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 5req_1_B DATA FIRST_RESID 20 DATA SEQUENCE TLSLAGDFPK ATEEQWEREV EKVLNRGRPP EKQLTFAECL KRLTVHTVDG DATA SEQUENCE IDIVPMYRPK DAPKKLGYPG VAPFTRGTTV RNGDMDAWDV RALHEDPDEK DATA SEQUENCE FTRKAILEGL ERGVTSLLLR VDPDAIAPEH LDEVLSDVLL EMTKVEVFSR DATA SEQUENCE YDQGAAAEAL VSVYERSDKP AKDLALNLGL DPIGFAALQG TEPDLTVLGD DATA SEQUENCE WVRRLAKFSP DSRAVTIDAN IYHNAGAGDV AELAWALATG AEYVRALVEQ DATA SEQUENCE GFTATEAFDT INFRVTATHD QFLTIARLRA LREAWARIGE VFGVDEDKRG DATA SEQUENCE ARQNAITSWR ELTREDPYVN ILRGSIATFS ASVGGAESIT TLPFTQALGL DATA SEQUENCE PEDDFPLRIA RNTGIVLAEE VNIGRVNDPA GGSYYVESLT RSLADAAWKE DATA SEQUENCE FQEVEKLGGM SKAVMTEHVT KVLDACNAER AKRLANRKQP ITAVSEFPMI DATA SEQUENCE GARSIETKPF PAAPARKGLA WHRDSEVFEQ LMDRSTSVSE RPKVFLACLG DATA SEQUENCE TRRDFGGREG FSSPVWHIAG IDTPQVEGGT TAEIVEAFKK SGAQVADLCS DATA SEQUENCE SAKVYAQQGL EVAKALKAAG AKALYLSGAF KEFGDDAAEA EKLIDGRLFM DATA SEQUENCE GMDVVDTLSS TLDILGVAK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.703 174.700 0.004 0.000 1.109 20 T CA 0.000 62.103 62.100 0.005 0.000 1.349 20 T CB 0.000 68.870 68.868 0.003 0.000 0.612 21 L N 3.664 124.891 121.223 0.007 0.000 2.534 21 L HA 0.595 4.935 4.340 0.001 0.000 0.271 21 L C 0.413 177.289 176.870 0.010 0.000 1.178 21 L CA 0.407 55.252 54.840 0.007 0.000 0.907 21 L CB 0.732 42.798 42.059 0.012 0.000 1.164 21 L HN 0.453 nan 8.230 nan 0.000 0.482 22 S N 5.305 121.007 115.700 0.003 0.000 2.475 22 S HA 0.488 4.958 4.470 0.001 0.000 0.281 22 S C 0.586 175.196 174.600 0.017 0.000 1.198 22 S CA -0.639 57.564 58.200 0.005 0.000 1.063 22 S CB 0.622 63.814 63.200 -0.014 0.000 0.972 22 S HN 0.773 nan 8.310 nan 0.000 0.486 23 L N 4.043 125.295 121.223 0.049 0.000 2.777 23 L HA 0.395 4.735 4.340 0.001 0.000 0.172 23 L C 2.533 179.520 176.870 0.194 0.000 1.179 23 L CA 0.545 55.447 54.840 0.103 0.000 0.859 23 L CB -0.896 41.216 42.059 0.088 0.000 1.269 23 L HN 0.742 nan 8.230 nan 0.000 0.511 24 A N 0.142 123.063 122.820 0.168 0.000 2.119 24 A HA 0.061 4.382 4.320 0.001 0.000 0.216 24 A C 2.046 179.738 177.584 0.181 0.000 1.152 24 A CA 1.121 53.294 52.037 0.228 0.000 0.708 24 A CB -0.875 18.200 19.000 0.125 0.000 0.805 24 A HN 0.449 nan 8.150 nan 0.000 0.460 25 G N -0.428 108.420 108.800 0.080 0.000 2.559 25 G HA2 -0.102 3.858 3.960 0.001 0.000 0.216 25 G HA3 -0.102 3.858 3.960 0.001 0.000 0.216 25 G C 0.760 175.631 174.900 -0.049 0.000 1.126 25 G CA 0.971 46.084 45.100 0.022 0.000 0.778 25 G HN 0.435 nan 8.290 nan 0.000 0.543 26 D N -0.420 119.886 120.400 -0.157 0.000 2.289 26 D HA 0.125 4.766 4.640 0.001 0.000 0.207 26 D C 0.227 176.179 176.300 -0.580 0.000 0.966 26 D CA 0.234 53.995 54.000 -0.399 0.000 0.868 26 D CB 0.133 40.560 40.800 -0.621 0.000 0.943 26 D HN 0.283 nan 8.370 nan 0.000 0.514 27 F N 0.468 120.420 119.950 0.002 0.000 2.523 27 F HA 0.421 4.948 4.527 0.000 0.000 0.329 27 F C -1.681 174.120 175.800 0.002 0.000 1.061 27 F CA -2.716 55.286 58.000 0.003 0.000 0.967 27 F CB 0.162 39.165 39.000 0.005 0.000 1.218 27 F HN -0.316 nan 8.300 nan 0.000 0.480 28 P HA 0.005 nan 4.420 nan 0.000 0.268 28 P C -0.517 176.845 177.300 0.103 0.000 1.208 28 P CA -0.494 62.673 63.100 0.112 0.000 0.777 28 P CB 0.510 32.263 31.700 0.089 0.000 0.875 29 K N 1.495 121.932 120.400 0.061 0.000 2.402 29 K HA 0.398 4.718 4.320 0.001 0.000 0.285 29 K C 0.197 176.817 176.600 0.033 0.000 1.054 29 K CA -0.148 56.166 56.287 0.044 0.000 1.001 29 K CB -0.843 31.672 32.500 0.024 0.000 0.946 29 K HN 0.614 nan 8.250 nan 0.000 0.473 30 A N 4.346 127.182 122.820 0.027 0.000 2.488 30 A HA 0.390 4.711 4.320 0.001 0.000 0.249 30 A C 0.721 178.307 177.584 0.003 0.000 1.083 30 A CA 0.317 52.363 52.037 0.015 0.000 0.768 30 A CB -0.062 18.940 19.000 0.003 0.000 1.017 30 A HN 0.996 nan 8.150 nan 0.000 0.496 31 T N -0.490 114.070 114.554 0.010 0.000 2.950 31 T HA 0.476 4.826 4.350 0.001 0.000 0.288 31 T C 0.811 175.518 174.700 0.012 0.000 1.035 31 T CA -0.012 62.087 62.100 -0.002 0.000 1.028 31 T CB 1.468 70.334 68.868 -0.004 0.000 1.109 31 T HN 0.610 nan 8.240 nan 0.000 0.514 32 E N 0.732 120.925 120.200 -0.011 0.000 2.058 32 E HA -0.229 4.122 4.350 0.001 0.000 0.194 32 E C 1.899 178.499 176.600 0.000 0.000 0.997 32 E CA 2.131 58.530 56.400 -0.002 0.000 0.801 32 E CB -0.379 29.291 29.700 -0.050 0.000 0.746 32 E HN 0.861 nan 8.360 nan 0.000 0.450 33 E N -0.237 119.939 120.200 -0.040 0.000 2.070 33 E HA -0.336 4.015 4.350 0.001 0.000 0.197 33 E C 2.203 178.774 176.600 -0.047 0.000 1.004 33 E CA 1.813 58.176 56.400 -0.061 0.000 0.805 33 E CB -0.124 29.553 29.700 -0.038 0.000 0.744 33 E HN 0.440 nan 8.360 nan 0.000 0.451 34 Q N -0.621 119.176 119.800 -0.004 0.000 2.061 34 Q HA -0.204 4.136 4.340 0.001 0.000 0.204 34 Q C 1.789 177.806 176.000 0.029 0.000 0.984 34 Q CA 1.890 57.698 55.803 0.009 0.000 0.846 34 Q CB -0.393 28.361 28.738 0.028 0.000 0.902 34 Q HN 0.485 nan 8.270 nan 0.000 0.421 35 W N 1.888 123.117 121.300 -0.119 0.000 2.358 35 W HA -0.170 4.491 4.660 0.001 0.000 0.303 35 W C 1.563 177.990 176.519 -0.153 0.000 1.208 35 W CA 1.593 58.865 57.345 -0.122 0.000 1.274 35 W CB -0.008 29.375 29.460 -0.128 0.000 1.138 35 W HN 0.099 nan 8.180 nan 0.000 0.515 36 E N -0.176 119.782 120.200 -0.403 0.000 2.070 36 E HA -0.275 4.076 4.350 0.001 0.000 0.197 36 E C 2.255 178.680 176.600 -0.292 0.000 1.004 36 E CA 1.405 57.421 56.400 -0.640 0.000 0.805 36 E CB -0.314 28.975 29.700 -0.685 0.000 0.744 36 E HN 0.183 nan 8.360 nan 0.000 0.451 37 R N 0.840 121.230 120.500 -0.183 0.000 2.081 37 R HA -0.110 4.230 4.340 0.001 0.000 0.235 37 R C 2.082 178.304 176.300 -0.129 0.000 1.131 37 R CA 0.923 56.958 56.100 -0.109 0.000 0.960 37 R CB -0.448 29.811 30.300 -0.069 0.000 0.856 37 R HN 0.255 nan 8.270 nan 0.000 0.436 38 E N 0.559 120.658 120.200 -0.168 0.000 2.085 38 E HA -0.118 4.232 4.350 0.001 0.000 0.194 38 E C 2.222 178.680 176.600 -0.238 0.000 0.994 38 E CA 0.987 57.283 56.400 -0.173 0.000 0.801 38 E CB -0.386 29.230 29.700 -0.140 0.000 0.743 38 E HN 0.088 nan 8.360 nan 0.000 0.453 39 V N 1.551 121.220 119.914 -0.408 0.000 2.295 39 V HA -0.261 3.859 4.120 0.001 0.000 0.246 39 V C 2.273 178.272 176.094 -0.158 0.000 1.049 39 V CA 1.963 64.063 62.300 -0.334 0.000 1.024 39 V CB -0.569 30.981 31.823 -0.455 0.000 0.648 39 V HN 0.233 nan 8.190 nan 0.000 0.447 40 E N 0.165 120.307 120.200 -0.097 0.000 2.065 40 E HA -0.293 4.058 4.350 0.001 0.000 0.201 40 E C 2.297 178.859 176.600 -0.063 0.000 1.016 40 E CA 1.840 58.206 56.400 -0.056 0.000 0.818 40 E CB -0.221 29.463 29.700 -0.027 0.000 0.749 40 E HN 0.586 nan 8.360 nan 0.000 0.453 41 K N 0.209 120.568 120.400 -0.067 0.000 2.044 41 K HA -0.186 4.134 4.320 0.001 0.000 0.210 41 K C 2.204 178.772 176.600 -0.053 0.000 1.049 41 K CA 1.597 57.851 56.287 -0.055 0.000 0.927 41 K CB -0.281 32.188 32.500 -0.052 0.000 0.713 41 K HN 0.023 nan 8.250 nan 0.000 0.443 42 V N 1.307 121.183 119.914 -0.064 0.000 2.295 42 V HA -0.215 3.905 4.120 0.001 0.000 0.246 42 V C 2.103 178.166 176.094 -0.052 0.000 1.049 42 V CA 1.540 63.807 62.300 -0.055 0.000 1.024 42 V CB -0.350 31.437 31.823 -0.060 0.000 0.648 42 V HN 0.185 nan 8.190 nan 0.000 0.447 43 L N 0.323 121.509 121.223 -0.062 0.000 2.313 43 L HA 0.025 4.365 4.340 0.001 0.000 0.214 43 L C 2.009 178.850 176.870 -0.048 0.000 1.119 43 L CA 1.294 56.100 54.840 -0.058 0.000 0.809 43 L CB -0.806 41.208 42.059 -0.074 0.000 0.933 43 L HN 0.323 nan 8.230 nan 0.000 0.449 44 N N -0.091 118.583 118.700 -0.044 0.000 2.446 44 N HA -0.014 4.726 4.740 0.001 0.000 0.179 44 N C 0.441 175.933 175.510 -0.030 0.000 1.054 44 N CA 0.169 53.197 53.050 -0.036 0.000 0.905 44 N CB -0.033 38.434 38.487 -0.033 0.000 0.973 44 N HN 0.230 nan 8.380 nan 0.000 0.448 45 R N 0.642 121.124 120.500 -0.031 0.000 2.614 45 R HA -0.004 4.336 4.340 0.001 0.000 0.335 45 R C 1.069 177.355 176.300 -0.023 0.000 0.859 45 R CA 0.904 56.988 56.100 -0.026 0.000 1.123 45 R CB -0.463 29.822 30.300 -0.026 0.000 0.887 45 R HN 0.311 nan 8.270 nan 0.000 0.407 46 G N 2.881 111.669 108.800 -0.020 0.000 2.143 46 G HA2 -0.321 3.639 3.960 0.001 0.000 0.249 46 G HA3 -0.321 3.639 3.960 0.001 0.000 0.249 46 G C 0.035 174.924 174.900 -0.018 0.000 0.981 46 G CA -0.209 44.880 45.100 -0.018 0.000 0.665 46 G HN 0.544 nan 8.290 nan 0.000 0.528 47 R N 0.858 121.346 120.500 -0.020 0.000 2.407 47 R HA 0.475 4.815 4.340 0.001 0.000 0.303 47 R C -2.159 174.131 176.300 -0.017 0.000 0.981 47 R CA -1.836 54.253 56.100 -0.019 0.000 0.905 47 R CB 1.174 31.460 30.300 -0.023 0.000 1.099 47 R HN 0.079 nan 8.270 nan 0.000 0.459 48 P HA -0.044 nan 4.420 nan 0.000 0.270 48 P C -2.003 175.289 177.300 -0.013 0.000 1.216 48 P CA -0.958 62.135 63.100 -0.012 0.000 0.788 48 P CB 0.139 31.832 31.700 -0.011 0.000 0.883 49 P HA -0.155 nan 4.420 nan 0.000 0.218 49 P C 0.974 178.268 177.300 -0.010 0.000 1.149 49 P CA 1.541 64.635 63.100 -0.011 0.000 0.817 49 P CB -0.108 31.586 31.700 -0.009 0.000 0.785 50 E N 0.018 120.212 120.200 -0.010 0.000 2.463 50 E HA 0.004 4.354 4.350 0.001 0.000 0.193 50 E C 0.541 177.135 176.600 -0.011 0.000 1.041 50 E CA 0.257 56.651 56.400 -0.010 0.000 0.879 50 E CB -0.071 29.624 29.700 -0.008 0.000 0.997 50 E HN 0.133 nan 8.360 nan 0.000 0.478 51 K N 1.041 121.433 120.400 -0.013 0.000 2.792 51 K HA 0.164 4.484 4.320 0.001 0.000 0.207 51 K C -0.265 176.324 176.600 -0.019 0.000 1.103 51 K CA -0.269 56.008 56.287 -0.016 0.000 1.048 51 K CB 0.779 33.270 32.500 -0.016 0.000 0.777 51 K HN -0.033 nan 8.250 nan 0.000 0.468 52 Q N 1.168 120.957 119.800 -0.018 0.000 2.304 52 Q HA 0.197 4.538 4.340 0.001 0.000 0.260 52 Q C -0.214 175.772 176.000 -0.024 0.000 0.965 52 Q CA 0.090 55.880 55.803 -0.021 0.000 0.898 52 Q CB 1.126 29.854 28.738 -0.017 0.000 1.196 52 Q HN 0.282 nan 8.270 nan 0.000 0.402 53 L N 1.947 123.151 121.223 -0.031 0.000 2.334 53 L HA 0.349 4.689 4.340 0.001 0.000 0.277 53 L C 1.070 177.920 176.870 -0.033 0.000 1.075 53 L CA -0.643 54.173 54.840 -0.040 0.000 0.804 53 L CB 1.011 43.035 42.059 -0.058 0.000 1.174 53 L HN 0.640 nan 8.230 nan 0.000 0.438 54 T N -1.787 112.748 114.554 -0.031 0.000 2.824 54 T HA 0.180 4.530 4.350 0.001 0.000 0.277 54 T C 0.928 175.624 174.700 -0.008 0.000 0.975 54 T CA -0.393 61.706 62.100 -0.001 0.000 0.966 54 T CB 0.808 69.682 68.868 0.010 0.000 1.054 54 T HN 0.429 nan 8.240 nan 0.000 0.533 55 F N 1.642 121.552 119.950 -0.067 0.000 2.043 55 F HA -0.044 4.484 4.527 0.001 0.000 0.297 55 F C 2.700 178.464 175.800 -0.059 0.000 1.121 55 F CA 2.210 60.158 58.000 -0.086 0.000 1.199 55 F CB -1.195 37.754 39.000 -0.084 0.000 0.968 55 F HN 0.761 nan 8.300 nan 0.000 0.478 56 A N 0.128 122.862 122.820 -0.143 0.000 1.915 56 A HA -0.320 4.001 4.320 0.001 0.000 0.220 56 A C 2.125 179.572 177.584 -0.228 0.000 1.198 56 A CA 2.339 54.268 52.037 -0.180 0.000 0.647 56 A CB -1.173 17.812 19.000 -0.025 0.000 0.825 56 A HN 0.641 nan 8.150 nan 0.000 0.456 57 E N -0.966 119.134 120.200 -0.167 0.000 2.085 57 E HA -0.204 4.146 4.350 0.001 0.000 0.194 57 E C 2.163 178.640 176.600 -0.204 0.000 0.994 57 E CA 1.369 57.683 56.400 -0.145 0.000 0.801 57 E CB -0.444 29.201 29.700 -0.092 0.000 0.743 57 E HN 0.744 nan 8.360 nan 0.000 0.453 58 C N 0.737 119.862 119.300 -0.291 0.000 2.432 58 C HA -0.125 4.335 4.460 0.001 0.000 0.277 58 C C 2.657 177.396 174.990 -0.419 0.000 1.249 58 C CA 0.303 59.124 59.018 -0.328 0.000 1.725 58 C CB -0.943 26.594 27.740 -0.339 0.000 2.028 58 C HN 0.429 nan 8.230 nan 0.000 0.477 59 L N 1.599 122.396 121.223 -0.711 0.000 2.012 59 L HA -0.157 4.183 4.340 0.001 0.000 0.210 59 L C 2.427 179.148 176.870 -0.248 0.000 1.073 59 L CA 1.971 56.490 54.840 -0.534 0.000 0.748 59 L CB -0.784 40.891 42.059 -0.641 0.000 0.891 59 L HN 0.248 nan 8.230 nan 0.000 0.431 60 K N -0.705 119.583 120.400 -0.187 0.000 2.044 60 K HA -0.208 4.112 4.320 0.001 0.000 0.210 60 K C 2.205 178.774 176.600 -0.051 0.000 1.049 60 K CA 2.082 58.324 56.287 -0.075 0.000 0.927 60 K CB -0.157 32.312 32.500 -0.052 0.000 0.713 60 K HN 0.313 nan 8.250 nan 0.000 0.443 61 R N 0.263 120.715 120.500 -0.080 0.000 2.148 61 R HA -0.044 4.296 4.340 0.001 0.000 0.227 61 R C 1.741 178.000 176.300 -0.068 0.000 1.103 61 R CA 0.850 56.914 56.100 -0.059 0.000 0.983 61 R CB -0.050 30.208 30.300 -0.070 0.000 0.874 61 R HN 0.167 nan 8.270 nan 0.000 0.451 62 L N 0.189 121.355 121.223 -0.096 0.000 2.592 62 L HA 0.091 4.432 4.340 0.001 0.000 0.227 62 L C 0.110 176.923 176.870 -0.094 0.000 1.127 62 L CA 0.046 54.838 54.840 -0.080 0.000 0.884 62 L CB 0.195 42.213 42.059 -0.068 0.000 1.065 62 L HN -0.008 nan 8.230 nan 0.000 0.457 63 T N 0.533 115.011 114.554 -0.127 0.000 2.817 63 T HA 0.328 4.679 4.350 0.001 0.000 0.293 63 T C 0.038 174.506 174.700 -0.387 0.000 0.964 63 T CA -0.152 61.821 62.100 -0.212 0.000 1.085 63 T CB 2.304 71.063 68.868 -0.181 0.000 0.921 63 T HN -0.236 nan 8.240 nan 0.000 0.502 64 V N 5.076 124.784 119.914 -0.343 0.000 2.427 64 V HA 0.286 4.406 4.120 0.001 0.000 0.286 64 V C -0.218 175.637 176.094 -0.397 0.000 1.034 64 V CA -0.815 61.311 62.300 -0.290 0.000 0.893 64 V CB 0.992 32.763 31.823 -0.086 0.000 0.982 64 V HN 0.828 nan 8.190 nan 0.000 0.452 65 H N 2.761 121.859 119.070 0.047 0.000 2.511 65 H HA 0.368 4.924 4.556 0.000 0.000 0.328 65 H C 0.467 175.826 175.328 0.051 0.000 1.044 65 H CA -0.413 55.663 56.048 0.047 0.000 1.212 65 H CB 1.643 31.425 29.762 0.034 0.000 1.428 65 H HN 0.774 nan 8.280 nan 0.000 0.483 66 T N -1.246 113.395 114.554 0.145 0.000 2.698 66 T HA 0.085 4.435 4.350 0.001 0.000 0.295 66 T C 1.770 176.529 174.700 0.099 0.000 1.007 66 T CA -0.629 61.535 62.100 0.107 0.000 0.980 66 T CB 0.543 69.464 68.868 0.089 0.000 1.036 66 T HN 0.212 nan 8.240 nan 0.000 0.526 67 V N 1.816 121.773 119.914 0.072 0.000 2.295 67 V HA -0.119 4.001 4.120 0.001 0.000 0.246 67 V C 1.945 178.062 176.094 0.038 0.000 1.049 67 V CA 2.284 64.615 62.300 0.052 0.000 1.024 67 V CB -1.069 30.777 31.823 0.038 0.000 0.648 67 V HN 1.048 nan 8.190 nan 0.000 0.447 68 D N 0.043 120.460 120.400 0.029 0.000 2.413 68 D HA 0.280 4.921 4.640 0.001 0.000 0.237 68 D C 1.314 177.634 176.300 0.034 0.000 1.171 68 D CA 0.549 54.557 54.000 0.015 0.000 0.839 68 D CB -0.424 40.366 40.800 -0.016 0.000 0.950 68 D HN 0.430 nan 8.370 nan 0.000 0.499 69 G N 0.318 109.153 108.800 0.058 0.000 2.160 69 G HA2 -0.252 3.709 3.960 0.001 0.000 0.251 69 G HA3 -0.252 3.709 3.960 0.001 0.000 0.251 69 G C -0.031 174.929 174.900 0.101 0.000 1.008 69 G CA -0.144 45.001 45.100 0.075 0.000 0.724 69 G HN 0.397 nan 8.290 nan 0.000 0.514 70 I N 0.950 121.583 120.570 0.105 0.000 2.371 70 I HA 0.279 4.449 4.170 0.001 0.000 0.290 70 I C -0.121 176.084 176.117 0.147 0.000 1.028 70 I CA -0.749 60.619 61.300 0.113 0.000 1.345 70 I CB 1.011 39.066 38.000 0.092 0.000 1.407 70 I HN -0.045 nan 8.210 nan 0.000 0.501 71 D N 7.127 127.621 120.400 0.158 0.000 2.280 71 D HA 0.453 5.094 4.640 0.001 0.000 0.243 71 D C -0.060 176.312 176.300 0.120 0.000 1.129 71 D CA 0.039 54.126 54.000 0.144 0.000 0.848 71 D CB 1.171 42.076 40.800 0.175 0.000 1.107 71 D HN 0.266 nan 8.370 nan 0.000 0.471 72 I N 3.283 123.893 120.570 0.066 0.000 2.382 72 I HA 0.226 4.396 4.170 0.001 0.000 0.286 72 I C 0.259 176.402 176.117 0.043 0.000 1.002 72 I CA -1.112 60.283 61.300 0.157 0.000 1.135 72 I CB 1.359 39.468 38.000 0.182 0.000 1.288 72 I HN 0.112 nan 8.210 nan 0.000 0.448 73 V N 4.740 124.663 119.914 0.015 0.000 2.997 73 V HA 0.488 4.608 4.120 0.001 0.000 0.311 73 V C -1.695 174.297 176.094 -0.169 0.000 1.066 73 V CA -1.143 61.068 62.300 -0.148 0.000 1.039 73 V CB 0.716 32.387 31.823 -0.254 0.000 1.081 73 V HN 0.565 nan 8.190 nan 0.000 0.467 74 P HA 0.069 nan 4.420 nan 0.000 0.222 74 P C 0.171 177.425 177.300 -0.076 0.000 1.153 74 P CA 1.062 64.131 63.100 -0.051 0.000 0.798 74 P CB 0.381 32.123 31.700 0.070 0.000 0.796 75 M N -0.665 118.830 119.600 -0.176 0.000 2.326 75 M HA 0.391 4.871 4.480 0.001 0.000 0.292 75 M C -1.748 174.312 176.300 -0.400 0.000 1.081 75 M CA -0.919 54.242 55.300 -0.233 0.000 0.919 75 M CB 2.041 34.421 32.600 -0.366 0.000 1.634 75 M HN -0.310 nan 8.290 nan 0.000 0.451 76 Y N 2.417 122.661 120.300 -0.093 0.000 2.487 76 Y HA 0.699 5.249 4.550 0.000 0.000 0.337 76 Y C -0.186 175.686 175.900 -0.048 0.000 1.076 76 Y CA -0.554 57.533 58.100 -0.021 0.000 1.115 76 Y CB 1.908 40.420 38.460 0.088 0.000 1.235 76 Y HN 0.611 nan 8.280 nan 0.000 0.468 77 R N 1.306 121.773 120.500 -0.055 0.000 2.912 77 R HA 0.391 4.732 4.340 0.001 0.000 0.262 77 R C -1.976 173.872 176.300 -0.753 0.000 1.057 77 R CA -1.968 53.910 56.100 -0.370 0.000 0.981 77 R CB 1.266 31.406 30.300 -0.266 0.000 1.201 77 R HN 0.284 nan 8.270 nan 0.000 0.484 78 P HA -0.278 nan 4.420 nan 0.000 0.216 78 P C 0.359 177.435 177.300 -0.373 0.000 1.154 78 P CA 1.712 64.297 63.100 -0.857 0.000 0.865 78 P CB 0.063 31.492 31.700 -0.453 0.000 0.789 79 K N -0.660 119.602 120.400 -0.230 0.000 2.360 79 K HA -0.147 4.174 4.320 0.001 0.000 0.201 79 K C 0.913 177.479 176.600 -0.057 0.000 1.046 79 K CA 1.534 57.754 56.287 -0.112 0.000 0.945 79 K CB -0.698 31.749 32.500 -0.089 0.000 0.750 79 K HN 0.097 nan 8.250 nan 0.000 0.464 80 D N 1.094 121.471 120.400 -0.037 0.000 2.347 80 D HA 0.062 4.702 4.640 0.001 0.000 0.213 80 D C 0.264 176.606 176.300 0.070 0.000 0.985 80 D CA 0.545 54.582 54.000 0.062 0.000 0.879 80 D CB 0.409 41.326 40.800 0.195 0.000 0.919 80 D HN 0.407 nan 8.370 nan 0.000 0.526 81 A N 1.587 124.443 122.820 0.060 0.000 2.350 81 A HA 0.570 4.890 4.320 0.001 0.000 0.324 81 A C -2.411 175.196 177.584 0.039 0.000 1.118 81 A CA -1.346 50.742 52.037 0.086 0.000 0.783 81 A CB 1.090 20.211 19.000 0.202 0.000 1.236 81 A HN -0.172 nan 8.150 nan 0.000 0.457 82 P HA 0.098 nan 4.420 nan 0.000 0.267 82 P C 0.855 178.160 177.300 0.009 0.000 1.200 82 P CA -0.268 62.836 63.100 0.007 0.000 0.772 82 P CB 0.779 32.476 31.700 -0.005 0.000 0.855 83 K N 2.353 122.754 120.400 0.002 0.000 2.025 83 K HA -0.069 4.251 4.320 0.001 0.000 0.207 83 K C 0.858 177.457 176.600 -0.003 0.000 1.049 83 K CA 1.320 57.608 56.287 0.003 0.000 0.933 83 K CB -0.438 32.062 32.500 0.000 0.000 0.714 83 K HN 0.477 nan 8.250 nan 0.000 0.438 84 K N 1.011 121.405 120.400 -0.009 0.000 2.234 84 K HA 0.321 4.642 4.320 0.001 0.000 0.277 84 K C 0.865 177.434 176.600 -0.052 0.000 1.038 84 K CA -0.209 56.065 56.287 -0.021 0.000 0.888 84 K CB 1.206 33.705 32.500 -0.003 0.000 1.091 84 K HN 0.128 nan 8.250 nan 0.000 0.467 85 L N 1.981 123.146 121.223 -0.098 0.000 2.395 85 L HA 0.041 4.381 4.340 0.001 0.000 0.218 85 L C 1.038 177.792 176.870 -0.193 0.000 1.130 85 L CA 0.372 55.133 54.840 -0.131 0.000 0.826 85 L CB -0.658 41.315 42.059 -0.143 0.000 0.941 85 L HN 1.008 nan 8.230 nan 0.000 0.451 86 G N -0.574 108.067 108.800 -0.264 0.000 2.814 86 G HA2 -0.257 3.703 3.960 0.001 0.000 0.677 86 G HA3 -0.257 3.703 3.960 0.001 0.000 0.677 86 G C -1.140 173.461 174.900 -0.499 0.000 1.429 86 G CA -0.721 44.236 45.100 -0.238 0.000 0.868 86 G HN 0.054 nan 8.290 nan 0.000 0.553 87 Y N 0.178 120.437 120.300 -0.069 0.000 2.462 87 Y HA 0.623 5.173 4.550 0.000 0.000 0.346 87 Y C -1.699 174.136 175.900 -0.108 0.000 0.976 87 Y CA -1.823 56.232 58.100 -0.075 0.000 1.044 87 Y CB 2.461 40.875 38.460 -0.077 0.000 1.230 87 Y HN 0.542 nan 8.280 nan 0.000 0.455 88 P HA 0.183 nan 4.420 nan 0.000 0.275 88 P C 0.611 177.901 177.300 -0.018 0.000 1.227 88 P CA 0.481 63.590 63.100 0.014 0.000 0.781 88 P CB 1.123 32.849 31.700 0.043 0.000 0.906 89 G N 0.749 109.510 108.800 -0.065 0.000 2.148 89 G HA2 -0.157 3.803 3.960 0.001 0.000 0.254 89 G HA3 -0.157 3.803 3.960 0.001 0.000 0.254 89 G C -0.213 174.446 174.900 -0.403 0.000 0.981 89 G CA 0.115 45.170 45.100 -0.074 0.000 0.670 89 G HN 0.588 nan 8.290 nan 0.000 0.528 90 V N -0.178 119.293 119.914 -0.738 0.000 2.888 90 V HA 0.816 4.936 4.120 0.001 0.000 0.309 90 V C 0.686 176.264 176.094 -0.860 0.000 1.114 90 V CA -0.779 61.145 62.300 -0.628 0.000 0.940 90 V CB 1.717 33.407 31.823 -0.222 0.000 1.021 90 V HN 1.420 nan 8.190 nan 0.000 0.426 91 A N 5.280 127.770 122.820 -0.550 0.000 2.561 91 A HA 0.363 4.684 4.320 0.001 0.000 0.234 91 A C -0.847 176.685 177.584 -0.085 0.000 1.055 91 A CA -0.170 51.788 52.037 -0.131 0.000 0.756 91 A CB -0.158 18.897 19.000 0.091 0.000 0.986 91 A HN 0.789 nan 8.150 nan 0.000 0.505 92 P HA 0.131 nan 4.420 nan 0.000 0.245 92 P C 0.136 177.589 177.300 0.255 0.000 1.212 92 P CA 0.197 63.364 63.100 0.111 0.000 0.774 92 P CB -0.192 31.549 31.700 0.069 0.000 0.999 93 F N -2.204 117.780 119.950 0.056 0.000 2.656 93 F HA -0.277 4.250 4.527 0.001 0.000 0.381 93 F C 1.718 177.541 175.800 0.038 0.000 0.603 93 F CA 1.311 59.349 58.000 0.064 0.000 1.335 93 F CB -2.801 36.258 39.000 0.099 0.000 1.836 93 F HN -0.087 nan 8.300 nan 0.000 0.290 94 T N -0.351 114.290 114.554 0.146 0.000 2.624 94 T HA -0.281 4.069 4.350 0.001 0.000 0.268 94 T C 1.907 176.629 174.700 0.036 0.000 1.041 94 T CA 1.917 64.058 62.100 0.068 0.000 1.159 94 T CB -0.215 68.666 68.868 0.022 0.000 0.863 94 T HN 0.407 nan 8.240 nan 0.000 0.434 95 R N 1.198 121.706 120.500 0.014 0.000 2.120 95 R HA 0.146 4.486 4.340 0.001 0.000 0.234 95 R C 1.249 177.562 176.300 0.021 0.000 1.123 95 R CA 0.965 57.061 56.100 -0.006 0.000 0.975 95 R CB -0.225 30.053 30.300 -0.037 0.000 0.866 95 R HN 0.528 nan 8.270 nan 0.000 0.446 96 G N -2.184 106.662 108.800 0.077 0.000 2.358 96 G HA2 0.047 4.007 3.960 0.001 0.000 0.301 96 G HA3 0.047 4.007 3.960 0.001 0.000 0.301 96 G C -0.211 174.824 174.900 0.224 0.000 1.539 96 G CA -0.608 44.556 45.100 0.107 0.000 0.893 96 G HN -0.101 nan 8.290 nan 0.000 0.636 97 T N -0.051 114.648 114.554 0.241 0.000 3.044 97 T HA 0.230 4.580 4.350 0.001 0.000 0.237 97 T C 1.106 175.952 174.700 0.243 0.000 