.000 0.000 0.256 507 L C 0.057 176.839 176.870 -0.147 0.000 1.001 507 L CA -0.383 54.378 54.840 -0.132 0.000 0.843 507 L CB 1.425 43.384 42.059 -0.167 0.000 1.436 507 L HN 0.584 nan 8.230 nan 0.000 0.410 508 G N -0.923 107.822 108.800 -0.093 0.000 2.792 508 G HA2 0.386 4.345 3.960 -0.000 0.000 0.201 508 G HA3 0.386 4.345 3.960 -0.000 0.000 0.201 508 G C 0.725 175.604 174.900 -0.035 0.000 1.570 508 G CA 0.890 45.945 45.100 -0.075 0.000 0.671 508 G HN 0.936 nan 8.290 nan 0.000 1.060 509 A N 1.053 123.872 122.820 -0.001 0.000 1.843 509 A HA 0.408 4.728 4.320 -0.000 0.000 0.213 509 A C 2.383 179.982 177.584 0.025 0.000 1.202 509 A CA 2.006 54.066 52.037 0.038 0.000 0.607 509 A CB -1.002 18.070 19.000 0.121 0.000 0.847 509 A HN 0.934 nan 8.150 nan 0.000 0.445 510 G N -0.373 108.443 108.800 0.026 0.000 3.028 510 G HA2 0.205 4.165 3.960 -0.000 0.000 0.205 510 G HA3 0.205 4.165 3.960 -0.000 0.000 0.205 510 G C 0.768 175.663 174.900 -0.008 0.000 1.182 510 G CA 0.711 45.813 45.100 0.004 0.000 0.860 510 G HN 0.288 nan 8.290 nan 0.000 0.507 511 V N -0.338 119.567 119.914 -0.015 0.000 3.461 511 V HA 0.082 4.202 4.120 -0.000 0.000 0.267 511 V C 1.997 178.097 176.094 0.010 0.000 1.186 511 V CA 0.473 62.782 62.300 0.015 0.000 1.154 511 V CB 0.161 31.976 31.823 -0.013 0.000 0.802 511 V HN 0.329 nan 8.190 nan 0.000 0.474 512 L N -0.121 121.061 121.223 -0.069 0.000 2.607 512 L HA 0.314 4.654 4.340 -0.000 0.000 0.228 512 L C 1.024 177.779 176.870 -0.191 0.000 1.123 512 L CA 1.023 55.751 54.840 -0.187 0.000 0.890 512 L CB -0.008 41.801 42.059 -0.416 0.000 1.103 512 L HN 0.255 nan 8.230 nan 0.000 0.468 513 Q N 0.112 119.867 119.800 -0.076 0.000 2.815 513 Q HA 0.103 4.443 4.340 -0.000 0.000 0.329 513 Q C 0.745 176.752 176.000 0.012 0.000 1.037 513 Q CA -0.089 55.701 55.803 -0.022 0.000 1.002 513 Q CB 0.730 29.457 28.738 -0.017 0.000 1.274 513 Q HN 0.456 nan 8.270 nan 0.000 0.452 514 D N -0.237 120.179 120.400 0.027 0.000 2.248 514 D HA -0.303 4.336 4.640 -0.000 0.000 0.191 514 D C 1.350 177.661 176.300 0.019 0.000 1.013 514 D CA 2.171 56.191 54.000 0.033 0.000 0.883 514 D CB -0.196 40.625 40.800 0.034 0.000 0.915 514 D HN 0.356 nan 8.370 nan 0.000 0.448 515 T N -0.251 114.312 114.554 0.015 0.000 2.684 515 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 515 T C 2.058 176.754 174.700 -0.006 0.000 1.032 515 T CA 2.877 64.980 62.100 0.004 0.000 1.155 515 T CB -0.372 68.499 68.868 0.005 0.000 0.857 515 T HN 0.203 nan 8.240 nan 0.000 0.457 516 V N 1.398 121.310 119.914 -0.002 0.000 2.341 516 V HA 0.221 4.341 4.120 -0.000 0.000 0.240 516 V C 3.126 179.232 176.094 0.020 0.000 1.035 516 V CA 1.264 63.559 62.300 -0.008 0.000 1.033 516 V CB -1.521 30.294 31.823 -0.015 0.000 0.678 516 V HN 0.572 nan 8.190 nan 0.000 0.464 517 A N 0.571 123.426 122.820 0.060 0.000 1.997 517 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 517 A C 2.391 180.008 177.584 0.055 0.000 1.172 517 A CA 2.414 54.538 52.037 0.146 0.000 0.645 517 A CB -0.846 18.271 19.000 0.196 0.000 0.813 517 A HN 0.633 nan 8.150 nan 0.000 0.454 518 A N 0.714 123.534 122.820 -0.001 0.000 1.883 518 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 518 A C 1.978 179.525 177.584 -0.061 0.000 1.186 518 A CA 1.831 53.839 52.037 -0.048 0.000 0.624 518 A CB -0.637 18.343 19.000 -0.033 0.000 0.822 518 A HN 0.813 nan 8.150 nan 0.000 0.444 519 E N -0.536 119.640 120.200 -0.040 0.000 2.216 519 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 519 E C 2.021 178.594 176.600 -0.046 0.000 0.988 519 E CA 0.478 56.847 56.400 -0.051 0.000 0.834 519 E CB -0.322 29.345 29.700 -0.056 0.000 0.772 519 E HN 0.582 nan 8.360 nan 0.000 0.479 520 R N 1.186 121.691 120.500 0.007 0.000 2.103 520 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 520 R C 2.513 178.855 176.300 0.071 0.000 1.142 520 R CA 1.642 57.798 56.100 0.093 0.000 0.960 520 R CB -0.542 29.957 30.300 0.332 0.000 0.858 520 R HN 0.261 nan 8.270 nan 0.000 0.439 521 A N 1.312 124.084 122.820 -0.080 0.000 1.835 521 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 521 A C 2.148 179.676 177.584 -0.094 0.000 1.199 521 A CA 1.590 53.493 52.037 -0.224 0.000 0.615 521 A CB -0.691 18.094 19.000 -0.359 0.000 0.838 521 A HN 0.288 nan 8.150 nan 0.000 0.444 522 R N -0.884 119.566 120.500 -0.083 0.000 2.159 522 R HA -0.217 4.123 4.340 -0.000 0.000 0.252 522 R C 2.108 178.391 176.300 -0.028 0.000 1.144 522 R CA 1.984 58.053 56.100 -0.051 0.000 0.961 522 R CB -0.511 29.759 30.300 -0.050 0.000 0.877 522 R HN 0.450 nan 8.270 nan 0.000 0.444 523 L N 1.445 122.635 121.223 -0.056 0.000 1.963 523 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 523 L C 2.421 179.309 176.870 0.029 0.000 1.076 523 L CA 2.304 57.088 54.840 -0.093 0.000 0.772 523 L CB -1.509 40.403 42.059 -0.246 0.000 0.892 523 L HN 0.478 nan 8.230 nan 0.000 0.435 524 L N -0.127 121.135 121.223 0.064 0.000 1.978 524 L HA -0.154 4.186 4.340 -0.000 0.000 0.218 524 L C 2.615 179.589 176.870 0.173 0.000 1.075 524 L CA 3.066 58.024 54.840 0.197 0.000 0.767 524 L CB -1.696 40.468 42.059 0.175 0.000 0.890 524 L HN 0.214 nan 8.230 nan 0.000 0.434 525 A N -0.058 122.813 122.820 0.086 0.000 1.894 525 A HA -0.350 3.970 4.320 -0.000 0.000 0.220 525 A C 2.196 179.832 177.584 0.087 0.000 1.237 525 A CA 2.581 54.654 52.037 0.061 0.000 0.660 525 A CB -1.240 17.770 19.000 0.016 0.000 0.835 525 A HN 0.749 nan 8.150 nan 0.000 0.461 526 E N -1.126 119.132 120.200 0.096 0.000 2.331 526 E HA -0.148 4.201 4.350 -0.000 0.000 0.199 526 E C 1.184 177.878 176.600 0.157 0.000 1.008 526 E CA 0.569 57.035 56.400 0.110 0.000 0.843 526 E CB -0.015 29.748 29.700 0.105 0.000 0.761 526 E HN 0.400 nan 8.360 nan 0.000 0.507 531 K N 0.623 121.096 120.400 0.122 0.000 2.106 531 K HA 0.823 5.142 4.320 -0.000 0.000 0.246 531 K C -0.402 176.275 176.600 0.128 0.000 0.987 531 K CA -0.783 55.571 56.287 0.113 0.000 0.904 531 K CB 2.018 34.558 32.500 0.068 0.000 1.071 531 K HN 0.368 nan 8.250 nan 0.000 0.453 532 V N 1.641 121.623 119.914 0.114 0.000 2.962 532 V HA 0.381 4.501 4.120 -0.000 0.000 0.313 532 V C -0.804 175.287 176.094 -0.003 0.000 1.099 532 V CA -1.013 61.328 62.300 0.069 0.000 0.971 532 V CB 1.956 33.846 31.823 0.111 0.000 1.028 532 V HN 0.548 nan 8.190 nan 0.000 0.430 533 L N 2.917 124.100 121.223 -0.067 0.000 2.295 533 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 533 L C 0.217 176.998 176.870 -0.149 0.000 1.018 533 L CA -0.536 54.254 54.840 -0.084 0.000 0.841 533 L CB 1.536 43.550 42.059 -0.076 0.000 1.218 533 L HN 0.789 nan 8.230 nan 0.000 0.424 534 A N 5.427 128.156 122.820 -0.153 0.000 2.391 534 A HA 0.518 4.838 4.320 -0.000 0.000 0.316 534 A C 0.379 177.898 177.584 -0.108 0.000 1.381 534 A CA -0.442 51.473 52.037 -0.204 0.000 0.998 534 A CB 0.023 18.903 19.000 -0.200 0.000 1.147 534 A HN 0.797 nan 8.150 nan 0.000 0.545 535 M N 3.835 123.373 119.600 -0.103 0.000 3.596 535 M HA 0.076 4.556 4.480 -0.000 0.000 0.219 535 M C 0.849 177.125 176.300 -0.042 0.000 1.471 535 M CA -0.116 55.149 55.300 -0.059 0.000 1.644 535 M CB -1.006 31.563 32.600 -0.051 0.000 1.083 535 M HN 0.777 nan 8.290 nan 0.000 0.579 536 T N -1.038 113.501 114.554 -0.024 0.000 2.939 536 T HA 0.072 4.422 4.350 -0.000 0.000 0.319 536 T C -1.335 173.365 174.700 -0.000 0.000 1.082 536 T CA -1.052 61.053 62.100 0.008 0.000 1.133 536 T CB 0.292 69.187 68.868 0.044 0.000 1.019 536 T HN 0.367 nan 8.240 nan 0.000 0.548 537 P HA 0.193 nan 4.420 nan 0.000 0.231 537 P C 0.125 177.392 177.300 -0.054 0.000 1.168 537 P CA 0.250 63.335 63.100 -0.026 0.000 0.779 537 P CB 0.154 31.860 31.700 0.010 0.000 0.844 538 A N 0.187 123.010 122.820 0.005 0.000 2.303 538 A HA 0.663 4.983 4.320 -0.000 0.000 0.320 538 A C 0.186 177.826 177.584 0.093 0.000 1.192 538 A CA -0.633 51.435 52.037 0.051 0.000 0.821 538 A CB 0.965 20.008 19.000 0.071 0.000 1.188 538 A HN 0.194 nan 8.150 nan 0.000 0.492 539 A N 2.188 125.142 122.820 0.223 0.000 2.366 539 A HA 0.483 4.803 4.320 -0.000 0.000 0.249 539 A C 0.996 178.525 177.584 -0.092 0.000 1.084 539 A CA 0.541 52.600 52.037 0.036 0.000 0.794 539 A CB -0.324 18.673 19.000 -0.004 0.000 1.034 539 A HN 2.014 nan 8.150 nan 0.000 0.491 540 N N -1.123 117.511 118.700 -0.110 0.000 2.765 540 N HA -0.272 4.468 4.740 -0.000 0.000 0.248 540 N C 0.968 176.362 175.510 -0.193 0.000 1.063 540 N CA 2.354 55.317 53.050 -0.146 0.000 0.862 540 N CB -1.288 37.081 38.487 -0.196 0.000 1.145 540 N HN 1.047 nan 8.380 nan 0.000 0.581 541 A N 0.394 123.129 122.820 -0.141 0.000 1.851 541 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 541 A C 2.005 179.573 177.584 -0.026 0.000 1.195 541 A CA 2.174 54.129 52.037 -0.138 0.000 0.622 541 A CB -0.690 18.376 19.000 0.111 0.000 0.831 541 A HN 0.424 nan 8.150 nan 0.000 0.444 542 R N 0.019 120.550 120.500 0.052 0.000 2.204 542 R HA -0.146 4.194 