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 2r70_1_A DATA FIRST_RESID 27 DATA SEQUENCE DVEELLIPKV WVPPEDPLAS PSRLAKFLRE NGYKVLQPRS LPENEEYETD DATA SEQUENCE QILPDLAWMR QIXXXVLKPT LSLPIGDQEY FPKYYPTHRP SKEKPNAYPP DATA SEQUENCE DIALLKQMIY LFLQVPEANE GLKDEVTLLT QNIRDKAYGS GTYMGQANRL DATA SEQUENCE VAMKEVATGR NPNKDPLKLG YTFESIAQLL DITLPVGPPX XXXXXXVPLT DATA SEQUENCE RVPSRMLVLT GXXXXXXEVE DYLPKINLKS SSGLPYVGRT KGETIGEMIA DATA SEQUENCE ISNQFLRELS TLLKQGAGTK GSNKKKLLSM LSDYWYLSCG LLFPKAERYD DATA SEQUENCE KSTWLTKTRN IWSAPSPTHL MISMITWPVM SNSPNNVLNI EGCPSLYKFN DATA SEQUENCE PFRGGLNRIV EWILAPEEPK ALVYADNIYI VHSNTWYSID LEKGEANCTR DATA SEQUENCE QHMQAAMYYI LTRGWSDNGD PMFNQTWATF AMNIAPALVV DSSCLIMNLQ DATA SEQUENCE IKTYGQGSGN AATFINNHLL STLVLDQWNL MRQPRPDSEE FKSIEDKLGI DATA SEQUENCE NFKIERSIDD IRGKLRQLVL LAQPGYLSGG VEPEQSSPTV ELDLLGWSAT DATA SEQUENCE YSKDLGIYVP VLDKERLFCS AAYPKGVEXX XXXXXVGIEQ AYKVVRYEAL DATA SEQUENCE RLVGGWNYPL LNKACKNNAG AARRHLEAKG FPLDEFLAEW SELSEFGEAF DATA SEQUENCE EGFNIKLTVT SESLAELNKP VPPKPPNVNR PVNTGGLKAV SNALKTGRYR DATA SEQUENCE NEAGLSGLVL LATARSRLQD AVKAKAEAEK LHKSKPXXXD ADWFERSETL DATA SEQUENCE SDLLEKADIA SKVAHSALVE TSDALEAV 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.306 176.300 0.010 0.000 2.045 27 D CA 0.000 54.005 54.000 0.009 0.000 0.868 27 D CB 0.000 40.805 40.800 0.008 0.000 0.688 28 V N 1.201 121.121 119.914 0.010 0.000 2.656 28 V HA 0.360 4.480 4.120 -0.000 0.000 0.307 28 V C -0.659 175.442 176.094 0.012 0.000 1.051 28 V CA -0.702 61.605 62.300 0.012 0.000 0.893 28 V CB 2.000 33.830 31.823 0.012 0.000 0.999 28 V HN 0.396 nan 8.190 nan 0.000 0.426 29 E N 3.794 124.002 120.200 0.014 0.000 2.194 29 E HA 0.283 4.633 4.350 -0.000 0.000 0.284 29 E C -0.897 175.713 176.600 0.015 0.000 1.035 29 E CA -0.428 55.981 56.400 0.014 0.000 0.836 29 E CB 0.852 30.561 29.700 0.016 0.000 1.070 29 E HN 0.519 nan 8.360 nan 0.000 0.401 30 E N 4.078 124.286 120.200 0.014 0.000 2.183 30 E HA 0.434 4.783 4.350 -0.000 0.000 0.271 30 E C -0.707 175.902 176.600 0.014 0.000 0.919 30 E CA -0.741 55.667 56.400 0.013 0.000 0.781 30 E CB 1.664 31.369 29.700 0.010 0.000 1.140 30 E HN 0.530 nan 8.360 nan 0.000 0.402 31 L N 2.752 123.984 121.223 0.015 0.000 2.370 31 L HA 0.326 4.666 4.340 -0.000 0.000 0.266 31 L C 1.267 178.146 176.870 0.014 0.000 1.002 31 L CA -0.709 54.140 54.840 0.016 0.000 0.818 31 L CB 1.860 43.931 42.059 0.020 0.000 1.325 31 L HN 0.404 nan 8.230 nan 0.000 0.418 32 L N 2.300 123.533 121.223 0.016 0.000 2.093 32 L HA 0.101 4.441 4.340 -0.000 0.000 0.208 32 L C 0.313 177.192 176.870 0.014 0.000 1.085 32 L CA 1.669 56.518 54.840 0.015 0.000 0.755 32 L CB 0.248 42.320 42.059 0.022 0.000 0.904 32 L HN 0.336 nan 8.230 nan 0.000 0.435 33 I N 0.895 121.475 120.570 0.017 0.000 2.382 33 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 33 I C -2.120 174.010 176.117 0.022 0.000 1.007 33 I CA -2.579 58.731 61.300 0.017 0.000 1.142 33 I CB 0.468 38.479 38.000 0.018 0.000 1.289 33 I HN -0.026 nan 8.210 nan 0.000 0.453 34 P HA 0.018 nan 4.420 nan 0.000 0.266 34 P C 0.081 177.411 177.300 0.051 0.000 1.193 34 P CA -0.047 63.075 63.100 0.036 0.000 0.770 34 P CB 0.795 32.518 31.700 0.039 0.000 0.836 35 K N 1.861 122.297 120.400 0.060 0.000 2.319 35 K HA 0.122 4.442 4.320 -0.000 0.000 0.265 35 K C -0.512 176.149 176.600 0.100 0.000 1.000 35 K CA -0.531 55.796 56.287 0.067 0.000 0.943 35 K CB 0.358 32.895 32.500 0.062 0.000 0.950 35 K HN 0.130 nan 8.250 nan 0.000 0.485 36 V N 4.301 124.269 119.914 0.090 0.000 2.557 36 V HA -0.137 3.983 4.120 -0.000 0.000 0.301 36 V C 0.111 176.302 176.094 0.162 0.000 1.026 36 V CA 0.117 62.487 62.300 0.116 0.000 1.137 36 V CB -0.399 31.465 31.823 0.068 0.000 0.917 36 V HN 0.702 nan 8.190 nan 0.000 0.484 37 W N 5.883 127.174 121.300 -0.014 0.000 2.238 37 W HA 0.457 5.117 4.660 -0.000 0.000 0.321 37 W C -0.326 176.146 176.519 -0.078 0.000 1.293 37 W CA -0.556 56.758 57.345 -0.052 0.000 1.204 37 W CB 0.784 30.196 29.460 -0.080 0.000 1.167 37 W HN 0.353 nan 8.180 nan 0.000 0.553 38 V N 9.518 129.096 119.914 -0.559 0.000 2.333 38 V HA 0.231 4.351 4.120 -0.000 0.000 0.274 38 V C -1.744 173.583 176.094 -1.278 0.000 1.028 38 V CA -1.945 59.955 62.300 -0.667 0.000 0.851 38 V CB 0.853 32.469 31.823 -0.345 0.000 1.000 38 V HN 0.446 nan 8.190 nan 0.000 0.456 39 P HA 0.200 nan 4.420 nan 0.000 0.269 39 P C -2.490 174.403 177.300 -0.679 0.000 1.215 39 P CA -1.002 61.166 63.100 -1.553 0.000 0.780 39 P CB -0.087 30.998 31.700 -1.026 0.000 0.898 40 P HA 0.094 nan 4.420 nan 0.000 0.274 40 P C -0.229 177.032 177.300 -0.065 0.000 1.237 40 P CA -0.166 62.852 63.100 -0.137 0.000 0.793 40 P CB 0.561 32.267 31.700 0.010 0.000 0.977 41 E N 0.622 120.790 120.200 -0.053 0.000 2.414 41 E HA -0.039 4.311 4.350 -0.000 0.000 0.263 41 E C -0.143 176.447 176.600 -0.017 0.000 1.000 41 E CA -0.175 56.205 56.400 -0.034 0.000 0.914 41 E CB 0.178 29.857 29.700 -0.035 0.000 0.948 41 E HN 0.291 nan 8.360 nan 0.000 0.444 42 D N 5.414 125.802 120.400 -0.020 0.000 2.344 42 D HA 0.066 4.706 4.640 -0.000 0.000 0.253 42 D C -1.842 174.431 176.300 -0.046 0.000 1.255 42 D CA -1.943 52.031 54.000 -0.043 0.000 0.894 42 D CB 1.166 41.936 40.800 -0.050 0.000 1.067 42 D HN 0.250 nan 8.370 nan 0.000 0.492 43 P HA 0.096 nan 4.420 nan 0.000 0.245 43 P C 0.599 177.844 177.300 -0.093 0.000 1.212 43 P CA 0.347 63.408 63.100 -0.066 0.000 0.774 43 P CB 0.336 31.999 31.700 -0.062 0.000 0.999 44 L N -0.994 120.158 121.223 -0.119 0.000 3.218 44 L HA 0.383 4.723 4.340 -0.000 0.000 0.279 44 L C 0.900 177.665 176.870 -0.175 0.000 1.287 44 L CA -0.260 54.486 54.840 -0.157 0.000 1.024 44 L CB 0.180 42.094 42.059 -0.241 0.000 1.409 44 L HN -0.129 nan 8.230 nan 0.000 0.580 45 A N -0.429 122.330 122.820 -0.103 0.000 2.416 45 A HA 0.313 4.633 4.320 -0.000 0.000 0.252 45 A C 0.576 178.051 177.584 -0.183 0.000 1.353 45 A CA 0.350 52.323 52.037 -0.107 0.000 0.996 45 A CB -0.104 18.945 19.000 0.083 0.000 0.961 45 A HN 0.257 nan 8.150 nan 0.000 0.523 46 S N -1.167 114.402 115.700 -0.219 0.000 2.536 46 S HA 0.553 5.023 4.470 -0.000 0.000 0.271 46 S C -2.429 172.090 174.600 -0.135 0.000 1.134 46 S CA -1.037 57.083 58.200 -0.132 0.000 0.897 46 S CB 1.601 64.756 63.200 -0.075 0.000 1.094 46 S HN 0.023 nan 8.310 nan 0.000 0.473 47 P HA -0.109 nan 4.420 nan 0.000 0.216 47 P C 1.592 178.864 177.300 -0.046 0.000 1.150 47 P CA 1.513 64.577 63.100 -0.060 0.000 0.837 47 P CB -0.030 31.670 31.700 0.001 0.000 0.786 48 S N -0.360 115.320 115.700 -0.033 0.000 2.382 48 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 48 S C 2.021 176.612 174.600 -0.015 0.000 1.027 48 S CA 0.919 59.106 58.200 -0.021 0.000 0.991 48 S CB -0.930 62.259 63.200 -0.017 0.000 0.823 48 S HN 0.087 nan 8.310 nan 0.000 0.469 49 R N 0.134 120.616 120.500 -0.030 0.000 2.073 49 R HA 0.166 4.506 4.340 -0.000 0.000 0.229 49 R C 2.377 178.676 176.300 -0.001 0.000 1.120 49 R CA 1.027 57.116 56.100 -0.017 0.000 0.967 49 R CB -0.621 29.653 30.300 -0.045 0.000 0.862 49 R HN 0.364 nan 8.270 nan 0.000 0.436 50 L N 1.091 122.283 121.223 -0.052 0.000 2.017 50 L HA -0.099 4.240 4.340 -0.000 0.000 0.208 50 L C 2.250 179.149 176.870 0.049 0.000 1.073 50 L CA 2.018 56.837 54.840 -0.035 0.000 0.745 50 L CB -0.889 41.096 42.059 -0.123 0.000 0.894 50 L HN 0.128 nan 8.230 nan 0.000 0.432 51 A N -0.535 122.298 122.820 0.020 0.000 1.908 51 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 51 A C 2.476 180.096 177.584 0.060 0.000 1.181 51 A CA 2.190 54.249 52.037 0.037 0.000 0.627 51 A CB -0.728 18.279 19.000 0.012 0.000 0.818 51 A HN 0.535 nan 8.150 nan 0.000 0.445 52 K N -1.626 118.811 120.400 0.060 0.000 2.063 52 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 52 K C 1.824 178.481 176.600 0.095 0.000 1.048 52 K CA 1.873 58.198 56.287 0.064 0.000 0.928 52 K CB -0.324 32.211 32.500 0.058 0.000 0.713 52 K HN 0.464 nan 8.250 nan 0.000 0.442 53 F N 1.291 121.226 119.950 -0.024 0.000 2.163 53 F HA -0.063 4.464 4.527 -0.000 0.000 0.297 53 F C 1.640 177.431 175.800 -0.014 0.000 1.094 53 F CA 1.000 58.985 58.000 -0.025 0.000 1.290 53 F CB 0.018 38.992 39.000 -0.043 0.000 1.017 53 F HN -0.057 nan 8.300 nan 0.000 0.483 54 L N 0.109 121.402 121.223 0.118 0.000 2.027 54 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 54 L C 2.615 179.509 176.870 0.040 0.000 1.074 54 L CA 1.322 56.193 54.840 0.051 0.000 0.745 54 L CB -0.752 41.366 42.059 0.097 0.000 0.898 54 L HN -0.006 nan 8.230 nan 0.000 0.433 55 R N 0.072 120.596 120.500 0.040 0.000 2.096 55 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 55 R C 2.185 178.468 176.300 -0.028 0.000 1.127 55 R CA 1.420 57.535 56.100 0.026 0.000 0.968 55 R CB -0.360 29.955 30.300 0.024 0.000 0.861 55 R HN 0.409 nan 8.270 nan 0.000 0.440 56 E N 0.716 120.868 120.200 -0.080 0.000 2.097 56 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 56 E C 1.011 177.511 176.600 -0.167 0.000 1.000 56 E CA 1.082 57.406 56.400 -0.128 0.000 0.804 56 E CB 0.095 29.688 29.700 -0.180 0.000 0.740 56 E HN 0.311 nan 8.360 nan 0.000 0.454 57 N N -0.551 118.011 118.700 -0.230 0.000 2.314 57 N HA 0.033 4.773 4.740 -0.000 0.000 0.200 57 N C 0.300 175.770 175.510 -0.067 0.000 1.135 57 N CA 0.748 53.681 53.050 -0.195 0.000 0.835 57 N CB 1.205 39.502 38.487 -0.317 0.000 0.989 57 N HN 0.218 nan 8.380 nan 0.000 0.478 58 G N 1.477 110.261 108.800 -0.028 0.000 2.305 58 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.287 58 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.287 58 G C -0.364 174.574 174.900 0.064 0.000 1.036 58 G CA 0.143 45.249 45.100 0.011 0.000 0.887 58 G HN 0.536 nan 8.290 nan 0.000 0.505 59 Y N 0.189 120.487 120.300 -0.003 0.000 2.327 59 Y HA 0.485 5.035 4.550 -0.000 0.000 0.336 59 Y C 0.856 176.838 175.900 0.135 0.000 1.035 59 Y CA -0.726 57.427 58.100 0.089 0.000 1.165 59 Y CB 0.770 39.277 38.460 0.078 0.000 1.181 59 Y HN 0.190 nan 8.280 nan 0.000 0.494 60 K N 4.821 125.283 120.400 0.103 0.000 2.379 60 K HA 0.351 4.671 4.320 -0.000 0.000 0.284 60 K C -1.503 175.205 176.600 0.180 0.000 1.044 60 K CA -0.292 56.053 56.287 0.097 0.000 0.974 60 K CB 0.380 32.870 32.500 -0.016 0.000 0.962 60 K HN 0.523 nan 8.250 nan 0.000 0.474 61 V N 6.380 126.376 119.914 0.137 0.000 2.370 61 V HA 0.244 4.364 4.120 -0.000 0.000 0.283 61 V C -0.159 175.965 176.094 0.049 0.000 1.023 61 V CA -0.994 61.374 62.300 0.115 0.000 0.857 61 V CB 1.134 33.012 31.823 0.093 0.000 0.985 61 V HN 0.664 nan 8.190 nan 0.000 0.443 62 L N 3.406 124.651 121.223 0.037 0.000 2.436 62 L HA 0.302 4.642 4.340 -0.000 0.000 0.265 62 L C 0.742 177.593 176.870 -0.032 0.000 1.168 62 L CA 0.469 55.307 54.840 -0.004 0.000 0.815 62 L CB 0.317 42.372 42.059 -0.007 0.000 1.109 62 L HN 0.628 nan 8.230 nan 0.000 0.462 63 Q N 4.226 123.996 119.800 -0.049 0.000 2.255 63 Q HA 0.100 4.440 4.340 -0.000 0.000 0.280 63 Q C -2.065 173.873 176.000 -0.103 0.000 1.068 63 Q CA -1.520 54.242 55.803 -0.068 0.000 0.911 63 Q CB 0.589 29.292 28.738 -0.058 0.000 1.157 63 Q HN 0.294 nan 8.270 nan 0.000 0.380 64 P HA 0.059 nan 4.420 nan 0.000 0.267 64 P C -1.021 176.249 177.300 -0.050 0.000 1.205 64 P CA 0.091 63.128 63.100 -0.104 0.000 0.765 64 P CB 0.674 32.260 31.700 -0.191 0.000 0.828 65 R N 1.486 121.767 120.500 -0.366 0.000 2.457 65 R HA 0.508 4.848 4.340 -0.000 0.000 0.284 65 R C 0.902 176.994 176.300 -0.346 0.000 1.024 65 R CA -0.373 55.348 56.100 -0.632 0.000 1.025 65 R CB 0.629 29.870 30.300 -1.766 0.000 1.063 65 R HN 0.537 nan 8.270 nan 0.000 0.493 66 S N 1.125 116.640 115.700 -0.309 0.000 2.767 66 S HA 0.750 5.220 4.470 -0.000 0.000 0.300 66 S C -0.903 173.662 174.600 -0.059 0.000 1.123 66 S CA -0.789 57.144 58.200 -0.446 0.000 0.992 66 S CB 1.117 63.709 63.200 -1.014 0.000 1.138 66 S HN 0.287 nan 8.310 nan 0.000 0.550 67 L N 0.809 121.837 121.223 -0.326 0.000 2.464 67 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 67 L C -2.963 173.716 176.870 -0.319 0.000 0.965 67 L CA -2.001 52.636 54.840 -0.339 0.000 0.833 67 L CB 1.966 43.617 42.059 -0.680 0.000 1.296 67 L HN 0.481 nan 8.230 nan 0.000 0.405 68 P HA 0.131 nan 4.420 nan 0.000 0.268 68 P C -0.823 176.528 177.300 0.084 0.000 1.204 68 P CA -0.099 62.977 63.100 -0.041 0.000 0.768 68 P CB 0.447 32.110 31.700 -0.061 0.000 0.842 69 E N 2.304 122.605 120.200 0.168 0.000 2.442 69 E HA -0.003 4.347 4.350 -0.000 0.000 0.262 69 E C 0.210 176.845 176.600 0.058 0.000 1.004 69 E CA 0.080 56.571 56.400 0.152 0.000 0.928 69 E CB 0.169 29.899 29.700 0.050 0.000 0.937 69 E HN 0.386 nan 8.360 nan 0.000 0.446 70 N N 3.157 121.872 118.700 0.025 0.000 2.513 70 N HA 0.056 4.796 4.740 -0.000 0.000 0.268 70 N C -0.595 174.944 175.510 0.048 0.000 1.180 70 N CA 0.442 53.515 53.050 0.038 0.000 0.948 70 N CB 0.982 39.512 38.487 0.072 0.000 1.083 70 N HN 0.468 nan 8.380 nan 0.000 0.455 71 E N 0.750 120.994 120.200 0.074 0.000 2.331 71 E HA 0.140 4.490 4.350 -0.000 0.000 0.275 71 E C -1.091 175.580 176.600 0.117 0.000 0.895 71 E CA -0.675 55.774 56.400 0.081 0.000 0.753 71 E CB 1.394 31.144 29.700 0.084 0.000 1.216 71 E HN 0.273 nan 8.360 nan 0.000 0.434 72 E N 2.104 122.360 120.200 0.094 0.000 2.376 72 E HA 0.096 4.446 4.350 -0.000 0.000 0.266 72 E C -1.168 175.520 176.600 0.146 0.000 1.009 72 E CA 0.540 56.995 56.400 0.093 0.000 0.902 72 E CB 0.547 30.268 29.700 0.036 0.000 0.972 72 E HN 0.389 nan 8.360 nan 0.000 0.439 73 Y N -0.443 119.864 120.300 0.011 0.000 2.513 73 Y HA 0.274 4.824 4.550 -0.000 0.000 0.340 73 Y C 0.054 175.957 175.900 0.005 0.000 1.055 73 Y CA -0.481 57.625 58.100 0.011 0.000 1.020 73 Y CB 1.342 39.814 38.460 0.019 0.000 1.301 73 Y HN 0.491 nan 8.280 nan 0.000 0.453 74 E N 1.577 121.725 120.200 -0.087 0.000 2.351 74 E HA 0.182 4.532 4.350 -0.000 0.000 0.266 74 E C 0.707 177.372 176.600 0.107 0.000 1.031 74 E CA 0.444 56.838 56.400 -0.011 0.000 0.911 74 E CB 0.294 29.938 29.700 -0.092 0.000 0.986 74 E HN 0.779 nan 8.360 nan 0.000 0.446 75 T N 2.501 117.094 114.554 0.064 0.000 2.699 75 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 75 T C 0.968 175.698 174.700 0.050 0.000 1.036 75 T CA 1.539 63.671 62.100 0.054 0.000 1.147 75 T CB -0.071 68.801 68.868 0.006 0.000 0.862 75 T HN 0.684 nan 8.240 nan 0.000 0.446 76 D N 0.474 120.895 120.400 0.034 0.000 2.378 76 D HA -0.032 4.607 4.640 -0.000 0.000 0.222 76 D C 2.054 178.390 176.300 0.060 0.000 0.980 76 D CA 0.635 54.654 54.000 0.032 0.000 0.907 76 D CB -0.176 40.635 40.800 0.019 0.000 0.899 76 D HN 0.397 nan 8.370 nan 0.000 0.527 77 Q N -0.388 119.471 119.800 0.098 0.000 2.391 77 Q HA 0.085 4.424 4.340 -0.000 0.000 0.211 77 Q C 1.416 177.502 176.000 0.142 0.000 0.908 77 Q CA 0.545 56.432 55.803 0.141 0.000 0.920 77 Q CB 0.368 29.234 28.738 0.214 0.000 1.056 77 Q HN 0.101 nan 8.270 nan 0.000 0.523 78 I N -0.482 120.161 120.570 0.123 0.000 3.339 78 I HA 0.115 4.284 4.170 -0.000 0.000 0.285 78 I C 0.222 176.365 176.117 0.044 0.000 1.201 78 I CA 0.549 61.887 61.300 0.064 0.000 1.434 78 I CB 0.166 38.193 38.000 0.045 0.000 1.152 78 I HN 0.101 nan 8.210 nan 0.000 0.443 79 L N 2.236 123.484 121.223 0.042 0.000 2.556 79 L HA 0.271 4.611 4.340 -0.000 0.000 0.243 79 L C -1.778 175.110 176.870 0.031 0.000 1.331 79 L CA -0.946 53.910 54.840 0.027 0.000 0.927 79 L CB 1.090 43.149 42.059 0.000 0.000 1.219 79 L HN -0.115 nan 8.230 nan 0.000 0.490 80 P HA -0.050 nan 4.420 nan 0.000 0.222 80 P C 0.432 177.788 177.300 0.094 0.000 1.153 80 P CA 0.891 64.029 63.100 0.064 0.000 0.798 80 P CB 0.297 32.037 31.700 0.067 0.000 0.796 81 D N -1.149 119.317 120.400 0.110 0.000 2.324 81 D HA 0.097 4.737 4.640 -0.000 0.000 0.235 81 D C 0.811 177.261 176.300 0.250 0.000 1.095 81 D CA 0.541 54.655 54.000 0.190 0.000 0.871 81 D CB -0.337 40.560 40.800 0.162 0.000 0.906 81 D HN 0.182 nan 8.370 nan 0.000 0.522 82 L N -0.568 120.681 121.223 0.044 0.000 3.333 82 L HA 0.377 4.717 4.340 -0.000 0.000 0.299 82 L C 1.627 178.255 176.870 -0.405 0.000 1.256 82 L CA -0.113 54.551 54.840 -0.293 0.000 1.037 82 L CB 0.591 42.509 42.059 -0.235 0.000 1.423 82 L HN -0.037 nan 8.230 nan 0.000 0.605 83 A N 0.841 123.583 122.820 -0.129 0.000 2.119 83 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 83 A C 1.955 179.516 177.584 -0.040 0.000 1.153 83 A CA 0.720 52.717 52.037 -0.067 0.000 0.692 83 A CB -0.466 18.555 19.000 0.034 0.000 0.799 83 A HN 0.725 nan 8.150 nan 0.000 0.458 84 W N 0.293 121.601 121.300 0.013 0.000 2.402 84 W HA -0.121 4.539 4.660 -0.000 0.000 0.286 84 W C 1.513 178.036 176.519 0.007 0.000 1.221 84 W CA 1.224 58.575 57.345 0.010 0.000 1.257 84 W CB -1.062 28.405 29.460 0.012 0.000 1.120 84 W HN 0.462 nan 8.180 nan 0.000 0.551 85 M N 0.229 119.458 119.600 -0.617 0.000 2.563 85 M HA 0.389 4.869 4.480 -0.000 0.000 0.231 85 M C 2.173 178.321 176.300 -0.254 0.000 1.136 85 M CA 1.337 56.318 55.300 -0.532 0.000 1.026 85 M CB -0.622 31.350 32.600 -1.047 0.000 1.597 85 M HN -0.091 nan 8.290 nan 0.000 0.495 86 R N 0.784 121.180 120.500 -0.174 0.000 2.087 86 R HA 0.194 4.534 4.340 -0.000 0.000 0.216 86 R C 2.057 178.333 176.300 -0.040 0.000 1.114 86 R CA 1.595 57.635 56.100 -0.099 0.000 1.002 86 R CB -1.700 28.549 30.300 -0.085 0.000 0.903 86 R HN 0.666 nan 8.270 nan 0.000 0.445 87 Q N -0.164 119.632 119.800 -0.006 0.000 2.378 87 Q HA 0.621 4.961 4.340 -0.000 0.000 0.205 87 Q C 1.241 177.262 176.000 0.034 0.000 0.954 87 Q CA 1.532 57.346 55.803 0.019 0.000 0.901 87 Q CB -0.647 28.113 28.738 0.037 0.000 0.981 87 Q HN 1.264 nan 8.270 nan 0.000 0.483 93 L N -1.377 119.795 121.223 -0.084 0.000 2.775 93 L HA 1.042 5.382 4.340 -0.000 0.000 0.263 93 L C 0.026 176.859 176.870 -0.062 0.000 1.017 93 L CA -0.226 54.571 54.840 -0.073 0.000 0.891 93 L CB 0.661 42.671 42.059 -0.082 0.000 1.482 93 L HN 1.538 nan 8.230 nan 0.000 0.410 94 K N 1.225 121.593 120.400 -0.053 0.000 2.485 94 K HA 0.363 4.683 4.320 -0.000 0.000 0.271 94 K C -1.255 175.321 176.600 -0.040 0.000 0.967 94 K CA 0.836 57.098 56.287 -0.042 0.000 0.915 94 K CB -1.024 31.452 32.500 -0.040 0.000 0.930 94 K HN 1.046 nan 8.250 nan 0.000 0.527 95 P HA 0.064 nan 4.420 nan 0.000 0.252 95 P C 0.172 177.465 177.300 -0.013 0.000 1.211 95 P CA 0.869 63.954 63.100 -0.025 0.000 0.824 95 P CB 0.212 31.898 31.700 -0.023 0.000 1.077 96 T N -1.374 113.174 114.554 -0.009 0.000 2.856 96 T HA 0.656 5.006 4.350 -0.000 0.000 0.283 96 T C -0.360 174.349 174.700 0.016 0.000 1.008 96 T CA -0.780 61.325 62.100 0.010 0.000 0.997 96 T CB 1.537 70.407 68.868 0.002 0.000 0.992 96 T HN -0.182 nan 8.240 nan 0.000 0.454 97 L N 1.971 123.226 121.223 0.053 0.000 2.334 97 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 97 L C 0.466 177.381 176.870 0.075 0.000 1.014 97 L CA -1.082 53.783 54.840 0.042 0.000 0.815 97 L CB 2.102 44.191 42.059 0.050 0.000 1.268 97 L HN 0.735 nan 8.230 nan 0.000 0.428 98 S N 3.503 119.232 115.700 0.049 0.000 2.411 98 S HA 0.605 5.075 4.470 -0.000 0.000 0.294 98 S C -0.552 174.175 174.600 0.212 0.000 1.115 98 S CA -0.525 57.745 58.200 0.115 0.000 1.071 98 S CB -0.145 63.117 63.200 0.103 0.000 0.967 98 S HN 0.360 nan 8.310 nan 0.000 0.488 99 L N 6.584 127.906 121.223 0.165 0.000 2.346 99 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 99 L C -2.105 174.798 176.870 0.053 0.000 1.007 99 L CA -2.544 52.375 54.840 0.131 0.000 0.818 99 L CB 2.274 44.363 42.059 0.051 0.000 1.284 99 L HN 0.430 nan 8.230 nan 0.000 0.424 100 P HA 0.119 nan 4.420 nan 0.000 0.237 100 P C 0.307 177.563 177.300 -0.073 0.000 1.788 100 P CA 0.260 63.293 63.100 -0.111 0.000 1.061 100 P CB -0.325 31.196 31.700 -0.298 0.000 1.967 101 I N -2.643 117.910 120.570 -0.028 0.000 4.442 101 I HA 0.402 4.572 4.170 -0.000 0.000 0.331 101 I C 0.758 176.875 176.117 -0.001 0.000 1.364 101 I CA -0.560 60.724 61.300 -0.025 0.000 1.207 101 I CB 0.438 38.416 38.000 -0.037 0.000 1.298 101 I HN -0.077 nan 8.210 nan 0.000 0.463 102 G N 1.248 110.055 108.800 0.013 0.000 2.690 102 G HA2 0.014 3.973 3.960 -0.000 0.000 0.239 102 G HA3 0.014 3.973 3.960 -0.000 0.000 0.239 102 G C 0.012 174.922 174.900 0.015 0.000 1.233 102 G CA 0.247 45.362 45.100 0.024 0.000 0.847 102 G HN 0.193 nan 8.290 nan 0.000 0.588 103 D N -0.347 120.064 120.400 0.019 0.000 2.137 103 D HA -0.012 4.628 4.640 -0.000 0.000 0.202 103 D C 1.331 177.637 176.300 0.010 0.000 0.970 103 D CA 1.000 55.008 54.000 0.012 0.000 0.837 103 D CB 0.083 40.892 40.800 0.015 0.000 0.981 103 D HN 0.450 nan 8.370 nan 0.000 0.475 104 Q N 1.095 120.905 119.800 0.018 0.000 2.261 104 Q HA 0.246 4.586 4.340 -0.000 0.000 0.252 104 Q C -0.069 175.953 176.000 0.037 0.000 0.915 104 Q CA -0.030 55.786 55.803 0.021 0.000 0.915 104 Q CB 1.628 30.381 28.738 0.025 0.000 1.204 104 Q HN 0.196 nan 8.270 nan 0.000 0.421 105 E N 1.787 121.992 120.200 0.008 0.000 2.232 105 E HA 0.397 4.747 4.350 -0.000 0.000 0.265 105 E C -1.089 175.522 176.600 0.019 0.000 1.001 105 E CA -0.579 55.804 56.400 -0.027 0.000 0.870 105 E CB 1.296 30.905 29.700 -0.152 0.000 1.175 105 E HN 0.457 nan 8.360 nan 0.000 0.407 106 Y N -1.727 118.452 120.300 -0.202 0.000 2.615 106 Y HA 0.564 5.114 4.550 -0.000 0.000 0.341 106 Y C -1.456 174.279 175.900 -0.275 0.000 1.089 106 Y CA -1.618 56.374 58.100 -0.180 0.000 1.049 106 Y CB 0.588 39.025 38.460 -0.038 0.000 1.296 106 Y HN 0.263 nan 8.280 nan 0.000 0.470 107 F N 3.922 123.924 119.950 0.086 0.000 2.405 107 F HA 0.549 5.076 4.527 -0.000 0.000 0.355 107 F C -2.076 173.827 175.800 0.171 0.000 1.121 107 F CA -2.225 55.794 58.000 0.032 0.000 1.112 107 F CB 0.986 40.022 39.000 0.060 0.000 1.126 107 F HN 0.297 nan 8.300 nan 0.000 0.481 108 P HA 0.230 nan 4.420 nan 0.000 0.274 108 P C -1.279 176.210 177.300 0.315 0.000 1.231 108 P CA -0.553 62.753 63.100 0.343 0.000 0.790 108 P CB 1.175 32.993 31.700 0.197 0.000 0.951 109 K N 1.328 121.916 120.400 0.313 0.000 2.378 109 K HA 0.416 4.735 4.320 -0.000 0.000 0.252 109 K C -1.362 175.410 176.600 0.287 0.000 0.931 109 K CA -0.643 55.809 56.287 0.276 0.000 0.794 109 K CB 1.918 34.648 32.500 0.382 0.000 1.181 109 K HN 0.405 nan 8.250 nan 0.000 0.425 110 Y N 2.598 122.882 120.300 -0.026 0.000 2.332 110 Y HA 0.335 4.885 4.550 -0.000 0.000 0.326 110 Y C -1.865 173.925 175.900 -0.183 0.000 0.978 110 Y CA -1.057 57.028 58.100 -0.025 0.000 1.205 110 Y CB 0.787 39.238 38.460 -0.016 0.000 1.131 110 Y HN 0.532 nan 8.280 nan 0.000 0.462 111 Y N 7.814 127.909 120.300 -0.342 0.000 2.712 111 Y HA 0.420 4.970 4.550 -0.000 0.000 0.328 111 Y C -2.066 173.531 175.900 -0.505 0.000 0.995 111 Y CA -2.269 55.647 58.100 -0.307 0.000 1.283 111 Y CB 0.713 39.130 38.460 -0.073 0.000 1.092 111 Y HN 0.510 nan 8.280 nan 0.000 0.519 112 P HA 0.136 nan 4.420 nan 0.000 0.272 112 P C -0.511 176.463 177.300 -0.544 0.000 1.223 112 P CA -0.317 62.346 63.100 -0.728 0.000 0.784 112 P CB 1.243 32.386 31.700 -0.929 0.000 0.923 113 T N 1.819 116.107 114.554 -0.443 0.000 2.743 113 T HA 0.241 4.591 4.350 -0.000 0.000 0.292 113 T C -0.239 174.244 174.700 -0.362 0.000 0.972 113 T CA -0.283 61.643 62.100 -0.289 0.000 0.967 113 T CB -0.271 68.521 68.868 -0.126 0.000 0.926 113 T HN 0.326 nan 8.240 nan 0.000 0.459 114 H N 2.638 121.602 119.070 -0.178 0.000 2.668 114 H HA 0.511 5.067 4.556 -0.000 0.000 0.303 114 H C 0.376 175.704 175.328 0.001 0.000 1.074 114 H CA -0.232 55.727 56.048 -0.148 0.000 1.406 114 H CB 0.634 30.261 29.762 -0.225 0.000 1.442 114 H HN 0.328 nan 8.280 nan 0.000 0.482 115 R N 4.243 124.855 120.500 0.186 0.000 2.686 115 R HA 0.333 4.673 4.340 -0.000 0.000 0.286 115 R C -2.580 173.996 176.300 0.461 0.000 0.969 115 R CA -2.009 54.240 56.100 0.248 0.000 0.898 115 R CB 1.844 32.252 30.300 0.180 0.000 1.183 115 R HN 0.462 nan 8.270 nan 0.000 0.456 116 P HA 0.170 nan 4.420 nan 0.000 0.279 116 P C -0.849 176.572 177.300 0.202 0.000 1.282 116 P CA -0.373 62.851 63.100 0.206 0.000 0.788 116 P CB 0.991 32.763 31.700 0.121 0.000 1.139 117 S N -2.583 113.149 115.700 0.052 0.000 2.671 117 S HA 0.321 4.791 4.470 -0.000 0.000 0.277 117 S C 0.951 175.491 174.600 -0.101 0.000 1.165 117 S CA -0.797 57.413 58.200 0.017 0.000 0.822 117 S CB 1.677 64.908 63.200 0.052 0.000 1.150 117 S HN 0.486 nan 8.310 nan 0.000 0.479 118 K N 0.713 121.041 120.400 -0.121 0.000 2.044 118 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 118 K C 1.762 178.300 176.600 -0.103 0.000 1.049 118 K CA 2.054 58.249 56.287 -0.152 0.000 0.927 118 K CB -0.390 32.035 32.500 -0.124 0.000 0.713 118 K HN 0.740 nan 8.250 nan 0.000 0.443 119 E N 0.092 120.254 120.200 -0.063 0.000 2.110 119 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 119 E C 0.091 176.663 176.600 -0.046 0.000 0.988 119 E CA 0.982 57.354 56.400 -0.046 0.000 0.804 119 E CB 0.309 29.992 29.700 -0.028 0.000 0.745 119 E HN 0.007 nan 8.360 nan 0.000 0.458 120 K N -0.287 120.086 120.400 -0.045 0.000 2.827 120 K HA 0.152 4.472 4.320 -0.000 0.000 0.186 120 K C -2.337 174.234 176.600 -0.047 0.000 1.093 120 K CA -1.175 55.087 56.287 -0.041 0.000 0.993 120 K CB 1.443 33.926 32.500 -0.028 0.000 1.199 120 K HN -0.074 nan 8.250 nan 0.000 0.598 121 P HA 0.065 nan 4.420 nan 0.000 0.251 121 P C -0.316 176.971 177.300 -0.022 0.000 1.223 121 P CA 0.308 63.365 63.100 -0.071 0.000 0.796 121 P CB 0.435 32.071 31.700 -0.106 0.000 1.068 122 N N 0.011 118.696 118.700 -0.025 0.000 2.279 122 N HA 0.164 4.904 4.740 -0.000 0.000 0.226 122 N C 1.337 176.816 175.510 -0.051 0.000 1.126 122 N CA 0.089 53.134 53.050 -0.009 0.000 0.846 122 N CB 0.274 38.752 38.487 -0.014 0.000 1.050 122 N HN 0.053 nan 8.380 nan 0.000 0.502 123 A N 0.353 123.107 122.820 -0.111 0.000 1.877 123 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 123 A C 0.115 177.409 177.584 -0.483 0.000 1.186 123 A CA 1.315 53.130 52.037 -0.369 0.000 0.620 123 A CB -0.267 18.450 19.000 -0.472 0.000 0.822 123 A HN 0.276 nan 8.150 nan 0.000 0.443 124 Y N 0.127 120.537 120.300 0.184 0.000 2.662 124 Y HA 0.336 4.885 4.550 -0.000 0.000 0.358 124 Y C -2.516 173.553 175.900 0.281 0.000 1.041 124 Y CA -3.369 54.880 58.100 0.248 0.000 1.184 124 Y CB 0.405 39.109 38.460 0.407 0.000 1.114 124 Y HN 0.183 nan 8.280 nan 0.000 0.650 125 P HA 0.150 nan 4.420 nan 0.000 0.272 125 P C -2.559 174.877 177.300 0.227 0.000 1.223 125 P CA -1.235 62.012 63.100 0.247 0.000 0.784 125 P CB 0.832 32.606 31.700 0.123 0.000 0.923 126 P HA 0.057 nan 4.420 nan 0.000 0.274 126 P C -0.243 176.961 177.300 -0.160 0.000 1.246 126 P CA -0.002 62.895 63.100 -0.338 0.000 