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 1xl8_1_A DATA FIRST_RESID 11 DATA SEQUENCE ERTFQYQDSL PSLPVPALEE SLKKYLESVK PFANEDEYKK TEEIVQKFQE DATA SEQUENCE GAGKRLHQKL LERARGKRNW LEEWWLNVAY LDVRIPSQLN VNFVGPCPHF DATA SEQUENCE EHYWPAREGT QLERGSXXLW HNLNYWQLLR REKLPVHKSG NTPLDXNQFR DATA SEQUENCE XLFSTCKVPG ITRDSIXNYF KTESEGHCPT HIAVLCRGRA FVFDVLHEGC DATA SEQUENCE LITPPELLRQ LTYIHKKCSN EPVGPSIAAL TSEERTRWAK AREYLISLDP DATA SEQUENCE ENLTLLEKIQ TSLFVYSIED SSPHATPEEY SQVFEXLLGG DPSVRWGDKS DATA SEQUENCE YNLISFANGI FGCCCDHAPY DAXVXVNIAH YVDERVLETE GRWKGSEKVR DATA SEQUENCE DIPLPEELVF TVDEKILNDV SQAKAQHLKA ASDLQIAAST FTXXXXXXXX DATA SEQUENCE XXXLHPDTFI QLALQLAYYR LHGRPGCCYE TAXTRYFYHG RTETVRSCTV DATA SEQUENCE EAVRWCQSXQ DPSASLLERQ QKXLEAFAKH NKXXKDCSHG KGFDRHLLGL DATA SEQUENCE LLIAKEEGLP VPELFEDPLF SRSGGGGNFV LSTSLVGYLR VQGVVVPXVH DATA SEQUENCE NGYGFFYHIR DDRFVVACSS WRSCPETDAE KLVQXIFHAF HDXIQLXNTA DATA SEQUENCE HL 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 11 E HA 0.000 nan 4.350 nan 0.000 0.291 11 E C 0.000 176.534 176.600 -0.110 0.000 1.382 11 E CA 0.000 56.352 56.400 -0.079 0.000 0.976 11 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 12 R N 1.801 122.209 120.500 -0.154 0.000 2.598 12 R HA 0.380 4.720 4.340 0.000 0.000 0.279 12 R C 0.924 177.100 176.300 -0.207 0.000 0.984 12 R CA -0.163 55.848 56.100 -0.148 0.000 0.999 12 R CB 1.191 31.433 30.300 -0.096 0.000 1.114 12 R HN 0.564 nan 8.270 nan 0.000 0.493 13 T N 1.344 115.730 114.554 -0.281 0.000 2.665 13 T HA -0.168 4.182 4.350 0.000 0.000 0.268 13 T C 0.776 175.120 174.700 -0.593 0.000 1.035 13 T CA 1.729 63.507 62.100 -0.538 0.000 1.151 13 T CB -0.113 68.236 68.868 -0.866 0.000 0.862 13 T HN 0.454 nan 8.240 nan 0.000 0.438 14 F N 1.234 121.158 119.950 -0.044 0.000 2.647 14 F HA 0.253 4.780 4.527 0.000 0.000 0.300 14 F C 2.003 177.786 175.800 -0.028 0.000 1.106 14 F CA -0.734 57.268 58.000 0.004 0.000 1.313 14 F CB -0.355 38.675 39.000 0.049 0.000 1.007 14 F HN 0.195 nan 8.300 nan 0.000 0.536 15 Q N -0.849 118.923 119.800 -0.046 0.000 2.437 15 Q HA -0.154 4.186 4.340 0.000 0.000 0.210 15 Q C 0.522 176.394 176.000 -0.214 0.000 0.972 15 Q CA 1.558 57.255 55.803 -0.177 0.000 0.903 15 Q CB -0.387 28.135 28.738 -0.360 0.000 0.967 15 Q HN 0.464 nan 8.270 nan 0.000 0.486 16 Y N 0.628 120.986 120.300 0.095 0.000 2.458 16 Y HA 0.180 4.730 4.550 0.000 0.000 0.256 16 Y C 1.926 177.908 175.900 0.137 0.000 1.159 16 Y CA -0.268 57.887 58.100 0.092 0.000 1.261 16 Y CB 0.413 38.910 38.460 0.062 0.000 1.119 16 Y HN 0.094 nan 8.280 nan 0.000 0.524 17 Q N 0.394 120.374 119.800 0.299 0.000 2.096 17 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 17 Q C 0.928 177.114 176.000 0.309 0.000 0.982 17 Q CA 1.469 57.470 55.803 0.330 0.000 0.850 17 Q CB -0.218 28.729 28.738 0.348 0.000 0.901 17 Q HN 0.517 nan 8.270 nan 0.000 0.422 18 D N -0.097 120.431 120.400 0.213 0.000 2.371 18 D HA -0.053 4.587 4.640 0.000 0.000 0.221 18 D C 1.539 177.911 176.300 0.119 0.000 0.986 18 D CA 0.863 54.943 54.000 0.134 0.000 0.899 18 D CB 0.135 40.988 40.800 0.089 0.000 0.902 18 D HN 0.261 nan 8.370 nan 0.000 0.530 19 S N -0.675 115.127 115.700 0.170 0.000 2.539 19 S HA 0.125 4.595 4.470 0.000 0.000 0.221 19 S C 0.872 175.561 174.600 0.148 0.000 0.987 19 S CA -0.456 57.833 58.200 0.149 0.000 0.929 19 S CB 0.089 63.401 63.200 0.185 0.000 0.832 19 S HN 0.035 nan 8.310 nan 0.000 0.492 20 L N 3.488 124.827 121.223 0.193 0.000 2.456 20 L HA 0.330 4.670 4.340 0.000 0.000 0.272 20 L C -1.887 175.101 176.870 0.196 0.000 1.189 20 L CA -1.682 53.280 54.840 0.203 0.000 0.846 20 L CB 0.152 42.386 42.059 0.291 0.000 1.111 20 L HN 0.182 nan 8.230 nan 0.000 0.475 21 P HA 0.121 nan 4.420 nan 0.000 0.276 21 P C -0.674 176.839 177.300 0.354 0.000 1.244 21 P CA -0.518 62.735 63.100 0.255 0.000 0.801 21 P CB 0.972 32.847 31.700 0.291 0.000 1.006 22 S N 0.697 116.536 115.700 0.232 0.000 2.572 22 S HA 0.111 4.581 4.470 0.000 0.000 0.279 22 S C 0.449 175.110 174.600 0.101 0.000 1.341 22 S CA -0.406 57.893 58.200 0.164 0.000 1.043 22 S CB -0.105 63.141 63.200 0.077 0.000 0.887 22 S HN 0.434 nan 8.310 nan 0.000 0.516 23 L N 5.480 126.712 121.223 0.016 0.000 2.455 23 L HA 0.295 4.635 4.340 0.000 0.000 0.272 23 L C -1.992 174.777 176.870 -0.169 0.000 1.174 23 L CA -0.988 53.672 54.840 -0.300 0.000 0.869 23 L CB 0.026 41.939 42.059 -0.243 0.000 1.130 23 L HN 0.361 nan 8.230 nan 0.000 0.474 24 P HA 0.205 nan 4.420 nan 0.000 0.278 24 P C -1.415 175.941 177.300 0.094 0.000 1.266 24 P CA -0.442 62.592 63.100 -0.110 0.000 0.807 24 P CB 1.431 33.012 31.700 -0.198 0.000 1.094 25 V N 2.319 122.216 119.914 -0.030 0.000 2.378 25 V HA 0.287 4.407 4.120 0.000 0.000 0.288 25 V C -1.981 174.030 176.094 -0.139 0.000 1.016 25 V CA -1.684 60.495 62.300 -0.203 0.000 0.840 25 V CB 0.798 32.362 31.823 -0.431 0.000 0.994 25 V HN 0.567 nan 8.190 nan 0.000 0.431 26 P HA 0.261 nan 4.420 nan 0.000 0.271 26 P C -0.302 177.070 177.300 0.120 0.000 1.244 26 P CA -0.179 62.937 63.100 0.027 0.000 0.793 26 P CB 0.492 32.296 31.700 0.173 0.000 0.984 27 A N 1.317 124.220 122.820 0.138 0.000 2.440 27 A HA 0.107 4.427 4.320 0.000 0.000 0.251 27 A C 1.430 179.047 177.584 0.056 0.000 1.089 27 A CA -0.369 51.720 52.037 0.086 0.000 0.779 27 A CB -0.541 18.493 19.000 0.056 0.000 1.022 27 A HN 0.767 nan 8.150 nan 0.000 0.492 28 L N 1.208 122.276 121.223 -0.259 0.000 1.990 28 L HA -0.199 4.141 4.340 0.000 0.000 0.213 28 L C 2.443 179.254 176.870 -0.098 0.000 1.072 28 L CA 2.483 57.151 54.840 -0.287 0.000 0.755 28 L CB -0.276 41.453 42.059 -0.551 0.000 0.889 28 L HN 1.081 nan 8.230 nan 0.000 0.432 29 E N -0.600 119.554 120.200 -0.076 0.000 2.085 29 E HA -0.255 4.095 4.350 0.000 0.000 0.194 29 E C 1.970 178.570 176.600 -0.000 0.000 0.994 29 E CA 1.199 57.581 56.400 -0.030 0.000 0.801 29 E CB 0.156 29.842 29.700 -0.023 0.000 0.743 29 E HN 0.430 nan 8.360 nan 0.000 0.453 30 E N 0.297 120.514 120.200 0.028 0.000 2.058 30 E HA -0.151 4.200 4.350 0.000 0.000 0.194 30 E C 2.256 178.898 176.600 0.070 0.000 0.997 30 E CA 1.013 57.447 56.400 0.056 0.000 0.801 30 E CB -0.412 29.340 29.700 0.086 0.000 0.746 30 E HN 0.124 nan 8.360 nan 0.000 0.450 31 S N 0.941 116.711 115.700 0.117 0.000 2.356 31 S HA -0.087 4.383 4.470 0.000 0.000 0.223 31 S C 2.157 176.719 174.600 -0.064 0.000 1.032 31 S CA 0.826 59.108 58.200 0.136 0.000 1.005 31 S CB -0.243 63.086 63.200 0.213 0.000 0.867 31 S HN 0.188 nan 8.310 nan 0.000 0.449 32 L N 0.888 122.084 121.223 -0.046 0.000 2.083 32 L HA -0.118 4.222 4.340 0.000 0.000 0.209 32 L C 2.354 179.185 176.870 -0.065 0.000 1.083 32 L CA 1.184 56.005 54.840 -0.031 0.000 0.752 32 L CB -0.475 41.597 42.059 0.021 0.000 0.899 32 L HN 0.242 nan 8.230 nan 0.000 0.433 33 K N 0.368 120.731 120.400 -0.062 0.000 2.057 33 K HA -0.149 4.171 4.320 0.000 0.000 0.207 33 K C 2.129 178.658 176.600 -0.119 0.000 1.049 33 K CA 1.240 57.490 56.287 -0.061 0.000 0.931 33 K CB -0.042 32.445 32.500 -0.022 0.000 0.714 33 K HN 0.242 nan 8.250 nan 0.000 0.440 34 K N -0.132 120.166 120.400 -0.169 0.000 2.097 34 K HA -0.176 4.144 4.320 0.000 0.000 0.205 34 K C 2.092 178.349 176.600 -0.571 0.000 1.050 34 K CA 1.353 57.504 56.287 -0.226 0.000 0.938 34 K CB -0.184 32.290 32.500 -0.043 0.000 0.718 34 K HN 0.242 nan 8.250 nan 0.000 0.442 35 Y N 1.706 121.380 120.300 -1.044 0.000 2.133 35 Y HA -0.207 4.343 4.550 0.000 0.000 0.287 35 Y C 2.011 177.719 175.900 -0.320 0.000 1.134 35 Y CA 1.179 58.690 58.100 -0.982 0.000 1.133 35 Y CB -0.176 37.856 38.460 -0.713 0.000 0.987 35 Y HN -0.097 nan 8.280 nan 0.000 0.502 36 L N 0.410 121.341 121.223 -0.486 0.000 2.043 36 L HA -0.261 4.079 4.340 0.000 0.000 0.212 36 L C 2.514 179.308 176.870 -0.126 0.000 1.075 36 L CA 1.949 56.577 54.840 -0.354 0.000 0.752 36 L CB -0.507 41.470 42.059 -0.137 0.000 0.891 36 L HN 0.315 nan 8.230 nan 0.000 0.432 37 E N -0.086 120.050 120.200 -0.106 0.000 2.153 37 E HA -0.200 4.150 4.350 0.000 0.000 0.194 37 E C 2.192 178.769 176.600 -0.038 0.000 0.988 37 E CA 1.419 57.791 56.400 -0.047 0.000 0.811 37 E CB -0.055 29.623 29.700 -0.036 0.000 0.746 37 E HN 0.474 nan 8.360 nan 0.000 0.466 38 S N -0.595 115.082 115.700 -0.039 0.000 2.453 38 S HA -0.104 4.366 4.470 0.000 0.000 0.231 38 S C 1.988 176.672 174.600 0.139 0.000 1.005 38 S CA 0.899 59.157 58.200 0.096 0.000 0.949 38 S CB -0.380 62.981 63.200 0.268 0.000 0.774 38 S HN 0.271 nan 8.310 nan 0.000 0.510 39 V N -0.994 118.925 119.914 0.008 0.000 3.406 39 V HA 0.227 4.347 4.120 0.000 0.000 0.263 39 V C 2.045 178.228 176.094 0.149 0.000 1.172 39 V CA 0.637 63.019 62.300 0.135 0.000 1.140 39 V CB -0.840 30.940 31.823 -0.071 0.000 0.784 39 V HN 0.296 nan 8.190 nan 0.000 0.467 40 K N 1.278 121.686 120.400 0.012 0.000 2.074 40 K HA -0.110 4.210 4.320 0.000 0.000 0.209 40 K C -0.084 176.404 176.600 -0.188 0.000 1.048 40 K CA 2.206 58.419 56.287 -0.123 0.000 0.926 40 K CB -1.530 30.827 32.500 -0.239 0.000 0.713 40 K HN 0.478 nan 8.250 nan 0.000 0.444 41 P HA -0.127 nan 4.420 nan 0.000 0.228 41 P C 0.250 177.128 177.300 -0.704 0.000 1.151 41 P CA 1.119 63.859 63.100 -0.599 0.000 0.770 41 P CB 0.071 31.251 31.700 -0.867 0.000 0.786 42 F N -1.905 118.050 119.950 0.009 0.000 2.683 42 F HA 0.518 5.045 4.527 0.000 0.000 0.306 42 F C 0.919 176.732 175.800 0.022 0.000 1.102 42 F CA -0.578 57.432 58.000 0.018 0.000 1.244 42 F CB 0.054 39.060 39.000 0.011 0.000 1.029 42 F HN -0.213 nan 8.300 nan 0.000 0.545 43 A N 0.497 123.383 122.820 0.111 0.000 2.498 43 A HA 0.676 4.996 4.320 0.000 0.000 0.298 43 A C -0.665 176.951 177.584 0.053 0.000 1.075 43 A CA -0.805 51.296 52.037 0.107 0.000 0.714 43 A CB 1.174 20.271 19.000 0.161 0.000 1.299 43 A HN 0.193 nan 8.150 nan 0.000 0.407 44 N N 0.029 118.767 118.700 0.064 0.000 2.491 44 N HA 0.309 5.049 4.740 0.000 0.000 0.279 44 N C 0.468 176.019 175.510 0.068 0.000 1.236 44 N CA -0.152 52.922 53.050 0.041 0.000 0.982 44 N CB 0.238 38.747 38.487 0.037 0.000 1.194 44 N HN 0.648 nan 8.380 nan 0.000 0.582 45 E N -0.587 119.642 120.200 0.049 0.000 2.065 45 E HA -0.260 4.090 4.350 0.000 0.000 