4.340 -0.000 0.000 0.253 542 R C 1.929 178.287 176.300 0.096 0.000 1.172 542 R CA 1.947 58.114 56.100 0.112 0.000 0.994 542 R CB -1.074 29.279 30.300 0.089 0.000 0.874 542 R HN 0.492 nan 8.270 nan 0.000 0.462 543 G N -0.688 108.106 108.800 -0.008 0.000 2.408 543 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.213 543 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.213 543 G C 1.375 176.230 174.900 -0.076 0.000 1.177 543 G CA 0.348 45.428 45.100 -0.035 0.000 0.802 543 G HN 0.286 nan 8.290 nan 0.000 0.533 544 L N 0.468 121.551 121.223 -0.234 0.000 2.131 544 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 544 L C 2.811 179.749 176.870 0.114 0.000 1.092 544 L CA 1.018 55.673 54.840 -0.307 0.000 0.759 544 L CB -0.418 40.912 42.059 -1.214 0.000 0.903 544 L HN 0.330 nan 8.230 nan 0.000 0.435 545 E N 0.473 120.850 120.200 0.295 0.000 2.110 545 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 545 E C 2.194 179.015 176.600 0.369 0.000 0.988 545 E CA 1.137 57.837 56.400 0.501 0.000 0.804 545 E CB -0.131 29.859 29.700 0.483 0.000 0.745 545 E HN 0.486 nan 8.360 nan 0.000 0.458 546 A N 0.645 123.562 122.820 0.162 0.000 2.172 546 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 546 A C 1.889 179.273 177.584 -0.333 0.000 1.154 546 A CA 0.857 52.667 52.037 -0.379 0.000 0.701 546 A CB -0.059 18.764 19.000 -0.296 0.000 0.789 546 A HN 0.103 nan 8.150 nan 0.000 0.465 547 M N -2.106 117.449 119.600 -0.075 0.000 2.461 547 M HA 0.191 4.671 4.480 -0.000 0.000 0.255 547 M C 1.386 177.706 176.300 0.033 0.000 1.137 547 M CA 0.920 56.196 55.300 -0.040 0.000 1.086 547 M CB -0.599 31.993 32.600 -0.014 0.000 1.356 547 M HN 0.759 nan 8.290 nan 0.000 0.487 548 G N 0.961 109.833 108.800 0.120 0.000 2.149 548 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.235 548 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.235 548 G C 0.310 175.318 174.900 0.180 0.000 1.018 548 G CA 0.159 45.354 45.100 0.158 0.000 0.728 548 G HN 0.324 nan 8.290 nan 0.000 0.508 549 V N 0.429 120.519 119.914 0.294 0.000 3.299 549 V HA 0.324 4.444 4.120 -0.000 0.000 0.369 549 V C 0.703 176.930 176.094 0.222 0.000 1.245 549 V CA 0.460 62.963 62.300 0.339 0.000 1.459 549 V CB -0.668 31.485 31.823 0.550 0.000 1.203 549 V HN 0.340 nan 8.190 nan 0.000 0.451 550 L N 1.712 122.998 121.223 0.106 0.000 2.330 550 L HA 0.499 4.839 4.340 -0.000 0.000 0.271 550 L C -0.822 176.069 176.870 0.035 0.000 1.013 550 L CA -1.930 52.904 54.840 -0.011 0.000 0.816 550 L CB 1.155 43.221 42.059 0.012 0.000 1.287 550 L HN -0.061 nan 8.230 nan 0.000 0.435 551 P HA -0.094 nan 4.420 nan 0.000 0.218 551 P C 0.938 178.283 177.300 0.074 0.000 1.149 551 P CA 1.637 64.782 63.100 0.075 0.000 0.817 551 P CB 0.545 32.292 31.700 0.078 0.000 0.785 552 G N 0.414 109.248 108.800 0.057 0.000 3.274 552 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.313 552 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.313 552 G C 0.840 175.770 174.900 0.050 0.000 1.295 552 G CA 0.986 46.119 45.100 0.055 0.000 1.004 552 G HN 0.685 nan 8.290 nan 0.000 0.614 553 A N 0.370 123.221 122.820 0.053 0.000 3.711 553 A HA 0.741 5.061 4.320 -0.000 0.000 0.185 553 A C 0.843 178.462 177.584 0.058 0.000 1.697 553 A CA 0.995 53.060 52.037 0.047 0.000 1.787 553 A CB -0.170 18.853 19.000 0.039 0.000 1.545 553 A HN 0.863 nan 8.150 nan 0.000 0.553 554 K N -0.441 119.993 120.400 0.057 0.000 2.494 554 K HA 0.391 4.711 4.320 -0.000 0.000 0.273 554 K C 0.270 176.944 176.600 0.124 0.000 0.970 554 K CA 1.006 57.336 56.287 0.071 0.000 0.963 554 K CB -0.177 32.360 32.500 0.061 0.000 0.913 554 K HN 1.308 nan 8.250 nan 0.000 0.502 555 G N -0.535 108.347 108.800 0.138 0.000 2.353 555 G HA2 0.304 4.264 3.960 -0.000 0.000 0.424 555 G HA3 0.304 4.264 3.960 -0.000 0.000 0.424 555 G C -1.809 173.101 174.900 0.017 0.000 1.320 555 G CA -0.553 44.675 45.100 0.214 0.000 0.995 555 G HN 0.717 nan 8.290 nan 0.000 0.580 556 A N -0.368 122.343 122.820 -0.182 0.000 2.340 556 A HA 0.973 5.293 4.320 -0.000 0.000 0.331 556 A C 0.620 178.223 177.584 0.030 0.000 1.140 556 A CA 0.661 52.634 52.037 -0.107 0.000 0.801 556 A CB 1.279 20.201 19.000 -0.130 0.000 1.234 556 A HN 2.343 nan 8.150 nan 0.000 0.469 557 S N 1.465 117.205 115.700 0.067 0.000 2.738 557 S HA 0.415 4.885 4.470 -0.000 0.000 0.284 557 S C 1.265 176.031 174.600 0.277 0.000 1.146 557 S CA -0.122 58.193 58.200 0.193 0.000 0.997 557 S CB 0.312 63.520 63.200 0.014 0.000 1.081 557 S HN 1.238 nan 8.310 nan 0.000 0.553 558 W N 1.838 123.326 121.300 0.313 0.000 2.305 558 W HA -0.202 4.458 4.660 -0.000 0.000 0.308 558 W C 0.717 177.199 176.519 -0.061 0.000 1.226 558 W CA 2.060 59.526 57.345 0.201 0.000 1.253 558 W CB -1.074 28.587 29.460 0.335 0.000 1.146 558 W HN 0.839 nan 8.180 nan 0.000 0.507 559 D N 0.204 120.218 120.400 -0.643 0.000 2.349 559 D HA -0.026 4.614 4.640 -0.000 0.000 0.214 559 D C 0.009 176.003 176.300 -0.509 0.000 1.063 559 D CA 0.032 53.613 54.000 -0.697 0.000 0.847 559 D CB -0.400 39.664 40.800 -1.226 0.000 0.933 559 D HN 0.341 nan 8.370 nan 0.000 0.513 560 E N 2.326 122.298 120.200 -0.381 0.000 2.028 560 E HA 0.233 4.583 4.350 -0.000 0.000 0.266 560 E C -2.393 174.097 176.600 -0.184 0.000 0.962 560 E CA -2.170 54.075 56.400 -0.260 0.000 0.784 560 E CB 1.454 31.034 29.700 -0.201 0.000 1.114 560 E HN 0.076 nan 8.360 nan 0.000 0.414 561 P HA 0.314 nan 4.420 nan 0.000 0.279 561 P C 0.365 177.602 177.300 -0.105 0.000 1.276 561 P CA 0.237 63.250 63.100 -0.145 0.000 0.801 561 P CB 1.792 33.394 31.700 -0.162 0.000 1.127 562 G N -1.407 107.346 108.800 -0.080 0.000 4.172 562 G HA2 0.050 4.010 3.960 -0.000 0.000 0.204 562 G HA3 0.050 4.010 3.960 -0.000 0.000 0.204 562 G C 0.382 175.263 174.900 -0.032 0.000 1.256 562 G CA 0.349 45.415 45.100 -0.058 0.000 0.886 562 G HN 0.759 nan 8.290 nan 0.000 0.344 563 A N 0.252 123.060 122.820 -0.020 0.000 2.433 563 A HA 0.599 4.919 4.320 -0.000 0.000 0.250 563 A C -0.164 177.429 177.584 0.014 0.000 1.113 563 A CA 0.891 52.971 52.037 0.072 0.000 0.794 563 A CB 0.400 19.467 19.000 0.111 0.000 1.067 563 A HN 1.325 nan 8.150 nan 0.000 0.510 564 L N -1.166 120.071 121.223 0.023 0.000 2.381 564 L HA 0.624 4.964 4.340 -0.000 0.000 0.268 564 L C -1.515 175.322 176.870 -0.054 0.000 0.997 564 L CA -0.222 54.513 54.840 -0.175 0.000 0.818 564 L CB 1.018 42.861 42.059 -0.360 0.000 1.310 564 L HN 0.720 nan 8.230 nan 0.000 0.416 565 Y N 1.704 122.030 120.300 0.044 0.000 2.809 565 Y HA 0.097 4.647 4.550 -0.000 0.000 0.077 565 Y C 0.058 175.960 175.900 0.004 0.000 1.945 565 Y CA 0.737 58.878 58.100 0.068 0.000 1.154 565 Y CB -1.802 36.751 38.460 0.154 0.000 1.808 565 Y HN 0.807 nan 8.280 nan 0.000 0.303 566 A N 2.070 124.874 122.820 -0.026 0.000 2.435 566 A HA 0.874 5.194 4.320 -0.000 0.000 0.296 566 A C -1.725 175.746 177.584 -0.189 0.000 1.147 566 A CA -0.933 51.035 52.037 -0.114 0.000 0.775 566 A CB 1.672 20.485 19.000 -0.311 0.000 1.340 566 A HN 0.779 nan 8.150 nan 0.000 0.427 567 Y N 0.800 120.984 120.300 -0.192 0.000 2.345 567 Y HA 0.654 5.204 4.550 -0.000 0.000 0.331 567 Y C -2.021 173.867 175.900 -0.019 0.000 0.959 567 Y CA -1.081 56.959 58.100 -0.100 0.000 1.204 567 Y CB 0.886 39.359 38.460 0.021 0.000 1.135 567 Y HN 0.501 nan 8.280 nan 0.000 0.477 568 Y N 4.163 124.038 120.300 -0.708 0.000 2.342 568 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 568 Y C 0.900 176.303 175.900 -0.830 0.000 0.965 568 Y CA -1.383 56.275 58.100 -0.737 0.000 1.159 568 Y CB 2.196 40.266 38.460 -0.650 0.000 1.157 568 Y HN 0.869 nan 8.280 nan 0.000 0.486 569 G N 3.717 112.281 108.800 -0.394 0.000 3.448 569 G HA2 0.358 4.318 3.960 -0.000 0.000 0.261 569 G HA3 0.358 4.318 3.960 -0.000 0.000 0.261 569 G C -0.565 174.439 174.900 0.173 0.000 1.173 569 G CA 0.065 45.143 45.100 -0.037 0.000 0.835 569 G HN 0.473 nan 8.290 nan 0.000 0.534 570 F N -3.404 116.518 119.950 -0.047 0.000 2.769 570 F HA 0.482 5.009 4.527 -0.000 0.000 0.313 570 F C -1.159 174.535 175.800 -0.176 0.000 1.146 570 F CA -1.724 56.228 58.000 -0.080 0.000 0.934 570 F CB 0.827 39.775 39.000 -0.087 0.000 1.283 570 F HN -0.192 nan 8.300 nan 0.000 0.443 571 V N 3.391 123.230 119.914 -0.125 0.000 2.415 571 V HA 0.303 4.423 4.120 -0.000 0.000 0.267 571 V C -1.922 174.008 176.094 -0.274 0.000 1.042 571 V CA -0.850 61.257 62.300 -0.321 0.000 1.000 571 V CB 0.070 31.724 31.823 -0.283 0.000 1.015 571 V HN 0.628 nan 8.190 nan 0.000 0.478 572 P HA 0.357 nan 4.420 nan 0.000 0.293 572 P C -2.639 174.435 177.300 -0.376 0.000 1.304 572 P CA -1.644 61.194 63.100 -0.436 0.000 0.767 572 P CB -0.087 30.986 31.700 -1.045 0.000 1.247 573 P HA 0.045 nan 4.420 nan 0.000 0.276 573 P C 0.631 177.664 177.300 -0.444 0.000 1.230 573 P CA 0.098 62.908 63.100 -0.482 0.000 0.776 573 P CB 0.847 32.090 31.700 -0.762 0.000 0.888 574 E N 2.553 122.516 120.200 -0.395 0.000 