0.795 126 P CB 0.488 31.909 31.700 -0.465 0.000 1.006 127 D N 1.757 122.044 120.400 -0.189 0.000 2.551 127 D HA 0.060 4.700 4.640 -0.000 0.000 0.223 127 D C 1.254 177.535 176.300 -0.031 0.000 1.144 127 D CA -0.269 53.695 54.000 -0.061 0.000 1.025 127 D CB -0.308 40.476 40.800 -0.027 0.000 1.085 127 D HN 0.031 nan 8.370 nan 0.000 0.506 128 I N 1.791 122.348 120.570 -0.021 0.000 2.394 128 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 128 I C 2.320 178.445 176.117 0.013 0.000 1.136 128 I CA 0.584 61.880 61.300 -0.007 0.000 1.425 128 I CB -1.214 36.785 38.000 -0.001 0.000 1.079 128 I HN 0.286 nan 8.210 nan 0.000 0.425 129 A N 0.738 123.576 122.820 0.030 0.000 1.908 129 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 129 A C 2.333 179.935 177.584 0.029 0.000 1.181 129 A CA 1.537 53.593 52.037 0.032 0.000 0.627 129 A CB -0.865 18.169 19.000 0.056 0.000 0.818 129 A HN 0.375 nan 8.150 nan 0.000 0.445 130 L N -0.797 120.470 121.223 0.073 0.000 2.017 130 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 130 L C 2.264 179.151 176.870 0.027 0.000 1.073 130 L CA 2.076 56.948 54.840 0.054 0.000 0.745 130 L CB -0.645 41.501 42.059 0.144 0.000 0.894 130 L HN 0.358 nan 8.230 nan 0.000 0.432 131 L N -0.176 121.062 121.223 0.025 0.000 2.012 131 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 131 L C 2.473 179.368 176.870 0.041 0.000 1.073 131 L CA 1.946 56.801 54.840 0.025 0.000 0.748 131 L CB -0.803 41.260 42.059 0.007 0.000 0.891 131 L HN 0.273 nan 8.230 nan 0.000 0.431 132 K N -1.063 119.358 120.400 0.036 0.000 2.057 132 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 132 K C 2.178 178.829 176.600 0.086 0.000 1.049 132 K CA 1.616 57.935 56.287 0.053 0.000 0.931 132 K CB -0.220 32.297 32.500 0.028 0.000 0.714 132 K HN 0.332 nan 8.250 nan 0.000 0.440 133 Q N 0.992 120.822 119.800 0.050 0.000 2.084 133 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 133 Q C 1.914 178.001 176.000 0.145 0.000 0.978 133 Q CA 1.703 57.549 55.803 0.071 0.000 0.844 133 Q CB -0.057 28.667 28.738 -0.024 0.000 0.898 133 Q HN 0.262 nan 8.270 nan 0.000 0.426 134 M N -0.875 118.786 119.600 0.100 0.000 2.117 134 M HA -0.121 4.358 4.480 -0.000 0.000 0.262 134 M C 1.979 178.372 176.300 0.155 0.000 1.065 134 M CA 1.279 56.649 55.300 0.116 0.000 1.114 134 M CB -0.238 32.413 32.600 0.086 0.000 1.361 134 M HN 0.234 nan 8.290 nan 0.000 0.408 135 I N -1.085 119.570 120.570 0.143 0.000 2.179 135 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 135 I C 2.473 178.717 176.117 0.212 0.000 1.088 135 I CA 1.485 62.887 61.300 0.169 0.000 1.357 135 I CB -0.603 37.470 38.000 0.123 0.000 1.051 135 I HN 0.222 nan 8.210 nan 0.000 0.409 136 Y N 1.737 122.086 120.300 0.081 0.000 2.102 136 Y HA -0.291 4.259 4.550 -0.000 0.000 0.280 136 Y C 2.264 178.200 175.900 0.060 0.000 1.178 136 Y CA 1.810 59.944 58.100 0.057 0.000 1.146 136 Y CB -0.348 38.128 38.460 0.027 0.000 0.968 136 Y HN 0.033 nan 8.280 nan 0.000 0.504 137 L N -1.452 119.803 121.223 0.054 0.000 2.156 137 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 137 L C 2.288 179.140 176.870 -0.030 0.000 1.095 137 L CA 1.134 55.950 54.840 -0.040 0.000 0.770 137 L CB -0.667 41.451 42.059 0.098 0.000 0.914 137 L HN 0.295 nan 8.230 nan 0.000 0.439 138 F N 0.676 120.591 119.950 -0.057 0.000 2.171 138 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 138 F C 2.073 177.826 175.800 -0.078 0.000 1.090 138 F CA 1.413 59.386 58.000 -0.044 0.000 1.293 138 F CB -0.104 38.891 39.000 -0.009 0.000 1.013 138 F HN -0.112 nan 8.300 nan 0.000 0.486 139 L N -0.112 121.008 121.223 -0.173 0.000 2.201 139 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 139 L C 2.294 178.971 176.870 -0.322 0.000 1.105 139 L CA 0.634 55.316 54.840 -0.264 0.000 0.775 139 L CB -0.663 41.325 42.059 -0.120 0.000 0.913 139 L HN 0.173 nan 8.230 nan 0.000 0.440 140 Q N -0.209 119.380 119.800 -0.352 0.000 2.311 140 Q HA 0.042 4.382 4.340 -0.000 0.000 0.203 140 Q C 0.709 176.568 176.000 -0.234 0.000 0.954 140 Q CA 0.406 56.026 55.803 -0.304 0.000 0.885 140 Q CB -0.342 28.189 28.738 -0.346 0.000 0.963 140 Q HN 0.255 nan 8.270 nan 0.000 0.471 141 V N 4.063 123.817 119.914 -0.266 0.000 2.450 141 V HA -0.012 4.108 4.120 -0.000 0.000 0.281 141 V C -1.343 174.607 176.094 -0.240 0.000 1.019 141 V CA -0.486 61.678 62.300 -0.227 0.000 1.062 141 V CB 0.587 32.275 31.823 -0.225 0.000 0.979 141 V HN 0.126 nan 8.190 nan 0.000 0.477 142 P HA -0.054 nan 4.420 nan 0.000 0.226 142 P C 0.296 177.519 177.300 -0.128 0.000 1.146 142 P CA 1.023 64.045 63.100 -0.131 0.000 0.773 142 P CB 0.375 32.022 31.700 -0.089 0.000 0.772 143 E N -4.028 116.085 120.200 -0.144 0.000 2.409 143 E HA 0.499 4.848 4.350 -0.000 0.000 0.280 143 E C -0.169 176.369 176.600 -0.105 0.000 1.079 143 E CA -0.276 56.057 56.400 -0.113 0.000 0.840 143 E CB 1.030 30.691 29.700 -0.064 0.000 1.309 143 E HN -0.070 nan 8.360 nan 0.000 0.447 144 A N 2.117 124.906 122.820 -0.052 0.000 5.468 144 A HA -0.387 3.933 4.320 -0.000 0.000 0.338 144 A C 0.258 177.889 177.584 0.079 0.000 1.722 144 A CA 1.821 53.867 52.037 0.015 0.000 0.740 144 A CB -1.589 17.419 19.000 0.015 0.000 1.424 144 A HN 1.174 nan 8.150 nan 0.000 0.408 145 N N -1.857 116.900 118.700 0.094 0.000 2.573 145 N HA -0.144 4.596 4.740 -0.000 0.000 0.275 145 N C 0.306 175.948 175.510 0.219 0.000 1.208 145 N CA 0.634 53.768 53.050 0.141 0.000 0.688 145 N CB -0.290 38.275 38.487 0.129 0.000 0.882 145 N HN 0.579 nan 8.380 nan 0.000 0.548 146 E N -0.015 120.260 120.200 0.124 0.000 2.338 146 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 146 E C 1.984 178.604 176.600 0.034 0.000 1.007 146 E CA 1.130 57.572 56.400 0.069 0.000 0.849 146 E CB -0.092 29.629 29.700 0.035 0.000 0.774 146 E HN 0.724 nan 8.360 nan 0.000 0.506 147 G N 0.810 109.644 108.800 0.057 0.000 2.421 147 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.217 147 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.217 147 G C 1.679 176.616 174.900 0.061 0.000 1.143 147 G CA 0.089 45.216 45.100 0.045 0.000 0.784 147 G HN 0.155 nan 8.290 nan 0.000 0.541 148 L N -0.196 121.094 121.223 0.111 0.000 2.095 148 L HA 0.085 4.425 4.340 -0.000 0.000 0.204 148 L C 2.775 179.654 176.870 0.014 0.000 1.080 148 L CA 0.859 55.787 54.840 0.147 0.000 0.759 148 L CB -0.260 41.976 42.059 0.295 0.000 0.914 148 L HN 0.136 nan 8.230 nan 0.000 0.439 149 K N 0.235 120.548 120.400 -0.146 0.000 2.147 149 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 149 K C 1.480 177.915 176.600 -0.274 0.000 1.049 149 K CA 1.349 57.319 56.287 -0.528 0.000 0.936 149 K CB 0.009 32.135 32.500 -0.623 0.000 0.722 149 K HN 0.259 nan 8.250 nan 0.000 0.446 150 D N 1.149 121.458 120.400 -0.150 0.000 2.190 150 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 150 D C 1.638 177.839 176.300 -0.164 0.000 0.992 150 D CA 1.093 55.008 54.000 -0.140 0.000 0.854 150 D CB -0.005 40.728 40.800 -0.112 0.000 0.936 150 D HN 0.395 nan 8.370 nan 0.000 0.462 151 E N 0.125 120.268 120.200 -0.094 0.000 2.085 151 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 151 E C 2.304 178.939 176.600 0.058 0.000 0.994 151 E CA 0.688 57.096 56.400 0.013 0.000 0.801 151 E CB 0.114 29.930 29.700 0.193 0.000 0.743 151 E HN 0.112 nan 8.360 nan 0.000 0.453 152 V N 1.100 120.992 119.914 -0.038 0.000 2.295 152 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 152 V C 2.341 178.398 176.094 -0.061 0.000 1.049 152 V CA 2.143 64.412 62.300 -0.052 0.000 1.024 152 V CB -0.761 30.964 31.823 -0.162 0.000 0.648 152 V HN 0.329 nan 8.190 nan 0.000 0.447 153 T N 0.467 114.953 114.554 -0.113 0.000 2.720 153 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 153 T C 1.871 176.520 174.700 -0.085 0.000 1.037 153 T CA 1.855 63.894 62.100 -0.101 0.000 1.144 153 T CB -0.340 68.457 68.868 -0.118 0.000 0.864 153 T HN 0.261 nan 8.240 nan 0.000 0.444 154 L N 0.643 121.789 121.223 -0.128 0.000 2.027 154 L HA 0.145 4.485 4.340 -0.000 0.000 0.206 154 L C 2.178 179.049 176.870 0.001 0.000 1.074 154 L CA 1.350 56.092 54.840 -0.163 0.000 0.745 154 L CB -0.889 40.883 42.059 -0.479 0.000 0.898 154 L HN 0.153 nan 8.230 nan 0.000 0.433 155 L N -0.920 120.386 121.223 0.139 0.000 2.012 155 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 155 L C 2.355 179.257 176.870 0.054 0.000 1.073 155 L CA 2.456 57.404 54.840 0.180 0.000 0.748 155 L CB -0.951 41.214 42.059 0.177 0.000 0.891 155 L HN 0.346 nan 8.230 nan 0.000 0.431 156 T N -1.351 113.214 114.554 0.019 0.000 2.720 156 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 156 T C 1.778 176.476 174.700 -0.004 0.000 1.037 156 T CA 1.636 63.733 62.100 -0.005 0.000 1.144 156 T CB -0.272 68.586 68.868 -0.017 0.000 0.864 156 T HN 0.344 nan 8.240 nan 0.000 0.444 157 Q N 1.289 121.084 119.800 -0.007 0.000 2.124 157 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 157 Q C 2.186 178.197 176.000 0.019 0.000 0.977 157 Q CA 1.367 57.166 55.803 -0.006 0.000 0.850 157 Q CB -0.286 28.438 28.738 -0.024 0.000 0.901 157 Q HN 0.398 nan 8.270 nan 0.000 0.429 158 N N -0.182 118.545 118.700 0.044 0.000 2.106 158 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 158 N C 1.781 177.376 175.510 0.141 0.000 1.029 158 N CA 1.423 54.531 53.050 0.096 0.000 0.848 158 N CB -0.190 38.371 38.487 0.123 0.000 1.007 158 N HN 0.337 nan 8.380 nan 0.000 0.423 159 I N 1.334 121.926 120.570 0.036 0.000 2.208 159 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 159 I C 2.432 178.606 176.117 0.096 0.000 1.097 159 I CA 1.148 62.431 61.300 -0.029 0.000 1.363 159 I CB -0.092 37.832 38.000 -0.128 0.000 1.051 159 I HN 0.107 nan 8.210 nan 0.000 0.413 160 R N 0.332 120.852 120.500 0.034 0.000 2.062 160 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 160 R C 1.813 178.076 176.300 -0.062 0.000 1.128 160 R CA 1.446 57.539 56.100 -0.011 0.000 0.960 160 R CB -0.315 29.973 30.300 -0.020 0.000 0.855 160 R HN 0.332 nan 8.270 nan 0.000 0.432 161 D N 0.388 120.772 120.400 -0.027 0.000 2.234 161 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 161 D C 0.347 176.583 176.300 -0.107 0.000 0.962 161 D CA 1.185 55.147 54.000 -0.065 0.000 0.855 161 D CB 0.289 41.078 40.800 -0.017 0.000 0.951 161 D HN 0.141 nan 8.370 nan 0.000 0.500 162 K N -0.470 119.910 120.400 -0.033 0.000 2.313 162 K HA 0.767 5.087 4.320 -0.000 0.000 0.235 162 K C -0.919 175.447 176.600 -0.389 0.000 1.035 162 K CA -0.908 55.320 56.287 -0.097 0.000 0.868 162 K CB 2.573 35.106 32.500 0.055 0.000 1.232 162 K HN -0.135 nan 8.250 nan 0.000 0.459 163 A N 0.969 123.464 122.820 -0.542 0.000 2.540 163 A HA 0.344 4.664 4.320 -0.000 0.000 0.297 163 A C -2.183 175.209 177.584 -0.320 0.000 1.056 163 A CA -0.602 50.989 52.037 -0.743 0.000 0.700 163 A CB 0.672 19.345 19.000 -0.546 0.000 1.280 163 A HN 0.670 nan 8.150 nan 0.000 0.398 164 Y N 1.906 121.915 120.300 -0.486 0.000 2.323 164 Y HA 0.638 5.188 4.550 -0.000 0.000 0.331 164 Y C 0.632 176.634 175.900 0.170 0.000 1.092 164 Y CA 1.129 59.160 58.100 -0.114 0.000 1.150 164 Y CB 1.289 39.662 38.460 -0.145 0.000 1.200 164 Y HN 1.647 nan 8.280 nan 0.000 0.472 165 G N 1.544 110.062 108.800 -0.470 0.000 2.352 165 G HA2 0.124 4.084 3.960 -0.000 0.000 0.283 165 G HA3 0.124 4.084 3.960 -0.000 0.000 0.283 165 G C -0.810 174.073 174.900 -0.028 0.000 1.308 165 G CA -0.267 44.762 45.100 -0.117 0.000 0.892 165 G HN 0.993 nan 8.290 nan 0.000 0.504 166 S N -0.155 115.574 115.700 0.048 0.000 2.574 166 S HA 0.523 4.993 4.470 -0.000 0.000 0.242 166 S C 1.594 176.041 174.600 -0.254 0.000 0.982 166 S CA 0.922 59.089 58.200 -0.056 0.000 0.977 166 S CB 0.053 63.197 63.200 -0.093 0.000 0.814 166 S HN 2.703 nan 8.310 nan 0.000 0.464 167 G N 1.750 110.069 108.800 -0.802 0.000 2.574 167 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.286 167 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.286 167 G C 0.004 174.314 174.900 -0.984 0.000 1.212 167 G CA 0.643 44.812 45.100 -1.552 0.000 0.979 167 G HN 1.666 nan 8.290 nan 0.000 0.557 168 T N -4.127 109.876 114.554 -0.918 0.000 2.843 168 T HA 0.600 4.950 4.350 -0.000 0.000 0.302 168 T C 0.547 174.769 174.700 -0.796 0.000 1.232 168 T CA 0.253 61.764 62.100 -0.981 0.000 1.009 168 T CB 1.465 69.985 68.868 -0.580 0.000 1.254 168 T HN 0.695 nan 8.240 nan 0.000 0.504 169 Y N 0.605 120.461 120.300 -0.740 0.000 2.165 169 Y HA -0.085 4.465 4.550 -0.000 0.000 0.286 169 Y C 2.748 178.441 175.900 -0.345 0.000 1.155 169 Y CA 2.045 59.927 58.100 -0.363 0.000 1.164 169 Y CB -0.502 37.807 38.460 -0.252 0.000 0.978 169 Y HN 0.698 nan 8.280 nan 0.000 0.513 170 M N 0.021 119.486 119.600 -0.225 0.000 2.213 170 M HA -0.050 4.429 4.480 -0.000 0.000 0.263 170 M C 2.147 178.260 176.300 -0.310 0.000 1.062 170 M CA 2.069 57.169 55.300 -0.334 0.000 1.105 170 M CB -0.843 31.586 32.600 -0.284 0.000 1.385 170 M HN 0.155 nan 8.290 nan 0.000 0.417 171 G N -0.928 107.690 108.800 -0.304 0.000 2.396 171 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.214 171 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.214 171 G C 1.409 176.182 174.900 -0.211 0.000 1.166 171 G CA 0.438 45.365 45.100 -0.288 0.000 0.793 171 G HN 0.570 nan 8.290 nan 0.000 0.533 172 Q N 0.326 120.009 119.800 -0.196 0.000 2.061 172 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 172 Q C 3.025 178.994 176.000 -0.051 0.000 0.984 172 Q CA 1.439 57.191 55.803 -0.086 0.000 0.846 172 Q CB -0.311 28.408 28.738 -0.031 0.000 0.902 172 Q HN 0.457 nan 8.270 nan 0.000 0.421 173 A N 1.494 124.259 122.820 -0.093 0.000 1.902 173 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 173 A C 1.922 179.525 177.584 0.031 0.000 1.181 173 A CA 1.519 53.510 52.037 -0.076 0.000 0.623 173 A CB -0.702 18.168 19.000 -0.216 0.000 0.818 173 A HN 0.342 nan 8.150 nan 0.000 0.443 174 N N -0.506 118.182 118.700 -0.021 0.000 2.120 174 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 174 N C 1.993 177.546 175.510 0.072 0.000 1.024 174 N CA 1.551 54.655 53.050 0.089 0.000 0.852 174 N CB -0.192 38.296 38.487 0.002 0.000 1.003 174 N HN 0.422 nan 8.380 nan 0.000 0.424 175 R N 1.146 121.661 120.500 0.025 0.000 2.091 175 R HA 0.019 4.359 4.340 -0.000 0.000 0.238 175 R C 2.353 178.704 176.300 0.085 0.000 1.136 175 R CA 0.968 57.095 56.100 0.045 0.000 0.959 175 R CB -0.588 29.731 30.300 0.030 0.000 0.856 175 R HN 0.246 nan 8.270 nan 0.000 0.437 176 L N -0.663 120.610 121.223 0.084 0.000 2.042 176 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 176 L C 2.262 179.263 176.870 0.220 0.000 1.076 176 L CA 1.162 56.086 54.840 0.140 0.000 0.749 176 L CB -0.486 41.545 42.059 -0.046 0.000 0.893 176 L HN 0.063 nan 8.230 nan 0.000 0.432 177 V N -0.039 119.959 119.914 0.139 0.000 2.490 177 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 177 V C 2.678 178.816 176.094 0.073 0.000 1.061 177 V CA 1.700 64.088 62.300 0.147 0.000 1.064 177 V CB -0.731 31.154 31.823 0.104 0.000 0.670 177 V HN 0.482 nan 8.190 nan 0.000 0.461 178 A N 0.640 123.502 122.820 0.069 0.000 1.930 178 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 178 A C 2.242 179.838 177.584 0.020 0.000 1.175 178 A CA 1.979 54.038 52.037 0.035 0.000 0.627 178 A CB -0.362 18.663 19.000 0.042 0.000 0.815 178 A HN 0.615 nan 8.150 nan 0.000 0.443 179 M N -1.096 118.536 119.600 0.053 0.000 2.200 179 M HA 0.022 4.502 4.480 -0.000 0.000 0.265 179 M C 1.944 178.215 176.300 -0.048 0.000 1.066 179 M CA 2.002 57.327 55.300 0.043 0.000 1.127 179 M CB -0.690 31.975 32.600 0.108 0.000 1.379 179 M HN 0.253 nan 8.290 nan 0.000 0.420 180 K N 0.878 121.176 120.400 -0.170 0.000 2.360 180 K HA -0.145 4.175 4.320 -0.000 0.000 0.201 180 K C 1.657 178.054 176.600 -0.339 0.000 1.046 180 K CA 1.219 57.128 56.287 -0.631 0.000 0.940 180 K CB 0.137 32.111 32.500 -0.877 0.000 0.748 180 K HN 0.380 nan 8.250 nan 0.000 0.465 181 E N -0.100 120.004 120.200 -0.159 0.000 2.127 181 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 181 E C 2.004 178.559 176.600 -0.075 0.000 0.964 181 E CA 0.574 56.911 56.400 -0.104 0.000 0.832 181 E CB 0.088 29.749 29.700 -0.064 0.000 0.790 181 E HN 0.074 nan 8.360 nan 0.000 0.465 182 V N 1.550 121.431 119.914 -0.054 0.000 2.490 182 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 182 V C 2.279 178.352 176.094 -0.036 0.000 1.061 182 V CA 1.905 64.181 62.300 -0.041 0.000 1.064 182 V CB -0.590 31.219 31.823 -0.022 0.000 0.670 182 V HN 0.221 nan 8.190 nan 0.000 0.461 183 A N -0.127 122.672 122.820 -0.035 0.000 2.044 183 A HA -0.003 4.317 4.320 -0.000 0.000 0.213 183 A C 2.138 179.720 177.584 -0.003 0.000 1.169 183 A CA 1.529 53.568 52.037 0.003 0.000 0.724 183 A CB -0.144 18.898 19.000 0.070 0.000 0.840 183 A HN 0.598 nan 8.150 nan 0.000 0.463 184 T N -5.460 109.063 114.554 -0.052 0.000 3.087 184 T HA 0.427 4.777 4.350 -0.000 0.000 0.283 184 T C 1.147 175.814 174.700 -0.055 0.000 0.956 184 T CA 0.905 62.979 62.100 -0.042 0.000 0.894 184 T CB 0.371 69.211 68.868 -0.046 0.000 1.160 184 T HN 0.288 nan 8.240 nan 0.000 0.532 185 G N 1.763 110.525 108.800 -0.064 0.000 2.601 185 G HA2 0.220 4.180 3.960 -0.000 0.000 0.214 185 G HA3 0.220 4.180 3.960 -0.000 0.000 0.214 185 G C 1.210 176.081 174.900 -0.047 0.000 2.067 185 G CA 0.054 45.120 45.100 -0.058 0.000 0.774 185 G HN 0.336 nan 8.290 nan 0.000 0.729 186 R N 0.218 120.688 120.500 -0.050 0.000 2.105 186 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 186 R C 0.145 176.414 176.300 -0.052 0.000 1.135 186 R CA 1.753 57.824 56.100 -0.050 0.000 0.967 186 R CB -0.099 30.169 30.300 -0.055 0.000 0.861 186 R HN 0.374 nan 8.270 nan 0.000 0.442 187 N N -0.169 118.499 118.700 -0.053 0.000 2.824 187 N HA 0.190 4.930 4.740 -0.000 0.000 0.224 187 N C -2.912 172.574 175.510 -0.041 0.000 1.418 187 N CA -1.759 51.259 53.050 -0.054 0.000 0.743 187 N CB 1.378 39.818 38.487 -0.078 0.000 1.395 187 N HN -0.059 nan 8.380 nan 0.000 0.548 188 P HA 0.088 nan 4.420 nan 0.000 0.266 188 P C -0.420 176.878 177.300 -0.003 0.000 1.195 188 P CA -0.030 63.061 63.100 -0.015 0.000 0.768 188 P CB 0.559 32.252 31.700 -0.012 0.000 0.838 189 N N 2.203 120.910 118.700 0.011 0.000 2.353 189 N HA -0.001 4.739 4.740 -0.000 0.000 0.248 189 N C 0.196 175.728 175.510 0.037 0.000 1.240 189 N CA 0.711 53.781 53.050 0.034 0.000 0.862 189 N CB 0.103 38.620 38.487 0.051 0.000 1.086 189 N HN 0.336 nan 8.380 nan 0.000 0.453 190 K N 0.827 121.264 120.400 0.061 0.000 2.376 190 K HA 0.130 4.450 4.320 -0.000 0.000 0.257 190 K C -1.037 175.556 176.600 -0.011 0.000 0.939 190 K CA -0.848 55.456 56.287 0.028 0.000 0.809 190 K CB 1.730 34.245 32.500 0.026 0.000 1.121 190 K HN 0.412 nan 8.250 nan 0.000 0.425 191 D N 4.955 125.315 120.400 -0.068 0.000 2.389 191 D HA -0.006 4.634 4.640 -0.000 0.000 0.263 191 D C -1.279 174.917 176.300 -0.174 0.000 1.255 191 D CA -1.804 52.098 54.000 -0.163 0.000 0.914 191 D CB 1.035 41.772 40.800 -0.106 0.000 1.116 191 D HN 0.236 nan 8.370 nan 0.000 0.502 192 P HA -0.138 nan 4.420 nan 0.000 0.220 192 P C 1.696 178.975 177.300 -0.035 0.000 1.148 192 P CA 0.757 63.749 63.100 -0.180 0.000 0.803 192 P CB 0.249 31.713 31.700 -0.394 0.000 0.782 193 L N -0.683 120.458 121.223 -0.137 0.000 2.275 193 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 193 L C 2.203 179.037 176.870 -0.060 0.000 1.119 193 L CA 1.135 55.900 54.840 -0.125 0.000 0.790 193 L CB -0.832 41.086 42.059 -0.235 0.000 0.919 193 L HN -0.067 nan 8.230 nan 0.000 0.443 194 K N 0.444 120.814 120.400 -0.050 0.000 2.487 194 K HA 0.105 4.425 4.320 -0.000 0.000 0.192 194 K C 1.583 178.178 176.600 -0.007 0.000 1.027 194 K CA 0.626 56.897 56.287 -0.027 0.000 1.054 194 K CB 0.307 32.788 32.500 -0.030 0.000 0.824 194 K HN 0.390 nan 8.250 nan 0.000 0.510 195 L N -1.091 120.144 121.223 0.020 0.000 2.664 195 L HA 0.187 4.526 4.340 -0.000 0.000 0.233 195 L C 1.181 178.032 176.870 -0.031 0.000 1.113 195 L CA 0.360 55.222 54.840 0.036 0.000 0.896 195 L CB 0.453 42.592 42.059 0.134 0.000 1.163 195 L HN 0.324 nan 8.230 nan 0.000 0.497 196 G N -1.416 107.356 108.800 -0.046 0.000 2.284 196 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.201 196 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.201 196 G C -0.011 174.777 174.900 -0.187 0.000 0.998 196 G CA -0.638 44.383 45.100 -0.133 0.000 0.651 196 G HN 0.114 nan 8.290 nan 0.000 0.489 197 Y N 2.151 122.388 120.300 -0.105 0.000 2.379 197 Y HA 0.492 5.042 4.550 -0.000 0.000 0.337 197 Y C 1.340 177.116 175.900 -0.207 0.000 1.238 197 Y CA 0.939 58.946 58.100 -0.155 0.000 1.405 197 Y CB 1.108 39.470 38.460 -0.163 0.000 1.310 197 Y HN 0.303 nan 8.280 nan 0.000 0.569 198 T N -2.193 112.292 114.554 -0.115 0.000 2.907 198 T HA 0.353 4.703 4.350 -0.000 0.000 0.290 198 T C 0.424 174.906 174.700 -0.363 0.000 1.066 198 T CA -0.754 61.160 62.100 -0.311 0.000 1.012 198 T CB 0.689 69.289 68.868 -0.446 0.000 1.184 198 T HN 0.338 nan 8.240 nan 0.000 0.522 199 F N 0.636 120.379 119.950 -0.346 0.000 2.120 199 F HA 0.016 4.542 4.527 -0.000 0.000 0.300 199 F C 2.561 178.047 175.800 -0.523 0.000 1.095 199 F CA 1.798 59.453 58.000 -0.575 0.000 1.249 199 F CB -0.716 37.610 39.000 -1.123 0.000 0.995 199 F HN 0.683 nan 8.300 nan 0.000 0.480 200 E N 0.330 120.305 120.200 -0.375 0.000 2.112 200 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 200 E C 2.285 178.745 176.600 -0.234 0.000 0.979 200 E CA 1.414 57.694 56.400 -0.199 0.000 0.814 200 E CB -0.422 28.938 29.700 -0.567 0.000 0.762 200 E HN 0.266 nan 8.360 nan 0.000 0.460 201 S N -0.162 115.278 115.700 -0.434 0.000 2.383 201 S HA -0.122 4.347 4.470 -0.000 0.000 0.227 201 S C 2.133 176.623 174.600 -0.183 0.000 1.026 201 S CA 1.139 59.040 58.200 -0.497 0.000 0.981 201 S CB -0.573 62.286 63.200 -0.567 0.000 0.818 201 S HN 0.322 nan 8.310 nan 0.000 0.472 202 I N 2.338 122.864 120.570 -0.072 0.000 2.252 202 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 202 I C 3.096 179.202 176.117 -0.017 0.000 1.102 202 I CA 1.084 62.367 61.300 -0.029 0.000 1.385 202 I CB -0.658 37.322 38.000 -0.034 0.000 1.064 202 I HN 0.432 nan 8.210 nan 0.000 0.414 203 A N 0.045 122.929 122.820 0.107 0.000 1.940 203 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 203 A C 2.255 179.932 177.584 0.156 0.000 1.176 203 A CA 1.649 53.846 52.037 0.265 0.000 0.631 203 A CB -0.572 18.760 19.000 0.553 0.000 0.814 203 A HN 0.490 nan 8.150 nan 0.000 0.446 204 Q N -0.761 119.073 119.800 0.056 0.000 2.230 204 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 204 Q C 1.949 177.946 176.000 -0.005 0.000 0.963 204 Q CA 0.823 56.644 55.803 0.030 0.000 0.866 204 Q CB -0.187 28.529 28.738 -0.037 0.000 0.931 204 Q HN 0.699 nan 8.270 nan 0.000 0.452 205 L N 0.010 121.206 121.223 -0.045 0.000 2.056 205 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 205 L C 2.079 178.901 176.870 -0.080 0.000 1.078 205 L CA 0.909 55.720 54.840 -0.048 0.000 0.749 205 L CB -0.250 41.780 42.059 -0.047 0.000 0.901 205 L HN 0.248 nan 8.230 nan 0.000 0.433 206 L N -0.628 120.485 121.223 -0.184 0.000 2.291 206 L HA -0.167 4.173 4.340 -0.000 0.000 0.214 206 L C 2.012 178.768 176.870 -0.189 0.000 1.120 206 L CA 0.513 55.118 54.840 -0.393 0.000 0.799 206 L CB -0.517 40.894 42.059 -1.081 0.000 0.925 206 L HN 0.245 nan 8.230 nan 0.000 0.446 207 D N 0.223 120.654 120.400 0.051 0.000 2.182 207 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 207 D C 2.090 178.451 176.300 0.102 0.000 0.986 207 D CA 1.228 55.333 54.000 0.175 0.000 0.847 207 D CB 0.159 41.052 40.800 0.156 0.000 0.942 207 D HN 0.226 nan 8.370 nan 0.000 0.467 208 I N 0.440 121.045 120.570 0.058 0.000 2.385 208 I HA -0.121 4.049 4.170 -0.000 0.000 0.244 208 I C 2.522 178.681 176.117 0.071 0.000 1.089 208 I CA 1.235 62.574 61.300 0.064 0.000 1.410 208 I CB -1.553 36.480 38.000 0.056 0.000 1.117 208 I HN 0.054 nan 8.210 nan 0.000 0.429 209 T N -0.922 113.660 114.554 0.048 0.000 3.023 209 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 209 T C 0.865 175.663 174.700 0.165 0.000 1.093 209 T CA 0.469 62.631 62.100 0.103 0.000 1.129 209 T CB -0.058 68.843 68.868 0.056 0.000 0.899 209 T HN 0.101 nan 8.240 nan 0.000 0.491 210 L N 1.756 123.000 121.223 0.034 0.000 2.448 210 L HA 0.479 4.819 4.340 -0.000 0.000 0.257 210 L C -2.991 173.920 176.870 0.067 0.000 1.504 210 L CA -1.936 52.880 54.840 -0.040 0.000 0.852 210 L CB 1.595 43.514 42.059 -0.233 0.000 1.051 210 L HN -0.138 nan 8.230 nan 0.000 0.518 211 P HA 0.212 nan 4.420 nan 0.000 0.271 211 P C -0.960 176.389 177.300 0.080 0.000 1.220 211 P CA 0.084 63.260 63.100 0.126 0.000 0.768 211 P CB 1.017 32.771 31.700 0.091 0.000 0.848 212 V N 1.091 121.039 119.914 0.057 0.000 2.680 212 V HA 0.943 5.063 4.120 -0.000 0.000 0.309 212 V C 0.168 176.196 176.094 -0.111 0.000 1.052 212 V CA -0.649 61.618 62.300 -0.056 0.000 0.908 212 V CB 1.794 33.545 31.823 -0.119 0.000 1.001 212 V HN 0.610 nan 8.190 nan 0.000 0.431 213 G N 2.706 111.425 108.800 -0.134 0.000 2.642 213 G HA2 0.820 4.780 3.960 -0.000 0.000 0.291 213 G HA3 0.820 4.780 3.960 -0.000 0.000 0.291 213 G C -2.852 171.907 174.900 -0.235 0.000 1.345 213 G CA -1.684 43.326 45.100 -0.151 0.000 1.043 213 G HN 0.737 nan 8.290 nan 0.000 0.528 214 P HA 0.324 nan 4.420 nan 0.000 0.278 214 P C -2.475 174.618 177.300 -0.344 0.000 1.258 214 P CA -1.445 61.468 63.100 -0.311 0.000 0.811 214 P CB 1.314 32.885 31.700 -0.214 0.000 1.063 224 P HA 0.272 nan 4.420 nan 0.000 0.272 224 P C -0.160 177.056 177.300 -0.140 0.000 1.223 224 P CA -0.280 62.857 63.100 0.061 0.000 0.784 224 P CB 0.882 32.589 31.700 0.012 0.000 0.923 225 L N 2.668 123.661 121.223 -0.385 0.000 2.382 225 L HA 0.055 4.395 4.340 -0.000 0.000 0.259 225 L C 0.936 177.531 176.870 -0.459 0.000 1.291 225 L CA 0.448 54.775 54.840 -0.855 0.000 1.176 225 L CB -0.832 40.400 42.059 -1.379 0.000 1.373 225 L HN 0.647 nan 8.230 nan 0.000 0.426 226 T N -2.624 111.816 114.554 -0.190 0.000 3.130 226 T HA 0.250 4.600 4.350 -0.000 0.000 0.288 226 T C 0.620 175.421 174.700 0.168 0.000 0.936 226 T CA -0.484 61.666 62.100 0.083 0.000 0.897 226 T CB 0.380 69.266 68.868 0.030 0.000 1.178 226 T HN 0.273 nan 8.240 nan 0.000 0.543 227 R N 1.348 121.947 120.500 0.165 0.000 2.778 227 R HA 0.726 5.066 4.340 -0.000 0.000 0.277 227 R C -0.094 176.383 176.300 0.296 0.000 0.977 227 R CA -0.947 55.257 56.100 0.174 0.000 0.950 227 R CB 2.233 32.584 30.300 0.085 0.000 1.165 227 R HN 0.236 nan 8.270 nan 0.000 0.474 228 V N -0.297 119.727 119.914 0.182 0.000 