0.201 45 E C 0.585 177.248 176.600 0.105 0.000 1.016 45 E CA 1.880 58.325 56.400 0.074 0.000 0.818 45 E CB -0.167 29.559 29.700 0.043 0.000 0.749 45 E HN 0.576 nan 8.360 nan 0.000 0.453 46 D N 0.353 120.794 120.400 0.069 0.000 2.084 46 D HA -0.150 4.490 4.640 0.000 0.000 0.194 46 D C 1.921 178.255 176.300 0.056 0.000 0.990 46 D CA 1.135 55.168 54.000 0.054 0.000 0.826 46 D CB -0.206 40.616 40.800 0.036 0.000 0.971 46 D HN 0.273 nan 8.370 nan 0.000 0.453 47 E N -0.090 120.151 120.200 0.068 0.000 2.058 47 E HA -0.225 4.125 4.350 0.000 0.000 0.194 47 E C 2.110 178.750 176.600 0.066 0.000 0.997 47 E CA 0.884 57.322 56.400 0.064 0.000 0.801 47 E CB -0.293 29.455 29.700 0.080 0.000 0.746 47 E HN 0.324 nan 8.360 nan 0.000 0.450 48 Y N 1.949 122.244 120.300 -0.009 0.000 2.128 48 Y HA -0.246 4.304 4.550 0.000 0.000 0.284 48 Y C 2.041 177.926 175.900 -0.025 0.000 1.154 48 Y CA 1.572 59.656 58.100 -0.027 0.000 1.149 48 Y CB 0.092 38.532 38.460 -0.033 0.000 0.976 48 Y HN -0.192 nan 8.280 nan 0.000 0.505 49 K N 0.769 121.157 120.400 -0.020 0.000 2.103 49 K HA -0.223 4.097 4.320 0.000 0.000 0.207 49 K C 2.136 178.660 176.600 -0.125 0.000 1.048 49 K CA 1.671 57.906 56.287 -0.087 0.000 0.930 49 K CB -0.466 32.042 32.500 0.013 0.000 0.716 49 K HN 0.414 nan 8.250 nan 0.000 0.444 50 K N 0.553 120.907 120.400 -0.077 0.000 2.002 50 K HA -0.121 4.199 4.320 0.000 0.000 0.209 50 K C 1.963 178.503 176.600 -0.101 0.000 1.048 50 K CA 1.873 58.123 56.287 -0.063 0.000 0.930 50 K CB -0.120 32.364 32.500 -0.026 0.000 0.714 50 K HN -0.016 nan 8.250 nan 0.000 0.438 51 T N 1.035 115.504 114.554 -0.141 0.000 2.746 51 T HA -0.180 4.170 4.350 0.000 0.000 0.267 51 T C 1.673 176.237 174.700 -0.226 0.000 1.039 51 T CA 1.726 63.732 62.100 -0.157 0.000 1.142 51 T CB -0.221 68.542 68.868 -0.175 0.000 0.866 51 T HN 0.465 nan 8.240 nan 0.000 0.444 52 E N 0.591 120.553 120.200 -0.397 0.000 2.118 52 E HA -0.231 4.119 4.350 0.000 0.000 0.195 52 E C 2.179 178.677 176.600 -0.169 0.000 0.992 52 E CA 1.334 57.517 56.400 -0.361 0.000 0.804 52 E CB -0.026 29.381 29.700 -0.487 0.000 0.741 52 E HN 0.392 nan 8.360 nan 0.000 0.458 53 E N 0.816 120.937 120.200 -0.131 0.000 2.047 53 E HA -0.156 4.194 4.350 0.000 0.000 0.191 53 E C 1.939 178.514 176.600 -0.041 0.000 0.987 53 E CA 1.411 57.770 56.400 -0.068 0.000 0.799 53 E CB -0.311 29.358 29.700 -0.052 0.000 0.752 53 E HN 0.403 nan 8.360 nan 0.000 0.449 54 I N -0.213 120.328 120.570 -0.048 0.000 2.163 54 I HA -0.271 3.899 4.170 0.000 0.000 0.243 54 I C 2.237 178.355 176.117 0.002 0.000 1.085 54 I CA 0.989 62.273 61.300 -0.026 0.000 1.347 54 I CB -0.256 37.714 38.000 -0.051 0.000 1.044 54 I HN 0.054 nan 8.210 nan 0.000 0.408 55 V N 0.381 120.286 119.914 -0.014 0.000 2.407 55 V HA -0.296 3.824 4.120 0.000 0.000 0.248 55 V C 2.395 178.534 176.094 0.075 0.000 1.055 55 V CA 1.776 64.097 62.300 0.035 0.000 1.049 55 V CB -0.747 31.087 31.823 0.019 0.000 0.662 55 V HN 0.487 nan 8.190 nan 0.000 0.455 56 Q N -0.216 119.596 119.800 0.021 0.000 2.079 56 Q HA -0.208 4.132 4.340 0.000 0.000 0.200 56 Q C 2.363 178.382 176.000 0.032 0.000 0.974 56 Q CA 1.412 57.225 55.803 0.016 0.000 0.840 56 Q CB -0.209 28.523 28.738 -0.010 0.000 0.898 56 Q HN 0.607 nan 8.270 nan 0.000 0.430 57 K N -0.003 120.423 120.400 0.043 0.000 2.097 57 K HA -0.140 4.180 4.320 0.000 0.000 0.205 57 K C 1.882 178.526 176.600 0.073 0.000 1.050 57 K CA 1.007 57.321 56.287 0.044 0.000 0.938 57 K CB -0.199 32.327 32.500 0.044 0.000 0.718 57 K HN 0.077 nan 8.250 nan 0.000 0.442 58 F N 2.556 122.476 119.950 -0.049 0.000 2.069 58 F HA -0.254 4.273 4.527 0.000 0.000 0.298 58 F C 2.656 178.429 175.800 -0.046 0.000 1.113 58 F CA 1.714 59.681 58.000 -0.055 0.000 1.214 58 F CB -0.408 38.538 39.000 -0.091 0.000 0.978 58 F HN 0.046 nan 8.300 nan 0.000 0.474 59 Q N 0.029 119.843 119.800 0.024 0.000 2.152 59 Q HA -0.259 4.082 4.340 0.000 0.000 0.206 59 Q C 1.945 177.875 176.000 -0.116 0.000 0.985 59 Q CA 2.296 58.053 55.803 -0.077 0.000 0.863 59 Q CB -0.189 28.543 28.738 -0.010 0.000 0.904 59 Q HN 0.619 nan 8.270 nan 0.000 0.422 60 E N -1.149 119.006 120.200 -0.074 0.000 2.170 60 E HA 0.001 4.351 4.350 0.000 0.000 0.191 60 E C 1.284 177.834 176.600 -0.084 0.000 0.981 60 E CA 0.631 56.993 56.400 -0.064 0.000 0.830 60 E CB 0.212 29.892 29.700 -0.033 0.000 0.775 60 E HN 0.455 nan 8.360 nan 0.000 0.470 61 G N 0.802 109.538 108.800 -0.107 0.000 2.968 61 G HA2 0.261 4.221 3.960 0.000 0.000 0.206 61 G HA3 0.261 4.221 3.960 0.000 0.000 0.206 61 G C 1.394 176.188 174.900 -0.177 0.000 2.051 61 G CA 0.301 45.338 45.100 -0.105 0.000 0.773 61 G HN 0.213 nan 8.290 nan 0.000 0.741 62 A N 0.318 123.033 122.820 -0.175 0.000 1.903 62 A HA 0.019 4.339 4.320 0.000 0.000 0.219 62 A C 2.624 179.934 177.584 -0.456 0.000 1.191 62 A CA 2.747 54.663 52.037 -0.202 0.000 0.638 62 A CB -1.421 17.552 19.000 -0.045 0.000 0.823 62 A HN 0.959 nan 8.150 nan 0.000 0.451 63 G N -0.588 107.536 108.800 -1.128 0.000 2.440 63 G HA2 -0.322 3.638 3.960 0.000 0.000 0.218 63 G HA3 -0.322 3.638 3.960 0.000 0.000 0.218 63 G C 1.634 176.225 174.900 -0.516 0.000 1.154 63 G CA 1.352 45.544 45.100 -1.513 0.000 0.767 63 G HN 0.633 nan 8.290 nan 0.000 0.552 64 K N 0.165 120.352 120.400 -0.355 0.000 2.103 64 K HA -0.143 4.177 4.320 0.000 0.000 0.207 64 K C 2.543 179.112 176.600 -0.052 0.000 1.048 64 K CA 1.425 57.630 56.287 -0.135 0.000 0.930 64 K CB -0.083 32.350 32.500 -0.110 0.000 0.716 64 K HN 0.221 nan 8.250 nan 0.000 0.444 65 R N 0.747 121.192 120.500 -0.092 0.000 2.075 65 R HA 0.041 4.382 4.340 0.000 0.000 0.226 65 R C 2.086 178.375 176.300 -0.018 0.000 1.114 65 R CA 1.136 57.209 56.100 -0.044 0.000 0.972 65 R CB -0.350 29.922 30.300 -0.048 0.000 0.869 65 R HN 0.217 nan 8.270 nan 0.000 0.437 66 L N -0.576 120.630 121.223 -0.029 0.000 2.141 66 L HA -0.115 4.225 4.340 0.000 0.000 0.209 66 L C 2.301 179.212 176.870 0.067 0.000 1.094 66 L CA 1.577 56.436 54.840 0.032 0.000 0.763 66 L CB -0.563 41.537 42.059 0.068 0.000 0.908 66 L HN 0.362 nan 8.230 nan 0.000 0.437 67 H N -0.014 119.046 119.070 -0.018 0.000 2.357 67 H HA -0.221 4.335 4.556 0.000 0.000 0.301 67 H C 2.279 177.601 175.328 -0.011 0.000 1.082 67 H CA 1.906 57.970 56.048 0.026 0.000 1.342 67 H CB 0.116 29.898 29.762 0.034 0.000 1.389 67 H HN 0.182 nan 8.280 nan 0.000 0.511 68 Q N 1.058 120.834 119.800 -0.041 0.000 2.096 68 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 68 Q C 1.892 177.826 176.000 -0.111 0.000 0.982 68 Q CA 1.932 57.681 55.803 -0.090 0.000 0.850 68 Q CB -0.085 28.642 28.738 -0.019 0.000 0.901 68 Q HN 0.465 nan 8.270 nan 0.000 0.422 69 K N -0.163 120.201 120.400 -0.060 0.000 2.155 69 K HA -0.054 4.266 4.320 0.000 0.000 0.203 69 K C 2.063 178.630 176.600 -0.055 0.000 1.052 69 K CA 0.896 57.164 56.287 -0.031 0.000 0.948 69 K CB -0.199 32.314 32.500 0.021 0.000 0.728 69 K HN 0.313 nan 8.250 nan 0.000 0.448 70 L N 1.219 122.375 121.223 -0.112 0.000 2.056 70 L HA -0.143 4.197 4.340 0.000 0.000 0.207 70 L C 2.187 178.866 176.870 -0.317 0.000 1.078 70 L CA 1.052 55.777 54.840 -0.193 0.000 0.749 70 L CB -0.191 41.706 42.059 -0.270 0.000 0.901 70 L HN 0.196 nan 8.230 nan 0.000 0.433 71 L N -0.406 120.601 121.223 -0.360 0.000 2.046 71 L HA -0.249 4.091 4.340 0.000 0.000 0.208 71 L C 2.466 179.232 176.870 -0.175 0.000 1.077 71 L CA 1.427 56.083 54.840 -0.306 0.000 0.747 71 L CB -0.530 41.352 42.059 -0.295 0.000 0.896 71 L HN 0.318 nan 8.230 nan 0.000 0.432 72 E N -0.213 119.911 120.200 -0.128 0.000 2.110 72 E HA -0.252 4.098 4.350 0.000 0.000 0.193 72 E C 2.248 178.810 176.600 -0.064 0.000 0.988 72 E CA 0.832 57.187 56.400 -0.075 0.000 0.804 72 E CB -0.140 29.531 29.700 -0.048 0.000 0.745 72 E HN 0.362 nan 8.360 nan 0.000 0.458 73 R N 0.887 121.342 120.500 -0.075 0.000 2.075 73 R HA -0.093 4.247 4.340 0.000 0.000 0.232 73 R C 2.215 178.490 176.300 -0.043 0.000 1.126 73 R CA 1.242 57.304 56.100 -0.062 0.000 0.963 73 R CB -0.157 30.098 30.300 -0.074 0.000 0.858 73 R HN 0.140 nan 8.270 nan 0.000 0.435 74 A N 0.921 123.700 122.820 -0.068 0.000 2.067 74 A HA -0.131 4.189 4.320 0.000 0.000 0.219 74 A C 2.126 179.705 177.584 -0.008 0.000 1.158 74 A CA 1.031 53.069 52.037 0.002 0.000 0.661 74 A CB -0.504 18.449 19.000 -0.079 0.000 0.801 74 A HN 0.367 nan 8.150 nan 0.000 0.452 75 R N -0.523 119.954 120.500 -0.038 0.000 2.120 75 R HA -0.107 4.233 4.340 0.000 0.000 0.234 75 R C 1.778 178.063 176.300 -0.026 0.000 1.123 75 R CA 1.400 57.481 56.100 -0.031 0.000 0.975 75 R CB -0.333 29.945 30.300 -0.037 0.000 0.866 75 R HN 0.455 nan 8.270 nan 0.000 0.446 76 G N -0.348 108.436 108.800 -0.027 0.000 3.126 76 G HA2 0.116 4.076 3.960 0.000 0.000 0.224 76 G HA3 0.116 4.076 3.960 0.000 0.000 0.224 76 G C -0.329 174.551 174.900 -0.034 0.000 1.142 76 G CA -0.245 44.837 45.100 -0.030 0.000 0.759 76 G HN 0.106 nan 8.290 nan 0.000 0.550 77 K N 0.216 120.604 120.400 -0.020 0.000 2.471 77 K HA 0.360 4.680 4.320 0.000 0.000 0.252 77 K C 0.411 177.004 176.600 -0.012 0.000 0.938 77 K CA -0.781 55.495 56.287 -0.019 0.000 0.796 77 K CB 2.292 34.793 32.500 0.001 0.000 1.161 77 K HN -0.103 nan 8.250 nan 0.000 0.425 78 R N 0.773 121.216 120.500 -0.096 0.000 2.241 78 R HA -0.067 4.274 4.340 0.000 0.000 0.224 78 R C 0.454 176.786 176.300 0.053 0.000 1.101 78 R CA 0.787 56.807 56.100 -0.134 0.000 0.995 78 R CB 0.008 29.957 30.300 -0.585 0.000 0.870 78 R HN 0.400 nan 8.270 nan 0.000 0.463 79 N N -0.008 118.742 118.700 0.084 0.000 2.594 79 N HA -0.022 4.718 4.740 0.000 0.000 0.280 79 N C 0.207 175.691 175.510 -0.043 0.000 1.156 79 N CA -0.450 52.618 53.050 0.031 0.000 0.831 79 N CB 0.669 39.225 38.487 0.115 0.000 1.379 79 N HN 0.194 nan 8.380 nan 0.000 0.536 80 W N 3.494 124.769 121.300 -0.043 0.000 2.465 80 W HA -0.010 4.650 4.660 0.000 0.000 0.268 80 W C 0.543 176.979 176.519 -0.138 0.000 1.242 80 W CA 0.078 57.342 57.345 -0.136 0.000 1.248 80 W CB -0.230 29.159 29.460 -0.118 0.000 1.118 80 W HN 0.380 nan 8.180 nan 0.000 0.587 81 L N 1.316 122.101 121.223 -0.731 0.000 2.202 81 L HA 0.080 4.420 4.340 0.000 0.000 0.205 81 L C 2.530 179.370 176.870 -0.051 0.000 1.083 81 L CA 1.663 56.188 54.840 -0.526 0.000 0.790 81 L CB -0.830 40.578 42.059 -1.085 0.000 0.942 81 L HN -0.110 nan 8.230 nan 0.000 0.452 82 E N -0.001 120.159 120.200 -0.067 0.000 2.241 82 E HA -0.429 3.921 4.350 0.000 0.000 0.244 82 E C 1.978 178.695 176.600 0.196 0.000 1.070 82 E CA 2.574 59.035 56.400 0.102 0.000 0.998 82 E CB -0.246 29.520 29.700 0.110 0.000 0.879 82 E HN 0.674 nan 8.360 nan 0.000 0.501 83 E N -0.557 119.717 120.200 0.123 0.000 2.051 83 E HA -0.200 4.150 4.350 0.000 0.000 0.192 83 E C 2.006 178.778 176.600 0.288 0.000 0.991 83 E CA 1.289 57.780 56.400 0.151 0.000 0.799 83 E CB -0.185 29.548 29.700 0.055 0.000 0.748 83 E HN 0.355 nan 8.360 nan 0.000 0.449 84 W N 0.835 122.241 121.300 0.176 0.000 2.335 84 W HA -0.209 4.451 4.660 0.000 0.000 0.311 84 W C 2.259 178.903 176.519 0.208 0.000 1.213 84 W CA 0.663 58.118 57.345 0.183 0.000 1.274 84 W CB -1.501 28.098 29.460 0.232 0.000 1.148 84 W HN 0.395 nan 8.180 nan 0.000 0.498 85 W N 0.475 121.945 121.300 0.283 0.000 2.335 85 W HA -0.258 4.402 4.660 0.000 0.000 0.311 85 W C 2.186 178.801 176.519 0.159 0.000 1.213 85 W CA 1.430 58.872 57.345 0.162 0.000 1.274 85 W CB -0.707 28.826 29.460 0.121 0.000 1.148 85 W HN -0.174 nan 8.180 nan 0.000 0.498 86 L N 1.696 123.078 121.223 0.265 0.000 2.012 86 L HA -0.234 4.106 4.340 0.000 0.000 0.210 86 L C 1.910 178.841 176.870 0.102 0.000 1.073 86 L CA 2.549 57.511 54.840 0.203 0.000 0.748 86 L CB -1.314 40.872 42.059 0.212 0.000 0.891 86 L HN -0.010 nan 8.230 nan 0.000 0.431 87 N N -1.417 117.349 118.700 0.109 0.000 2.080 87 N HA -0.141 4.599 4.740 0.000 0.000 0.189 87 N C 1.651 177.146 175.510 -0.024 0.000 1.036 87 N CA 1.419 54.511 53.050 0.071 0.000 0.846 87 N CB -0.059 38.507 38.487 0.131 0.000 1.015 87 N HN 0.206 nan 8.380 nan 0.000 0.423 88 V N 0.790 120.670 119.914 -0.058 0.000 2.719 88 V HA -0.029 4.091 4.120 0.000 0.000 0.252 88 V C 2.001 177.885 176.094 -0.351 0.000 1.065 88 V CA 1.532 63.743 62.300 -0.149 0.000 1.086 88 V CB -0.443 31.324 31.823 -0.094 0.000 0.700 88 V HN 0.333 nan 8.190 nan 0.000 0.467 89 A N -1.967 120.452 122.820 -0.668 0.000 2.081 89 A HA 0.108 4.428 4.320 0.000 0.000 0.214 89 A C 1.763 178.654 177.584 -1.154 0.000 1.158 89 A CA 0.984 52.309 52.037 -1.188 0.000 0.724 89 A CB -0.055 17.553 19.000 -2.320 0.000 0.826 89 A HN 0.554 nan 8.150 nan 0.000 0.463 90 Y N -1.711 118.421 120.300 -0.281 0.000 3.116 90 Y HA 0.288 4.838 4.550 0.000 0.000 0.220 90 Y C 1.851 177.708 175.900 -0.072 0.000 0.965 90 Y CA -0.208 57.800 58.100 -0.153 0.000 1.476 90 Y CB -0.275 38.110 38.460 -0.125 0.000 1.493 90 Y HN 0.000 nan 8.280 nan 0.000 0.423 91 L N 0.659 121.955 121.223 0.122 0.000 2.127 91 L HA -0.198 4.142 4.340 0.000 0.000 0.211 91 L C 1.126 178.020 176.870 0.040 0.000 1.089 91 L CA 1.679 56.566 54.840 0.078 0.000 0.757 91 L CB -0.359 41.745 42.059 0.075 0.000 0.899 91 L HN 0.300 nan 8.230 nan 0.000 0.434 92 D N -0.471 119.934 120.400 0.008 0.000 2.249 92 D HA 0.018 4.658 4.640 0.000 0.000 0.205 92 D C 0.889 177.182 176.300 -0.012 0.000 0.962 92 D CA 0.318 54.316 54.000 -0.005 0.000 0.860 92 D CB 0.082 40.869 40.800 -0.021 0.000 0.955 92 D HN 0.024 nan 8.370 nan 0.000 0.505 93 V N 2.463 122.364 119.914 -0.022 0.000 2.617 93 V HA -0.047 4.073 4.120 0.000 0.000 0.304 93 V C 1.604 177.705 176.094 0.010 0.000 1.040 93 V CA 0.326 62.615 62.300 -0.018 0.000 1.149 93 V CB 1.090 32.897 31.823 -0.028 0.000 0.914 93 V HN 0.052 nan 8.190 nan 0.000 0.487 94 R N 3.290 123.793 120.500 0.005 0.000 2.237 94 R HA 0.251 4.591 4.340 0.000 0.000 0.195 94 R C 0.845 177.157 176.300 0.022 0.000 0.956 94 R CA 0.169 56.278 56.100 0.016 0.000 1.029 94 R CB -0.232 30.071 30.300 0.005 0.000 0.972 94 R HN 0.844 nan 8.270 nan 0.000 0.493 95 I N 1.098 121.676 120.570 0.014 0.000 3.161 95 I HA 0.132 4.302 4.170 0.000 0.000 0.284 95 I C -2.068 174.069 176.117 0.033 0.000 1.252 95 I CA -1.866 59.442 61.300 0.013 0.000 1.374 95 I CB -0.313 37.691 38.000 0.007 0.000 1.359 95 I HN -0.257 nan 8.210 nan 0.000 0.606 96 P HA 0.014 nan 4.420 nan 0.000 0.260 96 P C 0.374 177.712 177.300 0.062 0.000 1.207 96 P CA 0.165 63.290 63.100 0.041 0.000 0.780 96 P CB 0.751 32.468 31.700 0.028 0.000 0.789 97 S N 3.035 118.776 115.700 0.070 0.000 2.377 97 S HA -0.212 4.258 4.470 0.000 0.000 0.223 97 S C 1.885 176.534 174.600 0.082 0.000 1.030 97 S CA 0.581 58.833 58.200 0.088 0.000 0.970 97 S CB -0.908 62.349 63.200 0.095 0.000 0.830 97 S HN 0.422 nan 8.310 nan 0.000 0.473 98 Q N 0.494 120.328 119.800 0.057 0.000 2.082 98 Q HA -0.218 4.123 4.340 0.000 0.000 0.211 98 Q C 2.159 178.226 176.000 0.112 0.000 1.002 98 Q CA 2.044 57.883 55.803 0.059 0.000 0.868 98 Q CB -0.294 28.466 28.738 0.036 0.000 0.931 98 Q HN 0.591 nan 8.270 nan 0.000 0.414 99 L N 0.236 121.534 121.223 0.124 0.000 2.168 99 L HA 0.018 4.358 4.340 0.000 0.000 0.203 99 L C 1.351 178.302 176.870 0.136 0.000 1.078 99 L CA 1.560 56.458 54.840 0.097 0.000 0.780 99 L CB -0.238 41.799 42.059 -0.038 0.000 0.939 99 L HN 0.179 nan 8.230 nan 0.000 0.451 100 N N -1.112 117.675 118.700 0.146 0.000 2.373 100 N HA 0.044 4.784 4.740 0.000 0.000 0.181 100 N C 1.238 176.855 175.510 0.179 0.000 1.082 100 N CA 1.186 54.349 53.050 0.188 0.000 0.885 100 N CB 0.962 39.549 38.487 0.167 0.000 0.977 100 N HN 0.341 nan 8.380 nan 0.000 0.462 101 V N -0.160 119.854 119.914 0.167 0.000 3.251 101 V HA 0.085 4.205 4.120 0.000 0.000 0.239 101 V C 0.686 176.922 176.094 0.237 0.000 1.332 101 V CA -0.276 62.153 62.300 0.216 0.000 1.224 101 V CB 0.175 32.133 31.823 0.225 0.000 1.004 101 V HN 0.127 nan 8.190 nan 0.000 0.464 102 N N 1.525 120.300 118.700 0.125 0.000 2.395 102 N HA 0.189 4.929 4.740 0.000 0.000 0.246 102 N C -0.881 174.653 175.510 0.040 0.000 1.246 102 N CA 0.321 53.368 53.050 -0.005 0.000 0.879 102 N CB 0.481 38.938 38.487 -0.049 0.000 1.098 102 N HN 0.424 nan 8.380 nan 0.000 0.444 103 F N -0.536 119.405 119.950 -0.015 0.000 2.507 103 F HA 0.688 5.215 4.527 0.000 0.000 0.327 103 F C -0.063 175.718 175.800 -0.031 0.000 1.068 103 F CA -1.194 56.756 58.000 -0.083 0.000 0.965 103 F CB 0.428 39.283 39.000 -0.241 0.000 1.192 103 F HN 0.108 nan 8.300 nan 0.000 0.476 104 V N -0.503 119.563 119.914 0.254 0.000 3.001 104 V HA 1.074 5.194 4.120 0.000 0.000 0.314 104 V C -0.524 175.736 176.094 0.276 0.000 1.099 104 V CA -0.637 61.797 62.300 0.223 0.000 0.989 104 V CB 1.354 33.300 31.823 0.206 0.000 1.040 104 V HN 1.464 nan 8.190 nan 0.000 0.434 105 G N 1.843 110.754 108.800 0.185 0.000 2.734 105 G HA2 0.693 4.653 3.960 0.000 0.000 0.293 105 G HA3 0.693 4.653 3.960 0.000 0.000 0.293 105 G C -3.523 171.375 174.900 -0.003 0.000 1.422 105 G CA -1.282 43.890 45.100 0.120 0.000 1.177 105 G HN 0.665 nan 8.290 nan 0.000 0.565 106 P HA 0.344 nan 4.420 nan 0.000 0.279 106 P C -0.052 177.214 177.300 -0.058 0.000 1.239 106 P CA -0.475 62.565 63.100 -0.100 0.000 0.789 106 P CB 1.056 32.621 31.700 -0.226 0.000 0.933 107 C N 5.805 125.105 119.300 0.001 0.000 2.555 107 C HA 0.165 4.626 4.460 0.000 0.000 0.385 107 C C -0.680 174.097 174.990 -0.355 0.000 1.296 107 C CA -0.707 58.163 59.018 -0.247 0.000 1.757 107 C CB -0.188 27.414 27.740 -0.230 0.000 2.445 107 C HN 0.546 nan 8.230 nan 0.000 0.571 108 P HA -0.073 nan 4.420 nan 0.000 0.259 108 P C 0.530 177.488 177.300 -0.570 0.000 1.307 108 P CA 0.978 63.703 63.100 -0.625 0.000 0.768 108 P CB -0.426 31.035 31.700 -0.398 0.000 1.199 109 H N -0.645 118.287 119.070 -0.230 0.000 2.545 109 H HA -0.057 4.499 4.556 0.000 0.000 0.282 109 H C 1.365 176.477 175.328 -0.359 0.000 1.020 109 H CA 0.571 56.424 56.048 -0.325 0.000 1.243 109 H CB -0.596 29.205 29.762 0.065 0.000 1.377 109 H HN 0.324 nan 8.280 nan 0.000 0.581 110 F N 0.125 120.063 119.950 -0.020 0.000 2.804 110 F HA 0.208 4.735 4.527 0.000 0.000 0.303 110 F C 1.270 177.021 175.800 -0.081 0.000 1.154 110 F CA -0.090 57.909 58.000 -0.001 0.000 1.401 110 F CB -0.045 38.979 39.000 0.040 0.000 1.106 110 F HN 0.000 nan 8.300 nan 0.000 0.568 111 E N 0.137 120.075 120.200 -0.437 0.000 2.385 111 E HA -0.054 4.296 4.350 0.000 0.000 0.194 111 E C 1.159 177.710 176.600 -0.081 0.000 1.013 111 E CA 0.739 57.008 56.400 -0.217 0.000 0.866 111 E CB -0.008 29.567 29.700 -0.208 0.000 0.832 111 E HN 0.717 nan 8.360 nan 0.000 0.500 112 H N -2.395 116.624 119.070 -0.085 0.000 5.260 112 H HA 0.078 4.635 4.556 0.000 0.000 0.088 112 H C 1.161 176.398 175.328 -0.152 0.000 1.309 112 H CA -0.241 55.677 56.048 -0.217 0.000 0.380 112 H CB -0.562 28.967 29.762 -0.388 0.000 1.656 112 H HN -0.067 nan 8.280 nan 0.000 0.116 113 Y N -0.190 120.237 120.300 0.211 0.000 2.421 113 Y HA -0.058 4.492 4.550 0.000 0.000 0.292 113 Y C 0.488 176.615 175.900 0.378 0.000 1.136 113 Y CA 0.467 58.693 58.100 0.209 0.000 1.255 113 Y CB 0.115 38.661 38.460 0.143 0.000 0.991 113 Y HN 0.331 nan 8.280 nan 0.000 0.552 114 W N 2.495 123.888 121.300 0.154 0.000 1.853 114 W HA 0.367 5.027 4.660 0.000 0.000 0.290 114 W C -2.478 174.150 176.519 0.181 0.000 0.821 114 W CA -3.472 53.986 57.345 0.188 0.000 2.222 114 W CB -0.639 28.975 29.460 0.257 0.000 2.392 114 W HN -0.115 nan 8.180 nan 0.000 0.420 115 P HA 0.136 nan 4.420 nan 0.000 0.271 115 P C 0.264 177.668 177.300 0.173 0.000 1.233 115 P CA 0.039 63.286 63.100 0.246 0.000 0.789 115 P CB 1.136 32.937 31.700 0.168 0.000 0.951 116 A N 2.409 125.271 122.820 0.070 0.000 2.546 116 A HA 0.200 4.520 4.320 0.000 0.000 0.243 116 A C 0.576 178.165 177.584 0.008 0.000 1.063 116 A CA 0.430 52.455 52.037 -0.019 0.000 0.757 116 A CB -0.696 18.221 19.000 -0.139 0.000 0.991 116 A HN 0.671 nan 8.150 nan 0.000 0.503 117 R N 2.463 122.962 120.500 -0.002 0.000 2.725 117 R HA 0.129 4.469 4.340 0.000 0.000 0.276 117 R C -1.122 175.168 176.300 -0.017 0.000 1.189 117 R CA -0.527 55.575 56.100 0.004 0.000 1.083 117 R CB 0.764 31.082 30.300 0.029 0.000 1.262 117 R HN 0.791 nan 8.270 nan 0.000 0.415 118 E N 1.394 121.585 120.200 -0.015 0.000 2.467 118 E HA 0.047 4.397 4.350 0.000 0.000 0.264 118 E C 1.021 177.608 176.600 -0.022 0.000 1.020 118 E CA 1.961 58.349 56.400 -0.020 0.000 0.945 118 E CB 