2.164 574 E HA -0.282 4.068 4.350 -0.000 0.000 0.206 574 E C 1.139 177.478 176.600 -0.435 0.000 1.032 574 E CA 1.562 57.688 56.400 -0.456 0.000 0.832 574 E CB -0.041 29.442 29.700 -0.361 0.000 0.742 574 E HN 0.378 nan 8.360 nan 0.000 0.460 575 E N -0.453 119.540 120.200 -0.344 0.000 2.393 575 E HA -0.191 4.159 4.350 -0.000 0.000 0.201 575 E C 1.606 178.044 176.600 -0.270 0.000 1.025 575 E CA 0.971 57.205 56.400 -0.278 0.000 0.856 575 E CB -0.120 29.424 29.700 -0.260 0.000 0.771 575 E HN 0.453 nan 8.360 nan 0.000 0.526 576 A N 0.138 122.766 122.820 -0.321 0.000 2.095 576 A HA 0.023 4.343 4.320 -0.000 0.000 0.212 576 A C 1.988 179.462 177.584 -0.184 0.000 1.162 576 A CA 0.148 52.028 52.037 -0.261 0.000 0.753 576 A CB 0.130 18.926 19.000 -0.339 0.000 0.840 576 A HN 0.075 nan 8.150 nan 0.000 0.468 577 L N 0.034 121.095 121.223 -0.270 0.000 2.162 577 L HA 0.112 4.452 4.340 -0.000 0.000 0.205 577 L C 0.750 177.563 176.870 -0.095 0.000 1.086 577 L CA 1.096 55.826 54.840 -0.183 0.000 0.778 577 L CB -1.256 40.597 42.059 -0.344 0.000 0.928 577 L HN 0.295 nan 8.230 nan 0.000 0.446 578 K N -0.230 120.077 120.400 -0.155 0.000 2.436 578 K HA 0.272 4.592 4.320 -0.000 0.000 0.275 578 K C 1.193 177.778 176.600 -0.023 0.000 0.999 578 K CA 0.708 56.993 56.287 -0.003 0.000 0.980 578 K CB 0.346 32.829 32.500 -0.028 0.000 0.919 578 K HN 0.288 nan 8.250 nan 0.000 0.484 579 G N 2.153 110.959 108.800 0.009 0.000 2.336 579 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.233 579 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.233 579 G C -0.028 174.845 174.900 -0.046 0.000 1.053 579 G CA -0.096 44.990 45.100 -0.022 0.000 0.625 579 G HN 0.534 nan 8.290 nan 0.000 0.511 580 K N 0.754 121.117 120.400 -0.063 0.000 2.295 580 K HA 0.458 4.778 4.320 -0.000 0.000 0.270 580 K C 1.551 178.082 176.600 -0.116 0.000 1.011 580 K CA -0.329 55.888 56.287 -0.117 0.000 0.953 580 K CB 0.732 33.150 32.500 -0.136 0.000 0.956 580 K HN 0.309 nan 8.250 nan 0.000 0.477 581 R N 0.820 121.213 120.500 -0.178 0.000 2.048 581 R HA 0.023 4.363 4.340 -0.000 0.000 0.224 581 R C 0.354 176.653 176.300 -0.002 0.000 1.163 581 R CA 0.915 56.973 56.100 -0.070 0.000 0.956 581 R CB -0.002 30.208 30.300 -0.150 0.000 0.849 581 R HN 0.418 nan 8.270 nan 0.000 0.435 582 F N 1.382 121.237 119.950 -0.157 0.000 2.482 582 F HA 0.405 4.932 4.527 -0.000 0.000 0.331 582 F C -0.881 174.805 175.800 -0.190 0.000 1.115 582 F CA -1.632 56.275 58.000 -0.155 0.000 0.955 582 F CB 1.601 40.804 39.000 0.339 0.000 1.136 582 F HN -0.202 nan 8.300 nan 0.000 0.452 583 V N 5.103 124.447 119.914 -0.949 0.000 2.569 583 V HA 0.734 4.854 4.120 -0.000 0.000 0.301 583 V C -1.313 174.409 176.094 -0.620 0.000 1.044 583 V CA -0.934 60.950 62.300 -0.692 0.000 0.874 583 V CB 0.906 32.509 31.823 -0.368 0.000 1.002 583 V HN 0.816 nan 8.190 nan 0.000 0.424 584 V N 2.705 122.315 119.914 -0.506 0.000 2.347 584 V HA 0.686 4.806 4.120 -0.000 0.000 0.280 584 V C -0.074 175.973 176.094 -0.079 0.000 1.021 584 V CA -0.615 61.553 62.300 -0.221 0.000 0.847 584 V CB 1.183 32.960 31.823 -0.075 0.000 0.990 584 V HN 0.928 nan 8.190 nan 0.000 0.444 585 M N 4.272 123.863 119.600 -0.016 0.000 2.129 585 M HA 0.412 4.892 4.480 -0.000 0.000 0.348 585 M C 0.094 176.481 176.300 0.145 0.000 1.116 585 M CA -0.246 55.060 55.300 0.009 0.000 1.022 585 M CB 1.263 33.870 32.600 0.011 0.000 1.599 585 M HN 0.853 nan 8.290 nan 0.000 0.449 586 H N 4.024 123.116 119.070 0.036 0.000 2.595 586 H HA 0.386 4.942 4.556 -0.000 0.000 0.264 586 H C -0.535 174.897 175.328 0.173 0.000 1.503 586 H CA -0.477 55.699 56.048 0.212 0.000 1.142 586 H CB 0.361 30.408 29.762 0.475 0.000 1.554 586 H HN 0.607 nan 8.280 nan 0.000 0.501 587 L N 0.735 122.094 121.223 0.227 0.000 2.472 587 L HA 0.013 4.353 4.340 -0.000 0.000 0.260 587 L C 1.276 178.280 176.870 0.223 0.000 1.209 587 L CA 0.256 55.203 54.840 0.179 0.000 0.817 587 L CB 0.940 43.100 42.059 0.168 0.000 1.106 587 L HN 0.428 nan 8.230 nan 0.000 0.479 588 S N -1.562 114.302 115.700 0.275 0.000 2.559 588 S HA 0.238 4.708 4.470 -0.000 0.000 0.226 588 S C 0.155 175.096 174.600 0.568 0.000 1.000 588 S CA -0.432 57.995 58.200 0.377 0.000 0.948 588 S CB 0.111 63.552 63.200 0.401 0.000 0.870 588 S HN 0.736 nan 8.310 nan 0.000 0.497 589 H N -0.358 118.819 119.070 0.180 0.000 3.038 589 H HA 0.679 5.235 4.556 -0.000 0.000 0.289 589 H C -1.565 173.854 175.328 0.151 0.000 1.510 589 H CA -1.070 55.082 56.048 0.173 0.000 1.227 589 H CB 0.681 30.564 29.762 0.200 0.000 1.880 589 H HN 0.129 nan 8.280 nan 0.000 0.594 590 L N 2.230 123.606 121.223 0.255 0.000 2.435 590 L HA 0.241 4.581 4.340 -0.000 0.000 0.253 590 L C -0.782 176.206 176.870 0.196 0.000 1.087 590 L CA -0.338 54.614 54.840 0.187 0.000 0.950 590 L CB -0.685 41.445 42.059 0.119 0.000 1.304 590 L HN 0.569 nan 8.230 nan 0.000 0.453 591 H N 4.430 123.571 119.070 0.117 0.000 2.732 591 H HA 0.249 4.805 4.556 -0.000 0.000 0.351 591 H C -1.956 173.418 175.328 0.078 0.000 1.090 591 H CA -1.692 54.409 56.048 0.089 0.000 1.431 591 H CB 1.553 31.354 29.762 0.065 0.000 1.447 591 H HN 0.349 nan 8.280 nan 0.000 0.582 592 P HA -0.200 nan 4.420 nan 0.000 0.215 592 P C 2.019 179.517 177.300 0.331 0.000 1.157 592 P CA 0.863 64.136 63.100 0.288 0.000 0.874 592 P CB 0.298 32.111 31.700 0.189 0.000 0.790 593 L N -1.273 120.199 121.223 0.415 0.000 2.197 593 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 593 L C 2.154 179.121 176.870 0.161 0.000 1.095 593 L CA 2.320 57.252 54.840 0.153 0.000 0.764 593 L CB -1.581 40.305 42.059 -0.289 0.000 0.897 593 L HN 0.017 nan 8.230 nan 0.000 0.436 594 A N 0.450 123.343 122.820 0.122 0.000 1.930 594 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 594 A C 1.817 179.477 177.584 0.127 0.000 1.176 594 A CA 0.877 52.978 52.037 0.107 0.000 0.632 594 A CB -0.314 18.746 19.000 0.100 0.000 0.819 594 A HN 0.624 nan 8.150 nan 0.000 0.445 595 E N -0.802 119.477 120.200 0.132 0.000 2.365 595 E HA 0.125 4.475 4.350 -0.000 0.000 0.188 595 E C 0.745 177.383 176.600 0.063 0.000 1.102 595 E CA -0.025 56.431 56.400 0.093 0.000 0.927 595 E CB -0.028 29.722 29.700 0.084 0.000 1.073 595 E HN 0.569 nan 8.360 nan 0.000 0.467 596 R N -1.337 119.206 120.500 0.072 0.000 2.532 596 R HA 0.168 4.508 4.340 -0.000 0.000 0.312 596 R C 0.005 176.136 176.300 -0.282 0.000 0.923 596 R CA 0.061 56.114 56.100 -0.080 0.000 1.115 596 R CB 0.529 30.786 30.300 -0.073 0.000 1.703 596 R HN 0.139 nan 8.270 nan 0.000 0.498 597 Y N -0.538 119.787 120.300 0.042 0.000 2.459 597 Y HA 0.452 5.002 4.550 -0.000 0.000 0.271 597 Y C 0.538 176.478 175.900 0.067 0.000 1.063 597 Y CA -0.399 57.725 58.100 0.040 0.000 1.216 597 Y CB 1.123 39.573 38.460 -0.017 0.000 1.335 597 Y HN -0.031 nan 8.280 nan 0.000 0.550 598 A N -0.199 122.743 122.820 0.203 0.000 2.316 598 A HA 0.354 4.674 4.320 -0.000 0.000 0.284 598 A C 0.204 177.953 177.584 0.275 0.000 1.115 598 A CA -0.170 51.958 52.037 0.152 0.000 0.812 598 A CB 0.319 19.373 19.000 0.089 0.000 1.064 598 A HN 0.566 nan 8.150 nan 0.000 0.489 599 H N 0.108 119.191 119.070 0.022 0.000 2.516 599 H HA 0.290 4.846 4.556 -0.000 0.000 0.284 599 H C -0.608 174.797 175.328 0.127 0.000 0.999 599 H CA 0.519 56.642 56.048 0.125 0.000 1.303 599 H CB 0.859 30.817 29.762 0.325 0.000 1.452 599 H HN 0.322 nan 8.280 nan 0.000 0.530 600 V N 1.918 121.933 119.914 0.168 0.000 2.711 600 V HA 0.200 4.320 4.120 -0.000 0.000 0.304 600 V C -0.704 175.416 176.094 0.045 0.000 1.097 600 V CA -0.758 61.608 62.300 0.111 0.000 0.906 600 V CB 2.671 34.596 31.823 0.170 0.000 1.015 600 V HN -0.088 nan 8.190 nan 0.000 0.427 601 V N 5.837 125.770 119.914 0.032 0.000 2.581 601 V HA 0.653 4.773 4.120 -0.000 0.000 0.303 601 V C -0.715 175.378 176.094 -0.001 0.000 1.041 601 V CA -0.663 61.664 62.300 0.045 0.000 0.907 601 V CB 1.900 33.762 31.823 0.065 0.000 0.994 601 V HN 0.683 nan 8.190 nan 0.000 0.442 602 L N 5.970 127.241 121.223 0.080 0.000 2.446 602 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 602 L C -2.518 174.568 176.870 0.361 0.000 0.975 602 L CA -1.462 53.410 54.840 0.053 0.000 0.848 602 L CB 2.284 44.290 42.059 -0.089 0.000 1.225 602 L HN 0.418 nan 8.230 nan 0.000 0.410 603 P HA 0.039 nan 4.420 nan 0.000 0.260 603 P C -0.623 176.955 177.300 0.463 0.000 1.172 603 P CA 0.302 63.612 63.100 0.351 0.000 0.760 603 P CB 1.022 32.893 31.700 0.285 0.000 0.773 604 A N 6.140 129.151 122.820 0.317 0.000 2.313 604 A HA 0.866 5.186 4.320 -0.000 0.000 0.323 604 A C -2.487 175.180 177.584 0.138 0.000 1.133 604 A CA -1.858 50.273 52.037 0.155 0.000 0.847 604 A CB 0.910 19.711 19.000 -0.331 0.000 1.308 604 A HN 0.375 nan 8.150 nan 0.000 0.475 605 P HA 0.370 nan 4.420 nan 0.000 0.285 605 P C -0.305 177.051 177.300 0.092 0.000 1.269 605 P CA -0.070 63.083 63.100 0.089 0.000 0.844 605 P CB 1.336 33.078 31.700 0.068 0.000 1.094 606 