3.051 228 V HA 0.159 4.278 4.120 -0.000 0.000 0.306 228 V C -1.904 174.281 176.094 0.152 0.000 1.083 228 V CA -1.273 61.115 62.300 0.148 0.000 1.104 228 V CB 0.731 32.591 31.823 0.062 0.000 1.027 228 V HN 0.637 nan 8.190 nan 0.000 0.483 229 P HA -0.120 nan 4.420 nan 0.000 0.219 229 P C 2.016 179.377 177.300 0.102 0.000 1.146 229 P CA 1.827 64.999 63.100 0.121 0.000 0.808 229 P CB 0.094 31.849 31.700 0.092 0.000 0.779 230 S N -0.548 115.205 115.700 0.089 0.000 2.382 230 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 230 S C 1.673 176.347 174.600 0.124 0.000 1.027 230 S CA 0.954 59.207 58.200 0.089 0.000 0.991 230 S CB -0.524 62.720 63.200 0.073 0.000 0.823 230 S HN -0.021 nan 8.310 nan 0.000 0.469 231 R N 0.499 121.075 120.500 0.126 0.000 2.320 231 R HA 0.248 4.588 4.340 -0.000 0.000 0.211 231 R C 0.924 177.323 176.300 0.165 0.000 0.931 231 R CA 0.077 56.260 56.100 0.139 0.000 1.071 231 R CB -0.379 29.985 30.300 0.108 0.000 1.025 231 R HN 0.481 nan 8.270 nan 0.000 0.495 232 M N 0.196 119.903 119.600 0.179 0.000 2.561 232 M HA 0.172 4.652 4.480 -0.000 0.000 0.238 232 M C 0.077 176.550 176.300 0.288 0.000 1.131 232 M CA 0.400 55.848 55.300 0.247 0.000 1.046 232 M CB -0.051 32.670 32.600 0.202 0.000 1.532 232 M HN -0.070 nan 8.290 nan 0.000 0.497 233 L N 0.765 122.134 121.223 0.243 0.000 2.324 233 L HA 0.446 4.786 4.340 -0.000 0.000 0.274 233 L C -0.628 176.436 176.870 0.324 0.000 1.012 233 L CA -0.599 54.396 54.840 0.258 0.000 0.859 233 L CB 1.436 43.636 42.059 0.236 0.000 1.224 233 L HN -0.251 nan 8.230 nan 0.000 0.429 234 V N 3.618 123.675 119.914 0.237 0.000 2.532 234 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 234 V C -0.214 175.851 176.094 -0.048 0.000 1.041 234 V CA -0.642 61.736 62.300 0.131 0.000 0.926 234 V CB 2.284 34.212 31.823 0.175 0.000 0.992 234 V HN 0.455 nan 8.190 nan 0.000 0.457 235 L N 4.808 125.864 121.223 -0.279 0.000 2.298 235 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 235 L C 0.568 177.267 176.870 -0.284 0.000 1.013 235 L CA 0.114 54.647 54.840 -0.513 0.000 0.824 235 L CB 1.665 43.028 42.059 -1.160 0.000 1.221 235 L HN 0.854 nan 8.230 nan 0.000 0.418 236 T N 2.265 116.709 114.554 -0.184 0.000 2.727 236 T HA 0.587 4.937 4.350 -0.000 0.000 0.295 236 T C 0.738 175.364 174.700 -0.123 0.000 0.915 236 T CA -0.263 61.769 62.100 -0.113 0.000 1.066 236 T CB 0.498 69.329 68.868 -0.061 0.000 0.891 236 T HN 0.766 nan 8.240 nan 0.000 0.516 245 V N -0.976 118.939 119.914 0.002 0.000 2.656 245 V HA 0.998 5.117 4.120 -0.000 0.000 0.307 245 V C 0.030 176.118 176.094 -0.009 0.000 1.051 245 V CA -0.132 62.178 62.300 0.017 0.000 0.893 245 V CB 1.181 33.116 31.823 0.187 0.000 0.999 245 V HN 1.560 nan 8.190 nan 0.000 0.426 246 E N 2.654 122.822 120.200 -0.053 0.000 2.175 246 E HA 0.587 4.937 4.350 -0.000 0.000 0.278 246 E C -1.032 175.359 176.600 -0.349 0.000 0.969 246 E CA -0.594 55.668 56.400 -0.230 0.000 0.796 246 E CB 1.606 31.148 29.700 -0.263 0.000 1.104 246 E HN 0.851 nan 8.360 nan 0.000 0.395 247 D N 1.510 121.666 120.400 -0.408 0.000 2.349 247 D HA 0.299 4.939 4.640 -0.000 0.000 0.232 247 D C -0.791 175.295 176.300 -0.357 0.000 1.071 247 D CA -0.318 53.523 54.000 -0.265 0.000 0.832 247 D CB 0.738 41.473 40.800 -0.107 0.000 1.086 247 D HN 0.531 nan 8.370 nan 0.000 0.504 248 Y N 2.235 122.594 120.300 0.099 0.000 2.531 248 Y HA 0.296 4.846 4.550 -0.000 0.000 0.249 248 Y C 0.619 176.592 175.900 0.122 0.000 1.168 248 Y CA -0.346 57.832 58.100 0.130 0.000 1.226 248 Y CB 0.399 38.932 38.460 0.122 0.000 1.177 248 Y HN 0.203 nan 8.280 nan 0.000 0.527 249 L N 2.377 123.685 121.223 0.142 0.000 2.397 249 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 249 L C -1.846 174.948 176.870 -0.126 0.000 1.148 249 L CA -1.933 52.935 54.840 0.047 0.000 0.825 249 L CB 0.408 42.473 42.059 0.009 0.000 1.117 249 L HN -0.062 nan 8.230 nan 0.000 0.456 250 P HA 0.030 nan 4.420 nan 0.000 0.272 250 P C -1.029 175.809 177.300 -0.770 0.000 1.248 250 P CA -0.319 62.379 63.100 -0.671 0.000 0.799 250 P CB 0.473 31.998 31.700 -0.292 0.000 0.997 251 K N 0.798 120.530 120.400 -1.113 0.000 2.130 251 K HA 0.553 4.873 4.320 -0.000 0.000 0.268 251 K C -0.502 175.931 176.600 -0.277 0.000 0.983 251 K CA -0.430 55.515 56.287 -0.571 0.000 0.893 251 K CB 0.357 32.571 32.500 -0.478 0.000 1.066 251 K HN 0.358 nan 8.250 nan 0.000 0.450 252 I N 0.719 121.200 120.570 -0.148 0.000 2.752 252 I HA 0.384 4.553 4.170 -0.000 0.000 0.295 252 I C -1.314 174.756 176.117 -0.079 0.000 1.219 252 I CA -1.148 60.111 61.300 -0.069 0.000 1.030 252 I CB 1.650 39.622 38.000 -0.047 0.000 1.259 252 I HN 0.603 nan 8.210 nan 0.000 0.423 253 N N 5.887 124.542 118.700 -0.074 0.000 2.430 253 N HA 0.233 4.973 4.740 -0.000 0.000 0.265 253 N C 0.511 175.976 175.510 -0.075 0.000 1.100 253 N CA -0.591 52.420 53.050 -0.065 0.000 0.961 253 N CB 2.017 40.473 38.487 -0.051 0.000 1.075 253 N HN 0.817 nan 8.380 nan 0.000 0.478 254 L N 0.710 121.897 121.223 -0.060 0.000 2.549 254 L HA -0.074 4.266 4.340 -0.000 0.000 0.230 254 L C 1.696 178.537 176.870 -0.048 0.000 1.162 254 L CA 0.988 55.794 54.840 -0.056 0.000 0.834 254 L CB -0.357 41.674 42.059 -0.046 0.000 0.947 254 L HN 0.484 nan 8.230 nan 0.000 0.452 255 K N -0.305 120.068 120.400 -0.045 0.000 2.334 255 K HA 0.056 4.375 4.320 -0.000 0.000 0.195 255 K C 1.159 177.729 176.600 -0.050 0.000 1.045 255 K CA 0.103 56.373 56.287 -0.029 0.000 1.004 255 K CB 0.350 32.844 32.500 -0.010 0.000 0.837 255 K HN 0.288 nan 8.250 nan 0.000 0.510 256 S N 0.985 116.629 115.700 -0.092 0.000 2.600 256 S HA 0.107 4.577 4.470 -0.000 0.000 0.265 256 S C 0.325 174.843 174.600 -0.136 0.000 1.325 256 S CA -0.956 57.152 58.200 -0.153 0.000 1.002 256 S CB 1.072 64.153 63.200 -0.197 0.000 0.921 256 S HN 0.181 nan 8.310 nan 0.000 0.554 257 S N 0.699 116.294 115.700 -0.175 0.000 2.564 257 S HA 0.189 4.659 4.470 -0.000 0.000 0.278 257 S C 1.043 175.580 174.600 -0.105 0.000 1.333 257 S CA -0.257 57.883 58.200 -0.100 0.000 1.048 257 S CB 1.160 64.319 63.200 -0.068 0.000 0.900 257 S HN 0.860 nan 8.310 nan 0.000 0.505 258 S N 3.147 118.820 115.700 -0.046 0.000 2.402 258 S HA 0.232 4.702 4.470 -0.000 0.000 0.229 258 S C 1.276 175.869 174.600 -0.012 0.000 1.021 258 S CA 1.166 59.357 58.200 -0.015 0.000 0.974 258 S CB -1.536 61.692 63.200 0.047 0.000 0.800 258 S HN 2.042 nan 8.310 nan 0.000 0.484 259 G N 0.178 108.945 108.800 -0.054 0.000 2.782 259 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.228 259 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.228 259 G C -0.562 174.299 174.900 -0.065 0.000 1.372 259 G CA -0.374 44.660 45.100 -0.110 0.000 0.862 259 G HN 0.575 nan 8.290 nan 0.000 0.547 260 L N 1.389 122.537 121.223 -0.125 0.000 2.514 260 L HA 0.246 4.586 4.340 -0.000 0.000 0.280 260 L C -1.015 175.759 176.870 -0.161 0.000 1.223 260 L CA -0.731 54.007 54.840 -0.172 0.000 0.864 260 L CB 0.653 42.599 42.059 -0.189 0.000 1.118 260 L HN 0.496 nan 8.230 nan 0.000 0.494 261 P HA 0.100 nan 4.420 nan 0.000 0.241 261 P C -0.790 176.058 177.300 -0.754 0.000 1.783 261 P CA 0.145 62.802 63.100 -0.740 0.000 1.052 261 P CB -0.059 30.989 31.700 -1.086 0.000 1.594 262 Y N -1.187 119.079 120.300 -0.057 0.000 2.516 262 Y HA 0.181 4.731 4.550 -0.000 0.000 0.341 262 Y C 0.731 176.627 175.900 -0.007 0.000 0.912 262 Y CA -1.134 56.952 58.100 -0.024 0.000 1.167 262 Y CB 0.261 38.703 38.460 -0.030 0.000 1.195 262 Y HN -0.294 nan 8.280 nan 0.000 0.610 263 V N 1.266 121.236 119.914 0.093 0.000 2.752 263 V HA 0.102 4.222 4.120 -0.000 0.000 0.306 263 V C 1.377 177.553 176.094 0.136 0.000 1.099 263 V CA 1.857 64.221 62.300 0.106 0.000 1.240 263 V CB 0.199 32.109 31.823 0.145 0.000 0.887 263 V HN 0.943 nan 8.190 nan 0.000 0.499 264 G N 4.214 113.102 108.800 0.146 0.000 2.159 264 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.256 264 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.256 264 G C 0.144 175.102 174.900 0.098 0.000 0.977 264 G CA 0.356 45.536 45.100 0.133 0.000 0.652 264 G HN 0.683 nan 8.290 nan 0.000 0.531 265 R N 0.091 120.645 120.500 0.090 0.000 2.807 265 R HA 0.658 4.998 4.340 -0.000 0.000 0.276 265 R C 0.501 176.817 176.300 0.025 0.000 0.979 265 R CA -0.102 56.028 56.100 0.051 0.000 0.928 265 R CB 1.407 31.732 30.300 0.041 0.000 1.191 265 R HN 0.300 nan 8.270 nan 0.000 0.471 266 T N -1.575 112.976 114.554 -0.004 0.000 2.874 266 T HA 0.223 4.573 4.350 -0.000 0.000 0.281 266 T C 0.998 175.664 174.700 -0.055 0.000 0.994 266 T CA -0.846 61.239 62.100 -0.026 0.000 1.015 266 T CB 1.306 70.160 68.868 -0.022 0.000 1.028 266 T HN 0.448 nan 8.240 nan 0.000 0.523 267 K N 1.052 121.411 120.400 -0.068 0.000 2.063 267 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 267 K C 2.518 179.070 176.600 -0.080 0.000 1.048 267 K CA 1.498 57.737 56.287 -0.079 0.000 0.928 267 K CB -0.940 31.505 32.500 -0.091 0.000 0.713 267 K HN 0.833 nan 8.250 nan 0.000 0.442 268 G N 1.578 110.338 108.800 -0.068 0.000 2.485 268 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.221 268 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.221 268 G C 1.048 175.906 174.900 -0.071 0.000 1.115 268 G CA 0.846 45.909 45.100 -0.062 0.000 0.751 268 G HN 0.405 nan 8.290 nan 0.000 0.567 269 E N -0.554 119.598 120.200 -0.079 0.000 2.479 269 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 269 E C 1.357 177.862 176.600 -0.158 0.000 1.049 269 E CA 0.773 57.116 56.400 -0.096 0.000 0.870 269 E CB 0.405 30.059 29.700 -0.077 0.000 0.944 269 E HN 0.485 nan 8.360 nan 0.000 0.492 270 T N -2.754 111.693 114.554 -0.178 0.000 3.442 270 T HA 0.323 4.673 4.350 -0.000 0.000 0.295 270 T C 1.175 175.772 174.700 -0.172 0.000 1.007 270 T CA -0.368 61.569 62.100 -0.272 0.000 0.962 270 T CB -0.336 68.289 68.868 -0.405 0.000 1.187 270 T HN -0.042 nan 8.240 nan 0.000 0.490 271 I N 1.473 121.971 120.570 -0.120 0.000 2.142 271 I HA 0.007 4.177 4.170 -0.000 0.000 0.240 271 I C 2.915 178.990 176.117 -0.071 0.000 1.078 271 I CA 1.703 62.954 61.300 -0.082 0.000 1.343 271 I CB -0.668 37.287 38.000 -0.075 0.000 1.046 271 I HN 0.515 nan 8.210 nan 0.000 0.405 272 G N 0.436 109.188 108.800 -0.080 0.000 2.476 272 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 272 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 272 G C 1.466 176.342 174.900 -0.041 0.000 1.164 272 G CA 0.946 46.010 45.100 -0.060 0.000 0.768 272 G HN 0.339 nan 8.290 nan 0.000 0.560 273 E N -0.330 119.824 120.200 -0.076 0.000 2.077 273 E HA -0.085 4.264 4.350 -0.000 0.000 0.193 273 E C 2.350 178.979 176.600 0.049 0.000 0.989 273 E CA 0.948 57.329 56.400 -0.031 0.000 0.800 273 E CB -0.342 29.230 29.700 -0.213 0.000 0.746 273 E HN 0.477 nan 8.360 nan 0.000 0.452 274 M N 0.024 119.632 119.600 0.014 0.000 2.108 274 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 274 M C 1.847 178.175 176.300 0.047 0.000 1.066 274 M CA 1.668 57.000 55.300 0.053 0.000 1.107 274 M CB -0.053 32.559 32.600 0.019 0.000 1.356 274 M HN 0.120 nan 8.290 nan 0.000 0.406 275 I N 0.165 120.750 120.570 0.025 0.000 2.286 275 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 275 I C 2.688 178.827 176.117 0.036 0.000 1.104 275 I CA 0.936 62.252 61.300 0.027 0.000 1.397 275 I CB -0.683 37.325 38.000 0.013 0.000 1.072 275 I HN 0.350 nan 8.210 nan 0.000 0.417 276 A N 1.266 124.109 122.820 0.038 0.000 1.892 276 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 276 A C 2.296 179.924 177.584 0.073 0.000 1.188 276 A CA 1.880 53.945 52.037 0.048 0.000 0.631 276 A CB -0.955 18.073 19.000 0.046 0.000 0.822 276 A HN 0.400 nan 8.150 nan 0.000 0.447 277 I N -0.319 120.314 120.570 0.106 0.000 2.353 277 I HA -0.190 3.979 4.170 -0.000 0.000 0.248 277 I C 2.659 178.833 176.117 0.096 0.000 1.119 277 I CA 1.292 62.685 61.300 0.155 0.000 1.417 277 I CB -0.227 37.905 38.000 0.221 0.000 1.078 277 I HN 0.233 nan 8.210 nan 0.000 0.421 278 S N 0.956 116.678 115.700 0.036 0.000 2.356 278 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 278 S C 1.757 176.348 174.600 -0.014 0.000 1.032 278 S CA 1.439 59.624 58.200 -0.025 0.000 1.005 278 S CB -0.474 62.709 63.200 -0.029 0.000 0.867 278 S HN 0.422 nan 8.310 nan 0.000 0.449 279 N N 1.713 120.420 118.700 0.011 0.000 2.018 279 N HA -0.146 4.594 4.740 -0.000 0.000 0.196 279 N C 1.889 177.395 175.510 -0.007 0.000 1.043 279 N CA 1.440 54.493 53.050 0.005 0.000 0.856 279 N CB -0.650 37.852 38.487 0.024 0.000 1.042 279 N HN 0.510 nan 8.380 nan 0.000 0.423 280 Q N -0.678 119.142 119.800 0.034 0.000 2.077 280 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 280 Q C 1.959 177.960 176.000 0.001 0.000 0.989 280 Q CA 1.429 57.264 55.803 0.054 0.000 0.853 280 Q CB -0.346 28.478 28.738 0.145 0.000 0.907 280 Q HN 0.382 nan 8.270 nan 0.000 0.418 281 F N 1.055 120.874 119.950 -0.218 0.000 2.095 281 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 281 F C 1.832 177.411 175.800 -0.367 0.000 1.104 281 F CA 1.358 59.063 58.000 -0.491 0.000 1.232 281 F CB -0.115 38.475 39.000 -0.683 0.000 0.987 281 F HN -0.039 nan 8.300 nan 0.000 0.475 282 L N -0.265 120.798 121.223 -0.265 0.000 2.109 282 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 282 L C 2.623 179.311 176.870 -0.304 0.000 1.086 282 L CA 1.154 55.767 54.840 -0.378 0.000 0.760 282 L CB -0.600 41.231 42.059 -0.380 0.000 0.910 282 L HN 0.014 nan 8.230 nan 0.000 0.437 283 R N -0.004 120.379 120.500 -0.195 0.000 2.081 283 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 283 R C 2.202 178.409 176.300 -0.155 0.000 1.131 283 R CA 1.418 57.438 56.100 -0.134 0.000 0.960 283 R CB -0.189 30.069 30.300 -0.071 0.000 0.856 283 R HN 0.428 nan 8.270 nan 0.000 0.436 284 E N 0.349 120.432 120.200 -0.195 0.000 2.077 284 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 284 E C 1.894 178.344 176.600 -0.250 0.000 0.989 284 E CA 0.951 57.239 56.400 -0.187 0.000 0.800 284 E CB -0.069 29.542 29.700 -0.148 0.000 0.746 284 E HN 0.117 nan 8.360 nan 0.000 0.452 285 L N 0.839 121.823 121.223 -0.398 0.000 2.141 285 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 285 L C 2.344 179.080 176.870 -0.223 0.000 1.094 285 L CA 1.937 56.555 54.840 -0.370 0.000 0.763 285 L CB -0.447 41.300 42.059 -0.521 0.000 0.908 285 L HN 0.032 nan 8.230 nan 0.000 0.437 286 S N -2.133 113.447 115.700 -0.200 0.000 2.387 286 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 286 S C 1.876 176.422 174.600 -0.091 0.000 1.026 286 S CA 1.372 59.495 58.200 -0.128 0.000 0.972 286 S CB -0.770 62.363 63.200 -0.112 0.000 0.814 286 S HN 0.529 nan 8.310 nan 0.000 0.477 287 T N 3.067 117.565 114.554 -0.093 0.000 2.652 287 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 287 T C 1.658 176.321 174.700 -0.061 0.000 1.039 287 T CA 1.712 63.772 62.100 -0.066 0.000 1.153 287 T CB -0.649 68.182 68.868 -0.061 0.000 0.863 287 T HN 0.231 nan 8.240 nan 0.000 0.428 288 L N 0.712 121.889 121.223 -0.078 0.000 2.043 288 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 288 L C 2.357 179.196 176.870 -0.052 0.000 1.075 288 L CA 1.531 56.332 54.840 -0.065 0.000 0.752 288 L CB -0.914 41.095 42.059 -0.084 0.000 0.891 288 L HN 0.298 nan 8.230 nan 0.000 0.432 289 L N -1.254 119.933 121.223 -0.059 0.000 2.217 289 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 289 L C 2.495 179.348 176.870 -0.028 0.000 1.107 289 L CA 0.891 55.707 54.840 -0.040 0.000 0.783 289 L CB -0.424 41.610 42.059 -0.041 0.000 0.919 289 L HN 0.280 nan 8.230 nan 0.000 0.442 290 K N 0.335 120.716 120.400 -0.032 0.000 2.062 290 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 290 K C 2.111 178.699 176.600 -0.019 0.000 1.051 290 K CA 1.137 57.410 56.287 -0.023 0.000 0.941 290 K CB 0.093 32.578 32.500 -0.025 0.000 0.719 290 K HN 0.279 nan 8.250 nan 0.000 0.440 291 Q N -0.054 119.733 119.800 -0.022 0.000 2.167 291 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 291 Q C 0.965 176.956 176.000 -0.014 0.000 0.970 291 Q CA 0.634 56.427 55.803 -0.017 0.000 0.855 291 Q CB -0.076 28.651 28.738 -0.019 0.000 0.911 291 Q HN 0.511 nan 8.270 nan 0.000 0.438 292 G N 0.825 109.616 108.800 -0.016 0.000 2.645 292 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.239 292 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.239 292 G C -0.389 174.505 174.900 -0.011 0.000 1.331 292 G CA -0.513 44.580 45.100 -0.012 0.000 0.890 292 G HN 0.583 nan 8.290 nan 0.000 0.572 293 A N 0.247 123.062 122.820 -0.008 0.000 2.451 293 A HA 0.604 4.924 4.320 -0.000 0.000 0.266 293 A C 1.796 179.375 177.584 -0.007 0.000 1.119 293 A CA 1.211 53.244 52.037 -0.007 0.000 0.786 293 A CB 0.313 19.310 19.000 -0.005 0.000 1.061 293 A HN 2.429 nan 8.150 nan 0.000 0.503 294 G N 1.830 110.625 108.800 -0.008 0.000 2.527 294 G HA2 0.131 4.091 3.960 -0.000 0.000 0.219 294 G HA3 0.131 4.091 3.960 -0.000 0.000 0.219 294 G C 0.809 175.706 174.900 -0.006 0.000 1.117 294 G CA 1.257 46.352 45.100 -0.007 0.000 0.759 294 G HN 2.363 nan 8.290 nan 0.000 0.556 295 T N -1.233 113.318 114.554 -0.006 0.000 2.183 295 T HA -0.133 4.217 4.350 -0.000 0.000 0.552 295 T C -0.435 174.262 174.700 -0.005 0.000 0.866 295 T CA 0.913 63.010 62.100 -0.005 0.000 2.936 295 T CB -1.851 67.014 68.868 -0.004 0.000 1.770 295 T HN 0.682 nan 8.240 nan 0.000 0.456 296 K N 2.817 123.214 120.400 -0.005 0.000 2.530 296 K HA 0.700 5.019 4.320 -0.000 0.000 0.230 296 K C 1.282 177.878 176.600 -0.007 0.000 1.002 296 K CA -0.404 55.880 56.287 -0.005 0.000 1.014 296 K CB 0.925 33.422 32.500 -0.004 0.000 1.286 296 K HN 1.609 nan 8.250 nan 0.000 0.480 297 G N 1.195 109.990 108.800 -0.008 0.000 2.143 297 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.248 297 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.248 297 G C 0.918 175.812 174.900 -0.011 0.000 0.991 297 G CA 0.656 45.750 45.100 -0.010 0.000 0.689 297 G HN 0.531 nan 8.290 nan 0.000 0.522 298 S N 0.616 116.311 115.700 -0.009 0.000 2.338 298 S HA -0.081 4.389 4.470 -0.000 0.000 0.218 298 S C 1.333 175.928 174.600 -0.009 0.000 1.032 298 S CA 1.068 59.263 58.200 -0.008 0.000 0.999 298 S CB -0.210 62.986 63.200 -0.007 0.000 0.905 298 S HN 0.496 nan 8.310 nan 0.000 0.439 299 N N 2.252 120.946 118.700 -0.009 0.000 2.926 299 N HA 0.094 4.834 4.740 -0.000 0.000 0.284 299 N C 0.673 176.176 175.510 -0.011 0.000 1.303 299 N CA 0.284 53.328 53.050 -0.010 0.000 1.062 299 N CB 0.224 38.704 38.487 -0.012 0.000 1.389 299 N HN 0.641 nan 8.380 nan 0.000 0.538 300 K N 0.213 120.606 120.400 -0.011 0.000 2.391 300 K HA 0.107 4.427 4.320 -0.000 0.000 0.197 300 K C 1.400 177.995 176.600 -0.009 0.000 1.087 300 K CA 0.130 56.409 56.287 -0.012 0.000 1.012 300 K CB 0.425 32.914 32.500 -0.018 0.000 0.925 300 K HN -0.111 nan 8.250 nan 0.000 0.547 301 K N 1.167 121.563 120.400 -0.007 0.000 2.404 301 K HA 0.066 4.386 4.320 -0.000 0.000 0.194 301 K C 0.688 177.289 176.600 0.002 0.000 1.023 301 K CA 0.224 56.510 56.287 -0.002 0.000 1.094 301 K CB 0.307 32.806 32.500 -0.003 0.000 0.841 301 K HN 0.065 nan 8.250 nan 0.000 0.523 302 K N 0.600 120.999 120.400 -0.001 0.000 2.057 302 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 302 K C 2.024 178.627 176.600 0.004 0.000 1.050 302 K CA 1.046 57.333 56.287 -0.001 0.000 0.935 302 K CB -0.102 32.393 32.500 -0.008 0.000 0.715 302 K HN 0.046 nan 8.250 nan 0.000 0.439 303 L N 1.436 122.659 121.223 0.001 0.000 2.023 303 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 303 L C 1.873 178.761 176.870 0.029 0.000 1.073 303 L CA 1.500 56.343 54.840 0.005 0.000 0.745 303 L CB -0.425 41.632 42.059 -0.003 0.000 0.900 303 L HN 0.104 nan 8.230 nan 0.000 0.435 304 L N -0.952 120.286 121.223 0.025 0.000 2.079 304 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 304 L C 2.720 179.620 176.870 0.050 0.000 1.081 304 L CA 1.516 56.377 54.840 0.036 0.000 0.752 304 L CB -1.029 41.042 42.059 0.019 0.000 0.896 304 L HN 0.417 nan 8.230 nan 0.000 0.433 305 S N -0.241 115.483 115.700 0.039 0.000 2.356 305 S HA -0.239 4.231 4.470 -0.000 0.000 0.223 305 S C 2.037 176.678 174.600 0.069 0.000 1.032 305 S CA 1.459 59.684 58.200 0.042 0.000 1.005 305 S CB -0.122 63.093 63.200 0.025 0.000 0.867 305 S HN 0.340 nan 8.310 nan 0.000 0.449 306 M N 0.515 120.166 119.600 0.085 0.000 2.077 306 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 306 M C 2.011 178.475 176.300 0.273 0.000 1.070 306 M CA 1.555 56.950 55.300 0.160 0.000 1.125 306 M CB -0.429 32.235 32.600 0.106 0.000 1.339 306 M HN 0.389 nan 8.290 nan 0.000 0.409 307 L N -0.423 120.926 121.223 0.210 0.000 2.046 307 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 307 L C 2.447 179.462 176.870 0.241 0.000 1.077 307 L CA 1.287 56.275 54.840 0.247 0.000 0.747 307 L CB -0.710 41.449 42.059 0.166 0.000 0.896 307 L HN 0.312 nan 8.230 nan 0.000 0.432 308 S N -0.435 115.373 115.700 0.180 0.000 2.382 308 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 308 S C 1.501 176.253 174.600 0.253 0.000 1.027 308 S CA 1.373 59.685 58.200 0.187 0.000 0.991 308 S CB -0.308 62.955 63.200 0.104 0.000 0.823 308 S HN 0.434 nan 8.310 nan 0.000 0.469 309 D N -0.109 120.382 120.400 0.152 0.000 2.264 309 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 309 D C 0.258 176.494 176.300 -0.108 0.000 0.966 309 D CA 0.863 54.883 54.000 0.034 0.000 0.864 309 D CB -0.054 40.671 40.800 -0.125 0.000 0.933 309 D HN 0.508 nan 8.370 nan 0.000 0.499 310 Y N 0.339 120.679 120.300 0.067 0.000 2.751 310 Y HA 0.083 4.633 4.550 -0.000 0.000 0.289 310 Y C 1.532 177.222 175.900 -0.350 0.000 1.110 310 Y CA -1.007 56.938 58.100 -0.260 0.000 1.251 310 Y CB -0.183 38.242 38.460 -0.057 0.000 1.178 310 Y HN 0.091 nan 8.280 nan 0.000 0.540 311 W N 0.097 121.377 121.300 -0.033 0.000 2.363 311 W HA -0.301 4.359 4.660 -0.000 0.000 0.296 311 W C 1.226 177.727 176.519 -0.029 0.000 1.212 311 W CA 1.463 58.810 57.345 0.004 0.000 1.260 311 W CB -1.509 27.983 29.460 0.054 0.000 1.131 311 W HN 0.479 nan 8.180 nan 0.000 0.530 312 Y N 0.505 120.137 120.300 -1.114 0.000 2.483 312 Y HA 0.025 4.575 4.550 -0.000 0.000 0.291 312 Y C 2.254 177.884 175.900 -0.449 0.000 1.143 312 Y CA 0.997 58.372 58.100 -1.208 0.000 1.289 312 Y CB -1.455 36.145 38.460 -1.433 0.000 0.983 312 Y HN -0.098 nan 8.280 nan 0.000 0.556 313 L N 0.761 121.579 121.223 -0.675 0.000 2.456 313 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 313 L C 1.893 178.712 176.870 -0.085 0.000 1.148 313 L CA 1.367 55.994 54.840 -0.355 0.000 0.825 313 L CB -0.483 41.302 42.059 -0.457 0.000 0.937 313 L HN 0.523 nan 8.230 nan 0.000 0.450 314 S N -2.562 113.142 115.700 0.007 0.000 2.568 314 S HA 0.086 4.555 4.470 -0.000 0.000 0.232 314 S C 0.137 174.931 174.600 0.323 0.000 0.975 314 S CA -0.726 57.596 58.200 0.204 0.000 0.949 314 S CB -0.056 63.255 63.200 0.185 0.000 0.829 314 S HN 0.303 nan 8.310 nan 0.000 0.479 315 C N 2.284 121.671 119.300 0.144 0.000 2.356 315 C HA 0.810 5.270 4.460 -0.000 0.000 0.324 315 C C 0.822 175.608 174.990 -0.340 0.000 1.167 315 C CA -0.317 58.754 59.018 0.089 0.000 1.420 315 C CB -0.262 27.626 27.740 0.245 0.000 2.036 315 C HN 0.634 nan 8.230 nan 0.000 0.435 316 G N 5.320 113.586 108.800 -0.889 0.000 2.448 316 G HA2 0.535 4.495 3.960 -0.000 0.000 0.285 316 G HA3 0.535 4.495 3.960 -0.000 0.000 0.285 316 G C -0.508 173.953 174.900 -0.731 0.000 1.176 316 G CA -0.601 43.609 45.100 -1.482 0.000 0.852 316 G HN 0.895 nan 8.290 nan 0.000 0.530 317 L N 1.260 122.140 121.223 -0.571 0.000 2.367 317 L HA 0.189 4.529 4.340 -0.000 0.000 0.275 317 L C 0.582 177.323 176.870 -0.216 0.000 1.129 317 L CA -0.494 54.073 54.840 -0.456 0.000 0.839 317 L CB 1.082 42.675 42.059 -0.777 0.000 1.133 317 L HN 0.240 nan 8.230 nan 0.000 0.453 318 L N 4.517 125.774 121.223 0.056 0.000 2.404 318 L HA 0.173 4.513 4.340 -0.000 0.000 0.277 318 L C -0.236 176.853 176.870 0.365 0.000 1.184 318 L CA -0.085 54.888 54.840 0.222 0.000 1.013 318 L CB -0.141 42.057 42.059 0.231 0.000 1.318 318 L HN 0.455 nan 8.230 nan 0.000 0.435 319 F N 6.897 126.932 119.950 0.141 0.000 2.472 319 F HA 0.283 4.810 4.527 -0.000 0.000 0.364 319 F C -1.540 174.315 175.800 0.092 0.000 1.090 319 F CA -1.849 56.244 58.000 0.155 0.000 1.188 319 F CB 0.838 39.877 39.000 0.065 0.000 1.105 319 F HN 0.312 nan 8.300 nan 0.000 0.536 320 P HA 0.010 nan 4.420 nan 0.000 0.276 320 P C -1.269 176.070 177.300 0.064 0.000 1.253 320 P CA -0.397 62.657 63.100 -0.077 0.000 0.766 320 P CB 1.035 32.573 31.700 -0.270 0.000 0.845 321 K N 3.871 124.374 120.400 0.172 0.000 2.349 321 K HA 0.424 4.744 4.320 -0.000 0.000 0.288 321 K C -0.283 176.389 176.600 0.121 0.000 1.058 321 K CA -0.414 55.994 56.287 0.202 0.000 0.953 321 K CB -0.028 32.583 32.500 0.185 0.000 0.997 321 K HN 0.465 nan 8.250 nan 0.000 0.477 322 A N 5.246 128.086 122.820 0.032 0.000 2.454 322 A HA 0.387 4.707 4.320 -0.000 0.000 0.260 322 A C -0.492 176.884 177.584 -0.347 0.000 1.106 322 A CA 0.091 52.002 52.037 -0.211 0.000 0.780 322 A CB -0.195 18.639 19.000 -0.276 0.000 1.044 322 A HN 0.938 nan 8.150 nan 0.000 0.498 323 E N 1.361 121.199 120.200 -0.605 0.000 2.377 323 E HA 0.472 4.822 4.350 -0.000 0.000 0.266 323 E C -1.232 175.108 176.600 -0.433 0.000 1.111 323 E CA -1.203 54.896 56.400 -0.502 0.000 0.889 323 E CB 0.596 30.008 29.700 -0.479 0.000 1.644 323 E HN 0.361 nan 8.360 nan 0.000 0.464 324 R N 0.796 121.199 120.500 -0.161 0.000 2.419 324 R HA 0.302 4.642 4.340 -0.000 0.000 0.305 324 R C -1.211 175.005 176.300 -0.140 0.000 1.242 324 R CA 0.088 56.160 56.100 -0.048 0.000 1.105 324 R CB -0.500 29.846 30.300 0.078 0.000 1.116 324 R HN 0.285 nan 8.270 nan 0.000 0.523 325 Y N 0.372 120.720 120.300 0.081 0.000 2.335 325 Y HA 0.150 4.700 4.550 -0.000 0.000 0.323 325 Y C 0.731 176.678 175.900 0.077 0.000 1.224 325 Y CA -0.804 57.358 58.100 0.103 0.000 1.241 325 Y CB 0.938 39.504 38.460 0.176 0.000 1.235 325 Y HN 0.374 nan 8.280 nan 0.000 0.492 326 D N 2.069 122.611 120.400 0.237 0.000 2.425 326 D HA 0.018 4.658 4.640 -0.000 0.000 0.247 326 D C 0.667 177.026 176.300 0.099 0.000 1.147 326 D CA 0.194 54.256 54.000 0.104 0.000 0.879 326 D CB 1.217 42.067 40.800 0.084 0.000 1.179 326 D HN 0.588 nan 8.370 nan 0.000 0.456 327 K N 0.887 121.205 120.400 -0.137 0.000 2.089 327 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 327 K C 1.982 178.582 176.600 0.001 0.000 1.048 327 K CA 1.575 57.657 56.287 -0.340 0.000 0.926 327 K CB -0.058 31.936 32.500 -0.845 0.000 0.714 327 K HN 0.419 nan 8.250 nan 0.000 0.448 