0.704 30.399 29.700 -0.008 0.000 0.942 118 E HN 0.894 nan 8.360 nan 0.000 0.449 119 G N 2.074 110.855 108.800 -0.032 0.000 2.179 119 G HA2 -0.346 3.614 3.960 0.000 0.000 0.260 119 G HA3 -0.346 3.614 3.960 0.000 0.000 0.260 119 G C 0.880 175.749 174.900 -0.052 0.000 0.977 119 G CA 1.047 46.126 45.100 -0.034 0.000 0.641 119 G HN 0.602 nan 8.290 nan 0.000 0.533 120 T N -2.273 112.239 114.554 -0.070 0.000 3.086 120 T HA 0.296 4.646 4.350 0.000 0.000 0.250 120 T C 1.731 176.362 174.700 -0.116 0.000 1.074 120 T CA 1.187 63.229 62.100 -0.097 0.000 0.988 120 T CB 0.441 69.238 68.868 -0.118 0.000 0.988 120 T HN 0.501 nan 8.240 nan 0.000 0.530 121 Q N 0.468 120.199 119.800 -0.115 0.000 2.062 121 Q HA -0.155 4.185 4.340 0.000 0.000 0.209 121 Q C 1.712 177.693 176.000 -0.033 0.000 0.996 121 Q CA 1.708 57.439 55.803 -0.120 0.000 0.859 121 Q CB -0.271 28.372 28.738 -0.158 0.000 0.920 121 Q HN 0.470 nan 8.270 nan 0.000 0.415 122 L N 0.925 122.102 121.223 -0.077 0.000 2.156 122 L HA -0.125 4.215 4.340 0.000 0.000 0.208 122 L C 2.350 179.206 176.870 -0.024 0.000 1.095 122 L CA 1.368 56.180 54.840 -0.046 0.000 0.770 122 L CB -0.650 41.348 42.059 -0.102 0.000 0.914 122 L HN 0.217 nan 8.230 nan 0.000 0.439 123 E N 0.138 120.307 120.200 -0.051 0.000 2.007 123 E HA -0.170 4.180 4.350 0.000 0.000 0.194 123 E C 2.303 178.853 176.600 -0.084 0.000 0.999 123 E CA 1.162 57.525 56.400 -0.061 0.000 0.811 123 E CB -0.496 29.163 29.700 -0.068 0.000 0.762 123 E HN 0.405 nan 8.360 nan 0.000 0.450 124 R N 0.416 120.801 120.500 -0.193 0.000 2.091 124 R HA -0.092 4.248 4.340 0.000 0.000 0.238 124 R C 2.543 178.787 176.300 -0.094 0.000 1.136 124 R CA 1.307 57.135 56.100 -0.454 0.000 0.959 124 R CB -0.798 29.018 30.300 -0.807 0.000 0.856 124 R HN 0.303 nan 8.270 nan 0.000 0.437 125 G N 1.391 110.330 108.800 0.231 0.000 2.469 125 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 125 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 125 G C 0.788 175.728 174.900 0.066 0.000 1.136 125 G CA 0.877 46.177 45.100 0.334 0.000 0.759 125 G HN 0.478 nan 8.290 nan 0.000 0.562 130 W N 2.430 123.704 121.300 -0.043 0.000 2.335 130 W HA -0.204 4.456 4.660 0.000 0.000 0.311 130 W C 1.889 178.439 176.519 0.053 0.000 1.213 130 W CA 2.514 59.811 57.345 -0.081 0.000 1.274 130 W CB -0.292 28.997 29.460 -0.285 0.000 1.148 130 W HN 0.313 nan 8.180 nan 0.000 0.498 131 H N -0.221 118.910 119.070 0.100 0.000 2.333 131 H HA -0.126 4.430 4.556 0.000 0.000 0.302 131 H C 2.321 177.783 175.328 0.223 0.000 1.075 131 H CA 1.662 57.749 56.048 0.066 0.000 1.348 131 H CB -0.456 29.380 29.762 0.124 0.000 1.393 131 H HN 0.099 nan 8.280 nan 0.000 0.509 132 N N 0.727 119.645 118.700 0.363 0.000 2.061 132 N HA -0.156 4.584 4.740 0.000 0.000 0.193 132 N C 1.843 177.594 175.510 0.402 0.000 1.030 132 N CA 1.107 54.387 53.050 0.384 0.000 0.856 132 N CB -0.117 38.542 38.487 0.287 0.000 1.023 132 N HN 0.307 nan 8.380 nan 0.000 0.424 133 L N 1.031 122.424 121.223 0.283 0.000 2.201 133 L HA -0.090 4.250 4.340 0.000 0.000 0.212 133 L C 1.939 178.908 176.870 0.165 0.000 1.105 133 L CA 0.629 55.600 54.840 0.219 0.000 0.775 133 L CB -0.329 41.808 42.059 0.130 0.000 0.913 133 L HN 0.151 nan 8.230 nan 0.000 0.440 134 N N -0.618 118.084 118.700 0.004 0.000 2.244 134 N HA -0.211 4.529 4.740 0.000 0.000 0.183 134 N C 1.788 177.311 175.510 0.022 0.000 1.016 134 N CA 1.151 54.159 53.050 -0.070 0.000 0.866 134 N CB -0.103 38.297 38.487 -0.145 0.000 0.980 134 N HN 0.339 nan 8.380 nan 0.000 0.430 135 Y N -0.029 120.264 120.300 -0.011 0.000 2.200 135 Y HA -0.232 4.318 4.550 0.000 0.000 0.290 135 Y C 2.372 178.284 175.900 0.019 0.000 1.137 135 Y CA 1.555 59.553 58.100 -0.171 0.000 1.163 135 Y CB -0.364 38.047 38.460 -0.082 0.000 0.988 135 Y HN 0.148 nan 8.280 nan 0.000 0.518 136 W N 1.476 122.758 121.300 -0.029 0.000 2.335 136 W HA -0.270 4.390 4.660 0.000 0.000 0.311 136 W C 2.386 178.815 176.519 -0.150 0.000 1.213 136 W CA 2.319 59.447 57.345 -0.363 0.000 1.274 136 W CB -0.811 28.062 29.460 -0.980 0.000 1.148 136 W HN 0.198 nan 8.180 nan 0.000 0.498 137 Q N -0.181 119.374 119.800 -0.409 0.000 2.124 137 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 137 Q C 2.245 177.984 176.000 -0.434 0.000 0.977 137 Q CA 1.851 57.272 55.803 -0.637 0.000 0.850 137 Q CB -0.479 28.058 28.738 -0.335 0.000 0.901 137 Q HN 0.353 nan 8.270 nan 0.000 0.429 138 L N 0.294 121.309 121.223 -0.345 0.000 2.046 138 L HA -0.182 4.158 4.340 0.000 0.000 0.208 138 L C 1.995 178.658 176.870 -0.345 0.000 1.077 138 L CA 1.570 56.195 54.840 -0.359 0.000 0.747 138 L CB -0.452 41.301 42.059 -0.509 0.000 0.896 138 L HN 0.308 nan 8.230 nan 0.000 0.432 139 L N -1.302 119.732 121.223 -0.316 0.000 2.044 139 L HA -0.194 4.146 4.340 0.000 0.000 0.205 139 L C 2.733 179.655 176.870 0.087 0.000 1.075 139 L CA 1.179 55.948 54.840 -0.119 0.000 0.747 139 L CB -0.325 41.752 42.059 0.031 0.000 0.903 139 L HN 0.240 nan 8.230 nan 0.000 0.435 140 R N 0.230 120.691 120.500 -0.064 0.000 2.127 140 R HA -0.150 4.190 4.340 0.000 0.000 0.238 140 R C 1.948 178.173 176.300 -0.126 0.000 1.134 140 R CA 1.296 57.328 56.100 -0.113 0.000 0.975 140 R CB 0.033 29.988 30.300 -0.574 0.000 0.865 140 R HN 0.286 nan 8.270 nan 0.000 0.447 141 R N 0.260 120.654 120.500 -0.176 0.000 2.317 141 R HA 0.069 4.409 4.340 0.000 0.000 0.208 141 R C -0.309 175.935 176.300 -0.093 0.000 0.914 141 R CA 0.221 56.240 56.100 -0.136 0.000 1.060 141 R CB 0.269 30.472 30.300 -0.162 0.000 1.015 141 R HN 0.275 nan 8.270 nan 0.000 0.498 142 E N 0.709 120.870 120.200 -0.064 0.000 2.440 142 E HA -0.227 4.123 4.350 0.000 0.000 0.246 142 E C 0.166 176.665 176.600 -0.168 0.000 1.165 142 E CA 0.337 56.682 56.400 -0.092 0.000 0.726 142 E CB -0.399 29.300 29.700 -0.002 0.000 1.271 142 E HN 0.179 nan 8.360 nan 0.000 0.397 143 K N -0.176 120.105 120.400 -0.198 0.000 2.367 143 K HA 0.108 4.428 4.320 0.000 0.000 0.194 143 K C 0.652 177.107 176.600 -0.242 0.000 1.027 143 K CA -0.151 56.023 56.287 -0.189 0.000 1.075 143 K CB 0.178 32.579 32.500 -0.166 0.000 0.845 143 K HN 0.147 nan 8.250 nan 0.000 0.529 144 L N 3.438 124.454 121.223 -0.344 0.000 2.462 144 L HA 0.133 4.473 4.340 0.000 0.000 0.272 144 L C -2.458 174.208 176.870 -0.339 0.000 1.166 144 L CA -1.710 52.875 54.840 -0.425 0.000 0.880 144 L CB 0.213 41.894 42.059 -0.631 0.000 1.142 144 L HN -0.113 nan 8.230 nan 0.000 0.473 145 P HA -0.008 nan 4.420 nan 0.000 0.264 145 P C -0.881 176.349 177.300 -0.117 0.000 1.183 145 P CA -0.141 62.886 63.100 -0.123 0.000 0.763 145 P CB 0.382 32.053 31.700 -0.048 0.000 0.807 146 V N 4.830 124.707 119.914 -0.061 0.000 2.521 146 V HA -0.012 4.108 4.120 0.000 0.000 0.286 146 V C 0.859 177.016 176.094 0.105 0.000 1.034 146 V CA 0.095 62.388 62.300 -0.011 0.000 1.045 146 V CB -0.669 31.240 31.823 0.143 0.000 0.974 146 V HN 0.556 nan 8.190 nan 0.000 0.480 147 H N 4.841 123.867 119.070 -0.074 0.000 2.803 147 H HA 0.345 4.901 4.556 0.000 0.000 0.330 147 H C -0.154 175.146 175.328 -0.047 0.000 1.057 147 H CA -0.174 55.846 56.048 -0.047 0.000 1.458 147 H CB 0.752 30.505 29.762 -0.014 0.000 1.470 147 H HN 0.559 nan 8.280 nan 0.000 0.560 148 K N 1.684 122.107 120.400 0.039 0.000 2.469 148 K HA 0.239 4.559 4.320 0.000 0.000 0.254 148 K C -0.918 175.672 176.600 -0.017 0.000 0.939 148 K CA -0.721 55.559 56.287 -0.012 0.000 0.812 148 K CB 2.647 35.125 32.500 -0.036 0.000 1.301 148 K HN 0.347 nan 8.250 nan 0.000 0.433 149 S N 1.447 117.151 115.700 0.007 0.000 2.461 149 S HA 0.509 4.979 4.470 0.000 0.000 0.322 149 S C 0.588 175.212 174.600 0.040 0.000 1.063 149 S CA 0.622 58.853 58.200 0.052 0.000 1.120 149 S CB 0.013 63.322 63.200 0.182 0.000 0.968 149 S HN 0.892 nan 8.310 nan 0.000 0.467 150 G N 5.366 114.175 108.800 0.016 0.000 2.574 150 G HA2 -0.309 3.651 3.960 0.000 0.000 0.301 150 G HA3 -0.309 3.651 3.960 0.000 0.000 0.301 150 G C 0.504 175.395 174.900 -0.016 0.000 1.166 150 G CA 0.439 45.541 45.100 0.004 0.000 0.971 150 G HN 0.647 nan 8.290 nan 0.000 0.542 151 N N 1.435 120.121 118.700 -0.024 0.000 2.187 151 N HA 0.182 4.922 4.740 0.000 0.000 0.212 151 N C -0.095 175.362 175.510 -0.088 0.000 1.152 151 N CA 0.674 53.693 53.050 -0.051 0.000 0.872 151 N CB 0.675 39.138 38.487 -0.040 0.000 1.025 151 N HN 0.476 nan 8.380 nan 0.000 0.514 152 T N 3.794 118.313 114.554 -0.058 0.000 2.728 152 T HA 0.245 4.595 4.350 0.000 0.000 0.296 152 T C -2.417 172.229 174.700 -0.091 0.000 0.940 152 T CA -1.192 60.869 62.100 -0.065 0.000 1.013 152 T CB 1.987 70.864 68.868 0.015 0.000 0.912 152 T HN 0.084 nan 8.240 nan 0.000 0.484 153 P HA 0.276 nan 4.420 nan 0.000 0.275 153 P C -0.724 176.539 177.300 -0.061 0.000 1.228 153 P CA -0.416 62.566 63.100 -0.196 0.000 0.786 153 P CB 0.990 32.403 31.700 -0.479 0.000 0.927 154 L N 1.441 122.654 121.223 -0.016 0.000 2.334 154 L HA 0.388 4.728 4.340 0.000 0.000 0.272 154 L C 1.107 177.998 176.870 0.035 0.000 1.020 154 L CA -0.901 53.922 54.840 -0.029 0.000 0.812 154 L CB 1.176 43.209 42.059 -0.045 0.000 1.264 154 L HN 0.365 nan 8.230 nan 0.000 0.439 158 Q N -0.124 119.671 119.800 -0.008 0.000 2.291 158 Q HA 0.024 4.364 4.340 0.000 0.000 0.206 158 Q C 0.921 176.878 176.000 -0.072 0.000 0.976 158 Q CA 1.220 56.995 55.803 -0.048 0.000 0.875 158 Q CB -0.125 28.550 28.738 -0.104 0.000 0.927 158 Q HN 0.330 nan 8.270 nan 0.000 0.450 159 F N 0.721 120.709 119.950 0.063 0.000 2.502 159 F HA -0.032 4.495 4.527 0.000 0.000 0.298 159 F C 1.298 177.052 175.800 -0.077 0.000 1.111 159 F CA 0.598 58.612 58.000 0.022 0.000 1.445 159 F CB 0.085 39.081 39.000 -0.007 0.000 1.081 159 F HN -0.075 nan 8.300 nan 0.000 0.558 163 F N 1.258 121.269 119.950 0.102 0.000 2.507 163 F HA 0.634 5.161 4.527 0.000 0.000 0.327 163 F C 1.491 177.433 175.800 0.237 0.000 1.068 163 F CA -0.366 57.775 58.000 0.236 0.000 0.965 163 F CB 1.629 40.834 39.000 0.342 0.000 1.192 163 F HN -0.044 nan 8.300 nan 0.000 0.476 164 S N 0.435 116.372 115.700 0.396 0.000 3.614 164 S HA -0.159 4.311 4.470 0.000 0.000 0.360 164 S C -0.300 174.507 174.600 0.346 0.000 1.023 164 S CA 0.904 59.294 58.200 0.316 0.000 1.114 164 S