T N -1.387 113.209 114.554 0.070 0.000 2.899 606 T HA 0.238 4.588 4.350 -0.000 0.000 0.284 606 T C 1.298 175.988 174.700 -0.016 0.000 1.004 606 T CA -0.554 61.574 62.100 0.047 0.000 1.043 606 T CB -0.005 68.804 68.868 -0.098 0.000 1.013 606 T HN 0.380 nan 8.240 nan 0.000 0.518 607 F N -0.398 119.559 119.950 0.012 0.000 2.287 607 F HA -0.039 4.488 4.527 -0.000 0.000 0.301 607 F C 1.612 177.346 175.800 -0.109 0.000 1.069 607 F CA 0.416 58.363 58.000 -0.087 0.000 1.372 607 F CB -1.358 37.544 39.000 -0.162 0.000 1.056 607 F HN 0.526 nan 8.300 nan 0.000 0.523 608 Y N 1.791 121.788 120.300 -0.506 0.000 2.352 608 Y HA -0.096 4.454 4.550 -0.000 0.000 0.292 608 Y C 2.009 177.833 175.900 -0.126 0.000 1.136 608 Y CA 1.397 59.295 58.100 -0.336 0.000 1.227 608 Y CB -0.604 37.555 38.460 -0.500 0.000 0.991 608 Y HN 0.434 nan 8.280 nan 0.000 0.545 609 E N -0.513 119.702 120.200 0.025 0.000 2.651 609 E HA 0.180 4.530 4.350 -0.000 0.000 0.208 609 E C -0.243 176.370 176.600 0.022 0.000 0.997 609 E CA -0.153 56.260 56.400 0.023 0.000 1.020 609 E CB 0.208 29.911 29.700 0.004 0.000 1.052 609 E HN 0.194 nan 8.360 nan 0.000 0.465 610 K N 1.357 121.780 120.400 0.037 0.000 2.139 610 K HA 0.429 4.749 4.320 -0.000 0.000 0.243 610 K C -0.325 176.271 176.600 -0.007 0.000 0.983 610 K CA -0.810 55.491 56.287 0.023 0.000 0.890 610 K CB 2.156 34.686 32.500 0.049 0.000 1.090 610 K HN -0.057 nan 8.250 nan 0.000 0.445 611 R N 0.218 120.679 120.500 -0.066 0.000 2.514 611 R HA 0.559 4.899 4.340 -0.000 0.000 0.301 611 R C -0.681 175.513 176.300 -0.176 0.000 0.962 611 R CA -0.200 55.798 56.100 -0.169 0.000 0.882 611 R CB 1.434 31.542 30.300 -0.321 0.000 1.143 611 R HN 0.879 nan 8.270 nan 0.000 0.452 612 G N 1.810 110.535 108.800 -0.124 0.000 2.368 612 G HA2 0.049 4.009 3.960 -0.000 0.000 0.302 612 G HA3 0.049 4.009 3.960 -0.000 0.000 0.302 612 G C -1.790 173.197 174.900 0.145 0.000 1.329 612 G CA -0.907 44.183 45.100 -0.018 0.000 0.935 612 G HN 0.700 nan 8.290 nan 0.000 0.590 613 H N -1.427 117.690 119.070 0.078 0.000 2.595 613 H HA 0.786 5.342 4.556 -0.000 0.000 0.346 613 H C -0.675 174.650 175.328 -0.005 0.000 1.181 613 H CA -0.784 55.286 56.048 0.038 0.000 1.242 613 H CB 2.148 31.939 29.762 0.048 0.000 1.652 613 H HN 0.387 nan 8.280 nan 0.000 0.548 614 L N 1.079 122.364 121.223 0.102 0.000 2.393 614 L HA 0.335 4.675 4.340 -0.000 0.000 0.260 614 L C -1.241 175.620 176.870 -0.015 0.000 1.002 614 L CA -0.728 54.115 54.840 0.004 0.000 0.818 614 L CB 2.482 44.516 42.059 -0.043 0.000 1.369 614 L HN 0.378 nan 8.230 nan 0.000 0.412 615 V N 3.469 123.364 119.914 -0.031 0.000 2.304 615 V HA 0.383 4.503 4.120 -0.000 0.000 0.278 615 V C 0.325 176.406 176.094 -0.022 0.000 1.018 615 V CA -0.940 61.349 62.300 -0.018 0.000 0.814 615 V CB 0.924 32.746 31.823 -0.002 0.000 1.021 615 V HN 0.773 nan 8.190 nan 0.000 0.440 616 N N 3.138 121.826 118.700 -0.020 0.000 2.273 616 N HA -0.002 4.738 4.740 -0.000 0.000 0.227 616 N C 1.257 176.765 175.510 -0.003 0.000 1.292 616 N CA 0.164 53.202 53.050 -0.019 0.000 0.875 616 N CB 0.986 39.463 38.487 -0.016 0.000 1.105 616 N HN 0.782 nan 8.380 nan 0.000 0.434 617 L N 0.213 121.432 121.223 -0.006 0.000 2.622 617 L HA 0.061 4.401 4.340 -0.000 0.000 0.233 617 L C 0.987 177.862 176.870 0.009 0.000 1.156 617 L CA 1.011 55.853 54.840 0.002 0.000 0.866 617 L CB -0.206 41.846 42.059 -0.010 0.000 0.980 617 L HN 0.628 nan 8.230 nan 0.000 0.448 618 E N -0.709 119.497 120.200 0.010 0.000 2.569 618 E HA 0.282 4.632 4.350 -0.000 0.000 0.205 618 E C 1.055 177.672 176.600 0.028 0.000 1.006 618 E CA 0.073 56.483 56.400 0.016 0.000 0.985 618 E CB 0.397 30.101 29.700 0.007 0.000 1.060 618 E HN 0.314 nan 8.360 nan 0.000 0.460 619 G N 2.098 110.919 108.800 0.036 0.000 2.179 619 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.257 619 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.257 619 G C 0.117 175.035 174.900 0.030 0.000 1.010 619 G CA 0.563 45.692 45.100 0.049 0.000 0.736 619 G HN 0.382 nan 8.290 nan 0.000 0.513 620 R N -0.165 120.342 120.500 0.012 0.000 2.404 620 R HA 0.522 4.862 4.340 -0.000 0.000 0.291 620 R C 0.710 177.000 176.300 -0.018 0.000 1.025 620 R CA -0.109 55.989 56.100 -0.003 0.000 0.991 620 R CB 0.998 31.293 30.300 -0.008 0.000 1.053 620 R HN 0.487 nan 8.270 nan 0.000 0.479 621 V N 4.070 123.963 119.914 -0.034 0.000 2.339 621 V HA 0.370 4.490 4.120 -0.000 0.000 0.261 621 V C -0.132 175.901 176.094 -0.102 0.000 1.058 621 V CA -0.662 61.599 62.300 -0.065 0.000 0.897 621 V CB 0.435 32.206 31.823 -0.087 0.000 1.052 621 V HN 0.522 nan 8.190 nan 0.000 0.480 622 L N 7.658 128.834 121.223 -0.079 0.000 2.309 622 L HA 0.612 4.952 4.340 -0.000 0.000 0.282 622 L C -1.880 174.951 176.870 -0.065 0.000 1.036 622 L CA -1.855 52.942 54.840 -0.072 0.000 0.806 622 L CB 2.425 44.457 42.059 -0.046 0.000 1.220 622 L HN 0.408 nan 8.230 nan 0.000 0.429 623 P HA 0.329 nan 4.420 nan 0.000 0.279 623 P C -1.183 176.169 177.300 0.087 0.000 1.282 623 P CA -0.468 62.663 63.100 0.051 0.000 0.788 623 P CB 1.808 33.529 31.700 0.035 0.000 1.139 624 L N -0.187 121.115 121.223 0.131 0.000 2.562 624 L HA 0.300 4.640 4.340 -0.000 0.000 0.266 624 L C -0.478 176.430 176.870 0.064 0.000 0.949 624 L CA -0.113 54.781 54.840 0.089 0.000 0.879 624 L CB 2.036 44.143 42.059 0.080 0.000 1.278 624 L HN 0.340 nan 8.230 nan 0.000 0.404 625 S N 3.765 119.499 115.700 0.058 0.000 2.621 625 S HA 0.695 5.165 4.470 -0.000 0.000 0.302 625 S C -2.685 171.934 174.600 0.031 0.000 1.093 625 S CA -1.117 57.099 58.200 0.027 0.000 1.017 625 S CB 2.231 65.451 63.200 0.033 0.000 1.077 625 S HN 0.375 nan 8.310 nan 0.000 0.517 626 P HA 0.487 nan 4.420 nan 0.000 0.288 626 P C -1.686 175.619 177.300 0.009 0.000 1.267 626 P CA -0.517 62.587 63.100 0.006 0.000 0.815 626 P CB 1.201 32.889 31.700 -0.020 0.000 0.989 627 A N 4.238 127.064 122.820 0.010 0.000 2.330 627 A HA 0.583 4.903 4.320 -0.000 0.000 0.327 627 A C -2.196 175.374 177.584 -0.023 0.000 1.155 627 A CA -1.974 50.058 52.037 -0.008 0.000 0.803 627 A CB 0.266 19.256 19.000 -0.016 0.000 1.208 627 A HN 0.296 nan 8.150 nan 0.000 0.477 628 P HA 0.054 nan 4.420 nan 0.000 0.290 628 P C -0.449 176.827 177.300 -0.040 0.000 1.584 628 P CA 0.441 63.524 63.100 -0.029 0.000 0.813 628 P CB -0.616 31.068 31.700 -0.026 0.000 1.775 629 I N 0.070 120.612 120.570 -0.047 0.000 2.638 629 I HA 0.057 4.227 4.170 -0.000 0.000 0.286 629 I C 1.119 177.213 176.117 -0.038 0.000 1.088 629 I CA -0.427 60.837 61.300 -0.061 0.000 1.397 629 I CB 0.620 38.570 38.000 -0.082 0.000 1.414 629 I HN -0.072 nan 8.210 nan 0.000 0.566 630 E N 5.933 126.111 120.200 -0.037 0.000 2.001 630 E HA 0.135 4.485 4.350 -0.000 0.000 0.279 630 E C -0.895 175.699 176.600 -0.010 0.000 1.045 630 E CA -0.529 55.860 56.400 -0.019 0.000 0.833 630 E CB 0.134 29.823 29.700 -0.018 0.000 1.077 630 E HN 0.528 nan 8.360 nan 0.000 0.397 631 N N 1.883 120.587 118.700 0.006 0.000 2.518 631 N HA 0.364 5.104 4.740 -0.000 0.000 0.284 631 N C 0.683 176.218 175.510 0.042 0.000 1.230 631 N CA -0.654 52.413 53.050 0.027 0.000 0.941 631 N CB 0.636 39.148 38.487 0.043 0.000 1.219 631 N HN 0.283 nan 8.380 nan 0.000 0.560 632 G N -0.732 108.110 108.800 0.071 0.000 3.318 632 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.230 632 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.230 632 G C -0.075 174.884 174.900 0.098 0.000 1.317 632 G CA -0.232 44.921 45.100 0.088 0.000 1.197 632 G HN 0.622 nan 8.290 nan 0.000 0.514 633 E N -1.159 119.078 120.200 0.062 0.000 2.282 633 E HA -0.260 4.090 4.350 -0.000 0.000 0.228 633 E C 0.844 177.459 176.600 0.026 0.000 1.314 633 E CA 0.937 57.355 56.400 0.031 0.000 0.716 633 E CB -1.538 28.169 29.700 0.011 0.000 1.167 633 E HN 0.637 nan 8.360 nan 0.000 0.372 634 A N 1.402 124.287 122.820 0.109 0.000 2.478 634 A HA 0.337 4.657 4.320 -0.000 0.000 0.327 634 A C 0.399 178.040 177.584 0.096 0.000 1.431 634 A CA -0.352 51.798 52.037 0.187 0.000 1.014 634 A CB 0.298 19.594 19.000 0.494 0.000 1.143 634 A HN 0.107 nan 8.150 nan 0.000 0.532 635 E N 0.702 120.770 120.200 -0.220 0.000 3.170 635 E HA -0.035 4.315 4.350 -0.000 0.000 0.318 635 E C 1.246 177.894 176.600 0.079 0.000 1.031 635 E CA 1.744 58.027 56.400 -0.194 0.000 1.050 635 E CB 0.310 29.699 29.700 -0.518 0.000 1.169 635 E HN 0.829 nan 8.360 nan 0.000 0.467 636 G N -0.215 108.632 108.800 0.079 0.000 2.494 636 G HA2 0.417 4.377 3.960 -0.000 0.000 0.270 636 G HA3 0.417 4.377 3.960 -0.000 0.000 0.270 636 G C 0.487 175.615 174.900 0.381 0.000 1.423 636 G CA 0.019 45.238 45.100 0.199 0.000 1.055 636 G HN 0.582 nan 8.290 nan 0.000 0.536 637 A N -1.477 121.581 122.820 0.398 0.000 2.081 637 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 637 A C 2.211 179.887 177.584 0.154 0.000 1.158 637 A CA 0.772 53.075 52.037 0.443 0.000 0.724 637 A CB -0.352 18.896 19.000 