328 S N 0.124 115.831 115.700 0.011 0.000 2.442 328 S HA -0.110 4.360 4.470 -0.000 0.000 0.236 328 S C 1.670 176.339 174.600 0.116 0.000 1.007 328 S CA 1.492 59.734 58.200 0.071 0.000 0.965 328 S CB -0.401 62.822 63.200 0.039 0.000 0.773 328 S HN 0.390 nan 8.310 nan 0.000 0.504 329 T N -4.158 110.479 114.554 0.138 0.000 3.228 329 T HA 0.218 4.567 4.350 -0.000 0.000 0.278 329 T C 0.910 175.680 174.700 0.117 0.000 1.014 329 T CA -0.647 61.520 62.100 0.112 0.000 0.904 329 T CB -0.705 68.210 68.868 0.078 0.000 1.110 329 T HN 0.546 nan 8.240 nan 0.000 0.541 330 W N 1.335 122.632 121.300 -0.005 0.000 2.341 330 W HA -0.035 4.625 4.660 -0.000 0.000 0.283 330 W C 0.731 177.186 176.519 -0.106 0.000 1.215 330 W CA 0.636 57.963 57.345 -0.030 0.000 1.211 330 W CB 0.039 29.610 29.460 0.185 0.000 1.131 330 W HN 0.393 nan 8.180 nan 0.000 0.552 331 L N -0.326 120.922 121.223 0.041 0.000 2.590 331 L HA -0.003 4.337 4.340 -0.000 0.000 0.227 331 L C 2.115 178.911 176.870 -0.123 0.000 1.099 331 L CA 1.296 56.090 54.840 -0.077 0.000 0.872 331 L CB -0.301 41.758 42.059 0.000 0.000 1.088 331 L HN -0.131 nan 8.230 nan 0.000 0.479 332 T N -4.696 109.805 114.554 -0.088 0.000 2.975 332 T HA 0.149 4.499 4.350 -0.000 0.000 0.257 332 T C 0.518 175.171 174.700 -0.079 0.000 1.003 332 T CA -0.235 61.828 62.100 -0.062 0.000 0.932 332 T CB 0.490 69.356 68.868 -0.002 0.000 1.087 332 T HN -0.065 nan 8.240 nan 0.000 0.512 333 K N 1.605 121.918 120.400 -0.146 0.000 2.613 333 K HA 0.532 4.852 4.320 -0.000 0.000 0.248 333 K C -1.666 174.688 176.600 -0.410 0.000 0.959 333 K CA -0.327 55.870 56.287 -0.151 0.000 0.855 333 K CB 1.723 34.209 32.500 -0.023 0.000 1.143 333 K HN 0.110 nan 8.250 nan 0.000 0.437 334 T N 3.085 117.442 114.554 -0.329 0.000 3.011 334 T HA 0.360 4.710 4.350 -0.000 0.000 0.303 334 T C -0.568 174.101 174.700 -0.052 0.000 0.997 334 T CA -0.814 61.024 62.100 -0.438 0.000 1.007 334 T CB 1.180 69.756 68.868 -0.487 0.000 1.017 334 T HN 0.440 nan 8.240 nan 0.000 0.443 335 R N 2.201 122.804 120.500 0.172 0.000 2.594 335 R HA 0.360 4.699 4.340 -0.000 0.000 0.272 335 R C -0.080 176.307 176.300 0.145 0.000 1.074 335 R CA -0.194 56.008 56.100 0.171 0.000 1.105 335 R CB 0.406 30.826 30.300 0.201 0.000 1.008 335 R HN 0.582 nan 8.270 nan 0.000 0.472 336 N N 1.144 119.937 118.700 0.154 0.000 2.361 336 N HA 0.380 5.120 4.740 -0.000 0.000 0.302 336 N C -0.985 174.661 175.510 0.227 0.000 1.074 336 N CA -0.543 52.619 53.050 0.187 0.000 0.850 336 N CB 1.825 40.427 38.487 0.191 0.000 1.228 336 N HN 0.299 nan 8.380 nan 0.000 0.491 337 I N 1.341 122.074 120.570 0.272 0.000 2.355 337 I HA 0.175 4.345 4.170 -0.000 0.000 0.288 337 I C -0.732 175.560 176.117 0.293 0.000 0.999 337 I CA -0.645 60.812 61.300 0.262 0.000 1.163 337 I CB 1.011 39.128 38.000 0.194 0.000 1.316 337 I HN 0.505 nan 8.210 nan 0.000 0.454 338 W N 7.092 128.459 121.300 0.111 0.000 2.659 338 W HA 0.148 4.808 4.660 -0.000 0.000 0.342 338 W C 0.104 176.655 176.519 0.053 0.000 1.287 338 W CA 0.015 57.416 57.345 0.093 0.000 1.460 338 W CB 0.609 30.125 29.460 0.094 0.000 1.503 338 W HN 0.400 nan 8.180 nan 0.000 0.483 339 S N 5.475 121.095 115.700 -0.133 0.000 2.405 339 S HA 0.497 4.967 4.470 -0.000 0.000 0.291 339 S C 0.462 174.860 174.600 -0.338 0.000 1.137 339 S CA -0.727 57.363 58.200 -0.182 0.000 1.061 339 S CB 0.505 63.565 63.200 -0.233 0.000 1.001 339 S HN 0.626 nan 8.310 nan 0.000 0.507 340 A N 5.461 128.223 122.820 -0.097 0.000 2.483 340 A HA 0.421 4.741 4.320 -0.000 0.000 0.238 340 A C -2.354 175.166 177.584 -0.107 0.000 1.070 340 A CA -1.215 50.786 52.037 -0.061 0.000 0.770 340 A CB -0.491 18.712 19.000 0.338 0.000 1.008 340 A HN 0.440 nan 8.150 nan 0.000 0.497 341 P HA 0.030 nan 4.420 nan 0.000 0.265 341 P C 1.022 178.348 177.300 0.044 0.000 1.193 341 P CA 0.617 63.697 63.100 -0.032 0.000 0.765 341 P CB 0.789 32.479 31.700 -0.016 0.000 0.823 342 S N 4.223 119.954 115.700 0.051 0.000 2.400 342 S HA -0.100 4.370 4.470 -0.000 0.000 0.232 342 S C -0.931 173.732 174.600 0.105 0.000 1.025 342 S CA 1.404 59.645 58.200 0.069 0.000 0.993 342 S CB -2.132 61.091 63.200 0.038 0.000 0.808 342 S HN 0.322 nan 8.310 nan 0.000 0.478 343 P HA 0.035 nan 4.420 nan 0.000 0.216 343 P C 1.528 178.835 177.300 0.013 0.000 1.153 343 P CA 1.449 64.569 63.100 0.034 0.000 0.844 343 P CB -0.503 31.200 31.700 0.005 0.000 0.787 344 T N -1.645 112.922 114.554 0.022 0.000 2.720 344 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 344 T C 1.734 176.535 174.700 0.169 0.000 1.037 344 T CA 1.779 63.924 62.100 0.076 0.000 1.144 344 T CB -1.043 67.879 68.868 0.091 0.000 0.864 344 T HN 0.268 nan 8.240 nan 0.000 0.444 345 H N 0.421 119.544 119.070 0.089 0.000 2.357 345 H HA 0.035 4.591 4.556 -0.000 0.000 0.301 345 H C 2.074 177.459 175.328 0.095 0.000 1.082 345 H CA 1.177 57.286 56.048 0.102 0.000 1.342 345 H CB -0.375 29.429 29.762 0.069 0.000 1.389 345 H HN 0.163 nan 8.280 nan 0.000 0.511 346 L N 0.006 121.329 121.223 0.166 0.000 2.017 346 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 346 L C 2.191 179.116 176.870 0.092 0.000 1.073 346 L CA 1.839 56.741 54.840 0.102 0.000 0.745 346 L CB -0.612 41.497 42.059 0.083 0.000 0.894 346 L HN 0.415 nan 8.230 nan 0.000 0.432 347 M N -1.117 118.536 119.600 0.088 0.000 2.086 347 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 347 M C 2.271 178.766 176.300 0.325 0.000 1.067 347 M CA 1.980 57.349 55.300 0.115 0.000 1.116 347 M CB -0.439 31.982 32.600 -0.297 0.000 1.348 347 M HN 0.266 nan 8.290 nan 0.000 0.407 348 I N -0.021 120.747 120.570 0.331 0.000 2.226 348 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 348 I C 2.579 178.801 176.117 0.175 0.000 1.100 348 I CA 1.697 63.177 61.300 0.299 0.000 1.374 348 I CB -0.566 37.531 38.000 0.161 0.000 1.057 348 I HN 0.377 nan 8.210 nan 0.000 0.413 349 S N 0.257 115.995 115.700 0.063 0.000 2.522 349 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 349 S C 1.918 176.633 174.600 0.191 0.000 0.986 349 S CA 0.338 58.586 58.200 0.080 0.000 0.929 349 S CB -0.255 62.900 63.200 -0.075 0.000 0.769 349 S HN 0.356 nan 8.310 nan 0.000 0.529 350 M N 0.579 120.270 119.600 0.152 0.000 2.296 350 M HA 0.077 4.557 4.480 -0.000 0.000 0.265 350 M C 1.761 178.104 176.300 0.072 0.000 1.064 350 M CA 1.262 56.623 55.300 0.101 0.000 1.109 350 M CB -0.494 32.096 32.600 -0.018 0.000 1.396 350 M HN 0.393 nan 8.290 nan 0.000 0.430 351 I N -0.554 120.071 120.570 0.092 0.000 2.235 351 I HA -0.211 3.959 4.170 -0.000 0.000 0.241 351 I C 2.630 178.990 176.117 0.405 0.000 1.085 351 I CA 1.680 63.077 61.300 0.161 0.000 1.378 351 I CB -0.606 37.469 38.000 0.125 0.000 1.076 351 I HN 0.348 nan 8.210 nan 0.000 0.415 352 T N -2.308 112.410 114.554 0.273 0.000 2.894 352 T HA -0.169 4.181 4.350 -0.000 0.000 0.258 352 T C 1.631 176.453 174.700 0.204 0.000 1.043 352 T CA 0.334 62.563 62.100 0.215 0.000 1.141 352 T CB -0.800 68.167 68.868 0.165 0.000 0.873 352 T HN 0.484 nan 8.240 nan 0.000 0.449 353 W N 3.292 124.647 121.300 0.092 0.000 2.332 353 W HA 0.031 4.691 4.660 -0.000 0.000 0.321 353 W C -1.350 175.200 176.519 0.052 0.000 1.219 353 W CA 1.420 58.805 57.345 0.068 0.000 1.277 353 W CB -1.094 28.407 29.460 0.068 0.000 1.161 353 W HN 0.243 nan 8.180 nan 0.000 0.476 354 P HA -0.212 nan 4.420 nan 0.000 0.217 354 P C 1.683 178.768 177.300 -0.359 0.000 1.148 354 P CA 2.171 65.180 63.100 -0.152 0.000 0.828 354 P CB -0.222 31.557 31.700 0.131 0.000 0.783 355 V N -1.110 118.616 119.914 -0.313 0.000 2.379 355 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 355 V C 2.300 178.222 176.094 -0.287 0.000 1.044 355 V CA 1.610 63.684 62.300 -0.376 0.000 1.036 355 V CB -0.960 30.637 31.823 -0.377 0.000 0.664 355 V HN 0.096 nan 8.190 nan 0.000 0.453 356 M N 0.589 120.040 119.600 -0.249 0.000 2.349 356 M HA -0.016 4.464 4.480 -0.000 0.000 0.266 356 M C 2.339 178.515 176.300 -0.208 0.000 1.076 356 M CA 1.649 56.830 55.300 -0.197 0.000 1.126 356 M CB -1.058 31.454 32.600 -0.147 0.000 1.392 356 M HN 0.595 nan 8.290 nan 0.000 0.440 357 S N 0.726 116.118 115.700 -0.513 0.000 2.561 357 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 357 S C 0.762 175.130 174.600 -0.387 0.000 0.977 357 S CA 0.647 58.479 58.200 -0.613 0.000 0.926 357 S CB -0.977 61.358 63.200 -1.443 0.000 0.769 357 S HN 0.720 nan 8.310 nan 0.000 0.533 358 N N -0.495 118.023 118.700 -0.303 0.000 2.553 358 N HA 0.279 5.019 4.740 -0.000 0.000 0.298 358 N C -0.910 174.526 175.510 -0.122 0.000 1.596 358 N CA -0.546 52.391 53.050 -0.188 0.000 0.910 358 N CB 1.004 39.380 38.487 -0.185 0.000 1.336 358 N HN 0.050 nan 8.380 nan 0.000 0.497 359 S N 1.271 116.935 115.700 -0.060 0.000 2.062 359 S HA 0.304 4.774 4.470 -0.000 0.000 0.163 359 S C -2.572 172.100 174.600 0.119 0.000 1.612 359 S CA -0.817 57.388 58.200 0.008 0.000 1.251 359 S CB 0.868 64.052 63.200 -0.027 0.000 1.174 359 S HN 0.331 nan 8.310 nan 0.000 0.428 360 P HA 0.257 nan 4.420 nan 0.000 0.218 360 P C -0.901 176.449 177.300 0.084 0.000 1.793 360 P CA -0.317 62.815 63.100 0.054 0.000 0.941 360 P CB -0.414 31.286 31.700 -0.000 0.000 1.919 361 N N 2.770 121.555 118.700 0.140 0.000 2.446 361 N HA 0.280 5.020 4.740 -0.000 0.000 0.265 361 N C -0.009 175.594 175.510 0.154 0.000 0.975 361 N CA -0.350 52.772 53.050 0.119 0.000 0.928 361 N CB 1.436 39.979 38.487 0.093 0.000 1.160 361 N HN 0.276 nan 8.380 nan 0.000 0.495 362 N N -1.580 117.198 118.700 0.130 0.000 3.344 362 N HA 0.149 4.889 4.740 -0.000 0.000 0.296 362 N C 0.289 175.854 175.510 0.091 0.000 1.571 362 N CA -0.868 52.264 53.050 0.137 0.000 0.844 362 N CB 0.371 38.962 38.487 0.173 0.000 1.718 362 N HN -0.047 nan 8.380 nan 0.000 0.589 363 V N 0.182 120.125 119.914 0.048 0.000 2.380 363 V HA -0.125 3.995 4.120 -0.000 0.000 0.251 363 V C 1.682 177.793 176.094 0.028 0.000 1.063 363 V CA 1.789 64.079 62.300 -0.016 0.000 1.055 363 V CB -0.962 30.725 31.823 -0.226 0.000 0.657 363 V HN 0.542 nan 8.190 nan 0.000 0.455 364 L N 1.184 122.440 121.223 0.054 0.000 2.217 364 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 364 L C 1.916 178.835 176.870 0.081 0.000 1.107 364 L CA 1.749 56.638 54.840 0.081 0.000 0.783 364 L CB -0.579 41.545 42.059 0.108 0.000 0.919 364 L HN 0.650 nan 8.230 nan 0.000 0.442 365 N N -0.625 118.122 118.700 0.078 0.000 2.159 365 N HA 0.164 4.904 4.740 -0.000 0.000 0.217 365 N C -0.060 175.492 175.510 0.069 0.000 1.223 365 N CA -0.053 53.038 53.050 0.069 0.000 0.896 365 N CB 0.553 39.075 38.487 0.059 0.000 1.064 365 N HN 0.172 nan 8.380 nan 0.000 0.518 366 I N 0.704 121.322 120.570 0.079 0.000 2.478 366 I HA 0.192 4.362 4.170 -0.000 0.000 0.287 366 I C -0.200 175.974 176.117 0.095 0.000 1.042 366 I CA -0.868 60.480 61.300 0.080 0.000 1.067 366 I CB 2.675 40.723 38.000 0.079 0.000 1.233 366 I HN 0.005 nan 8.210 nan 0.000 0.431 367 E N 4.390 124.646 120.200 0.094 0.000 2.529 367 E HA 0.107 4.457 4.350 -0.000 0.000 0.259 367 E C 1.249 177.919 176.600 0.117 0.000 0.966 367 E CA 1.281 57.746 56.400 0.108 0.000 0.937 367 E CB 0.484 30.237 29.700 0.089 0.000 0.923 367 E HN 0.911 nan 8.360 nan 0.000 0.468 368 G N 3.291 112.182 108.800 0.152 0.000 2.220 368 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.269 368 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.269 368 G C 0.382 175.377 174.900 0.157 0.000 0.977 368 G CA 0.236 45.432 45.100 0.160 0.000 0.634 368 G HN 0.730 nan 8.290 nan 0.000 0.539 369 C N 3.133 122.514 119.300 0.135 0.000 2.627 369 C HA 0.551 5.011 4.460 -0.000 0.000 0.404 369 C C 0.253 175.306 174.990 0.105 0.000 1.340 369 C CA -0.899 58.189 59.018 0.116 0.000 1.758 369 C CB 0.598 28.400 27.740 0.103 0.000 2.501 369 C HN 0.385 nan 8.230 nan 0.000 0.588 370 P HA 0.016 nan 4.420 nan 0.000 0.249 370 P C 0.477 177.816 177.300 0.066 0.000 1.229 370 P CA 0.474 63.619 63.100 0.076 0.000 0.788 370 P CB 0.033 31.797 31.700 0.106 0.000 1.072 371 S N 0.273 116.051 115.700 0.130 0.000 2.564 371 S HA 0.212 4.682 4.470 -0.000 0.000 0.278 371 S C 0.847 175.579 174.600 0.220 0.000 1.333 371 S CA -0.354 57.990 58.200 0.240 0.000 1.048 371 S CB -0.026 63.331 63.200 0.262 0.000 0.900 371 S HN 0.007 nan 8.310 nan 0.000 0.505 372 L N 4.103 125.550 121.223 0.373 0.000 2.857 372 L HA 0.296 4.636 4.340 -0.000 0.000 0.249 372 L C -0.274 176.972 176.870 0.627 0.000 1.172 372 L CA -0.350 54.708 54.840 0.363 0.000 0.980 372 L CB -0.015 42.199 42.059 0.258 0.000 1.299 372 L HN 0.711 nan 8.230 nan 0.000 0.535 373 Y N 2.320 122.896 120.300 0.461 0.000 2.632 373 Y HA -0.082 4.468 4.550 -0.000 0.000 0.329 373 Y C 1.130 177.186 175.900 0.259 0.000 1.174 373 Y CA 0.100 58.415 58.100 0.359 0.000 1.469 373 Y CB 0.074 38.598 38.460 0.106 0.000 1.242 373 Y HN 0.113 nan 8.280 nan 0.000 0.540 374 K N 3.820 124.029 120.400 -0.318 0.000 3.209 374 K HA -0.302 4.017 4.320 -0.000 0.000 0.289 374 K C -0.287 176.292 176.600 -0.034 0.000 1.191 374 K CA 0.696 56.803 56.287 -0.301 0.000 0.851 374 K CB -1.861 30.367 32.500 -0.454 0.000 1.242 374 K HN 0.553 nan 8.250 nan 0.000 0.480 375 F N 2.045 121.969 119.950 -0.043 0.000 2.572 375 F HA 0.160 4.686 4.527 -0.000 0.000 0.370 375 F C 0.343 176.081 175.800 -0.103 0.000 1.103 375 F CA 0.167 58.132 58.000 -0.058 0.000 1.286 375 F CB 0.434 39.407 39.000 -0.044 0.000 1.105 375 F HN 0.123 nan 8.300 nan 0.000 0.583 376 N N 6.791 124.909 118.700 -0.970 0.000 2.410 376 N HA 0.429 5.169 4.740 -0.000 0.000 0.287 376 N C -2.146 172.537 175.510 -1.379 0.000 1.044 376 N CA -1.876 50.601 53.050 -0.954 0.000 0.881 376 N CB 2.113 40.375 38.487 -0.376 0.000 1.405 376 N HN 0.259 nan 8.380 nan 0.000 0.490 377 P HA -0.029 nan 4.420 nan 0.000 0.223 377 P C -0.270 176.498 177.300 -0.886 0.000 1.151 377 P CA 0.799 63.136 63.100 -1.271 0.000 0.787 377 P CB 0.077 30.831 31.700 -1.577 0.000 0.788 378 F N -0.172 119.507 119.950 -0.451 0.000 2.390 378 F HA 0.372 4.899 4.527 -0.000 0.000 0.307 378 F C 1.556 177.248 175.800 -0.180 0.000 1.227 378 F CA -0.539 57.319 58.000 -0.236 0.000 1.179 378 F CB -0.471 38.468 39.000 -0.102 0.000 1.280 378 F HN -0.326 nan 8.300 nan 0.000 0.548 379 R N 0.004 120.531 120.500 0.045 0.000 3.525 379 R HA -0.116 4.223 4.340 -0.000 0.000 0.276 379 R C 0.674 176.947 176.300 -0.045 0.000 1.116 379 R CA 0.815 56.880 56.100 -0.058 0.000 0.745 379 R CB -1.987 28.241 30.300 -0.120 0.000 1.185 379 R HN 1.259 nan 8.270 nan 0.000 0.454 380 G N -2.908 105.874 108.800 -0.030 0.000 2.179 380 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 380 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 380 G C 1.209 176.111 174.900 0.004 0.000 0.977 380 G CA 0.566 45.663 45.100 -0.005 0.000 0.641 380 G HN 0.800 nan 8.290 nan 0.000 0.533 381 G N 0.760 109.522 108.800 -0.063 0.000 2.545 381 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 381 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 381 G C 1.786 176.773 174.900 0.146 0.000 1.218 381 G CA 1.695 46.763 45.100 -0.053 0.000 0.787 381 G HN 1.214 nan 8.290 nan 0.000 0.571 382 L N 0.998 122.252 121.223 0.051 0.000 2.043 382 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 382 L C 2.501 179.431 176.870 0.100 0.000 1.075 382 L CA 2.609 57.528 54.840 0.132 0.000 0.752 382 L CB -0.582 41.476 42.059 -0.001 0.000 0.891 382 L HN 0.383 nan 8.230 nan 0.000 0.432 383 N N -0.414 118.357 118.700 0.118 0.000 2.149 383 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 383 N C 1.990 177.590 175.510 0.151 0.000 1.019 383 N CA 1.689 54.853 53.050 0.189 0.000 0.857 383 N CB -0.090 38.513 38.487 0.193 0.000 0.997 383 N HN 0.308 nan 8.380 nan 0.000 0.426 384 R N -0.579 119.999 120.500 0.129 0.000 2.075 384 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 384 R C 1.922 178.298 176.300 0.127 0.000 1.126 384 R CA 1.204 57.383 56.100 0.131 0.000 0.963 384 R CB -0.344 30.031 30.300 0.125 0.000 0.858 384 R HN 0.268 nan 8.270 nan 0.000 0.435 385 I N 0.135 120.751 120.570 0.076 0.000 2.286 385 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 385 I C 2.145 178.296 176.117 0.058 0.000 1.115 385 I CA 1.175 62.473 61.300 -0.002 0.000 1.392 385 I CB -0.197 37.670 38.000 -0.222 0.000 1.065 385 I HN -0.076 nan 8.210 nan 0.000 0.418 386 V N 0.183 120.068 119.914 -0.049 0.000 2.343 386 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 386 V C 2.339 178.395 176.094 -0.065 0.000 1.051 386 V CA 1.825 64.011 62.300 -0.189 0.000 1.036 386 V CB -0.723 30.772 31.823 -0.547 0.000 0.654 386 V HN 0.457 nan 8.190 nan 0.000 0.451 387 E N -1.166 119.062 120.200 0.047 0.000 2.085 387 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 387 E C 1.931 178.615 176.600 0.139 0.000 0.994 387 E CA 1.768 58.229 56.400 0.102 0.000 0.801 387 E CB -0.259 29.524 29.700 0.137 0.000 0.743 387 E HN 0.792 nan 8.360 nan 0.000 0.453 388 W N 1.623 122.923 121.300 -0.001 0.000 2.335 388 W HA -0.196 4.464 4.660 -0.000 0.000 0.311 388 W C 1.881 178.415 176.519 0.025 0.000 1.213 388 W CA 1.562 58.920 57.345 0.021 0.000 1.274 388 W CB -0.176 29.301 29.460 0.028 0.000 1.148 388 W HN -0.067 nan 8.180 nan 0.000 0.498 389 I N 0.298 121.049 120.570 0.301 0.000 2.179 389 I HA -0.356 3.814 4.170 -0.000 0.000 0.242 389 I C 2.415 178.503 176.117 -0.048 0.000 1.088 389 I CA 1.406 62.775 61.300 0.114 0.000 1.357 389 I CB -0.898 37.165 38.000 0.104 0.000 1.051 389 I HN 0.021 nan 8.210 nan 0.000 0.409 390 L N 0.821 122.021 121.223 -0.038 0.000 2.083 390 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 390 L C 1.646 178.482 176.870 -0.057 0.000 1.083 390 L CA 0.134 54.949 54.840 -0.042 0.000 0.752 390 L CB -0.627 41.423 42.059 -0.016 0.000 0.899 390 L HN 0.219 nan 8.230 nan 0.000 0.433 391 A N 0.763 123.533 122.820 -0.083 0.000 2.587 391 A HA -0.003 4.317 4.320 -0.000 0.000 0.233 391 A C -1.284 176.225 177.584 -0.125 0.000 1.049 391 A CA -0.556 51.418 52.037 -0.105 0.000 0.754 391 A CB -0.395 18.514 19.000 -0.151 0.000 0.977 391 A HN 0.099 nan 8.150 nan 0.000 0.509 392 P HA -0.013 nan 4.420 nan 0.000 0.229 392 P C -0.005 177.236 177.300 -0.099 0.000 1.160 392 P CA 0.526 63.579 63.100 -0.077 0.000 0.777 392 P CB -0.025 31.645 31.700 -0.051 0.000 0.814 393 E N 1.578 121.698 120.200 -0.134 0.000 2.529 393 E HA 0.055 4.405 4.350 -0.000 0.000 0.259 393 E C 0.493 177.000 176.600 -0.154 0.000 0.966 393 E CA 0.831 57.146 56.400 -0.142 0.000 0.937 393 E CB -0.178 29.417 29.700 -0.175 0.000 0.923 393 E HN 0.451 nan 8.360 nan 0.000 0.468 394 E N 1.391 121.524 120.200 -0.111 0.000 2.401 394 E HA 0.420 4.770 4.350 -0.000 0.000 0.283 394 E C -2.722 173.807 176.600 -0.119 0.000 1.053 394 E CA -1.847 54.498 56.400 -0.092 0.000 0.842 394 E CB 0.226 29.883 29.700 -0.072 0.000 1.222 394 E HN 0.120 nan 8.360 nan 0.000 0.429 395 P HA 0.208 nan 4.420 nan 0.000 0.272 395 P C -1.276 176.123 177.300 0.165 0.000 1.223 395 P CA -0.339 62.793 63.100 0.054 0.000 0.784 395 P CB 0.411 32.185 31.700 0.124 0.000 0.923 396 K N -0.064 120.520 120.400 0.305 0.000 2.536 396 K HA 0.894 5.214 4.320 -0.000 0.000 0.269 396 K C -1.703 175.210 176.600 0.521 0.000 0.965 396 K CA -1.197 55.297 56.287 0.345 0.000 0.860 396 K CB 2.110 34.626 32.500 0.026 0.000 1.423 396 K HN 0.375 nan 8.250 nan 0.000 0.438 397 A N 1.365 124.528 122.820 0.571 0.000 2.498 397 A HA 0.772 5.092 4.320 -0.000 0.000 0.298 397 A C -1.779 175.958 177.584 0.255 0.000 1.075 397 A CA -0.788 51.453 52.037 0.340 0.000 0.714 397 A CB 1.365 20.478 19.000 0.188 0.000 1.299 397 A HN 0.410 nan 8.150 nan 0.000 0.407 398 L N 0.668 121.941 121.223 0.082 0.000 2.370 398 L HA 0.779 5.119 4.340 -0.000 0.000 0.266 398 L C -0.484 176.409 176.870 0.039 0.000 1.002 398 L CA -0.657 54.181 54.840 -0.004 0.000 0.818 398 L CB 1.968 43.975 42.059 -0.086 0.000 1.325 398 L HN 0.716 nan 8.230 nan 0.000 0.418 399 V N 0.481 120.428 119.914 0.055 0.000 2.789 399 V HA 0.634 4.754 4.120 -0.000 0.000 0.311 399 V C -1.588 174.638 176.094 0.220 0.000 1.073 399 V CA -0.919 61.375 62.300 -0.010 0.000 0.921 399 V CB 1.930 33.591 31.823 -0.270 0.000 1.009 399 V HN 0.662 nan 8.190 nan 0.000 0.426 400 Y N 3.110 123.434 120.300 0.042 0.000 2.298 400 Y HA 0.641 5.191 4.550 -0.000 0.000 0.322 400 Y C 0.459 176.408 175.900 0.083 0.000 1.138 400 Y CA 0.468 58.735 58.100 0.279 0.000 1.127 400 Y CB 1.285 39.974 38.460 0.382 0.000 1.178 400 Y HN 1.592 nan 8.280 nan 0.000 0.428 401 A N 3.324 125.971 122.820 -0.289 0.000 5.318 401 A HA -0.383 3.937 4.320 -0.000 0.000 0.329 401 A C 1.211 178.634 177.584 -0.267 0.000 1.789 401 A CA 2.147 53.900 52.037 -0.475 0.000 0.711 401 A CB -1.668 17.147 19.000 -0.308 0.000 1.398 401 A HN 1.021 nan 8.150 nan 0.000 0.392 402 D N 1.382 121.707 120.400 -0.125 0.000 2.323 402 D HA 0.104 4.744 4.640 -0.000 0.000 0.239 402 D C -0.105 176.127 176.300 -0.114 0.000 1.129 402 D CA 0.423 54.356 54.000 -0.113 0.000 0.865 402 D CB -0.923 39.843 40.800 -0.056 0.000 0.913 402 D HN 0.467 nan 8.370 nan 0.000 0.517 403 N N 0.734 119.363 118.700 -0.117 0.000 2.392 403 N HA 0.392 5.132 4.740 -0.000 0.000 0.283 403 N C -0.651 174.625 175.510 -0.390 0.000 1.003 403 N CA -0.489 52.405 53.050 -0.260 0.000 0.892 403 N CB 2.332 40.705 38.487 -0.190 0.000 1.193 403 N HN 0.063 nan 8.380 nan 0.000 0.487 404 I N 2.576 122.822 120.570 -0.539 0.000 2.418 404 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 404 I C -1.058 174.652 176.117 -0.678 0.000 1.008 404 I CA -0.705 60.296 61.300 -0.498 0.000 1.104 404 I CB 1.025 38.778 38.000 -0.411 0.000 1.264 404 I HN 0.343 nan 8.210 nan 0.000 0.438 405 Y N 6.601 126.708 120.300 -0.321 0.000 2.331 405 Y HA 0.628 5.178 4.550 -0.000 0.000 0.338 405 Y C -0.037 175.581 175.900 -0.470 0.000 0.976 405 Y CA -0.620 57.146 58.100 -0.555 0.000 1.137 405 Y CB 1.237 39.319 38.460 -0.630 0.000 1.172 405 Y HN 0.315 nan 8.280 nan 0.000 0.478 406 I N 4.023 124.365 120.570 -0.381 0.000 2.509 406 I HA 0.431 4.600 4.170 -0.000 0.000 0.293 406 I C -0.983 175.155 176.117 0.035 0.000 1.020 406 I CA -1.252 59.951 61.300 -0.161 0.000 1.088 406 I CB 2.127 39.913 38.000 -0.357 0.000 1.267 406 I HN 0.378 nan 8.210 nan 0.000 0.430 407 V N 6.105 126.160 119.914 0.235 0.000 2.398 407 V HA 0.569 4.688 4.120 -0.000 0.000 0.286 407 V C -1.192 175.102 176.094 0.334 0.000 1.026 407 V CA 0.062 62.544 62.300 0.304 0.000 0.868 407 V CB 1.313 33.320 31.823 0.307 0.000 0.982 407 V HN 0.797 nan 8.190 nan 0.000 0.443 408 H N 4.026 123.265 119.070 0.281 0.000 2.947 408 H HA 0.356 4.912 4.556 -0.000 0.000 0.354 408 H C 0.126 175.587 175.328 0.222 0.000 1.085 408 H CA 0.345 56.551 56.048 0.263 0.000 1.253 408 H CB 2.041 31.975 29.762 0.287 0.000 1.757 408 H HN 1.011 nan 8.280 nan 0.000 0.523 409 S N 3.721 119.596 115.700 0.291 0.000 3.477 409 S HA -0.292 4.177 4.470 -0.000 0.000 0.371 409 S C 0.777 175.474 174.600 0.162 0.000 0.965 409 S CA 1.016 59.355 58.200 0.233 0.000 1.239 409 S CB -1.517 61.878 63.200 0.325 0.000 0.918 409 S HN 0.908 nan 8.310 nan 0.000 0.498 410 N N -0.747 118.023 118.700 0.116 0.000 2.714 410 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 410 N C -0.539 175.016 175.510 0.075 0.000 1.117 410 N CA 1.740 54.838 53.050 0.080 0.000 0.719 410 N CB -1.240 37.277 38.487 0.049 0.000 1.081 410 N HN 0.754 nan 8.380 nan 0.000 0.557 411 T N 0.089 114.699 114.554 0.092 0.000 2.863 411 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 411 T C -0.797 173.877 174.700 -0.043 0.000 1.009 411 T CA -0.632 61.434 62.100 -0.056 0.000 0.989 411 T CB 1.478 70.206 68.868 -0.234 0.000 1.004 411 T HN 0.309 nan 8.240 nan 0.000 0.455 412 W N 4.681 125.817 121.300 -0.274 0.000 2.361 412 W HA 0.506 5.166 4.660 -0.000 0.000 0.309 412 W C -2.117 174.225 176.519 -0.296 0.000 1.122 412 W CA -0.941 56.317 57.345 -0.145 0.000 1.208 412 W CB 0.587 30.017 29.460 -0.050 0.000 1.246 412 W HN 0.660 nan 8.180 nan 0.000 0.490 413 Y N 4.086 124.103 120.300 -0.470 0.000 2.328 413 Y HA 0.189 4.739 4.550 -0.000 0.000 0.336 413 Y C 0.443 175.954 175.900 -0.647 0.000 0.960 413 Y CA -0.550 57.279 58.100 -0.451 0.000 1.134 413 Y CB 1.941 40.157 38.460 -0.406 0.000 1.166 413 Y HN 0.254 nan 8.280 nan 0.000 0.464 414 S N 4.981 120.517 115.700 -0.274 0.000 2.429 414 S HA 0.688 5.157 4.470 -0.000 0.000 0.302 414 S C -0.799 173.662 174.600 -0.231 0.000 1.115 414 S CA -0.358 57.696 58.200 -0.243 0.000 1.095 414 S CB -0.145 63.098 63.200 0.071 0.000 0.987 414 S HN 0.564 nan 8.310 nan 0.000 0.474 415 I N 4.162 124.511 120.570 -0.368 0.000 2.465 415 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 415 I C -0.784 175.183 176.117 -0.250 0.000 1.014 415 I CA -0.697 60.437 61.300 -0.277 0.000 1.093 415 I CB 2.049 39.835 38.000 -0.358 0.000 1.267 415 I HN 0.478 nan 8.210 nan 0.000 0.431 416 D N 6.391 126.723 120.400 -0.113 0.000 2.248 416 D HA 0.452 5.091 4.640 -0.000 0.000 0.246 416 D C -0.365 175.940 176.300 0.008 0.000 1.027 416 D CA -0.386 53.573 54.000 -0.069 0.000 0.853 416 D CB 2.413 43.199 40.800 -0.023 0.000 1.243 416 D HN 0.267 nan 8.370 nan 0.000 0.462 417 L N 1.400 122.619 121.223 -0.007 0.000 2.410 417 L HA 0.100 4.440 4.340 -0.000 0.000 0.273 417 L C 1.130 178.019 176.870 0.032 0.000 1.144 417 L CA -0.070 54.796 54.840 0.044 0.000 0.863 417 L CB 0.226 42.277 42.059 -0.013 0.000 1.140 417 L HN 0.341 nan 8.230 nan 0.000 0.463 418 E N 5.231 125.456 120.200 0.042 0.000 2.168 418 E HA -0.032 4.318 4.350 -0.000 0.000 0.254 418 E C -0.517 176.089 176.600 0.009 0.000 1.228 418 E CA -0.365 56.045 56.400 0.018 0.000 0.956 418 E CB 0.049 29.746 29.700 -0.005 0.000 1.031 418 E HN 0.343 nan 8.360 nan 0.000 0.441 419 K N 2.895 123.306 120.400 0.019 0.000 5.587 419 K HA -0.237 4.083 4.320 -0.000 0.000 0.436 419 K C 0.902 177.502 176.600 0.001 0.000 1.020 419 K CA 0.366 56.666 56.287 0.022 0.000 1.212 419 K CB -1.157 31.362 32.500 0.032 0.000 1.905 419 K HN 0.801 nan 8.250 nan 0.000 0.351 420 G N 2.734 111.529 108.800 -0.008 0.000 2.628 420 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.217 420 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.217 420 G C 1.110 175.980 174.900 -0.049 0.000 1.240 420 G CA 1.218 46.293 45.100 -0.042 0.000 0.792 420 G HN 0.710 nan 8.290 nan 0.000 0.593 421 E N 0.786 120.970 120.200 -0.027 0.000 2.108 421 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 421 E C 2.792 179.374 176.600 -0.030 0.000 1.022 421 E CA 1.637 58.018 56.400 -0.032 0.000 0.823 421 E CB -0.576 29.120 29.700 -0.006 0.000 0.744 421 E HN 0.425 nan 8.360 nan 0.000 0.456 422 A N 