CB -1.864 61.545 63.200 0.348 0.000 0.907 164 S HN 0.728 nan 8.310 nan 0.000 0.470 165 T N 0.780 115.467 114.554 0.222 0.000 2.886 165 T HA 0.643 4.993 4.350 0.000 0.000 0.292 165 T C -0.435 174.331 174.700 0.110 0.000 1.012 165 T CA -0.417 61.742 62.100 0.099 0.000 0.982 165 T CB 2.043 70.880 68.868 -0.052 0.000 1.018 165 T HN 0.512 nan 8.240 nan 0.000 0.451 166 C N 3.144 122.512 119.300 0.113 0.000 3.082 166 C HA 0.682 5.142 4.460 0.000 0.000 0.324 166 C C -0.889 174.188 174.990 0.146 0.000 1.210 166 C CA -0.903 58.224 59.018 0.182 0.000 1.366 166 C CB 1.469 29.386 27.740 0.294 0.000 1.756 166 C HN 1.056 nan 8.230 nan 0.000 0.485 167 K N 2.766 123.270 120.400 0.174 0.000 2.118 167 K HA 0.765 5.085 4.320 0.000 0.000 0.264 167 K C -1.330 175.384 176.600 0.191 0.000 1.000 167 K CA -0.326 56.043 56.287 0.136 0.000 0.929 167 K CB 1.267 33.837 32.500 0.117 0.000 1.021 167 K HN 0.579 nan 8.250 nan 0.000 0.463 168 V N 5.609 125.593 119.914 0.116 0.000 2.525 168 V HA 0.335 4.455 4.120 0.000 0.000 0.299 168 V C -2.224 173.860 176.094 -0.017 0.000 1.034 168 V CA -1.879 60.462 62.300 0.068 0.000 0.863 168 V CB 1.577 33.430 31.823 0.051 0.000 0.999 168 V HN 0.869 nan 8.190 nan 0.000 0.423 169 P HA 0.323 nan 4.420 nan 0.000 0.272 169 P C -0.162 177.046 177.300 -0.153 0.000 1.223 169 P CA 0.231 63.228 63.100 -0.172 0.000 0.784 169 P CB 1.458 32.885 31.700 -0.456 0.000 0.923 170 G N 1.053 109.805 108.800 -0.080 0.000 2.605 170 G HA2 0.405 4.365 3.960 0.000 0.000 0.296 170 G HA3 0.405 4.365 3.960 0.000 0.000 0.296 170 G C 0.840 175.715 174.900 -0.041 0.000 1.304 170 G CA -0.672 44.393 45.100 -0.058 0.000 0.941 170 G HN 0.265 nan 8.290 nan 0.000 0.475 171 I N 0.451 121.002 120.570 -0.033 0.000 2.286 171 I HA -0.096 4.074 4.170 0.000 0.000 0.248 171 I C 2.546 178.659 176.117 -0.007 0.000 1.115 171 I CA 2.355 63.644 61.300 -0.019 0.000 1.392 171 I CB -0.968 37.024 38.000 -0.014 0.000 1.065 171 I HN 0.676 nan 8.210 nan 0.000 0.418 172 T N -3.099 111.452 114.554 -0.004 0.000 2.980 172 T HA 0.195 4.545 4.350 0.000 0.000 0.252 172 T C 0.925 175.629 174.700 0.006 0.000 0.962 172 T CA -0.364 61.737 62.100 0.001 0.000 0.932 172 T CB 0.710 69.579 68.868 0.001 0.000 1.188 172 T HN 0.165 nan 8.240 nan 0.000 0.500 173 R N 1.235 121.740 120.500 0.007 0.000 2.515 173 R HA 0.453 4.793 4.340 0.000 0.000 0.291 173 R C -1.759 174.550 176.300 0.015 0.000 1.046 173 R CA -0.460 55.650 56.100 0.017 0.000 0.914 173 R CB 1.330 31.645 30.300 0.024 0.000 1.191 173 R HN 0.030 nan 8.270 nan 0.000 0.435 174 D N 1.271 121.687 120.400 0.025 0.000 2.398 174 D HA 0.237 4.877 4.640 0.000 0.000 0.247 174 D C -0.125 176.193 176.300 0.031 0.000 1.227 174 D CA 0.226 54.241 54.000 0.025 0.000 0.980 174 D CB 1.270 42.099 40.800 0.048 0.000 1.106 174 D HN 0.603 nan 8.370 nan 0.000 0.493 175 S N -0.712 115.004 115.700 0.027 0.000 2.595 175 S HA 0.696 5.166 4.470 0.000 0.000 0.281 175 S C -0.650 173.963 174.600 0.022 0.000 1.117 175 S CA -0.911 57.304 58.200 0.025 0.000 0.873 175 S CB 1.426 64.636 63.200 0.016 0.000 1.108 175 S HN 0.262 nan 8.310 nan 0.000 0.477 179 Y N 1.940 122.305 120.300 0.108 0.000 2.462 179 Y HA 0.335 4.885 4.550 0.000 0.000 0.261 179 Y C 0.781 176.744 175.900 0.104 0.000 1.146 179 Y CA -0.469 57.684 58.100 0.088 0.000 1.283 179 Y CB -0.033 38.469 38.460 0.070 0.000 1.090 179 Y HN 0.522 nan 8.280 nan 0.000 0.526 180 F N 2.665 122.722 119.950 0.180 0.000 2.595 180 F HA 0.277 4.804 4.527 0.000 0.000 0.359 180 F C 0.005 175.871 175.800 0.109 0.000 1.147 180 F CA -0.090 58.021 58.000 0.185 0.000 1.341 180 F CB 0.408 39.540 39.000 0.219 0.000 1.104 180 F HN -0.152 nan 8.300 nan 0.000 0.603 181 K N 2.930 122.589 120.400 -1.234 0.000 2.557 181 K HA 0.262 4.582 4.320 0.000 0.000 0.261 181 K C -0.877 175.088 176.600 -1.060 0.000 0.932 181 K CA -0.848 54.925 56.287 -0.857 0.000 0.829 181 K CB 1.993 34.281 32.500 -0.353 0.000 1.358 181 K HN 0.726 nan 8.250 nan 0.000 0.430 182 T N -1.751 112.480 114.554 -0.538 0.000 2.874 182 T HA 0.177 4.527 4.350 0.000 0.000 0.281 182 T C 1.077 175.665 174.700 -0.188 0.000 0.994 182 T CA -0.492 61.461 62.100 -0.245 0.000 1.015 182 T CB 0.961 69.839 68.868 0.016 0.000 1.028 182 T HN 0.585 nan 8.240 nan 0.000 0.523 183 E N 0.630 120.751 120.200 -0.132 0.000 2.130 183 E HA -0.137 4.213 4.350 0.000 0.000 0.196 183 E C 2.347 178.910 176.600 -0.063 0.000 0.998 183 E CA 1.442 57.782 56.400 -0.099 0.000 0.806 183 E CB -0.239 29.408 29.700 -0.089 0.000 0.738 183 E HN 0.643 nan 8.360 nan 0.000 0.459 184 S N 0.932 116.604 115.700 -0.047 0.000 2.402 184 S HA -0.138 4.332 4.470 0.000 0.000 0.229 184 S C 1.705 176.286 174.600 -0.033 0.000 1.021 184 S CA 0.995 59.177 58.200 -0.028 0.000 0.974 184 S CB -0.097 63.097 63.200 -0.009 0.000 0.800 184 S HN 0.304 nan 8.310 nan 0.000 0.484 185 E N 0.294 120.460 120.200 -0.056 0.000 2.230 185 E HA 0.316 4.666 4.350 0.000 0.000 0.192 185 E C 1.143 177.715 176.600 -0.045 0.000 0.987 185 E CA 0.356 56.722 56.400 -0.057 0.000 0.841 185 E CB 0.189 29.834 29.700 -0.090 0.000 0.783 185 E HN 0.472 nan 8.360 nan 0.000 0.481 186 G N 0.273 109.042 108.800 -0.053 0.000 2.320 186 G HA2 -0.128 3.832 3.960 0.000 0.000 0.274 186 G HA3 -0.128 3.832 3.960 0.000 0.000 0.274 186 G C -1.437 173.463 174.900 0.001 0.000 1.324 186 G CA -0.703 44.392 45.100 -0.008 0.000 0.957 186 G HN 0.220 nan 8.290 nan 0.000 0.481 187 H N -0.916 118.136 119.070 -0.030 0.000 2.790 187 H HA 0.553 5.109 4.556 0.000 0.000 0.358 187 H C 0.140 175.463 175.328 -0.008 0.000 1.103 187 H CA 0.816 56.858 56.048 -0.010 0.000 1.426 187 H CB 0.971 30.737 29.762 0.006 0.000 1.424 187 H HN 1.006 nan 8.280 nan 0.000 0.599 188 C N 7.458 126.267 119.300 -0.818 0.000 2.535 188 C HA 0.451 4.911 4.460 0.000 0.000 0.319 188 C C -2.679 171.967 174.990 -0.574 0.000 1.171 188 C CA -1.797 56.928 59.018 -0.489 0.000 1.394 188 C CB 0.599 28.244 27.740 -0.159 0.000 1.990 188 C HN 0.785 nan 8.230 nan 0.000 0.466 189 P HA 0.051 nan 4.420 nan 0.000 0.264 189 P C 0.476 177.667 177.300 -0.181 0.000 1.173 189 P CA 0.845 63.866 63.100 -0.132 0.000 0.761 189 P CB 0.492 32.111 31.700 -0.134 0.000 0.794 190 T N -1.459 113.052 114.554 -0.072 0.000 3.200 190 T HA 0.120 4.471 4.350 0.000 0.000 0.284 190 T C 0.359 174.912 174.700 -0.245 0.000 1.009 190 T CA -0.305 61.683 62.100 -0.187 0.000 0.907 190 T CB -0.584 68.319 68.868 0.058 0.000 1.120 190 T HN 0.512 nan 8.240 nan 0.000 0.534 191 H N 0.675 119.548 119.070 -0.328 0.000 2.621 191 H HA 0.751 5.308 4.556 0.000 0.000 0.360 191 H C -0.521 174.494 175.328 -0.523 0.000 1.163 191 H CA -1.496 54.322 56.048 -0.383 0.000 1.194 191 H CB 1.876 31.476 29.762 -0.270 0.000 1.649 191 H HN 0.437 nan 8.280 nan 0.000 0.532 192 I N -0.479 119.675 120.570 -0.693 0.000 2.910 192 I HA 0.824 4.994 4.170 0.000 0.000 0.310 192 I C -0.794 175.009 176.117 -0.523 0.000 1.043 192 I CA -1.348 59.467 61.300 -0.808 0.000 1.053 192 I CB 2.145 39.510 38.000 -1.059 0.000 1.242 192 I HN 0.701 nan 8.210 nan 0.000 0.452 193 A N 3.901 126.499 122.820 -0.369 0.000 2.331 193 A HA 0.770 5.090 4.320 0.000 0.000 0.320 193 A C -0.831 176.732 177.584 -0.035 0.000 1.138 193 A CA -0.594 51.351 52.037 -0.153 0.000 0.790 193 A CB 1.450 20.366 19.000 -0.141 0.000 1.206 193 A HN 0.555 nan 8.150 nan 0.000 0.470 194 V N 3.501 123.480 119.914 0.109 0.000 2.495 194 V HA 0.438 4.558 4.120 0.000 0.000 0.298 194 V C -0.312 175.934 176.094 0.253 0.000 1.031 194 V CA -0.380 62.063 62.300 0.239 0.000 0.871 194 V CB 1.397 33.434 31.823 0.357 0.000 0.988 194 V HN 0.762 nan 8.190 nan 0.000 0.432 195 L N 4.287 125.625 121.223 0.193 0.000 2.296 195 L HA 0.711 5.051 4.340 0.000 0.000 0.286 195 L C -0.529 176.438 176.870 0.160 0.000 1.023 195 L CA -0.227 54.723 54.840 0.184 0.000 0.812 195 L CB 1.633 43.774 42.059 0.138 0.000 1.223 195 L HN 0.733 nan 8.230 nan 0.000 0.421 196 C N 4.125 123.548 119.300 0.206 0.000 2.891 196 C HA 0.430 4.890 4.460 0.000 0.000 0.342 196 C C 0.003 175.084 174.990 0.151 0.000 1.126 196 C CA -0.700 58.410 59.018 0.154 0.000 1.322 196 C CB 1.364 29.191 27.740 0.145 0.000 1.763 196 C HN 0.955 nan 8.230 nan 0.000 0.491 197 R N 3.660 124.213 120.500 0.089 0.000 3.158 197 R HA -0.193 4.147 4.340 0.000 0.000 0.244 197 R C 1.125 177.474 176.300 0.083 0.000 0.900 197 R CA 1.135 57.276 56.100 0.068 0.000 0.618 197 R CB -2.125 28.205 30.300 0.050 0.000 1.061 197 R HN 2.202 nan 8.270 nan 0.000 0.471 198 G N -0.408 108.438 108.800 0.076 0.000 2.180 198 G HA2 -0.400 3.560 3.960 0.000 0.000 0.263 198 G HA3 -0.400 3.560 3.960 0.000 0.000 0.263 198 G C 0.260 175.226 174.900 0.111 0.000 0.989 198 G CA 1.141 46.285 45.100 0.073 0.000 0.692 198 G HN 0.558 nan 8.290 nan 0.000 0.526 199 R N -0.473 120.121 120.500 0.157 0.000 2.892 199 R HA 0.815 5.155 4.340 0.000 0.000 0.265 199 R C -0.269 176.151 176.300 0.199 0.000 1.025 199 R CA -0.234 55.963 56.100 0.162 0.000 0.982 199 R CB 1.817 32.235 30.300 0.197 0.000 1.185 199 R HN 0.616 nan 8.270 nan 0.000 0.484 200 A N 1.859 124.715 122.820 0.060 0.000 2.343 200 A HA 0.727 5.047 4.320 0.000 0.000 0.308 200 A C -1.350 176.152 177.584 -0.136 0.000 1.092 200 A CA -0.508 51.578 52.037 0.082 0.000 0.751 200 A CB 0.515 19.582 19.000 0.112 0.000 1.203 200 A HN 0.505 nan 8.150 nan 0.000 0.452 201 F N 1.112 121.116 119.950 0.089 0.000 2.561 201 F HA 0.710 5.237 4.527 0.000 0.000 0.321 201 F C 0.238 176.091 175.800 0.089 0.000 1.065 201 F CA -0.642 57.425 58.000 0.113 0.000 0.934 201 F CB 2.580 41.699 39.000 0.198 0.000 1.215 201 F HN 0.576 nan 8.300 nan 0.000 0.471 202 V N 0.314 120.388 119.914 0.266 0.000 2.971 202 V HA 0.883 5.003 4.120 0.000 0.000 0.309 202 V C -1.462 174.752 176.094 0.199 0.000 1.130 202 V CA -1.181 61.181 62.300 0.105 0.000 0.964 202 V CB 1.829 33.642 31.823 -0.017 0.000 1.029 202 V HN 0.780 nan 8.190 nan 0.000 0.427 203 F N -0.193 119.770 119.950 0.021 0.000 2.668 203 F HA 0.716 5.243 4.527 0.000 0.000 0.309 203 F C -0.879 174.914 175.800 -0.011 0.000 1.117 203 F CA -0.886 57.108 58.000 -0.011 0.000 0.951 203 F CB 1.427 40.411 39.000 -0.027 0.000 1.323 203 F HN 0.655 nan 8.300 