0.413 0.000 0.826 637 A HN 0.451 nan 8.150 nan 0.000 0.463 638 L N -0.489 120.803 121.223 0.115 0.000 2.042 638 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 638 L C 2.463 179.356 176.870 0.039 0.000 1.076 638 L CA 2.368 57.251 54.840 0.071 0.000 0.749 638 L CB -0.454 41.660 42.059 0.091 0.000 0.893 638 L HN 0.446 nan 8.230 nan 0.000 0.432 639 Q N -1.376 118.435 119.800 0.019 0.000 2.020 639 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 639 Q C 2.167 178.152 176.000 -0.025 0.000 0.974 639 Q CA 1.979 57.761 55.803 -0.036 0.000 0.829 639 Q CB -0.326 28.338 28.738 -0.124 0.000 0.894 639 Q HN 0.365 nan 8.270 nan 0.000 0.433 640 V N 0.568 120.481 119.914 -0.001 0.000 2.233 640 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 640 V C 2.303 178.326 176.094 -0.117 0.000 1.050 640 V CA 1.877 64.161 62.300 -0.026 0.000 1.010 640 V CB -0.730 30.974 31.823 -0.198 0.000 0.637 640 V HN 0.396 nan 8.190 nan 0.000 0.444 641 L N -0.117 120.995 121.223 -0.186 0.000 1.978 641 L HA -0.293 4.047 4.340 -0.000 0.000 0.218 641 L C 2.774 179.587 176.870 -0.095 0.000 1.075 641 L CA 2.079 56.786 54.840 -0.222 0.000 0.767 641 L CB -0.910 41.037 42.059 -0.185 0.000 0.890 641 L HN 0.418 nan 8.230 nan 0.000 0.434 642 A N -0.496 122.296 122.820 -0.046 0.000 1.927 642 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 642 A C 2.138 179.718 177.584 -0.007 0.000 1.185 642 A CA 2.183 54.218 52.037 -0.005 0.000 0.639 642 A CB -0.737 18.271 19.000 0.014 0.000 0.820 642 A HN 0.375 nan 8.150 nan 0.000 0.451 643 L N -0.644 120.567 121.223 -0.021 0.000 1.973 643 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 643 L C 2.323 179.259 176.870 0.111 0.000 1.073 643 L CA 2.147 56.975 54.840 -0.021 0.000 0.746 643 L CB -0.667 41.389 42.059 -0.006 0.000 0.891 643 L HN 0.458 nan 8.230 nan 0.000 0.433 644 L N -0.506 120.773 121.223 0.094 0.000 2.351 644 L HA -0.175 4.164 4.340 -0.000 0.000 0.220 644 L C 2.179 179.110 176.870 0.101 0.000 1.127 644 L CA 1.399 56.314 54.840 0.126 0.000 0.786 644 L CB -0.377 41.706 42.059 0.039 0.000 0.914 644 L HN 0.381 nan 8.230 nan 0.000 0.443 645 A N -0.819 122.039 122.820 0.063 0.000 2.014 645 A HA -0.120 4.199 4.320 -0.000 0.000 0.218 645 A C 2.147 179.784 177.584 0.088 0.000 1.163 645 A CA 1.081 53.149 52.037 0.053 0.000 0.652 645 A CB -0.327 18.690 19.000 0.028 0.000 0.808 645 A HN 0.518 nan 8.150 nan 0.000 0.449 646 E N 0.124 120.410 120.200 0.143 0.000 2.017 646 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 646 E C 2.392 179.097 176.600 0.174 0.000 0.997 646 E CA 1.241 57.760 56.400 0.198 0.000 0.804 646 E CB -0.470 29.447 29.700 0.360 0.000 0.757 646 E HN 0.538 nan 8.360 nan 0.000 0.448 647 A N 1.147 124.086 122.820 0.198 0.000 2.042 647 A HA -0.189 4.131 4.320 -0.000 0.000 0.222 647 A C 2.231 179.824 177.584 0.016 0.000 1.167 647 A CA 1.314 53.383 52.037 0.053 0.000 0.649 647 A CB -0.546 18.481 19.000 0.045 0.000 0.809 647 A HN 0.179 nan 8.150 nan 0.000 0.457 648 L N -3.339 117.907 121.223 0.039 0.000 2.298 648 L HA 0.303 4.643 4.340 -0.000 0.000 0.209 648 L C 1.782 178.660 176.870 0.013 0.000 1.084 648 L CA 0.693 55.540 54.840 0.012 0.000 0.816 648 L CB -0.230 41.840 42.059 0.018 0.000 0.967 648 L HN 0.604 nan 8.230 nan 0.000 0.460 649 G N -0.591 108.228 108.800 0.031 0.000 1.876 649 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.059 649 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.059 649 G C -0.219 174.703 174.900 0.036 0.000 0.755 649 G CA -0.109 45.007 45.100 0.027 0.000 1.092 649 G HN -0.168 nan 8.290 nan 0.000 0.322 650 V N 1.891 121.823 119.914 0.031 0.000 3.747 650 V HA 0.423 4.543 4.120 -0.000 0.000 0.299 650 V C 0.942 177.063 176.094 0.044 0.000 1.103 650 V CA 1.389 63.710 62.300 0.035 0.000 1.154 650 V CB 0.738 32.581 31.823 0.033 0.000 1.127 650 V HN 1.044 nan 8.190 nan 0.000 0.482 651 R N -0.697 119.831 120.500 0.048 0.000 2.638 651 R HA 0.458 4.798 4.340 -0.000 0.000 0.269 651 R C -2.859 173.487 176.300 0.076 0.000 1.393 651 R CA -1.976 54.157 56.100 0.054 0.000 1.531 651 R CB -1.618 28.708 30.300 0.042 0.000 1.327 651 R HN 0.451 nan 8.270 nan 0.000 0.709 652 P HA -0.110 nan 4.420 nan 0.000 0.268 652 P C -1.869 175.560 177.300 0.216 0.000 1.140 652 P CA -0.299 62.912 63.100 0.186 0.000 0.751 652 P CB 0.400 32.235 31.700 0.224 0.000 0.740 653 P HA -0.135 nan 4.420 nan 0.000 0.233 653 P C -0.391 176.745 177.300 -0.272 0.000 1.157 653 P CA 1.160 64.191 63.100 -0.114 0.000 0.764 653 P CB -0.344 31.217 31.700 -0.232 0.000 0.798 654 F N -0.295 119.642 119.950 -0.022 0.000 2.415 654 F HA 0.415 4.942 4.527 -0.000 0.000 0.348 654 F C 1.655 177.440 175.800 -0.025 0.000 1.119 654 F CA -0.461 57.525 58.000 -0.024 0.000 1.069 654 F CB 1.309 40.298 39.000 -0.018 0.000 1.124 654 F HN -0.182 nan 8.300 nan 0.000 0.472 655 R N 1.978 122.544 120.500 0.110 0.000 4.515 655 R HA 0.334 4.674 4.340 -0.000 0.000 0.095 655 R C -0.472 175.853 176.300 0.041 0.000 0.665 655 R CA -0.378 55.754 56.100 0.053 0.000 1.345 655 R CB 0.333 30.637 30.300 0.007 0.000 1.556 655 R HN 0.486 nan 8.270 nan 0.000 0.411 656 L N -1.119 120.116 121.223 0.020 0.000 2.335 656 L HA 0.636 4.976 4.340 -0.000 0.000 0.268 656 L C 1.227 178.130 176.870 0.056 0.000 1.016 656 L CA -0.888 53.972 54.840 0.033 0.000 0.805 656 L CB 0.821 42.885 42.059 0.008 0.000 1.311 656 L HN -0.002 nan 8.230 nan 0.000 0.456 657 H N 0.294 119.350 119.070 -0.024 0.000 2.260 657 H HA -0.044 4.512 4.556 -0.000 0.000 0.304 657 H C 1.845 177.142 175.328 -0.053 0.000 1.059 657 H CA 2.255 58.283 56.048 -0.034 0.000 1.305 657 H CB -0.078 29.660 29.762 -0.039 0.000 1.388 657 H HN 0.640 nan 8.280 nan 0.000 0.496 658 L N 0.345 121.531 121.223 -0.062 0.000 2.171 658 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 658 L C 1.655 178.425 176.870 -0.167 0.000 1.084 658 L CA 1.953 56.720 54.840 -0.121 0.000 0.771 658 L CB -0.149 41.896 42.059 -0.022 0.000 0.890 658 L HN 0.480 nan 8.230 nan 0.000 0.437 659 E N -0.700 119.411 120.200 -0.148 0.000 2.250 659 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 659 E C 2.080 178.529 176.600 -0.252 0.000 0.986 659 E CA 0.949 57.246 56.400 -0.171 0.000 0.849 659 E CB -0.069 29.545 29.700 -0.142 0.000 0.797 659 E HN 0.578 nan 8.360 nan 0.000 0.482 660 A N 1.333 124.000 122.820 -0.255 0.000 2.119 660 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 660 A C 2.043 179.484 177.584 -0.237 0.000 1.153 660 A CA 0.758 52.629 52.037 -0.277 0.000 0.692 660 A CB -0.122 18.863 19.000 -0.025 0.000 0.799 660 A HN 0.036 nan 8.150 nan 0.000 0.458 661 Q N 0.458 120.078 119.800 -0.300 0.000 2.046 661 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 661 Q C 1.772 177.683 176.000 -0.148 0.000 0.975 661 Q CA 1.572 57.224 55.803 -0.252 0.000 0.836 661 Q CB -0.408 28.155 28.738 -0.292 0.000 0.896 661 Q HN 0.694 nan 8.270 nan 0.000 0.428 662 K N 0.538 120.846 120.400 -0.153 0.000 2.218 662 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 662 K C 1.997 178.531 176.600 -0.109 0.000 1.046 662 K CA 1.100 57.319 56.287 -0.114 0.000 0.933 662 K CB -0.153 32.275 32.500 -0.119 0.000 0.728 662 K HN 0.145 nan 8.250 nan 0.000 0.454 663 A N 1.234 123.959 122.820 -0.158 0.000 1.930 663 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 663 A C 2.068 179.648 177.584 -0.007 0.000 1.175 663 A CA 1.111 53.074 52.037 -0.124 0.000 0.627 663 A CB -0.347 18.487 19.000 -0.277 0.000 0.815 663 A HN 0.143 nan 8.150 nan 0.000 0.443 664 L N -1.003 120.219 121.223 -0.002 0.000 2.102 664 L HA -0.055 4.285 4.340 -0.000 0.000 0.202 664 L C 2.543 179.420 176.870 0.012 0.000 1.076 664 L CA 1.466 56.322 54.840 0.027 0.000 0.761 664 L CB -0.419 41.664 42.059 0.040 0.000 0.921 664 L HN 0.418 nan 8.230 nan 0.000 0.444 665 K N 0.808 121.206 120.400 -0.003 0.000 2.281 665 K HA -0.180 4.140 4.320 -0.000 0.000 0.203 665 K C 1.967 178.564 176.600 -0.005 0.000 1.046 665 K CA 1.071 57.357 56.287 -0.000 0.000 0.938 665 K CB 0.058 32.552 32.500 -0.011 0.000 0.737 665 K HN 0.273 nan 8.250 nan 0.000 0.458 666 A N 1.663 124.475 122.820 -0.012 0.000 1.845 666 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 666 A C 1.831 179.415 177.584 -0.000 0.000 1.195 666 A CA 1.274 53.305 52.037 -0.010 0.000 0.616 666 A CB -0.445 18.546 19.000 -0.016 0.000 0.832 666 A HN 0.329 nan 8.150 nan 0.000 0.443 667 R N -0.106 120.395 120.500 0.003 0.000 2.366 667 R HA 0.031 4.371 4.340 -0.000 0.000 0.201 667 R C -0.524 175.775 176.300 -0.002 0.000 1.057 667 R CA 0.468 56.567 56.100 -0.002 0.000 1.086 667 R CB -0.402 29.890 30.300 -0.015 0.000 0.914 667 R HN 0.493 nan 8.270 nan 0.000 0.476 668 K N 0.309 120.712 120.400 0.004 0.000 3.939 668 K HA -0.141 4.178 4.320 -0.000 0.000 0.281 668 K C -0.894 175.713 176.600 0.011 0.000 0.981 668 K CA 0.277 56.570 56.287 0.010 0.000 0.833 668 K CB -1.143 31.366 32.500 