1.001 97 T CA 1.474 63.782 62.100 0.347 0.000 1.160 97 T CB -0.004 69.005 68.868 0.235 0.000 0.889 97 T HN 0.625 nan 8.240 nan 0.000 0.442 98 T N 3.211 117.860 114.554 0.159 0.000 2.744 98 T HA 0.516 4.867 4.350 0.001 0.000 0.291 98 T C -0.195 174.566 174.700 0.101 0.000 0.957 98 T CA -0.397 61.778 62.100 0.125 0.000 1.002 98 T CB 1.541 70.472 68.868 0.105 0.000 0.919 98 T HN -0.059 nan 8.240 nan 0.000 0.468 99 V N 5.144 125.112 119.914 0.090 0.000 2.572 99 V HA 0.188 4.308 4.120 0.001 0.000 0.291 99 V C 0.842 176.975 176.094 0.064 0.000 1.039 99 V CA -0.293 62.050 62.300 0.072 0.000 1.055 99 V CB 0.238 32.098 31.823 0.062 0.000 0.969 99 V HN 0.722 nan 8.190 nan 0.000 0.482 100 R N 3.698 124.234 120.500 0.061 0.000 2.410 100 R HA 0.242 4.582 4.340 0.001 0.000 0.288 100 R C 0.831 177.157 176.300 0.044 0.000 1.051 100 R CA -0.384 55.750 56.100 0.057 0.000 1.021 100 R CB 0.469 30.808 30.300 0.065 0.000 1.032 100 R HN 0.849 nan 8.270 nan 0.000 0.481 101 N N 1.284 120.005 118.700 0.035 0.000 2.336 101 N HA 0.054 4.794 4.740 0.001 0.000 0.189 101 N C 0.803 176.326 175.510 0.021 0.000 1.113 101 N CA 0.483 53.549 53.050 0.027 0.000 0.858 101 N CB 0.869 39.369 38.487 0.021 0.000 0.970 101 N HN 0.829 nan 8.380 nan 0.000 0.471 102 G N -0.516 108.298 108.800 0.023 0.000 2.159 102 G HA2 -0.217 3.743 3.960 0.001 0.000 0.227 102 G HA3 -0.217 3.743 3.960 0.001 0.000 0.227 102 G C -0.847 174.058 174.900 0.008 0.000 0.986 102 G CA 0.059 45.170 45.100 0.019 0.000 0.651 102 G HN 0.431 nan 8.290 nan 0.000 0.523 103 D N 0.027 120.427 120.400 -0.000 0.000 2.312 103 D HA 0.507 5.147 4.640 0.001 0.000 0.248 103 D C 2.045 178.324 176.300 -0.035 0.000 1.086 103 D CA 0.012 54.002 54.000 -0.017 0.000 0.948 103 D CB 0.705 41.491 40.800 -0.023 0.000 1.162 103 D HN 0.320 nan 8.370 nan 0.000 0.446 104 M N -0.567 119.001 119.600 -0.053 0.000 2.132 104 M HA -0.047 4.434 4.480 0.001 0.000 0.263 104 M C -0.247 175.949 176.300 -0.175 0.000 1.065 104 M CA 1.351 56.602 55.300 -0.082 0.000 1.122 104 M CB 0.046 32.603 32.600 -0.070 0.000 1.365 104 M HN -0.042 nan 8.290 nan 0.000 0.411 105 D N 2.282 122.563 120.400 -0.198 0.000 2.508 105 D HA 0.354 4.994 4.640 0.001 0.000 0.224 105 D C 0.878 177.023 176.300 -0.258 0.000 1.171 105 D CA 0.209 54.016 54.000 -0.322 0.000 1.006 105 D CB 1.195 41.848 40.800 -0.245 0.000 1.073 105 D HN 0.440 nan 8.370 nan 0.000 0.513 106 A N 2.469 125.133 122.820 -0.260 0.000 1.984 106 A HA 0.106 4.426 4.320 0.001 0.000 0.214 106 A C 0.631 178.272 177.584 0.096 0.000 1.173 106 A CA 0.200 52.228 52.037 -0.015 0.000 0.673 106 A CB -0.091 19.000 19.000 0.152 0.000 0.830 106 A HN 0.582 nan 8.150 nan 0.000 0.453 107 W N -1.183 120.110 121.300 -0.013 0.000 2.671 107 W HA 0.666 5.326 4.660 0.000 0.000 0.360 107 W C -0.913 175.602 176.519 -0.007 0.000 1.128 107 W CA -1.136 56.201 57.345 -0.014 0.000 1.184 107 W CB 0.313 29.756 29.460 -0.027 0.000 1.415 107 W HN -0.040 nan 8.180 nan 0.000 0.604 108 D N 1.000 121.547 120.400 0.245 0.000 2.295 108 D HA 0.178 4.819 4.640 0.001 0.000 0.248 108 D C -0.796 175.623 176.300 0.198 0.000 1.154 108 D CA -0.474 53.598 54.000 0.121 0.000 0.857 108 D CB 1.402 42.264 40.800 0.102 0.000 1.117 108 D HN 0.287 nan 8.370 nan 0.000 0.468 109 V N 6.081 126.042 119.914 0.079 0.000 2.387 109 V HA 0.182 4.302 4.120 0.001 0.000 0.260 109 V C 0.845 176.995 176.094 0.092 0.000 1.054 109 V CA -0.307 62.064 62.300 0.119 0.000 0.967 109 V CB 0.136 31.980 31.823 0.035 0.000 1.036 109 V HN 0.409 nan 8.190 nan 0.000 0.481 110 R N 4.572 125.132 120.500 0.100 0.000 2.233 110 R HA 0.620 4.960 4.340 0.001 0.000 0.334 110 R C 0.169 176.505 176.300 0.060 0.000 1.037 110 R CA -0.323 55.821 56.100 0.072 0.000 0.920 110 R CB 0.730 31.061 30.300 0.051 0.000 1.137 110 R HN 0.770 nan 8.270 nan 0.000 0.492 111 A N 4.357 127.219 122.820 0.069 0.000 2.425 111 A HA 0.222 4.542 4.320 0.001 0.000 0.249 111 A C -0.613 176.967 177.584 -0.008 0.000 1.084 111 A CA -0.528 51.516 52.037 0.013 0.000 0.781 111 A CB 0.469 19.479 19.000 0.016 0.000 1.019 111 A HN 0.711 nan 8.150 nan 0.000 0.490 112 L N 3.784 124.955 121.223 -0.087 0.000 2.257 112 L HA 0.402 4.742 4.340 0.001 0.000 0.290 112 L C -0.633 176.148 176.870 -0.150 0.000 1.044 112 L CA 0.195 55.026 54.840 -0.015 0.000 0.810 112 L CB 0.340 42.424 42.059 0.042 0.000 1.193 112 L HN 0.670 nan 8.230 nan 0.000 0.425 113 H N 5.068 124.225 119.070 0.145 0.000 2.587 113 H HA 0.335 4.892 4.556 0.001 0.000 0.325 113 H C -0.500 174.907 175.328 0.131 0.000 1.012 113 H CA -0.252 55.877 56.048 0.135 0.000 1.213 113 H CB 1.636 31.464 29.762 0.110 0.000 1.431 113 H HN 0.756 nan 8.280 nan 0.000 0.492 114 E N 1.201 121.530 120.200 0.216 0.000 2.641 114 E HA -0.002 4.349 4.350 0.001 0.000 0.224 114 E C -0.352 176.334 176.600 0.144 0.000 0.951 114 E CA -0.125 56.368 56.400 0.155 0.000 1.102 114 E CB 1.044 30.838 29.700 0.156 0.000 1.091 114 E HN 0.424 nan 8.360 nan 0.000 0.507 115 D N 1.621 122.123 120.400 0.170 0.000 2.312 115 D HA 0.041 4.681 4.640 0.001 0.000 0.252 115 D C -1.523 174.828 176.300 0.084 0.000 1.150 115 D CA -2.264 51.803 54.000 0.111 0.000 0.870 115 D CB 1.550 42.421 40.800 0.118 0.000 1.153 115 D HN -0.118 nan 8.370 nan 0.000 0.457 116 P HA -0.115 nan 4.420 nan 0.000 0.215 116 P C 0.271 177.549 177.300 -0.036 0.000 1.157 116 P CA 0.491 63.597 63.100 0.010 0.000 0.863 116 P CB -0.021 31.681 31.700 0.005 0.000 0.787 117 D N 1.047 121.425 120.400 -0.036 0.000 2.581 117 D HA -0.120 4.521 4.640 0.001 0.000 0.238 117 D C 1.381 177.671 176.300 -0.018 0.000 1.145 117 D CA 0.301 54.276 54.000 -0.041 0.000 0.866 117 D CB 0.608 41.401 40.800 -0.012 0.000 1.151 117 D HN 0.253 nan 8.370 nan 0.000 0.500 118 E N 3.587 123.710 120.200 -0.128 0.000 2.158 118 E HA -0.186 4.164 4.350 0.001 0.000 0.191 118 E C 1.682 178.267 176.600 -0.025 0.000 0.982 118 E CA 1.267 57.593 56.400 -0.123 0.000 0.823 118 E CB -0.526 28.995 29.700 -0.298 0.000 0.766 118 E HN 0.496 nan 8.360 nan 0.000 0.468 119 K N 1.326 121.730 120.400 0.006 0.000 2.031 119 K HA -0.044 4.276 4.320 0.001 0.000 0.205 119 K C 1.902 178.540 176.600 0.063 0.000 1.049 119 K CA 1.115 57.419 56.287 0.029 0.000 0.939 119 K CB -1.364 31.157 32.500 0.035 0.000 0.717 119 K HN 0.174 nan 8.250 nan 0.000 0.438 120 F N 2.306 122.242 119.950 -0.024 0.000 2.046 120 F HA -0.218 4.309 4.527 0.001 0.000 0.297 120 F C 2.541 178.344 175.800 0.006 0.000 1.123 120 F CA 2.801 60.800 58.000 -0.002 0.000 1.199 120 F CB -0.437 38.566 39.000 0.005 0.000 0.972 120 F HN 0.239 nan 8.300 nan 0.000 0.474 121 T N 0.635 115.309 114.554 0.200 0.000 2.720 121 T HA -0.257 4.093 4.350 0.001 0.000 0.268 121 T C 2.136 176.778 174.700 -0.097 0.000 1.037 121 T CA 1.653 63.800 62.100 0.079 0.000 1.144 121 T CB -0.417 68.515 68.868 0.108 0.000 0.864 121 T HN 0.250 nan 8.240 nan 0.000 0.444 122 R N 1.126 121.581 120.500 -0.075 0.000 2.081 122 R HA -0.084 4.256 4.340 0.001 0.000 0.235 122 R C 2.296 178.527 176.300 -0.116 0.000 1.131 122 R CA 1.398 57.442 56.100 -0.094 0.000 0.960 122 R CB -0.068 30.201 30.300 -0.052 0.000 0.856 122 R HN 0.354 nan 8.270 nan 0.000 0.436 123 K N -0.064 120.259 120.400 -0.128 0.000 2.057 123 K HA -0.075 4.245 4.320 0.001 0.000 0.206 123 K C 2.172 178.663 176.600 -0.182 0.000 1.050 123 K CA 1.243 57.441 56.287 -0.148 0.000 0.935 123 K CB -0.171 32.228 32.500 -0.167 0.000 0.715 123 K HN 0.192 nan 8.250 nan 0.000 0.439 124 A N 1.932 124.599 122.820 -0.254 0.000 1.865 124 A HA -0.198 4.122 4.320 0.001 0.000 0.217 124 A C 2.201 179.759 177.584 -0.043 0.000 1.191 124 A CA 1.511 53.451 52.037 -0.162 0.000 0.623 124 A CB -0.762 18.182 19.000 -0.093 0.000 0.826 124 A HN 0.176 nan 8.150 nan 0.000 0.444 125 I N -0.994 119.438 120.570 -0.230 0.000 2.118 125 I HA -0.282 3.888 4.170 0.001 0.000 0.241 125 I C 2.466 178.529 176.117 -0.090 0.000 1.070 125 I CA 1.628 62.772 61.300 -0.260 0.000 1.327 125 I CB -0.328 37.455 38.000 -0.362 0.000 1.034 125 I HN 0.417 nan 8.210 nan 0.000 0.405 126 L N 0.888 122.059 121.223 -0.087 0.000 2.046 126 L HA -0.240 4.100 4.340 0.001 0.000 0.208 126 L C 2.403 179.254 176.870 -0.032 0.000 1.077 126 L CA 1.985 56.794 54.840 -0.053 0.000 0.747 126 L CB -0.659 41.367 42.059 -0.055 0.000 0.896 126 L HN 0.197 nan 8.230 nan 0.000 0.432 127 E N -0.475 119.704 120.200 -0.035 0.000 2.038 127 E HA -0.149 4.202 4.350 0.001 0.000 0.195 127 E C 2.135 178.741 176.600 0.009 0.000 1.000 127 E CA 1.647 58.037 56.400 -0.017 0.000 0.803 127 E CB -0.921 28.760 29.700 -0.032 0.000 0.750 127 E HN 0.501 nan 8.360 nan 0.000 0.448 128 G N 0.644 109.464 108.800 0.035 0.000 2.446 128 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 128 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 128 G C 1.614 176.540 174.900 0.043 0.000 1.168 128 G CA 1.044 46.181 45.100 0.062 0.000 0.771 128 G HN 0.315 nan 8.290 nan 0.000 0.551 129 L N 0.195 121.435 121.223 0.028 0.000 2.201 129 L HA -0.017 4.323 4.340 0.001 0.000 0.212 129 L C 2.662 179.534 176.870 0.004 0.000 1.105 129 L CA 1.002 55.851 54.840 0.015 0.000 0.775 129 L CB -0.251 41.810 42.059 0.002 0.000 0.913 129 L HN 0.340 nan 8.230 nan 0.000 0.440 130 E N -0.288 119.912 120.200 0.000 0.000 2.481 130 E HA -0.037 4.314 4.350 0.001 0.000 0.195 130 E C 0.702 177.302 176.600 0.000 0.000 1.047 130 E CA 0.177 56.576 56.400 -0.003 0.000 0.867 130 E CB 0.248 29.945 29.700 -0.005 0.000 0.858 130 E HN 0.295 nan 8.360 nan 0.000 0.513 131 R N -0.244 120.259 120.500 0.006 0.000 3.026 131 R HA 0.213 4.554 4.340 0.001 0.000 0.317 131 R C 0.259 176.563 176.300 0.006 0.000 1.278 131 R CA 0.172 56.277 56.100 0.008 0.000 1.407 131 R CB 0.844 31.154 30.300 0.017 0.000 1.368 131 R HN 0.217 nan 8.270 nan 0.000 0.612 132 G N -0.171 108.626 108.800 -0.005 0.000 2.212 132 G HA2 -0.289 3.671 3.960 0.001 0.000 0.266 132 G HA3 -0.289 3.671 3.960 0.001 0.000 0.266 132 G C 0.305 175.197 174.900 -0.013 0.000 0.978 132 G CA 0.209 45.298 45.100 -0.019 0.000 0.632 132 G HN 0.269 nan 8.290 nan 0.000 0.537 133 V N 1.729 121.650 119.914 0.012 0.000 2.614 133 V HA 0.456 4.576 4.120 0.001 0.000 0.291 133 V C 1.676 177.782 176.094 0.020 0.000 1.049 133 V CA 1.161 63.479 62.300 0.029 0.000 1.038 133 V CB 1.362 33.224 31.823 0.066 0.000 0.980 133 V HN 0.639 nan 8.190 nan 0.000 0.481 134 T N -0.789 113.777 114.554 0.019 0.000 2.971 134 T HA 0.226 4.576 4.350 0.001 0.000 0.252 134 T C 0.511 175.231 174.700 0.034 0.000 1.022 134 T CA 0.425 62.533 62.100 0.014 0.000 0.980 134 T CB 0.294 69.159 68.868 -0.007 0.000 1.044 134 T HN 0.790 nan 8.240 nan 0.000 0.501 135 S N 0.501 116.232 115.700 0.051 0.000 2.570 135 S HA 0.739 5.210 4.470 0.001 0.000 0.270 135 S C -1.515 173.136 174.600 0.084 0.000 1.149 135 S CA -1.137 57.099 58.200 0.061 0.000 0.837 135 S CB 1.400 64.631 63.200 0.053 0.000 1.124 135 S HN 0.273 nan 8.310 nan 0.000 0.465 136 L N 1.316 122.595 121.223 0.093 0.000 2.334 136 L HA 0.738 5.078 4.340 0.001 0.000 0.273 136 L C -1.193 175.754 176.870 0.128 0.000 1.013 136 L CA -1.038 53.885 54.840 0.139 0.000 0.816 136 L CB 1.691 43.828 42.059 0.130 0.000 1.278 136 L HN 0.686 nan 8.230 nan 0.000 0.431 137 L N 3.382 124.707 121.223 0.171 0.000 2.454 137 L HA 0.497 4.838 4.340 0.001 0.000 0.258 137 L C -1.354 175.688 176.870 0.287 0.000 1.025 137 L CA -0.093 54.849 54.840 0.170 0.000 0.901 137 L CB 1.100 43.202 42.059 0.071 0.000 1.210 137 L HN 0.371 nan 8.230 nan 0.000 0.457 138 L N 4.000 125.384 121.223 0.268 0.000 2.275 138 L HA 0.515 4.855 4.340 0.001 0.000 0.288 138 L C 0.329 177.285 176.870 0.144 0.000 1.046 138 L CA -0.041 54.932 54.840 0.222 0.000 0.805 138 L CB 1.363 43.502 42.059 0.134 0.000 1.193 138 L HN 0.515 nan 8.230 nan 0.000 0.426 139 R N 2.568 123.060 120.500 -0.013 0.000 2.216 139 R HA 0.487 4.827 4.340 0.001 0.000 0.332 139 R C -1.293 174.859 176.300 -0.247 0.000 1.056 139 R CA -0.365 55.433 56.100 -0.503 0.000 0.901 139 R CB 0.640 30.564 30.300 -0.626 0.000 1.039 139 R HN 0.433 nan 8.270 nan 0.000 0.456 140 V N 5.710 125.474 119.914 -0.249 0.000 2.294 140 V HA 0.336 4.456 4.120 0.001 0.000 0.272 140 V C -0.273 175.752 176.094 -0.115 0.000 1.027 140 V CA -0.260 61.969 62.300 -0.118 0.000 0.823 140 V CB 0.999 32.776 31.823 -0.076 0.000 1.030 140 V HN 0.836 nan 8.190 nan 0.000 0.457 141 D N 4.905 125.265 120.400 -0.068 0.000 2.692 141 D HA 0.388 5.028 4.640 0.001 0.000 0.303 141 D C -2.055 174.236 176.300 -0.014 0.000 1.278 141 D CA -0.954 53.038 54.000 -0.014 0.000 0.852 141 D CB 2.651 43.457 40.800 0.011 0.000 1.375 141 D HN 0.096 nan 8.370 nan 0.000 0.453 142 P HA -0.045 nan 4.420 nan 0.000 0.217 142 P C 0.536 177.790 177.300 -0.076 0.000 1.150 142 P CA 1.314 64.357 63.100 -0.095 0.000 0.832 142 P CB 0.174 31.739 31.700 -0.226 0.000 0.787 143 D N -1.507 118.853 120.400 -0.067 0.000 2.328 143 D HA 0.232 4.872 4.640 0.001 0.000 0.221 143 D C 0.821 177.125 176.300 0.007 0.000 1.072 143 D CA -0.200 53.784 54.000 -0.028 0.000 0.850 143 D CB 0.064 40.846 40.800 -0.030 0.000 0.922 143 D HN 0.106 nan 8.370 nan 0.000 0.516 144 A N 0.238 123.057 122.820 -0.000 0.000 3.884 144 A HA 0.606 4.927 4.320 0.001 0.000 0.170 144 A C -0.394 177.206 177.584 0.025 0.000 0.825 144 A CA -0.709 51.335 52.037 0.012 0.000 0.978 144 A CB 0.119 19.098 19.000 -0.036 0.000 1.566 144 A HN 0.079 nan 8.150 nan 0.000 0.770 145 I N 1.534 122.121 120.570 0.028 0.000 2.396 145 I HA 0.405 4.575 4.170 0.001 0.000 0.289 145 I C 0.827 176.980 176.117 0.061 0.000 1.056 145 I CA -0.110 61.223 61.300 0.055 0.000 1.365 145 I CB 1.065 39.102 38.000 0.063 0.000 1.407 145 I HN 0.573 nan 8.210 nan 0.000 0.509 146 A N 8.943 131.837 122.820 0.123 0.000 2.445 146 A HA 0.275 4.596 4.320 0.001 0.000 0.242 146 A C -1.441 176.179 177.584 0.060 0.000 1.075 146 A CA -1.011 51.087 52.037 0.103 0.000 0.777 146 A CB -0.206 18.906 19.000 0.187 0.000 1.013 146 A HN 0.583 nan 8.150 nan 0.000 0.493 147 P HA -0.192 nan 4.420 nan 0.000 0.218 147 P C 1.132 178.416 177.300 -0.026 0.000 1.148 147 P CA 1.625 64.719 63.100 -0.011 0.000 0.822 147 P CB 0.080 31.769 31.700 -0.019 0.000 0.784 148 E N -0.740 119.409 120.200 -0.085 0.000 2.427 148 E HA -0.175 4.176 4.350 0.001 0.000 0.196 148 E C 0.842 177.333 176.600 -0.183 0.000 1.028 148 E CA 1.046 57.355 56.400 -0.151 0.000 0.864 148 E CB -0.951 28.604 29.700 -0.243 0.000 0.813 148 E HN 0.450 nan 8.360 nan 0.000 0.514 149 H N -0.411 118.661 119.070 0.005 0.000 2.586 149 H HA 0.165 4.721 4.556 0.001 0.000 0.273 149 H C 1.570 176.902 175.328 0.006 0.000 0.997 149 H CA -0.250 55.802 56.048 0.006 0.000 1.177 149 H CB 0.688 30.456 29.762 0.009 0.000 1.471 149 H HN 0.022 nan 8.280 nan 0.000 0.538 150 L N 1.064 122.347 121.223 0.100 0.000 2.046 150 L HA -0.171 4.170 4.340 0.001 0.000 0.208 150 L C 2.071 178.969 176.870 0.047 0.000 1.077 150 L CA 1.811 56.689 54.840 0.063 0.000 0.747 150 L CB -0.403 41.682 42.059 0.042 0.000 0.896 150 L HN 0.353 nan 8.230 nan 0.000 0.432 151 D N -0.858 119.566 120.400 0.040 0.000 2.117 151 D HA -0.264 4.377 4.640 0.001 0.000 0.197 151 D C 1.917 178.230 176.300 0.023 0.000 0.987 151 D CA 1.340 55.355 54.000 0.024 0.000 0.829 151 D CB 0.160 40.972 40.800 0.020 0.000 0.961 151 D HN 0.581 nan 8.370 nan 0.000 0.460 152 E N 0.041 120.269 120.200 0.047 0.000 2.150 152 E HA -0.136 4.215 4.350 0.001 0.000 0.193 152 E C 2.319 178.932 176.600 0.020 0.000 0.985 152 E CA 0.999 57.425 56.400 0.043 0.000 0.814 152 E CB 0.223 29.974 29.700 0.085 0.000 0.752 152 E HN 0.296 nan 8.360 nan 0.000 0.466 153 V N -1.302 118.625 119.914 0.022 0.000 2.951 153 V HA -0.034 4.087 4.120 0.001 0.000 0.255 153 V C 1.830 177.901 176.094 -0.038 0.000 1.088 153 V CA 0.878 63.171 62.300 -0.012 0.000 1.109 153 V CB -0.321 31.499 31.823 -0.006 0.000 0.724 153 V HN 0.142 nan 8.190 nan 0.000 0.471 154 L N 1.154 122.363 121.223 -0.023 0.000 2.629 154 L HA 0.190 4.530 4.340 0.001 0.000 0.230 154 L C 2.541 179.384 176.870 -0.046 0.000 1.151 154 L CA 0.783 55.602 54.840 -0.037 0.000 0.924 154 L CB -0.114 41.932 42.059 -0.022 0.000 1.137 154 L HN 0.432 nan 8.230 nan 0.000 0.457 155 S N 0.499 116.177 115.700 -0.037 0.000 2.383 155 S HA -0.203 4.268 4.470 0.001 0.000 0.229 155 S C 1.369 175.944 174.600 -0.042 0.000 1.030 155 S CA 1.691 59.870 58.200 -0.035 0.000 1.002 155 S CB -0.029 63.158 63.200 -0.022 0.000 0.829 155 S HN 0.494 nan 8.310 nan 0.000 0.467 156 D N 0.700 121.073 120.400 -0.045 0.000 2.349 156 D HA 0.152 4.793 4.640 0.001 0.000 0.214 156 D C -0.228 176.044 176.300 -0.047 0.000 1.063 156 D CA 0.101 54.076 54.000 -0.043 0.000 0.847 156 D CB 0.541 41.316 40.800 -0.042 0.000 0.933 156 D HN 0.258 nan 8.370 nan 0.000 0.513 157 V N 2.723 122.603 119.914 -0.055 0.000 2.405 157 V HA 0.079 4.199 4.120 0.001 0.000 0.264 157 V C 0.727 176.781 176.094 -0.068 0.000 1.048 157 V CA -0.348 61.919 62.300 -0.055 0.000 0.966 157 V CB 0.866 32.656 31.823 -0.055 0.000 1.015 157 V HN 0.034 nan 8.190 nan 0.000 0.477 158 L N 6.428 127.621 121.223 -0.051 0.000 2.485 158 L HA 0.181 4.521 4.340 0.001 0.000 0.279 158 L C 1.263 178.096 176.870 -0.062 0.000 1.124 158 L CA -0.143 54.665 54.840 -0.053 0.000 0.888 158 L CB 0.294 42.334 42.059 -0.031 0.000 1.217 158 L HN 0.662 nan 8.230 nan 0.000 0.464 159 L N 2.487 123.640 121.223 -0.117 0.000 2.362 159 L HA -0.124 4.217 4.340 0.001 0.000 0.219 159 L C 2.444 179.295 176.870 -0.033 0.000 1.134 159 L CA 0.569 55.315 54.840 -0.158 0.000 0.807 159 L CB -0.494 41.296 42.059 -0.449 0.000 0.927 159 L HN 0.735 nan 8.230 nan 0.000 0.447 160 E N 0.264 120.458 120.200 -0.009 0.000 2.230 160 E HA -0.134 4.216 4.350 0.001 0.000 0.192 160 E C 1.900 178.520 176.600 0.033 0.000 0.987 160 E CA 0.856 57.275 56.400 0.031 0.000 0.841 160 E CB 0.033 29.748 29.700 0.024 0.000 0.783 160 E HN 0.407 nan 8.360 nan 0.000 0.481 161 M N 0.796 120.407 119.600 0.018 0.000 2.552 161 M HA 0.169 4.649 4.480 0.001 0.000 0.264 161 M C 0.499 176.814 176.300 0.025 0.000 1.159 161 M CA 0.738 56.049 55.300 0.018 0.000 1.176 161 M CB -0.070 32.533 32.600 0.005 0.000 1.327 161 M HN -0.161 nan 8.290 nan 0.000 0.481 162 T N 1.764 116.333 114.554 0.026 0.000 2.807 162 T HA 0.334 4.684 4.350 0.001 0.000 0.279 162 T C -0.196 174.548 174.700 0.073 0.000 0.993 162 T CA -0.702 61.421 62.100 0.038 0.000 0.970 162 T CB 2.480 71.362 68.868 0.023 0.000 0.950 162 T HN 0.055 nan 8.240 nan 0.000 0.441 163 K N 2.848 123.294 120.400 0.077 0.000 2.234 163 K HA 0.543 4.863 4.320 0.001 0.000 0.282 163 K C -0.972 175.684 176.600 0.092 0.000 1.039 163 K CA -0.498 55.846 56.287 0.094 0.000 0.928 163 K CB 0.606 33.138 32.500 0.054 0.000 1.039 163 K HN 0.335 nan 8.250 nan 0.000 0.470 164 V N 3.838 123.827 119.914 0.124 0.000 2.513 164 V HA 0.326 4.446 4.120 0.001 0.000 0.299 164 V C -0.480 175.626 176.094 0.021 0.000 1.035 164 V CA -0.712 61.649 62.300 0.102 0.000 0.889 164 V CB 1.474 33.404 31.823 0.178 0.000 0.988 164 V HN 0.890 nan 8.190 nan 0.000 0.440 165 E N 3.226 123.444 120.200 0.029 0.000 2.248 165 E HA 0.723 5.073 4.350 0.001 0.000 0.267 165 E C -1.343 175.292 176.600 0.059 0.000 0.877 165 E CA -0.635 55.766 56.400 0.001 0.000 0.759 165 E CB 2.369 32.063 29.700 -0.011 0.000 1.182 165 E HN 0.600 nan 8.360 nan 0.000 0.418 166 V N 1.041 120.976 119.914 0.035 0.000 2.919 166 V HA 0.867 4.988 4.120 0.001 0.000 0.316 166 V C -0.740 175.456 176.094 0.170 0.000 1.077 166 V CA -0.774 61.577 62.300 0.085 0.000 0.977 166 V CB 1.148 32.961 31.823 -0.016 0.000 1.039 166 V HN 0.663 nan 8.190 nan 0.000 0.441 167 F N -0.052 119.854 119.950 -0.073 0.000 2.654 167 F HA 0.906 5.433 4.527 0.001 0.000 0.308 167 F C -0.745 175.016 175.800 -0.065 0.000 1.108 167 F CA -0.977 56.973 58.000 -0.083 0.000 0.957 167 F CB 1.347 40.309 39.000 -0.065 0.000 1.309 167 F HN 0.777 nan 8.300 nan 0.000 0.446 168 S N 1.368 116.982 115.700 -0.143 0.000 2.536 168 S HA 0.547 5.018 4.470 0.001 0.000 0.271 168 S C -0.045 174.489 174.600 -0.109 0.000 1.134 168 S CA -0.757 57.313 58.200 -0.217 0.000 0.897 168 S CB 1.914 65.031 63.200 -0.138 0.000 1.094 168 S HN 0.880 nan 8.310 nan 0.000 0.473 169 R N 1.666 122.048 120.500 -0.198 0.000 2.175 169 R HA 0.171 4.512 4.340 0.001 0.000 0.202 169 R C 0.422 176.538 176.300 -0.308 0.000 1.018 169 R CA 0.759 56.664 56.100 -0.324 0.000 1.029 169 R CB 0.085 29.994 30.300 -0.653 0.000 0.959 169 R HN 0.690 nan 8.270 nan 0.000 0.480 170 Y N -0.764 119.559 120.300 0.040 0.000 2.444 170 Y HA 0.245 4.795 4.550 0.001 0.000 0.249 170 Y C -0.260 175.758 175.900 0.196 0.000 1.134 170 Y CA -0.354 57.816 58.100 0.116 0.000 1.261 170 Y CB 0.949 39.395 38.460 -0.022 0.000 1.143 170 Y HN -0.154 nan 8.280 nan 0.000 0.523 171 D N -0.447 120.066 120.400 0.189 0.000 2.484 171 D HA 0.067 4.708 4.640 0.001 0.000 0.223 171 D C 0.099 176.318 176.300 -0.134 0.000 1.350 171 D CA 0.048 54.046 54.000 -0.003 0.000 0.940 171 D CB 0.218 41.039 40.800 0.036 0.000 1.525 171 D HN 0.144 nan 8.370 nan 0.000 0.504 172 Q N 0.742 120.359 119.800 -0.303 0.000 2.123 172 Q HA 0.049 4.389 4.340 0.001 0.000 0.199 172 Q C 1.932 177.758 176.000 -0.290 0.000 0.966 172 Q CA 1.186 56.806 55.803 -0.304 0.000 0.845 172 Q CB 0.324 28.828 28.738 -0.391 0.000 0.907 172 Q HN 0.499 nan 8.270 nan 0.000 0.439 173 G N 1.255 109.931 108.800 -0.207 0.000 2.421 173 G HA2 -0.258 3.702 3.960 0.001 0.000 0.216 173 G HA3 -0.258 3.702 3.960 0.001 0.000 0.216 173 G C 1.548 176.454 174.900 0.011 0.000 1.171 173 G CA 0.940 46.026 45.100 -0.024 0.000 0.775 173 G HN 0.410 nan 8.290 nan 0.000 0.543 174 A N 1.217 124.025 122.820 -0.020 0.000 1.883 174 A HA 0.182 4.503 4.320 0.001 0.000 0.217 174 A C 2.832 180.395 177.584 -0.035 0.000 1.186 174 A CA 2.537 54.569 52.037 -0.008 0.000 0.624 174 A CB -0.870 18.121 19.000 -0.015 0.000 0.822 174 A HN 0.835 nan 