1.067 123.886 122.820 -0.001 0.000 1.986 422 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 422 A C 1.810 179.392 177.584 -0.002 0.000 1.171 422 A CA 1.703 53.750 52.037 0.018 0.000 0.640 422 A CB -0.489 18.530 19.000 0.032 0.000 0.811 422 A HN 0.196 nan 8.150 nan 0.000 0.451 423 N N -0.680 117.997 118.700 -0.037 0.000 2.331 423 N HA -0.069 4.671 4.740 -0.000 0.000 0.180 423 N C 0.716 176.178 175.510 -0.081 0.000 1.019 423 N CA 0.624 53.637 53.050 -0.061 0.000 0.881 423 N CB -0.591 37.837 38.487 -0.100 0.000 0.972 423 N HN 0.485 nan 8.380 nan 0.000 0.435 424 C N 3.072 122.312 119.300 -0.101 0.000 2.634 424 C HA 0.146 4.606 4.460 -0.000 0.000 0.418 424 C C 1.389 176.411 174.990 0.053 0.000 1.373 424 C CA -0.210 58.754 59.018 -0.091 0.000 1.756 424 C CB -0.973 26.711 27.740 -0.092 0.000 2.589 424 C HN 0.457 nan 8.230 nan 0.000 0.602 425 T N 3.528 118.237 114.554 0.258 0.000 2.936 425 T HA 0.422 4.772 4.350 -0.000 0.000 0.282 425 T C 1.172 175.928 174.700 0.092 0.000 1.003 425 T CA -0.801 61.393 62.100 0.157 0.000 1.005 425 T CB 0.829 69.771 68.868 0.122 0.000 1.097 425 T HN 0.774 nan 8.240 nan 0.000 0.532 426 R N 0.387 120.902 120.500 0.026 0.000 2.096 426 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 426 R C 2.267 178.584 176.300 0.028 0.000 1.127 426 R CA 1.298 57.405 56.100 0.011 0.000 0.968 426 R CB -0.511 29.786 30.300 -0.005 0.000 0.861 426 R HN 0.576 nan 8.270 nan 0.000 0.440 427 Q N -0.119 119.678 119.800 -0.005 0.000 2.167 427 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 427 Q C 1.912 177.896 176.000 -0.027 0.000 0.970 427 Q CA 1.125 56.920 55.803 -0.014 0.000 0.855 427 Q CB -0.189 28.484 28.738 -0.108 0.000 0.911 427 Q HN 0.485 nan 8.270 nan 0.000 0.438 428 H N -0.346 118.724 119.070 0.001 0.000 2.319 428 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 428 H C 1.920 177.255 175.328 0.012 0.000 1.092 428 H CA 1.698 57.734 56.048 -0.021 0.000 1.302 428 H CB -0.252 29.475 29.762 -0.058 0.000 1.373 428 H HN 0.312 nan 8.280 nan 0.000 0.497 429 M N 1.251 120.929 119.600 0.130 0.000 2.175 429 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 429 M C 2.571 178.915 176.300 0.072 0.000 1.063 429 M CA 1.606 56.949 55.300 0.071 0.000 1.119 429 M CB -0.030 32.581 32.600 0.019 0.000 1.377 429 M HN 0.309 nan 8.290 nan 0.000 0.415 430 Q N -0.302 119.549 119.800 0.086 0.000 2.170 430 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 430 Q C 1.753 177.817 176.000 0.105 0.000 0.976 430 Q CA 1.565 57.410 55.803 0.069 0.000 0.858 430 Q CB -0.626 28.159 28.738 0.078 0.000 0.907 430 Q HN 0.560 nan 8.270 nan 0.000 0.433 431 A N 1.547 124.523 122.820 0.260 0.000 1.933 431 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 431 A C 2.418 180.155 177.584 0.254 0.000 1.175 431 A CA 1.618 53.854 52.037 0.331 0.000 0.628 431 A CB -0.884 18.279 19.000 0.271 0.000 0.814 431 A HN 0.580 nan 8.150 nan 0.000 0.444 432 A N -0.916 122.006 122.820 0.170 0.000 1.898 432 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 432 A C 2.154 179.844 177.584 0.177 0.000 1.181 432 A CA 1.883 54.015 52.037 0.159 0.000 0.620 432 A CB -0.451 18.604 19.000 0.093 0.000 0.819 432 A HN 0.411 nan 8.150 nan 0.000 0.442 433 M N -1.727 117.940 119.600 0.111 0.000 2.086 433 M HA -0.114 4.365 4.480 -0.000 0.000 0.261 433 M C 2.183 178.504 176.300 0.034 0.000 1.067 433 M CA 1.497 56.829 55.300 0.054 0.000 1.116 433 M CB -1.579 31.016 32.600 -0.009 0.000 1.348 433 M HN 0.645 nan 8.290 nan 0.000 0.407 434 Y N 0.083 120.329 120.300 -0.090 0.000 2.165 434 Y HA -0.327 4.223 4.550 -0.000 0.000 0.286 434 Y C 2.548 178.462 175.900 0.024 0.000 1.155 434 Y CA 1.976 60.007 58.100 -0.115 0.000 1.164 434 Y CB -0.787 37.514 38.460 -0.264 0.000 0.978 434 Y HN 0.254 nan 8.280 nan 0.000 0.513 435 Y N 0.106 120.477 120.300 0.119 0.000 2.114 435 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 435 Y C 2.234 178.107 175.900 -0.045 0.000 1.143 435 Y CA 2.019 60.144 58.100 0.041 0.000 1.135 435 Y CB -0.378 38.139 38.460 0.095 0.000 0.980 435 Y HN 0.087 nan 8.280 nan 0.000 0.499 436 I N 0.408 120.950 120.570 -0.046 0.000 2.208 436 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 436 I C 2.382 178.463 176.117 -0.059 0.000 1.097 436 I CA 1.522 62.764 61.300 -0.097 0.000 1.363 436 I CB -1.417 36.635 38.000 0.087 0.000 1.051 436 I HN 0.397 nan 8.210 nan 0.000 0.413 437 L N 0.313 121.509 121.223 -0.044 0.000 2.027 437 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 437 L C 2.733 179.585 176.870 -0.030 0.000 1.074 437 L CA 2.006 56.831 54.840 -0.024 0.000 0.745 437 L CB -1.069 40.718 42.059 -0.452 0.000 0.898 437 L HN 0.347 nan 8.230 nan 0.000 0.433 438 T N -1.992 112.417 114.554 -0.241 0.000 2.867 438 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 438 T C 1.742 176.327 174.700 -0.192 0.000 1.057 438 T CA 0.757 62.725 62.100 -0.219 0.000 1.136 438 T CB -0.168 68.430 68.868 -0.450 0.000 0.874 438 T HN 0.392 nan 8.240 nan 0.000 0.466 439 R N 0.317 120.619 120.500 -0.331 0.000 2.373 439 R HA 0.395 4.735 4.340 -0.000 0.000 0.221 439 R C 2.443 178.554 176.300 -0.315 0.000 0.893 439 R CA 0.601 56.505 56.100 -0.327 0.000 1.049 439 R CB -0.193 29.855 30.300 -0.419 0.000 1.119 439 R HN 0.458 nan 8.270 nan 0.000 0.535 440 G N 0.551 109.144 108.800 -0.344 0.000 2.556 440 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.209 440 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.209 440 G C 0.180 174.777 174.900 -0.504 0.000 1.159 440 G CA -0.313 44.510 45.100 -0.462 0.000 0.828 440 G HN 0.237 nan 8.290 nan 0.000 0.553 441 W N 2.104 123.349 121.300 -0.091 0.000 2.987 441 W HA 0.673 5.333 4.660 -0.000 0.000 0.441 441 W C -0.069 176.497 176.519 0.077 0.000 0.853 441 W CA -0.457 56.891 57.345 0.005 0.000 2.222 441 W CB 0.396 29.884 29.460 0.046 0.000 1.139 441 W HN -0.075 nan 8.180 nan 0.000 0.819 442 S N 0.384 116.153 115.700 0.116 0.000 2.540 442 S HA 0.165 4.635 4.470 -0.000 0.000 0.275 442 S C -1.567 173.029 174.600 -0.006 0.000 1.123 442 S CA -0.732 57.507 58.200 0.065 0.000 0.907 442 S CB 2.250 65.481 63.200 0.052 0.000 1.081 442 S HN -0.013 nan 8.310 nan 0.000 0.476 443 D N 1.400 121.793 120.400 -0.012 0.000 2.454 443 D HA 0.415 5.055 4.640 -0.000 0.000 0.225 443 D C 0.690 176.980 176.300 -0.017 0.000 1.081 443 D CA -0.047 53.940 54.000 -0.022 0.000 0.864 443 D CB -0.407 40.380 40.800 -0.022 0.000 1.040 443 D HN 0.719 nan 8.370 nan 0.000 0.517 444 N N 2.469 121.162 118.700 -0.011 0.000 2.946 444 N HA -0.281 4.459 4.740 -0.000 0.000 0.223 444 N C 0.872 176.389 175.510 0.013 0.000 0.850 444 N CA 0.912 53.965 53.050 0.005 0.000 1.057 444 N CB -0.641 37.853 38.487 0.011 0.000 1.020 444 N HN 0.600 nan 8.380 nan 0.000 0.616 445 G N -0.616 108.181 108.800 -0.006 0.000 2.870 445 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 445 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 445 G C -0.881 173.977 174.900 -0.069 0.000 0.973 445 G CA -0.076 45.014 45.100 -0.016 0.000 0.807 445 G HN 0.274 nan 8.290 nan 0.000 0.573 446 D N 2.985 123.345 120.400 -0.066 0.000 2.313 446 D HA 0.354 4.994 4.640 -0.000 0.000 0.239 446 D C -2.203 174.017 176.300 -0.133 0.000 1.142 446 D CA -0.946 52.990 54.000 -0.108 0.000 0.847 446 D CB 2.065 42.819 40.800 -0.077 0.000 1.082 446 D HN 0.094 nan 8.370 nan 0.000 0.480 447 P HA -0.028 nan 4.420 nan 0.000 0.264 447 P C 0.025 177.105 177.300 -0.366 0.000 1.193 447 P CA -0.262 62.523 63.100 -0.525 0.000 0.763 447 P CB 0.658 31.707 31.700 -1.085 0.000 0.810 448 M N 4.819 124.349 119.600 -0.116 0.000 2.989 448 M HA 0.306 4.786 4.480 -0.000 0.000 0.307 448 M C -1.013 175.350 176.300 0.105 0.000 1.224 448 M CA -0.640 54.679 55.300 0.032 0.000 0.984 448 M CB -0.962 31.743 32.600 0.175 0.000 1.264 448 M HN 0.236 nan 8.290 nan 0.000 0.525 449 F N -2.671 117.261 119.950 -0.031 0.000 2.641 449 F HA 0.632 5.159 4.527 -0.000 0.000 0.308 449 F C -0.353 175.444 175.800 -0.004 0.000 1.105 449 F CA -1.703 56.242 58.000 -0.091 0.000 0.964 449 F CB 0.537 39.444 39.000 -0.155 0.000 1.294 449 F HN -0.217 nan 8.300 nan 0.000 0.442 450 N N 1.320 120.180 118.700 0.267 0.000 2.307 450 N HA 0.034 4.774 4.740 -0.000 0.000 0.230 450 N C 0.825 176.524 175.510 0.315 0.000 1.297 450 N CA 0.021 53.214 53.050 0.237 0.000 0.884 450 N CB 0.514 39.177 38.487 0.294 0.000 1.115 450 N HN 0.744 nan 8.380 nan 0.000 0.436 451 Q N 0.031 119.936 119.800 0.175 0.000 2.378 451 Q HA 0.059 4.399 4.340 -0.000 0.000 0.205 451 Q C 1.297 177.369 176.000 0.120 0.000 0.954 451 Q CA 1.032 56.931 55.803 0.159 0.000 0.901 451 Q CB -0.261 28.527 28.738 0.083 0.000 0.981 451 Q HN 0.652 nan 8.270 nan 0.000 0.483 452 T N -1.101 113.503 114.554 0.084 0.000 2.701 452 T HA -0.148 4.202 4.350 -0.000 0.000 0.263 452 T C 1.088 175.766 174.700 -0.037 0.000 1.040 452 T CA 1.330 63.408 62.100 -0.036 0.000 1.147 452 T CB -0.396 68.391 68.868 -0.135 0.000 0.865 452 T HN 0.441 nan 8.240 nan 0.000 0.426 453 W N 1.301 122.623 121.300 0.037 0.000 2.402 453 W HA 0.110 4.770 4.660 -0.000 0.000 0.286 453 W C 2.744 179.270 176.519 0.011 0.000 1.221 453 W CA 0.573 57.927 57.345 0.015 0.000 1.257 453 W CB -0.357 29.054 29.460 -0.083 0.000 1.120 453 W HN 0.241 nan 8.180 nan 0.000 0.551 454 A N -0.799 122.167 122.820 0.244 0.000 1.930 454 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 454 A C 1.887 179.514 177.584 0.072 0.000 1.175 454 A CA 2.195 54.284 52.037 0.087 0.000 0.627 454 A CB -1.117 18.036 19.000 0.255 0.000 0.815 454 A HN 0.189 nan 8.150 nan 0.000 0.443 455 T N -1.286 113.326 114.554 0.095 0.000 2.812 455 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 455 T C 1.563 176.303 174.700 0.066 0.000 1.042 455 T CA 1.363 63.499 62.100 0.059 0.000 1.140 455 T CB -0.340 68.551 68.868 0.038 0.000 0.870 455 T HN 0.474 nan 8.240 nan 0.000 0.445 456 F N 2.174 122.094 119.950 -0.049 0.000 2.095 456 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 456 F C 2.335 178.134 175.800 -0.001 0.000 1.104 456 F CA 1.248 59.225 58.000 -0.038 0.000 1.232 456 F CB -0.594 38.322 39.000 -0.141 0.000 0.987 456 F HN 0.139 nan 8.300 nan 0.000 0.475 457 A N 0.124 122.960 122.820 0.027 0.000 1.873 457 A HA -0.127 4.192 4.320 -0.000 0.000 0.215 457 A C 2.144 179.648 177.584 -0.133 0.000 1.186 457 A CA 1.806 53.798 52.037 -0.075 0.000 0.616 457 A CB -0.518 18.475 19.000 -0.012 0.000 0.823 457 A HN 0.414 nan 8.150 nan 0.000 0.442 458 M N -0.804 118.740 119.600 -0.093 0.000 2.394 458 M HA 0.097 4.577 4.480 -0.000 0.000 0.266 458 M C 0.666 176.929 176.300 -0.061 0.000 1.098 458 M CA 0.912 56.162 55.300 -0.084 0.000 1.149 458 M CB -0.814 31.742 32.600 -0.073 0.000 1.369 458 M HN 0.368 nan 8.290 nan 0.000 0.450 459 N N -0.742 117.919 118.700 -0.066 0.000 2.166 459 N HA 0.294 5.034 4.740 -0.000 0.000 0.213 459 N C 1.362 176.833 175.510 -0.065 0.000 1.222 459 N CA 0.334 53.361 53.050 -0.038 0.000 0.900 459 N CB 1.631 40.118 38.487 0.000 0.000 1.055 459 N HN 0.298 nan 8.380 nan 0.000 0.515 460 I N -0.111 120.364 120.570 -0.158 0.000 3.570 460 I HA 0.190 4.360 4.170 -0.000 0.000 0.270 460 I C 2.097 178.004 176.117 -0.349 0.000 1.162 460 I CA 0.266 61.454 61.300 -0.187 0.000 1.413 460 I CB -0.055 37.910 38.000 -0.059 0.000 1.437 460 I HN -0.114 nan 8.210 nan 0.000 0.457 461 A N 2.070 124.490 122.820 -0.665 0.000 1.908 461 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 461 A C -0.207 177.220 177.584 -0.261 0.000 1.181 461 A CA 1.950 53.629 52.037 -0.598 0.000 0.627 461 A CB -1.957 16.610 19.000 -0.721 0.000 0.818 461 A HN 0.247 nan 8.150 nan 0.000 0.445 462 P HA -0.110 nan 4.420 nan 0.000 0.216 462 P C 1.551 178.796 177.300 -0.092 0.000 1.150 462 P CA 1.881 64.917 63.100 -0.106 0.000 0.837 462 P CB -0.088 31.575 31.700 -0.062 0.000 0.786 463 A N -0.980 121.789 122.820 -0.085 0.000 2.067 463 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 463 A C 2.093 179.662 177.584 -0.025 0.000 1.156 463 A CA 0.888 52.898 52.037 -0.045 0.000 0.683 463 A CB -1.427 17.560 19.000 -0.021 0.000 0.808 463 A HN 0.121 nan 8.150 nan 0.000 0.455 464 L N -1.364 119.833 121.223 -0.043 0.000 2.217 464 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 464 L C 1.768 178.683 176.870 0.074 0.000 1.107 464 L CA 0.774 55.629 54.840 0.024 0.000 0.783 464 L CB 0.011 42.062 42.059 -0.014 0.000 0.919 464 L HN 0.265 nan 8.230 nan 0.000 0.442 465 V N -1.592 118.275 119.914 -0.078 0.000 3.426 465 V HA 0.165 4.285 4.120 -0.000 0.000 0.279 465 V C 0.112 175.954 176.094 -0.420 0.000 1.544 465 V CA 0.042 62.166 62.300 -0.293 0.000 1.017 465 V CB 1.914 33.640 31.823 -0.162 0.000 0.821 465 V HN -0.059 nan 8.190 nan 0.000 0.432 466 V N 0.501 120.276 119.914 -0.231 0.000 2.540 466 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 466 V C 0.226 176.240 176.094 -0.134 0.000 1.035 466 V CA -0.660 61.522 62.300 -0.196 0.000 0.873 466 V CB 1.534 33.288 31.823 -0.114 0.000 0.992 466 V HN 0.379 nan 8.190 nan 0.000 0.428 467 D N 1.706 122.024 120.400 -0.137 0.000 3.039 467 D HA -0.178 4.462 4.640 -0.000 0.000 0.222 467 D C 1.278 177.520 176.300 -0.097 0.000 1.179 467 D CA 1.549 55.474 54.000 -0.125 0.000 0.880 467 D CB -0.764 39.978 40.800 -0.097 0.000 1.115 467 D HN 0.830 nan 8.370 nan 0.000 0.416 468 S N -1.175 114.499 115.700 -0.044 0.000 2.371 468 S HA 0.556 5.026 4.470 -0.000 0.000 0.159 468 S C 0.894 175.568 174.600 0.123 0.000 1.281 468 S CA 0.460 58.700 58.200 0.066 0.000 2.161 468 S CB 0.658 63.955 63.200 0.161 0.000 0.406 468 S HN 0.542 nan 8.310 nan 0.000 0.374 469 S N -0.743 115.137 115.700 0.301 0.000 2.705 469 S HA 0.740 5.210 4.470 -0.000 0.000 0.280 469 S C -0.719 174.156 174.600 0.459 0.000 1.174 469 S CA -0.492 57.897 58.200 0.314 0.000 0.823 469 S CB 0.991 64.334 63.200 0.239 0.000 1.162 469 S HN 1.777 nan 8.310 nan 0.000 0.487 470 C N 0.143 119.639 119.300 0.327 0.000 3.239 470 C HA 0.868 5.328 4.460 -0.000 0.000 0.317 470 C C -1.409 173.675 174.990 0.156 0.000 1.310 470 C CA -0.856 58.284 59.018 0.203 0.000 1.371 470 C CB 0.239 28.145 27.740 0.278 0.000 1.714 470 C HN 1.158 nan 8.230 nan 0.000 0.473 471 L N 2.589 123.862 121.223 0.084 0.000 2.298 471 L HA 0.872 5.212 4.340 -0.000 0.000 0.284 471 L C -0.836 176.137 176.870 0.172 0.000 1.013 471 L CA -0.324 54.590 54.840 0.123 0.000 0.824 471 L CB 0.969 43.096 42.059 0.115 0.000 1.221 471 L HN 0.863 nan 8.230 nan 0.000 0.418 472 I N 6.496 127.142 120.570 0.128 0.000 2.533 472 I HA 0.563 4.733 4.170 -0.000 0.000 0.290 472 I C 0.346 176.404 176.117 -0.098 0.000 1.056 472 I CA -0.386 60.972 61.300 0.095 0.000 1.057 472 I CB 1.466 39.534 38.000 0.113 0.000 1.240 472 I HN 0.931 nan 8.210 nan 0.000 0.423 473 M N 3.787 123.179 119.600 -0.346 0.000 7.319 473 M HA -0.379 4.101 4.480 -0.000 0.000 0.321 473 M C 0.474 176.462 176.300 -0.519 0.000 0.480 473 M CA 2.271 57.036 55.300 -0.891 0.000 1.311 473 M CB -1.271 30.971 32.600 -0.597 0.000 0.421 473 M HN 0.832 nan 8.290 nan 0.000 0.811 474 N N 1.513 120.079 118.700 -0.224 0.000 2.203 474 N HA 0.370 5.110 4.740 -0.000 0.000 0.207 474 N C -0.402 175.111 175.510 0.005 0.000 1.130 474 N CA 0.185 53.230 53.050 -0.008 0.000 0.861 474 N CB -0.104 38.437 38.487 0.090 0.000 1.005 474 N HN 0.511 nan 8.380 nan 0.000 0.507 475 L N 0.842 122.054 121.223 -0.019 0.000 2.292 475 L HA 0.335 4.674 4.340 -0.000 0.000 0.284 475 L C 0.019 176.924 176.870 0.059 0.000 1.065 475 L CA -0.527 54.318 54.840 0.008 0.000 0.806 475 L CB 1.330 43.389 42.059 -0.000 0.000 1.175 475 L HN -0.016 nan 8.230 nan 0.000 0.431 476 Q N 4.956 124.793 119.800 0.063 0.000 2.368 476 Q HA 0.574 4.914 4.340 -0.000 0.000 0.256 476 Q C -0.727 175.339 176.000 0.110 0.000 0.980 476 Q CA -0.248 55.616 55.803 0.102 0.000 0.887 476 Q CB 1.837 30.618 28.738 0.072 0.000 1.221 476 Q HN 0.528 nan 8.270 nan 0.000 0.458 477 I N -2.122 118.549 120.570 0.168 0.000 3.042 477 I HA 0.573 4.743 4.170 -0.000 0.000 0.310 477 I C -0.623 175.648 176.117 0.257 0.000 1.117 477 I CA -1.392 60.046 61.300 0.231 0.000 1.003 477 I CB 1.853 40.040 38.000 0.311 0.000 1.228 477 I HN 0.175 nan 8.210 nan 0.000 0.443 478 K N 1.620 122.153 120.400 0.221 0.000 2.355 478 K HA 0.257 4.577 4.320 -0.000 0.000 0.270 478 K C -0.644 176.040 176.600 0.139 0.000 1.003 478 K CA 0.073 56.354 56.287 -0.009 0.000 0.957 478 K CB 0.812 33.023 32.500 -0.481 0.000 0.939 478 K HN 0.737 nan 8.250 nan 0.000 0.482 479 T N 3.649 118.234 114.554 0.052 0.000 2.771 479 T HA 0.285 4.635 4.350 -0.000 0.000 0.281 479 T C -0.960 173.684 174.700 -0.093 0.000 0.982 479 T CA -0.389 61.793 62.100 0.136 0.000 0.978 479 T CB 0.201 69.171 68.868 0.169 0.000 0.930 479 T HN 0.249 nan 8.240 nan 0.000 0.447 480 Y N 2.168 122.483 120.300 0.026 0.000 2.335 480 Y HA 0.541 5.091 4.550 -0.000 0.000 0.339 480 Y C 1.189 177.070 175.900 -0.031 0.000 0.987 480 Y CA 0.255 58.337 58.100 -0.030 0.000 1.140 480 Y CB 1.076 39.506 38.460 -0.050 0.000 1.173 480 Y HN 1.089 nan 8.280 nan 0.000 0.486 481 G N 2.444 111.278 108.800 0.056 0.000 2.584 481 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.229 481 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.229 481 G C -0.778 174.063 174.900 -0.098 0.000 1.320 481 G CA -0.743 44.355 45.100 -0.004 0.000 0.891 481 G HN 0.669 nan 8.290 nan 0.000 0.573 482 Q N 0.353 120.082 119.800 -0.119 0.000 2.260 482 Q HA 0.521 4.861 4.340 -0.000 0.000 0.242 482 Q C 0.837 176.673 176.000 -0.273 0.000 0.932 482 Q CA 0.039 55.713 55.803 -0.215 0.000 0.891 482 Q CB 0.883 29.536 28.738 -0.142 0.000 1.222 482 Q HN 1.196 nan 8.270 nan 0.000 0.453 483 G N 1.294 109.771 108.800 -0.538 0.000 2.390 483 G HA2 0.135 4.095 3.960 -0.000 0.000 0.270 483 G HA3 0.135 4.095 3.960 -0.000 0.000 0.270 483 G C 0.554 175.422 174.900 -0.053 0.000 1.211 483 G CA -0.396 44.404 45.100 -0.501 0.000 0.842 483 G HN 0.754 nan 8.290 nan 0.000 0.519 484 S N 1.718 117.492 115.700 0.123 0.000 2.420 484 S HA -0.143 4.327 4.470 -0.000 0.000 0.237 484 S C 2.389 177.102 174.600 0.188 0.000 1.023 484 S CA 1.493 59.785 58.200 0.153 0.000 0.991 484 S CB -0.018 63.288 63.200 0.177 0.000 0.792 484 S HN 0.812 nan 8.310 nan 0.000 0.488 485 G N 1.829 110.796 108.800 0.278 0.000 2.603 485 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 485 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 485 G C 0.371 175.441 174.900 0.283 0.000 1.140 485 G CA -0.084 45.175 45.100 0.265 0.000 0.800 485 G HN 0.678 nan 8.290 nan 0.000 0.533 486 N N -0.127 118.749 118.700 0.293 0.000 2.297 486 N HA 0.323 5.063 4.740 -0.000 0.000 0.232 486 N C 1.290 176.927 175.510 0.212 0.000 1.311 486 N CA 0.488 53.707 53.050 0.282 0.000 0.897 486 N CB 0.828 39.410 38.487 0.157 0.000 1.137 486 N HN -0.048 nan 8.380 nan 0.000 0.449 487 A N -0.416 122.495 122.820 0.152 0.000 2.235 487 A HA 0.255 4.575 4.320 -0.000 0.000 0.208 487 A C 1.592 179.230 177.584 0.089 0.000 1.172 487 A CA 0.859 52.926 52.037 0.050 0.000 0.786 487 A CB -0.872 18.002 19.000 -0.210 0.000 0.804 487 A HN 0.848 nan 8.150 nan 0.000 0.479 488 A N -1.570 121.303 122.820 0.088 0.000 2.538 488 A HA 0.327 4.647 4.320 -0.000 0.000 0.269 488 A C 1.652 179.286 177.584 0.084 0.000 1.231 488 A CA 0.836 52.925 52.037 0.085 0.000 0.948 488 A CB -0.539 18.492 19.000 0.051 0.000 1.110 488 A HN 0.277 nan 8.150 nan 0.000 0.529 489 T N -0.094 114.524 114.554 0.106 0.000 2.635 489 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 489 T C 1.594 176.348 174.700 0.092 0.000 1.040 489 T CA 2.038 64.194 62.100 0.092 0.000 1.156 489 T CB -0.497 68.450 68.868 0.132 0.000 0.863 489 T HN 0.525 nan 8.240 nan 0.000 0.430 490 F N 1.744 121.711 119.950 0.028 0.000 2.069 490 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 490 F C 2.070 177.848 175.800 -0.038 0.000 1.113 490 F CA 1.243 59.238 58.000 -0.008 0.000 1.214 490 F CB -0.477 38.515 39.000 -0.014 0.000 0.978 490 F HN 0.078 nan 8.300 nan 0.000 0.474 491 I N 0.370 120.965 120.570 0.043 0.000 2.226 491 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 491 I C 2.051 178.111 176.117 -0.095 0.000 1.100 491 I CA 1.241 62.507 61.300 -0.056 0.000 1.374 491 I CB -0.759 37.274 38.000 0.054 0.000 1.057 491 I HN 0.195 nan 8.210 nan 0.000 0.413 492 N N 1.124 119.789 118.700 -0.058 0.000 2.084 492 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 492 N C 1.620 177.043 175.510 -0.145 0.000 1.030 492 N CA 1.270 54.275 53.050 -0.074 0.000 0.849 492 N CB -0.610 37.848 38.487 -0.049 0.000 1.012 492 N HN 0.364 nan 8.380 nan 0.000 0.423 493 N N 0.468 119.067 118.700 -0.168 0.000 2.084 493 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 493 N C 1.671 177.018 175.510 -0.272 0.000 1.030 493 N CA 0.760 53.686 53.050 -0.207 0.000 0.849 493 N CB -0.673 37.707 38.487 -0.179 0.000 1.012 493 N HN 0.450 nan 8.380 nan 0.000 0.423 494 H N 1.010 119.791 119.070 -0.482 0.000 2.387 494 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 494 H C 2.197 177.332 175.328 -0.322 0.000 1.099 494 H CA 1.046 56.796 56.048 -0.497 0.000 1.315 494 H CB -0.050 29.288 29.762 -0.706 0.000 1.380 494 H HN 0.171 nan 8.280 nan 0.000 0.513 495 L N -0.058 121.068 121.223 -0.162 0.000 2.044 495 L HA -0.165 4.174 4.340 -0.000 0.000 0.205 495 L C 2.252 179.001 176.870 -0.203 0.000 1.075 495 L CA 0.654 55.401 54.840 -0.157 0.000 0.747 495 L CB -0.248 41.751 42.059 -0.101 0.000 0.903 495 L HN 0.120 nan 8.230 nan 0.000 0.435 496 L N -0.081 120.998 121.223 -0.240 0.000 2.021 496 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 496 L C 2.704 179.431 176.870 -0.237 0.000 1.074 496 L CA 2.060 56.734 54.840 -0.277 0.000 0.760 496 L CB -1.202 40.678 42.059 -0.299 0.000 0.889 496 L HN 0.261 nan 8.230 nan 0.000 0.433 497 S N -1.700 113.839 115.700 -0.268 0.000 2.383 497 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 497 S C 1.884 176.327 174.600 -0.262 0.000 1.026 497 S CA 1.424 59.454 58.200 -0.283 0.000 0.981 497 S CB -0.366 62.620 63.200 -0.357 0.000 0.818 497 S HN 0.512 nan 8.310 nan 0.000 0.472 498 T N 3.298 117.692 114.554 -0.267 0.000 2.720 498 T HA -0.025 4.325 4.350 -0.000 0.000 0.268 498 T C 1.726 176.341 174.700 -0.141 0.000 1.037 498 T CA 1.054 63.041 62.100 -0.190 0.000 1.144 498 T CB -0.505 68.260 68.868 -0.171 0.000 0.864 498 T HN 0.276 nan 8.240 nan 0.000 0.444 499 L N 0.714 121.831 121.223 -0.178 0.000 2.042 499 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 499 L C 2.687 179.501 176.870 -0.094 0.000 1.076 499 L CA 1.029 55.762 54.840 -0.178 0.000 0.749 499 L CB -0.905 40.986 42.059 -0.279 0.000 0.893 499 L HN 0.166 nan 8.230 nan 0.000 0.432 500 V N -0.251 119.585 119.914 -0.130 0.000 2.287 500 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 500 V C 2.469 178.492 176.094 -0.119 0.000 1.053 500 V CA 1.432 63.637 62.300 -0.159 0.000 1.027 500 V CB -0.429 31.236 31.823 -0.264 0.000 0.646 500 V HN 0.257 nan 8.190 nan 0.000 0.447 501 L N 0.380 121.559 121.223 -0.074 0.000 2.046 501 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 501 L C 2.243 179.206 176.870 0.155 0.000 1.077 501 L CA 2.294 57.185 54.840 0.086 0.000 0.747 501 L CB -1.265 40.825 42.059 0.051 0.000 0.896 501 L HN 0.505 nan 8.230 nan 0.000 0.432 502 D N -1.266 119.177 120.400 0.072 0.000 2.104 502 D HA -0.265 4.375 4.640 -0.000 0.000 0.194 502 D C 2.171 178.518 176.300 0.078 0.000 0.994 502 D CA 1.258 55.307 54.000 0.082 0.000 0.830 502 D CB 0.123 40.992 40.800 0.116 0.000 0.959 502 D HN 0.181 nan 8.370 nan 0.000 0.452 503 Q N -1.057 118.790 119.800 0.079 0.000 2.119 503 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 503 Q C 1.562 177.588 176.000 0.042 0.000 0.972 503 Q CA 1.356 57.187 55.803 0.048 0.000 0.847 503 Q CB -0.580 28.177 28.738 0.032 0.000 0.903 503 Q HN 0.567 nan 8.270 nan 0.000 0.433 504 W N 0.882 122.085 121.300 -0.162 0.000 2.358 504 W HA -0.148 4.512 4.660 -0.000 0.000 0.303 504 W C 1.437 177.927 176.519 -0.049 0.000 1.208 504 W CA 1.694 58.947 57.345 -0.152 0.000 1.274 504 W CB -0.513 28.860 29.460 -0.146 0.000 1.138 504 W HN 0.194 nan 8.180 nan 0.000 0.515 505 N N 0.362 119.019 118.700 -0.072 0.000 2.120 505 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 505 N C 1.930 177.340 175.510 -0.166 0.000 1.024 505 N CA 1.957 54.876 53.050 -0.219 0.000 0.852 505 N CB -1.056 37.375 38.487 -0.092 0.000 1.003 505 N HN 0.270 nan 8.380 nan 0.000 0.424 506 L N 0.987 122.157 121.223 -0.087 0.000 2.131 506 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 506 L C 1.535 178.356 176.870 -0.080 0.000 1.092 506 L CA 0.821 55.616 54.840 -0.074 0.000 0.759 506 L CB -0.363 41.666 42.059 -0.051 0.000 0.903 506 L HN 0.240 nan 8.230 nan 0.000 0.435 507 M N -1.148 118.400 119.600 -0.085 0.000 2.859 507 M HA 0.322 4.802 4.480 -0.000 0.000 0.297 507 M C -0.122 176.118 176.300 -0.100 0.000 1.268 507 M CA -0.261 54.998 55.300 -0.069 0.000 1.003 507 M CB 0.333 32.916 32.600 -0.027 0.000 1.308 507 M HN -0.076 nan 8.290 nan 0.000 0.502 508 R N 0.965 121.374 120.500 -0.152 0.000 3.525 508 R HA -0.176 4.164 4.340 -0.000 0.000 0.276 508 R C -0.651 175.498 176.300 -0.252 0.000 1.116 508 R CA 0.829 56.823 56.100 -0.176 0.000 0.745 508 R CB -2.687 27.555 30.300 -0.097 0.000 1.185 508 R HN 0.781 nan 8.270 nan 0.000 0.454 509 Q N -2.556 116.939 119.800 -0.508 0.000 2.447 509 Q HA -0.193 4.147 4.340 -0.000 0.000 0.348 509 Q C -1.973 173.990 176.000 -0.062 0.000 1.421 509 Q CA 0.713 55.968 55.803 -0.914 0.000 0.978 509 Q CB -0.780 27.291 28.738 -1.111 0.000 1.191 509 Q HN 0.410 nan 8.270 nan 0.000 0.371 510 P HA -0.024 nan 4.420 nan 0.000 0.272 510 P C -0.217 177.290 177.300 0.346 0.000 1.240 510 P CA -0.082 63.202 63.100 0.306 0.000 0.791 510 P CB 0.593 32.438 31.700 0.241 0.000 0.978 511 R N 2.007 122.413 120.500 -0.156 0.000 2.489 511 R HA 0.056 4.395 4.340 -0.000 0.000 0.287 511 R C -1.428 174.571 176.300 -0.502 0.000 1.053 511 R CA -1.208 54.468 56.100 -0.708 0.000 1.036 511 R CB -0.120 29.807 30.300 -0.622 0.000 0.966 511 R HN 0.321 nan 8.270 nan 0.000 0.432 512 P HA -0.156 nan 4.420 nan 0.000 0.220 512 P C -0.052 176.734 177.300 -0.857 0.000 1.144 512 P CA 1.213 63.386 63.100 -1.545 0.000 0.800 512 P CB 0.122 30.653 31.700 -1.948 0.000 0.772 513 D N -1.601 118.471 120.400 -0.546 0.000 2.395 513 D HA 0.019 4.659 4.640 -0.000 0.000 0.226 513 D C 0.096 176.345 176.300 -0.085 0.000 1.146 513 D CA -0.197 53.680 54.000 -0.206 0.000 0.830 513 D CB -0.588 40.174 40.800 -0.063 0.000 0.958 513 D HN 0.109 nan 8.370 nan 0.000 0.501 