0.014 0.000 1.501 668 K HN 0.027 nan 8.250 nan 0.000 0.445 669 V N 1.905 121.827 119.914 0.012 0.000 2.370 669 V HA 0.300 4.419 4.120 -0.000 0.000 0.283 669 V C -1.906 174.201 176.094 0.022 0.000 1.023 669 V CA -2.186 60.124 62.300 0.015 0.000 0.857 669 V CB 1.320 33.154 31.823 0.018 0.000 0.985 669 V HN 0.223 nan 8.190 nan 0.000 0.443 670 P HA 0.021 nan 4.420 nan 0.000 0.264 670 P C 0.096 177.395 177.300 -0.001 0.000 1.173 670 P CA 0.435 63.541 63.100 0.010 0.000 0.761 670 P CB 0.773 32.479 31.700 0.009 0.000 0.794 671 E N 2.541 122.737 120.200 -0.008 0.000 2.081 671 E HA 0.270 4.620 4.350 -0.000 0.000 0.213 671 E C 0.153 176.686 176.600 -0.112 0.000 0.921 671 E CA 0.468 56.852 56.400 -0.028 0.000 0.936 671 E CB -0.507 29.198 29.700 0.009 0.000 0.981 671 E HN 0.466 nan 8.360 nan 0.000 0.502 672 A N 0.423 123.192 122.820 -0.086 0.000 2.274 672 A HA 0.486 4.806 4.320 -0.000 0.000 0.309 672 A C 0.008 177.551 177.584 -0.069 0.000 1.226 672 A CA -0.087 51.884 52.037 -0.110 0.000 0.853 672 A CB 0.531 19.489 19.000 -0.070 0.000 1.146 672 A HN 0.499 nan 8.150 nan 0.000 0.518 673 M N 0.199 119.754 119.600 -0.075 0.000 2.880 673 M HA -0.181 4.299 4.480 -0.000 0.000 0.173 673 M C 0.979 177.261 176.300 -0.030 0.000 0.657 673 M CA 1.331 56.605 55.300 -0.044 0.000 0.661 673 M CB -2.293 30.290 32.600 -0.028 0.000 2.393 673 M HN 1.122 nan 8.290 nan 0.000 0.280 674 G N 0.685 109.465 108.800 -0.033 0.000 2.614 674 G HA2 0.280 4.240 3.960 -0.000 0.000 0.239 674 G HA3 0.280 4.240 3.960 -0.000 0.000 0.239 674 G C 0.059 174.955 174.900 -0.006 0.000 1.240 674 G CA -0.254 44.838 45.100 -0.014 0.000 0.842 674 G HN 0.416 nan 8.290 nan 0.000 0.584 675 R N 0.895 121.401 120.500 0.009 0.000 2.343 675 R HA 0.330 4.670 4.340 -0.000 0.000 0.320 675 R C -0.679 175.642 176.300 0.035 0.000 0.956 675 R CA -0.800 55.312 56.100 0.021 0.000 0.836 675 R CB 0.975 31.289 30.300 0.024 0.000 1.151 675 R HN 0.371 nan 8.270 nan 0.000 0.450 676 L N 4.823 126.075 121.223 0.048 0.000 2.257 676 L HA 0.352 4.692 4.340 -0.000 0.000 0.290 676 L C -0.683 176.254 176.870 0.112 0.000 1.044 676 L CA 0.063 54.945 54.840 0.070 0.000 0.810 676 L CB 1.333 43.428 42.059 0.061 0.000 1.193 676 L HN 0.742 nan 8.230 nan 0.000 0.425 677 S N 5.178 120.949 115.700 0.118 0.000 2.452 677 S HA 0.597 5.067 4.470 -0.000 0.000 0.284 677 S C -0.713 174.029 174.600 0.236 0.000 1.171 677 S CA -0.583 57.699 58.200 0.138 0.000 1.064 677 S CB 0.936 64.192 63.200 0.093 0.000 0.967 677 S HN 0.554 nan 8.310 nan 0.000 0.484 678 F N 2.898 122.874 119.950 0.044 0.000 3.395 678 F HA 0.415 4.942 4.527 -0.000 0.000 0.382 678 F C -0.620 175.211 175.800 0.051 0.000 1.264 678 F CA -0.641 57.387 58.000 0.046 0.000 1.277 678 F CB 0.847 39.877 39.000 0.050 0.000 1.780 678 F HN 0.657 nan 8.300 nan 0.000 0.691 679 R N 3.794 124.047 120.500 -0.412 0.000 2.583 679 R HA 0.785 5.124 4.340 -0.000 0.000 0.268 679 R C -1.403 174.471 176.300 -0.710 0.000 1.101 679 R CA -0.973 54.860 56.100 -0.445 0.000 1.180 679 R CB 1.348 31.527 30.300 -0.202 0.000 1.128 679 R HN 0.751 nan 8.270 nan 0.000 0.568 680 L N 0.910 121.873 121.223 -0.433 0.000 2.710 680 L HA 0.250 4.590 4.340 -0.000 0.000 0.262 680 L C -1.380 175.386 176.870 -0.173 0.000 0.940 680 L CA -0.378 54.271 54.840 -0.319 0.000 0.944 680 L CB 1.527 43.392 42.059 -0.325 0.000 1.348 680 L HN 0.563 nan 8.230 nan 0.000 0.425 681 K N 4.970 125.300 120.400 -0.117 0.000 2.459 681 K HA 0.410 4.730 4.320 -0.000 0.000 0.218 681 K C -0.984 175.583 176.600 -0.056 0.000 1.067 681 K CA -0.184 56.047 56.287 -0.094 0.000 1.045 681 K CB 0.647 33.096 32.500 -0.085 0.000 1.623 681 K HN 0.650 nan 8.250 nan 0.000 0.509 682 E N 4.116 124.290 120.200 -0.043 0.000 2.363 682 E HA 0.315 4.664 4.350 -0.000 0.000 0.281 682 E C -1.830 174.768 176.600 -0.005 0.000 0.953 682 E CA -0.861 55.531 56.400 -0.014 0.000 0.778 682 E CB 1.243 30.947 29.700 0.007 0.000 1.220 682 E HN 0.462 nan 8.360 nan 0.000 0.431 683 L N 0.760 121.984 121.223 0.002 0.000 2.482 683 L HA 0.700 5.040 4.340 -0.000 0.000 0.263 683 L C -0.930 175.954 176.870 0.023 0.000 0.957 683 L CA -1.083 53.766 54.840 0.015 0.000 0.836 683 L CB 2.078 44.141 42.059 0.006 0.000 1.324 683 L HN 0.458 nan 8.230 nan 0.000 0.406 684 R N 1.736 122.257 120.500 0.035 0.000 2.575 684 R HA 0.392 4.732 4.340 -0.000 0.000 0.281 684 R C -2.701 173.627 176.300 0.047 0.000 1.272 684 R CA -1.556 54.567 56.100 0.037 0.000 1.417 684 R CB 0.390 30.713 30.300 0.039 0.000 1.121 684 R HN 0.461 nan 8.270 nan 0.000 0.583 685 P HA 0.019 nan 4.420 nan 0.000 0.267 685 P C -0.601 176.733 177.300 0.057 0.000 1.209 685 P CA -0.029 63.103 63.100 0.054 0.000 0.763 685 P CB 0.793 32.515 31.700 0.037 0.000 0.816 686 K N 1.530 121.986 120.400 0.092 0.000 2.895 686 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 686 K C 0.076 176.736 176.600 0.101 0.000 1.133 686 K CA -0.395 55.932 56.287 0.068 0.000 1.060 686 K CB 0.538 33.063 32.500 0.040 0.000 0.735 686 K HN 0.474 nan 8.250 nan 0.000 0.451 687 E N 2.271 122.549 120.200 0.130 0.000 3.142 687 E HA -0.183 4.167 4.350 -0.000 0.000 0.276 687 E C -0.605 176.061 176.600 0.110 0.000 0.887 687 E CA 0.935 57.432 56.400 0.163 0.000 0.975 687 E CB 0.487 30.244 29.700 0.095 0.000 0.937 687 E HN 0.171 nan 8.360 nan 0.000 0.516 688 R N 3.271 123.877 120.500 0.176 0.000 2.832 688 R HA 0.490 4.830 4.340 -0.000 0.000 0.271 688 R C -0.683 175.670 176.300 0.088 0.000 0.996 688 R CA -0.894 55.225 56.100 0.032 0.000 0.977 688 R CB 1.683 31.856 30.300 -0.212 0.000 1.168 688 R HN 0.372 nan 8.270 nan 0.000 0.482 689 K N 0.001 120.425 120.400 0.040 0.000 2.385 689 K HA 0.771 5.091 4.320 -0.000 0.000 0.248 689 K C -0.589 176.045 176.600 0.057 0.000 0.955 689 K CA -0.898 55.421 56.287 0.054 0.000 0.816 689 K CB 2.515 35.034 32.500 0.032 0.000 1.250 689 K HN 0.777 nan 8.250 nan 0.000 0.434 690 G N -0.509 108.340 108.800 0.082 0.000 2.322 690 G HA2 0.418 4.378 3.960 -0.000 0.000 0.295 690 G HA3 0.418 4.378 3.960 -0.000 0.000 0.295 690 G C -1.049 173.941 174.900 0.150 0.000 1.369 690 G CA -0.263 44.900 45.100 0.106 0.000 0.821 690 G HN 0.485 nan 8.290 nan 0.000 0.536 691 A N -0.918 122.040 122.820 0.231 0.000 2.348 691 A HA 0.716 5.036 4.320 -0.000 0.000 0.224 691 A C -0.131 177.679 177.584 0.377 0.000 1.227 691 A CA 0.348 52.546 52.037 0.268 0.000 0.885 691 A CB -0.043 19.121 19.000 0.272 0.000 0.933 691 A HN 0.450 nan 8.150 nan 0.000 0.506 692 F N -1.453 118.547 119.950 0.083 0.000 2.492 692 F HA 0.566 5.092 4.527 -0.000 0.000 0.327 692 F C -0.583 175.333 175.800 0.193 0.000 1.079 692 F CA -1.626 56.439 58.000 0.109 0.000 0.967 692 F CB 1.432 40.481 39.000 0.082 0.000 1.169 692 F HN 0.136 nan 8.300 nan 0.000 0.472 693 Y N 3.865 124.244 120.300 0.133 0.000 2.332 693 Y HA 0.474 5.024 4.550 -0.000 0.000 0.326 693 Y C -1.040 174.893 175.900 0.053 0.000 0.978 693 Y CA -1.718 56.435 58.100 0.089 0.000 1.205 693 Y CB 0.951 39.438 38.460 0.045 0.000 1.131 693 Y HN 0.443 nan 8.280 nan 0.000 0.462 694 L N 7.559 128.700 121.223 -0.136 0.000 2.505 694 L HA 0.242 4.582 4.340 -0.000 0.000 0.279 694 L C 0.876 177.351 176.870 -0.657 0.000 1.211 694 L CA 0.025 54.687 54.840 -0.298 0.000 1.059 694 L CB -0.208 41.729 42.059 -0.205 0.000 1.340 694 L HN 0.534 nan 8.230 nan 0.000 0.447 695 R N 6.174 126.297 120.500 -0.628 0.000 2.480 695 R HA 0.101 4.441 4.340 -0.000 0.000 0.303 695 R C -2.141 173.943 176.300 -0.360 0.000 0.985 695 R CA -1.113 54.647 56.100 -0.566 0.000 1.051 695 R CB 0.514 30.625 30.300 -0.315 0.000 0.935 695 R HN 0.240 nan 8.270 nan 0.000 0.410 696 P HA 0.013 nan 4.420 nan 0.000 0.269 696 P C -0.809 176.429 177.300 -0.104 0.000 1.209 696 P CA 0.100 63.093 63.100 -0.178 0.000 0.776 696 P CB 1.145 32.791 31.700 -0.090 0.000 0.876 697 T N -1.434 113.056 114.554 -0.108 0.000 2.812 697 T HA 0.387 4.737 4.350 -0.000 0.000 0.294 697 T C 0.891 175.561 174.700 -0.049 0.000 1.159 697 T CA -0.828 61.242 62.100 -0.049 0.000 1.008 697 T CB 1.428 70.279 68.868 -0.030 0.000 1.289 697 T HN 0.350 nan 8.240 nan 0.000 0.514 698 M N -0.437 119.136 119.600 -0.044 0.000 2.115 698 M HA 0.299 4.779 4.480 -0.000 0.000 0.261 698 M C -0.255 175.954 176.300 -0.152 0.000 1.079 698 M CA 0.498 55.702 55.300 -0.161 0.000 1.143 698 M CB 0.113 32.525 32.600 -0.312 0.000 1.332 698 M HN 0.657 nan 8.290 nan 0.000 0.421 699 W N 2.591 123.856 121.300 -0.058 0.000 2.137 699 W HA 0.155 4.815 4.660 -0.000 0.000 0.344 699 W C -0.084 176.376 176.519 -0.099 0.000 1.286 699 W CA -0.373 56.935 57.345 -0.062 0.000 1.240 699 W CB 0.241 29.671 29.460 -0.051 0.000 1.141 699 W HN -0.032 nan 8.180 nan 0.000 0.579 700 K N 1.312 121.801 120.400 0.149 0.000 2.203 700 K HA 0.468 4.788 4.320 -0.000 0.000 0.251 700 K C 0.741 177.314 176.600 -0.045 0.000 0.944 700 K CA -0.390 55.913 56.287 0.027 0.000 0.829 700 K CB 1.399 33.925 32.500 