nan 0.000 0.451 204 D N 1.739 122.248 120.400 0.183 0.000 2.348 204 D HA 0.196 4.836 4.640 0.000 0.000 0.253 204 D C 1.128 177.520 176.300 0.154 0.000 1.161 204 D CA 0.059 54.118 54.000 0.098 0.000 0.876 204 D CB 2.124 42.987 40.800 0.105 0.000 1.160 204 D HN 0.674 nan 8.370 nan 0.000 0.459 205 V N 2.524 122.451 119.914 0.021 0.000 3.573 205 V HA 0.190 4.310 4.120 0.000 0.000 0.270 205 V C 0.796 176.973 176.094 0.137 0.000 1.221 205 V CA 0.253 62.595 62.300 0.071 0.000 1.163 205 V CB -0.597 31.170 31.823 -0.093 0.000 0.847 205 V HN 0.336 nan 8.190 nan 0.000 0.468 206 L N 0.902 122.213 121.223 0.146 0.000 2.334 206 L HA 0.727 5.067 4.340 0.000 0.000 0.272 206 L C -0.584 176.423 176.870 0.228 0.000 1.020 206 L CA -0.767 54.184 54.840 0.186 0.000 0.812 206 L CB 1.639 43.805 42.059 0.178 0.000 1.264 206 L HN 0.293 nan 8.230 nan 0.000 0.439 207 H N 1.261 120.383 119.070 0.086 0.000 3.179 207 H HA 0.179 4.735 4.556 0.000 0.000 0.331 207 H C -0.763 174.599 175.328 0.058 0.000 1.013 207 H CA -0.659 55.425 56.048 0.061 0.000 1.430 207 H CB 0.868 30.659 29.762 0.050 0.000 1.895 207 H HN 0.682 nan 8.280 nan 0.000 0.468 208 E N 3.418 123.433 120.200 -0.309 0.000 2.791 208 E HA -0.266 4.084 4.350 0.000 0.000 0.271 208 E C 0.964 177.525 176.600 -0.065 0.000 1.044 208 E CA 1.014 57.273 56.400 -0.235 0.000 0.814 208 E CB -1.321 28.198 29.700 -0.301 0.000 1.400 208 E HN 1.195 nan 8.360 nan 0.000 0.423 209 G N -1.070 107.728 108.800 -0.004 0.000 2.308 209 G HA2 -0.388 3.572 3.960 0.000 0.000 0.221 209 G HA3 -0.388 3.572 3.960 0.000 0.000 0.221 209 G C 0.581 175.523 174.900 0.071 0.000 1.032 209 G CA 0.230 45.350 45.100 0.035 0.000 0.623 209 G HN 0.966 nan 8.290 nan 0.000 0.506 210 C N 0.649 120.002 119.300 0.089 0.000 2.401 210 C HA 0.900 5.360 4.460 0.000 0.000 0.356 210 C C 0.853 175.951 174.990 0.180 0.000 1.192 210 C CA -1.707 57.387 59.018 0.127 0.000 2.028 210 C CB 1.065 28.884 27.740 0.131 0.000 2.344 210 C HN 0.758 nan 8.230 nan 0.000 0.525 211 L N 2.720 124.066 121.223 0.205 0.000 2.456 211 L HA 0.352 4.692 4.340 0.000 0.000 0.272 211 L C 0.582 177.635 176.870 0.306 0.000 1.189 211 L CA 0.085 55.074 54.840 0.248 0.000 0.846 211 L CB 0.294 42.474 42.059 0.202 0.000 1.111 211 L HN 0.747 nan 8.230 nan 0.000 0.475 212 I N 0.685 121.412 120.570 0.262 0.000 2.575 212 I HA 0.328 4.498 4.170 0.000 0.000 0.285 212 I C 0.667 176.895 176.117 0.185 0.000 1.085 212 I CA -0.554 60.856 61.300 0.183 0.000 1.403 212 I CB 0.764 38.824 38.000 0.099 0.000 1.409 212 I HN 0.730 nan 8.210 nan 0.000 0.557 213 T N 2.037 116.531 114.554 -0.101 0.000 2.788 213 T HA 0.298 4.648 4.350 0.000 0.000 0.287 213 T C -1.752 172.521 174.700 -0.711 0.000 1.007 213 T CA -1.311 60.384 62.100 -0.675 0.000 1.005 213 T CB 1.008 69.413 68.868 -0.772 0.000 1.012 213 T HN 0.485 nan 8.240 nan 0.000 0.530 214 P HA -0.028 nan 4.420 nan 0.000 0.215 214 P C -1.495 175.477 177.300 -0.547 0.000 1.157 214 P CA 1.353 63.962 63.100 -0.818 0.000 0.874 214 P CB -1.164 29.873 31.700 -1.105 0.000 0.790 215 P HA -0.191 nan 4.420 nan 0.000 0.216 215 P C 1.370 178.530 177.300 -0.233 0.000 1.153 215 P CA 1.649 64.567 63.100 -0.303 0.000 0.858 215 P CB -0.460 31.112 31.700 -0.214 0.000 0.789 216 E N -0.731 119.320 120.200 -0.249 0.000 2.106 216 E HA -0.103 4.247 4.350 0.000 0.000 0.192 216 E C 2.000 178.474 176.600 -0.209 0.000 0.984 216 E CA 0.772 57.051 56.400 -0.200 0.000 0.806 216 E CB -0.638 28.960 29.700 -0.171 0.000 0.750 216 E HN 0.244 nan 8.360 nan 0.000 0.458 217 L N 0.654 121.761 121.223 -0.193 0.000 2.201 217 L HA -0.157 4.183 4.340 0.000 0.000 0.212 217 L C 2.378 179.148 176.870 -0.167 0.000 1.105 217 L CA 0.230 54.983 54.840 -0.145 0.000 0.775 217 L CB -0.162 41.856 42.059 -0.068 0.000 0.913 217 L HN 0.181 nan 8.230 nan 0.000 0.440 218 L N -0.160 120.962 121.223 -0.168 0.000 2.109 218 L HA -0.152 4.188 4.340 0.000 0.000 0.207 218 L C 2.649 179.442 176.870 -0.128 0.000 1.086 218 L CA 1.571 56.334 54.840 -0.128 0.000 0.760 218 L CB -0.616 41.372 42.059 -0.118 0.000 0.910 218 L HN 0.122 nan 8.230 nan 0.000 0.437 219 R N -1.096 119.312 120.500 -0.154 0.000 2.066 219 R HA -0.146 4.194 4.340 0.000 0.000 0.232 219 R C 2.138 178.332 176.300 -0.177 0.000 1.131 219 R CA 1.362 57.378 56.100 -0.140 0.000 0.955 219 R CB -0.106 30.104 30.300 -0.151 0.000 0.851 219 R HN 0.456 nan 8.270 nan 0.000 0.432 220 Q N 0.567 120.173 119.800 -0.323 0.000 2.096 220 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 220 Q C 2.209 178.022 176.000 -0.311 0.000 0.982 220 Q CA 1.317 56.797 55.803 -0.538 0.000 0.850 220 Q CB -0.209 27.785 28.738 -1.241 0.000 0.901 220 Q HN 0.439 nan 8.270 nan 0.000 0.422 221 L N -0.035 121.081 121.223 -0.179 0.000 2.313 221 L HA -0.067 4.273 4.340 0.000 0.000 0.214 221 L C 2.190 179.047 176.870 -0.023 0.000 1.119 221 L CA 0.828 55.646 54.840 -0.036 0.000 0.809 221 L CB -0.351 41.718 42.059 0.016 0.000 0.933 221 L HN 0.170 nan 8.230 nan 0.000 0.449 222 T N -1.173 113.357 114.554 -0.040 0.000 2.770 222 T HA -0.207 4.143 4.350 0.000 0.000 0.263 222 T C 1.707 176.401 174.700 -0.010 0.000 1.039 222 T CA 1.089 63.186 62.100 -0.006 0.000 1.142 222 T CB -0.274 68.584 68.868 -0.018 0.000 0.868 222 T HN 0.320 nan 8.240 nan 0.000 0.435 223 Y N 1.671 121.887 120.300 -0.140 0.000 2.207 223 Y HA -0.110 4.440 4.550 0.000 0.000 0.287 223 Y C 1.904 177.665 175.900 -0.230 0.000 1.156 223 Y CA 1.121 59.128 58.100 -0.155 0.000 1.182 223 Y CB -0.425 37.936 38.460 -0.166 0.000 0.979 223 Y HN 0.179 nan 8.280 nan 0.000 0.521 224 I N -0.833 119.572 120.570 -0.275 0.000 2.193 224 I HA -0.283 3.887 4.170 0.000 0.000 0.240 224 I C 2.374 178.245 176.117 -0.411 0.000 1.084 224 I CA 1.654 62.582 61.300 -0.620 0.000 1.365 224 I CB -0.680 37.041 38.000 -0.464 0.000 1.064 224 I HN 0.239 nan 8.210 nan 0.000 0.410 225 H N 1.898 120.812 119.070 -0.260 0.000 2.319 225 H HA -0.170 4.386 4.556 0.000 0.000 0.297 225 H C 2.150 177.372 175.328 -0.176 0.000 1.097 225 H CA 1.776 57.725 56.048 -0.165 0.000 1.285 225 H CB 0.126 29.833 29.762 -0.092 0.000 1.368 225 H HN -0.011 nan 8.280 nan 0.000 0.495 226 K N 0.547 120.823 120.400 -0.206 0.000 2.025 226 K HA -0.108 4.212 4.320 0.000 0.000 0.207 226 K C 2.237 178.669 176.600 -0.280 0.000 1.049 226 K CA 1.130 57.270 56.287 -0.245 0.000 0.933 226 K CB -0.390 32.008 32.500 -0.170 0.000 0.714 226 K HN 0.166 nan 8.250 nan 0.000 0.438 227 K N 0.904 121.069 120.400 -0.392 0.000 2.293 227 K HA -0.171 4.149 4.320 0.000 0.000 0.204 227 K C 1.330 177.836 176.600 -0.156 0.000 1.045 227 K CA 1.608 57.687 56.287 -0.347 0.000 0.933 227 K CB -0.094 32.074 32.500 -0.553 0.000 0.736 227 K HN 0.431 nan 8.250 nan 0.000 0.463 228 C N -2.497 116.703 119.300 -0.166 0.000 3.486 228 C HA 0.417 4.877 4.460 0.000 0.000 0.264 228 C C 1.686 176.596 174.990 -0.134 0.000 1.756 228 C CA -0.263 58.709 59.018 -0.077 0.000 1.764 228 C CB -0.441 27.320 27.740 0.034 0.000 3.238 228 C HN 0.270 nan 8.230 nan 0.000 0.524 229 S N 2.661 118.224 115.700 -0.228 0.000 2.388 229 S HA -0.120 4.350 4.470 0.000 0.000 0.223 229 S C 1.261 175.768 174.600 -0.156 0.000 1.034 229 S CA 1.415 59.449 58.200 -0.278 0.000 0.963 229 S CB -0.797 62.123 63.200 -0.467 0.000 0.827 229 S HN 0.741 nan 8.310 nan 0.000 0.481 230 N N 1.420 120.047 118.700 -0.121 0.000 2.322 230 N HA 0.220 4.960 4.740 0.000 0.000 0.194 230 N C -0.304 175.175 175.510 -0.052 0.000 1.126 230 N CA -0.173 52.831 53.050 -0.076 0.000 0.845 230 N CB -0.078 38.370 38.487 -0.067 0.000 0.976 230 N HN 0.516 nan 8.380 nan 0.000 0.475 231 E N 0.404 120.573 120.200 -0.050 0.000 2.277 231 E HA 0.412 4.762 4.350 0.000 0.000 0.266 231 E C -2.487 174.102 176.600 -0.018 0.000 0.901 231 E CA -2.366 54.018 56.400 -0.027 0.000 0.782 231 E CB 1.671 31.360 29.700 -0.018 0.000 1.228 231 E HN 0.099 nan 8.360 nan 0.000 0.424 232 P HA -0.016 nan 4.420 nan 0.000 0.271 232 P C -0.048 177.258 177.300 0.009 0.000 1.244 232 P CA -0.304 62.795 63.100 -0.001 0.000 0.793 232 P CB 0.452 32.153 31.700 0.002 0.000 0.984 233 V N 0.177 120.098 119.914 0.011 0.000 3.367 233 V HA 0.176 4.296 4.120 0.000 0.000 0.304 233 V C 1.546 177.659 176.094 0.031 0.000 1.131 233 V CA 1.089 63.402 62.300 0.022 0.000 1.233 233 V CB -0.475 31.358 31.823 0.016 0.000 1.021 233 V HN 0.919 nan 8.190 nan 0.000 0.497 234 G N 0.751 109.578 108.800 0.045 0.000 2.671 234 G HA2 0.452 4.412 3.960 0.000 0.000 0.275 234 G HA3 0.452 4.412 3.960 0.000 0.000 0.275 234 G C -1.436 173.489 174.900 0.043 0.000 1.368 234 G CA -0.351 44.781 45.100 0.052 0.000 1.044 234 G HN 0.585 nan 8.290 nan 0.000 0.543 235 P HA -0.068 nan 4.420 nan 0.000 0.221 235 P C 0.326 177.631 177.300 0.008 0.000 1.145 235 P CA 1.265 64.387 63.100 0.037 0.000 0.795 235 P CB 0.024 31.764 31.700 0.067 0.000 0.775 236 S N -1.110 114.601 115.700 0.017 0.000 3.631 236 S HA -0.130 4.340 4.470 0.000 0.000 0.366 236 S C 1.077 175.632 174.600 -0.075 0.000 0.993 236 S CA 0.158 58.349 58.200 -0.015 0.000 1.167 236 S CB -1.802 61.377 63.200 -0.033 0.000 0.909 236 S HN 0.169 nan 8.310 nan 0.000 0.478 237 I N 0.232 120.745 120.570 -0.096 0.000 2.335 237 I HA -0.260 3.910 4.170 0.000 0.000 0.251 237 I C 2.714 178.684 176.117 -0.244 0.000 1.129 237 I CA 1.856 63.022 61.300 -0.223 0.000 1.402 237 I CB -1.867 35.800 38.000 -0.555 0.000 1.069 237 I HN 0.662 nan 8.210 nan 0.000 0.424 238 A N 1.114 123.888 122.820 -0.078 0.000 1.917 238 A HA -0.225 4.096 4.320 0.000 0.000 0.219 238 A C 2.568 179.877 177.584 -0.458 0.000 1.182 238 A CA 2.142 54.086 52.037 -0.154 0.000 0.633 238 A CB -0.817 18.278 19.000 0.158 0.000 0.819 238 A HN 0.434 nan 8.150 nan 0.000 0.448 239 A N -0.438 122.189 122.820 -0.322 0.000 2.084 239 A HA -0.101 4.219 4.320 0.000 0.000 0.221 239 A C 1.998 179.294 177.584 -0.479 0.000 1.161 239 A CA 1.537 53.364 52.037 -0.349 0.000 0.653 239 A CB -0.645 18.220 19.000 -0.224 0.000 0.802 239 A HN 0.532 nan 8.150 nan 0.000 0.457 240 L N -0.090 120.752 121.223 -0.636 0.000 2.465 240 L HA -0.103 4.237 4.340 0.000 0.000 0.224 240 L C 2.632 178.660 176.870 -1.403 0.000 1.145 240 L CA 1.401 55.754 54.840 -0.812 0.000 