514 S N -0.984 114.678 115.700 -0.062 0.000 2.690 514 S HA 0.301 4.771 4.470 -0.000 0.000 0.291 514 S C 0.950 175.600 174.600 0.083 0.000 1.138 514 S CA -0.774 57.437 58.200 0.018 0.000 1.013 514 S CB 2.167 65.380 63.200 0.021 0.000 1.053 514 S HN 0.016 nan 8.310 nan 0.000 0.539 515 E N 0.741 120.980 120.200 0.065 0.000 2.110 515 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 515 E C 1.478 178.133 176.600 0.092 0.000 0.988 515 E CA 1.422 57.862 56.400 0.068 0.000 0.804 515 E CB -0.176 29.549 29.700 0.040 0.000 0.745 515 E HN 0.718 nan 8.360 nan 0.000 0.458 516 E N 0.640 120.899 120.200 0.098 0.000 2.033 516 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 516 E C 1.655 178.350 176.600 0.158 0.000 1.011 516 E CA 1.127 57.591 56.400 0.107 0.000 0.815 516 E CB -0.414 29.348 29.700 0.103 0.000 0.755 516 E HN 0.222 nan 8.360 nan 0.000 0.451 517 F N 1.136 121.131 119.950 0.075 0.000 2.126 517 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 517 F C 2.169 178.088 175.800 0.198 0.000 1.096 517 F CA 1.543 59.608 58.000 0.108 0.000 1.255 517 F CB 0.044 39.047 39.000 0.005 0.000 0.997 517 F HN -0.106 nan 8.300 nan 0.000 0.479 518 K N 0.719 121.349 120.400 0.384 0.000 2.103 518 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 518 K C 2.295 178.953 176.600 0.096 0.000 1.048 518 K CA 1.592 58.036 56.287 0.262 0.000 0.930 518 K CB -0.682 31.894 32.500 0.127 0.000 0.716 518 K HN 0.352 nan 8.250 nan 0.000 0.444 519 S N 0.026 115.769 115.700 0.073 0.000 2.440 519 S HA -0.143 4.327 4.470 -0.000 0.000 0.238 519 S C 1.905 176.511 174.600 0.011 0.000 1.010 519 S CA 1.193 59.405 58.200 0.020 0.000 0.972 519 S CB -0.709 62.504 63.200 0.022 0.000 0.774 519 S HN 0.364 nan 8.310 nan 0.000 0.501 520 I N 2.789 123.380 120.570 0.035 0.000 2.335 520 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 520 I C 2.836 178.992 176.117 0.065 0.000 1.129 520 I CA 1.869 63.191 61.300 0.037 0.000 1.402 520 I CB -0.608 37.366 38.000 -0.043 0.000 1.069 520 I HN 0.614 nan 8.210 nan 0.000 0.424 521 E N 1.234 121.426 120.200 -0.013 0.000 2.077 521 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 521 E C 1.382 177.924 176.600 -0.096 0.000 0.989 521 E CA 1.502 57.804 56.400 -0.164 0.000 0.800 521 E CB -0.348 29.008 29.700 -0.572 0.000 0.746 521 E HN 0.461 nan 8.360 nan 0.000 0.452 522 D N 1.439 121.793 120.400 -0.077 0.000 2.104 522 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 522 D C 1.861 178.150 176.300 -0.019 0.000 0.994 522 D CA 1.322 55.295 54.000 -0.046 0.000 0.830 522 D CB -0.172 40.605 40.800 -0.038 0.000 0.959 522 D HN 0.167 nan 8.370 nan 0.000 0.452 523 K N -0.025 120.373 120.400 -0.004 0.000 2.152 523 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 523 K C 1.960 178.582 176.600 0.035 0.000 1.048 523 K CA 0.700 56.996 56.287 0.016 0.000 0.933 523 K CB 0.100 32.612 32.500 0.021 0.000 0.721 523 K HN 0.135 nan 8.250 nan 0.000 0.447 524 L N -2.070 119.171 121.223 0.031 0.000 2.701 524 L HA 0.243 4.583 4.340 -0.000 0.000 0.238 524 L C 0.835 177.725 176.870 0.034 0.000 1.106 524 L CA 0.135 55.002 54.840 0.044 0.000 0.898 524 L CB 0.678 42.760 42.059 0.039 0.000 1.188 524 L HN 0.305 nan 8.230 nan 0.000 0.508 525 G N 2.025 110.827 108.800 0.004 0.000 2.273 525 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 525 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 525 G C -0.039 174.848 174.900 -0.021 0.000 1.047 525 G CA 0.184 45.278 45.100 -0.009 0.000 0.869 525 G HN 0.324 nan 8.290 nan 0.000 0.502 526 I N 0.345 120.896 120.570 -0.032 0.000 2.410 526 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 526 I C -0.427 175.653 176.117 -0.062 0.000 1.009 526 I CA -1.084 60.197 61.300 -0.032 0.000 1.111 526 I CB 1.424 39.420 38.000 -0.007 0.000 1.262 526 I HN -0.034 nan 8.210 nan 0.000 0.443 527 N N 7.346 125.992 118.700 -0.089 0.000 2.514 527 N HA 0.593 5.333 4.740 -0.000 0.000 0.277 527 N C -0.859 174.613 175.510 -0.063 0.000 1.126 527 N CA 0.056 53.002 53.050 -0.174 0.000 0.978 527 N CB 0.718 39.138 38.487 -0.112 0.000 1.106 527 N HN 0.459 nan 8.380 nan 0.000 0.461 528 F N -1.508 118.421 119.950 -0.036 0.000 2.662 528 F HA 0.704 5.231 4.527 -0.000 0.000 0.312 528 F C -0.779 175.009 175.800 -0.019 0.000 1.113 528 F CA -1.318 56.661 58.000 -0.034 0.000 0.951 528 F CB 1.688 40.667 39.000 -0.035 0.000 1.344 528 F HN 0.303 nan 8.300 nan 0.000 0.462 529 K N 1.081 121.657 120.400 0.293 0.000 2.533 529 K HA 0.651 4.970 4.320 -0.000 0.000 0.272 529 K C -1.843 174.824 176.600 0.111 0.000 0.985 529 K CA -0.895 55.502 56.287 0.183 0.000 0.876 529 K CB 2.709 35.250 32.500 0.069 0.000 1.452 529 K HN 0.828 nan 8.250 nan 0.000 0.439 530 I N 2.482 123.087 120.570 0.059 0.000 2.322 530 I HA 0.025 4.195 4.170 -0.000 0.000 0.292 530 I C 1.441 177.568 176.117 0.017 0.000 1.060 530 I CA -0.248 61.053 61.300 0.002 0.000 1.309 530 I CB 1.154 39.155 38.000 0.002 0.000 1.415 530 I HN 0.800 nan 8.210 nan 0.000 0.492 531 E N 7.291 127.493 120.200 0.004 0.000 2.152 531 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 531 E C 0.480 177.104 176.600 0.040 0.000 0.983 531 E CA 0.806 57.220 56.400 0.023 0.000 0.818 531 E CB 0.494 30.206 29.700 0.021 0.000 0.758 531 E HN 0.667 nan 8.360 nan 0.000 0.467 532 R N -0.289 120.237 120.500 0.043 0.000 2.725 532 R HA 0.187 4.527 4.340 -0.000 0.000 0.254 532 R C -1.751 174.578 176.300 0.050 0.000 1.076 532 R CA -0.129 56.009 56.100 0.062 0.000 0.940 532 R CB 0.745 31.105 30.300 0.099 0.000 1.260 532 R HN 0.037 nan 8.270 nan 0.000 0.466 533 S N 3.805 119.517 115.700 0.020 0.000 2.569 533 S HA 0.719 5.188 4.470 -0.000 0.000 0.280 533 S C -0.539 174.032 174.600 -0.047 0.000 1.111 533 S CA -0.835 57.307 58.200 -0.096 0.000 0.887 533 S CB 1.783 64.829 63.200 -0.257 0.000 1.095 533 S HN 0.527 nan 8.310 nan 0.000 0.476 534 I N 2.078 122.614 120.570 -0.057 0.000 2.468 534 I HA 0.332 4.502 4.170 -0.000 0.000 0.284 534 I C -1.075 175.013 176.117 -0.048 0.000 1.038 534 I CA -0.662 60.637 61.300 -0.001 0.000 1.083 534 I CB 1.770 39.814 38.000 0.074 0.000 1.223 534 I HN 0.594 nan 8.210 nan 0.000 0.443 535 D N 4.457 124.828 120.400 -0.047 0.000 2.362 535 D HA 0.037 4.677 4.640 -0.000 0.000 0.242 535 D C 0.354 176.649 176.300 -0.008 0.000 1.132 535 D CA 0.545 54.526 54.000 -0.032 0.000 0.907 535 D CB 0.655 41.444 40.800 -0.017 0.000 1.195 535 D HN 0.557 nan 8.370 nan 0.000 0.429 536 D N 0.555 120.957 120.400 0.004 0.000 2.735 536 D HA -0.220 4.420 4.640 -0.000 0.000 0.235 536 D C 0.799 177.101 176.300 0.003 0.000 1.175 536 D CA 0.043 54.048 54.000 0.008 0.000 0.683 536 D CB -0.893 39.911 40.800 0.006 0.000 1.008 536 D HN 0.348 nan 8.370 nan 0.000 0.416 537 I N 1.102 121.679 120.570 0.012 0.000 2.252 537 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 537 I C 2.303 178.404 176.117 -0.028 0.000 1.102 537 I CA 1.520 62.819 61.300 -0.002 0.000 1.385 537 I CB -0.081 37.950 38.000 0.052 0.000 1.064 537 I HN 0.233 nan 8.210 nan 0.000 0.414 538 R N 0.136 120.629 120.500 -0.012 0.000 2.073 538 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 538 R C 2.371 178.662 176.300 -0.015 0.000 1.134 538 R CA 1.372 57.459 56.100 -0.021 0.000 0.952 538 R CB -1.201 29.092 30.300 -0.012 0.000 0.850 538 R HN 0.535 nan 8.270 nan 0.000 0.433 539 G N 1.675 110.471 108.800 -0.007 0.000 2.529 539 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.219 539 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.219 539 G C 1.255 176.153 174.900 -0.004 0.000 1.177 539 G CA 1.111 46.209 45.100 -0.004 0.000 0.773 539 G HN 0.269 nan 8.290 nan 0.000 0.573 540 K N -0.212 120.182 120.400 -0.009 0.000 2.057 540 K HA 0.081 4.401 4.320 -0.000 0.000 0.207 540 K C 2.582 179.181 176.600 -0.001 0.000 1.049 540 K CA 0.828 57.110 56.287 -0.008 0.000 0.931 540 K CB -0.299 32.191 32.500 -0.017 0.000 0.714 540 K HN 0.265 nan 8.250 nan 0.000 0.440 541 L N 0.567 121.776 121.223 -0.024 0.000 2.083 541 L HA -0.188 4.151 4.340 -0.000 0.000 0.209 541 L C 2.454 179.382 176.870 0.097 0.000 1.083 541 L CA 1.303 56.134 54.840 -0.016 0.000 0.752 541 L CB -0.291 41.678 42.059 -0.149 0.000 0.899 541 L HN 0.140 nan 8.230 nan 0.000 0.433 542 R N -0.557 119.973 120.500 0.050 0.000 2.092 542 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 542 R C 2.268 178.568 176.300 0.001 0.000 1.119 542 R CA 1.256 57.380 56.100 0.041 0.000 0.970 542 R CB -0.281 30.025 30.300 0.010 0.000 0.864 542 R HN 0.409 nan 8.270 nan 0.000 0.440 543 Q N 0.998 120.802 119.800 0.006 0.000 2.226 543 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 543 Q C 2.019 178.018 176.000 -0.003 0.000 0.975 543 Q CA 0.949 56.748 55.803 -0.006 0.000 0.866 543 Q CB 0.013 28.752 28.738 0.002 0.000 0.915 543 Q HN 0.358 nan 8.270 nan 0.000 0.440 544 L N -0.342 120.906 121.223 0.043 0.000 2.129 544 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 544 L C 2.262 179.120 176.870 -0.020 0.000 1.087 544 L CA 0.917 55.805 54.840 0.080 0.000 0.757 544 L CB -0.501 41.694 42.059 0.228 0.000 0.896 544 L HN 0.177 nan 8.230 nan 0.000 0.434 545 V N -0.462 119.318 119.914 -0.223 0.000 2.323 545 V HA -0.264 3.856 4.120 -0.000 0.000 0.244 545 V C 2.323 178.258 176.094 -0.266 0.000 1.041 545 V CA 1.446 63.380 62.300 -0.610 0.000 1.025 545 V CB -0.413 30.947 31.823 -0.772 0.000 0.656 545 V HN 0.291 nan 8.190 nan 0.000 0.451 546 L N -0.280 120.853 121.223 -0.150 0.000 2.042 546 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 546 L C 1.819 178.669 176.870 -0.032 0.000 1.076 546 L CA 2.055 56.849 54.840 -0.077 0.000 0.749 546 L CB -0.343 41.686 42.059 -0.051 0.000 0.893 546 L HN 0.243 nan 8.230 nan 0.000 0.432 547 L N -0.531 120.684 121.223 -0.013 0.000 2.769 547 L HA 0.366 4.706 4.340 -0.000 0.000 0.240 547 L C 0.858 177.750 176.870 0.036 0.000 1.163 547 L CA -0.229 54.618 54.840 0.012 0.000 0.962 547 L CB -0.476 41.590 42.059 0.012 0.000 1.258 547 L HN 0.168 nan 8.230 nan 0.000 0.513 548 A N 0.730 123.589 122.820 0.065 0.000 2.540 548 A HA 0.191 4.510 4.320 -0.000 0.000 0.239 548 A C 0.278 177.902 177.584 0.066 0.000 1.061 548 A CA 0.233 52.330 52.037 0.100 0.000 0.758 548 A CB 0.202 19.318 19.000 0.192 0.000 0.991 548 A HN 0.243 nan 8.150 nan 0.000 0.502 549 Q N 1.085 120.916 119.800 0.051 0.000 2.215 549 Q HA 0.437 4.776 4.340 -0.000 0.000 0.256 549 Q C -2.424 173.592 176.000 0.027 0.000 0.972 549 Q CA -1.975 53.845 55.803 0.028 0.000 0.889 549 Q CB 0.489 29.233 28.738 0.010 0.000 1.281 549 Q HN 0.480 nan 8.270 nan 0.000 0.456 550 P HA 0.253 nan 4.420 nan 0.000 0.266 550 P C -0.447 176.841 177.300 -0.020 0.000 1.195 550 P CA 0.272 63.370 63.100 -0.005 0.000 0.768 550 P CB 0.547 32.237 31.700 -0.017 0.000 0.838 551 G N 0.534 109.320 108.800 -0.024 0.000 2.427 551 G HA2 0.135 4.095 3.960 -0.000 0.000 0.306 551 G HA3 0.135 4.095 3.960 -0.000 0.000 0.306 551 G C -0.474 174.400 174.900 -0.043 0.000 1.280 551 G CA -0.497 44.562 45.100 -0.069 0.000 0.837 551 G HN 0.234 nan 8.290 nan 0.000 0.482 552 Y N -0.348 119.998 120.300 0.077 0.000 2.241 552 Y HA 0.028 4.578 4.550 -0.000 0.000 0.286 552 Y C 2.519 178.351 175.900 -0.113 0.000 1.166 552 Y CA 1.461 59.543 58.100 -0.031 0.000 1.203 552 Y CB -0.148 38.269 38.460 -0.072 0.000 0.977 552 Y HN 0.160 nan 8.280 nan 0.000 0.529 553 L N -1.329 119.907 121.223 0.021 0.000 2.769 553 L HA 0.210 4.550 4.340 -0.000 0.000 0.240 553 L C -0.084 176.757 176.870 -0.049 0.000 1.163 553 L CA 0.173 54.964 54.840 -0.083 0.000 0.962 553 L CB 0.237 42.173 42.059 -0.205 0.000 1.258 553 L HN -0.158 nan 8.230 nan 0.000 0.513 554 S N -0.298 115.398 115.700 -0.006 0.000 2.461 554 S HA 0.518 4.988 4.470 -0.000 0.000 0.216 554 S C 0.572 175.169 174.600 -0.005 0.000 1.201 554 S CA 0.021 58.216 58.200 -0.009 0.000 1.171 554 S CB 1.473 64.685 63.200 0.019 0.000 1.169 554 S HN 0.397 nan 8.310 nan 0.000 0.456 555 G N 1.298 110.091 108.800 -0.012 0.000 2.194 555 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.236 555 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.236 555 G C 0.930 175.827 174.900 -0.006 0.000 0.987 555 G CA 0.207 45.301 45.100 -0.010 0.000 0.635 555 G HN 1.955 nan 8.290 nan 0.000 0.520 556 G N -1.476 107.326 108.800 0.003 0.000 2.198 556 G HA2 0.117 4.076 3.960 -0.000 0.000 0.260 556 G HA3 0.117 4.076 3.960 -0.000 0.000 0.260 556 G C 0.793 175.717 174.900 0.039 0.000 1.025 556 G CA 1.509 46.627 45.100 0.031 0.000 0.769 556 G HN 2.302 nan 8.290 nan 0.000 0.507 557 V N -3.344 116.559 119.914 -0.020 0.000 2.919 557 V HA 0.822 4.942 4.120 -0.000 0.000 0.316 557 V C 0.500 176.439 176.094 -0.258 0.000 1.077 557 V CA -1.117 61.141 62.300 -0.069 0.000 0.977 557 V CB 1.983 33.771 31.823 -0.059 0.000 1.039 557 V HN 0.453 nan 8.190 nan 0.000 0.441 558 E N 3.823 123.874 120.200 -0.249 0.000 2.417 558 E HA 0.220 4.569 4.350 -0.000 0.000 0.261 558 E C -2.267 174.147 176.600 -0.310 0.000 1.000 558 E CA -1.486 54.663 56.400 -0.418 0.000 0.919 558 E CB 0.800 30.422 29.700 -0.130 0.000 0.955 558 E HN 0.692 nan 8.360 nan 0.000 0.455 559 P HA 0.051 nan 4.420 nan 0.000 0.276 559 P C -0.464 176.786 177.300 -0.082 0.000 1.230 559 P CA 0.003 63.000 63.100 -0.172 0.000 0.776 559 P CB 1.286 32.903 31.700 -0.138 0.000 0.888 560 E N 0.749 120.918 120.200 -0.052 0.000 2.276 560 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 560 E C 0.593 177.193 176.600 0.000 0.000 0.983 560 E CA 0.864 57.252 56.400 -0.020 0.000 0.861 560 E CB 0.344 30.033 29.700 -0.019 0.000 0.817 560 E HN 0.522 nan 8.360 nan 0.000 0.485 561 Q N -0.412 119.383 119.800 -0.009 0.000 2.379 561 Q HA 0.354 4.694 4.340 -0.000 0.000 0.278 561 Q C -0.987 175.000 176.000 -0.022 0.000 1.068 561 Q CA -0.555 55.249 55.803 0.002 0.000 0.816 561 Q CB 1.850 30.590 28.738 0.004 0.000 1.387 561 Q HN 0.053 nan 8.270 nan 0.000 0.413 562 S N 1.918 117.607 115.700 -0.018 0.000 2.533 562 S HA 0.172 4.642 4.470 -0.000 0.000 0.282 562 S C -0.240 174.304 174.600 -0.093 0.000 1.304 562 S CA -0.144 57.995 58.200 -0.100 0.000 1.063 562 S CB 1.011 64.191 63.200 -0.034 0.000 0.881 562 S HN 0.540 nan 8.310 nan 0.000 0.493 563 S N 5.171 120.785 115.700 -0.144 0.000 2.537 563 S HA 0.512 4.982 4.470 -0.000 0.000 0.275 563 S C -2.328 172.234 174.600 -0.063 0.000 1.272 563 S CA -1.660 56.501 58.200 -0.065 0.000 1.050 563 S CB 0.352 63.543 63.200 -0.015 0.000 0.961 563 S HN 0.767 nan 8.310 nan 0.000 0.496 564 P HA 0.213 nan 4.420 nan 0.000 0.272 564 P C -0.502 176.820 177.300 0.035 0.000 1.223 564 P CA -0.178 62.932 63.100 0.018 0.000 0.784 564 P CB 0.563 32.283 31.700 0.032 0.000 0.923 565 T N -1.997 112.584 114.554 0.045 0.000 2.887 565 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 565 T C -0.649 174.079 174.700 0.047 0.000 1.087 565 T CA -0.817 61.320 62.100 0.061 0.000 1.009 565 T CB 1.039 69.951 68.868 0.072 0.000 1.203 565 T HN 0.112 nan 8.240 nan 0.000 0.518 566 V N 1.982 121.913 119.914 0.028 0.000 2.407 566 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 566 V C -0.228 175.846 176.094 -0.035 0.000 1.018 566 V CA -0.747 61.540 62.300 -0.023 0.000 0.842 566 V CB 1.502 33.275 31.823 -0.083 0.000 0.996 566 V HN 0.920 nan 8.190 nan 0.000 0.426 567 E N 5.315 125.512 120.200 -0.006 0.000 1.972 567 E HA 0.175 4.525 4.350 -0.000 0.000 0.292 567 E C 0.949 177.562 176.600 0.022 0.000 1.193 567 E CA -0.057 56.359 56.400 0.026 0.000 1.228 567 E CB 0.702 30.431 29.700 0.049 0.000 1.167 567 E HN 0.602 nan 8.360 nan 0.000 0.479 568 L N 0.441 121.629 121.223 -0.058 0.000 2.275 568 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 568 L C 0.838 177.849 176.870 0.235 0.000 1.119 568 L CA 0.387 55.154 54.840 -0.122 0.000 0.790 568 L CB -0.225 41.559 42.059 -0.458 0.000 0.919 568 L HN 0.377 nan 8.230 nan 0.000 0.443 569 D N 0.378 120.876 120.400 0.164 0.000 2.701 569 D HA -0.225 4.414 4.640 -0.000 0.000 0.235 569 D C -0.095 176.350 176.300 0.241 0.000 1.155 569 D CA 0.327 54.446 54.000 0.199 0.000 0.649 569 D CB -0.883 40.061 40.800 0.240 0.000 1.050 569 D HN 0.065 nan 8.370 nan 0.000 0.425 570 L N 1.093 122.376 121.223 0.099 0.000 2.385 570 L HA 0.314 4.654 4.340 -0.000 0.000 0.285 570 L C 0.727 177.650 176.870 0.089 0.000 1.125 570 L CA -0.059 54.716 54.840 -0.108 0.000 0.890 570 L CB -0.154 41.780 42.059 -0.208 0.000 1.251 570 L HN 0.340 nan 8.230 nan 0.000 0.445 571 L N 5.484 126.796 121.223 0.147 0.000 3.737 571 L HA -0.312 4.028 4.340 -0.000 0.000 0.418 571 L C 1.203 178.059 176.870 -0.023 0.000 1.216 571 L CA 0.615 55.537 54.840 0.136 0.000 0.915 571 L CB -2.301 39.827 42.059 0.115 0.000 1.834 571 L HN 1.050 nan 8.230 nan 0.000 0.943 572 G N -2.727 106.035 108.800 -0.063 0.000 2.175 572 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 572 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 572 G C -0.259 174.369 174.900 -0.453 0.000 0.982 572 G CA 0.088 45.012 45.100 -0.295 0.000 0.641 572 G HN 0.409 nan 8.290 nan 0.000 0.527 573 W N 0.881 122.209 121.300 0.047 0.000 2.606 573 W HA 0.748 5.408 4.660 -0.000 0.000 0.332 573 W C 0.452 176.970 176.519 -0.002 0.000 1.052 573 W CA -0.700 56.657 57.345 0.019 0.000 1.223 573 W CB 1.767 31.224 29.460 -0.004 0.000 1.383 573 W HN 0.132 nan 8.180 nan 0.000 0.524 574 S N 0.952 116.822 115.700 0.283 0.000 2.718 574 S HA 0.847 5.317 4.470 -0.000 0.000 0.300 574 S C -0.439 174.246 174.600 0.141 0.000 1.117 574 S CA -0.834 57.454 58.200 0.147 0.000 1.002 574 S CB 1.443 64.723 63.200 0.135 0.000 1.092 574 S HN 0.525 nan 8.310 nan 0.000 0.542 575 A N 0.821 123.683 122.820 0.070 0.000 2.324 575 A HA 0.833 5.153 4.320 -0.000 0.000 0.330 575 A C -0.115 177.576 177.584 0.178 0.000 1.165 575 A CA -0.542 51.559 52.037 0.106 0.000 0.813 575 A CB 1.408 20.396 19.000 -0.020 0.000 1.197 575 A HN 0.632 nan 8.150 nan 0.000 0.484 576 T N -0.352 114.369 114.554 0.277 0.000 2.792 576 T HA 0.517 4.867 4.350 -0.000 0.000 0.303 576 T C -2.049 172.857 174.700 0.344 0.000 1.310 576 T CA -0.243 62.027 62.100 0.282 0.000 1.007 576 T CB 1.053 70.039 68.868 0.196 0.000 1.335 576 T HN 0.622 nan 8.240 nan 0.000 0.504 577 Y N 1.809 122.173 120.300 0.107 0.000 2.331 577 Y HA 0.611 5.160 4.550 -0.000 0.000 0.338 577 Y C 0.098 175.991 175.900 -0.013 0.000 0.992 577 Y CA -0.570 57.491 58.100 -0.065 0.000 1.121 577 Y CB 1.418 39.763 38.460 -0.191 0.000 1.184 577 Y HN 0.482 nan 8.280 nan 0.000 0.469 578 S N 6.055 121.363 115.700 -0.654 0.000 2.404 578 S HA 0.265 4.735 4.470 -0.000 0.000 0.309 578 S C 0.665 174.855 174.600 -0.684 0.000 1.076 578 S CA -0.602 57.317 58.200 -0.469 0.000 1.095 578 S CB 0.478 63.492 63.200 -0.309 0.000 0.972 578 S HN 0.934 nan 8.310 nan 0.000 0.484 579 K N 3.027 123.235 120.400 -0.320 0.000 2.147 579 K HA -0.079 4.240 4.320 -0.000 0.000 0.205 579 K C 0.860 177.377 176.600 -0.139 0.000 1.049 579 K CA 1.462 57.660 56.287 -0.148 0.000 0.936 579 K CB -0.008 32.503 32.500 0.019 0.000 0.722 579 K HN 0.587 nan 8.250 nan 0.000 0.446 580 D N 0.677 120.994 120.400 -0.140 0.000 2.144 580 D HA -0.095 4.544 4.640 -0.000 0.000 0.200 580 D C 1.686 177.912 176.300 -0.123 0.000 0.978 580 D CA 1.025 54.962 54.000 -0.105 0.000 0.833 580 D CB 0.114 40.859 40.800 -0.092 0.000 0.961 580 D HN 0.136 nan 8.370 nan 0.000 0.470 581 L N -1.244 119.871 121.223 -0.181 0.000 2.463 581 L HA 0.218 4.558 4.340 -0.000 0.000 0.219 581 L C 1.395 178.159 176.870 -0.176 0.000 1.088 581 L CA 0.485 55.228 54.840 -0.162 0.000 0.849 581 L CB 0.196 42.157 42.059 -0.164 0.000 1.012 581 L HN 0.142 nan 8.230 nan 0.000 0.468 582 G N 1.809 110.433 108.800 -0.293 0.000 2.136 582 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.242 582 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.242 582 G C 0.151 174.930 174.900 -0.202 0.000 0.989 582 G CA 0.631 45.606 45.100 -0.208 0.000 0.682 582 G HN 0.467 nan 8.290 nan 0.000 0.522 583 I N -4.310 116.019 120.570 -0.402 0.000 3.264 583 I HA 0.827 4.997 4.170 -0.000 0.000 0.315 583 I C -0.050 175.882 176.117 -0.309 0.000 1.154 583 I CA -2.298 58.885 61.300 -0.195 0.000 0.962 583 I CB 1.156 39.134 38.000 -0.037 0.000 1.265 583 I HN -0.115 nan 8.210 nan 0.000 0.463 584 Y N 2.011 122.355 120.300 0.075 0.000 2.336 584 Y HA 0.533 5.083 4.550 -0.000 0.000 0.331 584 Y C 0.492 176.410 175.900 0.031 0.000 1.211 584 Y CA -0.157 58.002 58.100 0.097 0.000 1.346 584 Y CB 1.351 39.884 38.460 0.121 0.000 1.271 584 Y HN 0.464 nan 8.280 nan 0.000 0.538 585 V N 0.933 120.974 119.914 0.213 0.000 2.962 585 V HA 0.696 4.816 4.120 -0.000 0.000 0.313 585 V C -2.871 173.343 176.094 0.199 0.000 1.099 585 V CA -3.079 59.314 62.300 0.155 0.000 0.971 585 V CB 1.988 33.886 31.823 0.125 0.000 1.028 585 V HN 0.525 nan 8.190 nan 0.000 0.430 586 P HA 0.381 nan 4.420 nan 0.000 0.272 586 P C -0.899 176.617 177.300 0.360 0.000 1.223 586 P CA -0.068 63.083 63.100 0.085 0.000 0.784 586 P CB 1.512 32.940 31.700 -0.454 0.000 0.923 587 V N 3.032 123.183 119.914 0.395 0.000 2.760 587 V HA 0.169 4.289 4.120 -0.000 0.000 0.309 587 V C 0.311 176.677 176.094 0.453 0.000 1.077 587 V CA -1.091 61.427 62.300 0.364 0.000 0.910 587 V CB 1.920 33.792 31.823 0.081 0.000 1.008 587 V HN 0.427 nan 8.190 nan 0.000 0.424 588 L N 3.653 125.118 121.223 0.403 0.000 2.543 588 L HA 0.108 4.448 4.340 -0.000 0.000 0.285 588 L C 0.818 177.727 176.870 0.064 0.000 1.236 588 L CA 0.767 55.650 54.840 0.071 0.000 0.871 588 L CB 0.196 42.198 42.059 -0.096 0.000 1.121 588 L HN 0.870 nan 8.230 nan 0.000 0.501 589 D N 4.027 124.414 120.400 -0.022 0.000 2.533 589 D HA -0.121 4.519 4.640 -0.000 0.000 0.236 589 D C 0.810 177.137 176.300 0.044 0.000 1.137 589 D CA 0.309 54.326 54.000 0.028 0.000 0.867 589 D CB 0.767 41.567 40.800 0.000 0.000 1.170 589 D HN 0.659 nan 8.370 nan 0.000 0.474 590 K N 3.262 123.698 120.400 0.059 0.000 2.057 590 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 590 K C 1.659 178.292 176.600 0.055 0.000 1.049 590 K CA 1.182 57.483 56.287 0.023 0.000 0.931 590 K CB 0.148 32.619 32.500 -0.049 0.000 0.714 590 K HN 0.525 nan 8.250 nan 0.000 0.440 591 E N 0.015 120.232 120.200 0.028 0.000 2.051 591 E HA -0.194 4.155 4.350 -0.000 0.000 0.192 591 E C 2.192 178.843 176.600 0.085 0.000 0.991 591 E CA 1.172 57.599 56.400 0.044 0.000 0.799 591 E CB 0.011 29.726 29.700 0.024 0.000 0.748 591 E HN 0.239 nan 8.360 nan 0.000 0.449 592 R N 0.361 120.900 120.500 0.065 0.000 2.083 592 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 592 R C 2.443 178.808 176.300 0.108 0.000 1.137 592 R CA 1.074 57.218 56.100 0.074 0.000 0.951 592 R CB -0.399 29.922 30.300 0.035 0.000 0.851 592 R HN 0.112 nan 8.270 nan 0.000 0.434 593 L N -0.208 121.068 121.223 0.088 0.000 2.017 593 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 593 L C 1.726 178.587 176.870 -0.014 0.000 1.073 593 L CA 1.786 56.647 54.840 0.035 0.000 0.745 593 L CB -0.381 41.666 42.059 -0.020 0.000 0.894 593 L HN 0.032 nan 8.230 nan 0.000 0.432 594 F N -1.757 118.158 119.950 -0.059 0.000 2.367 594 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 594 F C 2.699 178.500 175.800 0.003 0.000 1.094 594 F CA 1.209 59.179 58.000 -0.051 0.000 1.409 594 F CB -1.081 37.859 39.000 -0.100 0.000 1.064 594 F HN 0.267 nan 8.300 nan 0.000 0.528 595 C N -0.465 118.944 119.300 0.181 0.000 2.432 595 C HA -0.173 4.286 4.460 -0.000 0.000 0.277 595 C C 3.041 178.113 174.990 0.136 0.000 1.249 595 C CA 1.892 61.001 59.018 0.152 0.000 1.725 595 C CB -1.155 26.660 27.740 0.125 0.000 2.028 595 C HN 0.426 nan 8.230 nan 0.000 0.477 596 S N 0.842 116.612 115.700 0.116 0.000 2.368 596 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 596 S C 2.171 176.800 174.600 0.049 0.000 1.030 596 S CA 1.343 59.602 58.200 0.099 0.000 0.999 596 S CB -0.596 62.737 63.200 0.222 0.000 0.844 596 S HN 0.823 nan 8.310 nan 0.000 0.459 597 A N 1.648 124.474 122.820 0.010 0.000 1.933 597 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 597 A C 2.346 179.895 177.584 -0.058 0.000 1.175 597 A CA 1.695 53.703 52.037 -0.048 0.000 0.628 597 A CB -1.030 17.864 19.000 -0.178 0.000 0.814 597 A HN 0.517 nan 8.150 nan 0.000 0.444 598 A N -1.936 120.854 122.820 -0.049 0.000 1.898 598 A HA 0.098 4.417 4.320 -0.000 0.000 0.216 598 A C 0.611 177.957 177.584 -0.397 0.000 1.181 598 A CA 0.962 52.891 52.037 -0.180 0.000 0.620 598 A CB -0.333 18.616 19.000 -0.086 0.000 0.819 598 A HN 0.497 nan 8.150 nan 0.000 0.442 599 Y N 0.243 120.541 120.300 -0.004 0.000 2.526 599 Y HA 0.359 4.909 4.550 -0.000 0.000 0.328 599 Y C -2.511 173.282 175.900 -0.177 0.000 0.995 599 Y CA -3.115 54.965 58.100 -0.032 0.000 1.304 599 Y CB 1.154 39.643 38.460 0.048 0.000 1.096 599 Y HN 0.154 nan 8.280 nan 0.000 0.499 600 P HA 0.094 nan 4.420 nan 0.000 0.272 600 P C -0.556 176.523 177.300 -0.370 0.000 1.223 600 P CA -0.341 62.649 63.100 -0.183 0.000 0.784 600 P CB 1.307 32.928 31.700 -0.132 0.000 0.923 601 K N 0.771 120.898 120.400 -0.455 0.000 2.154 601 K HA 0.440 4.760 4.320 -0.000 0.000 0.264 601 K C 1.087 177.591 176.600 -0.160 0.000 1.008 601 K CA -0.523 55.419 56.287 -0.576 0.000 0.937 601 K CB 0.509 32.761 32.500 -0.414 0.000 1.002 601 K HN 0.535 nan 8.250 nan 0.000 0.469 602 G N 0.148 108.986 108.800 0.063 0.000 2.651 602 G HA2 0.270 4.229 3.960 -0.000 0.000 0.260 602 G HA3 0.270 4.229 3.960 -0.000 0.000 0.260 602 G C 1.210 176.105 174.900 -0.007 0.000 1.216 602 G CA -0.070 45.141 45.100 0.185 0.000 0.913 602 G HN 0.496 nan 8.290 nan 0.000 0.535 603 V N -0.189 119.648 119.914 -0.128 0.000 2.295 603 V HA 0.251 4.371 4.120 -0.000 0.000 0.246 603 V C 1.981 178.027 176.094 -0.080 0.000 1.049 603 V CA 3.497 65.612 62.300 -0.309 0.000 1.024 603 V CB -1.908 29.692 31.823 -0.372 0.000 0.648 603 V HN 1.512 nan 8.190 nan 0.000 0.447 613 G N 2.385 111.233 108.800 0.079 0.000 2.352 613 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.204 613 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.204 613 G C 1.017 175.787 174.900 -0.216 0.000 1.004 613 G CA 0.626 45.736 45.100 0.017 0.000 0.648 613 G HN 2.464 nan 8.290 nan 0.000 0.491 614 I N -0.793 119.731 120.570 -0.076 0.000 3.001 614 I HA 0.286 4.455 4.170 -0.000 0.000 0.268 614 I C 1.805 177.884 176.117 -0.064 0.000 1.267 614 I CA 1.807 62.995 61.300 -0.186 0.000 1.472 614 I CB -0.204 37.866 38.000 0.117 0.000 1.089 614 I HN 0.277 nan 8.210 nan 0.000 0.468 615 E N 0.991 121.170 120.200 -0.035 0.000 2.106 615 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 615 E C 2.050 178.625 176.600 -0.041 0.000 0.984 615 E CA 