0.044 0.000 1.125 700 K HN 0.391 nan 8.250 nan 0.000 0.430 701 A N 1.890 124.721 122.820 0.018 0.000 1.917 701 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 701 A C 1.158 178.688 177.584 -0.090 0.000 1.182 701 A CA 1.790 53.818 52.037 -0.016 0.000 0.633 701 A CB -1.001 18.026 19.000 0.046 0.000 0.819 701 A HN 0.842 nan 8.150 nan 0.000 0.448 702 H N -0.630 118.305 119.070 -0.225 0.000 2.832 702 H HA 0.230 4.786 4.556 -0.000 0.000 0.297 702 H C 0.692 175.700 175.328 -0.533 0.000 1.103 702 H CA 0.917 56.746 56.048 -0.364 0.000 1.201 702 H CB -0.529 28.919 29.762 -0.524 0.000 1.291 702 H HN 0.676 nan 8.280 nan 0.000 0.614 703 Q N -0.043 119.420 119.800 -0.562 0.000 2.211 703 Q HA 0.303 4.643 4.340 -0.000 0.000 0.242 703 Q C 0.887 176.780 176.000 -0.179 0.000 0.825 703 Q CA 0.185 55.744 55.803 -0.406 0.000 0.951 703 Q CB 0.893 29.509 28.738 -0.204 0.000 1.130 703 Q HN 0.493 nan 8.270 nan 0.000 0.496 704 A N 1.796 124.500 122.820 -0.193 0.000 3.196 704 A HA 0.274 4.594 4.320 -0.000 0.000 0.275 704 A C -0.112 177.400 177.584 -0.120 0.000 2.036 704 A CA 0.428 52.352 52.037 -0.188 0.000 1.503 704 A CB -0.868 18.036 19.000 -0.160 0.000 0.918 704 A HN 0.062 nan 8.150 nan 0.000 0.599 705 V N -0.571 119.280 119.914 -0.104 0.000 3.114 705 V HA 0.805 4.925 4.120 -0.000 0.000 0.308 705 V C 1.250 177.284 176.094 -0.099 0.000 1.168 705 V CA -0.250 62.021 62.300 -0.048 0.000 1.015 705 V CB 0.878 32.744 31.823 0.071 0.000 1.050 705 V HN 1.456 nan 8.190 nan 0.000 0.433 706 G N 2.272 111.023 108.800 -0.081 0.000 2.665 706 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.326 706 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.326 706 G C 0.721 175.501 174.900 -0.199 0.000 1.231 706 G CA 0.896 45.934 45.100 -0.103 0.000 0.992 706 G HN 0.687 nan 8.290 nan 0.000 0.549 707 K N 1.324 121.565 120.400 -0.264 0.000 2.400 707 K HA 0.426 4.745 4.320 -0.000 0.000 0.194 707 K C 2.521 178.587 176.600 -0.891 0.000 1.033 707 K CA 1.333 57.339 56.287 -0.468 0.000 1.021 707 K CB -0.288 32.001 32.500 -0.352 0.000 0.808 707 K HN 0.718 nan 8.250 nan 0.000 0.505 708 A N 0.906 123.306 122.820 -0.700 0.000 2.208 708 A HA -0.044 4.276 4.320 -0.000 0.000 0.209 708 A C 2.018 179.241 177.584 -0.601 0.000 1.161 708 A CA 0.301 51.855 52.037 -0.805 0.000 0.782 708 A CB -0.174 18.556 19.000 -0.449 0.000 0.816 708 A HN 0.268 nan 8.150 nan 0.000 0.477 709 Q N -0.213 119.335 119.800 -0.420 0.000 2.065 709 Q HA -0.251 4.089 4.340 -0.000 0.000 0.213 709 Q C 1.428 177.239 176.000 -0.316 0.000 1.012 709 Q CA 2.044 57.668 55.803 -0.299 0.000 0.876 709 Q CB -0.101 28.501 28.738 -0.226 0.000 0.954 709 Q HN 0.574 nan 8.270 nan 0.000 0.413 710 E N -1.247 118.748 120.200 -0.341 0.000 2.478 710 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 710 E C 0.893 177.282 176.600 -0.352 0.000 1.045 710 E CA 0.506 56.733 56.400 -0.288 0.000 0.868 710 E CB 0.412 29.980 29.700 -0.220 0.000 0.885 710 E HN 0.314 nan 8.360 nan 0.000 0.505 711 A N 0.034 122.520 122.820 -0.556 0.000 2.307 711 A HA 0.410 4.730 4.320 -0.000 0.000 0.218 711 A C 1.668 178.713 177.584 -0.900 0.000 1.228 711 A CA 0.824 52.433 52.037 -0.713 0.000 0.857 711 A CB 0.169 18.599 19.000 -0.950 0.000 0.897 711 A HN 0.166 nan 8.150 nan 0.000 0.495 712 A N -0.405 122.064 122.820 -0.585 0.000 1.964 712 A HA 0.321 4.641 4.320 -0.000 0.000 0.198 712 A C 1.102 178.565 177.584 -0.202 0.000 1.599 712 A CA -0.275 51.531 52.037 -0.386 0.000 0.968 712 A CB -0.018 18.778 19.000 -0.340 0.000 1.029 712 A HN 0.362 nan 8.150 nan 0.000 0.508 713 R N 0.923 121.312 120.500 -0.184 0.000 2.638 713 R HA 0.310 4.650 4.340 -0.000 0.000 0.268 713 R C 0.766 177.011 176.300 -0.092 0.000 1.006 713 R CA 0.233 56.263 56.100 -0.116 0.000 1.088 713 R CB 0.211 30.447 30.300 -0.108 0.000 0.950 713 R HN 0.524 nan 8.270 nan 0.000 0.419 718 A N 1.260 123.453 122.820 -1.046 0.000 3.426 718 A HA 0.447 4.766 4.320 -0.000 0.000 0.222 718 A C -0.183 177.121 177.584 -0.467 0.000 1.090 718 A CA -0.087 51.556 52.037 -0.657 0.000 1.026 718 A CB -0.563 18.257 19.000 -0.299 0.000 1.342 718 A HN 0.309 nan 8.150 nan 0.000 0.695 719 H N -0.163 118.830 119.070 -0.129 0.000 2.162 719 H HA 0.267 4.823 4.556 -0.000 0.000 0.228 719 H C -1.816 173.473 175.328 -0.064 0.000 0.941 719 H CA 0.363 56.374 56.048 -0.062 0.000 1.213 719 H CB -1.417 28.346 29.762 0.002 0.000 1.318 719 H HN 0.503 nan 8.280 nan 0.000 0.496 720 P HA 0.195 nan 4.420 nan 0.000 0.282 720 P C -0.027 177.238 177.300 -0.058 0.000 1.249 720 P CA -0.250 62.850 63.100 -0.001 0.000 0.806 720 P CB 1.623 33.331 31.700 0.013 0.000 0.984 721 E N 0.909 121.080 120.200 -0.048 0.000 2.194 721 E HA 0.379 4.729 4.350 -0.000 0.000 0.284 721 E C -0.544 176.018 176.600 -0.064 0.000 1.035 721 E CA 0.234 56.597 56.400 -0.062 0.000 0.836 721 E CB 0.457 30.131 29.700 -0.042 0.000 1.070 721 E HN 0.378 nan 8.360 nan 0.000 0.401 722 T N 1.268 115.771 114.554 -0.085 0.000 4.012 722 T HA 0.209 4.559 4.350 -0.000 0.000 0.167 722 T C -0.070 174.568 174.700 -0.103 0.000 0.566 722 T CA -0.267 61.785 62.100 -0.079 0.000 1.112 722 T CB -0.001 68.813 68.868 -0.089 0.000 1.206 722 T HN 0.548 nan 8.240 nan 0.000 0.544 723 A N 2.357 125.122 122.820 -0.091 0.000 2.695 723 A HA 0.027 4.347 4.320 -0.000 0.000 0.230 723 A C 1.970 179.494 177.584 -0.100 0.000 1.273 723 A CA 0.635 52.613 52.037 -0.099 0.000 1.081 723 A CB 0.399 19.362 19.000 -0.063 0.000 1.054 723 A HN 0.710 nan 8.150 nan 0.000 0.515 724 R N 1.327 121.765 120.500 -0.103 0.000 2.066 724 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 724 R C 1.255 177.546 176.300 -0.015 0.000 1.131 724 R CA 1.401 57.461 56.100 -0.065 0.000 0.955 724 R CB -1.774 28.497 30.300 -0.048 0.000 0.851 724 R HN 1.123 nan 8.270 nan 0.000 0.432 725 A N 2.636 125.448 122.820 -0.014 0.000 2.898 725 A HA 0.027 4.347 4.320 -0.000 0.000 0.288 725 A C 0.090 177.677 177.584 0.004 0.000 1.771 725 A CA 0.264 52.301 52.037 0.001 0.000 1.383 725 A CB -0.411 18.588 19.000 -0.002 0.000 1.028 725 A HN 0.400 nan 8.150 nan 0.000 0.595 726 E N 0.885 121.093 120.200 0.014 0.000 3.085 726 E HA 0.339 4.689 4.350 -0.000 0.000 0.179 726 E C 0.234 176.853 176.600 0.032 0.000 0.951 726 E CA 0.462 56.875 56.400 0.021 0.000 1.326 726 E CB 0.491 30.202 29.700 0.018 0.000 1.043 726 E HN 1.396 nan 8.360 nan 0.000 0.457 727 A N 0.882 123.720 122.820 0.030 0.000 2.996 727 A HA -0.195 4.125 4.320 -0.000 0.000 0.257 727 A C -0.072 177.536 177.584 0.041 0.000 1.394 727 A CA 0.706 52.763 52.037 0.033 0.000 0.820 727 A CB -2.167 16.852 19.000 0.031 0.000 1.054 727 A HN 0.278 nan 8.150 nan 0.000 0.619 728 L N -0.029 121.224 121.223 0.050 0.000 2.356 728 L HA 0.415 4.755 4.340 -0.000 0.000 0.264 728 L C -1.977 174.945 176.870 0.087 0.000 1.029 728 L CA -1.912 52.969 54.840 0.068 0.000 0.897 728 L CB 1.140 43.246 42.059 0.078 0.000 1.256 728 L HN 0.142 nan 8.230 nan 0.000 0.444 729 P HA 0.072 nan 4.420 nan 0.000 0.272 729 P C -0.471 176.862 177.300 0.055 0.000 1.254 729 P CA -0.458 62.675 63.100 0.054 0.000 0.795 729 P CB 0.562 32.276 31.700 0.023 0.000 1.022 730 E N 0.624 120.834 120.200 0.016 0.000 2.217 730 E HA 0.275 4.624 4.350 -0.000 0.000 0.279 730 E C 1.029 177.555 176.600 -0.123 0.000 1.068 730 E CA 0.399 56.751 56.400 -0.080 0.000 0.882 730 E CB -0.087 29.553 29.700 -0.101 0.000 1.039 730 E HN 0.769 nan 8.360 nan 0.000 0.418 731 G N 2.721 111.418 108.800 -0.172 0.000 2.221 731 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.265 731 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.265 731 G C 0.281 175.133 174.900 -0.079 0.000 1.041 731 G CA 0.272 45.285 45.100 -0.145 0.000 0.807 731 G HN 0.694 nan 8.290 nan 0.000 0.502 732 A N -0.264 122.530 122.820 -0.044 0.000 2.312 732 A HA 0.743 5.063 4.320 -0.000 0.000 0.326 732 A C 0.417 177.993 177.584 -0.013 0.000 1.172 732 A CA -0.455 51.569 52.037 -0.022 0.000 0.821 732 A CB 0.726 19.724 19.000 -0.003 0.000 1.166 732 A HN 0.308 nan 8.150 nan 0.000 0.493 733 Q N 1.561 121.352 119.800 -0.016 0.000 2.344 733 Q HA 0.329 4.669 4.340 -0.000 0.000 0.253 733 Q C 0.251 176.254 176.000 0.004 0.000 1.050 733 Q CA 0.016 55.812 55.803 -0.011 0.000 0.912 733 Q CB 0.747 29.473 28.738 -0.020 0.000 1.258 733 Q HN 0.724 nan 8.270 nan 0.000 0.443 734 V N -0.690 119.234 119.914 0.016 0.000 3.284 734 V HA 0.994 5.113 4.120 -0.000 0.000 0.309 734 V C -0.458 175.656 176.094 0.034 0.000 1.190 734 V CA -1.050 61.268 62.300 0.030 0.000 1.038 734 V CB 1.772 33.624 31.823 0.048 0.000 1.198 734 V HN 0.638 nan 8.190 nan 0.000 0.465 735 A N 0.136 122.983 122.820 0.044 0.000 2.380 735 A HA 0.943 5.263 4.320 -0.000 0.000 0.315 735 A C -0.894 176.732 177.584 0.071 0.000 1.101 735 A CA -0.677 51.388 52.037 0.046 0.000 0.771 735 A CB 1.831 20.851 19.000 0.033 0.000 1.287 735 A HN 1.525 nan 8.150 nan 0.000 0.436 736 V N 0.758 120.716 