0.834 240 L CB -0.628 40.980 42.059 -0.752 0.000 0.944 240 L HN 0.646 nan 8.230 nan 0.000 0.451 241 T N -4.433 109.225 114.554 -1.494 0.000 3.085 241 T HA -0.076 4.274 4.350 0.000 0.000 0.263 241 T C 1.728 175.986 174.700 -0.737 0.000 1.127 241 T CA 0.828 62.039 62.100 -1.483 0.000 1.103 241 T CB -0.191 67.901 68.868 -1.293 0.000 0.921 241 T HN 0.376 nan 8.240 nan 0.000 0.510 242 S N -0.373 115.012 115.700 -0.526 0.000 2.605 242 S HA 0.213 4.683 4.470 0.000 0.000 0.217 242 S C 0.519 175.056 174.600 -0.105 0.000 0.958 242 S CA -0.609 57.463 58.200 -0.213 0.000 0.919 242 S CB -0.066 63.023 63.200 -0.186 0.000 0.780 242 S HN 0.393 nan 8.310 nan 0.000 0.507 243 E N 1.961 122.049 120.200 -0.186 0.000 2.322 243 E HA 0.196 4.546 4.350 0.000 0.000 0.257 243 E C 0.005 176.614 176.600 0.016 0.000 1.155 243 E CA -0.437 55.926 56.400 -0.062 0.000 0.936 243 E CB 0.482 30.150 29.700 -0.054 0.000 1.130 243 E HN 0.356 nan 8.360 nan 0.000 0.465 244 E N 1.414 121.634 120.200 0.032 0.000 2.452 244 E HA -0.124 4.226 4.350 0.000 0.000 0.261 244 E C 0.833 177.490 176.600 0.094 0.000 0.987 244 E CA -0.008 56.419 56.400 0.045 0.000 0.926 244 E CB 0.498 30.213 29.700 0.025 0.000 0.934 244 E HN 0.308 nan 8.360 nan 0.000 0.452 245 R N 2.728 123.285 120.500 0.094 0.000 2.117 245 R HA -0.127 4.213 4.340 0.000 0.000 0.243 245 R C 2.029 178.388 176.300 0.098 0.000 1.143 245 R CA 1.766 57.941 56.100 0.125 0.000 0.968 245 R CB -1.195 29.156 30.300 0.085 0.000 0.863 245 R HN 0.521 nan 8.270 nan 0.000 0.444 246 T N 0.885 115.475 114.554 0.059 0.000 2.812 246 T HA -0.002 4.348 4.350 0.000 0.000 0.264 246 T C 1.945 176.674 174.700 0.049 0.000 1.042 246 T CA 0.841 62.961 62.100 0.034 0.000 1.140 246 T CB -0.014 68.864 68.868 0.017 0.000 0.870 246 T HN 0.270 nan 8.240 nan 0.000 0.445 247 R N 0.021 120.564 120.500 0.072 0.000 2.083 247 R HA -0.096 4.244 4.340 0.000 0.000 0.237 247 R C 2.380 178.780 176.300 0.166 0.000 1.137 247 R CA 1.626 57.776 56.100 0.083 0.000 0.951 247 R CB -0.454 29.884 30.300 0.064 0.000 0.851 247 R HN 0.580 nan 8.270 nan 0.000 0.434 248 W N 1.202 122.473 121.300 -0.048 0.000 2.338 248 W HA -0.262 4.398 4.660 0.000 0.000 0.304 248 W C 1.975 178.474 176.519 -0.034 0.000 1.212 248 W CA 0.998 58.306 57.345 -0.062 0.000 1.264 248 W CB -0.088 29.321 29.460 -0.085 0.000 1.142 248 W HN 0.166 nan 8.180 nan 0.000 0.512 249 A N 0.892 123.645 122.820 -0.112 0.000 1.933 249 A HA -0.230 4.090 4.320 0.000 0.000 0.218 249 A C 1.891 179.382 177.584 -0.155 0.000 1.175 249 A CA 2.046 53.920 52.037 -0.272 0.000 0.628 249 A CB -0.702 18.211 19.000 -0.144 0.000 0.814 249 A HN 0.398 nan 8.150 nan 0.000 0.444 250 K N -0.518 119.860 120.400 -0.037 0.000 2.062 250 K HA 0.082 4.402 4.320 0.000 0.000 0.205 250 K C 2.297 178.926 176.600 0.048 0.000 1.051 250 K CA 0.913 57.205 56.287 0.007 0.000 0.941 250 K CB -0.259 32.253 32.500 0.020 0.000 0.719 250 K HN 0.413 nan 8.250 nan 0.000 0.440 251 A N 1.611 124.481 122.820 0.083 0.000 1.933 251 A HA -0.179 4.141 4.320 0.000 0.000 0.218 251 A C 2.094 179.774 177.584 0.160 0.000 1.175 251 A CA 1.385 53.512 52.037 0.150 0.000 0.628 251 A CB -0.404 18.748 19.000 0.254 0.000 0.814 251 A HN 0.209 nan 8.150 nan 0.000 0.444 252 R N -0.027 120.441 120.500 -0.054 0.000 2.062 252 R HA -0.146 4.194 4.340 0.000 0.000 0.231 252 R C 2.023 178.299 176.300 -0.040 0.000 1.136 252 R CA 1.743 57.726 56.100 -0.196 0.000 0.948 252 R CB -0.315 29.548 30.300 -0.727 0.000 0.845 252 R HN 0.663 nan 8.270 nan 0.000 0.430 253 E N -0.702 119.472 120.200 -0.043 0.000 2.118 253 E HA -0.270 4.080 4.350 0.000 0.000 0.195 253 E C 1.736 178.372 176.600 0.060 0.000 0.992 253 E CA 1.597 57.998 56.400 0.002 0.000 0.804 253 E CB -0.277 29.424 29.700 0.002 0.000 0.741 253 E HN 0.416 nan 8.360 nan 0.000 0.458 254 Y N 1.358 121.656 120.300 -0.004 0.000 2.092 254 Y HA -0.229 4.321 4.550 0.000 0.000 0.282 254 Y C 2.302 178.224 175.900 0.036 0.000 1.126 254 Y CA 1.381 59.492 58.100 0.018 0.000 1.111 254 Y CB -0.468 38.007 38.460 0.024 0.000 0.987 254 Y HN 0.023 nan 8.280 nan 0.000 0.489 255 L N 0.633 122.038 121.223 0.303 0.000 2.103 255 L HA -0.284 4.056 4.340 0.000 0.000 0.215 255 L C 2.034 178.966 176.870 0.103 0.000 1.080 255 L CA 1.986 56.958 54.840 0.220 0.000 0.764 255 L CB -0.775 41.418 42.059 0.222 0.000 0.890 255 L HN 0.452 nan 8.230 nan 0.000 0.435 256 I N -1.097 119.514 120.570 0.068 0.000 2.333 256 I HA -0.217 3.953 4.170 0.000 0.000 0.246 256 I C 2.509 178.610 176.117 -0.027 0.000 1.106 256 I CA 1.137 62.462 61.300 0.040 0.000 1.411 256 I CB -0.571 37.449 38.000 0.034 0.000 1.082 256 I HN 0.437 nan 8.210 nan 0.000 0.420 257 S N 1.387 117.032 115.700 -0.091 0.000 2.440 257 S HA -0.143 4.327 4.470 0.000 0.000 0.238 257 S C 1.955 176.452 174.600 -0.172 0.000 1.010 257 S CA 0.989 59.103 58.200 -0.143 0.000 0.972 257 S CB -0.783 62.293 63.200 -0.206 0.000 0.774 257 S HN 0.417 nan 8.310 nan 0.000 0.501 258 L N 0.580 121.685 121.223 -0.197 0.000 2.109 258 L HA 0.158 4.498 4.340 0.000 0.000 0.207 258 L C 0.579 177.417 176.870 -0.053 0.000 1.086 258 L CA 1.064 55.818 54.840 -0.143 0.000 0.760 258 L CB -0.119 41.880 42.059 -0.100 0.000 0.910 258 L HN 0.357 nan 8.230 nan 0.000 0.437 259 D N -2.132 118.256 120.400 -0.019 0.000 2.763 259 D HA 0.179 4.819 4.640 0.000 0.000 0.235 259 D C -2.177 174.127 176.300 0.007 0.000 1.334 259 D CA -1.592 52.408 54.000 0.000 0.000 0.950 259 D CB 2.118 42.932 40.800 0.023 0.000 1.433 259 D HN -0.279 nan 8.370 nan 0.000 0.580 260 P HA -0.113 nan 4.420 nan 0.000 0.223 260 P C 0.981 178.282 177.300 0.001 0.000 1.144 260 P CA 0.687 63.785 63.100 -0.003 0.000 0.783 260 P CB 0.423 32.117 31.700 -0.011 0.000 0.771 261 E N -0.329 119.868 120.200 -0.006 0.000 2.216 261 E HA -0.141 4.209 4.350 0.000 0.000 0.192 261 E C 1.403 177.993 176.600 -0.017 0.000 0.988 261 E CA 0.637 57.023 56.400 -0.024 0.000 0.834 261 E CB -0.417 29.258 29.700 -0.043 0.000 0.772 261 E HN 0.162 nan 8.360 nan 0.000 0.479 262 N N 1.334 120.059 118.700 0.041 0.000 2.205 262 N HA -0.177 4.563 4.740 0.000 0.000 0.186 262 N C 1.977 177.581 175.510 0.156 0.000 1.015 262 N CA 0.773 53.906 53.050 0.139 0.000 0.862 262 N CB -0.326 38.313 38.487 0.254 0.000 0.986 262 N HN 0.234 nan 8.380 nan 0.000 0.429 263 L N 1.300 122.580 121.223 0.095 0.000 2.083 263 L HA -0.078 4.262 4.340 0.000 0.000 0.209 263 L C 1.940 178.842 176.870 0.054 0.000 1.083 263 L CA 1.614 56.506 54.840 0.087 0.000 0.752 263 L CB -0.986 41.103 42.059 0.050 0.000 0.899 263 L HN 0.033 nan 8.230 nan 0.000 0.433 264 T N -0.345 114.210 114.554 0.002 0.000 2.777 264 T HA -0.115 4.235 4.350 0.000 0.000 0.266 264 T C 1.809 176.457 174.700 -0.085 0.000 1.040 264 T CA 1.624 63.696 62.100 -0.047 0.000 1.141 264 T CB -0.230 68.595 68.868 -0.072 0.000 0.868 264 T HN 0.177 nan 8.240 nan 0.000 0.444 265 L N 0.629 121.775 121.223 -0.129 0.000 2.056 265 L HA 0.098 4.438 4.340 0.000 0.000 0.207 265 L C 2.333 179.170 176.870 -0.054 0.000 1.078 265 L CA 1.294 55.982 54.840 -0.254 0.000 0.749 265 L CB -0.923 40.696 42.059 -0.735 0.000 0.901 265 L HN 0.241 nan 8.230 nan 0.000 0.433 266 L N -0.864 120.461 121.223 0.169 0.000 2.079 266 L HA -0.231 4.109 4.340 0.000 0.000 0.210 266 L C 2.440 179.377 176.870 0.112 0.000 1.081 266 L CA 1.291 56.292 54.840 0.270 0.000 0.752 266 L CB -0.525 41.751 42.059 0.361 0.000 0.896 266 L HN 0.365 nan 8.230 nan 0.000 0.433 267 E N -0.129 120.105 120.200 0.057 0.000 2.204 267 E HA -0.192 4.158 4.350 0.000 0.000 0.194 267 E C 2.133 178.688 176.600 -0.076 0.000 0.989 267 E CA 0.706 57.108 56.400 0.003 0.000 0.824 267 E CB 0.051 29.741 29.700 -0.017 0.000 0.756 267 E HN 0.414 nan 8.360 nan 0.000 0.477 268 K N 0.621 120.966 120.400 -0.092 0.000 2.057 268 K HA -0.105 4.215 4.320 0.000 0.000 0.207 268 K C 2.135 178.725 176.600 -0.016 0.000 1.049 268 K CA 1.002 57.227 56.287 -0.103 0.000 0.931 268 K CB -0.051 32.333 32.500 -0.195 0.000 0.714 268 K HN 0.132 nan 8.250 nan 0.000 0.440 269 I N 0.952 121.438 120.570 -0.140 0.000 2.252 269 I HA -0.277 3.893 4.170 0.000 0.000 0.245 269 I C 2.329 178.316 176.117 -0.216 0.000 1.102 269 I CA 1.258 62.381 61.300 -0.296 0.000 1.385 269 I CB -0.258 37.321 38.000 -0.702 0.000 1.064 269 I HN 0.196 nan 8.210 nan 0.000 0.414 270 Q N 0.286 120.040 119.800 -0.077 0.000 2.124 270 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 270 Q C 2.208 178.290 176.000 0.137 0.000 0.977 270 Q CA 2.287 58.163 55.803 0.121 0.000 0.850 270 Q CB -0.194 28.707 28.738 0.271 0.000 0.901 270 Q HN 0.638 nan 8.270 nan 0.000 0.429 271 T N -1.938 112.533 114.554 -0.139 0.000 3.067 271 T HA 0.032 4.382 4.350 0.000 0.000 0.261 271 T C 1.057 175.609 174.700 -0.248 0.000 1.110 271 T CA 0.167 62.070 62.100 -0.328 0.000 1.113 271 T CB -0.137 68.417 68.868 -0.523 0.000 0.917 271 T HN 0.209 nan 8.240 nan 0.000 0.499 272 S N 1.449 116.952 115.700 -0.327 0.000 2.563 272 S HA 0.186 4.656 4.470 0.000 0.000 0.284 272 S C 1.342 175.705 174.600 -0.394 0.000 1.331 272 S CA -0.646 57.123 58.200 -0.719 0.000 1.047 272 S CB 0.197 63.108 63.200 -0.482 0.000 0.859 272 S HN 0.362 nan 8.310 nan 0.000 0.514 273 L N 1.020 121.922 121.223 -0.535 0.000 2.089 273 L HA -0.018 4.322 4.340 0.000 0.000 0.213 273 L C 0.643 177.668 176.870 0.259 0.000 1.079 273 L CA 1.625 56.321 54.840 -0.240 0.000 0.758 273 L CB -0.810 40.849 42.059 -0.668 0.000 0.891 273 L HN 0.895 nan 8.230 nan 0.000 0.433 274 F N -5.565 114.382 119.950 -0.005 0.000 2.878 274 F HA 0.493 5.020 4.527 0.000 0.000 0.322 274 F C -1.290 174.495 175.800 -0.024 0.000 1.154 274 F CA -1.731 56.316 58.000 0.077 0.000 0.896 274 F CB 0.479 39.636 39.000 0.262 0.000 1.313 274 F HN -0.499 nan 8.300 nan 0.000 0.451 275 V N 2.088 122.161 119.914 0.266 0.000 2.427 275 V HA 0.352 4.472 4.120 0.000 0.000 0.286 275 V C -1.279 174.992 176.094 0.296 0.000 1.034 275 V CA -0.563 61.827 62.300 0.150 0.000 0.893 275 V CB 1.262 33.148 31.823 0.104 0.000 0.982 275 V HN 0.743 nan 8.190 nan 0.000 0.452 276 Y N 3.447 123.810 120.300 0.105 0.000 2.342 276 Y HA 0.535 5.085 4.550 0.000 0.000 0.338 276 Y C 0.352 176.301 175.900 