8.150 nan 0.000 0.444 175 A N -0.352 122.416 122.820 -0.087 0.000 1.873 175 A HA 0.201 4.521 4.320 0.001 0.000 0.215 175 A C 2.527 180.024 177.584 -0.145 0.000 1.186 175 A CA 2.095 54.070 52.037 -0.104 0.000 0.616 175 A CB -1.044 17.877 19.000 -0.130 0.000 0.823 175 A HN 1.057 nan 8.150 nan 0.000 0.442 176 A N -0.313 122.345 122.820 -0.271 0.000 1.877 176 A HA -0.143 4.177 4.320 0.001 0.000 0.216 176 A C 1.989 179.476 177.584 -0.161 0.000 1.186 176 A CA 2.149 53.921 52.037 -0.441 0.000 0.620 176 A CB -0.541 17.785 19.000 -1.125 0.000 0.822 176 A HN 0.527 nan 8.150 nan 0.000 0.443 177 E N 0.251 120.502 120.200 0.085 0.000 2.051 177 E HA -0.096 4.255 4.350 0.001 0.000 0.192 177 E C 2.064 178.737 176.600 0.123 0.000 0.991 177 E CA 1.736 58.295 56.400 0.266 0.000 0.799 177 E CB -0.521 29.336 29.700 0.262 0.000 0.748 177 E HN 0.462 nan 8.360 nan 0.000 0.449 178 A N 0.468 123.321 122.820 0.056 0.000 1.892 178 A HA -0.191 4.129 4.320 0.001 0.000 0.218 178 A C 2.254 179.865 177.584 0.046 0.000 1.188 178 A CA 1.755 53.816 52.037 0.039 0.000 0.631 178 A CB -0.990 18.019 19.000 0.014 0.000 0.822 178 A HN 0.392 nan 8.150 nan 0.000 0.447 179 L N 0.475 121.707 121.223 0.016 0.000 2.046 179 L HA -0.139 4.201 4.340 0.001 0.000 0.208 179 L C 2.543 179.434 176.870 0.035 0.000 1.077 179 L CA 2.405 57.258 54.840 0.021 0.000 0.747 179 L CB -0.471 41.547 42.059 -0.069 0.000 0.896 179 L HN 0.383 nan 8.230 nan 0.000 0.432 180 V N -4.446 115.481 119.914 0.020 0.000 2.548 180 V HA -0.124 3.996 4.120 0.001 0.000 0.249 180 V C 2.323 178.515 176.094 0.163 0.000 1.055 180 V CA 1.595 63.925 62.300 0.051 0.000 1.065 180 V CB -1.178 30.748 31.823 0.172 0.000 0.681 180 V HN 0.410 nan 8.190 nan 0.000 0.462 181 S N 1.181 116.968 115.700 0.145 0.000 2.359 181 S HA -0.156 4.314 4.470 0.001 0.000 0.224 181 S C 2.037 176.711 174.600 0.124 0.000 1.035 181 S CA 1.743 60.020 58.200 0.129 0.000 1.018 181 S CB -0.561 62.693 63.200 0.091 0.000 0.876 181 S HN 0.513 nan 8.310 nan 0.000 0.448 182 V N 0.428 120.411 119.914 0.115 0.000 2.332 182 V HA -0.206 3.914 4.120 0.001 0.000 0.248 182 V C 1.986 178.111 176.094 0.051 0.000 1.055 182 V CA 1.698 64.043 62.300 0.075 0.000 1.038 182 V CB -0.929 30.935 31.823 0.068 0.000 0.651 182 V HN 0.446 nan 8.190 nan 0.000 0.450 183 Y N 0.675 120.958 120.300 -0.029 0.000 2.293 183 Y HA -0.154 4.396 4.550 0.001 0.000 0.291 183 Y C 2.537 178.529 175.900 0.153 0.000 1.137 183 Y CA 1.587 59.664 58.100 -0.038 0.000 1.202 183 Y CB -0.192 38.056 38.460 -0.353 0.000 0.990 183 Y HN 0.372 nan 8.280 nan 0.000 0.537 184 E N -0.703 119.699 120.200 0.336 0.000 2.230 184 E HA -0.095 4.255 4.350 0.001 0.000 0.192 184 E C 2.096 178.788 176.600 0.152 0.000 0.987 184 E CA 0.341 56.918 56.400 0.296 0.000 0.841 184 E CB -0.021 29.840 29.700 0.268 0.000 0.783 184 E HN 0.402 nan 8.360 nan 0.000 0.481 185 R N 1.006 121.567 120.500 0.102 0.000 2.148 185 R HA 0.005 4.345 4.340 0.001 0.000 0.223 185 R C 1.476 177.793 176.300 0.028 0.000 1.088 185 R CA 0.379 56.510 56.100 0.052 0.000 0.985 185 R CB -0.104 30.216 30.300 0.033 0.000 0.880 185 R HN -0.042 nan 8.270 nan 0.000 0.451 186 S N 1.551 117.258 115.700 0.012 0.000 2.569 186 S HA -0.077 4.393 4.470 0.001 0.000 0.274 186 S C 0.175 174.786 174.600 0.019 0.000 1.353 186 S CA -0.187 58.005 58.200 -0.012 0.000 1.023 186 S CB 0.702 63.866 63.200 -0.059 0.000 0.876 186 S HN 0.344 nan 8.310 nan 0.000 0.540 187 D N 0.686 121.091 120.400 0.009 0.000 2.615 187 D HA 0.350 4.991 4.640 0.001 0.000 0.236 187 D C -0.450 175.861 176.300 0.019 0.000 1.233 187 D CA -0.447 53.563 54.000 0.017 0.000 0.829 187 D CB 0.053 40.859 40.800 0.009 0.000 1.024 187 D HN 0.244 nan 8.370 nan 0.000 0.490 188 K N 0.986 121.402 120.400 0.027 0.000 2.203 188 K HA 0.490 4.811 4.320 0.001 0.000 0.251 188 K C -2.531 174.103 176.600 0.058 0.000 0.944 188 K CA -2.346 53.962 56.287 0.034 0.000 0.829 188 K CB 1.026 33.544 32.500 0.029 0.000 1.125 188 K HN -0.093 nan 8.250 nan 0.000 0.430 189 P HA -0.065 nan 4.420 nan 0.000 0.260 189 P C -0.082 177.273 177.300 0.091 0.000 1.185 189 P CA 0.206 63.338 63.100 0.053 0.000 0.763 189 P CB 0.775 32.499 31.700 0.039 0.000 0.776 190 A N 4.518 127.392 122.820 0.090 0.000 1.958 190 A HA -0.272 4.048 4.320 0.001 0.000 0.221 190 A C 2.035 179.736 177.584 0.196 0.000 1.178 190 A CA 1.905 54.031 52.037 0.148 0.000 0.642 190 A CB -0.848 18.080 19.000 -0.120 0.000 0.816 190 A HN 0.432 nan 8.150 nan 0.000 0.453 191 K N -0.259 120.201 120.400 0.101 0.000 2.442 191 K HA -0.090 4.230 4.320 0.001 0.000 0.198 191 K C 0.638 177.312 176.600 0.123 0.000 1.042 191 K CA 1.401 57.751 56.287 0.106 0.000 0.958 191 K CB -0.221 32.311 32.500 0.054 0.000 0.766 191 K HN 0.639 nan 8.250 nan 0.000 0.474 192 D N -0.852 119.625 120.400 0.128 0.000 2.346 192 D HA 0.067 4.707 4.640 0.001 0.000 0.206 192 D C -0.429 175.956 176.300 0.141 0.000 1.001 192 D CA 0.317 54.383 54.000 0.111 0.000 0.871 192 D CB 0.314 41.164 40.800 0.083 0.000 0.943 192 D HN 0.081 nan 8.370 nan 0.000 0.518 193 L N 0.667 122.020 121.223 0.216 0.000 2.307 193 L HA 0.728 5.069 4.340 0.001 0.000 0.282 193 L C -0.203 176.822 176.870 0.259 0.000 1.051 193 L CA -1.098 53.906 54.840 0.274 0.000 0.804 193 L CB 1.581 43.865 42.059 0.376 0.000 1.197 193 L HN -0.190 nan 8.230 nan 0.000 0.431 194 A N 4.612 127.554 122.820 0.204 0.000 2.365 194 A HA 0.964 5.285 4.320 0.001 0.000 0.318 194 A C -0.811 176.712 177.584 -0.101 0.000 1.091 194 A CA -0.557 51.508 52.037 0.047 0.000 0.763 194 A CB 1.738 20.771 19.000 0.055 0.000 1.248 194 A HN 0.794 nan 8.150 nan 0.000 0.442 195 L N -0.492 120.548 121.223 -0.304 0.000 2.506 195 L HA 0.760 5.100 4.340 0.001 0.000 0.257 195 L C -1.650 175.046 176.870 -0.290 0.000 0.964 195 L CA -1.000 53.569 54.840 -0.453 0.000 0.836 195 L CB 2.175 43.561 42.059 -1.122 0.000 1.384 195 L HN 0.418 nan 8.230 nan 0.000 0.410 196 N N 1.967 120.537 118.700 -0.217 0.000 2.408 196 N HA 0.536 5.277 4.740 0.001 0.000 0.280 196 N C 0.569 175.959 175.510 -0.200 0.000 1.002 196 N CA -0.604 52.343 53.050 -0.172 0.000 0.907 196 N CB 2.335 40.752 38.487 -0.118 0.000 1.161 196 N HN 0.755 nan 8.380 nan 0.000 0.488 197 L N 1.115 122.202 121.223 -0.226 0.000 2.072 197 L HA 0.120 4.460 4.340 0.001 0.000 0.205 197 L C 1.274 177.977 176.870 -0.277 0.000 1.079 197 L CA 0.860 55.524 54.840 -0.294 0.000 0.752 197 L CB -0.270 41.569 42.059 -0.367 0.000 0.906 197 L HN 0.843 nan 8.230 nan 0.000 0.436 198 G N -0.253 108.410 108.800 -0.227 0.000 2.130 198 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 198 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 198 G C 0.032 174.807 174.900 -0.210 0.000 0.999 198 G CA -0.569 44.432 45.100 -0.165 0.000 0.686 198 G HN 0.026 nan 8.290 nan 0.000 0.515 199 L N 0.938 121.979 121.223 -0.303 0.000 2.455 199 L HA 0.555 4.895 4.340 0.001 0.000 0.272 199 L C 0.170 176.894 176.870 -0.243 0.000 1.174 199 L CA 0.865 55.505 54.840 -0.333 0.000 0.869 199 L CB 1.193 43.001 42.059 -0.419 0.000 1.130 199 L HN 0.358 nan 8.230 nan 0.000 0.474 200 D N 4.522 124.822 120.400 -0.167 0.000 2.826 200 D HA 0.228 4.868 4.640 0.001 0.000 0.239 200 D C -1.990 174.363 176.300 0.088 0.000 1.329 200 D CA -0.832 53.164 54.000 -0.007 0.000 0.854 200 D CB 1.295 42.130 40.800 0.060 0.000 1.494 200 D HN 0.098 nan 8.370 nan 0.000 0.540 201 P HA -0.054 nan 4.420 nan 0.000 0.216 201 P C 1.808 179.261 177.300 0.255 0.000 1.153 201 P CA 0.761 63.941 63.100 0.133 0.000 0.848 201 P CB 0.544 32.287 31.700 0.072 0.000 0.787 202 I N -0.460 120.305 120.570 0.324 0.000 2.252 202 I HA -0.135 4.035 4.170 0.001 0.000 0.245 202 I C 2.650 178.882 176.117 0.191 0.000 1.102 202 I CA 1.708 63.146 61.300 0.231 0.000 1.385 202 I CB -1.363 36.741 38.000 0.173 0.000 1.064 202 I HN -0.011 nan 8.210 nan 0.000 0.414 203 G N 0.860 109.776 108.800 0.193 0.000 2.440 203 G HA2 -0.327 3.633 3.960 0.001 0.000 0.218 203 G HA3 -0.327 3.633 3.960 0.001 0.000 0.218 203 G C 1.628 176.547 174.900 0.032 0.000 1.154 203 G CA 0.688 45.834 45.100 0.077 0.000 0.767 203 G HN 0.333 nan 8.290 nan 0.000 0.552 204 F N 2.423 122.342 119.950 -0.053 0.000 2.102 204 F HA 0.053 4.580 4.527 0.000 0.000 0.298 204 F C 2.834 178.582 175.800 -0.086 0.000 1.105 204 F CA 1.438 59.380 58.000 -0.096 0.000 1.239 204 F CB -0.441 38.514 39.000 -0.074 0.000 0.991 204 F HN 0.239 nan 8.300 nan 0.000 0.474 205 A N 0.708 123.545 122.820 0.028 0.000 1.873 205 A HA -0.195 4.126 4.320 0.001 0.000 0.218 205 A C 2.456 179.965 177.584 -0.124 0.000 1.193 205 A CA 2.419 54.427 52.037 -0.048 0.000 0.629 205 A CB -1.734 17.311 19.000 0.074 0.000 0.826 205 A HN 0.573 nan 8.150 nan 0.000 0.447 206 A N -0.531 122.250 122.820 -0.065 0.000 1.908 206 A HA -0.102 4.219 4.320 0.001 0.000 0.218 206 A C 2.200 179.680 177.584 -0.174 0.000 1.181 206 A CA 1.681 53.682 52.037 -0.061 0.000 0.627 206 A CB -0.646 18.382 19.000 0.047 0.000 0.818 206 A HN 0.501 nan 8.150 nan 0.000 0.445 207 L N -1.091 119.955 121.223 -0.295 0.000 2.141 207 L HA -0.169 4.171 4.340 0.001 0.000 0.209 207 L C 2.677 179.263 176.870 -0.473 0.000 1.094 207 L CA 1.042 55.619 54.840 -0.438 0.000 0.763 207 L CB -0.317 41.408 42.059 -0.558 0.000 0.908 207 L HN 0.400 nan 8.230 nan 0.000 0.437 208 Q N -0.649 118.835 119.800 -0.527 0.000 2.373 208 Q HA 0.125 4.465 4.340 0.001 0.000 0.210 208 Q C 1.545 177.387 176.000 -0.264 0.000 0.913 208 Q CA 0.947 56.476 55.803 -0.456 0.000 0.911 208 Q CB 0.554 28.897 28.738 -0.658 0.000 1.040 208 Q HN 0.520 nan 8.270 nan 0.000 0.521 209 G N 2.068 110.741 108.800 -0.212 0.000 2.132 209 G HA2 -0.256 3.705 3.960 0.001 0.000 0.234 209 G HA3 -0.256 3.705 3.960 0.001 0.000 0.234 209 G C 0.405 175.254 174.900 -0.085 0.000 0.989 209 G CA 0.636 45.664 45.100 -0.120 0.000 0.676 209 G HN 0.470 nan 8.290 nan 0.000 0.522 210 T N -3.456 111.042 114.554 -0.092 0.000 2.910 210 T HA 0.820 5.170 4.350 0.001 0.000 0.279 210 T C 0.179 174.882 174.700 0.005 0.000 0.989 210 T CA 0.724 62.806 62.100 -0.030 0.000 0.968 210 T CB 1.719 70.587 68.868 -0.001 0.000 1.135 210 T HN 1.484 nan 8.240 nan 0.000 0.562 211 E N 0.945 121.166 120.200 0.035 0.000 2.283 211 E HA 0.497 4.847 4.350 0.001 0.000 0.278 211 E C -2.680 173.971 176.600 0.085 0.000 1.027 211 E CA -2.630 53.798 56.400 0.047 0.000 0.843 211 E CB -0.613 29.112 29.700 0.040 0.000 1.062 211 E HN 0.739 nan 8.360 nan 0.000 0.401 212 P HA 0.164 nan 4.420 nan 0.000 0.265 212 P C -0.987 176.381 177.300 0.114 0.000 1.222 212 P CA 0.028 63.204 63.100 0.127 0.000 0.767 212 P CB 0.632 32.409 31.700 0.128 0.000 0.801 213 D N 3.546 124.015 120.400 0.114 0.000 2.467 213 D HA 0.166 4.806 4.640 0.001 0.000 0.220 213 D C 0.214 176.558 176.300 0.072 0.000 1.103 213 D CA -0.407 53.642 54.000 0.083 0.000 0.886 213 D CB 0.309 41.150 40.800 0.068 0.000 1.025 213 D HN 0.043 nan 8.370 nan 0.000 0.514 214 L N 3.010 124.283 121.223 0.084 0.000 2.653 214 L HA 0.116 4.456 4.340 0.001 0.000 0.231 214 L C 2.249 179.155 176.870 0.059 0.000 1.153 214 L CA 0.377 55.262 54.840 0.075 0.000 0.933 214 L CB 0.003 42.145 42.059 0.138 0.000 1.175 214 L HN 0.497 nan 8.230 nan 0.000 0.473 215 T N -5.016 109.572 114.554 0.055 0.000 3.088 215 T HA -0.000 4.350 4.350 0.001 0.000 0.259 215 T C 1.377 176.103 174.700 0.044 0.000 1.122 215 T CA 0.825 62.956 62.100 0.051 0.000 1.095 215 T CB -0.136 68.757 68.868 0.041 0.000 0.930 215 T HN 0.084 nan 8.240 nan 0.000 0.508 216 V N 0.564 120.510 119.914 0.054 0.000 3.506 216 V HA 0.253 4.373 4.120 0.001 0.000 0.263 216 V C 2.471 178.645 176.094 0.133 0.000 1.203 216 V CA 0.119 62.458 62.300 0.065 0.000 1.133 216 V CB -0.964 30.938 31.823 0.132 0.000 0.802 216 V HN 0.371 nan 8.190 nan 0.000 0.459 217 L N 1.670 122.951 121.223 0.097 0.000 1.990 217 L HA -0.141 4.200 4.340 0.001 0.000 0.213 217 L C 2.817 179.716 176.870 0.049 0.000 1.072 217 L CA 2.174 57.045 54.840 0.051 0.000 0.755 217 L CB -1.297 40.709 42.059 -0.089 0.000 0.889 217 L HN 0.466 nan 8.230 nan 0.000 0.432 218 G N -0.253 108.594 108.800 0.078 0.000 2.513 218 G HA2 -0.330 3.631 3.960 0.001 0.000 0.219 218 G HA3 -0.330 3.631 3.960 0.001 0.000 0.219 218 G C 1.135 176.156 174.900 0.202 0.000 1.160 218 G CA 1.316 46.553 45.100 0.229 0.000 0.767 218 G HN 0.342 nan 8.290 nan 0.000 0.571 219 D N -0.062 120.370 120.400 0.053 0.000 2.144 219 D HA -0.089 4.552 4.640 0.001 0.000 0.199 219 D C 2.127 178.352 176.300 -0.124 0.000 0.984 219 D CA 0.677 54.626 54.000 -0.086 0.000 0.834 219 D CB -0.372 40.277 40.800 -0.252 0.000 0.955 219 D HN 0.651 nan 8.370 nan 0.000 0.465 220 W N 0.774 122.066 121.300 -0.013 0.000 2.381 220 W HA -0.128 4.532 4.660 0.000 0.000 0.301 220 W C 2.429 178.925 176.519 -0.039 0.000 1.205 220 W CA 0.246 57.568 57.345 -0.039 0.000 1.285 220 W CB -0.410 28.997 29.460 -0.088 0.000 1.133 220 W HN -0.191 nan 8.180 nan 0.000 0.521 221 V N 0.685 120.682 119.914 0.137 0.000 2.287 221 V HA -0.323 3.798 4.120 0.001 0.000 0.248 221 V C 2.137 178.310 176.094 0.132 0.000 1.053 221 V CA 1.902 64.210 62.300 0.013 0.000 1.027 221 V CB -0.877 30.737 31.823 -0.349 0.000 0.646 221 V HN 0.196 nan 8.190 nan 0.000 0.447 222 R N -0.309 120.314 120.500 0.205 0.000 2.115 222 R HA -0.112 4.229 4.340 0.001 0.000 0.230 222 R C 2.482 178.842 176.300 0.101 0.000 1.111 222 R CA 1.117 57.323 56.100 0.177 0.000 0.976 222 R CB -0.300 30.090 30.300 0.150 0.000 0.870 222 R HN 0.321 nan 8.270 nan 0.000 0.445 223 R N 0.924 121.481 120.500 0.096 0.000 2.148 223 R HA -0.063 4.277 4.340 0.001 0.000 0.227 223 R C 1.454 177.891 176.300 0.228 0.000 1.103 223 R CA 1.073 57.244 56.100 0.119 0.000 0.983 223 R CB -0.222 30.143 30.300 0.109 0.000 0.874 223 R HN 0.116 nan 8.270 nan 0.000 0.451 224 L N -0.120 121.260 121.223 0.261 0.000 2.629 224 L HA 0.367 4.707 4.340 0.001 0.000 0.230 224 L C 1.332 178.342 176.870 0.233 0.000 1.151 224 L CA 0.478 55.529 54.840 0.353 0.000 0.924 224 L CB 0.295 42.485 42.059 0.218 0.000 1.137 224 L HN 0.238 nan 8.230 nan 0.000 0.457 225 A N -0.271 122.618 122.820 0.114 0.000 2.067 225 A HA -0.103 4.218 4.320 0.001 0.000 0.217 225 A C 2.228 179.799 177.584 -0.022 0.000 1.156 225 A CA 1.093 53.166 52.037 0.062 0.000 0.683 225 A CB -0.271 18.769 19.000 0.066 0.000 0.808 225 A HN 0.549 nan 8.150 nan 0.000 0.455 226 K N -1.203 119.094 120.400 -0.170 0.000 2.167 226 K HA 0.054 4.375 4.320 0.001 0.000 0.203 226 K C -0.200 176.215 176.600 -0.308 0.000 1.052 226 K CA 0.213 56.315 56.287 -0.310 0.000 0.956 226 K CB -0.323 31.874 32.500 -0.505 0.000 0.735 226 K HN 0.289 nan 8.250 nan 0.000 0.451 227 F N 2.933 122.912 119.950 0.048 0.000 2.378 227 F HA 0.118 4.645 4.527 0.000 0.000 0.319 227 F C 1.360 177.184 175.800 0.040 0.000 1.155 227 F CA -0.876 57.155 58.000 0.051 0.000 1.157 227 F CB 0.509 39.530 39.000 0.035 0.000 1.252 227 F HN 0.007 nan 8.300 nan 0.000 0.550 228 S N 2.341 118.192 115.700 0.251 0.000 2.527 228 S HA -0.058 4.412 4.470 0.001 0.000 0.274 228 S C -1.374 173.296 174.600 0.117 0.000 1.349 228 S CA -0.807 57.481 58.200 0.148 0.000 1.011 228 S CB 0.269 63.549 63.200 0.133 0.000 0.837 228 S HN 0.487 nan 8.310 nan 0.000 0.524 229 P HA 0.051 nan 4.420 nan 0.000 0.229 229 P C 0.466 177.804 177.300 0.062 0.000 1.160 229 P CA 0.778 63.922 63.100 0.073 0.000 0.777 229 P CB -0.087 31.653 31.700 0.067 0.000 0.814 230 D N -0.255 120.180 120.400 0.058 0.000 2.183 230 D HA -0.037 4.604 4.640 0.001 0.000 0.203 230 D C 0.635 176.946 176.300 0.018 0.000 0.969 230 D CA 0.719 54.745 54.000 0.042 0.000 0.842 230 D CB -0.692 40.134 40.800 0.044 0.000 0.957 230 D HN 0.076 nan 8.370 nan 0.000 0.484 231 S N 1.515 117.224 115.700 0.015 0.000 2.563 231 S HA 0.077 4.548 4.470 0.001 0.000 0.294 231 S C 0.474 175.056 174.600 -0.031 0.000 1.279 231 S CA 0.061 58.245 58.200 -0.027 0.000 1.069 231 S CB 0.613 63.809 63.200 -0.007 0.000 0.828 231 S HN 0.069 nan 8.310 nan 0.000 0.497 232 R N 1.390 121.846 120.500 -0.073 0.000 2.621 232 R HA 0.554 4.894 4.340 0.001 0.000 0.292 232 R C 0.561 176.788 176.300 -0.122 0.000 0.969 232 R CA -0.720 55.328 56.100 -0.086 0.000 0.887 232 R CB 1.281 31.523 30.300 -0.096 0.000 1.180 232 R HN 0.611 nan 8.270 nan 0.000 0.450 233 A N 2.252 124.996 122.820 -0.127 0.000 1.911 233 A HA 0.144 4.464 4.320 0.001 0.000 0.212 233 A C 0.571 178.022 177.584 -0.221 0.000 1.189 233 A CA 0.678 52.622 52.037 -0.155 0.000 0.639 233 A CB 0.440 19.375 19.000 -0.108 0.000 0.839 233 A HN 0.308 nan 8.150 nan 0.000 0.449 234 V N 1.080 120.862 119.914 -0.220 0.000 2.427 234 V HA 0.461 4.581 4.120 0.001 0.000 0.286 234 V C -0.437 175.519 176.094 -0.230 0.000 1.034 234 V CA -0.218 61.931 62.300 -0.252 0.000 0.893 234 V CB 1.367 33.023 31.823 -0.278 0.000 0.982 234 V HN 0.254 nan 8.190 nan 0.000 0.452 235 T N 5.911 120.344 114.554 -0.202 0.000 2.934 235 T HA 0.489 4.839 4.350 0.001 0.000 0.328 235 T C -0.071 174.545 174.700 -0.140 0.000 1.068 235 T CA -0.163 61.823 62.100 -0.191 0.000 1.018 235 T CB 0.359 69.136 68.868 -0.151 0.000 1.009 235 T HN 0.406 nan 8.240 nan 0.000 0.471 236 I N 3.268 123.718 120.570 -0.200 0.000 2.576 236 I HA 0.040 4.210 4.170 0.001 0.000 0.288 236 I C 0.607 176.717 176.117 -0.012 0.000 1.126 236 I CA -0.061 61.195 61.300 -0.075 0.000 1.362 236 I CB 0.199 38.066 38.000 -0.222 0.000 1.419 236 I HN 0.475 nan 8.210 nan 0.000 0.533 237 D N 6.593 127.007 120.400 0.025 0.000 2.402 237 D HA 0.224 4.864 4.640 0.001 0.000 0.235 237 D C 0.808 177.147 176.300 0.064 0.000 1.226 237 D CA -0.027 53.980 54.000 0.012 0.000 0.918 237 D CB 1.389 42.188 40.800 -0.001 0.000 1.043 237 D HN 0.640 nan 8.370 nan 0.000 0.506 238 A N 4.172 127.058 122.820 0.109 0.000 2.123 238 A HA -0.106 4.214 4.320 0.001 0.000 0.214 238 A C 1.925 179.610 177.584 0.168 0.000 1.152 238 A CA 0.248 52.413 52.037 0.214 0.000 0.728 238 A CB -0.319 18.782 19.000 0.168 0.000 0.814 238 A HN 0.683 nan 8.150 nan 0.000 0.464 239 N N 0.433 119.164 118.700 0.052 0.000 2.289 239 N HA -0.132 4.608 4.740 0.001 0.000 0.184 239 N C 1.602 177.112 175.510 0.001 0.000 1.016 239 N CA 1.203 54.261 53.050 0.014 0.000 0.872 239 N CB -0.172 38.274 38.487 -0.068 0.000 0.973 239 N HN 0.552 nan 8.380 nan 0.000 0.433 240 I N 0.394 120.957 120.570 -0.011 0.000 2.163 240 I HA -0.304 3.866 4.170 0.001 0.000 0.243 240 I C 1.621 177.709 176.117 -0.048 0.000 1.085 240 I CA 1.314 62.627 61.300 0.021 0.000 1.347 240 I CB -0.468 37.456 38.000 -0.126 0.000 1.044 240 I HN 0.153 nan 8.210 nan 0.000 0.408 241 Y N -0.542 119.903 120.300 0.242 0.000 2.293 241 Y HA -0.260 4.290 4.550 0.001 0.000 0.291 241 Y C 2.663 178.652 175.900 0.150 0.000 1.137 241 Y CA 1.673 59.934 58.100 0.268 0.000 1.202 241 Y CB -1.152 37.566 38.460 0.430 0.000 0.990 241 Y HN 0.263 nan 8.280 nan 0.000 0.537 242 H N 0.376 119.508 119.070 0.104 0.000 2.321 242 H HA -0.125 4.431 4.556 0.001 0.000 0.300 242 H C 1.740 177.023 175.328 -0.075 0.000 1.087 242 H CA 2.031 58.078 56.048 -0.002 0.000 1.319 242 H CB -0.207 29.526 29.762 -0.050 0.000 1.379 242 H HN 0.090 nan 8.280 nan 0.000 0.501 243 N N 0.109 118.668 118.700 -0.235 0.000 2.364 243 N HA -0.063 4.677 4.740 0.001 0.000 0.183 243 N C 1.402 176.686 175.510 -0.378 0.000 1.022 243 N CA 1.047 53.794 53.050 -0.505 0.000 0.883 243 N CB -0.305 37.309 38.487 -1.456 0.000 0.965 243 N HN 0.549 nan 8.380 nan 0.000 0.438 244 A N -0.843 121.921 122.820 -0.093 0.000 2.238 244 A HA 0.489 4.809 4.320 0.001 0.000 0.210 244 A C 1.421 179.070 177.584 0.108 0.000 1.179 244 A CA 0.767 52.896 52.037 0.154 0.000 0.827 244 A CB 0.036 19.221 19.000 0.308 0.000 0.856 244 A HN 0.287 nan 8.150 nan 0.000 0.488 245 G N -2.306 106.496 108.800 0.004 0.000 2.198 245 G HA2 0.230 4.190 3.960 0.001 0.000 0.156 245 G HA3 0.230 4.190 3.960 0.001 0.000 0.156 245 G C 0.351 175.242 174.900 -0.015 0.000 1.012 245 G CA 0.001 45.090 45.100 -0.017 0.000 0.692 245 G HN 1.327 nan 8.290 nan 0.000 0.492 246 A N 0.333 123.165 122.820 0.019 0.000 2.386 246 A HA 0.778 5.098 4.320 0.001 0.000 0.248 246 A C 1.318 178.882 177.584 -0.033 0.000 1.082 246 A CA 1.108 53.136 52.037 -0.016 0.000 0.789 246 A CB 0.381 19.368 19.000 -0.022 0.000 1.025 246 A HN 1.572 nan 8.150 nan 0.000 0.490 247 G N -0.546 108.223 108.800 -0.052 0.000 2.582 247 G HA2 0.323 4.284 3.960 0.001 0.000 0.232 247 G HA3 0.323 4.284 3.960 0.001 0.000 0.232 247 G C 0.232 175.124 174.900 -0.013 0.000 1.458 247 G CA 0.288 45.381 45.100 -0.013 0.000 1.062 247 G HN 0.653 nan 8.290 nan 0.000 0.566 248 D N -1.101 119.289 120.400 -0.016 0.000 2.183 248 D HA -0.072 4.568 4.640 0.001 0.000 0.205 248 D C 2.770 179.019 176.300 -0.086 0.000 0.962 248 D CA 0.599 54.579 54.000 -0.034 0.000 0.849 248 D CB -0.039 40.752 40.800 -0.015 0.000 0.978 248 D HN 0.061 nan 8.370 nan 0.000 0.488 249 V N 1.935 121.790 119.914 -0.099 0.000 2.295 249 V HA -0.213 3.907 4.120 0.001 0.000 0.246 249 V C 2.629 178.556 176.094 -0.278 0.000 1.049 249 V CA 1.926 64.147 62.300 -0.132 0.000 1.024 249 V CB -0.746 31.026 31.823 -0.086 0.000 0.648 249 V HN 0.155 nan 8.190 nan 0.000 0.447 250 A N -0.393 122.166 122.820 -0.436 0.000 1.898 250 A HA -0.243 4.077 4.320 0.001 0.000 0.216 250 A C 2.279 179.366 177.584 -0.828 0.000 1.181 250 A CA 1.837 53.300 52.037 -0.958 0.000 0.620 250 A CB -0.508 17.736 19.000 -1.260 0.000 0.819 250 A HN 0.639 nan 8.150 nan 0.000 0.442 251 E N -0.445 119.545 120.200 -0.349 0.000 2.058 251 E HA -0.233 4.117 4.350 0.001 0.000 0.194 251 E C 1.913 178.457 176.600 -0.094 0.000 0.997 251 E CA 1.584 57.929 56.400 -0.091 0.000 0.801 251 E CB -0.246 29.465 29.700 0.018 0.000 0.746 251 E HN 0.430 nan 8.360 nan 0.000 0.450 252 L N 0.885 122.025 121.223 -0.139 0.000 2.017 252 L HA -0.069 4.271 4.340 0.001 0.000 0.208 252 L C 2.303 179.097 176.870 -0.127 0.000 1.073 252 L CA 2.311 57.073 54.840 -0.130 0.000 0.745 252 L CB -0.857 41.135 42.059 -0.110 0.000 0.894 252 L HN 0.207 nan 8.230 nan 0.000 0.432 253 A N -1.030 121.694 122.820 -0.160 0.000 1.902 253 A HA -0.204 4.117 4.320 0.001 0.000 0.217 253 A C 1.953 179.568 177.584 0.052 0.000 1.181 253 A CA 1.818 53.801 52.037 -0.090 0.000 0.623 253 A CB -1.124 17.788 19.000 -0.147 0.000 0.818 253 A HN 0.694 nan 8.150 nan 0.000 0.443 254 W N -0.542 120.707 121.300 -0.085 0.000 2.584 254 W HA 0.258 4.919 4.660 0.001 0.000 0.264 254 W C 2.584 179.064 176.519 -0.065 0.000 1.264 254 W CA -0.035 57.228 57.345 -0.136 0.000 1.306 254 W CB -1.220 28.009 29.460 -0.387 0.000 1.110 254 W HN 0.447 nan 8.180 nan 0.000 0.606 255 A N 0.931 123.834 122.820 0.137 0.000 1.858 255 A HA -0.158 4.162 4.320 0.001 0.000 0.216 255 A C 2.123 179.745 177.584 0.063 0.000 1.190 255 A CA 1.753 53.862 52.037 0.119 0.000 0.617 255 A CB -0.990 18.005 19.000 -0.008 0.000 0.827 255 A HN 0.212 nan 8.150 nan 0.000 0.443 256 L N -0.714 120.449 121.223 -0.099 0.000 2.056 256 L HA -0.142 4.198 4.340 0.001 0.000 0.207 256 L C 3.040 179.764 176.870 -0.244 0.000 1.078 256 L CA 1.058 55.761 54.840 -0.228 0.000 0.749 256 L CB -0.730 40.965 42.059 -0.607 0.000 0.901 256 L HN 0.401 nan 8.230 nan 0.000 0.433 257 A N 0.040 122.812 122.820 -0.079 0.000 1.877 257 A HA -0.197 4.124 4.320 0.001 0.000 0.216 257 A C 2.410 180.058 177.584 0.105 0.000 1.186 257 A CA 2.418 54.601 52.037 0.243 0.000 0.620 257 A CB -1.010 18.180 19.000 0.317 0.000 0.822 257 A HN 0.400 nan 8.150 nan 0.000 0.443 258 T N -0.248 114.291 114.554 -0.026 0.000 2.788 258 T HA -0.025 4.325 4.350 0.001 0.000 0.268 258 T C 1.958 176.392 174.700 -0.444 0.000 1.044 258 T CA 1.379 63.309 62.100 -0.285 0.000 1.139 258 T CB -0.633 68.108 68.868 -0.211 0.000 0.867 258 T HN 0.590 nan 8.240 nan 0.000 0.454 259 G N 1.371 110.097 108.800 -0.123 0.000 2.459 259 G HA2 -0.087 3.874 3.960 0.001 0.000 0.217 259 G HA3 -0.087 3.874 3.960 0.001 0.000 0.217 259 G C 1.878 176.986 174.900 0.346 0.000 1.183 259 G CA 0.975 46.141 45.100 0.110 0.000 0.776 259 G HN 0.569 nan 8.290 nan 0.000 0.552 260 A N 0.873 123.940 122.820 0.413 0.000 1.903 260 A HA -0.140 4.181 4.320 0.001 0.000 0.219 260 A C 2.222 180.010 177.584 0.340 0.000 1.191 260 A CA 2.163 54.493 52.037 0.490 0.000 0.638 260 A CB -0.486 18.869 19.000 0.591 0.000 0.823 260 A HN 0.372 nan 8.150 nan 0.000 0.451 261 E N -0.938 119.368 120.200 0.177 0.000 2.085 261 E HA -0.205 4.146 4.350 0.001 0.000 0.194 261 E C 1.869 178.608 176.600 0.232 0.000 0.994 261 E CA 1.489 57.972 56.400 0.138 0.000 0.801 261 E CB -0.429 29.277 29.700 0.009 0.000 0.743 261 E HN 0.807 nan 8.360 nan 0.000 0.453 262 Y N 0.179 120.547 120.300 0.114 0.000 2.395 262 Y HA -0.063 4.487 4.550 0.001 0.000 0.293 262 Y C 2.419 178.339 175.900 0.033 0.000 1.123 262 Y CA -0.080 58.054 58.100 0.056 0.000 1.227 262 Y CB -0.781 37.684 38.460 0.008 0.000 1.012 262 Y HN -0.150 nan 8.280 nan 0.000 0.552 263 V N -0.236 119.788 119.914 0.185 0.000 2.346 263 V HA -0.207 3.913 4.120 0.001 0.000 0.244 263 V C 2.451 178.524 176.094 -0.035 0.000 1.037 263 V CA 1.509 63.783 62.300 -0.042 0.000 1.029 263 V CB -0.485 31.125 31.823 -0.355 0.000 0.663 263 V HN 0.197 nan 8.190 nan 0.000 0.454 264 R N 0.082 120.657 120.500 0.125 0.000 2.083 264 R HA -0.169 4.171 4.340 0.001 0.000 0.237 264 R C 2.403 178.809 176.300 0.176 0.000 1.137 264 R CA 1.640 57.878 56.100 0.230 0.000 0.951 264 R CB -0.572 29.909 30.300 0.303 0.000 0.851 264 R HN 0.538 nan 8.270 nan 0.000 0.434 265 A N 0.632 123.556 122.820 0.174 0.000 1.933 265 A HA -0.107 4.213 4.320 0.001 0.000 0.218 265 A C 2.066 179.735 177.584 0.142 0.000 1.175 265 A CA 1.092 53.222 52.037 0.154 0.000 0.628 265 A CB -0.329 18.773 19.000 0.169 0.000 0.814 265 A HN 0.220 nan 8.150 nan 0.000 0.444 266 L N -0.630 120.668 121.223 0.126 0.000 2.341 266 L HA -0.052 4.288 4.340 0.001 0.000 0.214 266 L C 2.148 179.171 176.870 0.254 0.000 1.115 266 L CA 0.306 55.235 54.840 0.148 0.000 0.820 266 L CB -0.025 42.022 42.059 -0.021 0.000 0.944 266 L HN 0.237 nan 8.230 nan 0.000 0.452 267 V N -0.781 119.233 119.914 0.167 0.000 2.649 267 V HA -0.155 3.965 4.120 0.001 0.000 0.248 267 V C 2.165 178.343 176.094 0.140 0.000 1.054 267 V CA 1.182 63.575 62.300 0.155 0.000 1.073 267 V CB -0.254 31.644 31.823 0.126 0.000 0.699 267 V HN 0.402 nan 8.190 nan 0.000 0.463 268 E N 0.286 120.568 120.200 0.137 0.000 2.110 268 E HA -0.215 4.135 4.350 0.001 0.000 0.193 268 E C 1.805 178.465 176.600 0.099 0.000 0.988 268 E CA 1.043 57.509 56.400 0.109 0.000 0.804 268 E CB -0.065 29.700 29.700 0.108 0.000 0.745 268 E HN 0.659 nan 8.360 nan 0.000 0.458 269 Q N -0.785 119.100 119.800 0.142 0.000 2.253 269 Q HA 0.140 4.480 4.340 0.001 0.000 0.210 269 Q C 0.550 176.579 176.000 0.048 0.000 0.907 269 Q CA 0.346 56.229 55.803 0.134 0.000 0.948 269 Q CB 1.015 29.886 28.738 0.222 0.000 1.033 269 Q HN 0.383 nan 8.270 nan 0.000 0.471 270 G N 0.045 108.842 108.800 -0.005 0.000 2.179 270 G HA2 -0.237 3.723 3.960 0.001 0.000 0.220 270 G HA3 -0.237 3.723 3.960 0.001 0.000 0.220 270 G C -0.212 174.540 174.900 -0.246 0.000 0.990 270 G CA -0.549 44.446 45.100 -0.174 0.000 0.646 270 G HN 0.273 nan 8.290 nan 0.000 0.517 271 F N 1.690 121.651 119.950 0.019 0.000 2.440 271 F HA 0.672 5.200 4.527 0.000 0.000 0.328 271 F C 1.368 177.175 175.800 0.013 0.000 1.070 271 F CA -0.048 57.962 58.000 0.017 0.000 1.011 271 F CB 1.098 40.110 39.000 0.020 0.000 1.226 271 F HN 0.170 nan 8.300 nan 0.000 0.491 272 T N -1.288 113.385 114.554 0.199 0.000 2.732 272 T HA 0.445 4.796 4.350 0.001 0.000 0.287 272 T C 1.095 175.836 174.700 0.068 0.000 0.993 272 T CA -0.169 61.992 62.100 0.103 0.000 0.966 272 T CB 0.981 69.890 68.868 0.067 0.000 1.047 272 T HN 0.675 nan 8.240 nan 0.000 0.527 273 A N 0.334 123.149 122.820 -0.009 0.000 1.929 273 A HA 0.071 4.391 4.320 0.001 0.000 0.216 273 A C 2.527 180.030 177.584 -0.134 0.000 1.176 273 A CA 1.734 53.689 52.037 -0.137 0.000 0.628 273 A CB -1.681 17.207 19.000 -0.186 0.000 0.816 273 A HN 0.910 nan 8.150 nan 0.000 0.444 274 T N 0.323 114.820 114.554 -0.095 0.000 2.684 274 T HA -0.182 4.168 4.350 0.001 0.000 0.267 274 T C 1.725 176.464 174.700 0.064 0.000 1.036 274 T CA 1.893 63.969 62.100 -0.041 0.000 1.148 274 T CB -0.295 68.561 68.868 -0.020 0.000 0.863 274 T HN 0.671 nan 8.240 nan 0.000 0.436 275 E N 0.801 121.051 120.200 0.083 0.000 2.153 275 E HA -0.026 4.324 4.350 0.001 0.000 0.194 275 E C 2.523 179.150 176.600 0.046 0.000 0.988 275 E CA 0.851 57.309 56.400 0.096 0.000 0.811 275 E CB -0.203 29.606 29.700 0.183 0.000 0.746 275 E HN 0.488 nan 8.360 nan 0.000 0.466 276 A N 0.793 123.645 122.820 0.053 0.000 1.877 276 A HA -0.173 4.148 4.320 0.001 0.000 0.216 276 A C 1.851 179.541 177.584 0.176 0.000 1.186 276 A CA 1.119 53.185 52.037 0.049 0.000 0.620 276 A CB -0.687 18.344 19.000 0.052 0.000 0.822 276 A HN 0.174 nan 8.150 nan 0.000 0.443 277 F N 0.721 120.671 119.950 0.000 0.000 2.216 277 F HA -0.116 4.412 4.527 0.001 0.000 0.300 277 F C 1.531 177.391 175.800 0.100 0.000 1.085 277 F CA 1.589 59.651 58.000 0.103 0.000 1.326 277 F CB -0.362 38.644 39.000 0.010 0.000 1.027 277 F HN 0.225 nan 8.300 nan 0.000 0.497 278 D N -1.806 118.720 120.400 0.211 0.000 2.363 278 D HA -0.049 4.591 4.640 0.001 0.000 0.226 278 D C 2.038 178.368 176.300 0.050 0.000 1.020 278 D CA 0.854 54.927 54.000 0.121 0.000 0.892 278 D CB -0.122 40.739 40.800 0.102 0.000 0.900 278 D HN 0.150 nan 8.370 nan 0.000 0.531 279 T N -0.945 113.613 114.554 0.006 0.000 3.003 279 T HA 0.271 4.621 4.350 0.001 0.000 0.261 279 T C 0.531 175.169 174.700 -0.102 0.000 1.003 279 T CA -0.222 61.845 62.100 -0.056 0.000 0.917 279 T CB 0.349 69.157 68.868 -0.099 0.000 1.084 279 T HN -0.069 nan 8.240 nan 0.000 0.522 280 I N 2.762 123.269 120.570 -0.104 0.000 2.353 280 I HA 0.427 4.597 4.170 0.001 0.000 0.293 280 I C -0.413 175.519 176.117 -0.308 0.000 0.992 280 I CA -0.727 60.434 61.300 -0.232 0.000 1.268 280 I CB 1.343 39.197 38.000 -0.244 0.000 1.387 280 I HN 0.039 nan 8.210 nan 0.000 0.478 281 N N 4.789 123.256 118.700 -0.388 0.000 2.312 281 N HA 0.593 5.333 4.740 0.001 0.000 0.296 281 N C -1.421 173.775 175.510 -0.522 0.000 1.193 281 N CA -0.490 52.362 53.050 -0.331 0.000 0.773 281 N CB 1.677 40.066 38.487 -0.163 0.000 1.435 281 N HN 0.176 nan 8.380 nan 0.000 0.484 282 F N 0.081 119.891 119.950 -0.233 0.000 2.467 282 F HA 0.463 4.991 4.527 0.001 0.000 0.336 282 F C 0.624 176.317 175.800 -0.178 0.000 1.123 282 F CA -0.874 56.986 58.000 -0.233 0.000 0.964 282 F CB 1.537 40.352 39.000 -0.309 0.000 1.136 282 F HN 0.155 nan 8.300 nan 0.000 0.447 283 R N 3.751 124.251 120.500 0.000 0.000 2.215 283 R HA 0.667 5.008 4.340 0.001 0.000 0.337 283 R C -1.425 174.848 176.300 -0.045 0.000 1.010 283 R CA -0.483 55.578 56.100 -0.065 0.000 0.871 283 R CB 0.585 30.802 30.300 -0.139 0.000 1.134 283 R HN 0.605 nan 8.270 nan 0.000 0.477 284 V N 0.695 120.567 119.914 -0.069 0.000 2.881 284 V HA 0.622 4.743 4.120 0.001 0.000 0.316 284 V C -0.128 175.881 176.094 -0.142 0.000 1.070 284 V CA -0.854 61.391 62.300 -0.091 0.000 0.976 284 V CB 1.924 33.679 31.823 -0.112 0.000 1.038 284 V HN 0.655 nan 8.190 nan 0.000 0.446 285 T N 2.466 116.909 114.554 -0.185 0.000 2.856 285 T HA 0.680 5.030 4.350 0.001 0.000 0.292 285 T C 0.140 174.683 174.700 -0.261 0.000 0.980 285 T CA 0.266 62.194 62.100 -0.287 0.000 1.091 285 T CB 1.263 69.792 68.868 -0.566 0.000 0.936 285 T HN 1.356 nan 8.240 nan 0.000 0.503 286 A N 3.115 125.794 122.820 -0.235 0.000 2.256 286 A HA 0.628 4.948 4.320 0.001 0.000 0.317 286 A C 0.808 178.278 177.584 -0.189 0.000 1.318 286 A CA -0.784 51.141 52.037 -0.187 0.000 0.894 286 A CB 0.098 19.006 19.000 -0.153 0.000 1.165 286 A HN 0.901 nan 8.150 nan 0.000 0.525 287 T N -0.571 113.880 114.554 -0.171 0.000 2.888 287 T HA 0.313 4.663 4.350 0.001 0.000 0.283 287 T C 1.202 175.886 174.700 -0.027 0.000 1.013 287 T CA 0.373 62.383 62.100 -0.150 0.000 0.938 287 T CB 0.198 68.984 68.868 -0.136 0.000 1.298 287 T HN 0.775 nan 8.240 nan 0.000 0.580 288 H N -1.618 117.439 119.070 -0.021 0.000 2.512 288 H HA 0.169 4.725 4.556 0.000 0.000 0.279 288 H C 0.346 175.661 175.328 -0.020 0.000 0.999 288 H CA -0.129 55.907 56.048 -0.020 0.000 1.283 288 H CB 0.059 29.817 29.762 -0.006 0.000 1.421 288 H HN 0.502 nan 8.280 nan 0.000 0.554 289 D N 2.115 122.698 120.400 0.304 0.000 2.383 289 D HA -0.060 4.580 4.640 0.001 0.000 0.245 289 D C 1.043 177.373 176.300 0.049 0.000 1.263 289 D CA 0.086 54.181 54.000 0.159 0.000 0.936 289 D CB 1.167 42.080 40.800 0.188 0.000 1.053 289 D HN 0.503 nan 8.370 nan 0.000 0.507 290 Q N 3.055 122.838 119.800 -0.028 0.000 1.985 290 Q HA -0.234 4.107 4.340 0.001 0.000 0.207 290 Q C 1.157 177.008 176.000 -0.248 0.000 0.996 290 Q CA 1.812 57.502 55.803 -0.188 0.000 0.851 290 Q CB 0.007 28.512 28.738 -0.387 0.000 0.921 290 Q HN 0.528 nan 8.270 nan 0.000 0.418 291 F N 0.034 119.987 119.950 0.005 0.000 2.456 291 F HA -0.007 4.520 4.527 0.001 0.000 0.298 291 F C 1.924 177.630 175.800 -0.157 0.000 1.104 291 F CA 0.463 58.391 58.000 -0.121 0.000 1.435 291 F CB -0.001 38.856 39.000 -0.237 0.000 1.078 291 F HN 0.105 nan 8.300 nan 0.000 0.546 292 L N -0.862 120.404 121.223 0.071 0.000 2.109 292 L HA -0.162 4.178 4.340 0.001 0.000 0.207 292 L C 2.351 179.206 176.870 -0.025 0.000 1.086 292 L CA 1.283 56.137 54.840 0.024 0.000 0.760 292 L CB -0.778 41.318 42.059 0.061 0.000 0.910 292 L HN 0.083 nan 8.230 nan 0.000 0.437 293 T N 0.163 114.691 114.554 -0.043 0.000 2.708 293 T HA -0.150 4.200 4.350 0.001 0.000 0.266 293 T C 1.876 176.512 174.700 -0.107 0.000 1.037 293 T CA 1.407 63.456 62.100 -0.086 0.000 1.146 293 T CB -0.191 68.619 68.868 -0.097 0.000 0.865 293 T HN 0.160 nan 8.240 nan 0.000 0.435 294 I N 1.543 122.045 120.570 -0.113 0.000 2.127 294 I HA -0.223 3.948 4.170 0.001 0.000 0.241 294 I C 2.979 179.037 176.117 -0.098 0.000 1.075 294 I CA 1.348 62.578 61.300 -0.118 0.000 1.334 294 I CB -0.602 37.334 38.000 -0.106 0.000 1.040 294 I HN 0.188 nan 8.210 nan 0.000 0.405 295 A N 0.668 123.435 122.820 -0.088 0.000 1.908 295 A HA -0.281 4.040 4.320 0.001 0.000 0.218 295 A C 2.437 179.973 177.584 -0.081 0.000 1.181 295 A CA 2.153 54.133 52.037 -0.094 0.000 0.627 295 A CB -0.740 18.191 19.000 -0.114 0.000 0.818 295 A HN 0.402 nan 8.150 nan 0.000 0.445 296 R N -0.263 120.189 120.500 -0.080 0.000 2.075 296 R HA -0.018 4.322 4.340 0.001 0.000 0.232 296 R C 1.884 178.117 176.300 -0.110 0.000 1.126 296 R CA 1.397 57.444 56.100 -0.087 0.000 0.963 296 R CB -0.340 29.907 30.300 -0.088 0.000 0.858 296 R HN 0.530 nan 8.270 nan 0.000 0.435 297 L N -0.064 121.088 121.223 -0.119 0.000 2.141 297 L HA -0.081 4.260 4.340 0.001 0.000 0.209 297 L C 2.406 179.212 176.870 -0.107 0.000 1.094 297 L CA 1.287 56.048 54.840 -0.131 0.000 0.763 297 L CB -0.438 41.538 42.059 -0.139 0.000 0.908 297 L HN 0.229 nan 8.230 nan 0.000 0.437 298 R N 0.316 120.766 120.500 -0.084 0.000 2.119 298 R HA 0.017 4.357 4.340 0.001 0.000 0.222 298 R C 2.485 178.762 176.300 -0.038 0.000 1.088 298 R CA 1.032 57.101 56.100 -0.052 0.000 0.984 298 R CB -0.331 29.937 30.300 -0.052 0.000 0.884 298 R HN 0.276 nan 8.270 nan 0.000 0.447 299 A N 1.376 124.165 122.820 -0.052 0.000 1.930 299 A HA -0.119 4.201 4.320 0.001 0.000 0.217 299 A C 2.110 179.671 177.584 -0.039 0.000 1.175 299 A CA 0.844 52.861 52.037 -0.034 0.000 0.627 299 A CB -0.422 18.559 19.000 -0.031 0.000 0.815 299 A HN 0.234 nan 8.150 nan 0.000 0.443 300 L N -0.178 120.981 121.223 -0.107 0.000 1.989 300 L HA -0.241 4.099 4.340 0.001 0.000 0.211 300 L C 2.764 179.569 176.870 -0.108 0.000 1.071 300 L CA 2.024 56.746 54.840 -0.196 0.000 0.749 300 L CB -0.305 41.522 42.059 -0.387 0.000 0.890 300 L HN 0.363 nan 8.230 nan 0.000 0.431 301 R N -0.716 119.751 120.500 -0.055 0.000 2.091 301 R HA -0.235 4.106 4.340 0.001 0.000 0.238 301 R C 2.217 178.602 176.300 0.141 0.000 1.136 301 R CA 1.743 57.885 56.100 0.071 0.000 0.959 301 R CB -0.546 29.822 30.300 0.113 0.000 0.856 301 R HN 0.529 nan 8.270 nan 0.000 0.437 302 E N 0.854 121.114 120.200 0.099 0.000 2.051 302 E HA -0.205 4.145 4.350 0.001 0.000 0.192 302 E C 2.007 178.661 176.600 0.089 0.000 0.991 302 E CA 1.321 57.775 56.400 0.090 0.000 0.799 302 E CB -0.049 29.670 29.700 0.032 0.000 0.748 302 E HN 0.378 nan 8.360 nan 0.000 0.449 303 A N 1.174 124.063 122.820 0.114 0.000 1.898 303 A HA -0.179 4.141 4.320 0.001 0.000 0.216 303 A C 2.052 179.861 177.584 0.376 0.000 1.181 303 A CA 1.129 53.304 52.037 0.230 0.000 0.620 303 A CB -1.196 18.009 19.000 0.341 0.000 0.819 303 A HN 0.719 nan 8.150 nan 0.000 0.442 304 W N 0.559 121.899 121.300 0.066 0.000 2.388 304 W HA -0.108 4.553 4.660 0.001 0.000 0.294 304 W C 2.319 178.970 176.519 0.220 0.000 1.212 304 W CA 1.240 58.644 57.345 0.097 0.000 1.271 304 W CB -0.023 29.387 29.460 -0.083 0.000 1.126 304 W HN 0.447 nan 8.180 nan 0.000 0.535 305 A N 1.049 123.993 122.820 0.206 0.000 1.883 305 A HA -0.283 4.037 4.320 0.001 0.000 0.217 305 A C 1.845 179.494 177.584 0.109 0.000 1.186 305 A CA 2.213 54.319 52.037 0.116 0.000 0.624 305 A CB -0.976 18.167 19.000 0.238 0.000 0.822 305 A HN 0.263 nan 8.150 nan 0.000 0.444 306 R N 0.253 120.825 120.500 0.118 0.000 2.096 306 R HA -0.031 4.309 4.340 0.001 0.000 0.235 306 R C 1.713 178.137 176.300 0.208 0.000 1.127 306 R CA 1.698 57.856 56.100 0.097 0.000 0.968 306 R CB -0.836 29.433 30.300 -0.053 0.000 0.861 306 R HN 0.584 nan 8.270 nan 0.000 0.440 307 I N -0.294 120.466 120.570 0.317 0.000 2.163 307 I HA -0.199 3.972 4.170 0.001 0.000 0.243 307 I C 2.283 178.524 176.117 0.206 0.000 1.085 307 I CA 1.676 63.182 61.300 0.343 0.000 1.347 307 I CB -0.756 37.451 38.000 0.345 0.000 1.044 307 I HN 0.442 nan 8.210 nan 0.000 0.408 308 G N -0.061 108.722 108.800 -0.028 0.000 2.440 308 G HA2 -0.295 3.665 3.960 0.001 0.000 0.218 308 G HA3 -0.295 3.665 3.960 0.001 0.000 0.218 308 G C 1.563 176.354 174.900 -0.181 0.000 1.154 308 G CA 0.816 45.652 45.100 -0.441 0.000 0.767 308 G HN 0.436 nan 8.290 nan 0.000 0.552 309 E N -0.094 120.078 120.200 -0.047 0.000 2.077 309 E HA -0.107 4.243 4.350 0.001 0.000 0.193 309 E C 2.697 179.298 176.600 0.001 0.000 0.989 309 E CA 1.138 57.533 56.400 -0.009 0.000 0.800 309 E CB -0.045 29.669 29.700 0.023 0.000 0.746 309 E HN 0.298 nan 8.360 nan 0.000 0.452 310 V N 0.376 120.301 119.914 0.017 0.000 2.358 310 V HA -0.205 3.915 4.120 0.001 0.000 0.246 310 V C 1.892 177.938 176.094 -0.079 0.000 1.047 310 V CA 1.416 63.697 62.300 -0.032 0.000 1.035 310 V CB -0.496 31.306 31.823 -0.035 0.000 0.658 310 V HN 0.253 nan 8.190 nan 0.000 0.452 311 F N 0.774 120.691 119.950 -0.056 0.000 2.748 311 F HA 0.340 4.867 4.527 0.000 0.000 0.299 311 F C 1.916 177.642 175.800 -0.123 0.000 1.154 311 F CA 0.701 58.650 58.000 -0.086 0.000 1.446 311 F CB -0.392 38.522 39.000 -0.144 0.000 1.112 311 F HN 0.304 nan 8.300 nan 0.000 0.584 312 G N 0.575 109.395 108.800 0.034 0.000 2.137 312 G HA2 -0.249 3.712 3.960 0.001 0.000 0.237 312 G HA3 -0.249 3.712 3.960 0.001 0.000 0.237 312 G C 0.143 174.990 174.900 -0.087 0.000 1.002 312 G CA 0.095 45.185 45.100 -0.016 0.000 0.702 312 G HN 0.138 nan 8.290 nan 0.000 0.515 313 V N 1.048 120.830 119.914 -0.220 0.000 2.763 313 V HA 0.191 4.312 4.120 0.001 0.000 0.306 313 V C 0.904 176.904 176.094 -0.158 0.000 1.059 313 V CA -0.413 61.696 62.300 -0.318 0.000 1.138 313 V CB 0.686 32.051 31.823 -0.763 0.000 0.940 313 V HN 0.353 nan 8.190 nan 0.000 0.489 314 D N 3.258 123.604 120.400 -0.090 0.000 2.525 314 D HA -0.040 4.600 4.640 0.001 0.000 0.235 314 D C 1.449 177.754 176.300 0.009 0.000 1.137 314 D CA 0.382 54.370 54.000 -0.019 0.000 0.868 314 D CB 0.632 41.439 40.800 0.011 0.000 1.180 314 D HN 0.841 nan 8.370 nan 0.000 0.465 315 E N 1.829 122.056 120.200 0.046 0.000 2.097 315 E HA -0.289 4.061 4.350 0.001 0.000 0.196 315 E C 0.887 177.617 176.600 0.218 0.000 1.000 315 E CA 1.364 57.829 56.400 0.109 0.000 0.804 315 E CB -0.114 29.638 29.700 0.087 0.000 0.740 315 E HN 0.507 nan 8.360 nan 0.000 0.454 316 D N 1.108 121.623 120.400 0.192 0.000 2.347 316 D HA -0.114 4.526 4.640 0.001 0.000 0.215 316 D C 1.042 177.520 176.300 0.296 0.000 0.976 316 D CA 0.665 54.826 54.000 0.267 0.000 0.884 316 D CB -0.039 40.853 40.800 0.154 0.000 0.915 316 D HN 0.220 nan 8.370 nan 0.000 0.526 317 K N -0.214 120.291 120.400 0.175 0.000 2.440 317 K HA 0.275 4.595 4.320 0.001 0.000 0.206 317 K C 1.258 177.897 176.600 0.065 0.000 1.025 317 K CA -0.250 56.112 56.287 0.125 0.000 1.135 317 K CB 0.669 33.228 32.500 0.098 0.000 0.856 317 K HN -0.042 nan 8.250 nan 0.000 0.502 318 R N 0.265 120.712 120.500 -0.089 0.000 2.310 318 R HA 0.067 4.407 4.340 0.001 0.000 0.202 318 R C 0.733 176.683 176.300 -0.584 0.000 0.933 318 R CA 0.010 55.976 56.100 -0.222 0.000 1.054 318 R CB 0.415 30.622 30.300 -0.155 0.000 0.985 318 R HN 0.026 nan 8.270 nan 0.000 0.489 319 G N 0.940 109.159 108.800 -0.968 0.000 2.349 319 G HA2 0.416 4.376 3.960 0.001 0.000 0.281 319 G HA3 0.416 4.376 3.960 0.001 0.000 0.281 319 G C -0.144 174.784 174.900 0.046 0.000 1.182 319 G CA -0.487 44.194 45.100 -0.699 0.000 0.899 319 G HN 0.234 nan 8.290 nan 0.000 0.455 320 A N 3.587 126.520 122.820 0.189 0.000 2.498 320 A HA 0.467 4.787 4.320 0.001 0.000 0.239 320 A C 0.725 178.354 177.584 0.075 0.000 1.068 320 A CA -0.014 52.093 52.037 0.117 0.000 0.766 320 A CB 0.296 19.145 19.000 -0.251 0.000 1.003 320 A HN 0.717 nan 8.150 nan 0.000 0.497 321 R N 1.884 122.450 120.500 0.111 0.000 2.288 321 R HA 0.329 4.669 4.340 0.001 0.000 0.326 321 R C -0.903 175.441 176.300 0.073 0.000 0.959 321 R CA -0.122 56.023 56.100 0.075 0.000 0.834 321 R CB 1.368 31.705 30.300 0.061 0.000 1.157 321 R HN 0.835 nan 8.270 nan 0.000 0.470 322 Q N 2.023 121.835 119.800 0.021 0.000 2.322 322 Q HA 0.320 4.660 4.340 0.001 0.000 0.265 322 Q C -0.716 175.268 176.000 -0.028 0.000 0.985 322 Q CA -0.768 55.031 55.803 -0.007 0.000 0.849 322 Q CB 2.107 30.800 28.738 -0.074 0.000 1.274 322 Q HN 0.390 nan 8.270 nan 0.000 0.449 323 N N 1.788 120.466 118.700 -0.037 0.000 2.609 323 N HA 0.304 5.044 4.740 0.001 0.000 0.234 323 N C -1.065 174.393 175.510 -0.086 0.000 1.001 323 N CA -0.132 52.884 53.050 -0.056 0.000 0.926 323 N CB 1.571 40.018 38.487 -0.066 0.000 1.130 323 N HN 0.548 nan 8.380 nan 0.000 0.510 324 A N 2.725 125.487 122.820 -0.097 0.000 2.363 324 A HA 0.493 4.813 4.320 0.001 0.000 0.270 324 A C 0.137 177.650 177.584 -0.118 0.000 1.121 324 A CA -0.388 51.575 52.037 -0.123 0.000 0.800 324 A CB 0.383 19.292 19.000 -0.152 0.000 1.052 324 A HN 0.745 nan 8.150 nan 0.000 0.493 325 I N 1.917 122.409 120.570 -0.131 0.000 2.545 325 I HA 0.462 4.632 4.170 0.001 0.000 0.292 325 I C 0.659 176.708 176.117 -0.114 0.000 1.040 325 I CA -0.311 60.920 61.300 -0.114 0.000 1.068 325 I CB 2.208 40.129 38.000 -0.131 0.000 1.251 325 I HN 0.824 nan 8.210 nan 0.000 0.424 326 T N 2.721 117.229 114.554 -0.076 0.000 2.898 326 T HA 0.153 4.504 4.350 0.001 0.000 0.301 326 T C 0.378 175.042 174.700 -0.060 0.000 1.049 326 T CA -0.471 61.585 62.100 -0.074 0.000 1.095 326 T CB 1.150 69.996 68.868 -0.037 0.000 0.976 326 T HN 0.615 nan 8.240 nan 0.000 0.539 327 S N 1.760 117.404 115.700 -0.092 0.000 2.546 327 S HA 0.007 4.477 4.470 0.001 0.000 0.290 327 S C 0.520 175.154 174.600 0.058 0.000 1.262 327 S CA -0.527 57.650 58.200 -0.038 0.000 1.083 327 S CB -0.410 62.765 63.200 -0.042 0.000 0.859 327 S HN 0.898 nan 8.310 nan 0.000 0.495 328 W N 6.068 127.332 121.300 -0.061 0.000 2.494 328 W HA 0.100 4.760 4.660 0.000 0.000 0.286 328 W C 2.169 178.643 176.519 -0.075 0.000 1.218 328 W CA 0.528 57.826 57.345 -0.078 0.000 1.313 328 W CB -0.227 29.146 29.460 -0.145 0.000 1.105 328 W HN 0.787 nan 