1.015 57.418 56.400 0.004 0.000 0.806 615 E CB -0.045 29.642 29.700 -0.023 0.000 0.750 615 E HN 0.621 nan 8.360 nan 0.000 0.458 616 Q N -0.057 119.652 119.800 -0.151 0.000 2.167 616 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 616 Q C 2.101 177.981 176.000 -0.201 0.000 0.970 616 Q CA 1.142 56.843 55.803 -0.170 0.000 0.855 616 Q CB -0.228 28.392 28.738 -0.196 0.000 0.911 616 Q HN 0.216 nan 8.270 nan 0.000 0.438 617 A N -0.229 122.356 122.820 -0.393 0.000 1.930 617 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 617 A C 1.831 179.339 177.584 -0.128 0.000 1.175 617 A CA 0.930 52.694 52.037 -0.455 0.000 0.627 617 A CB -0.771 17.547 19.000 -1.136 0.000 0.815 617 A HN 0.324 nan 8.150 nan 0.000 0.443 618 Y N 0.205 120.475 120.300 -0.050 0.000 2.352 618 Y HA -0.135 4.414 4.550 -0.000 0.000 0.292 618 Y C 2.392 178.287 175.900 -0.009 0.000 1.136 618 Y CA 1.739 59.887 58.100 0.081 0.000 1.227 618 Y CB 0.005 38.511 38.460 0.077 0.000 0.991 618 Y HN 0.258 nan 8.280 nan 0.000 0.545 619 K N -0.734 119.714 120.400 0.080 0.000 2.097 619 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 619 K C 1.955 178.587 176.600 0.054 0.000 1.050 619 K CA 1.255 57.538 56.287 -0.007 0.000 0.938 619 K CB -0.276 32.259 32.500 0.059 0.000 0.718 619 K HN 0.108 nan 8.250 nan 0.000 0.442 620 V N 1.087 121.033 119.914 0.053 0.000 2.295 620 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 620 V C 2.281 178.378 176.094 0.006 0.000 1.049 620 V CA 1.536 63.864 62.300 0.045 0.000 1.024 620 V CB -0.370 31.453 31.823 -0.000 0.000 0.648 620 V HN 0.065 nan 8.190 nan 0.000 0.447 621 V N 0.104 120.019 119.914 0.001 0.000 2.220 621 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 621 V C 2.503 178.593 176.094 -0.007 0.000 1.049 621 V CA 2.629 64.914 62.300 -0.024 0.000 1.003 621 V CB -0.866 30.982 31.823 0.043 0.000 0.634 621 V HN 0.516 nan 8.190 nan 0.000 0.444 622 R N -0.750 119.745 120.500 -0.009 0.000 2.143 622 R HA -0.263 4.077 4.340 -0.000 0.000 0.239 622 R C 2.332 178.597 176.300 -0.058 0.000 1.126 622 R CA 2.741 58.787 56.100 -0.090 0.000 0.927 622 R CB -0.669 29.439 30.300 -0.320 0.000 0.860 622 R HN 0.609 nan 8.270 nan 0.000 0.433 623 Y N 0.101 120.414 120.300 0.021 0.000 2.200 623 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 623 Y C 2.665 178.550 175.900 -0.024 0.000 1.137 623 Y CA 0.830 58.931 58.100 0.001 0.000 1.163 623 Y CB 0.083 38.535 38.460 -0.012 0.000 0.988 623 Y HN 0.209 nan 8.280 nan 0.000 0.518 624 E N 0.155 120.400 120.200 0.076 0.000 2.072 624 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 624 E C 2.393 178.928 176.600 -0.108 0.000 0.985 624 E CA 1.017 57.379 56.400 -0.062 0.000 0.801 624 E CB -0.456 29.131 29.700 -0.188 0.000 0.750 624 E HN 0.463 nan 8.360 nan 0.000 0.452 625 A N 1.426 124.192 122.820 -0.089 0.000 1.933 625 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 625 A C 2.382 180.013 177.584 0.079 0.000 1.175 625 A CA 0.896 52.930 52.037 -0.004 0.000 0.628 625 A CB -0.705 18.422 19.000 0.211 0.000 0.814 625 A HN 0.155 nan 8.150 nan 0.000 0.444 626 L N -0.844 120.452 121.223 0.123 0.000 2.042 626 L HA -0.239 4.100 4.340 -0.000 0.000 0.210 626 L C 2.961 179.857 176.870 0.044 0.000 1.076 626 L CA 1.500 56.380 54.840 0.066 0.000 0.749 626 L CB -0.440 41.689 42.059 0.117 0.000 0.893 626 L HN 0.396 nan 8.230 nan 0.000 0.432 627 R N -0.519 120.033 120.500 0.087 0.000 2.070 627 R HA -0.192 4.148 4.340 -0.000 0.000 0.233 627 R C 2.195 178.640 176.300 0.242 0.000 1.137 627 R CA 1.313 57.502 56.100 0.147 0.000 0.945 627 R CB -0.866 29.498 30.300 0.106 0.000 0.845 627 R HN 0.193 nan 8.270 nan 0.000 0.430 628 L N 1.434 122.733 121.223 0.126 0.000 2.081 628 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 628 L C 2.276 179.415 176.870 0.449 0.000 1.080 628 L CA 1.574 56.513 54.840 0.164 0.000 0.754 628 L CB -0.317 41.668 42.059 -0.123 0.000 0.893 628 L HN 0.123 nan 8.230 nan 0.000 0.433 629 V N -4.090 116.037 119.914 0.355 0.000 3.306 629 V HA 0.443 4.563 4.120 -0.000 0.000 0.264 629 V C 1.513 177.876 176.094 0.448 0.000 1.149 629 V CA 0.999 63.579 62.300 0.466 0.000 1.143 629 V CB -0.078 31.732 31.823 -0.021 0.000 0.767 629 V HN 0.486 nan 8.190 nan 0.000 0.476 630 G N -1.012 107.953 108.800 0.275 0.000 3.942 630 G HA2 0.011 3.971 3.960 -0.000 0.000 0.219 630 G HA3 0.011 3.971 3.960 -0.000 0.000 0.219 630 G C 1.029 175.835 174.900 -0.157 0.000 0.869 630 G CA 0.157 45.231 45.100 -0.044 0.000 0.851 630 G HN 0.740 nan 8.290 nan 0.000 0.560 631 G N 1.648 110.467 108.800 0.032 0.000 2.450 631 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 631 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 631 G C 1.680 176.665 174.900 0.142 0.000 1.130 631 G CA 1.601 46.759 45.100 0.096 0.000 0.760 631 G HN 0.781 nan 8.290 nan 0.000 0.557 632 W N 1.206 122.625 121.300 0.199 0.000 2.341 632 W HA -0.125 4.534 4.660 -0.000 0.000 0.283 632 W C 1.421 178.065 176.519 0.208 0.000 1.215 632 W CA 0.872 58.376 57.345 0.266 0.000 1.211 632 W CB -0.645 28.951 29.460 0.227 0.000 1.131 632 W HN 0.320 nan 8.180 nan 0.000 0.552 633 N N -0.378 117.971 118.700 -0.585 0.000 2.412 633 N HA -0.042 4.697 4.740 -0.000 0.000 0.184 633 N C -0.861 174.223 175.510 -0.710 0.000 1.101 633 N CA 0.310 52.882 53.050 -0.797 0.000 0.881 633 N CB -0.369 37.265 38.487 -1.422 0.000 0.969 633 N HN 0.053 nan 8.380 nan 0.000 0.459 634 Y N -0.448 119.818 120.300 -0.055 0.000 2.388 634 Y HA 0.374 4.924 4.550 -0.000 0.000 0.328 634 Y C -1.635 174.307 175.900 0.071 0.000 0.963 634 Y CA -2.317 55.808 58.100 0.042 0.000 1.240 634 Y CB 1.932 40.469 38.460 0.130 0.000 1.118 634 Y HN 0.006 nan 8.280 nan 0.000 0.484 635 P HA -0.252 nan 4.420 nan 0.000 0.214 635 P C 1.578 178.958 177.300 0.133 0.000 1.169 635 P CA 1.712 64.879 63.100 0.111 0.000 0.908 635 P CB 0.440 32.192 31.700 0.088 0.000 0.791 636 L N -1.961 119.359 121.223 0.161 0.000 2.027 636 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 636 L C 2.469 179.411 176.870 0.121 0.000 1.074 636 L CA 1.040 55.967 54.840 0.145 0.000 0.745 636 L CB -1.055 41.100 42.059 0.161 0.000 0.898 636 L HN 0.003 nan 8.230 nan 0.000 0.433 637 L N 0.815 122.119 121.223 0.136 0.000 1.990 637 L HA -0.278 4.061 4.340 -0.000 0.000 0.213 637 L C 2.177 179.086 176.870 0.065 0.000 1.072 637 L CA 2.158 57.025 54.840 0.044 0.000 0.755 637 L CB -0.911 41.108 42.059 -0.067 0.000 0.889 637 L HN 0.292 nan 8.230 nan 0.000 0.432 638 N N -0.342 118.434 118.700 0.127 0.000 2.018 638 N HA -0.307 4.433 4.740 -0.000 0.000 0.196 638 N C 1.958 177.539 175.510 0.118 0.000 1.043 638 N CA 2.163 55.308 53.050 0.159 0.000 0.856 638 N CB -0.247 38.379 38.487 0.232 0.000 1.042 638 N HN 0.299 nan 8.380 nan 0.000 0.423 639 K N -0.090 120.372 120.400 0.103 0.000 2.057 639 K HA 0.111 4.431 4.320 -0.000 0.000 0.206 639 K C 1.825 178.440 176.600 0.026 0.000 1.050 639 K CA 1.275 57.607 56.287 0.075 0.000 0.935 639 K CB -0.642 31.904 32.500 0.076 0.000 0.715 639 K HN 0.300 nan 8.250 nan 0.000 0.439 640 A N 0.071 122.899 122.820 0.014 0.000 1.902 640 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 640 A C 2.461 179.933 177.584 -0.187 0.000 1.181 640 A CA 1.828 53.834 52.037 -0.053 0.000 0.623 640 A CB -1.161 17.824 19.000 -0.024 0.000 0.818 640 A HN 0.524 nan 8.150 nan 0.000 0.443 641 C N -0.917 118.299 119.300 -0.140 0.000 2.440 641 C HA -0.031 4.429 4.460 -0.000 0.000 0.278 641 C C 2.698 177.587 174.990 -0.169 0.000 1.295 641 C CA 1.250 60.145 59.018 -0.205 0.000 1.738 641 C CB -0.895 26.871 27.740 0.043 0.000 1.987 641 C HN 0.697 nan 8.230 nan 0.000 0.492 642 K N 0.968 121.331 120.400 -0.061 0.000 2.001 642 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 642 K C 1.788 178.349 176.600 -0.065 0.000 1.048 642 K CA 1.543 57.812 56.287 -0.030 0.000 0.932 642 K CB -0.245 32.273 32.500 0.030 0.000 0.715 642 K HN 0.381 nan 8.250 nan 0.000 0.437 643 N N 1.478 120.132 118.700 -0.075 0.000 2.061 643 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 643 N C 1.500 176.926 175.510 -0.139 0.000 1.030 643 N CA 1.485 54.486 53.050 -0.082 0.000 0.856 643 N CB -0.681 37.771 38.487 -0.059 0.000 1.023 643 N HN 0.246 nan 8.380 nan 0.000 0.424 644 N N 0.697 119.235 118.700 -0.270 0.000 2.142 644 N HA -0.019 4.721 4.740 -0.000 0.000 0.186 644 N C 1.600 177.002 175.510 -0.179 0.000 1.023 644 N CA 1.178 54.021 53.050 -0.346 0.000 0.852 644 N CB -0.516 37.463 38.487 -0.846 0.000 0.998 644 N HN 0.263 nan 8.380 nan 0.000 0.424 645 A N 0.408 123.146 122.820 -0.138 0.000 1.902 645 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 645 A C 2.368 179.947 177.584 -0.009 0.000 1.181 645 A CA 1.879 53.928 52.037 0.020 0.000 0.623 645 A CB -1.264 17.758 19.000 0.037 0.000 0.818 645 A HN 0.347 nan 8.150 nan 0.000 0.443 646 G N -0.500 108.280 108.800 -0.034 0.000 2.440 646 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 646 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 646 G C 1.712 176.603 174.900 -0.015 0.000 1.154 646 G CA 1.488 46.575 45.100 -0.022 0.000 0.767 646 G HN 0.828 nan 8.290 nan 0.000 0.552 647 A N 0.846 123.649 122.820 -0.028 0.000 1.968 647 A HA 0.403 4.723 4.320 -0.000 0.000 0.217 647 A C 2.735 180.322 177.584 0.005 0.000 1.169 647 A CA 1.954 53.981 52.037 -0.017 0.000 0.638 647 A CB -0.525 18.448 19.000 -0.046 0.000 0.812 647 A HN 0.712 nan 8.150 nan 0.000 0.446 648 A N -0.483 122.336 122.820 -0.003 0.000 1.929 648 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 648 A C 2.220 179.810 177.584 0.011 0.000 1.176 648 A CA 1.404 53.438 52.037 -0.004 0.000 0.628 648 A CB -0.402 18.599 19.000 0.002 0.000 0.816 648 A HN 0.509 nan 8.150 nan 0.000 0.444 649 R N -0.454 120.051 120.500 0.007 0.000 2.066 649 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 649 R C 2.361 178.674 176.300 0.021 0.000 1.131 649 R CA 1.294 57.397 56.100 0.005 0.000 0.955 649 R CB -0.197 30.104 30.300 0.001 0.000 0.851 649 R HN 0.471 nan 8.270 nan 0.000 0.432 650 R N -1.294 119.222 120.500 0.027 0.000 2.115 650 R HA -0.162 4.178 4.340 -0.000 0.000 0.230 650 R C 2.171 178.493 176.300 0.038 0.000 1.111 650 R CA 1.645 57.761 56.100 0.026 0.000 0.976 650 R CB -0.391 29.921 30.300 0.020 0.000 0.870 650 R HN 0.423 nan 8.270 nan 0.000 0.445 651 H N 0.479 119.528 119.070 -0.034 0.000 2.423 651 H HA 0.004 4.560 4.556 -0.000 0.000 0.297 651 H C 1.770 177.075 175.328 -0.039 0.000 1.075 651 H CA 1.291 57.316 56.048 -0.038 0.000 1.342 651 H CB 0.123 29.855 29.762 -0.050 0.000 1.395 651 H HN 0.062 nan 8.280 nan 0.000 0.530 652 L N -0.282 120.953 121.223 0.020 0.000 2.162 652 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 652 L C 2.954 179.840 176.870 0.027 0.000 1.086 652 L CA 1.014 55.846 54.840 -0.015 0.000 0.778 652 L CB -0.648 41.364 42.059 -0.078 0.000 0.928 652 L HN 0.542 nan 8.230 nan 0.000 0.446 653 E N 0.887 121.097 120.200 0.018 0.000 2.051 653 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 653 E C 2.264 178.861 176.600 -0.004 0.000 0.991 653 E CA 1.513 57.926 56.400 0.022 0.000 0.799 653 E CB -0.817 28.891 29.700 0.014 0.000 0.748 653 E HN 0.540 nan 8.360 nan 0.000 0.449 654 A N 0.459 123.254 122.820 -0.041 0.000 2.067 654 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 654 A C 2.126 179.664 177.584 -0.076 0.000 1.158 654 A CA 1.533 53.533 52.037 -0.062 0.000 0.661 654 A CB -0.071 18.879 19.000 -0.084 0.000 0.801 654 A HN 0.371 nan 8.150 nan 0.000 0.452 655 K N -1.317 119.029 120.400 -0.089 0.000 2.374 655 K HA 0.223 4.543 4.320 -0.000 0.000 0.196 655 K C 0.995 177.606 176.600 0.019 0.000 1.023 655 K CA 0.452 56.704 56.287 -0.058 0.000 1.103 655 K CB 0.126 32.566 32.500 -0.100 0.000 0.848 655 K HN 0.578 nan 8.250 nan 0.000 0.528 656 G N 2.363 111.182 108.800 0.030 0.000 2.166 656 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 656 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 656 G C 0.049 174.990 174.900 0.068 0.000 0.986 656 G CA -0.012 45.111 45.100 0.038 0.000 0.683 656 G HN 0.423 nan 8.290 nan 0.000 0.527 657 F N 2.506 122.434 119.950 -0.036 0.000 2.607 657 F HA 0.418 4.944 4.527 -0.000 0.000 0.374 657 F C -0.891 174.899 175.800 -0.017 0.000 1.104 657 F CA -1.051 56.929 58.000 -0.034 0.000 1.296 657 F CB 0.698 39.666 39.000 -0.054 0.000 1.085 657 F HN 0.036 nan 8.300 nan 0.000 0.584 658 P HA 0.037 nan 4.420 nan 0.000 0.244 658 P C 0.483 177.771 177.300 -0.019 0.000 1.769 658 P CA 0.030 62.994 63.100 -0.227 0.000 1.102 658 P CB 0.662 32.189 31.700 -0.289 0.000 1.937 659 L N 2.468 123.849 121.223 0.264 0.000 2.027 659 L HA -0.107 4.232 4.340 -0.000 0.000 0.206 659 L C 1.766 178.793 176.870 0.261 0.000 1.074 659 L CA 1.977 57.041 54.840 0.373 0.000 0.745 659 L CB -0.690 41.526 42.059 0.261 0.000 0.898 659 L HN 0.075 nan 8.230 nan 0.000 0.433 660 D N 0.129 120.620 120.400 0.152 0.000 2.133 660 D HA -0.246 4.394 4.640 -0.000 0.000 0.195 660 D C 2.145 178.514 176.300 0.115 0.000 0.997 660 D CA 1.819 55.885 54.000 0.111 0.000 0.840 660 D CB -0.087 40.752 40.800 0.066 0.000 0.947 660 D HN 0.649 nan 8.370 nan 0.000 0.452 661 E N 0.666 120.926 120.200 0.101 0.000 2.106 661 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 661 E C 1.787 178.462 176.600 0.124 0.000 0.984 661 E CA 0.696 57.143 56.400 0.079 0.000 0.806 661 E CB -1.193 28.527 29.700 0.033 0.000 0.750 661 E HN 0.348 nan 8.360 nan 0.000 0.458 662 F N 0.531 120.510 119.950 0.049 0.000 2.171 662 F HA 0.041 4.568 4.527 -0.000 0.000 0.300 662 F C 1.991 177.838 175.800 0.078 0.000 1.090 662 F CA 1.410 59.461 58.000 0.084 0.000 1.293 662 F CB 0.109 39.242 39.000 0.221 0.000 1.013 662 F HN 0.136 nan 8.300 nan 0.000 0.486 663 L N -0.521 120.799 121.223 0.163 0.000 2.592 663 L HA 0.167 4.507 4.340 -0.000 0.000 0.227 663 L C 2.457 179.423 176.870 0.161 0.000 1.127 663 L CA 0.416 55.337 54.840 0.136 0.000 0.884 663 L CB -0.914 41.248 42.059 0.171 0.000 1.065 663 L HN 0.167 nan 8.230 nan 0.000 0.457 664 A N 0.683 123.548 122.820 0.076 0.000 1.903 664 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 664 A C 1.288 178.875 177.584 0.005 0.000 1.191 664 A CA 1.694 53.761 52.037 0.051 0.000 0.638 664 A CB -0.218 18.792 19.000 0.016 0.000 0.823 664 A HN 0.389 nan 8.150 nan 0.000 0.451 665 E N -0.200 119.965 120.200 -0.058 0.000 3.588 665 E HA 0.163 4.512 4.350 -0.000 0.000 0.213 665 E C 0.734 177.234 176.600 -0.166 0.000 1.168 665 E CA -0.429 55.884 56.400 -0.145 0.000 1.254 665 E CB 0.013 29.636 29.700 -0.129 0.000 1.302 665 E HN 0.782 nan 8.360 nan 0.000 0.429 666 W N 0.590 121.815 121.300 -0.125 0.000 2.425 666 W HA -0.135 4.525 4.660 -0.000 0.000 0.277 666 W C 1.505 177.976 176.519 -0.080 0.000 1.231 666 W CA 0.990 58.248 57.345 -0.145 0.000 1.248 666 W CB -0.817 28.572 29.460 -0.119 0.000 1.117 666 W HN 0.376 nan 8.180 nan 0.000 0.568 667 S N 1.834 117.125 115.700 -0.683 0.000 2.392 667 S HA -0.321 4.149 4.470 -0.000 0.000 0.232 667 S C 1.574 176.088 174.600 -0.144 0.000 1.041 667 S CA 2.152 60.024 58.200 -0.546 0.000 1.026 667 S CB -0.654 62.174 63.200 -0.621 0.000 0.845 667 S HN 0.500 nan 8.310 nan 0.000 0.465 668 E N 0.678 120.806 120.200 -0.119 0.000 2.208 668 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 668 E C 1.779 178.395 176.600 0.026 0.000 0.988 668 E CA 1.040 57.416 56.400 -0.041 0.000 0.828 668 E CB -0.236 29.430 29.700 -0.056 0.000 0.763 668 E HN 0.581 nan 8.360 nan 0.000 0.478 669 L N 0.233 121.482 121.223 0.043 0.000 2.591 669 L HA 0.111 4.451 4.340 -0.000 0.000 0.228 669 L C 0.951 177.938 176.870 0.196 0.000 1.133 669 L CA -0.123 54.785 54.840 0.112 0.000 0.880 669 L CB 0.344 42.367 42.059 -0.060 0.000 1.033 669 L HN -0.107 nan 8.230 nan 0.000 0.450 670 S N -0.157 115.658 115.700 0.192 0.000 2.500 670 S HA 0.173 4.643 4.470 -0.000 0.000 0.301 670 S C 0.910 175.573 174.600 0.106 0.000 1.092 670 S CA -0.749 57.579 58.200 0.214 0.000 1.030 670 S CB 1.485 64.938 63.200 0.422 0.000 1.031 670 S HN 0.433 nan 8.310 nan 0.000 0.483 671 E N 2.860 123.016 120.200 -0.072 0.000 2.463 671 E HA -0.097 4.253 4.350 -0.000 0.000 0.201 671 E C 0.037 176.458 176.600 -0.298 0.000 1.045 671 E CA 1.356 57.599 56.400 -0.263 0.000 0.872 671 E CB -0.296 29.105 29.700 -0.498 0.000 0.797 671 E HN 0.669 nan 8.360 nan 0.000 0.538 672 F N 0.111 120.208 119.950 0.245 0.000 2.682 672 F HA 0.416 4.943 4.527 -0.000 0.000 0.308 672 F C 2.183 178.248 175.800 0.442 0.000 1.093 672 F CA -0.079 58.129 58.000 0.346 0.000 1.244 672 F CB 0.365 39.639 39.000 0.456 0.000 1.052 672 F HN 0.107 nan 8.300 nan 0.000 0.573 673 G N 0.092 109.163 108.800 0.453 0.000 2.450 673 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 673 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 673 G C 1.595 176.604 174.900 0.183 0.000 1.130 673 G CA 0.949 46.229 45.100 0.300 0.000 0.760 673 G HN 0.411 nan 8.290 nan 0.000 0.557 674 E N 0.423 120.710 120.200 0.145 0.000 2.171 674 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 674 E C 2.625 179.219 176.600 -0.010 0.000 0.997 674 E CA 1.007 57.440 56.400 0.054 0.000 0.810 674 E CB -0.213 29.535 29.700 0.079 0.000 0.738 674 E HN 0.413 nan 8.360 nan 0.000 0.467 675 A N -0.488 122.359 122.820 0.045 0.000 2.119 675 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 675 A C 1.248 178.541 177.584 -0.486 0.000 1.153 675 A CA 0.584 52.538 52.037 -0.138 0.000 0.692 675 A CB -0.198 18.827 19.000 0.041 0.000 0.799 675 A HN 0.293 nan 8.150 nan 0.000 0.458 676 F N 0.197 120.070 119.950 -0.129 0.000 2.653 676 F HA 0.249 4.776 4.527 -0.000 0.000 0.304 676 F C 0.598 176.105 175.800 -0.489 0.000 1.092 676 F CA -0.555 57.257 58.000 -0.312 0.000 1.279 676 F CB 0.153 39.055 39.000 -0.164 0.000 1.044 676 F HN 0.108 nan 8.300 nan 0.000 0.564 677 E N 0.519 120.517 120.200 -0.337 0.000 2.415 677 E HA 0.248 4.598 4.350 -0.000 0.000 0.263 677 E C 1.244 177.654 176.600 -0.317 0.000 0.995 677 E CA 0.747 56.975 56.400 -0.286 0.000 0.915 677 E CB 0.336 29.914 29.700 -0.202 0.000 0.951 677 E HN 0.465 nan 8.360 nan 0.000 0.449 678 G N 3.481 112.191 108.800 -0.151 0.000 2.168 678 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.257 678 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.257 678 G C 0.338 175.347 174.900 0.182 0.000 0.997 678 G CA 0.048 45.135 45.100 -0.022 0.000 0.708 678 G HN 0.508 nan 8.290 nan 0.000 0.520 679 F N 0.263 120.187 119.950 -0.043 0.000 2.746 679 F HA 0.212 4.738 4.527 -0.000 0.000 0.297 679 F C 1.931 177.718 175.800 -0.022 0.000 1.113 679 F CA 0.387 58.373 58.000 -0.023 0.000 1.367 679 F CB -0.884 38.120 39.000 0.006 0.000 1.111 679 F HN 0.966 nan 8.300 nan 0.000 0.590 680 N N 1.504 120.289 118.700 0.140 0.000 2.714 680 N HA -0.247 4.493 4.740 -0.000 0.000 0.252 680 N C -0.007 175.558 175.510 0.093 0.000 1.014 680 N CA 1.064 54.155 53.050 0.068 0.000 0.735 680 N CB -2.855 35.659 38.487 0.045 0.000 0.924 680 N HN 0.531 nan 8.380 nan 0.000 0.540 681 I N -4.107 116.552 120.570 0.148 0.000 2.493 681 I HA 0.577 4.747 4.170 -0.000 0.000 0.298 681 I C 0.366 176.665 176.117 0.304 0.000 0.998 681 I CA -1.252 60.154 61.300 0.176 0.000 1.137 681 I CB 1.697 39.803 38.000 0.176 0.000 1.310 681 I HN 0.144 nan 8.210 nan 0.000 0.445 682 K N 4.719 125.226 120.400 0.178 0.000 2.258 682 K HA 0.350 4.670 4.320 -0.000 0.000 0.264 682 K C -0.600 175.979 176.600 -0.035 0.000 1.007 682 K CA -0.524 55.844 56.287 0.136 0.000 0.941 682 K CB 1.060 33.576 32.500 0.026 0.000 0.966 682 K HN 0.621 nan 8.250 nan 0.000 0.480 683 L N 3.644 124.669 121.223 -0.330 0.000 2.356 683 L HA 0.033 4.373 4.340 -0.000 0.000 0.282 683 L C 1.041 177.705 176.870 -0.342 0.000 1.132 683 L CA 0.193 54.656 54.840 -0.628 0.000 0.923 683 L CB -0.017 41.436 42.059 -1.011 0.000 1.278 683 L HN 0.915 nan 8.230 nan 0.000 0.436 684 T N -2.251 112.146 114.554 -0.261 0.000 3.057 684 T HA 0.080 4.430 4.350 -0.000 0.000 0.254 684 T C 0.529 175.108 174.700 -0.202 0.000 0.965 684 T CA 0.027 62.012 62.100 -0.191 0.000 0.978 684 T CB 0.357 69.142 68.868 -0.138 0.000 1.169 684 T HN 0.066 nan 8.240 nan 0.000 0.489 685 V N 3.092 122.865 119.914 -0.235 0.000 4.923 685 V HA -0.067 4.053 4.120 -0.000 0.000 0.378 685 V C 0.219 176.085 176.094 -0.379 0.000 0.678 685 V CA 0.705 62.830 62.300 -0.291 0.000 1.503 685 V CB -2.697 28.982 31.823 -0.240 0.000 1.812 685 V HN 1.182 nan 8.190 nan 0.000 0.469 686 T N -0.156 114.169 114.554 -0.382 0.000 2.804 686 T HA 0.642 4.992 4.350 -0.000 0.000 0.290 686 T C 0.912 175.412 174.700 -0.333 0.000 1.099 686 T CA 0.007 61.891 62.100 -0.361 0.000 1.011 686 T CB 1.904 70.666 68.868 -0.176 0.000 1.291 686 T HN 0.244 nan 8.240 nan 0.000 0.523 687 S N 0.283 115.897 115.700 -0.143 0.000 2.374 687 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 687 S C 1.821 176.350 174.600 -0.118 0.000 1.037 687 S CA 2.027 60.190 58.200 -0.063 0.000 1.024 687 S CB -0.589 62.624 63.200 0.022 0.000 0.861 687 S HN 0.808 nan 8.310 nan 0.000 0.456 688 E N 0.982 121.117 120.200 -0.108 0.000 2.072 688 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 688 E C 2.454 178.979 176.600 -0.126 0.000 0.982 688 E CA 1.193 57.533 56.400 -0.101 0.000 0.803 688 E CB -0.293 29.360 29.700 -0.078 0.000 0.755 688 E HN 0.588 nan 8.360 nan 0.000 0.453 689 S N 0.013 115.622 115.700 -0.153 0.000 2.406 689 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 689 S C 1.980 176.467 174.600 -0.190 0.000 1.020 689 S CA 0.498 58.603 58.200 -0.158 0.000 0.965 689 S CB -0.301 62.800 63.200 -0.164 0.000 0.798 689 S HN 0.168 nan 8.310 nan 0.000 0.488 690 L N 1.178 122.248 121.223 -0.254 0.000 2.109 690 L HA 0.073 4.413 4.340 -0.000 0.000 0.207 690 L C 3.204 179.929 176.870 -0.241 0.000 1.086 690 L CA 1.041 55.691 54.840 -0.318 0.000 0.760 690 L CB -0.762 40.984 42.059 -0.521 0.000 0.910 690 L HN 0.477 nan 8.230 nan 0.000 0.437 691 A N 0.119 122.820 122.820 -0.198 0.000 1.877 691 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 691 A C 2.188 179.695 177.584 -0.128 0.000 1.186 691 A CA 2.008 53.954 52.037 -0.151 0.000 0.620 691 A CB -0.466 18.459 19.000 -0.124 0.000 0.822 691 A HN 0.404 nan 8.150 nan 0.000 0.443 692 E N -0.286 119.839 120.200 -0.126 0.000 2.106 692 E HA -0.146 4.203 4.350 -0.000 0.000 0.192 692 E C 1.739 178.259 176.600 -0.135 0.000 0.984 692 E CA 1.184 57.513 56.400 -0.118 0.000 0.806 692 E CB -0.423 29.213 29.700 -0.107 0.000 0.750 692 E HN 0.394 nan 8.360 nan 0.000 0.458 693 L N 0.703 121.845 121.223 -0.135 0.000 2.131 693 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 693 L C 1.314 178.137 176.870 -0.079 0.000 1.092 693 L CA 1.711 56.467 54.840 -0.139 0.000 0.759 693 L CB -0.300 41.667 42.059 -0.153 0.000 0.903 693 L HN 0.148 nan 8.230 nan 0.000 0.435 694 N N -0.755 117.906 118.700 -0.064 0.000 2.254 694 N HA -0.005 4.735 4.740 -0.000 0.000 0.190 694 N C 0.115 175.591 175.510 -0.057 0.000 1.107 694 N CA 0.029 53.066 53.050 -0.022 0.000 0.869 694 N CB 0.265 38.729 38.487 -0.037 0.000 0.983 694 N HN 0.303 nan 8.380 nan 0.000 0.487 695 K N 2.741 123.089 120.400 -0.086 0.000 2.453 695 K HA 0.061 4.381 4.320 -0.000 0.000 0.280 695 K C -2.456 174.099 176.600 -0.076 0.000 1.045 695 K CA -1.198 55.039 56.287 -0.083 0.000 1.059 695 K CB 0.418 32.862 32.500 -0.092 0.000 0.901 695 K HN -0.099 nan 8.250 nan 0.000 0.475 696 P HA -0.066 nan 4.420 nan 0.000 0.262 696 P C -1.105 176.166 177.300 -0.049 0.000 1.182 696 P CA -0.039 63.037 63.100 -0.040 0.000 0.761 696 P CB 0.657 32.345 31.700 -0.019 0.000 0.795 697 V N 6.189 126.074 119.914 -0.049 0.000 2.638 697 V HA 0.347 4.467 4.120 -0.000 0.000 0.306 697 V C -2.199 173.880 176.094 -0.025 0.000 1.052 697 V CA -1.981 60.288 62.300 -0.051 0.000 0.885 697 V CB 1.896 33.667 31.823 -0.086 0.000 0.999 697 V HN 0.459 nan 8.190 nan 0.000 0.424 698 P HA 0.213 nan 4.420 nan 0.000 0.264 698 P C -2.570 174.733 177.300 0.005 0.000 1.193 698 P CA -0.688 62.412 63.100 0.001 0.000 0.763 698 P CB -0.245 31.456 31.700 0.002 0.000 0.810 699 P HA 0.008 nan 4.420 nan 0.000 0.264 699 P C -0.070 177.243 177.300 0.021 0.000 1.193 699 P CA -0.050 63.065 63.100 0.024 0.000 0.763 699 P CB 0.237 31.961 31.700 0.040 0.000 0.810 700 K N 4.659 125.070 120.400 0.018 0.000 2.436 700 K HA 0.164 4.484 4.320 -0.000 0.000 0.275 700 K C -2.321 174.291 176.600 0.019 0.000 0.999 700 K CA -1.433 54.863 56.287 0.015 0.000 0.980 700 K CB -0.659 31.848 32.500 0.011 0.000 0.919 700 K HN 0.303 nan 8.250 nan 0.000 0.484 701 P HA 0.090 nan 4.420 nan 0.000 0.267 701 P C -2.324 174.987 177.300 0.018 0.000 1.200 701 P CA -0.912 62.198 63.100 0.018 0.000 0.772 701 P CB -0.403 31.304 31.700 0.012 0.000 0.855 702 P HA 0.123 nan 4.420 nan 0.000 0.274 702 P C -0.473 176.833 177.300 0.011 0.000 1.237 702 P CA -0.156 62.960 63.100 0.026 0.000 0.793 702 P CB 0.751 32.473 31.700 0.037 0.000 0.977 703 N N 1.434 120.136 118.700 0.004 0.000 2.626 703 N HA 0.306 5.046 4.740 -0.000 0.000 0.249 703 N C -1.152 174.344 175.510 -0.023 0.000 1.021 703 N CA -0.417 52.622 53.050 -0.017 0.000 0.886 703 N CB 0.925 39.391 38.487 -0.036 0.000 1.149 703 N HN 0.132 nan 8.380 nan 0.000 0.517 704 V N 1.447 121.350 119.914 -0.018 0.000 2.495 704 V HA 0.400 4.520 4.120 -0.000 0.000 0.298 704 V C 0.745 176.818 176.094 -0.036 0.000 1.031 704 V CA -0.966 61.322 62.300 -0.020 0.000 0.871 704 V CB 1.616 33.443 31.823 0.006 0.000 0.988 704 V HN 0.439 nan 8.190 nan 0.000 0.432 705 N N 2.833 121.497 118.700 -0.060 0.000 2.449 705 N HA 0.100 4.840 4.740 -0.000 0.000 0.191 705 N C 0.323 175.808 175.510 -0.042 0.000 1.161 705 N CA 0.140 53.148 53.050 -0.069 0.000 0.863 705 N CB -0.021 38.398 38.487 -0.113 0.000 0.980 705 N HN 0.827 nan 8.380 nan 0.000 0.458 706 R N -0.700 119.788 120.500 -0.020 0.000 2.808 706 R HA 0.493 4.832 4.340 -0.000 0.000 0.272 706 R C -2.818 173.491 176.300 0.014 0.000 0.995 706 R CA -1.831 54.270 56.100 0.001 0.000 0.917 706 R CB -0.150 30.157 30.300 0.012 0.000 1.217 706 R HN -0.096 nan 8.270 nan 0.000 0.471 707 P HA -0.003 nan 4.420 nan 0.000 0.264 707 P C -0.316 177.005 177.300 0.035 0.000 1.193 707 P CA -0.251 62.866 63.100 0.028 0.000 0.763 707 P CB 0.381 32.100 31.700 0.032 0.000 0.810 708 V N 3.863 123.798 119.914 0.034 0.000 2.458 708 V HA -0.020 4.100 4.120 -0.000 0.000 0.287 708 V C 0.982 177.105 176.094 0.048 0.000 1.009 708 V CA 0.023 62.348 62.300 0.042 0.000 1.091 708 V CB -0.526 31.322 31.823 0.041 0.000 0.960 708 V HN 0.561 nan 8.190 nan 0.000 0.476 709 N N 4.264 122.997 118.700 