119.914 0.073 0.000 2.932 736 V HA 0.506 4.626 4.120 -0.000 0.000 0.307 736 V C -0.657 175.461 176.094 0.039 0.000 1.147 736 V CA -0.569 61.787 62.300 0.094 0.000 0.951 736 V CB 1.935 33.872 31.823 0.190 0.000 1.031 736 V HN 1.016 nan 8.190 nan 0.000 0.426 737 E N 2.140 122.325 120.200 -0.026 0.000 2.210 737 E HA 0.762 5.112 4.350 -0.000 0.000 0.266 737 E C -0.869 175.653 176.600 -0.130 0.000 0.883 737 E CA -0.324 56.047 56.400 -0.049 0.000 0.761 737 E CB 2.155 31.828 29.700 -0.044 0.000 1.156 737 E HN 0.939 nan 8.360 nan 0.000 0.412 738 T N 0.726 115.247 114.554 -0.055 0.000 2.883 738 T HA 0.405 4.755 4.350 -0.000 0.000 0.296 738 T C -2.279 172.442 174.700 0.036 0.000 1.117 738 T CA -1.868 60.206 62.100 -0.044 0.000 1.006 738 T CB 1.478 70.370 68.868 0.039 0.000 1.191 738 T HN 0.143 nan 8.240 nan 0.000 0.508 739 P HA -0.035 nan 4.420 nan 0.000 0.218 739 P C 0.455 177.642 177.300 -0.189 0.000 1.146 739 P CA 1.101 64.139 63.100 -0.104 0.000 0.820 739 P CB -0.187 31.421 31.700 -0.153 0.000 0.778 740 F N -1.298 118.620 119.950 -0.054 0.000 2.664 740 F HA 0.417 4.943 4.527 -0.000 0.000 0.301 740 F C 1.661 177.456 175.800 -0.008 0.000 1.126 740 F CA 0.530 58.513 58.000 -0.029 0.000 1.373 740 F CB -0.445 38.565 39.000 0.017 0.000 1.042 740 F HN -0.070 nan 8.300 nan 0.000 0.535 741 G N 0.561 109.422 108.800 0.102 0.000 2.434 741 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.671 741 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.671 741 G C -1.199 173.746 174.900 0.074 0.000 1.280 741 G CA -1.206 43.942 45.100 0.079 0.000 0.975 741 G HN 0.259 nan 8.290 nan 0.000 0.510 742 R N -0.643 119.896 120.500 0.066 0.000 2.460 742 R HA 0.759 5.099 4.340 -0.000 0.000 0.303 742 R C -0.194 176.138 176.300 0.054 0.000 0.968 742 R CA -0.126 56.004 56.100 0.050 0.000 0.889 742 R CB 1.561 31.883 30.300 0.038 0.000 1.123 742 R HN 1.714 nan 8.270 nan 0.000 0.455 743 V N 0.356 120.300 119.914 0.050 0.000 3.077 743 V HA 0.448 4.567 4.120 -0.000 0.000 0.299 743 V C -0.973 175.141 176.094 0.034 0.000 1.276 743 V CA -1.148 61.175 62.300 0.039 0.000 0.993 743 V CB 1.806 33.656 31.823 0.045 0.000 1.076 743 V HN 0.951 nan 8.190 nan 0.000 0.434 744 E N 3.413 123.622 120.200 0.016 0.000 2.242 744 E HA 0.905 5.255 4.350 -0.000 0.000 0.275 744 E C -0.092 176.510 176.600 0.004 0.000 1.002 744 E CA -0.308 56.099 56.400 0.012 0.000 0.841 744 E CB 2.192 31.892 29.700 -0.001 0.000 1.109 744 E HN 1.401 nan 8.360 nan 0.000 0.394 745 A N 2.258 125.083 122.820 0.009 0.000 3.613 745 A HA 0.809 5.129 4.320 -0.000 0.000 0.276 745 A C -1.204 176.379 177.584 -0.002 0.000 1.115 745 A CA -0.907 51.130 52.037 0.000 0.000 0.652 745 A CB 1.248 20.255 19.000 0.013 0.000 1.498 745 A HN 0.803 nan 8.150 nan 0.000 0.710 746 R N -1.735 118.767 120.500 0.003 0.000 2.633 746 R HA 0.487 4.827 4.340 -0.000 0.000 0.256 746 R C 0.049 176.361 176.300 0.020 0.000 1.131 746 R CA -0.080 56.017 56.100 -0.005 0.000 0.994 746 R CB 0.907 31.180 30.300 -0.046 0.000 1.261 746 R HN 2.176 nan 8.270 nan 0.000 0.446 747 V N -0.071 119.873 119.914 0.049 0.000 1.840 747 V HA -0.267 3.853 4.120 -0.000 0.000 0.071 747 V C 0.577 176.912 176.094 0.402 0.000 0.454 747 V CA 1.625 64.031 62.300 0.177 0.000 1.424 747 V CB -1.759 29.893 31.823 -0.285 0.000 1.688 747 V HN 0.782 nan 8.190 nan 0.000 0.841 748 V N 4.588 124.629 119.914 0.211 0.000 2.906 748 V HA -0.150 3.970 4.120 -0.000 0.000 0.265 748 V C 2.245 178.435 176.094 0.160 0.000 0.954 748 V CA 1.359 63.744 62.300 0.141 0.000 1.161 748 V CB -0.515 31.323 31.823 0.026 0.000 0.849 748 V HN 1.013 nan 8.190 nan 0.000 0.460 749 H N 5.480 124.635 119.070 0.140 0.000 2.357 749 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 749 H C 1.570 176.843 175.328 -0.091 0.000 1.108 749 H CA 1.971 58.019 56.048 -0.001 0.000 1.273 749 H CB -0.036 29.724 29.762 -0.004 0.000 1.367 749 H HN 0.674 nan 8.280 nan 0.000 0.498 750 R N -1.030 119.335 120.500 -0.226 0.000 3.326 750 R HA 0.300 4.640 4.340 -0.000 0.000 0.149 750 R C -0.707 175.456 176.300 -0.228 0.000 0.820 750 R CA -0.701 55.276 56.100 -0.206 0.000 0.573 750 R CB 0.893 31.152 30.300 -0.068 0.000 1.019 750 R HN -0.053 nan 8.270 nan 0.000 0.362 751 E N 1.925 122.020 120.200 -0.174 0.000 2.114 751 E HA 0.224 4.573 4.350 -0.000 0.000 0.266 751 E C -1.435 175.042 176.600 -0.204 0.000 0.896 751 E CA -0.347 55.977 56.400 -0.126 0.000 0.750 751 E CB 1.370 31.076 29.700 0.010 0.000 1.121 751 E HN 0.311 nan 8.360 nan 0.000 0.413 752 D N 0.983 121.269 120.400 -0.189 0.000 2.399 752 D HA 0.202 4.841 4.640 -0.000 0.000 0.241 752 D C 0.465 176.679 176.300 -0.143 0.000 1.133 752 D CA 0.163 54.061 54.000 -0.171 0.000 0.890 752 D CB 0.928 41.657 40.800 -0.117 0.000 1.201 752 D HN 0.202 nan 8.370 nan 0.000 0.432 753 V N -0.674 119.137 119.914 -0.172 0.000 3.076 753 V HA 0.807 4.927 4.120 -0.000 0.000 0.311 753 V C -2.853 173.133 176.094 -0.179 0.000 1.346 753 V CA -1.623 60.547 62.300 -0.217 0.000 1.056 753 V CB 1.856 33.394 31.823 -0.476 0.000 1.093 753 V HN 0.430 nan 8.190 nan 0.000 0.468 754 P HA 0.462 nan 4.420 nan 0.000 0.339 754 P C -1.710 175.522 177.300 -0.114 0.000 1.229 754 P CA -0.683 62.393 63.100 -0.039 0.000 0.786 754 P CB 0.607 32.402 31.700 0.159 0.000 1.800 755 K N -0.052 120.388 120.400 0.066 0.000 2.312 755 K HA 0.553 4.873 4.320 -0.000 0.000 0.287 755 K C 0.226 176.851 176.600 0.041 0.000 1.062 755 K CA -0.238 55.983 56.287 -0.110 0.000 0.934 755 K CB -0.574 31.658 32.500 -0.446 0.000 1.027 755 K HN 0.728 nan 8.250 nan 0.000 0.478 756 G N 3.752 112.561 108.800 0.015 0.000 2.452 756 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.275 756 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.275 756 G C -0.826 174.364 174.900 0.483 0.000 1.131 756 G CA 0.064 45.209 45.100 0.075 0.000 1.031 756 G HN 1.161 nan 8.290 nan 0.000 0.511 757 H N -2.276 116.765 119.070 -0.048 0.000 3.057 757 H HA 0.410 4.966 4.556 -0.000 0.000 0.295 757 H C -0.745 174.531 175.328 -0.087 0.000 1.131 757 H CA -1.577 54.459 56.048 -0.019 0.000 1.560 757 H CB -0.042 29.603 29.762 -0.195 0.000 2.108 757 H HN 0.648 nan 8.280 nan 0.000 0.487 758 L N 1.233 122.485 121.223 0.048 0.000 3.263 758 L HA 0.266 4.606 4.340 -0.000 0.000 0.349 758 L C -0.726 176.245 176.870 0.168 0.000 1.313 758 L CA -0.335 54.490 54.840 -0.026 0.000 0.830 758 L CB -0.576 41.476 42.059 -0.011 0.000 1.271 758 L HN 0.439 nan 8.230 nan 0.000 0.596 759 Y N 0.520 120.898 120.300 0.130 0.000 2.480 759 Y HA 0.728 5.278 4.550 -0.000 0.000 0.323 759 Y C 0.234 176.280 175.900 0.243 0.000 1.267 759 Y CA -0.734 57.474 58.100 0.181 0.000 1.336 759 Y CB 1.155 39.693 38.460 0.130 0.000 1.361 759 Y HN -0.025 nan 8.280 nan 0.000 0.518 760 L N 1.161 122.699 121.223 0.524 0.000 2.343 760 L HA 0.582 4.922 4.340 -0.000 0.000 0.275 760 L C 0.027 177.046 176.870 0.249 0.000 1.056 760 L CA -0.031 55.020 54.840 0.353 0.000 0.804 760 L CB 1.427 43.632 42.059 0.243 0.000 1.203 760 L HN 0.713 nan 8.230 nan 0.000 0.440 761 S N 0.264 116.094 115.700 0.217 0.000 2.880 761 S HA 0.902 5.372 4.470 -0.000 0.000 0.308 761 S C -0.685 173.940 174.600 0.042 0.000 1.195 761 S CA -0.602 57.668 58.200 0.116 0.000 0.866 761 S CB 0.838 64.123 63.200 0.141 0.000 1.254 761 S HN 0.738 nan 8.310 nan 0.000 0.571 762 A N 0.692 123.479 122.820 -0.055 0.000 2.440 762 A HA 0.568 4.888 4.320 -0.000 0.000 0.251 762 A C -0.001 177.345 177.584 -0.397 0.000 1.089 762 A CA -0.535 51.418 52.037 -0.140 0.000 0.779 762 A CB -0.426 18.500 19.000 -0.122 0.000 1.022 762 A HN 0.978 nan 8.150 nan 0.000 0.492 763 L N 2.180 123.202 121.223 -0.335 0.000 2.452 763 L HA 0.615 4.955 4.340 -0.000 0.000 0.267 763 L C 0.498 177.119 176.870 -0.415 0.000 1.188 763 L CA 0.692 55.217 54.840 -0.524 0.000 0.821 763 L CB 1.075 43.166 42.059 0.054 0.000 1.102 763 L HN 0.916 nan 8.230 nan 0.000 0.470 764 G N 3.868 112.435 108.800 -0.388 0.000 3.247 764 G HA2 0.148 4.108 3.960 -0.000 0.000 0.243 764 G HA3 0.148 4.108 3.960 -0.000 0.000 0.243 764 G C -2.925 171.972 174.900 -0.005 0.000 3.838 764 G CA -0.286 44.729 45.100 -0.142 0.000 0.438 764 G HN 0.488 nan 8.290 nan 0.000 0.304 765 P HA 0.440 nan 4.420 nan 0.000 0.206 765 P C 0.831 178.175 177.300 0.073 0.000 1.854 765 P CA -0.068 63.111 63.100 0.133 0.000 0.969 765 P CB 0.466 32.278 31.700 0.187 0.000 1.843 766 A N 1.391 124.237 122.820 0.043 0.000 2.602 766 A HA 0.215 4.535 4.320 -0.000 0.000 0.256 766 A C 0.868 178.471 177.584 0.032 0.000 0.956 766 A CA 0.722 52.777 52.037 0.029 0.000 0.878 766 A CB -0.252 18.760 19.000 0.019 0.000 0.834 766 A HN 0.552 nan 8.150 nan 0.000 0.473 767 A N 0.000 122.836 122.820 0.026 0.000 2.254 767 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 767 A CA 0.000 52.051 52.037 0.024 0.000 0.836 767 A CB 0.000 19.014 19.000 0.023 0.000 0.831 767 A HN 0.000 nan 8.150 nan 0.000 0.486