8.180 nan 0.000 0.561 329 R N 0.728 121.149 120.500 -0.133 0.000 2.127 329 R HA -0.187 4.154 4.340 0.001 0.000 0.238 329 R C 1.576 177.674 176.300 -0.337 0.000 1.134 329 R CA 2.074 57.956 56.100 -0.364 0.000 0.975 329 R CB -0.304 29.837 30.300 -0.264 0.000 0.865 329 R HN 0.307 nan 8.270 nan 0.000 0.447 330 E N -0.056 120.018 120.200 -0.210 0.000 2.478 330 E HA 0.029 4.380 4.350 0.001 0.000 0.194 330 E C -0.086 176.432 176.600 -0.137 0.000 1.045 330 E CA -0.197 56.104 56.400 -0.165 0.000 0.868 330 E CB 0.194 29.770 29.700 -0.206 0.000 0.885 330 E HN 0.279 nan 8.360 nan 0.000 0.505 331 L N 1.608 122.701 121.223 -0.218 0.000 2.461 331 L HA 0.096 4.436 4.340 0.001 0.000 0.272 331 L C 0.743 177.525 176.870 -0.146 0.000 1.197 331 L CA -0.041 54.704 54.840 -0.158 0.000 0.836 331 L CB 0.423 42.376 42.059 -0.178 0.000 1.105 331 L HN 0.003 nan 8.230 nan 0.000 0.477 332 T N -1.385 113.137 114.554 -0.053 0.000 2.912 332 T HA 0.361 4.712 4.350 0.001 0.000 0.288 332 T C 0.585 175.287 174.700 0.004 0.000 1.030 332 T CA -0.909 61.179 62.100 -0.019 0.000 1.020 332 T CB 2.221 71.101 68.868 0.021 0.000 1.056 332 T HN 0.663 nan 8.240 nan 0.000 0.480 333 R N 0.458 120.969 120.500 0.019 0.000 2.080 333 R HA 0.092 4.432 4.340 0.001 0.000 0.222 333 R C -0.010 176.321 176.300 0.052 0.000 1.107 333 R CA 0.586 56.709 56.100 0.037 0.000 0.980 333 R CB -0.013 30.314 30.300 0.046 0.000 0.879 333 R HN 0.671 nan 8.270 nan 0.000 0.439 334 E N 1.670 121.904 120.200 0.057 0.000 2.360 334 E HA 0.009 4.360 4.350 0.001 0.000 0.269 334 E C -0.851 175.794 176.600 0.076 0.000 1.022 334 E CA 0.313 56.752 56.400 0.065 0.000 0.887 334 E CB 0.607 30.342 29.700 0.058 0.000 0.990 334 E HN 0.133 nan 8.360 nan 0.000 0.426 335 D N 3.602 124.061 120.400 0.098 0.000 3.038 335 D HA -0.137 4.503 4.640 0.001 0.000 0.229 335 D C -1.801 174.589 176.300 0.150 0.000 1.182 335 D CA 0.139 54.217 54.000 0.131 0.000 0.852 335 D CB 0.018 40.876 40.800 0.095 0.000 0.932 335 D HN 0.304 nan 8.370 nan 0.000 0.406 336 P HA -0.134 nan 4.420 nan 0.000 0.225 336 P C 1.389 178.808 177.300 0.200 0.000 1.156 336 P CA 0.782 63.985 63.100 0.173 0.000 0.787 336 P CB -0.084 31.696 31.700 0.133 0.000 0.802 337 Y N -0.141 120.241 120.300 0.137 0.000 2.483 337 Y HA -0.109 4.441 4.550 0.001 0.000 0.291 337 Y C 2.429 178.286 175.900 -0.071 0.000 1.143 337 Y CA 0.580 58.622 58.100 -0.098 0.000 1.289 337 Y CB -1.224 37.161 38.460 -0.126 0.000 0.983 337 Y HN -0.232 nan 8.280 nan 0.000 0.556 338 V N 0.270 120.253 119.914 0.116 0.000 2.759 338 V HA -0.272 3.849 4.120 0.001 0.000 0.256 338 V C 1.697 177.822 176.094 0.052 0.000 1.080 338 V CA 1.554 63.893 62.300 0.066 0.000 1.101 338 V CB -0.478 31.382 31.823 0.062 0.000 0.698 338 V HN 0.527 nan 8.190 nan 0.000 0.477 339 N N 0.385 119.127 118.700 0.070 0.000 2.381 339 N HA -0.036 4.705 4.740 0.001 0.000 0.182 339 N C 1.724 177.270 175.510 0.059 0.000 1.025 339 N CA 1.173 54.266 53.050 0.072 0.000 0.888 339 N CB -0.167 38.383 38.487 0.106 0.000 0.965 339 N HN 0.469 nan 8.380 nan 0.000 0.438 340 I N 0.990 121.567 120.570 0.012 0.000 2.163 340 I HA -0.275 3.896 4.170 0.001 0.000 0.243 340 I C 1.965 178.077 176.117 -0.009 0.000 1.085 340 I CA 1.137 62.417 61.300 -0.033 0.000 1.347 340 I CB -0.377 37.543 38.000 -0.134 0.000 1.044 340 I HN 0.049 nan 8.210 nan 0.000 0.408 341 L N 0.038 121.258 121.223 -0.004 0.000 2.093 341 L HA -0.136 4.204 4.340 0.001 0.000 0.208 341 L C 2.733 179.607 176.870 0.007 0.000 1.085 341 L CA 1.196 56.033 54.840 -0.005 0.000 0.755 341 L CB -0.636 41.419 42.059 -0.006 0.000 0.904 341 L HN 0.109 nan 8.230 nan 0.000 0.435 342 R N 0.192 120.708 120.500 0.026 0.000 2.081 342 R HA -0.105 4.236 4.340 0.001 0.000 0.235 342 R C 2.382 178.698 176.300 0.026 0.000 1.131 342 R CA 1.354 57.479 56.100 0.042 0.000 0.960 342 R CB -0.567 29.765 30.300 0.053 0.000 0.856 342 R HN 0.444 nan 8.270 nan 0.000 0.436 343 G N -0.776 108.038 108.800 0.023 0.000 2.421 343 G HA2 -0.180 3.780 3.960 0.001 0.000 0.217 343 G HA3 -0.180 3.780 3.960 0.001 0.000 0.217 343 G C 1.379 176.291 174.900 0.019 0.000 1.143 343 G CA 0.473 45.584 45.100 0.019 0.000 0.784 343 G HN 0.204 nan 8.290 nan 0.000 0.541 344 S N 0.224 115.934 115.700 0.017 0.000 2.353 344 S HA -0.112 4.358 4.470 0.001 0.000 0.222 344 S C 2.182 176.793 174.600 0.019 0.000 1.035 344 S CA 1.136 59.347 58.200 0.020 0.000 1.025 344 S CB -0.267 62.931 63.200 -0.004 0.000 0.902 344 S HN 0.390 nan 8.310 nan 0.000 0.440 345 I N 0.924 121.487 120.570 -0.013 0.000 2.439 345 I HA -0.129 4.042 4.170 0.001 0.000 0.251 345 I C 2.256 178.388 176.117 0.025 0.000 1.139 345 I CA 0.965 62.246 61.300 -0.031 0.000 1.438 345 I CB -0.292 37.665 38.000 -0.071 0.000 1.085 345 I HN 0.288 nan 8.210 nan 0.000 0.427 346 A N -0.249 122.576 122.820 0.007 0.000 1.930 346 A HA -0.156 4.164 4.320 0.001 0.000 0.217 346 A C 2.246 179.798 177.584 -0.053 0.000 1.175 346 A CA 2.155 54.177 52.037 -0.026 0.000 0.627 346 A CB -1.007 17.970 19.000 -0.037 0.000 0.815 346 A HN 0.430 nan 8.150 nan 0.000 0.443 347 T N -0.807 113.728 114.554 -0.032 0.000 2.777 347 T HA -0.077 4.274 4.350 0.001 0.000 0.266 347 T C 1.589 176.204 174.700 -0.142 0.000 1.040 347 T CA 1.365 63.417 62.100 -0.079 0.000 1.141 347 T CB -0.388 68.480 68.868 -0.001 0.000 0.868 347 T HN 0.488 nan 8.240 nan 0.000 0.444 348 F N 2.386 122.224 119.950 -0.187 0.000 2.046 348 F HA -0.193 4.334 4.527 0.001 0.000 0.297 348 F C 2.529 178.172 175.800 -0.263 0.000 1.123 348 F CA 1.625 59.501 58.000 -0.207 0.000 1.199 348 F CB -0.573 38.340 39.000 -0.144 0.000 0.972 348 F HN 0.036 nan 8.300 nan 0.000 0.474 349 S N 0.699 116.390 115.700 -0.015 0.000 2.370 349 S HA -0.235 4.236 4.470 0.001 0.000 0.226 349 S C 2.289 176.727 174.600 -0.269 0.000 1.033 349 S CA 1.202 59.317 58.200 -0.141 0.000 1.011 349 S CB -1.046 62.116 63.200 -0.063 0.000 0.852 349 S HN 0.589 nan 8.310 nan 0.000 0.457 350 A N 1.116 123.771 122.820 -0.275 0.000 1.908 350 A HA -0.124 4.197 4.320 0.001 0.000 0.218 350 A C 2.319 179.645 177.584 -0.430 0.000 1.181 350 A CA 2.055 53.905 52.037 -0.311 0.000 0.627 350 A CB -1.112 17.713 19.000 -0.292 0.000 0.818 350 A HN 0.500 nan 8.150 nan 0.000 0.445 351 S N -0.589 114.725 115.700 -0.643 0.000 2.368 351 S HA -0.124 4.346 4.470 0.001 0.000 0.225 351 S C 1.864 176.147 174.600 -0.528 0.000 1.030 351 S CA 1.724 59.437 58.200 -0.813 0.000 0.999 351 S CB -0.507 61.894 63.200 -1.331 0.000 0.844 351 S HN 0.305 nan 8.310 nan 0.000 0.459 352 V N 1.501 121.087 119.914 -0.546 0.000 2.515 352 V HA 0.016 4.136 4.120 0.001 0.000 0.250 352 V C 2.703 178.638 176.094 -0.267 0.000 1.058 352 V CA 1.603 63.649 62.300 -0.423 0.000 1.064 352 V CB -1.407 30.096 31.823 -0.533 0.000 0.675 352 V HN 0.641 nan 8.190 nan 0.000 0.461 353 G N -0.384 108.266 108.800 -0.250 0.000 2.598 353 G HA2 0.227 4.187 3.960 0.001 0.000 0.215 353 G HA3 0.227 4.187 3.960 0.001 0.000 0.215 353 G C 1.243 176.055 174.900 -0.147 0.000 1.131 353 G CA 0.737 45.729 45.100 -0.180 0.000 0.785 353 G HN 1.051 nan 8.290 nan 0.000 0.539 354 G N -1.187 107.519 108.800 -0.157 0.000 2.142 354 G HA2 0.160 4.120 3.960 0.001 0.000 0.225 354 G HA3 0.160 4.120 3.960 0.001 0.000 0.225 354 G C 0.384 175.235 174.900 -0.083 0.000 1.015 354 G CA 0.144 45.188 45.100 -0.094 0.000 0.716 354 G HN 1.335 nan 8.290 nan 0.000 0.508 355 A N -0.444 122.290 122.820 -0.144 0.000 2.488 355 A HA 0.624 4.945 4.320 0.001 0.000 0.249 355 A C 1.258 178.816 177.584 -0.043 0.000 1.083 355 A CA 1.176 53.145 52.037 -0.114 0.000 0.768 355 A CB 0.315 19.215 19.000 -0.168 0.000 1.017 355 A HN 0.430 nan 8.150 nan 0.000 0.496 356 E N 1.118 121.321 120.200 0.006 0.000 2.047 356 E HA -0.051 4.299 4.350 0.001 0.000 0.191 356 E C 1.049 177.710 176.600 0.102 0.000 0.987 356 E CA 1.819 58.256 56.400 0.062 0.000 0.799 356 E CB -0.020 29.711 29.700 0.052 0.000 0.752 356 E HN 0.785 nan 8.360 nan 0.000 0.449 357 S N -0.741 114.997 115.700 0.063 0.000 2.566 357 S HA 0.676 5.147 4.470 0.001 0.000 0.298 357 S C -0.466 174.161 174.600 0.044 0.000 1.083 357 S CA -0.970 57.291 58.200 0.100 0.000 0.978 357 S CB 1.468 64.705 63.200 0.062 0.000 1.073 357 S HN 0.051 nan 8.310 nan 0.000 0.491 358 I N 1.666 122.295 120.570 0.099 0.000 2.466 358 I HA 0.375 4.545 4.170 0.001 0.000 0.289 358 I C -0.693 175.454 176.117 0.050 0.000 1.026 358 I CA -0.361 60.938 61.300 -0.002 0.000 1.078 358 I CB 2.609 40.521 38.000 -0.147 0.000 1.249 358 I HN 0.667 nan 8.210 nan 0.000 0.429 359 T N 3.706 118.256 114.554 -0.007 0.000 2.809 359 T HA 0.314 4.664 4.350 0.001 0.000 0.296 359 T C -0.180 174.518 174.700 -0.004 0.000 1.015 359 T CA -0.464 61.637 62.100 0.001 0.000 0.954 359 T CB 0.983 69.831 68.868 -0.033 0.000 0.950 359 T HN 0.438 nan 8.240 nan 0.000 0.450 360 T N 5.075 119.641 114.554 0.021 0.000 2.728 360 T HA 0.380 4.730 4.350 0.001 0.000 0.296 360 T C 0.660 175.375 174.700 0.025 0.000 0.940 360 T CA -0.629 61.484 62.100 0.021 0.000 1.013 360 T CB 0.250 69.142 68.868 0.040 0.000 0.912 360 T HN 0.381 nan 8.240 nan 0.000 0.484 361 L N 5.748 126.989 121.223 0.031 0.000 2.490 361 L HA 0.218 4.559 4.340 0.001 0.000 0.274 361 L C -1.699 175.203 176.870 0.054 0.000 1.201 361 L CA -1.864 53.009 54.840 0.055 0.000 0.869 361 L CB -0.053 42.058 42.059 0.087 0.000 1.123 361 L HN 0.343 nan 8.230 nan 0.000 0.484 362 P HA -0.068 nan 4.420 nan 0.000 0.269 362 P C 0.375 177.692 177.300 0.028 0.000 1.215 362 P CA -0.163 62.945 63.100 0.015 0.000 0.780 362 P CB 0.329 32.004 31.700 -0.043 0.000 0.898 363 F N 0.139 120.025 119.950 -0.107 0.000 2.325 363 F HA -0.085 4.443 4.527 0.001 0.000 0.299 363 F C 1.524 177.254 175.800 -0.116 0.000 1.090 363 F CA 1.321 59.245 58.000 -0.126 0.000 1.392 363 F CB -1.950 36.926 39.000 -0.205 0.000 1.053 363 F HN 0.229 nan 8.300 nan 0.000 0.521 364 T N -2.525 111.613 114.554 -0.694 0.000 3.163 364 T HA -0.074 4.276 4.350 0.001 0.000 0.260 364 T C 1.502 176.088 174.700 -0.190 0.000 1.156 364 T CA 0.774 62.555 62.100 -0.533 0.000 1.072 364 T CB -0.442 68.057 68.868 -0.615 0.000 0.937 364 T HN 0.350 nan 8.240 nan 0.000 0.528 365 Q N 1.323 121.113 119.800 -0.017 0.000 2.364 365 Q HA 0.243 4.583 4.340 0.001 0.000 0.207 365 Q C 2.105 178.323 176.000 0.363 0.000 0.970 365 Q CA 1.149 57.085 55.803 0.221 0.000 0.888 365 Q CB -0.667 28.218 28.738 0.245 0.000 0.951 365 Q HN 0.715 nan 8.270 nan 0.000 0.469 366 A N -1.142 121.789 122.820 0.184 0.000 2.081 366 A HA 0.126 4.446 4.320 0.001 0.000 0.214 366 A C 1.628 179.342 177.584 0.216 0.000 1.158 366 A CA 0.361 52.513 52.037 0.191 0.000 0.724 366 A CB -0.031 18.981 19.000 0.019 0.000 0.826 366 A HN 0.385 nan 8.150 nan 0.000 0.463 367 L N -1.798 119.469 121.223 0.073 0.000 2.189 367 L HA 0.412 4.752 4.340 0.001 0.000 0.199 367 L C 1.411 178.146 176.870 -0.225 0.000 1.074 367 L CA 0.708 55.529 54.840 -0.033 0.000 0.783 367 L CB -0.349 41.648 42.059 -0.103 0.000 0.955 367 L HN 0.491 nan 8.230 nan 0.000 0.460 368 G N -0.842 107.631 108.800 -0.545 0.000 2.356 368 G HA2 0.338 4.298 3.960 0.001 0.000 0.281 368 G HA3 0.338 4.298 3.960 0.001 0.000 0.281 368 G C -1.853 172.480 174.900 -0.944 0.000 1.246 368 G CA -0.897 43.475 45.100 -1.213 0.000 0.889 368 G HN -0.097 nan 8.290 nan 0.000 0.486 369 L N 1.791 122.591 121.223 -0.706 0.000 2.334 369 L HA 0.452 4.792 4.340 0.001 0.000 0.277 369 L C -2.003 174.708 176.870 -0.264 0.000 1.075 369 L CA -1.813 52.821 54.840 -0.344 0.000 0.804 369 L CB 1.512 43.434 42.059 -0.230 0.000 1.174 369 L HN 0.229 nan 8.230 nan 0.000 0.438 370 P HA -0.038 nan 4.420 nan 0.000 0.263 370 P C -0.049 177.192 177.300 -0.099 0.000 1.175 370 P CA 0.260 63.311 63.100 -0.081 0.000 0.761 370 P CB 0.611 32.346 31.700 0.060 0.000 0.794 371 E N 0.993 121.174 120.200 -0.033 0.000 2.190 371 E HA -0.081 4.270 4.350 0.001 0.000 0.191 371 E C 0.258 176.973 176.600 0.191 0.000 0.978 371 E CA 0.957 57.338 56.400 -0.031 0.000 0.839 371 E CB 0.312 30.008 29.700 -0.006 0.000 0.787 371 E HN 0.661 nan 8.360 nan 0.000 0.473 372 D N -1.531 119.050 120.400 0.301 0.000 3.224 372 D HA 0.026 4.666 4.640 0.001 0.000 0.268 372 D C 0.096 176.587 176.300 0.319 0.000 1.310 372 D CA -0.535 53.682 54.000 0.361 0.000 1.035 372 D CB -0.231 40.704 40.800 0.224 0.000 1.293 372 D HN -0.290 nan 8.370 nan 0.000 0.630 373 D N -2.185 118.333 120.400 0.197 0.000 2.350 373 D HA 0.102 4.742 4.640 0.001 0.000 0.213 373 D C 1.279 177.700 176.300 0.202 0.000 1.031 373 D CA -0.224 53.864 54.000 0.147 0.000 0.861 373 D CB -0.100 40.745 40.800 0.074 0.000 0.926 373 D HN 0.211 nan 8.370 nan 0.000 0.520 374 F N 2.359 122.375 119.950 0.111 0.000 2.027 374 F HA -0.133 4.394 4.527 0.001 0.000 0.297 374 F C -1.056 174.854 175.800 0.183 0.000 1.129 374 F CA 1.440 59.525 58.000 0.142 0.000 1.195 374 F CB -1.506 37.592 39.000 0.164 0.000 0.960 374 F HN 0.038 nan 8.300 nan 0.000 0.485 375 P HA -0.128 nan 4.420 nan 0.000 0.218 375 P C 2.201 179.454 177.300 -0.079 0.000 1.149 375 P CA 1.695 64.672 63.100 -0.205 0.000 0.817 375 P CB -0.248 31.241 31.700 -0.353 0.000 0.785 376 L N -0.720 120.496 121.223 -0.012 0.000 2.056 376 L HA -0.045 4.296 4.340 0.001 0.000 0.207 376 L C 2.970 179.846 176.870 0.010 0.000 1.078 376 L CA 1.250 56.091 54.840 0.003 0.000 0.749 376 L CB -0.683 41.398 42.059 0.038 0.000 0.901 376 L HN -0.116 nan 8.230 nan 0.000 0.433 377 R N 0.430 120.948 120.500 0.029 0.000 2.120 377 R HA -0.149 4.191 4.340 0.001 0.000 0.234 377 R C 2.189 178.500 176.300 0.018 0.000 1.123 377 R CA 1.175 57.300 56.100 0.042 0.000 0.975 377 R CB 0.059 30.413 30.300 0.090 0.000 0.866 377 R HN 0.247 nan 8.270 nan 0.000 0.446 378 I N 0.659 121.208 120.570 -0.035 0.000 2.353 378 I HA -0.111 4.059 4.170 0.001 0.000 0.248 378 I C 2.510 178.629 176.117 0.003 0.000 1.119 378 I CA 1.146 62.423 61.300 -0.039 0.000 1.417 378 I CB -1.562 36.358 38.000 -0.134 0.000 1.078 378 I HN 0.195 nan 8.210 nan 0.000 0.421 379 A N 2.325 125.152 122.820 0.012 0.000 1.873 379 A HA -0.252 4.068 4.320 0.001 0.000 0.218 379 A C 2.513 180.120 177.584 0.039 0.000 1.193 379 A CA 2.387 54.439 52.037 0.026 0.000 0.629 379 A CB -0.786 18.221 19.000 0.012 0.000 0.826 379 A HN 0.536 nan 8.150 nan 0.000 0.447 380 R N -1.037 119.484 120.500 0.035 0.000 2.148 380 R HA -0.062 4.278 4.340 0.001 0.000 0.223 380 R C 1.260 177.593 176.300 0.054 0.000 1.088 380 R CA 1.630 57.759 56.100 0.048 0.000 0.985 380 R CB -0.529 29.795 30.300 0.040 0.000 0.880 380 R HN 0.386 nan 8.270 nan 0.000 0.451 381 N N 0.513 119.242 118.700 0.047 0.000 2.354 381 N HA -0.052 4.688 4.740 0.001 0.000 0.179 381 N C 1.238 176.788 175.510 0.066 0.000 1.021 381 N CA 1.545 54.624 53.050 0.049 0.000 0.887 381 N CB -0.303 38.210 38.487 0.044 0.000 0.974 381 N HN 0.254 nan 8.380 nan 0.000 0.437 382 T N -0.061 114.536 114.554 0.071 0.000 2.580 382 T HA -0.158 4.192 4.350 0.001 0.000 0.265 382 T C 1.905 176.698 174.700 0.156 0.000 1.063 382 T CA 1.824 63.979 62.100 0.092 0.000 1.170 382 T CB -0.871 68.043 68.868 0.076 0.000 0.863 382 T HN 0.385 nan 8.240 nan 0.000 0.418 383 G N 0.739 109.661 108.800 0.204 0.000 2.408 383 G HA2 -0.102 3.858 3.960 0.001 0.000 0.217 383 G HA3 -0.102 3.858 3.960 0.001 0.000 0.217 383 G C 1.588 176.630 174.900 0.236 0.000 1.150 383 G CA 0.494 45.821 45.100 0.378 0.000 0.776 383 G HN 0.507 nan 8.290 nan 0.000 0.542 384 I N 0.294 120.913 120.570 0.082 0.000 2.226 384 I HA -0.154 4.017 4.170 0.001 0.000 0.245 384 I C 2.725 178.853 176.117 0.018 0.000 1.100 384 I CA 0.510 61.803 61.300 -0.011 0.000 1.374 384 I CB -0.186 37.807 38.000 -0.012 0.000 1.057 384 I HN 0.027 nan 8.210 nan 0.000 0.413 385 V N 0.751 120.704 119.914 0.065 0.000 2.379 385 V HA -0.234 3.887 4.120 0.001 0.000 0.245 385 V C 2.365 178.524 176.094 0.109 0.000 1.044 385 V CA 1.494 63.835 62.300 0.069 0.000 1.036 385 V CB -0.334 31.528 31.823 0.065 0.000 0.664 385 V HN 0.343 nan 8.190 nan 0.000 0.453 386 L N -0.086 121.248 121.223 0.185 0.000 2.012 386 L HA -0.208 4.133 4.340 0.001 0.000 0.210 386 L C 2.697 179.744 176.870 0.294 0.000 1.073 386 L CA 1.816 56.824 54.840 0.280 0.000 0.748 386 L CB -0.707 41.584 42.059 0.388 0.000 0.891 386 L HN 0.377 nan 8.230 nan 0.000 0.431 387 A N -0.438 122.485 122.820 0.170 0.000 1.855 387 A HA -0.185 4.136 4.320 0.001 0.000 0.215 387 A C 2.123 179.671 177.584 -0.060 0.000 1.191 387 A CA 1.614 53.577 52.037 -0.123 0.000 0.613 387 A CB -0.343 18.251 19.000 -0.677 0.000 0.829 387 A HN 0.462 nan 8.150 nan 0.000 0.442 388 E N -1.124 119.046 120.200 -0.052 0.000 2.340 388 E HA -0.012 4.338 4.350 0.001 0.000 0.194 388 E C 1.403 178.005 176.600 0.002 0.000 0.996 388 E CA 0.651 57.029 56.400 -0.036 0.000 0.869 388 E CB 0.169 29.840 29.700 -0.048 0.000 0.835 388 E HN 0.726 nan 8.360 nan 0.000 0.493 389 E N -0.044 120.173 120.200 0.029 0.000 2.391 389 E HA 0.019 4.369 4.350 0.001 0.000 0.206 389 E C 1.820 178.452 176.600 0.053 0.000 0.851 389 E CA 0.156 56.578 56.400 0.036 0.000 1.059 389 E CB 0.934 30.655 29.700 0.036 0.000 1.065 389 E HN -0.026 nan 8.360 nan 0.000 0.512 390 V N 0.942 120.905 119.914 0.081 0.000 3.052 390 V HA -0.033 4.087 4.120 0.001 0.000 0.254 390 V C 0.029 176.184 176.094 0.102 0.000 1.100 390 V CA 0.674 63.037 62.300 0.105 0.000 1.112 390 V CB -0.787 31.129 31.823 0.155 0.000 0.738 390 V HN 0.321 nan 8.190 nan 0.000 0.469 391 N N 0.158 118.913 118.700 0.091 0.000 2.714 391 N HA -0.226 4.514 4.740 0.001 0.000 0.253 391 N C 0.614 176.183 175.510 0.100 0.000 1.024 391 N CA 0.814 53.910 53.050 0.076 0.000 0.726 391 N CB -1.112 37.405 38.487 0.050 0.000 0.908 391 N HN 0.768 nan 8.380 nan 0.000 0.542 392 I N -5.444 115.217 120.570 0.152 0.000 3.427 392 I HA 0.248 4.418 4.170 0.001 0.000 0.288 392 I C 1.944 178.139 176.117 0.131 0.000 1.249 392 I CA 0.651 62.016 61.300 0.108 0.000 1.421 392 I CB 0.167 38.189 38.000 0.036 0.000 1.086 392 I HN 0.163 nan 8.210 nan 0.000 0.448 393 G N 1.063 110.021 108.800 0.264 0.000 2.985 393 G HA2 0.032 3.993 3.960 0.001 0.000 0.209 393 G HA3 0.032 3.993 3.960 0.001 0.000 0.209 393 G C 1.563 176.537 174.900 0.123 0.000 1.165 393 G CA -0.243 45.025 45.100 0.279 0.000 0.776 393 G HN 0.130 nan 8.290 nan 0.000 0.541 394 R N -0.083 120.463 120.500 0.076 0.000 2.120 394 R HA 0.005 4.345 4.340 0.001 0.000 0.234 394 R C 0.362 176.685 176.300 0.039 0.000 1.123 394 R CA 0.460 56.587 56.100 0.045 0.000 0.975 394 R CB -0.461 29.860 30.300 0.035 0.000 0.866 394 R HN 0.272 nan 8.270 nan 0.000 0.446 395 V N 2.644 122.579 119.914 0.035 0.000 2.459 395 V HA 0.179 4.299 4.120 0.001 0.000 0.295 395 V C 0.045 176.149 176.094 0.015 0.000 1.029 395 V CA -0.992 61.321 62.300 0.021 0.000 0.874 395 V CB 1.943 33.772 31.823 0.009 0.000 0.985 395 V HN 0.152 nan 8.190 nan 0.000 0.438 396 N N 3.236 121.946 118.700 0.016 0.000 2.475 396 N HA 0.066 4.807 4.740 0.001 0.000 0.267 396 N C 0.029 175.530 175.510 -0.016 0.000 1.169 396 N CA 0.182 53.238 53.050 0.010 0.000 0.947 396 N CB 0.482 38.982 38.487 0.022 0.000 1.061 396 N HN 0.891 nan 8.380 nan 0.000 0.466 397 D N 1.764 122.144 120.400 -0.033 0.000 3.038 397 D HA -0.118 4.522 4.640 0.001 0.000 0.229 397 D C -1.607 174.660 176.300 -0.054 0.000 1.182 397 D CA -0.207 53.762 54.000 -0.053 0.000 0.852 397 D CB 0.127 40.899 40.800 -0.048 0.000 0.932 397 D HN 0.386 nan 8.370 nan 0.000 0.406 398 P HA -0.081 nan 4.420 nan 0.000 0.220 398 P C 1.137 178.416 177.300 -0.035 0.000 1.148 398 P CA 1.574 64.647 63.100 -0.045 0.000 0.803 398 P CB 0.124 31.793 31.700 -0.051 0.000 0.782 399 A N -0.125 122.673 122.820 -0.038 0.000 2.169 399 A HA 0.255 4.576 4.320 0.001 0.000 0.212 399 A C 1.521 179.074 177.584 -0.051 0.000 1.153 399 A CA 0.396 52.422 52.037 -0.020 0.000 0.756 399 A CB -1.375 17.629 19.000 0.007 0.000 0.813 399 A HN 0.250 nan 8.150 nan 0.000 0.471 400 G N -0.988 107.776 108.800 -0.060 0.000 2.138 400 G HA2 0.407 4.368 3.960 0.001 0.000 0.256 400 G HA3 0.407 4.368 3.960 0.001 0.000 0.256 400 G C 1.208 176.063 174.900 -0.074 0.000 1.141 400 G CA 0.223 45.281 45.100 -0.070 0.000 0.967 400 G HN 1.518 nan 8.290 nan 0.000 0.435 401 G N 1.369 110.130 108.800 -0.066 0.000 2.279 401 G HA2 -0.209 3.751 3.960 0.001 0.000 0.223 401 G HA3 -0.209 3.751 3.960 0.001 0.000 0.223 401 G C 0.999 175.843 174.900 -0.093 0.000 1.015 401 G CA 0.724 45.791 45.100 -0.054 0.000 0.621 401 G HN 2.000 nan 8.290 nan 0.000 0.506 402 S N 0.835 116.453 115.700 -0.136 0.000 2.575 402 S HA 0.291 4.761 4.470 0.001 0.000 0.295 402 S C 1.676 176.211 174.600 -0.108 0.000 1.267 402 S CA 0.606 58.679 58.200 -0.210 0.000 1.074 402 S CB 0.190 63.308 63.200 -0.137 0.000 0.829 402 S HN 0.438 nan 8.310 nan 0.000 0.497 403 Y N 4.685 124.970 120.300 -0.026 0.000 2.097 403 Y HA -0.131 4.420 4.550 0.000 0.000 0.282 403 Y C 2.149 177.991 175.900 -0.096 0.000 1.152 403 Y CA 1.776 59.872 58.100 -0.006 0.000 1.136 403 Y CB -1.728 36.769 38.460 0.062 0.000 0.975 403 Y HN 0.916 nan 8.280 nan 0.000 0.498 404 Y N 0.817 120.973 120.300 -0.240 0.000 2.053 404 Y HA -0.254 4.297 4.550 0.000 0.000 0.277 404 Y C 2.480 178.055 175.900 -0.541 0.000 1.159 404 Y CA 1.442 59.073 58.100 -0.781 0.000 1.125 404 Y CB -0.960 37.153 38.460 -0.578 0.000 0.969 404 Y HN -0.062 nan 8.280 nan 0.000 0.492 405 V N 0.860 120.535 119.914 -0.399 0.000 2.343 405 V HA -0.265 3.856 4.120 0.001 0.000 0.247 405 V C 2.463 178.421 176.094 -0.226 0.000 1.051 405 V CA 2.213 64.286 62.300 -0.378 0.000 1.036 405 V CB -0.636 31.066 31.823 -0.202 0.000 0.654 405 V HN 0.344 nan 8.190 nan 0.000 0.451 406 E N -0.005 120.114 120.200 -0.136 0.000 2.051 406 E HA -0.187 4.163 4.350 0.001 0.000 0.192 406 E C 2.493 179.050 176.600 -0.071 0.000 0.991 406 E CA 1.654 58.010 56.400 -0.073 0.000 0.799 406 E CB -0.661 29.032 29.700 -0.012 0.000 0.748 406 E HN 0.538 nan 8.360 nan 0.000 