0.055 0.000 2.422 709 N HA 0.140 4.880 4.740 -0.000 0.000 0.264 709 N C 0.760 176.307 175.510 0.061 0.000 1.063 709 N CA 0.236 53.321 53.050 0.058 0.000 0.959 709 N CB 1.558 40.083 38.487 0.063 0.000 1.087 709 N HN 0.854 nan 8.380 nan 0.000 0.483 710 T N -0.662 113.927 114.554 0.058 0.000 3.182 710 T HA 0.242 4.591 4.350 -0.000 0.000 0.277 710 T C 1.405 176.141 174.700 0.061 0.000 1.013 710 T CA -0.103 62.035 62.100 0.062 0.000 0.900 710 T CB 0.144 69.047 68.868 0.058 0.000 1.098 710 T HN 0.322 nan 8.240 nan 0.000 0.543 711 G N 1.292 110.125 108.800 0.056 0.000 2.484 711 G HA2 0.439 4.399 3.960 -0.000 0.000 0.218 711 G HA3 0.439 4.399 3.960 -0.000 0.000 0.218 711 G C 1.023 175.955 174.900 0.054 0.000 1.130 711 G CA 0.115 45.245 45.100 0.049 0.000 0.784 711 G HN 1.234 nan 8.290 nan 0.000 0.543 712 G N -1.287 107.553 108.800 0.067 0.000 2.730 712 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.686 712 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.686 712 G C 0.335 175.274 174.900 0.065 0.000 1.343 712 G CA -0.174 44.974 45.100 0.079 0.000 0.826 712 G HN 0.652 nan 8.290 nan 0.000 0.582 713 L N 0.584 121.854 121.223 0.078 0.000 2.141 713 L HA 0.118 4.458 4.340 -0.000 0.000 0.209 713 L C 2.762 179.654 176.870 0.036 0.000 1.094 713 L CA 2.834 57.711 54.840 0.063 0.000 0.763 713 L CB -0.556 41.556 42.059 0.089 0.000 0.908 713 L HN 0.736 nan 8.230 nan 0.000 0.437 714 K N -0.963 119.452 120.400 0.026 0.000 2.044 714 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 714 K C 2.041 178.632 176.600 -0.015 0.000 1.049 714 K CA 1.655 57.932 56.287 -0.016 0.000 0.927 714 K CB -0.319 32.160 32.500 -0.034 0.000 0.713 714 K HN 0.479 nan 8.250 nan 0.000 0.443 715 A N 0.516 123.337 122.820 0.001 0.000 1.873 715 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 715 A C 2.280 179.865 177.584 0.002 0.000 1.186 715 A CA 1.385 53.423 52.037 0.003 0.000 0.616 715 A CB -0.551 18.457 19.000 0.015 0.000 0.823 715 A HN 0.103 nan 8.150 nan 0.000 0.442 716 V N -0.026 119.892 119.914 0.007 0.000 2.490 716 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 716 V C 2.736 178.815 176.094 -0.026 0.000 1.061 716 V CA 2.220 64.518 62.300 -0.004 0.000 1.064 716 V CB -0.791 31.033 31.823 0.002 0.000 0.670 716 V HN 0.537 nan 8.190 nan 0.000 0.461 717 S N -0.108 115.580 115.700 -0.021 0.000 2.355 717 S HA -0.181 4.289 4.470 -0.000 0.000 0.222 717 S C 1.906 176.479 174.600 -0.044 0.000 1.031 717 S CA 1.589 59.770 58.200 -0.033 0.000 0.993 717 S CB -0.457 62.729 63.200 -0.024 0.000 0.859 717 S HN 0.662 nan 8.310 nan 0.000 0.453 718 N N 0.937 119.616 118.700 -0.035 0.000 2.142 718 N HA -0.036 4.704 4.740 -0.000 0.000 0.186 718 N C 1.920 177.419 175.510 -0.018 0.000 1.023 718 N CA 0.938 53.969 53.050 -0.032 0.000 0.852 718 N CB -0.170 38.299 38.487 -0.030 0.000 0.998 718 N HN 0.374 nan 8.380 nan 0.000 0.424 719 A N 0.716 123.532 122.820 -0.006 0.000 2.019 719 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 719 A C 1.940 179.541 177.584 0.029 0.000 1.164 719 A CA 1.047 53.095 52.037 0.019 0.000 0.644 719 A CB -0.247 18.772 19.000 0.032 0.000 0.805 719 A HN 0.157 nan 8.150 nan 0.000 0.449 720 L N -0.300 120.909 121.223 -0.024 0.000 2.375 720 L HA 0.040 4.380 4.340 -0.000 0.000 0.215 720 L C 2.315 179.156 176.870 -0.048 0.000 1.108 720 L CA 1.802 56.600 54.840 -0.070 0.000 0.830 720 L CB -0.265 41.677 42.059 -0.195 0.000 0.959 720 L HN 0.616 nan 8.230 nan 0.000 0.457 721 K N -1.299 119.069 120.400 -0.054 0.000 2.365 721 K HA -0.081 4.239 4.320 -0.000 0.000 0.199 721 K C 1.584 178.161 176.600 -0.039 0.000 1.045 721 K CA 1.494 57.740 56.287 -0.069 0.000 0.962 721 K CB -0.643 31.814 32.500 -0.072 0.000 0.759 721 K HN 0.321 nan 8.250 nan 0.000 0.469 722 T N -2.662 111.891 114.554 -0.002 0.000 3.113 722 T HA 0.108 4.457 4.350 -0.000 0.000 0.263 722 T C 1.544 176.247 174.700 0.004 0.000 1.143 722 T CA 0.451 62.552 62.100 0.001 0.000 1.090 722 T CB -0.458 68.421 68.868 0.018 0.000 0.922 722 T HN 0.506 nan 8.240 nan 0.000 0.521 723 G N 1.271 110.108 108.800 0.062 0.000 2.168 723 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 723 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 723 G C 0.097 175.000 174.900 0.005 0.000 0.997 723 G CA 0.177 45.319 45.100 0.070 0.000 0.708 723 G HN 0.745 nan 8.290 nan 0.000 0.520 724 R N -0.169 120.390 120.500 0.098 0.000 2.451 724 R HA 0.616 4.956 4.340 -0.000 0.000 0.307 724 R C -0.783 175.610 176.300 0.155 0.000 0.965 724 R CA -0.614 55.488 56.100 0.003 0.000 0.865 724 R CB 0.959 31.269 30.300 0.017 0.000 1.174 724 R HN 0.600 nan 8.270 nan 0.000 0.455 725 Y N -0.154 120.224 120.300 0.130 0.000 2.656 725 Y HA 0.516 5.066 4.550 -0.000 0.000 0.334 725 Y C -0.623 175.390 175.900 0.188 0.000 1.179 725 Y CA -1.355 56.818 58.100 0.122 0.000 1.050 725 Y CB 0.785 39.289 38.460 0.073 0.000 1.308 725 Y HN 0.379 nan 8.280 nan 0.000 0.456 726 R N 0.968 121.667 120.500 0.331 0.000 2.615 726 R HA 0.260 4.600 4.340 -0.000 0.000 0.270 726 R C -0.455 176.080 176.300 0.391 0.000 1.081 726 R CA -0.483 55.785 56.100 0.281 0.000 1.154 726 R CB 0.395 30.822 30.300 0.210 0.000 1.063 726 R HN 0.794 nan 8.270 nan 0.000 0.519 727 N N 1.968 120.899 118.700 0.386 0.000 2.807 727 N HA -0.019 4.721 4.740 -0.000 0.000 0.259 727 N C -0.162 175.541 175.510 0.323 0.000 1.149 727 N CA 0.142 53.480 53.050 0.481 0.000 1.042 727 N CB 0.600 39.384 38.487 0.495 0.000 1.367 727 N HN 0.513 nan 8.380 nan 0.000 0.516 728 E N 1.263 121.630 120.200 0.279 0.000 2.418 728 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 728 E C 1.087 177.789 176.600 0.171 0.000 1.026 728 E CA 0.417 56.934 56.400 0.196 0.000 0.862 728 E CB 0.147 29.947 29.700 0.167 0.000 0.799 728 E HN 0.702 nan 8.360 nan 0.000 0.518 729 A N 1.052 124.005 122.820 0.222 0.000 2.016 729 A HA 0.233 4.552 4.320 -0.000 0.000 0.217 729 A C 1.475 179.135 177.584 0.127 0.000 1.162 729 A CA 1.261 53.393 52.037 0.158 0.000 0.662 729 A CB -0.296 18.837 19.000 0.222 0.000 0.812 729 A HN 0.315 nan 8.150 nan 0.000 0.450 730 G N -0.989 107.915 108.800 0.173 0.000 2.512 730 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 730 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 730 G C 0.707 175.639 174.900 0.054 0.000 1.199 730 G CA 0.320 45.494 45.100 0.124 0.000 0.941 730 G HN 1.156 nan 8.290 nan 0.000 0.569 731 L N 1.571 122.697 121.223 -0.161 0.000 1.994 731 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 731 L C 3.319 180.139 176.870 -0.084 0.000 1.071 731 L CA 3.728 58.383 54.840 -0.308 0.000 0.745 731 L CB -1.123 40.552 42.059 -0.639 0.000 0.892 731 L HN 1.426 nan 8.230 nan 0.000 0.431 732 S N -0.861 114.809 115.700 -0.051 0.000 2.419 732 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 732 S C 2.112 176.804 174.600 0.153 0.000 1.019 732 S CA 0.870 59.107 58.200 0.062 0.000 0.982 732 S CB -1.714 61.551 63.200 0.109 0.000 0.789 732 S HN 0.562 nan 8.310 nan 0.000 0.490 733 G N 2.180 111.066 108.800 0.144 0.000 2.446 733 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 733 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 733 G C 1.442 176.574 174.900 0.388 0.000 1.168 733 G CA 1.060 46.350 45.100 0.318 0.000 0.771 733 G HN 0.540 nan 8.290 nan 0.000 0.551 734 L N 0.224 121.592 121.223 0.242 0.000 2.056 734 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 734 L C 3.001 179.964 176.870 0.155 0.000 1.078 734 L CA 0.299 55.245 54.840 0.176 0.000 0.749 734 L CB -0.651 41.468 42.059 0.099 0.000 0.901 734 L HN 0.072 nan 8.230 nan 0.000 0.433 735 V N 0.408 120.401 119.914 0.132 0.000 2.252 735 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 735 V C 2.408 178.613 176.094 0.184 0.000 1.056 735 V CA 1.942 64.321 62.300 0.131 0.000 1.022 735 V CB -0.508 31.380 31.823 0.108 0.000 0.641 735 V HN 0.362 nan 8.190 nan 0.000 0.445 736 L N -1.189 120.177 121.223 0.239 0.000 2.156 736 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 736 L C 2.401 179.381 176.870 0.184 0.000 1.095 736 L CA 1.044 56.007 54.840 0.206 0.000 0.770 736 L CB -0.446 41.731 42.059 0.197 0.000 0.914 736 L HN 0.304 nan 8.230 nan 0.000 0.439 737 L N -0.182 121.200 121.223 0.266 0.000 1.970 737 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 737 L C 2.882 179.862 176.870 0.183 0.000 1.071 737 L CA 1.533 56.536 54.840 0.272 0.000 0.751 737 L CB -0.518 41.714 42.059 0.288 0.000 0.889 737 L HN 0.265 nan 8.230 nan 0.000 0.432 738 A N -0.806 122.097 122.820 0.138 0.000 1.908 738 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 738 A C 2.271 179.910 177.584 0.092 0.000 1.181 738 A CA 2.440 54.533 52.037 0.095 0.000 0.627 738 A CB -1.028 18.016 19.000 0.073 0.000 0.818 738 A HN 0.479 nan 8.150 nan 0.000 0.445 739 T N 0.391 115.006 114.554 0.100 0.000 2.746 739 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 739 T C 2.179 176.926 174.700 0.077 0.000 1.039 739 T CA 1.655 63.806 62.100 0.084 0.000 1.142 739 T CB -0.467 68.456 68.868 0.093 0.000 0.866 739 T HN 0.613 nan 8.240 nan 0.000 0.444 740 A N 1.152 124.028 122.820 0.093 0.000 1.930 740 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 740 A C 2.308 179.972 177.584 0.134 0.000 1.175 740 A CA 1.320 53.427 52.037 0.117 0.000 0.627 740 A CB -0.381 18.725 19.000 0.176 0.000 0.815 740 A HN 0.325 nan 8.150 nan 0.000 0.443 741 R N -0.584 119.994 120.500 0.129 0.000 2.300 741 R HA 0.192 4.532 4.340 -0.000 0.000 0.199 741 R C -0.183 176.160 176.300 0.071 0.000 0.920 741 R CA 0.363 56.526 56.100 0.105 0.000 1.046 741 R CB 0.225 30.586 30.300 0.103 0.000 0.984 741 R HN 0.439 nan 8.270 nan 0.000 0.493 742 S N -0.005 115.733 115.700 0.064 0.000 2.638 742 S HA 0.414 4.884 4.470 -0.000 0.000 0.298 742 S C -0.499 174.126 174.600 0.043 0.000 1.111 742 S CA -0.838 57.390 58.200 0.047 0.000 1.027 742 S CB 1.768 64.992 63.200 0.041 0.000 1.064 742 S HN 0.161 nan 8.310 nan 0.000 0.525 743 R N 0.930 121.449 120.500 0.032 0.000 2.640 743 R HA 0.063 4.403 4.340 -0.000 0.000 0.270 743 R C 1.409 177.722 176.300 0.021 0.000 1.024 743 R CA -0.203 55.912 56.100 0.025 0.000 1.085 743 R CB 0.053 30.361 30.300 0.014 0.000 0.963 743 R HN 0.589 nan 8.270 nan 0.000 0.426 744 L N 2.566 123.799 121.223 0.018 0.000 2.021 744 L HA -0.314 4.026 4.340 -0.000 0.000 0.215 744 L C 1.909 178.782 176.870 0.005 0.000 1.074 744 L CA 1.882 56.730 54.840 0.013 0.000 0.760 744 L CB -0.072 41.992 42.059 0.009 0.000 0.889 744 L HN 0.647 nan 8.230 nan 0.000 0.433 745 Q N -1.123 118.676 119.800 -0.001 0.000 2.435 745 Q HA -0.112 4.228 4.340 -0.000 0.000 0.207 745 Q C 0.527 176.526 176.000 -0.002 0.000 0.956 745 Q CA 0.610 56.409 55.803 -0.007 0.000 0.917 745 Q CB 0.158 28.889 28.738 -0.012 0.000 0.997 745 Q HN 0.529 nan 8.270 nan 0.000 0.497 746 D N 0.027 120.430 120.400 0.006 0.000 2.336 746 D HA 0.115 4.755 4.640 -0.000 0.000 0.228 746 D C 1.141 177.450 176.300 0.016 0.000 1.120 746 D CA 0.064 54.070 54.000 0.009 0.000 0.839 746 D CB 0.459 41.266 40.800 0.011 0.000 0.932 746 D HN 0.183 nan 8.370 nan 0.000 0.509 747 A N 0.270 123.100 122.820 0.018 0.000 1.883 747 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 747 A C 2.390 179.992 177.584 0.030 0.000 1.186 747 A CA 1.120 53.175 52.037 0.029 0.000 0.624 747 A CB -0.579 18.439 19.000 0.030 0.000 0.822 747 A HN 0.190 nan 8.150 nan 0.000 0.444 748 V N 0.121 120.046 119.914 0.019 0.000 2.332 748 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 748 V C 2.477 178.579 176.094 0.014 0.000 1.055 748 V CA 2.394 64.703 62.300 0.015 0.000 1.038 748 V CB -0.676 31.151 31.823 0.006 0.000 0.651 748 V HN 0.541 nan 8.190 nan 0.000 0.450 749 K N 0.026 120.433 120.400 0.013 0.000 2.057 749 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 749 K C 2.354 178.965 176.600 0.018 0.000 1.049 749 K CA 1.378 57.672 56.287 0.012 0.000 0.931 749 K CB -0.434 32.071 32.500 0.009 0.000 0.714 749 K HN 0.470 nan 8.250 nan 0.000 0.440 750 A N 2.057 124.892 122.820 0.025 0.000 1.917 750 A HA -0.263 4.056 4.320 -0.000 0.000 0.219 750 A C 2.078 179.684 177.584 0.037 0.000 1.182 750 A CA 1.895 53.953 52.037 0.034 0.000 0.633 750 A CB -0.433 18.594 19.000 0.045 0.000 0.819 750 A HN 0.254 nan 8.150 nan 0.000 0.448 751 K N -0.513 119.908 120.400 0.036 0.000 2.001 751 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 751 K C 2.249 178.859 176.600 0.017 0.000 1.048 751 K CA 1.236 57.541 56.287 0.030 0.000 0.932 751 K CB -0.400 32.114 32.500 0.023 0.000 0.715 751 K HN 0.342 nan 8.250 nan 0.000 0.437 752 A N 1.234 124.061 122.820 0.013 0.000 1.892 752 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 752 A C 1.988 179.580 177.584 0.013 0.000 1.188 752 A CA 2.183 54.225 52.037 0.009 0.000 0.631 752 A CB -0.717 18.287 19.000 0.007 0.000 0.822 752 A HN 0.501 nan 8.150 nan 0.000 0.447 753 E N -0.326 119.883 120.200 0.014 0.000 2.110 753 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 753 E C 2.084 178.695 176.600 0.018 0.000 0.988 753 E CA 1.341 57.748 56.400 0.013 0.000 0.804 753 E CB -0.379 29.327 29.700 0.010 0.000 0.745 753 E HN 0.551 nan 8.360 nan 0.000 0.458 754 A N 0.318 123.154 122.820 0.026 0.000 1.930 754 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 754 A C 1.967 179.579 177.584 0.047 0.000 1.175 754 A CA 1.464 53.522 52.037 0.035 0.000 0.627 754 A CB -0.400 18.626 19.000 0.042 0.000 0.815 754 A HN 0.243 nan 8.150 nan 0.000 0.443 755 E N -0.240 119.980 120.200 0.035 0.000 2.150 755 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 755 E C 1.950 178.591 176.600 0.069 0.000 0.985 755 E CA 1.200 57.630 56.400 0.049 0.000 0.814 755 E CB -0.068 29.645 29.700 0.022 0.000 0.752 755 E HN 0.580 nan 8.360 nan 0.000 0.466 756 K N 0.258 120.683 120.400 0.041 0.000 2.103 756 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 756 K C 2.054 178.671 176.600 0.027 0.000 1.052 756 K CA 0.559 56.863 56.287 0.028 0.000 0.945 756 K CB -0.035 32.472 32.500 0.012 0.000 0.722 756 K HN 0.024 nan 8.250 nan 0.000 0.443 757 L N 0.779 122.023 121.223 0.035 0.000 2.093 757 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 757 L C 2.238 179.137 176.870 0.049 0.000 1.085 757 L CA 1.809 56.663 54.840 0.024 0.000 0.755 757 L CB -0.524 41.542 42.059 0.011 0.000 0.904 757 L HN 0.312 nan 8.230 nan 0.000 0.435 758 H N -0.637 118.428 119.070 -0.008 0.000 2.395 758 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 758 H C 1.839 177.166 175.328 -0.002 0.000 1.070 758 H CA 1.144 57.192 56.048 -0.001 0.000 1.356 758 H CB 0.469 30.235 29.762 0.007 0.000 1.401 758 H HN 0.230 nan 8.280 nan 0.000 0.524 759 K N 0.617 121.027 120.400 0.017 0.000 2.147 759 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 759 K C 2.305 178.868 176.600 -0.062 0.000 1.049 759 K CA 0.905 57.173 56.287 -0.033 0.000 0.936 759 K CB -0.321 32.188 32.500 0.014 0.000 0.722 759 K HN 0.208 nan 8.250 nan 0.000 0.446 760 S N 0.523 116.195 115.700 -0.046 0.000 2.420 760 S HA -0.117 4.353 4.470 -0.000 0.000 0.237 760 S C 0.941 175.503 174.600 -0.063 0.000 1.023 760 S CA 1.188 59.361 58.200 -0.045 0.000 0.991 760 S CB 0.202 63.382 63.200 -0.033 0.000 0.792 760 S HN 0.096 nan 8.310 nan 0.000 0.488 761 K N 0.706 121.045 120.400 -0.102 0.000 2.307 761 K HA 0.551 4.870 4.320 -0.000 0.000 0.239 761 K C -2.513 174.008 176.600 -0.131 0.000 1.083 761 K CA -1.921 54.305 56.287 -0.103 0.000 0.913 761 K CB 0.326 32.770 32.500 -0.092 0.000 1.322 761 K HN 0.142 nan 8.250 nan 0.000 0.514 767 A N 0.048 122.920 122.820 0.086 0.000 3.894 767 A HA 0.540 4.860 4.320 -0.000 0.000 0.155 767 A C 0.902 178.550 177.584 0.107 0.000 1.539 767 A CA 1.103 53.191 52.037 0.084 0.000 1.073 767 A CB -0.615 18.415 19.000 0.050 0.000 1.250 767 A HN 0.862 nan 8.150 nan 0.000 0.538 768 D N -1.797 118.648 120.400 0.074 0.000 2.458 768 D HA 0.042 4.682 4.640 -0.000 0.000 0.243 768 D C 0.519 176.870 176.300 0.085 0.000 1.146 768 D CA 0.165 54.210 54.000 0.075 0.000 0.877 768 D CB 0.288 41.116 40.800 0.047 0.000 1.176 768 D HN 0.393 nan 8.370 nan 0.000 0.461 769 W N 4.495 125.747 121.300 -0.080 0.000 2.441 769 W HA -0.085 4.574 4.660 -0.000 0.000 0.302 769 W C 1.633 178.125 176.519 -0.046 0.000 1.191 769 W CA 0.434 57.749 57.345 -0.050 0.000 1.327 769 W CB -0.373 29.065 29.460 -0.037 0.000 1.128 769 W HN 0.593 nan 8.180 nan 0.000 0.522 770 F N 2.113 122.060 119.950 -0.004 0.000 2.134 770 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 770 F C 2.419 178.090 175.800 -0.214 0.000 1.097 770 F CA 3.181 61.138 58.000 -0.072 0.000 1.264 770 F CB -1.118 37.880 39.000 -0.003 0.000 1.001 770 F HN 0.038 nan 8.300 nan 0.000 0.479 771 E N 0.613 120.713 120.200 -0.165 0.000 2.031 771 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 771 E C 2.137 178.538 176.600 -0.332 0.000 0.994 771 E CA 1.646 57.905 56.400 -0.236 0.000 0.800 771 E CB -0.935 28.722 29.700 -0.072 0.000 0.752 771 E HN 0.362 nan 8.360 nan 0.000 0.447 772 R N 0.412 120.723 120.500 -0.317 0.000 2.117 772 R HA -0.099 4.241 4.340 -0.000 0.000 0.243 772 R C 2.741 178.752 176.300 -0.482 0.000 1.143 772 R CA 1.687 57.585 56.100 -0.336 0.000 0.968 772 R CB -0.734 29.391 30.300 -0.292 0.000 0.863 772 R HN 0.502 nan 8.270 nan 0.000 0.444 773 S N -0.001 115.222 115.700 -0.794 0.000 2.368 773 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 773 S C 1.677 175.968 174.600 -0.514 0.000 1.029 773 S CA 1.173 58.886 58.200 -0.811 0.000 0.988 773 S CB -0.104 62.328 63.200 -1.280 0.000 0.838 773 S HN 0.369 nan 8.310 nan 0.000 0.462 774 E N -0.072 119.789 120.200 -0.565 0.000 2.112 774 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 774 E C 2.109 178.550 176.600 -0.265 0.000 0.979 774 E CA 1.361 57.502 56.400 -0.431 0.000 0.814 774 E CB -0.301 29.070 29.700 -0.547 0.000 0.762 774 E HN 0.562 nan 8.360 nan 0.000 0.460 775 T N 1.950 116.357 114.554 -0.246 0.000 2.777 775 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 775 T C 1.971 176.593 174.700 -0.130 0.000 1.040 775 T CA 0.707 62.712 62.100 -0.159 0.000 1.141 775 T CB -0.184 68.602 68.868 -0.136 0.000 0.868 775 T HN 0.084 nan 8.240 nan 0.000 0.444 776 L N 0.579 121.711 121.223 -0.151 0.000 2.201 776 L HA 0.009 4.349 4.340 -0.000 0.000 0.212 776 L C 2.549 179.369 176.870 -0.084 0.000 1.105 776 L CA 1.100 55.878 54.840 -0.103 0.000 0.775 776 L CB -0.351 41.646 42.059 -0.104 0.000 0.913 776 L HN 0.122 nan 8.230 nan 0.000 0.440 777 S N -0.460 115.172 115.700 -0.114 0.000 2.383 777 S HA -0.168 4.301 4.470 -0.000 0.000 0.227 777 S C 1.487 176.050 174.600 -0.061 0.000 1.026 777 S CA 1.403 59.554 58.200 -0.082 0.000 0.981 777 S CB -0.282 62.854 63.200 -0.107 0.000 0.818 777 S HN 0.573 nan 8.310 nan 0.000 0.472 778 D N 1.337 121.693 120.400 -0.073 0.000 2.117 778 D HA -0.006 4.634 4.640 -0.000 0.000 0.198 778 D C 1.875 178.152 176.300 -0.038 0.000 0.982 778 D CA 0.715 54.683 54.000 -0.053 0.000 0.828 778 D CB -0.372 40.392 40.800 -0.060 0.000 0.967 778 D HN 0.352 nan 8.370 nan 0.000 0.464 779 L N 0.237 121.436 121.223 -0.040 0.000 2.141 779 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 779 L C 2.405 179.265 176.870 -0.016 0.000 1.094 779 L CA 0.583 55.407 54.840 -0.027 0.000 0.763 779 L CB -0.254 41.789 42.059 -0.026 0.000 0.908 779 L HN 0.025 nan 8.230 nan 0.000 0.437 780 L N -0.253 120.961 121.223 -0.015 0.000 2.156 780 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 780 L C 3.107 179.976 176.870 -0.002 0.000 1.095 780 L CA 1.260 56.098 54.840 -0.003 0.000 0.770 780 L CB -0.900 41.160 42.059 0.003 0.000 0.914 780 L HN 0.318 nan 8.230 nan 0.000 0.439 781 E N 0.935 121.130 120.200 -0.008 0.000 2.112 781 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 781 E C 2.124 178.720 176.600 -0.006 0.000 0.979 781 E CA 1.078 57.475 56.400 -0.006 0.000 0.814 781 E CB -0.347 29.347 29.700 -0.009 0.000 0.762 781 E HN 0.467 nan 8.360 nan 0.000 0.460 782 K N -0.358 120.036 120.400 -0.010 0.000 2.148 782 K HA 0.116 4.436 4.320 -0.000 0.000 0.204 782 K C 2.260 178.857 176.600 -0.005 0.000 1.050 782 K CA 0.916 57.198 56.287 -0.009 0.000 0.942 782 K CB 0.047 32.540 32.500 -0.012 0.000 0.724 782 K HN 0.342 nan 8.250 nan 0.000 0.446 783 A N 0.750 123.568 122.820 -0.004 0.000 2.251 783 A HA 0.113 4.433 4.320 -0.000 0.000 0.209 783 A C 0.735 178.319 177.584 0.001 0.000 1.187 783 A CA 1.084 53.120 52.037 -0.001 0.000 0.823 783 A CB -0.682 18.318 19.000 0.000 0.000 0.846 783 A HN 0.486 nan 8.150 nan 0.000 0.486 784 D N -0.716 119.685 120.400 0.001 0.000 2.911 784 D HA -0.230 4.410 4.640 -0.000 0.000 0.227 784 D C 0.691 176.995 176.300 0.006 0.000 1.164 784 D CA 1.456 55.458 54.000 0.003 0.000 0.782 784 D CB -2.603 38.198 40.800 0.002 0.000 1.094 784 D HN 1.309 nan 8.370 nan 0.000 0.425 785 I N -4.685 115.890 120.570 0.008 0.000 3.941 785 I HA 0.620 4.790 4.170 -0.000 0.000 0.321 785 I C 1.569 177.696 176.117 0.018 0.000 1.284 785 I CA 0.473 61.780 61.300 0.012 0.000 1.226 785 I CB 0.436 38.443 38.000 0.012 0.000 1.045 785 I HN 0.671 nan 8.210 nan 0.000 0.420 786 A N 2.124 124.955 122.820 0.018 0.000 2.440 786 A HA 0.502 4.822 4.320 -0.000 0.000 0.251 786 A C 0.725 178.326 177.584 0.029 0.000 1.089 786 A CA 0.085 52.137 52.037 0.025 0.000 0.779 786 A CB 0.011 19.022 19.000 0.018 0.000 1.022 786 A HN 0.558 nan 8.150 nan 0.000 0.492 787 S N 2.454 118.178 115.700 0.040 0.000 2.617 787 S HA 0.417 4.887 4.470 -0.000 0.000 0.269 787 S C -0.076 174.559 174.600 0.058 0.000 1.292 787 S CA -0.704 57.527 58.200 0.051 0.000 1.010 787 S CB 0.591 63.828 63.200 0.062 0.000 0.944 787 S HN 0.632 nan 8.310 nan 0.000 0.536 788 K N 0.836 121.283 120.400 0.078 0.000 2.276 788 K HA 0.306 4.626 4.320 -0.000 0.000 0.259 788 K C -0.208 176.433 176.600 0.068 0.000 1.001 788 K CA -0.671 55.662 56.287 0.078 0.000 0.927 788 K CB 0.227 32.795 32.500 0.112 0.000 0.969 788 K HN 0.550 nan 8.250 nan 0.000 0.490 789 V N 0.384 120.315 119.914 0.029 0.000 2.673 789 V HA 0.147 4.267 4.120 -0.000 0.000 0.303 789 V C 1.067 177.129 176.094 -0.052 0.000 1.046 789 V CA 0.189 62.488 62.300 -0.001 0.000 1.126 789 V CB 0.056 31.873 31.823 -0.011 0.000 0.934 789 V HN 1.001 nan 8.190 nan 0.000 0.487 790 A N 2.341 125.125 122.820 -0.061 0.000 2.979 790 A HA -0.210 4.109 4.320 -0.000 0.000 0.260 790 A C 0.569 178.025 177.584 -0.213 0.000 1.282 790 A CA 1.397 53.352 52.037 -0.135 0.000 0.971 790 A CB -2.471 16.416 19.000 -0.189 0.000 1.124 790 A HN 1.250 nan 8.150 nan 0.000 0.826 791 H N 0.217 119.293 119.070 0.010 0.000 2.674 791 H HA 0.362 4.917 4.556 -0.000 0.000 0.235 791 H C 0.692 176.029 175.328 0.016 0.000 1.330 791 H CA 0.259 56.313 56.048 0.011 0.000 1.052 791 H CB 0.053 29.821 29.762 0.010 0.000 1.954 791 H HN 0.787 nan 8.280 nan 0.000 0.566 792 S N -0.608 115.165 115.700 0.121 0.000 2.589 792 S HA 0.256 4.726 4.470 -0.000 0.000 0.265 792 S C 1.816 176.463 174.600 0.079 0.000 1.342 792 S CA -0.024 58.229 58.200 0.089 0.000 1.005 792 S CB 1.561 64.804 63.200 0.072 0.000 0.909 792 S HN 0.363 nan 8.310 nan 0.000 0.555 793 A N 1.568 124.426 122.820 0.064 0.000 1.948 793 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 793 A C 2.123 179.732 177.584 0.042 0.000 1.177 793 A CA 1.530 53.596 52.037 0.047 0.000 0.636 793 A CB -1.054 17.971 19.000 0.042 0.000 0.815 793 A HN 0.879 nan 8.150 nan 0.000 0.449 794 L N -0.414 120.835 121.223 0.044 0.000 1.990 794 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 794 L C 2.561 179.452 176.870 0.035 0.000 1.072 794 L CA 1.824 56.684 54.840 0.032 0.000 0.755 794 L CB -0.339 41.742 42.059 0.037 0.000 0.889 794 L HN 0.305 nan 8.230 nan 0.000 0.432 795 V N -0.575 119.370 119.914 0.051 0.000 2.343 795 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 795 V C 2.502 178.635 176.094 0.066 0.000 1.051 795 V CA 1.558 63.895 62.300 0.061 0.000 1.036 795 V CB -0.549 31.326 31.823 0.087 0.000 0.654 795 V HN 0.443 nan 8.190 nan 0.000 0.451 796 E N 0.086 120.323 120.200 0.062 0.000 2.058 796 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 796 E C 2.451 179.072 176.600 0.036 0.000 0.997 796 E CA 2.030 58.453 56.400 0.038 0.000 0.801 796 E CB -0.570 29.140 29.700 0.018 0.000 0.746 796 E HN 0.647 nan 8.360 nan 0.000 0.450 797 T N -0.207 114.370 114.554 0.038 0.000 2.904 797 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 797 T C 2.107 176.838 174.700 0.052 0.000 1.059 797 T CA 1.751 63.879 62.100 0.047 0.000 1.137 797 T CB -0.107 68.787 68.868 0.044 0.000 0.879 797 T HN 0.096 nan 8.240 nan 0.000 0.467 798 S N 0.681 116.405 115.700 0.040 0.000 2.359 798 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 798 S C 1.787 176.413 174.600 0.043 0.000 1.035 798 S CA 1.994 60.217 58.200 0.038 0.000 1.018 798 S CB -0.842 62.372 63.200 0.022 0.000 0.876 798 S HN 0.607 nan 8.310 nan 0.000 0.448 799 D N 1.450 121.874 120.400 0.040 0.000 2.117 799 D HA 0.033 4.673 4.640 -0.000 0.000 0.197 799 D C 2.184 178.507 176.300 0.038 0.000 0.987 799 D CA 1.373 55.394 54.000 0.035 0.000 0.829 799 D CB -0.703 40.119 40.800 0.037 0.000 0.961 799 D HN 0.525 nan 8.370 nan 0.000 0.460 800 A N 0.178 123.026 122.820 0.046 0.000 2.067 800 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 800 A C 2.246 179.882 177.584 0.087 0.000 1.158 800 A CA 0.595 52.666 52.037 0.057 0.000 0.661 800 A CB -0.538 18.498 19.000 0.059 0.000 0.801 800 A HN 0.206 nan 8.150 nan 0.000 0.452 801 L N -0.289 120.994 121.223 0.100 0.000 2.179 801 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 801 L C 1.905 178.853 176.870 0.130 0.000 1.096 801 L CA 1.337 56.268 54.840 0.150 0.000 0.779 801 L CB -0.229 41.920 42.059 0.150 0.000 0.922 801 L HN 0.663 nan 8.230 nan 0.000 0.443 802 E N -0.140 120.099 120.200 0.064 0.000 2.411 802 E HA 0.233 4.583 4.350 -0.000 0.000 0.204 802 E C 1.128 177.716 176.600 -0.019 0.000 1.059 802 E CA 0.265 56.671 56.400 0.010 0.000 1.112 802 E CB 0.464 30.168 29.700 0.007 0.000 1.168 802 E HN 0.267 nan 8.360 nan 0.000 0.445 803 A N 1.890 124.706 122.820 -0.007 0.000 1.861 803 A HA 0.370 4.690 4.320 -0.000 0.000 0.214 803 A C 1.504 179.056 177.584 -0.054 0.000 1.322 803 A CA 1.759 53.786 52.037 -0.016 0.000 0.601 803 A CB -0.995 18.009 19.000 0.008 0.000 0.966 803 A HN 1.127 nan 8.150 nan 0.000 0.471 804 V N 0.000 119.871 119.914 -0.071 0.000 2.409 804 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 804 V CA 0.000 62.237 62.300 -0.105 0.000 1.235 804 V CB 0.000 nan 31.823 nan 0.000 1.184 804 V HN 0.000 nan 8.190 nan 0.000 0.556