0.449 407 S N 0.639 116.286 115.700 -0.088 0.000 2.353 407 S HA -0.157 4.314 4.470 0.001 0.000 0.222 407 S C 2.000 176.565 174.600 -0.060 0.000 1.035 407 S CA 1.073 59.249 58.200 -0.040 0.000 1.025 407 S CB -0.244 62.960 63.200 0.007 0.000 0.902 407 S HN 0.155 nan 8.310 nan 0.000 0.440 408 L N 1.477 122.602 121.223 -0.164 0.000 2.083 408 L HA -0.044 4.296 4.340 0.001 0.000 0.209 408 L C 2.423 179.240 176.870 -0.088 0.000 1.083 408 L CA 2.178 56.945 54.840 -0.123 0.000 0.752 408 L CB -1.273 40.639 42.059 -0.246 0.000 0.899 408 L HN 0.311 nan 8.230 nan 0.000 0.433 409 T N -0.780 113.713 114.554 -0.101 0.000 2.652 409 T HA -0.249 4.102 4.350 0.001 0.000 0.267 409 T C 2.025 176.706 174.700 -0.031 0.000 1.039 409 T CA 1.691 63.752 62.100 -0.065 0.000 1.153 409 T CB -0.293 68.535 68.868 -0.066 0.000 0.863 409 T HN 0.173 nan 8.240 nan 0.000 0.428 410 R N 1.409 121.896 120.500 -0.022 0.000 2.096 410 R HA 0.065 4.406 4.340 0.001 0.000 0.235 410 R C 2.551 178.861 176.300 0.018 0.000 1.127 410 R CA 1.530 57.627 56.100 -0.004 0.000 0.968 410 R CB -1.152 29.147 30.300 -0.001 0.000 0.861 410 R HN 0.262 nan 8.270 nan 0.000 0.440 411 S N 0.381 116.098 115.700 0.028 0.000 2.356 411 S HA -0.052 4.418 4.470 0.001 0.000 0.223 411 S C 1.805 176.434 174.600 0.048 0.000 1.032 411 S CA 1.418 59.648 58.200 0.051 0.000 1.005 411 S CB -0.223 63.019 63.200 0.069 0.000 0.867 411 S HN 0.298 nan 8.310 nan 0.000 0.449 412 L N 0.850 122.089 121.223 0.027 0.000 2.093 412 L HA -0.076 4.264 4.340 0.001 0.000 0.208 412 L C 2.764 179.660 176.870 0.044 0.000 1.085 412 L CA 1.003 55.857 54.840 0.023 0.000 0.755 412 L CB -0.753 41.303 42.059 -0.005 0.000 0.904 412 L HN 0.304 nan 8.230 nan 0.000 0.435 413 A N 0.426 123.272 122.820 0.044 0.000 1.851 413 A HA -0.253 4.067 4.320 0.001 0.000 0.216 413 A C 1.926 179.597 177.584 0.145 0.000 1.195 413 A CA 2.161 54.244 52.037 0.077 0.000 0.622 413 A CB -0.637 18.377 19.000 0.024 0.000 0.831 413 A HN 0.347 nan 8.150 nan 0.000 0.444 414 D N -0.024 120.441 120.400 0.109 0.000 2.149 414 D HA -0.061 4.579 4.640 0.001 0.000 0.198 414 D C 2.157 178.570 176.300 0.188 0.000 0.990 414 D CA 1.602 55.691 54.000 0.149 0.000 0.839 414 D CB -0.441 40.413 40.800 0.090 0.000 0.948 414 D HN 0.449 nan 8.370 nan 0.000 0.460 415 A N 0.713 123.612 122.820 0.132 0.000 1.929 415 A HA 0.101 4.421 4.320 0.001 0.000 0.216 415 A C 2.250 179.903 177.584 0.114 0.000 1.176 415 A CA 1.788 53.891 52.037 0.109 0.000 0.628 415 A CB -0.474 18.566 19.000 0.067 0.000 0.816 415 A HN 0.227 nan 8.150 nan 0.000 0.444 416 A N -1.743 121.148 122.820 0.118 0.000 2.016 416 A HA -0.064 4.257 4.320 0.001 0.000 0.217 416 A C 2.027 179.744 177.584 0.222 0.000 1.162 416 A CA 0.895 52.992 52.037 0.099 0.000 0.662 416 A CB -0.733 18.289 19.000 0.037 0.000 0.812 416 A HN 0.801 nan 8.150 nan 0.000 0.450 417 W N 1.115 122.491 121.300 0.127 0.000 2.355 417 W HA -0.176 4.485 4.660 0.001 0.000 0.309 417 W C 2.081 178.728 176.519 0.213 0.000 1.206 417 W CA 2.092 59.575 57.345 0.230 0.000 1.284 417 W CB -0.151 29.412 29.460 0.173 0.000 1.145 417 W HN 0.372 nan 8.180 nan 0.000 0.502 418 K N 0.508 121.072 120.400 0.274 0.000 2.097 418 K HA -0.264 4.057 4.320 0.001 0.000 0.206 418 K C 1.857 178.512 176.600 0.091 0.000 1.049 418 K CA 1.967 58.344 56.287 0.151 0.000 0.933 418 K CB -0.225 32.367 32.500 0.152 0.000 0.717 418 K HN -0.055 nan 8.250 nan 0.000 0.442 419 E N 0.058 120.327 120.200 0.116 0.000 2.208 419 E HA -0.150 4.200 4.350 0.001 0.000 0.193 419 E C 1.593 178.303 176.600 0.183 0.000 0.988 419 E CA 0.733 57.221 56.400 0.147 0.000 0.828 419 E CB -0.322 29.446 29.700 0.113 0.000 0.763 419 E HN 0.305 nan 8.360 nan 0.000 0.478 420 F N 1.482 121.394 119.950 -0.063 0.000 2.102 420 F HA -0.110 4.418 4.527 0.000 0.000 0.298 420 F C 1.915 177.582 175.800 -0.221 0.000 1.105 420 F CA 1.866 59.772 58.000 -0.157 0.000 1.239 420 F CB -0.666 38.124 39.000 -0.350 0.000 0.991 420 F HN 0.070 nan 8.300 nan 0.000 0.474 421 Q N -0.040 119.498 119.800 -0.437 0.000 2.061 421 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 421 Q C 2.055 177.911 176.000 -0.239 0.000 0.984 421 Q CA 1.765 57.308 55.803 -0.433 0.000 0.846 421 Q CB -0.361 28.212 28.738 -0.275 0.000 0.902 421 Q HN 0.448 nan 8.270 nan 0.000 0.421 422 E N 0.215 120.345 120.200 -0.117 0.000 2.110 422 E HA -0.129 4.221 4.350 0.001 0.000 0.193 422 E C 2.185 178.671 176.600 -0.190 0.000 0.988 422 E CA 0.851 57.192 56.400 -0.099 0.000 0.804 422 E CB -0.124 29.576 29.700 0.000 0.000 0.745 422 E HN 0.187 nan 8.360 nan 0.000 0.458 423 V N 1.986 121.800 119.914 -0.167 0.000 2.358 423 V HA -0.195 3.926 4.120 0.001 0.000 0.246 423 V C 2.304 178.292 176.094 -0.177 0.000 1.047 423 V CA 1.508 63.690 62.300 -0.197 0.000 1.035 423 V CB -0.334 31.485 31.823 -0.006 0.000 0.658 423 V HN 0.166 nan 8.190 nan 0.000 0.452 424 E N 0.236 120.307 120.200 -0.215 0.000 2.077 424 E HA -0.260 4.090 4.350 0.001 0.000 0.193 424 E C 2.207 178.698 176.600 -0.181 0.000 0.989 424 E CA 1.305 57.563 56.400 -0.237 0.000 0.800 424 E CB -0.173 29.269 29.700 -0.429 0.000 0.746 424 E HN 0.492 nan 8.360 nan 0.000 0.452 425 K N 0.849 121.144 120.400 -0.176 0.000 2.147 425 K HA -0.061 4.259 4.320 0.001 0.000 0.205 425 K C 1.957 178.492 176.600 -0.109 0.000 1.049 425 K CA 0.588 56.798 56.287 -0.129 0.000 0.936 425 K CB -0.104 32.327 32.500 -0.115 0.000 0.722 425 K HN 0.022 nan 8.250 nan 0.000 0.446 426 L N -1.051 120.092 121.223 -0.132 0.000 2.599 426 L HA 0.178 4.518 4.340 0.001 0.000 0.230 426 L C 0.933 177.747 176.870 -0.094 0.000 1.141 426 L CA 0.502 55.270 54.840 -0.120 0.000 0.877 426 L CB 0.348 42.296 42.059 -0.186 0.000 1.009 426 L HN 0.538 nan 8.230 nan 0.000 0.447 427 G N -1.123 107.625 108.800 -0.087 0.000 2.148 427 G HA2 0.080 4.040 3.960 0.001 0.000 0.157 427 G HA3 0.080 4.040 3.960 0.001 0.000 0.157 427 G C 0.489 175.360 174.900 -0.048 0.000 1.012 427 G CA -0.321 44.745 45.100 -0.057 0.000 0.677 427 G HN 0.761 nan 8.290 nan 0.000 0.506 428 G N -1.743 107.016 108.800 -0.069 0.000 2.655 428 G HA2 0.191 4.151 3.960 0.001 0.000 0.680 428 G HA3 0.191 4.151 3.960 0.001 0.000 0.680 428 G C 0.529 175.395 174.900 -0.057 0.000 1.302 428 G CA 0.437 45.514 45.100 -0.038 0.000 0.872 428 G HN 1.404 nan 8.290 nan 0.000 0.540 429 M N 0.316 119.893 119.600 -0.039 0.000 2.349 429 M HA 0.162 4.642 4.480 0.001 0.000 0.266 429 M C 2.525 178.779 176.300 -0.077 0.000 1.076 429 M CA 2.724 57.972 55.300 -0.087 0.000 1.126 429 M CB -0.446 32.108 32.600 -0.076 0.000 1.392 429 M HN 0.608 nan 8.290 nan 0.000 0.440 430 S N -0.414 115.271 115.700 -0.025 0.000 2.356 430 S HA -0.170 4.300 4.470 0.001 0.000 0.223 430 S C 2.058 176.647 174.600 -0.018 0.000 1.032 430 S CA 1.508 59.710 58.200 0.003 0.000 1.005 430 S CB -0.192 63.032 63.200 0.040 0.000 0.867 430 S HN 0.483 nan 8.310 nan 0.000 0.449 431 K N 1.247 121.630 120.400 -0.029 0.000 2.009 431 K HA -0.017 4.303 4.320 0.001 0.000 0.210 431 K C 2.475 179.038 176.600 -0.063 0.000 1.049 431 K CA 1.079 57.342 56.287 -0.040 0.000 0.929 431 K CB -1.213 31.259 32.500 -0.045 0.000 0.714 431 K HN 0.496 nan 8.250 nan 0.000 0.440 432 A N 0.448 123.204 122.820 -0.106 0.000 1.903 432 A HA -0.190 4.130 4.320 0.001 0.000 0.219 432 A C 2.426 179.932 177.584 -0.130 0.000 1.191 432 A CA 2.391 54.348 52.037 -0.134 0.000 0.638 432 A CB -0.957 17.902 19.000 -0.235 0.000 0.823 432 A HN 0.277 nan 8.150 nan 0.000 0.451 433 V N -0.367 119.461 119.914 -0.143 0.000 2.343 433 V HA -0.309 3.811 4.120 0.001 0.000 0.247 433 V C 2.640 178.704 176.094 -0.050 0.000 1.051 433 V CA 2.248 64.488 62.300 -0.099 0.000 1.036 433 V CB -0.696 31.099 31.823 -0.047 0.000 0.654 433 V HN 0.574 nan 8.190 nan 0.000 0.451 434 M N -0.357 119.223 119.600 -0.033 0.000 2.132 434 M HA -0.074 4.406 4.480 0.001 0.000 0.263 434 M C 1.444 177.735 176.300 -0.016 0.000 1.065 434 M CA 1.382 56.671 55.300 -0.018 0.000 1.122 434 M CB -0.572 32.024 32.600 -0.008 0.000 1.365 434 M HN 0.478 nan 8.290 nan 0.000 0.411 435 T N -0.516 114.028 114.554 -0.015 0.000 3.051 435 T HA 0.029 4.380 4.350 0.001 0.000 0.356 435 T C 0.991 175.694 174.700 0.005 0.000 1.204 435 T CA -0.358 61.741 62.100 -0.001 0.000 0.990 435 T CB 0.291 69.163 68.868 0.007 0.000 1.628 435 T HN 0.104 nan 8.240 nan 0.000 0.550 436 E N -0.746 119.469 120.200 0.024 0.000 2.481 436 E HA 0.083 4.433 4.350 0.001 0.000 0.198 436 E C 1.574 178.191 176.600 0.027 0.000 1.027 436 E CA 0.115 56.527 56.400 0.020 0.000 0.900 436 E CB -0.250 29.463 29.700 0.022 0.000 0.993 436 E HN 0.639 nan 8.360 nan 0.000 0.482 437 H N 0.657 119.698 119.070 -0.049 0.000 2.265 437 H HA -0.114 4.442 4.556 0.001 0.000 0.295 437 H C 1.932 177.222 175.328 -0.064 0.000 1.084 437 H CA 2.257 58.277 56.048 -0.047 0.000 1.261 437 H CB 0.001 29.713 29.762 -0.083 0.000 1.360 437 H HN -0.078 nan 8.280 nan 0.000 0.487 438 V N -0.357 119.433 119.914 -0.206 0.000 2.295 438 V HA -0.296 3.824 4.120 0.001 0.000 0.246 438 V C 2.474 178.523 176.094 -0.075 0.000 1.049 438 V CA 2.328 64.401 62.300 -0.378 0.000 1.024 438 V CB -0.856 30.641 31.823 -0.542 0.000 0.648 438 V HN 0.565 nan 8.190 nan 0.000 0.447 439 T N -0.649 113.886 114.554 -0.032 0.000 2.684 439 T HA -0.268 4.082 4.350 0.001 0.000 0.267 439 T C 1.980 176.693 174.700 0.022 0.000 1.036 439 T CA 1.953 64.066 62.100 0.023 0.000 1.148 439 T CB -0.229 68.649 68.868 0.016 0.000 0.863 439 T HN 0.434 nan 8.240 nan 0.000 0.436 440 K N 0.528 120.917 120.400 -0.018 0.000 2.063 440 K HA -0.099 4.222 4.320 0.001 0.000 0.208 440 K C 2.152 178.744 176.600 -0.013 0.000 1.048 440 K CA 1.165 57.439 56.287 -0.022 0.000 0.928 440 K CB -0.204 32.268 32.500 -0.047 0.000 0.713 440 K HN 0.169 nan 8.250 nan 0.000 0.442 441 V N 1.462 121.368 119.914 -0.014 0.000 2.379 441 V HA -0.205 3.915 4.120 0.001 0.000 0.245 441 V C 2.231 178.393 176.094 0.114 0.000 1.044 441 V CA 1.359 63.696 62.300 0.061 0.000 1.036 441 V CB -0.325 31.602 31.823 0.175 0.000 0.664 441 V HN 0.303 nan 8.190 nan 0.000 0.453 442 L N -0.201 121.136 121.223 0.189 0.000 2.093 442 L HA -0.145 4.196 4.340 0.001 0.000 0.208 442 L C 2.359 179.288 176.870 0.097 0.000 1.085 442 L CA 1.336 56.276 54.840 0.167 0.000 0.755 442 L CB -0.708 41.487 42.059 0.226 0.000 0.904 442 L HN 0.328 nan 8.230 nan 0.000 0.435 443 D N 0.450 120.894 120.400 0.074 0.000 2.097 443 D HA -0.159 4.481 4.640 0.001 0.000 0.195 443 D C 2.263 178.586 176.300 0.038 0.000 0.989 443 D CA 1.564 55.595 54.000 0.052 0.000 0.827 443 D CB -0.088 40.735 40.800 0.039 0.000 0.966 443 D HN 0.285 nan 8.370 nan 0.000 0.456 444 A N 0.329 123.168 122.820 0.031 0.000 1.902 444 A HA -0.200 4.121 4.320 0.001 0.000 0.217 444 A C 2.555 180.151 177.584 0.020 0.000 1.181 444 A CA 1.421 53.471 52.037 0.022 0.000 0.623 444 A CB -0.988 18.022 19.000 0.016 0.000 0.818 444 A HN 0.353 nan 8.150 nan 0.000 0.443 445 C N -0.476 118.836 119.300 0.021 0.000 2.453 445 C HA -0.062 4.398 4.460 0.001 0.000 0.277 445 C C 2.666 177.666 174.990 0.017 0.000 1.262 445 C CA 1.115 60.141 59.018 0.014 0.000 1.718 445 C CB -1.391 26.353 27.740 0.006 0.000 2.031 445 C HN 0.636 nan 8.230 nan 0.000 0.480 446 N N 1.117 119.833 118.700 0.027 0.000 2.244 446 N HA -0.060 4.680 4.740 0.001 0.000 0.183 446 N C 1.736 177.256 175.510 0.015 0.000 1.016 446 N CA 1.576 54.641 53.050 0.025 0.000 0.866 446 N CB -0.393 38.122 38.487 0.046 0.000 0.980 446 N HN 0.565 nan 8.380 nan 0.000 0.430 447 A N 0.508 123.338 122.820 0.016 0.000 1.970 447 A HA -0.060 4.260 4.320 0.001 0.000 0.216 447 A C 2.170 179.759 177.584 0.010 0.000 1.170 447 A CA 1.223 53.266 52.037 0.010 0.000 0.645 447 A CB -0.255 18.752 19.000 0.012 0.000 0.816 447 A HN 0.239 nan 8.150 nan 0.000 0.447 448 E N 0.260 120.468 120.200 0.014 0.000 2.072 448 E HA -0.122 4.228 4.350 0.001 0.000 0.190 448 E C 2.128 178.740 176.600 0.021 0.000 0.982 448 E CA 1.285 57.696 56.400 0.018 0.000 0.803 448 E CB -0.252 29.460 29.700 0.021 0.000 0.755 448 E HN 0.523 nan 8.360 nan 0.000 0.453 449 R N -0.302 120.210 120.500 0.019 0.000 2.075 449 R HA -0.043 4.297 4.340 0.001 0.000 0.232 449 R C 2.160 178.468 176.300 0.014 0.000 1.126 449 R CA 1.265 57.378 56.100 0.021 0.000 0.963 449 R CB -0.357 29.951 30.300 0.014 0.000 0.858 449 R HN 0.255 nan 8.270 nan 0.000 0.435 450 A N 1.104 123.922 122.820 -0.002 0.000 1.933 450 A HA -0.202 4.119 4.320 0.001 0.000 0.218 450 A C 2.046 179.621 177.584 -0.015 0.000 1.175 450 A CA 1.578 53.600 52.037 -0.024 0.000 0.628 450 A CB -0.413 18.562 19.000 -0.040 0.000 0.814 450 A HN 0.358 nan 8.150 nan 0.000 0.444 451 K N -0.448 119.952 120.400 -0.000 0.000 2.026 451 K HA -0.136 4.184 4.320 0.001 0.000 0.208 451 K C 2.288 178.901 176.600 0.021 0.000 1.048 451 K CA 1.422 57.714 56.287 0.008 0.000 0.929 451 K CB -0.165 32.343 32.500 0.013 0.000 0.713 451 K HN 0.431 nan 8.250 nan 0.000 0.439 452 R N 0.327 120.846 120.500 0.031 0.000 2.096 452 R HA -0.070 4.271 4.340 0.001 0.000 0.235 452 R C 2.377 178.713 176.300 0.060 0.000 1.127 452 R CA 1.310 57.435 56.100 0.042 0.000 0.968 452 R CB -0.260 30.069 30.300 0.047 0.000 0.861 452 R HN 0.210 nan 8.270 nan 0.000 0.440 453 L N -0.175 121.095 121.223 0.078 0.000 2.056 453 L HA -0.110 4.230 4.340 0.001 0.000 0.207 453 L C 2.601 179.613 176.870 0.236 0.000 1.078 453 L CA 1.196 56.133 54.840 0.163 0.000 0.749 453 L CB -0.476 41.667 42.059 0.140 0.000 0.901 453 L HN 0.234 nan 8.230 nan 0.000 0.433 454 A N 1.091 123.972 122.820 0.101 0.000 1.968 454 A HA -0.168 4.153 4.320 0.001 0.000 0.217 454 A C 1.816 179.429 177.584 0.048 0.000 1.169 454 A CA 1.748 53.831 52.037 0.075 0.000 0.638 454 A CB -0.587 18.404 19.000 -0.014 0.000 0.812 454 A HN 0.640 nan 8.150 nan 0.000 0.446 455 N N -1.753 116.961 118.700 0.023 0.000 2.280 455 N HA 0.032 4.772 4.740 0.001 0.000 0.192 455 N C 0.394 175.891 175.510 -0.022 0.000 1.109 455 N CA 0.273 53.313 53.050 -0.016 0.000 0.855 455 N CB -0.239 38.243 38.487 -0.008 0.000 0.974 455 N HN 0.427 nan 8.380 nan 0.000 0.482 456 R N -0.811 119.688 120.500 -0.002 0.000 3.776 456 R HA -0.163 4.178 4.340 0.001 0.000 0.312 456 R C 0.278 176.569 176.300 -0.015 0.000 1.181 456 R CA 0.975 57.057 56.100 -0.030 0.000 0.836 456 R CB -1.761 28.478 30.300 -0.103 0.000 1.324 456 R HN 0.360 nan 8.270 nan 0.000 0.501 457 K N 0.562 120.968 120.400 0.010 0.000 2.305 457 K HA -0.049 4.271 4.320 0.001 0.000 0.199 457 K C 0.921 177.535 176.600 0.023 0.000 1.047 457 K CA 0.673 56.971 56.287 0.019 0.000 0.976 457 K CB 0.249 32.767 32.500 0.031 0.000 0.765 457 K HN 0.209 nan 8.250 nan 0.000 0.474 458 Q N 1.699 121.518 119.800 0.031 0.000 2.571 458 Q HA 0.194 4.535 4.340 0.001 0.000 0.243 458 Q C -2.612 173.405 176.000 0.028 0.000 1.055 458 Q CA -2.464 53.361 55.803 0.036 0.000 0.815 458 Q CB 1.207 29.985 28.738 0.066 0.000 1.151 458 Q HN -0.103 nan 8.270 nan 0.000 0.519 459 P HA 0.184 nan 4.420 nan 0.000 0.274 459 P C -0.605 176.669 177.300 -0.043 0.000 1.237 459 P CA -0.077 62.989 63.100 -0.057 0.000 0.793 459 P CB 1.276 32.930 31.700 -0.075 0.000 0.977 460 I N 0.796 121.314 120.570 -0.086 0.000 2.389 460 I HA 0.173 4.344 4.170 0.001 0.000 0.288 460 I C 0.447 176.517 176.117 -0.079 0.000 0.999 460 I CA -0.566 60.704 61.300 -0.049 0.000 1.129 460 I CB 1.493 39.477 38.000 -0.027 0.000 1.288 460 I HN 0.141 nan 8.210 nan 0.000 0.444 461 T N 5.470 120.005 114.554 -0.031 0.000 2.867 461 T HA 0.202 4.552 4.350 0.001 0.000 0.297 461 T C 1.026 175.723 174.700 -0.005 0.000 0.989 461 T CA 0.743 62.838 62.100 -0.009 0.000 1.159 461 T CB 0.778 69.650 68.868 0.006 0.000 0.928 461 T HN 0.928 nan 8.240 nan 0.000 0.538 462 A N 2.561 125.384 122.820 0.006 0.000 2.899 462 A HA -0.154 4.167 4.320 0.001 0.000 0.257 462 A C 1.204 178.771 177.584 -0.028 0.000 1.335 462 A CA 1.272 53.318 52.037 0.015 0.000 0.924 462 A CB -2.143 16.879 19.000 0.036 0.000 1.105 462 A HN 0.681 nan 8.150 nan 0.000 0.765 463 V N -1.292 118.558 119.914 -0.106 0.000 3.442 463 V HA 0.105 4.225 4.120 0.001 0.000 0.205 463 V C 2.152 178.005 176.094 -0.402 0.000 1.320 463 V CA 1.616 63.813 62.300 -0.171 0.000 1.306 463 V CB 0.630 32.377 31.823 -0.126 0.000 1.267 463 V HN 1.230 nan 8.190 nan 0.000 0.538 464 S N -1.321 114.045 115.700 -0.557 0.000 2.505 464 S HA 0.241 4.712 4.470 0.001 0.000 0.216 464 S C 0.403 174.728 174.600 -0.458 0.000 1.018 464 S CA -0.052 57.708 58.200 -0.733 0.000 0.911 464 S CB 0.326 62.894 63.200 -1.054 0.000 0.818 464 S HN 0.416 nan 8.310 nan 0.000 0.497 465 E N 1.123 121.131 120.200 -0.320 0.000 2.218 465 E HA 0.432 4.782 4.350 0.001 0.000 0.263 465 E C -1.115 175.399 176.600 -0.143 0.000 0.879 465 E CA -0.928 55.284 56.400 -0.312 0.000 0.762 465 E CB 1.064 30.654 29.700 -0.184 0.000 1.166 465 E HN 0.279 nan 8.360 nan 0.000 0.415 466 F N 1.024 120.905 119.950 -0.116 0.000 2.635 466 F HA -0.218 4.309 4.527 0.000 0.000 0.228 466 F C -1.819 173.959 175.800 -0.038 0.000 1.029 466 F CA 0.048 58.011 58.000 -0.061 0.000 0.907 466 F CB -1.466 37.508 39.000 -0.042 0.000 0.893 466 F HN 0.252 nan 8.300 nan 0.000 0.845 467 P HA 0.404 nan 4.420 nan 0.000 0.277 467 P C -0.303 177.046 177.300 0.082 0.000 1.271 467 P CA -0.574 62.559 63.100 0.056 0.000 0.795 467 P CB 1.111 32.819 31.700 0.014 0.000 1.101 468 M N 0.983 120.607 119.600 0.039 0.000 2.122 468 M HA 0.346 4.826 4.480 0.001 0.000 0.269 468 M C -1.015 175.272 176.300 -0.020 0.000 0.954 468 M CA -0.667 54.632 55.300 -0.002 0.000 0.998 468 M CB 0.669 33.273 32.600 0.006 0.000 1.755 468 M HN 0.146 nan 8.290 nan 0.000 0.459 469 I N 4.925 125.450 120.570 -0.075 0.000 2.742 469 I HA 0.083 4.254 4.170 0.001 0.000 0.287 469 I C 1.284 177.384 176.117 -0.027 0.000 1.186 469 I CA 1.370 62.641 61.300 -0.048 0.000 1.417 469 I CB 0.086 38.033 38.000 -0.088 0.000 1.377 469 I HN 1.066 nan 8.210 nan 0.000 0.556 470 G N 4.449 113.251 108.800 0.003 0.000 2.149 470 G HA2 -0.147 3.813 3.960 0.001 0.000 0.235 470 G HA3 -0.147 3.813 3.960 0.001 0.000 0.235 470 G C 0.334 175.248 174.900 0.024 0.000 1.018 470 G CA -0.169 44.938 45.100 0.013 0.000 0.728 470 G HN 1.063 nan 8.290 nan 0.000 0.508 471 A N 0.093 122.934 122.820 0.034 0.000 2.546 471 A HA 0.547 4.867 4.320 0.001 0.000 0.243 471 A C 1.080 178.712 177.584 0.081 0.000 1.063 471 A CA 0.753 52.821 52.037 0.051 0.000 0.757 471 A CB 0.161 19.199 19.000 0.062 0.000 0.991 471 A HN 1.015 nan 8.150 nan 0.000 0.503 472 R N 2.082 122.632 120.500 0.083 0.000 2.619 472 R HA 0.182 4.522 4.340 0.001 0.000 0.268 472 R C 0.399 176.837 176.300 0.230 0.000 0.990 472 R CA 1.006 57.180 56.100 0.124 0.000 1.092 472 R CB 0.225 30.572 30.300 0.078 0.000 0.935 472 R HN 0.821 nan 8.270 nan 0.000 0.415 473 S N 2.737 118.572 115.700 0.224 0.000 2.921 473 S HA 0.703 5.173 4.470 0.001 0.000 0.315 473 S C -0.985 173.771 174.600 0.259 0.000 1.087 473 S CA -0.966 57.372 58.200 0.230 0.000 0.877 473 S CB 0.971 64.246 63.200 0.125 0.000 1.340 473 S HN 0.581 nan 8.310 nan 0.000 0.622 474 I N 0.826 121.487 120.570 0.151 0.000 2.752 474 I HA 0.428 4.598 4.170 0.001 0.000 0.295 474 I C -1.175 174.959 176.117 0.029 0.000 1.219 474 I CA -0.535 60.842 61.300 0.129 0.000 1.030 474 I CB 1.899 39.988 38.000 0.148 0.000 1.259 474 I HN 0.548 nan 8.210 nan 0.000 0.423 475 E N 4.913 125.132 120.200 0.032 0.000 2.324 475 E HA 0.267 4.617 4.350 0.001 0.000 0.271 475 E C -0.556 176.011 176.600 -0.056 0.000 1.028 475 E CA 0.109 56.503 56.400 -0.010 0.000 0.890 475 E CB 1.151 30.853 29.700 0.004 0.000 1.004 475 E HN 0.644 nan 8.360 nan 0.000 0.431 476 T N -0.272 114.221 114.554 -0.102 0.000 2.901 476 T HA 0.507 4.858 4.350 0.001 0.000 0.293 476 T C -0.301 174.295 174.700 -0.174 0.000 1.084 476 T CA -1.218 60.782 62.100 -0.166 0.000 1.008 476 T CB 1.718 70.437 68.868 -0.248 0.000 1.170 476 T HN 0.271 nan 8.240 nan 0.000 0.509 477 K N 0.703 120.969 120.400 -0.222 0.000 2.183 477 K HA 0.481 4.801 4.320 0.001 0.000 0.274 477 K C -2.952 173.497 176.600 -0.251 0.000 1.009 477 K CA -2.051 54.113 56.287 -0.205 0.000 0.888 477 K CB 0.458 32.828 32.500 -0.216 0.000 1.078 477 K HN 0.291 nan 8.250 nan 0.000 0.459 478 P HA -0.087 nan 4.420 nan 0.000 0.264 478 P C -0.720 176.515 177.300 -0.110 0.000 1.179 478 P CA 0.225 63.243 63.100 -0.137 0.000 0.763 478 P CB 0.138 31.811 31.700 -0.045 0.000 0.806 479 F N 3.483 123.431 119.950 -0.004 0.000 2.504 479 F HA 0.209 4.737 4.527 0.001 0.000 0.369 479 F C -1.147 174.650 175.800 -0.005 0.000 1.082 479 F CA -1.727 56.274 58.000 0.002 0.000 1.216 479 F CB -1.027 37.992 39.000 0.032 0.000 1.108 479 F HN 0.234 nan 8.300 nan 0.000 0.554 480 P HA 0.117 nan 4.420 nan 0.000 0.265 480 P C -0.677 176.662 177.300 0.065 0.000 1.187 480 P CA -0.352 62.800 63.100 0.086 0.000 0.766 480 P CB 0.350 32.082 31.700 0.052 0.000 0.820 481 A N 2.237 125.072 122.820 0.025 0.000 2.561 481 A HA 0.411 4.732 4.320 0.001 0.000 0.234 481 A C 0.397 177.955 177.584 -0.042 0.000 1.055 481 A CA 0.520 52.557 52.037 0.001 0.000 0.756 481 A CB -0.459 18.532 19.000 -0.015 0.000 0.986 481 A HN 0.626 nan 8.150 nan 0.000 0.505 482 A N 3.787 126.577 122.820 -0.051 0.000 2.343 482 A HA 0.731 5.051 4.320 0.001 0.000 0.316 482 A C -2.421 175.082 177.584 -0.134 0.000 1.104 482 A CA -1.590 50.385 52.037 -0.104 0.000 0.768 482 A CB 0.333 19.318 19.000 -0.024 0.000 1.213 482 A HN 0.733 nan 8.150 nan 0.000 0.456 483 P HA 0.354 nan 4.420 nan 0.000 0.265 483 P C 0.293 177.540 177.300 -0.088 0.000 1.193 483 P CA 0.098 63.040 63.100 -0.263 0.000 0.765 483 P CB 0.602 32.019 31.700 -0.471 0.000 0.823 484 A N 4.474 127.265 122.820 -0.048 0.000 2.547 484 A HA 0.143 4.464 4.320 0.001 0.000 0.233 484 A C 0.500 178.092 177.584 0.013 0.000 1.067 484 A CA 0.288 52.315 52.037 -0.016 0.000 0.763 484 A CB -0.067 18.917 19.000 -0.026 0.000 1.007 484 A HN 0.571 nan 8.150 nan 0.000 0.506 485 R N 0.286 120.765 120.500 -0.036 0.000 2.854 485 R HA 0.425 4.765 4.340 0.001 0.000 0.271 485 R C 0.027 176.262 176.300 -0.108 0.000 0.996 485 R CA -0.844 55.198 56.100 -0.097 0.000 0.961 485 R CB 1.725 31.886 30.300 -0.231 0.000 1.182 485 R HN 0.758 nan 8.270 nan 0.000 0.479 486 K N 0.317 120.643 120.400 -0.123 0.000 2.355 486 K HA 0.146 4.466 4.320 0.001 0.000 0.198 486 K C 0.846 177.384 176.600 -0.104 0.000 1.039 486 K CA 0.021 56.252 56.287 -0.093 0.000 1.075 486 K CB 1.359 33.814 32.500 -0.074 0.000 0.870 486 K HN 0.728 nan 8.250 nan 0.000 0.540 487 G N 0.969 109.676 108.800 -0.155 0.000 2.714 487 G HA2 0.260 4.220 3.960 0.001 0.000 0.197 487 G HA3 0.260 4.220 3.960 0.001 0.000 0.197 487 G C -0.145 174.683 174.900 -0.119 0.000 1.449 487 G CA -0.729 44.284 45.100 -0.145 0.000 1.065 487 G HN 0.051 nan 8.290 nan 0.000 0.575 488 L N 1.179 122.340 121.223 -0.102 0.000 2.601 488 L HA 0.243 4.584 4.340 0.001 0.000 0.277 488 L C 1.118 177.966 176.870 -0.035 0.000 1.219 488 L CA -0.427 54.404 54.840 -0.015 0.000 0.915 488 L CB 0.058 42.162 42.059 0.074 0.000 1.160 488 L HN 0.477 nan 8.230 nan 0.000 0.494 489 A N 4.613 127.461 122.820 0.046 0.000 2.440 489 A HA 0.265 4.586 4.320 0.001 0.000 0.251 489 A C -0.982 176.707 177.584 0.175 0.000 1.089 489 A CA -0.197 51.856 52.037 0.026 0.000 0.779 489 A CB 0.099 19.145 19.000 0.076 0.000 1.022 489 A HN 0.653 nan 8.150 nan 0.000 0.492 490 W N 2.580 123.724 121.300 -0.260 0.000 2.338 490 W HA 0.423 5.083 4.660 0.001 0.000 0.315 490 W C -0.454 176.003 176.519 -0.103 0.000 1.005 490 W CA -0.276 56.993 57.345 -0.128 0.000 1.380 490 W CB 0.650 29.971 29.460 -0.231 0.000 1.235 490 W HN 0.605 nan 8.180 nan 0.000 0.409 491 H N 2.725 122.029 119.070 0.390 0.000 2.658 491 H HA 0.411 4.967 4.556 0.001 0.000 0.337 491 H C 0.447 175.792 175.328 0.028 0.000 1.009 491 H CA -0.849 55.339 56.048 0.232 0.000 1.231 491 H CB 1.749 31.580 29.762 0.114 0.000 1.508 491 H HN 0.172 nan 8.280 nan 0.000 0.517 492 R N 1.089 121.537 120.500 -0.088 0.000 2.774 492 R HA -0.019 4.321 4.340 0.001 0.000 0.269 492 R C 0.494 176.708 176.300 -0.143 0.000 1.068 492 R CA -0.371 55.512 56.100 -0.361 0.000 1.180 492 R CB 0.743 30.694 30.300 -0.583 0.000 1.077 492 R HN 0.565 nan 8.270 nan 0.000 0.513 493 D N 0.154 120.470 120.400 -0.140 0.000 2.178 493 D HA -0.120 4.521 4.640 0.001 0.000 0.202 493 D C 1.464 177.769 176.300 0.008 0.000 0.974 493 D CA 1.686 55.657 54.000 -0.047 0.000 0.841 493 D CB -0.092 40.704 40.800 -0.007 0.000 0.953 493 D HN 0.514 nan 8.370 nan 0.000 0.478 494 S N -0.357 115.360 115.700 0.027 0.000 2.631 494 S HA 0.087 4.558 4.470 0.001 0.000 0.217 494 S C 1.442 176.079 174.600 0.061 0.000 0.958 494 S CA -0.172 58.113 58.200 0.143 0.000 0.920 494 S CB 0.098 63.377 63.200 0.133 0.000 0.776 494 S HN 0.157 nan 8.310 nan 0.000 0.517 495 E N 0.942 121.124 120.200 -0.029 0.000 2.110 495 E HA -0.094 4.256 4.350 0.001 0.000 0.193 495 E C 1.963 178.493 176.600 -0.118 0.000 0.988 495 E CA 1.101 57.475 56.400 -0.042 0.000 0.804 495 E CB -0.280 29.406 29.700 -0.022 0.000 0.745 495 E HN 0.417 nan 8.360 nan 0.000 0.458 496 V N 0.465 120.222 119.914 -0.262 0.000 2.332 496 V HA -0.263 3.857 4.120 0.001 0.000 0.248 496 V C 1.718 177.550 176.094 -0.437 0.000 1.055 496 V CA 1.820 63.873 62.300 -0.412 0.000 1.038 496 V CB -0.337 31.142 31.823 -0.572 0.000 0.651 496 V HN 0.209 nan 8.190 nan 0.000 0.450 497 F N 0.406 120.337 119.950 -0.031 0.000 2.259 497 F HA 0.013 4.540 4.527 0.000 0.000 0.298 497 F C 2.366 178.160 175.800 -0.011 0.000 1.088 497 F CA 1.300 59.284 58.000 -0.026 0.000 1.358 497 F CB -0.680 38.300 39.000 -0.034 0.000 1.040 497 F HN 0.216 nan 8.300 nan 0.000 0.505 498 E N 0.127 120.402 120.200 0.126 0.000 2.106 498 E HA -0.210 4.140 4.350 0.001 0.000 0.192 498 E C 2.092 178.722 176.600 0.050 0.000 0.984 498 E CA 1.039 57.488 56.400 0.083 0.000 0.806 498 E CB -0.221 29.518 29.700 0.064 0.000 0.750 498 E HN 0.522 nan 8.360 nan 0.000 0.458 499 Q N 0.411 120.220 119.800 0.015 0.000 2.084 499 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 499 Q C 2.282 178.295 176.000 0.022 0.000 0.978 499 Q CA 1.087 56.893 55.803 0.006 0.000 0.844 499 Q CB -0.090 28.630 28.738 -0.031 0.000 0.898 499 Q HN 0.291 nan 8.270 nan 0.000 0.426 500 L N -0.136 121.105 121.223 0.031 0.000 2.042 500 L HA -0.214 4.126 4.340 0.001 0.000 0.210 500 L C 2.447 179.360 176.870 0.072 0.000 1.076 500 L CA 0.802 55.677 54.840 0.058 0.000 0.749 500 L CB -0.438 41.673 42.059 0.087 0.000 0.893 500 L HN 0.376 nan 8.230 nan 0.000 0.432 501 M N -0.705 118.943 119.600 0.080 0.000 2.202 501 M HA -0.201 4.280 4.480 0.001 0.000 0.262 501 M C 1.764 178.098 176.300 0.057 0.000 1.063 501 M CA 1.504 56.847 55.300 0.071 0.000 1.097 501 M CB -1.071 31.574 32.600 0.074 0.000 1.382 501 M HN 0.248 nan 8.290 nan 0.000 0.413 502 D N 0.080 120.510 120.400 0.050 0.000 2.144 502 D HA -0.104 4.536 4.640 0.001 0.000 0.200 502 D C 2.174 178.497 176.300 0.039 0.000 0.978 502 D CA 1.029 55.055 54.000 0.042 0.000 0.833 502 D CB -0.232 40.590 40.800 0.038 0.000 0.961 502 D HN 0.386 nan 8.370 nan 0.000 0.470 503 R N 0.504 121.028 120.500 0.040 0.000 2.073 503 R HA -0.024 4.316 4.340 0.001 0.000 0.234 503 R C 2.433 178.759 176.300 0.043 0.000 1.134 503 R CA 1.241 57.365 56.100 0.040 0.000 0.952 503 R CB -0.272 30.053 30.300 0.042 0.000 0.850 503 R HN 0.018 nan 8.270 nan 0.000 0.433 504 S N -0.109 115.621 115.700 0.050 0.000 2.423 504 S HA -0.076 4.395 4.470 0.001 0.000 0.231 504 S C 1.771 176.395 174.600 0.041 0.000 1.014 504 S CA 1.395 59.624 58.200 0.049 0.000 0.965 504 S CB -0.026 63.211 63.200 0.061 0.000 0.785 504 S HN 0.365 nan 8.310 nan 0.000 0.495 505 T N 1.797 116.375 114.554 0.039 0.000 3.023 505 T HA -0.022 4.328 4.350 0.001 0.000 0.266 505 T C 2.176 176.894 174.700 0.029 0.000 1.093 505 T CA 1.130 63.250 62.100 0.033 0.000 1.129 505 T CB -0.224 68.665 68.868 0.035 0.000 0.899 505 T HN 0.612 nan 8.240 nan 0.000 0.491 506 S N 0.568 116.286 115.700 0.029 0.000 2.453 506 S HA 0.057 4.527 4.470 0.001 0.000 0.231 506 S C 0.842 175.456 174.600 0.022 0.000 1.005 506 S CA -0.083 58.132 58.200 0.025 0.000 0.949 506 S CB -0.363 62.853 63.200 0.026 0.000 0.774 506 S HN 0.190 nan 8.310 nan 0.000 0.510 507 V N 2.855 122.783 119.914 0.023 0.000 2.743 507 V HA 0.311 4.431 4.120 0.001 0.000 0.301 507 V C 1.662 177.766 176.094 0.017 0.000 1.057 507 V CA 0.135 62.447 62.300 0.020 0.000 1.006 507 V CB 1.513 33.349 31.823 0.023 0.000 1.024 507 V HN 0.586 nan 8.190 nan 0.000 0.473 508 S N 2.362 118.071 115.700 0.014 0.000 2.354 508 S HA -0.139 4.332 4.470 0.001 0.000 0.219 508 S C 0.763 175.369 174.600 0.010 0.000 1.035 508 S CA 0.975 59.182 58.200 0.011 0.000 1.037 508 S CB -0.214 62.990 63.200 0.008 0.000 0.956 508 S HN 0.790 nan 8.310 nan 0.000 0.428 509 E N 1.539 121.744 120.200 0.009 0.000 2.146 509 E HA 0.281 4.632 4.350 0.001 0.000 0.282 509 E C -0.323 176.285 176.600 0.013 0.000 0.989 509 E CA -0.664 55.741 56.400 0.008 0.000 0.799 509 E CB 0.788 30.489 29.700 0.002 0.000 1.088 509 E HN 0.291 nan 8.360 nan 0.000 0.397 510 R N 5.184 125.693 120.500 0.015 0.000 2.504 510 R HA 0.046 4.386 4.340 0.001 0.000 0.291 510 R C -2.051 174.262 176.300 0.022 0.000 0.974 510 R CA -0.980 55.134 56.100 0.022 0.000 1.077 510 R CB 0.250 30.564 30.300 0.024 0.000 0.926 510 R HN 0.318 nan 8.270 nan 0.000 0.407 511 P HA -0.017 nan 4.420 nan 0.000 0.266 511 P C -1.351 175.957 177.300 0.014 0.000 1.195 511 P CA 0.350 63.464 63.100 0.022 0.000 0.768 511 P CB 0.480 32.201 31.700 0.035 0.000 0.838 512 K N 0.317 120.711 120.400 -0.011 0.000 2.477 512 K HA 0.737 5.057 4.320 0.001 0.000 0.255 512 K C -1.552 174.983 176.600 -0.108 0.000 0.952 512 K CA -1.168 55.099 56.287 -0.033 0.000 0.826 512 K CB 1.677 34.179 32.500 0.003 0.000 1.331 512 K HN 0.031 nan 8.250 nan 0.000 0.437 513 V N 2.678 122.455 119.914 -0.230 0.000 2.443 513 V HA 0.306 4.427 4.120 0.001 0.000 0.293 513 V C -1.227 174.745 176.094 -0.204 0.000 1.021 513 V CA -0.771 61.280 62.300 -0.415 0.000 0.848 513 V CB 1.081 32.154 31.823 -1.251 0.000 0.998 513 V HN 0.760 nan 8.190 nan 0.000 0.424 514 F N 6.203 126.087 119.950 -0.109 0.000 2.467 514 F HA 0.485 5.012 4.527 0.001 0.000 0.362 514 F C -0.016 175.777 175.800 -0.012 0.000 1.090 514 F CA -0.330 57.678 58.000 0.014 0.000 1.202 514 F CB 0.567 39.713 39.000 0.243 0.000 1.113 514 F HN 0.341 nan 8.300 nan 0.000 0.541 515 L N 7.520 128.319 121.223 -0.708 0.000 2.268 515 L HA 0.407 4.747 4.340 0.001 0.000 0.289 515 L C 0.220 176.653 176.870 -0.728 0.000 1.064 515 L CA -0.790 53.750 54.840 -0.500 0.000 0.824 515 L CB 0.834 42.720 42.059 -0.289 0.000 1.202 515 L HN 0.787 nan 8.230 nan 0.000 0.433 516 A N 3.697 126.309 122.820 -0.347 0.000 2.807 516 A HA 0.336 4.657 4.320 0.001 0.000 0.307 516 A C 0.033 177.511 177.584 -0.176 0.000 1.532 516 A CA -0.393 51.555 52.037 -0.148 0.000 1.215 516 A CB -0.399 18.669 19.000 0.115 0.000 1.127 516 A HN 0.757 nan 8.150 nan 0.000 0.543 517 C N 3.176 122.245 119.300 -0.385 0.000 2.415 517 C HA 0.484 4.945 4.460 0.001 0.000 0.369 517 C C 0.517 175.272 174.990 -0.392 0.000 1.279 517 C CA -0.398 58.241 59.018 -0.631 0.000 1.886 517 C CB -0.842 25.977 27.740 -1.536 0.000 2.468 517 C HN 0.701 nan 8.230 nan 0.000 0.553 518 L N 4.013 125.166 121.223 -0.118 0.000 2.325 518 L HA 0.739 5.079 4.340 0.001 0.000 0.278 518 L C 0.910 177.894 176.870 0.190 0.000 1.023 518 L CA 0.309 55.168 54.840 0.032 0.000 0.811 518 L CB 0.872 42.926 42.059 -0.008 0.000 1.249 518 L HN 1.025 nan 8.230 nan 0.000 0.431 519 G N 1.834 110.727 108.800 0.154 0.000 2.553 519 G HA2 -0.233 3.728 3.960 0.001 0.000 0.242 519 G HA3 -0.233 3.728 3.960 0.001 0.000 0.242 519 G C -0.068 174.944 174.900 0.187 0.000 1.277 519 G CA -0.164 45.011 45.100 0.125 0.000 0.910 519 G HN 0.876 nan 8.290 nan 0.000 0.576 520 T N -2.365 112.202 114.554 0.022 0.000 2.810 520 T HA 0.600 4.950 4.350 0.001 0.000 0.277 520 T C 1.503 175.899 174.700 -0.507 0.000 0.973 520 T CA 0.687 62.721 62.100 -0.109 0.000 0.949 520 T CB 1.642 70.446 68.868 -0.106 0.000 1.075 520 T HN 0.929 nan 8.240 nan 0.000 0.537 521 R N -0.152 119.981 120.500 -0.611 0.000 2.096 521 R HA -0.017 4.323 4.340 0.001 0.000 0.235 521 R C 2.740 178.694 176.300 -0.576 0.000 1.127 521 R CA 1.212 56.784 56.100 -0.879 0.000 0.968 521 R CB -0.256 29.773 30.300 -0.453 0.000 0.861 521 R HN 0.671 nan 8.270 nan 0.000 0.440 522 R N 0.234 120.540 120.500 -0.324 0.000 2.096 522 R HA -0.170 4.170 4.340 0.001 0.000 0.240 522 R C 1.715 177.902 176.300 -0.188 0.000 1.139 522 R CA 2.136 58.113 56.100 -0.205 0.000 0.952 522 R CB -0.254 29.962 30.300 -0.139 0.000 0.854 522 R HN 0.421 nan 8.270 nan 0.000 0.436 523 D N -0.095 120.188 120.400 -0.195 0.000 2.091 523 D HA -0.151 4.489 4.640 0.001 0.000 0.199 523 D C 1.748 178.002 176.300 -0.077 0.000 0.980 523 D CA 1.374 55.298 54.000 -0.126 0.000 0.831 523 D CB -0.293 40.455 40.800 -0.087 0.000 0.987 523 D HN 0.341 nan 8.370 nan 0.000 0.460 524 F N 0.718 120.620 119.950 -0.080 0.000 2.664 524 F HA 0.427 4.954 4.527 0.001 0.000 0.296 524 F C 2.073 177.857 175.800 -0.027 0.000 1.125 524 F CA 0.171 58.128 58.000 -0.071 0.000 1.444 524 F CB -0.980 37.984 39.000 -0.060 0.000 1.114 524 F HN -0.123 nan 8.300 nan 0.000 0.576 525 G N 1.553 110.306 108.800 -0.077 0.000 2.599 525 G HA2 -0.307 3.653 3.960 0.001 0.000 0.219 525 G HA3 -0.307 3.653 3.960 0.001 0.000 0.219 525 G C 1.919 176.873 174.900 0.091 0.000 1.193 525 G CA 1.313 46.411 45.100 -0.003 0.000 0.778 525 G HN 0.626 nan 8.290 nan 0.000 0.589 526 G N 0.350 109.184 108.800 0.056 0.000 2.491 526 G HA2 -0.223 3.738 3.960 0.001 0.000 0.218 526 G HA3 -0.223 3.738 3.960 0.001 0.000 0.218 526 G C 2.009 176.981 174.900 0.121 0.000 1.180 526 G CA 1.250 46.394 45.100 0.073 0.000 0.774 526 G HN 0.403 nan 8.290 nan 0.000 0.562 527 R N 0.099 120.674 120.500 0.126 0.000 2.148 527 R HA 0.096 4.436 4.340 0.001 0.000 0.223 527 R C 2.417 178.842 176.300 0.209 0.000 1.088 527 R CA 0.863 57.064 56.100 0.168 0.000 0.985 527 R CB -0.272 30.121 30.300 0.155 0.000 0.880 527 R HN 0.395 nan 8.270 nan 0.000 0.451 528 E N -0.313 120.012 120.200 0.208 0.000 2.072 528 E HA -0.085 4.265 4.350 0.001 0.000 0.190 528 E C 1.867 178.560 176.600 0.155 0.000 0.982 528 E CA 1.387 57.892 56.400 0.176 0.000 0.803 528 E CB -0.210 29.624 29.700 0.224 0.000 0.755 528 E HN 0.369 nan 8.360 nan 0.000 0.453 529 G N 0.487 109.391 108.800 0.174 0.000 2.440 529 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 529 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 529 G C 1.500 176.486 174.900 0.143 0.000 1.154 529 G CA 0.832 46.034 45.100 0.170 0.000 0.767 529 G HN 0.340 nan 8.290 nan 0.000 0.552 530 F N 2.034 121.979 119.950 -0.009 0.000 2.128 530 F HA -0.005 4.522 4.527 0.000 0.000 0.295 530 F C 2.922 178.625 175.800 -0.162 0.000 1.100 530 F CA 1.801 59.743 58.000 -0.096 0.000 1.260 530 F CB -0.177 38.786 39.000 -0.062 0.000 1.009 530 F HN 0.153 nan 8.300 nan 0.000 0.476 531 S N -0.766 114.914 115.700 -0.032 0.000 2.371 531 S HA -0.160 4.310 4.470 0.001 0.000 0.224 531 S C 2.191 176.646 174.600 -0.241 0.000 1.029 531 S CA 1.065 59.169 58.200 -0.160 0.000 0.978 531 S CB -0.619 62.657 63.200 0.127 0.000 0.833 531 S HN 0.395 nan 8.310 nan 0.000 0.466 532 S N 2.184 117.808 115.700 -0.127 0.000 2.377 532 S HA -0.091 4.379 4.470 0.001 0.000 0.224 532 S C -0.741 173.499 174.600 -0.600 0.000 1.042 532 S CA 1.735 59.796 58.200 -0.232 0.000 1.086 532 S CB -1.199 61.958 63.200 -0.073 0.000 0.995 532 S HN 0.336 nan 8.310 nan 0.000 0.428 533 P HA -0.066 nan 4.420 nan 0.000 0.216 533 P C 1.590 178.602 177.300 -0.481 0.000 1.153 533 P CA 0.938 63.802 63.100 -0.394 0.000 0.858 533 P CB -0.254 31.180 31.700 -0.444 0.000 0.789 534 V N -1.365 118.158 119.914 -0.652 0.000 2.252 534 V HA -0.247 3.873 4.120 0.001 0.000 0.249 534 V C 2.232 177.976 176.094 -0.582 0.000 1.056 534 V CA 2.059 63.930 62.300 -0.715 0.000 1.022 534 V CB -1.718 29.524 31.823 -0.968 0.000 0.641 534 V HN 0.133 nan 8.190 nan 0.000 0.445 535 W N -0.249 120.867 121.300 -0.306 0.000 2.342 535 W HA -0.163 4.497 4.660 0.001 0.000 0.297 535 W C 2.510 178.976 176.519 -0.088 0.000 1.213 535 W CA 1.434 58.655 57.345 -0.207 0.000 1.251 535 W CB -0.669 28.666 29.460 -0.208 0.000 1.136 535 W HN 0.392 nan 8.180 nan 0.000 0.526 536 H N -0.193 118.932 119.070 0.092 0.000 2.491 536 H HA -0.088 4.469 4.556 0.001 0.000 0.290 536 H C 2.001 177.324 175.328 -0.009 0.000 1.050 536 H CA 1.015 57.087 56.048 0.040 0.000 1.309 536 H CB -0.262 29.511 29.762 0.018 0.000 1.392 536 H HN 0.182 nan 8.280 nan 0.000 0.554 537 I N 1.016 121.598 120.570 0.019 0.000 2.118 537 I HA -0.298 3.872 4.170 0.001 0.000 0.241 537 I C 2.455 178.607 176.117 0.058 0.000 1.070 537 I CA 1.324 62.602 61.300 -0.037 0.000 1.327 537 I CB -0.254 37.657 38.000 -0.149 0.000 1.034 537 I HN 0.309 nan 8.210 nan 0.000 0.405 538 A N 0.241 123.115 122.820 0.090 0.000 2.259 538 A HA 0.348 4.669 4.320 0.001 0.000 0.208 538 A C 1.677 179.330 177.584 0.115 0.000 1.201 538 A CA 0.661 52.766 52.037 0.113 0.000 0.824 538 A CB -0.710 18.362 19.000 0.119 0.000 0.838 538 A HN 0.672 nan 8.150 nan 0.000 0.485 539 G N -0.660 108.213 108.800 0.121 0.000 2.147 539 G HA2 -0.220 3.740 3.960 0.001 0.000 0.244 539 G HA3 -0.220 3.740 3.960 0.001 0.000 0.244 539 G C -0.004 174.969 174.900 0.121 0.000 1.005 539 G CA 0.254 45.418 45.100 0.105 0.000 0.713 539 G HN 0.482 nan 8.290 nan 0.000 0.515 540 I N 1.314 121.991 120.570 0.178 0.000 2.325 540 I HA 0.231 4.401 4.170 0.001 0.000 0.291 540 I C 0.260 176.504 176.117 0.212 0.000 1.019 540 I CA -0.793 60.607 61.300 0.166 0.000 1.302 540 I CB 0.715 38.833 38.000 0.197 0.000 1.401 540 I HN -0.030 nan 8.210 nan 0.000 0.485 541 D N 4.219 124.692 120.400 0.122 0.000 2.368 541 D HA 0.131 4.771 4.640 0.001 0.000 0.240 541 D C 0.273 176.644 176.300 0.118 0.000 1.169 541 D CA 0.411 54.485 54.000 0.123 0.000 0.906 541 D CB 1.075 41.909 40.800 0.057 0.000 1.187 541 D HN 0.540 nan 8.370 nan 0.000 0.435 542 T N -1.122 113.526 114.554 0.157 0.000 3.226 542 T HA 0.412 4.763 4.350 0.001 0.000 0.378 542 T C -2.599 172.123 174.700 0.036 0.000 1.380 542 T CA -1.656 60.486 62.100 0.071 0.000 1.396 542 T CB 1.170 70.111 68.868 0.122 0.000 1.044 542 T HN 0.059 nan 8.240 nan 0.000 0.586 543 P HA 0.287 nan 4.420 nan 0.000 0.271 543 P C -0.532 176.696 177.300 -0.121 0.000 1.218 543 P CA -0.041 63.098 63.100 0.066 0.000 0.780 543 P CB 0.818 32.645 31.700 0.213 0.000 0.901 544 Q N -0.067 119.646 119.800 -0.146 0.000 2.685 544 Q HA 0.720 5.060 4.340 0.001 0.000 0.301 544 Q C -2.038 173.838 176.000 -0.207 0.000 0.924 544 Q CA -1.134 54.395 55.803 -0.457 0.000 0.755 544 Q CB 1.699 30.241 28.738 -0.327 0.000 1.470 544 Q HN 0.244 nan 8.270 nan 0.000 0.434 545 V N 0.082 119.827 119.914 -0.283 0.000 2.760 545 V HA 0.370 4.490 4.120 0.001 0.000 0.309 545 V C -1.388 174.600 176.094 -0.178 0.000 1.077 545 V CA -0.430 61.833 62.300 -0.062 0.000 0.910 545 V CB 2.128 34.038 31.823 0.145 0.000 1.008 545 V HN 0.862 nan 8.190 nan 0.000 0.424 546 E N 5.065 125.233 120.200 -0.053 0.000 1.932 546 E HA 0.494 4.845 4.350 0.001 0.000 0.259 546 E C 0.633 177.316 176.600 0.138 0.000 1.099 546 E CA 0.576 56.991 56.400 0.025 0.000 0.970 546 E CB 0.783 30.640 29.700 0.262 0.000 1.143 546 E HN 1.216 nan 8.360 nan 0.000 0.441 547 G N 2.319 111.134 108.800 0.026 0.000 2.641 547 G HA2 -0.050 3.910 3.960 0.001 0.000 0.254 547 G HA3 -0.050 3.910 3.960 0.001 0.000 0.254 547 G C 0.339 175.292 174.900 0.088 0.000 1.315 547 G CA -0.492 44.683 45.100 0.124 0.000 0.907 547 G HN 1.053 nan 8.290 nan 0.000 0.572 548 G N -3.392 105.461 108.800 0.089 0.000 2.479 548 G HA2 0.536 4.497 3.960 0.001 0.000 0.686 548 G HA3 0.536 4.497 3.960 0.001 0.000 0.686 548 G C 0.369 175.306 174.900 0.061 0.000 1.295 548 G CA 0.620 45.763 45.100 0.071 0.000 0.922 548 G HN 2.881 nan 8.290 nan 0.000 0.582 549 T N -2.037 112.549 114.554 0.053 0.000 2.701 549 T HA 0.462 4.812 4.350 0.001 0.000 0.303 549 T C 1.818 176.549 174.700 0.052 0.000 1.030 549 T CA 1.219 63.347 62.100 0.047 0.000 1.010 549 T CB 0.603 69.495 68.868 0.039 0.000 1.007 549 T HN 1.100 nan 8.240 nan 0.000 0.532 550 T N 1.187 115.769 114.554 0.047 0.000 2.708 550 T HA -0.059 4.291 4.350 0.001 0.000 0.266 550 T C 2.424 177.154 174.700 0.050 0.000 1.037 550 T CA 1.427 63.556 62.100 0.050 0.000 1.146 550 T CB -0.968 67.926 68.868 0.043 0.000 0.865 550 T HN 0.786 nan 8.240 nan 0.000 0.435 551 A N 1.792 124.638 122.820 0.044 0.000 1.873 551 A HA -0.223 4.098 4.320 0.001 0.000 0.218 551 A C 2.202 179.816 177.584 0.050 0.000 1.193 551 A CA 2.043 54.105 52.037 0.042 0.000 0.629 551 A CB -0.769 18.251 19.000 0.033 0.000 0.826 551 A HN 0.603 nan 8.150 nan 0.000 0.447 552 E N -0.392 119.840 120.200 0.055 0.000 2.070 552 E HA -0.208 4.142 4.350 0.001 0.000 0.197 552 E C 1.917 178.572 176.600 0.092 0.000 1.004 552 E CA 1.476 57.915 56.400 0.065 0.000 0.805 552 E CB -0.399 29.339 29.700 0.064 0.000 0.744 552 E HN 0.720 nan 8.360 nan 0.000 0.451 553 I N 0.635 121.269 120.570 0.106 0.000 2.127 553 I HA -0.303 3.867 4.170 0.001 0.000 0.241 553 I C 2.391 178.600 176.117 0.153 0.000 1.075 553 I CA 1.006 62.402 61.300 0.159 0.000 1.334 553 I CB -0.415 37.665 38.000 0.134 0.000 1.040 553 I HN 0.001 nan 8.210 nan 0.000 0.405 554 V N 0.651 120.625 119.914 0.100 0.000 2.287 554 V HA -0.304 3.817 4.120 0.001 0.000 0.248 554 V C 2.553 178.692 176.094 0.075 0.000 1.053 554 V CA 2.283 64.640 62.300 0.096 0.000 1.027 554 V CB -0.761 31.103 31.823 0.068 0.000 0.646 554 V HN 0.446 nan 8.190 nan 0.000 0.447 555 E N 0.971 121.200 120.200 0.047 0.000 2.058 555 E HA -0.197 4.153 4.350 0.001 0.000 0.194 555 E C 2.127 178.719 176.600 -0.012 0.000 0.997 555 E CA 1.876 58.285 56.400 0.014 0.000 0.801 555 E CB -0.632 29.081 29.700 0.021 0.000 0.746 555 E HN 0.498 nan 8.360 nan 0.000 0.450 556 A N 0.098 122.939 122.820 0.034 0.000 1.883 556 A HA -0.151 4.169 4.320 0.001 0.000 0.217 556 A C 2.261 179.717 177.584 -0.213 0.000 1.186 556 A CA 1.586 53.654 52.037 0.050 0.000 0.624 556 A CB -1.109 18.038 19.000 0.245 0.000 0.822 556 A HN 0.466 nan 8.150 nan 0.000 0.444 557 F N 0.979 120.536 119.950 -0.656 0.000 2.043 557 F HA -0.221 4.306 4.527 0.001 0.000 0.297 557 F C 2.130 177.561 175.800 -0.615 0.000 1.121 557 F CA 2.369 59.609 58.000 -1.266 0.000 1.199 557 F CB -0.492 38.013 39.000 -0.826 0.000 0.968 557 F HN 0.160 nan 8.300 nan 0.000 0.478 558 K N 0.050 120.152 120.400 -0.496 0.000 2.044 558 K HA -0.268 4.052 4.320 0.001 0.000 0.210 558 K C 2.127 178.520 176.600 -0.343 0.000 1.049 558 K CA 2.047 58.078 56.287 -0.426 0.000 0.927 558 K CB -0.355 32.048 32.500 -0.162 0.000 0.713 558 K HN 0.101 nan 8.250 nan 0.000 0.443 559 K N 1.021 121.283 120.400 -0.231 0.000 2.147 559 K HA -0.124 4.197 4.320 0.001 0.000 0.205 559 K C 2.078 178.585 176.600 -0.154 0.000 1.049 559 K CA 1.695 57.893 56.287 -0.149 0.000 0.936 559 K CB -0.209 32.247 32.500 -0.073 0.000 0.722 559 K HN 0.202 nan 8.250 nan 0.000 0.446 560 S N -1.131 114.443 115.700 -0.210 0.000 2.382 560 S HA -0.038 4.433 4.470 0.001 0.000 0.228 560 S C 1.641 176.134 174.600 -0.178 0.000 1.027 560 S CA 1.289 59.409 58.200 -0.134 0.000 0.991 560 S CB -0.587 62.579 63.200 -0.056 0.000 0.823 560 S HN 0.577 nan 8.310 nan 0.000 0.469 561 G N 0.622 109.231 108.800 -0.318 0.000 2.157 561 G HA2 -0.007 3.953 3.960 0.001 0.000 0.239 561 G HA3 -0.007 3.953 3.960 0.001 0.000 0.239 561 G C 0.193 174.936 174.900 -0.262 0.000 0.982 561 G CA 0.129 45.068 45.100 -0.268 0.000 0.650 561 G HN 1.311 nan 8.290 nan 0.000 0.527 562 A N -0.430 122.193 122.820 -0.330 0.000 2.351 562 A HA 0.717 5.037 4.320 0.001 0.000 0.257 562 A C 1.114 178.623 177.584 -0.125 0.000 1.087 562 A CA 0.805 52.755 52.037 -0.144 0.000 0.798 562 A CB 0.442 19.474 19.000 0.053 0.000 1.033 562 A HN 0.455 nan 8.150 nan 0.000 0.488 563 Q N 0.132 119.958 119.800 0.044 0.000 2.392 563 Q HA 0.192 4.532 4.340 0.001 0.000 0.219 563 Q C -0.377 175.764 176.000 0.235 0.000 0.895 563 Q CA 0.375 56.253 55.803 0.125 0.000 0.929 563 Q CB 0.546 29.324 28.738 0.067 0.000 1.077 563 Q HN 0.477 nan 8.270 nan 0.000 0.532 564 V N 0.714 120.753 119.914 0.209 0.000 2.581 564 V HA 0.732 4.852 4.120 0.001 0.000 0.303 564 V C -0.733 175.497 176.094 0.226 0.000 1.041 564 V CA -0.657 61.754 62.300 0.184 0.000 0.907 564 V CB 1.661 33.559 31.823 0.125 0.000 0.994 564 V HN 0.209 nan 8.190 nan 0.000 0.442 565 A N 2.901 125.825 122.820 0.172 0.000 2.469 565 A HA 0.822 5.142 4.320 0.001 0.000 0.299 565 A C -1.488 176.202 177.584 0.178 0.000 1.098 565 A CA -0.521 51.619 52.037 0.172 0.000 0.737 565 A CB 1.883 20.901 19.000 0.030 0.000 1.312 565 A HN 0.724 nan 8.150 nan 0.000 0.414 566 D N 1.183 121.676 120.400 0.155 0.000 2.620 566 D HA 0.491 5.131 4.640 0.001 0.000 0.252 566 D C -1.113 175.296 176.300 0.181 0.000 1.207 566 D CA -0.202 53.940 54.000 0.236 0.000 0.884 566 D CB 0.919 41.898 40.800 0.298 0.000 1.262 566 D HN 0.385 nan 8.370 nan 0.000 0.552 567 L N 3.288 124.643 121.223 0.220 0.000 2.369 567 L HA 0.355 4.696 4.340 0.001 0.000 0.279 567 L C -0.240 176.821 176.870 0.318 0.000 1.108 567 L CA -0.408 54.580 54.840 0.247 0.000 0.852 567 L CB 0.612 42.851 42.059 0.300 0.000 1.169 567 L HN 0.368 nan 8.230 nan 0.000 0.452 568 C N 2.904 122.324 119.300 0.199 0.000 2.322 568 C HA 0.797 5.257 4.460 0.001 0.000 0.324 568 C C 0.389 175.404 174.990 0.041 0.000 1.249 568 C CA -0.349 58.773 59.018 0.172 0.000 1.453 568 C CB 0.741 28.530 27.740 0.083 0.000 2.145 568 C HN 0.920 nan 8.230 nan 0.000 0.466 569 S N 1.292 116.922 115.700 -0.117 0.000 2.669 569 S HA 0.626 5.096 4.470 0.001 0.000 0.266 569 S C -0.365 173.908 174.600 -0.544 0.000 1.149 569 S CA -0.097 57.893 58.200 -0.350 0.000 0.842 569 S CB 0.985 63.868 63.200 -0.529 0.000 1.160 569 S HN 1.030 nan 8.310 nan 0.000 0.487 570 S N 1.086 116.539 115.700 -0.412 0.000 2.661 570 S HA 0.700 5.170 4.470 0.001 0.000 0.265 570 S C 1.446 175.813 174.600 -0.388 0.000 1.225 570 S CA 0.086 58.112 58.200 -0.291 0.000 0.986 570 S CB 0.685 63.791 63.200 -0.156 0.000 1.008 570 S HN 1.400 nan 8.310 nan 0.000 0.565 571 A N 0.738 123.487 122.820 -0.119 0.000 1.929 571 A HA -0.015 4.305 4.320 0.001 0.000 0.216 571 A C 2.170 179.732 177.584 -0.036 0.000 1.176 571 A CA 1.574 53.620 52.037 0.014 0.000 0.628 571 A CB -0.953 18.079 19.000 0.053 0.000 0.816 571 A HN 0.946 nan 8.150 nan 0.000 0.444 572 K N 0.018 120.379 120.400 -0.066 0.000 2.026 572 K HA -0.120 4.200 4.320 0.001 0.000 0.208 572 K C 1.750 178.301 176.600 -0.081 0.000 1.048 572 K CA 1.886 58.139 56.287 -0.056 0.000 0.929 572 K CB -0.309 32.160 32.500 -0.051 0.000 0.713 572 K HN 0.224 nan 8.250 nan 0.000 0.439 573 V N 0.794 120.625 119.914 -0.137 0.000 2.427 573 V HA -0.232 3.889 4.120 0.001 0.000 0.248 573 V C 2.156 178.152 176.094 -0.163 0.000 1.051 573 V CA 1.528 63.739 62.300 -0.148 0.000 1.048 573 V CB -0.787 30.931 31.823 -0.174 0.000 0.666 573 V HN 0.269 nan 8.190 nan 0.000 0.456 574 Y N 1.078 121.233 120.300 -0.242 0.000 2.097 574 Y HA -0.210 4.340 4.550 0.001 0.000 0.282 574 Y C 2.628 178.212 175.900 -0.527 0.000 1.152 574 Y CA 1.029 58.804 58.100 -0.541 0.000 1.136 574 Y CB -1.499 36.478 38.460 -0.806 0.000 0.975 574 Y HN 0.178 nan 8.280 nan 0.000 0.498 575 A N 0.267 123.004 122.820 -0.139 0.000 1.870 575 A HA -0.373 3.947 4.320 0.001 0.000 0.219 575 A C 2.166 179.745 177.584 -0.010 0.000 1.224 575 A CA 2.663 54.679 52.037 -0.035 0.000 0.650 575 A CB -1.163 17.842 19.000 0.008 0.000 0.836 575 A HN 0.609 nan 8.150 nan 0.000 0.454 576 Q N -0.855 118.935 119.800 -0.016 0.000 2.014 576 Q HA -0.253 4.088 4.340 0.001 0.000 0.207 576 Q C 2.084 178.092 176.000 0.014 0.000 0.993 576 Q CA 1.977 57.781 55.803 0.001 0.000 0.850 576 Q CB -0.226 28.507 28.738 -0.008 0.000 0.916 576 Q HN 0.999 nan 8.270 nan 0.000 0.417 577 Q N -1.306 118.497 119.800 0.006 0.000 2.164 577 Q HA 0.252 4.592 4.340 0.001 0.000 0.226 577 Q C 1.653 177.691 176.000 0.064 0.000 0.813 577 Q CA 0.350 56.174 55.803 0.035 0.000 0.978 577 Q CB 0.411 29.168 28.738 0.031 0.000 1.149 577 Q HN 0.233 nan 8.270 nan 0.000 0.489 578 G N 2.454 111.277 108.800 0.038 0.000 2.514 578 G HA2 -0.319 3.642 3.960 0.001 0.000 0.217 578 G HA3 -0.319 3.642 3.960 0.001 0.000 0.217 578 G C 1.312 176.388 174.900 0.294 0.000 1.198 578 G CA 1.288 46.448 45.100 0.099 0.000 0.780 578 G HN 0.317 nan 8.290 nan 0.000 0.565 579 L N 0.709 122.134 121.223 0.336 0.000 2.017 579 L HA 0.007 4.347 4.340 0.001 0.000 0.208 579 L C 2.602 179.556 176.870 0.140 0.000 1.073 579 L CA 2.761 57.755 54.840 0.257 0.000 0.745 579 L CB -0.890 41.297 42.059 0.213 0.000 0.894 579 L HN 0.489 nan 8.230 nan 0.000 0.432 580 E N -0.698 119.568 120.200 0.109 0.000 2.048 580 E HA -0.259 4.091 4.350 0.001 0.000 0.202 580 E C 2.024 178.665 176.600 0.069 0.000 1.021 580 E CA 2.613 59.057 56.400 0.073 0.000 0.825 580 E CB -0.200 29.538 29.700 0.063 0.000 0.756 580 E HN 0.410 nan 8.360 nan 0.000 0.454 581 V N 1.235 121.199 119.914 0.082 0.000 2.287 581 V HA -0.307 3.813 4.120 0.001 0.000 0.248 581 V C 2.492 178.621 176.094 0.059 0.000 1.053 581 V CA 1.971 64.314 62.300 0.073 0.000 1.027 581 V CB -1.038 30.839 31.823 0.090 0.000 0.646 581 V HN 0.487 nan 8.190 nan 0.000 0.447 582 A N -0.424 122.452 122.820 0.094 0.000 1.883 582 A HA -0.277 4.043 4.320 0.001 0.000 0.217 582 A C 2.330 179.924 177.584 0.017 0.000 1.186 582 A CA 2.244 54.320 52.037 0.065 0.000 0.624 582 A CB -0.524 18.546 19.000 0.118 0.000 0.822 582 A HN 0.527 nan 8.150 nan 0.000 0.444 583 K N -0.621 119.797 120.400 0.029 0.000 2.009 583 K HA -0.154 4.167 4.320 0.001 0.000 0.210 583 K C 2.380 178.980 176.600 -0.001 0.000 1.049 583 K CA 1.310 57.603 56.287 0.010 0.000 0.929 583 K CB -0.397 32.115 32.500 0.021 0.000 0.714 583 K HN 0.448 nan 8.250 nan 0.000 0.440 584 A N 1.367 124.191 122.820 0.007 0.000 1.917 584 A HA -0.188 4.133 4.320 0.001 0.000 0.219 584 A C 2.145 179.712 177.584 -0.029 0.000 1.182 584 A CA 1.503 53.541 52.037 0.002 0.000 0.633 584 A CB -0.742 18.268 19.000 0.017 0.000 0.819 584 A HN 0.215 nan 8.150 nan 0.000 0.448 585 L N -1.054 120.119 121.223 -0.084 0.000 2.083 585 L HA -0.167 4.173 4.340 0.001 0.000 0.209 585 L C 2.588 179.347 176.870 -0.185 0.000 1.083 585 L CA 1.287 55.988 54.840 -0.232 0.000 0.752 585 L CB -0.397 41.454 42.059 -0.347 0.000 0.899 585 L HN 0.210 nan 8.230 nan 0.000 0.433 586 K N 0.212 120.553 120.400 -0.098 0.000 2.148 586 K HA -0.070 4.251 4.320 0.001 0.000 0.204 586 K C 2.164 178.755 176.600 -0.014 0.000 1.050 586 K CA 1.326 57.582 56.287 -0.051 0.000 0.942 586 K CB -0.337 32.140 32.500 -0.040 0.000 0.724 586 K HN 0.273 nan 8.250 nan 0.000 0.446 587 A N 1.141 123.957 122.820 -0.007 0.000 1.908 587 A HA -0.113 4.208 4.320 0.001 0.000 0.218 587 A C 2.174 179.777 177.584 0.032 0.000 1.181 587 A CA 2.045 54.089 52.037 0.011 0.000 0.627 587 A CB -0.502 18.505 19.000 0.011 0.000 0.818 587 A HN 0.283 nan 8.150 nan 0.000 0.445 588 A N -2.220 120.632 122.820 0.055 0.000 2.235 588 A HA 0.414 4.735 4.320 0.001 0.000 0.208 588 A C 1.681 179.364 177.584 0.164 0.000 1.172 588 A CA 1.359 53.462 52.037 0.111 0.000 0.786 588 A CB -0.782 18.322 19.000 0.173 0.000 0.804 588 A HN 1.802 nan 8.150 nan 0.000 0.479 589 G N -1.885 106.999 108.800 0.140 0.000 2.428 589 G HA2 0.166 4.126 3.960 0.001 0.000 0.199 589 G HA3 0.166 4.126 3.960 0.001 0.000 0.199 589 G C 0.570 175.575 174.900 0.175 0.000 1.005 589 G CA -0.084 45.100 45.100 0.140 0.000 0.671 589 G HN 1.600 nan 8.290 nan 0.000 0.485 590 A N 1.373 124.337 122.820 0.240 0.000 2.558 590 A HA 0.350 4.670 4.320 0.001 0.000 0.262 590 A C 1.437 179.070 177.584 0.081 0.000 1.049 590 A CA 1.740 53.882 52.037 0.176 0.000 0.804 590 A CB 0.047 18.960 19.000 -0.145 0.000 0.957 590 A HN 0.473 nan 8.150 nan 0.000 0.520 591 K N 1.514 121.975 120.400 0.101 0.000 2.057 591 K HA 0.038 4.358 4.320 0.001 0.000 0.206 591 K C 0.767 177.382 176.600 0.025 0.000 1.050 591 K CA 1.587 57.908 56.287 0.056 0.000 0.935 591 K CB -0.024 32.515 32.500 0.066 0.000 0.715 591 K HN 0.901 nan 8.250 nan 0.000 0.439 592 A N 0.544 123.381 122.820 0.029 0.000 2.498 592 A HA 0.642 4.962 4.320 0.001 0.000 0.298 592 A C -1.428 176.120 177.584 -0.061 0.000 1.075 592 A CA -0.724 51.285 52.037 -0.047 0.000 0.714 592 A CB 1.394 20.365 19.000 -0.048 0.000 1.299 592 A HN 0.154 nan 8.150 nan 0.000 0.407 593 L N 1.503 122.628 121.223 -0.164 0.000 2.381 593 L HA 0.512 4.853 4.340 0.001 0.000 0.274 593 L C -1.587 175.180 176.870 -0.171 0.000 0.988 593 L CA -0.455 54.333 54.840 -0.087 0.000 0.824 593 L CB 1.825 43.852 42.059 -0.052 0.000 1.263 593 L HN 0.800 nan 8.230 nan 0.000 0.410 594 Y N 3.051 123.429 120.300 0.131 0.000 2.446 594 Y HA 0.529 5.080 4.550 0.001 0.000 0.338 594 Y C -0.267 175.729 175.900 0.161 0.000 1.055 594 Y CA -0.690 57.521 58.100 0.185 0.000 1.101 594 Y CB 2.131 40.782 38.460 0.319 0.000 1.221 594 Y HN 0.333 nan 8.280 nan 0.000 0.460 595 L N 1.907 123.288 121.223 0.262 0.000 2.313 595 L HA 0.545 4.886 4.340 0.001 0.000 0.283 595 L C -0.523 176.442 176.870 0.157 0.000 1.013 595 L CA -0.153 54.769 54.840 0.138 0.000 0.816 595 L CB 1.481 43.514 42.059 -0.044 0.000 1.236 595 L HN 0.513 nan 8.230 nan 0.000 0.419 596 S N 4.343 120.174 115.700 0.218 0.000 2.955 596 S HA 0.797 5.267 4.470 0.001 0.000 0.294 596 S C 0.250 174.975 174.600 0.210 0.000 1.198 596 S CA 0.186 58.529 58.200 0.238 0.000 1.008 596 S CB -0.262 63.111 63.200 0.288 0.000 1.279 596 S HN 1.176 nan 8.310 nan 0.000 0.508 597 G N 1.520 110.378 108.800 0.096 0.000 2.350 597 G HA2 0.464 4.424 3.960 0.001 0.000 0.282 597 G HA3 0.464 4.424 3.960 0.001 0.000 0.282 597 G C -1.377 173.454 174.900 -0.115 0.000 1.314 597 G CA -0.325 44.807 45.100 0.052 0.000 0.915 597 G HN 0.781 nan 8.290 nan 0.000 0.499 598 A N -1.116 121.636 122.820 -0.112 0.000 2.311 598 A HA 0.805 5.126 4.320 0.001 0.000 0.334 598 A C 0.546 178.039 177.584 -0.152 0.000 1.139 598 A CA -0.412 51.490 52.037 -0.226 0.000 0.830 598 A CB 0.701 19.625 19.000 -0.126 0.000 1.234 598 A HN 0.930 nan 8.150 nan 0.000 0.483 599 F N 0.236 120.152 119.950 -0.056 0.000 2.293 599 F HA -0.052 4.475 4.527 0.001 0.000 0.300 599 F C 2.316 178.117 175.800 0.002 0.000 1.086 599 F CA 1.758 59.687 58.000 -0.118 0.000 1.375 599 F CB -0.107 38.774 39.000 -0.198 0.000 1.045 599 F HN 0.730 nan 8.300 nan 0.000 0.516 600 K N 0.387 120.905 120.400 0.196 0.000 2.525 600 K HA -0.036 4.285 4.320 0.001 0.000 0.192 600 K C 1.170 177.883 176.600 0.188 0.000 1.029 600 K CA 0.880 57.263 56.287 0.160 0.000 1.029 600 K CB -0.411 32.142 32.500 0.088 0.000 0.814 600 K HN 0.266 nan 8.250 nan 0.000 0.503 601 E N 0.371 120.720 120.200 0.249 0.000 2.274 601 E HA -0.073 4.278 4.350 0.001 0.000 0.194 601 E C 0.753 177.476 176.600 0.205 0.000 0.996 601 E CA 0.684 57.216 56.400 0.221 0.000 0.840 601 E CB -0.100 29.751 29.700 0.252 0.000 0.772 601 E HN 0.365 nan 8.360 nan 0.000 0.491 602 F N 0.344 120.353 119.950 0.098 0.000 2.748 602 F HA 0.074 4.601 4.527 0.001 0.000 0.299 602 F C 1.872 177.711 175.800 0.065 0.000 1.154 602 F CA 0.762 58.817 58.000 0.091 0.000 1.446 602 F CB -0.274 38.765 39.000 0.065 0.000 1.112 602 F HN 0.066 nan 8.300 nan 0.000 0.584 603 G N 0.676 109.605 108.800 0.216 0.000 2.601 603 G HA2 -0.376 3.584 3.960 0.001 0.000 0.306 603 G HA3 -0.376 3.584 3.960 0.001 0.000 0.306 603 G C 0.971 175.937 174.900 0.111 0.000 1.172 603 G CA 0.558 45.735 45.100 0.128 0.000 0.966 603 G HN 0.282 nan 8.290 nan 0.000 0.542 604 D N 1.600 122.054 120.400 0.091 0.000 2.355 604 D HA 0.092 4.732 4.640 0.001 0.000 0.218 604 D C 0.924 177.263 176.300 0.066 0.000 1.004 604 D CA 0.907 54.945 54.000 0.063 0.000 0.880 604 D CB 0.011 40.838 40.800 0.046 0.000 0.911 604 D HN 0.415 nan 8.370 nan 0.000 0.528 605 D N 0.519 120.988 120.400 0.115 0.000 2.342 605 D HA 0.126 4.766 4.640 0.001 0.000 0.221 605 D C 1.776 178.110 176.300 0.055 0.000 1.101 605 D CA -0.041 54.031 54.000 0.121 0.000 0.837 605 D CB 0.429 41.369 40.800 0.234 0.000 0.938 605 D HN 0.037 nan 8.370 nan 0.000 0.508 606 A N 1.165 124.000 122.820 0.025 0.000 1.873 606 A HA -0.031 4.289 4.320 0.001 0.000 0.215 606 A C 2.305 179.745 177.584 -0.240 0.000 1.186 606 A CA 1.790 53.762 52.037 -0.108 0.000 0.616 606 A CB -0.491 18.510 19.000 0.000 0.000 0.823 606 A HN 0.249 nan 8.150 nan 0.000 0.442 607 A N -0.418 122.303 122.820 -0.165 0.000 1.858 607 A HA -0.169 4.151 4.320 0.001 0.000 0.216 607 A C 1.967 179.421 177.584 -0.216 0.000 1.190 607 A CA 1.718 53.638 52.037 -0.196 0.000 0.617 607 A CB -0.587 18.340 19.000 -0.121 0.000 0.827 607 A HN 0.475 nan 8.150 nan 0.000 0.443 608 E N -0.143 119.967 120.200 -0.150 0.000 2.035 608 E HA -0.281 4.070 4.350 0.001 0.000 0.204 608 E C 2.407 178.892 176.600 -0.191 0.000 1.025 608 E CA 1.523 57.846 56.400 -0.129 0.000 0.835 608 E CB -0.798 28.866 29.700 -0.060 0.000 0.764 608 E HN 0.556 nan 8.360 nan 0.000 0.457 609 A N 1.162 123.824 122.820 -0.264 0.000 1.927 609 A HA -0.306 4.014 4.320 0.001 0.000 0.220 609 A C 2.364 179.695 177.584 -0.422 0.000 1.185 609 A CA 3.245 55.048 52.037 -0.390 0.000 0.639 609 A CB -1.073 17.374 19.000 -0.922 0.000 0.820 609 A HN 0.450 nan 8.150 nan 0.000 0.451 610 E N -0.946 118.868 120.200 -0.644 0.000 2.204 610 E HA -0.126 4.225 4.350 0.001 0.000 0.195 610 E C 2.078 178.410 176.600 -0.447 0.000 0.990 610 E CA 2.374 58.240 56.400 -0.889 0.000 0.821 610 E CB -1.210 27.805 29.700 -1.141 0.000 0.750 610 E HN 0.932 nan 8.360 nan 0.000 0.477 611 K N 0.324 120.549 120.400 -0.292 0.000 2.366 611 K HA 0.345 4.665 4.320 0.001 0.000 0.198 611 K C 2.157 178.678 176.600 -0.131 0.000 1.044 611 K CA 1.007 57.185 56.287 -0.182 0.000 0.973 611 K CB -0.455 31.959 32.500 -0.144 0.000 0.767 611 K HN 0.499 nan 8.250 nan 0.000 0.475 612 L N -0.621 120.527 121.223 -0.125 0.000 2.298 612 L HA 0.323 4.664 4.340 0.001 0.000 0.209 612 L C 0.825 177.651 176.870 -0.074 0.000 1.084 612 L CA -0.087 54.703 54.840 -0.084 0.000 0.816 612 L CB -0.104 41.916 42.059 -0.064 0.000 0.967 612 L HN 0.117 nan 8.230 nan 0.000 0.460 613 I N 1.028 121.561 120.570 -0.062 0.000 2.352 613 I HA 0.010 4.181 4.170 0.001 0.000 0.290 613 I C 0.338 176.445 176.117 -0.017 0.000 1.036 613 I CA 0.068 61.369 61.300 0.001 0.000 1.336 613 I CB 1.296 39.407 38.000 0.186 0.000 1.407 613 I HN 0.029 nan 8.210 nan 0.000 0.497 614 D N 3.776 124.098 120.400 -0.131 0.000 2.289 614 D HA 0.169 4.809 4.640 0.001 0.000 0.207 614 D C 0.735 176.969 176.300 -0.110 0.000 0.966 614 D CA 0.523 54.420 54.000 -0.171 0.000 0.868 614 D CB 0.404 41.007 40.800 -0.329 0.000 0.943 614 D HN 0.701 nan 8.370 nan 0.000 0.514 615 G N -0.824 107.930 108.800 -0.076 0.000 2.547 615 G HA2 0.543 4.503 3.960 0.001 0.000 0.291 615 G HA3 0.543 4.503 3.960 0.001 0.000 0.291 615 G C -1.491 173.586 174.900 0.295 0.000 1.471 615 G CA -1.042 44.173 45.100 0.192 0.000 0.798 615 G HN -0.110 nan 8.290 nan 0.000 0.504 616 R N -0.445 120.223 120.500 0.281 0.000 2.711 616 R HA 0.666 5.007 4.340 0.001 0.000 0.284 616 R C -0.621 175.879 176.300 0.333 0.000 0.968 616 R CA -0.842 55.401 56.100 0.238 0.000 0.924 616 R CB 2.215 32.547 30.300 0.052 0.000 1.162 616 R HN 0.305 nan 8.270 nan 0.000 0.465 617 L N 4.547 125.929 121.223 0.264 0.000 2.298 617 L HA 0.584 4.924 4.340 0.001 0.000 0.284 617 L C -0.961 176.068 176.870 0.265 0.000 1.013 617 L CA -0.586 54.340 54.840 0.143 0.000 0.824 617 L CB 0.521 42.626 42.059 0.077 0.000 1.221 617 L HN 0.622 nan 8.230 nan 0.000 0.418 618 F N 1.085 121.092 119.950 0.096 0.000 2.686 618 F HA 0.547 5.074 4.527 0.000 0.000 0.311 618 F C -0.421 175.341 175.800 -0.064 0.000 1.128 618 F CA -1.390 56.560 58.000 -0.083 0.000 0.946 618 F CB 1.566 40.509 39.000 -0.095 0.000 1.336 618 F HN 0.274 nan 8.300 nan 0.000 0.457 619 M N 2.635 122.160 119.600 -0.124 0.000 2.303 619 M HA 0.398 4.879 4.480 0.001 0.000 0.350 619 M C 1.021 177.350 176.300 0.049 0.000 1.518 619 M CA 2.202 57.458 55.300 -0.074 0.000 1.070 619 M CB -0.143 32.382 32.600 -0.125 0.000 1.910 619 M HN 1.306 nan 8.290 nan 0.000 0.458 620 G N 3.594 112.376 108.800 -0.031 0.000 2.201 620 G HA2 -0.222 3.738 3.960 0.001 0.000 0.212 620 G HA3 -0.222 3.738 3.960 0.001 0.000 0.212 620 G C 0.183 174.971 174.900 -0.186 0.000 0.994 620 G CA 0.114 45.198 45.100 -0.027 0.000 0.644 620 G HN 0.813 nan 8.290 nan 0.000 0.508 621 M N 0.588 119.830 119.600 -0.596 0.000 2.245 621 M HA 0.494 4.974 4.480 0.001 0.000 0.312 621 M C -0.114 176.003 176.300 -0.304 0.000 1.070 621 M CA 0.403 55.245 55.300 -0.764 0.000 1.162 621 M CB 0.364 32.358 32.600 -1.011 0.000 1.448 621 M HN 0.055 nan 8.290 nan 0.000 0.446 622 D N 2.210 122.489 120.400 -0.202 0.000 2.339 622 D HA 0.225 4.865 4.640 0.001 0.000 0.241 622 D C 0.888 177.112 176.300 -0.128 0.000 1.183 622 D CA -0.539 53.401 54.000 -0.099 0.000 0.859 622 D CB 1.386 42.164 40.800 -0.037 0.000 1.067 622 D HN 0.606 nan 8.370 nan 0.000 0.484 623 V N 2.499 122.344 119.914 -0.114 0.000 2.788 623 V HA -0.079 4.041 4.120 0.001 0.000 0.251 623 V C 1.965 178.028 176.094 -0.053 0.000 1.068 623 V CA 0.663 62.878 62.300 -0.142 0.000 1.090 623 V CB -0.490 31.223 31.823 -0.183 0.000 0.710 623 V HN 0.384 nan 8.190 nan 0.000 0.467 624 V N 1.462 121.380 119.914 0.006 0.000 2.261 624 V HA -0.265 3.855 4.120 0.001 0.000 0.246 624 V C 2.583 178.665 176.094 -0.020 0.000 1.047 624 V CA 2.761 65.051 62.300 -0.016 0.000 1.015 624 V CB -0.939 30.834 31.823 -0.084 0.000 0.642 624 V HN 0.650 nan 8.190 nan 0.000 0.446 625 D N 0.075 120.465 120.400 -0.017 0.000 2.088 625 D HA -0.169 4.472 4.640 0.001 0.000 0.191 625 D C 2.243 178.560 176.300 0.028 0.000 0.992 625 D CA 2.205 56.210 54.000 0.008 0.000 0.831 625 D CB -0.396 40.415 40.800 0.018 0.000 0.973 625 D HN 0.398 nan 8.370 nan 0.000 0.447 626 T N 0.480 115.038 114.554 0.006 0.000 2.635 626 T HA -0.173 4.177 4.350 0.001 0.000 0.267 626 T C 2.139 176.847 174.700 0.013 0.000 1.040 626 T CA 1.436 63.544 62.100 0.014 0.000 1.156 626 T CB -0.543 68.266 68.868 -0.097 0.000 0.863 626 T HN 0.151 nan 8.240 nan 0.000 0.430 627 L N 1.413 122.615 121.223 -0.034 0.000 2.083 627 L HA -0.134 4.206 4.340 0.001 0.000 0.209 627 L C 2.931 179.853 176.870 0.086 0.000 1.083 627 L CA 1.499 56.363 54.840 0.039 0.000 0.752 627 L CB -0.764 41.303 42.059 0.013 0.000 0.899 627 L HN 0.401 nan 8.230 nan 0.000 0.433 628 S N -1.624 114.112 115.700 0.060 0.000 2.368 628 S HA -0.197 4.274 4.470 0.001 0.000 0.224 628 S C 2.173 176.825 174.600 0.087 0.000 1.029 628 S CA 1.164 59.401 58.200 0.062 0.000 0.988 628 S CB -0.482 62.738 63.200 0.033 0.000 0.838 628 S HN 0.402 nan 8.310 nan 0.000 0.462 629 S N 1.731 117.495 115.700 0.107 0.000 2.368 629 S HA -0.136 4.334 4.470 0.001 0.000 0.225 629 S C 1.926 176.643 174.600 0.194 0.000 1.030 629 S CA 1.922 60.207 58.200 0.142 0.000 0.999 629 S CB -1.336 61.961 63.200 0.161 0.000 0.844 629 S HN 0.689 nan 8.310 nan 0.000 0.459 630 T N 2.899 117.598 114.554 0.241 0.000 2.746 630 T HA 0.007 4.357 4.350 0.001 0.000 0.267 630 T C 1.749 176.551 174.700 0.170 0.000 1.039 630 T CA 1.603 63.863 62.100 0.267 0.000 1.142 630 T CB -0.474 68.564 68.868 0.283 0.000 0.866 630 T HN 0.354 nan 8.240 nan 0.000 0.444 631 L N 0.865 122.169 121.223 0.136 0.000 2.083 631 L HA -0.099 4.241 4.340 0.001 0.000 0.209 631 L C 2.463 179.383 176.870 0.083 0.000 1.083 631 L CA 1.071 55.970 54.840 0.097 0.000 0.752 631 L CB -0.614 41.496 42.059 0.085 0.000 0.899 631 L HN 0.122 nan 8.230 nan 0.000 0.433 632 D N 0.444 120.895 120.400 0.085 0.000 2.097 632 D HA -0.161 4.479 4.640 0.001 0.000 0.195 632 D C 2.266 178.611 176.300 0.074 0.000 0.989 632 D CA 1.382 55.425 54.000 0.072 0.000 0.827 632 D CB -0.175 40.667 40.800 0.071 0.000 0.966 632 D HN 0.301 nan 8.370 nan 0.000 0.456 633 I N 0.387 121.016 120.570 0.097 0.000 2.286 633 I HA -0.211 3.960 4.170 0.001 0.000 0.248 633 I C 2.046 178.210 176.117 0.079 0.000 1.115 633 I CA 0.720 62.076 61.300 0.093 0.000 1.392 633 I CB -0.166 37.911 38.000 0.128 0.000 1.065 633 I HN -0.037 nan 8.210 nan 0.000 0.418 634 L N 0.443 121.713 121.223 0.078 0.000 2.552 634 L HA 0.124 4.464 4.340 0.001 0.000 0.227 634 L C 1.572 178.469 176.870 0.044 0.000 1.146 634 L CA 0.665 55.540 54.840 0.057 0.000 0.858 634 L CB -0.480 41.610 42.059 0.053 0.000 0.969 634 L HN 0.519 nan 8.230 nan 0.000 0.451 635 G N -0.157 108.669 108.800 0.044 0.000 2.141 635 G HA2 -0.228 3.732 3.960 0.001 0.000 0.231 635 G HA3 -0.228 3.732 3.960 0.001 0.000 0.231 635 G C 0.165 175.085 174.900 0.033 0.000 0.984 635 G CA -0.065 45.056 45.100 0.035 0.000 0.660 635 G HN 0.080 nan 8.290 nan 0.000 0.525 636 V N 1.265 121.202 119.914 0.039 0.000 2.614 636 V HA 0.627 4.748 4.120 0.001 0.000 0.291 636 V C 1.399 177.514 176.094 0.034 0.000 1.049 636 V CA -0.133 62.189 62.300 0.036 0.000 1.038 636 V CB 0.998 32.846 31.823 0.043 0.000 0.980 636 V HN 1.196 nan 8.190 nan 0.000 0.481 637 A N 5.301 128.139 122.820 0.029 0.000 2.504 637 A HA 0.423 4.743 4.320 0.001 0.000 0.242 637 A C 0.598 178.199 177.584 0.027 0.000 1.100 637 A CA 0.659 52.712 52.037 0.026 0.000 0.786 637 A CB 0.053 19.066 19.000 0.023 0.000 1.050 637 A HN 1.039 nan 8.150 nan 0.000 0.512 638 K N 0.000 120.414 120.400 0.023 0.000 2.780 638 K HA 0.000 4.320 4.320 0.001 0.000 0.191 638 K CA 0.000 56.299 56.287 0.020 0.000 0.838 638 K CB 0.000 32.512 32.500 0.020 0.000 1.064 638 K HN 0.000 nan 8.250 nan 0.000 0.543