0.082 0.000 0.965 276 Y CA -0.389 57.796 58.100 0.142 0.000 1.159 276 Y CB 1.565 40.128 38.460 0.171 0.000 1.157 276 Y HN 0.625 nan 8.280 nan 0.000 0.486 277 S N 7.110 122.610 115.700 -0.334 0.000 2.442 277 S HA 0.548 5.018 4.470 0.000 0.000 0.297 277 S C -0.475 173.853 174.600 -0.453 0.000 1.131 277 S CA -0.639 57.392 58.200 -0.282 0.000 1.092 277 S CB 0.546 63.623 63.200 -0.205 0.000 0.998 277 S HN 0.577 nan 8.310 nan 0.000 0.478 278 I N 3.550 123.969 120.570 -0.251 0.000 2.330 278 I HA 0.276 4.446 4.170 0.000 0.000 0.286 278 I C 0.345 176.374 176.117 -0.146 0.000 1.025 278 I CA -0.361 60.813 61.300 -0.211 0.000 1.197 278 I CB 0.721 38.697 38.000 -0.041 0.000 1.358 278 I HN 0.479 nan 8.210 nan 0.000 0.467 279 E N 4.933 125.002 120.200 -0.220 0.000 2.254 279 E HA 0.252 4.602 4.350 0.000 0.000 0.261 279 E C -0.383 176.213 176.600 -0.007 0.000 1.051 279 E CA -0.453 55.880 56.400 -0.112 0.000 0.902 279 E CB 1.790 31.384 29.700 -0.177 0.000 1.168 279 E HN 0.473 nan 8.360 nan 0.000 0.423 280 D N -0.112 120.322 120.400 0.057 0.000 2.474 280 D HA 0.031 4.671 4.640 0.000 0.000 0.213 280 D C 0.396 176.748 176.300 0.086 0.000 1.120 280 D CA 0.207 54.248 54.000 0.069 0.000 0.836 280 D CB 0.592 41.427 40.800 0.058 0.000 1.019 280 D HN 0.273 nan 8.370 nan 0.000 0.507 281 S N -0.123 115.663 115.700 0.143 0.000 2.624 281 S HA 0.436 4.906 4.470 0.000 0.000 0.263 281 S C 0.348 174.996 174.600 0.081 0.000 1.287 281 S CA -0.373 57.893 58.200 0.111 0.000 0.990 281 S CB 1.674 64.951 63.200 0.128 0.000 0.950 281 S HN -0.141 nan 8.310 nan 0.000 0.561 282 S N 2.715 118.383 115.700 -0.053 0.000 2.389 282 S HA 0.376 4.846 4.470 0.000 0.000 0.201 282 S C -2.680 171.788 174.600 -0.220 0.000 1.422 282 S CA -0.875 57.249 58.200 -0.127 0.000 1.216 282 S CB 0.973 64.138 63.200 -0.058 0.000 1.130 282 S HN 0.700 nan 8.310 nan 0.000 0.465 283 P HA 0.085 nan 4.420 nan 0.000 0.271 283 P C -0.534 176.620 177.300 -0.244 0.000 1.216 283 P CA -0.235 62.640 63.100 -0.376 0.000 0.771 283 P CB 0.353 31.665 31.700 -0.647 0.000 0.864 284 H N 2.695 121.635 119.070 -0.216 0.000 3.145 284 H HA 0.347 4.903 4.556 0.000 0.000 0.263 284 H C -0.450 174.743 175.328 -0.225 0.000 1.057 284 H CA 0.127 56.069 56.048 -0.175 0.000 1.477 284 H CB -0.451 29.245 29.762 -0.110 0.000 1.529 284 H HN 0.452 nan 8.280 nan 0.000 0.508 285 A N 4.957 127.390 122.820 -0.646 0.000 2.323 285 A HA 0.550 4.870 4.320 0.000 0.000 0.305 285 A C -0.357 176.728 177.584 -0.831 0.000 1.275 285 A CA -0.100 51.424 52.037 -0.855 0.000 0.804 285 A CB 0.404 18.720 19.000 -1.141 0.000 1.152 285 A HN 0.800 nan 8.150 nan 0.000 0.487 286 T N -0.268 114.015 114.554 -0.451 0.000 2.900 286 T HA 0.624 4.974 4.350 0.000 0.000 0.303 286 T C -2.630 172.302 174.700 0.386 0.000 1.142 286 T CA -1.654 60.431 62.100 -0.024 0.000 1.007 286 T CB 1.787 70.601 68.868 -0.089 0.000 1.156 286 T HN 0.033 nan 8.240 nan 0.000 0.490 287 P HA -0.087 nan 4.420 nan 0.000 0.219 287 P C 0.780 178.328 177.300 0.412 0.000 1.144 287 P CA 1.184 64.513 63.100 0.382 0.000 0.806 287 P CB 0.182 32.009 31.700 0.211 0.000 0.771 288 E N -1.260 119.128 120.200 0.314 0.000 2.099 288 E HA 0.025 4.375 4.350 0.000 0.000 0.191 288 E C 0.556 177.266 176.600 0.183 0.000 0.962 288 E CA 0.776 57.321 56.400 0.242 0.000 0.826 288 E CB -0.189 29.610 29.700 0.165 0.000 0.788 288 E HN 0.083 nan 8.360 nan 0.000 0.461 289 E N -0.368 119.931 120.200 0.166 0.000 2.182 289 E HA 0.217 4.567 4.350 0.000 0.000 0.258 289 E C -1.150 175.491 176.600 0.069 0.000 0.879 289 E CA -0.478 55.956 56.400 0.057 0.000 0.754 289 E CB 0.541 30.349 29.700 0.180 0.000 1.162 289 E HN 0.207 nan 8.360 nan 0.000 0.419 290 Y N 1.586 121.957 120.300 0.117 0.000 2.666 290 Y HA 0.247 4.797 4.550 0.000 0.000 0.260 290 Y C 1.446 177.422 175.900 0.127 0.000 1.089 290 Y CA 0.182 58.304 58.100 0.036 0.000 1.246 290 Y CB -0.501 38.048 38.460 0.150 0.000 1.353 290 Y HN 0.329 nan 8.280 nan 0.000 0.558 291 S N 0.344 116.048 115.700 0.006 0.000 2.402 291 S HA -0.376 4.094 4.470 0.000 0.000 0.233 291 S C 1.840 176.569 174.600 0.215 0.000 1.030 291 S CA 1.837 60.161 58.200 0.206 0.000 1.003 291 S CB -0.529 62.684 63.200 0.022 0.000 0.813 291 S HN 0.690 nan 8.310 nan 0.000 0.477 292 Q N 0.622 120.475 119.800 0.087 0.000 2.170 292 Q HA -0.084 4.256 4.340 0.000 0.000 0.203 292 Q C 2.020 178.002 176.000 -0.030 0.000 0.976 292 Q CA 1.611 57.429 55.803 0.025 0.000 0.858 292 Q CB -0.323 28.411 28.738 -0.008 0.000 0.907 292 Q HN 0.613 nan 8.270 nan 0.000 0.433 293 V N 0.163 120.042 119.914 -0.058 0.000 2.427 293 V HA -0.228 3.892 4.120 0.000 0.000 0.248 293 V C 1.786 177.840 176.094 -0.066 0.000 1.051 293 V CA 1.546 63.741 62.300 -0.175 0.000 1.048 293 V CB -0.682 31.015 31.823 -0.209 0.000 0.666 293 V HN 0.316 nan 8.190 nan 0.000 0.456 294 F N 0.400 120.407 119.950 0.096 0.000 2.134 294 F HA -0.045 4.482 4.527 0.000 0.000 0.299 294 F C 1.682 177.524 175.800 0.070 0.000 1.097 294 F CA 0.694 58.756 58.000 0.103 0.000 1.264 294 F CB -0.428 38.635 39.000 0.106 0.000 1.001 294 F HN 0.198 nan 8.300 nan 0.000 0.479 298 L N -0.592 120.744 121.223 0.190 0.000 2.341 298 L HA 0.215 4.555 4.340 0.000 0.000 0.214 298 L C 1.729 178.719 176.870 0.201 0.000 1.115 298 L CA 1.172 56.113 54.840 0.168 0.000 0.820 298 L CB -0.257 41.879 42.059 0.129 0.000 0.944 298 L HN 0.439 nan 8.230 nan 0.000 0.452 299 G N -1.228 107.696 108.800 0.207 0.000 2.606 299 G HA2 0.463 4.424 3.960 0.000 0.000 0.213 299 G HA3 0.463 4.424 3.960 0.000 0.000 0.213 299 G C 0.595 175.672 174.900 0.295 0.000 2.020 299 G CA 0.493 45.757 45.100 0.273 0.000 0.814 299 G HN 0.409 nan 8.290 nan 0.000 0.685 300 G N -0.245 108.674 108.800 0.199 0.000 2.645 300 G HA2 -0.175 3.785 3.960 0.000 0.000 0.246 300 G HA3 -0.175 3.785 3.960 0.000 0.000 0.246 300 G C -0.694 174.259 174.900 0.087 0.000 1.322 300 G CA 0.320 45.514 45.100 0.158 0.000 0.898 300 G HN 0.749 nan 8.290 nan 0.000 0.573 301 D N 0.894 121.312 120.400 0.030 0.000 2.427 301 D HA 0.505 5.145 4.640 0.000 0.000 0.226 301 D C -1.136 175.102 176.300 -0.104 0.000 1.076 301 D CA -1.849 52.138 54.000 -0.021 0.000 0.849 301 D CB 1.340 42.139 40.800 -0.001 0.000 1.052 301 D HN -0.009 nan 8.370 nan 0.000 0.515 302 P HA -0.169 nan 4.420 nan 0.000 0.220 302 P C 1.417 178.602 177.300 -0.193 0.000 1.144 302 P CA 0.963 63.874 63.100 -0.315 0.000 0.800 302 P CB 0.195 31.645 31.700 -0.416 0.000 0.772 303 S N -1.101 114.530 115.700 -0.115 0.000 2.440 303 S HA -0.111 4.359 4.470 0.000 0.000 0.238 303 S C 1.414 176.003 174.600 -0.019 0.000 1.010 303 S CA 1.451 59.613 58.200 -0.064 0.000 0.972 303 S CB -1.383 61.798 63.200 -0.031 0.000 0.774 303 S HN 0.184 nan 8.310 nan 0.000 0.501 304 V N -2.336 117.563 119.914 -0.024 0.000 3.070 304 V HA 0.570 4.690 4.120 0.000 0.000 0.345 304 V C -0.193 175.906 176.094 0.008 0.000 1.403 304 V CA -0.896 61.413 62.300 0.015 0.000 1.155 304 V CB -0.398 31.425 31.823 -0.001 0.000 1.140 304 V HN 0.132 nan 8.190 nan 0.000 0.505 305 R N 0.840 121.329 120.500 -0.019 0.000 2.562 305 R HA 0.399 4.739 4.340 0.000 0.000 0.298 305 R C -1.471 174.855 176.300 0.043 0.000 0.961 305 R CA -0.567 55.525 56.100 -0.014 0.000 0.881 305 R CB 2.063 32.300 30.300 -0.105 0.000 1.159 305 R HN 0.621 nan 8.270 nan 0.000 0.450 306 W N 3.901 125.155 121.300 -0.077 0.000 2.313 306 W HA 0.213 4.873 4.660 0.000 0.000 0.315 306 W C 0.559 177.053 176.519 -0.043 0.000 0.917 306 W CA -0.661 56.650 57.345 -0.057 0.000 1.626 306 W CB 1.324 30.789 29.460 0.008 0.000 1.574 306 W HN 0.896 nan 8.180 nan 0.000 0.395 307 G N 1.903 110.590 108.800 -0.188 0.000 2.485 307 G HA2 -0.331 3.630 3.960 0.000 0.000 0.221 307 G HA3 -0.331 3.630 3.960 0.000 0.000 0.221 307 G C 0.973 175.849 174.900 -0.039 0.000 1.115 307 G CA 1.011 46.042 45.100 -0.114 0.000 0.751 307 G HN 0.368 nan 8.290 nan 0.000 0.567 308 D N -0.183 120.182 120.400 -0.060 0.000 2.348 308 D HA 0.041 4.681 4.640 0.000 0.000 0.216 308 D C 1.123 177.584 176.300 0.269 0.000 0.970 308 D CA 0.553 54.635 54.000 0.136 0.000 0.889 308 D CB 0.135 41.079 40.800 0.240 0.000 0.912 308 D HN 0.164 nan 8.370 nan 0.000 0.524 309 K N 0.631 121.250 120.400 0.366 0.000 2.322 309 K HA 0.070 4.390 4.320 0.000 0.000 0.283 309 K C 1.270 177.954 176.600 0.139 0.000 1.042 309 K CA -0.102 56.359 56.287 0.291 0.000 0.958 309 K CB 0.918 33.608 32.500 0.316 0.000 0.984 309 K HN -0.132 nan 8.250 nan 0.000 0.473 310 S N 3.784 119.530 115.700 0.075 0.000 2.400 310 S HA -0.181 4.289 4.470 0.000 0.000 0.232 310 S C 0.368 175.065 174.600 0.161 0.000 1.025 310 S CA 0.784 58.965 58.200 -0.033 0.000 0.993 310 S CB -0.309 62.712 63.200 -0.298 0.000 0.808 310 S HN 0.609 nan 8.310 nan 0.000 0.478 311 Y N 1.899 122.218 120.300 0.032 0.000 2.322 311 Y HA 0.531 5.081 4.550 0.000 0.000 0.324 311 Y C -1.048 174.911 175.900 0.099 0.000 1.027 311 Y CA -1.992 56.128 58.100 0.033 0.000 1.179 311 Y CB 0.904 39.342 38.460 -0.037 0.000 1.136 311 Y HN 0.283 nan 8.280 nan 0.000 0.449 312 N N 7.224 125.831 118.700 -0.155 0.000 2.626 312 N HA 0.319 5.059 4.740 0.000 0.000 0.242 312 N C -1.431 173.905 175.510 -0.290 0.000 1.005 312 N CA -0.405 52.553 53.050 -0.152 0.000 0.905 312 N CB 0.763 39.243 38.487 -0.011 0.000 1.128 312 N HN 0.697 nan 8.380 nan 0.000 0.512 313 L N 4.804 125.787 121.223 -0.401 0.000 2.410 313 L HA 0.257 4.597 4.340 0.000 0.000 0.273 313 L C -0.517 176.266 176.870 -0.146 0.000 1.144 313 L CA -0.167 54.523 54.840 -0.249 0.000 0.863 313 L CB 0.381 42.390 42.059 -0.082 0.000 1.140 313 L HN 0.535 nan 8.230 nan 0.000 0.463 314 I N 3.854 124.345 120.570 -0.132 0.000 2.354 314 I HA 0.209 4.380 4.170 0.000 0.000 0.292 314 I C 0.219 176.120 176.117 -0.360 0.000 0.989 314 I CA -0.154 60.950 61.300 -0.327 0.000 1.188 314 I CB 1.367 39.142 38.000 -0.375 0.000 1.342 314 I HN 0.433 nan 8.210 nan 0.000 0.457 315 S N 6.615 121.965 115.700 -0.583 0.000 2.456 315 S HA 0.690 5.160 4.470 0.000 0.000 0.316 315 S C -0.694 173.487 174.600 -0.699 0.000 1.089 315 S CA -0.358 57.498 58.200 -0.574 0.000 1.101 315 S CB 0.394 63.402 63.200 -0.321 0.000 0.995 315 S HN 0.281 nan 8.310 nan 0.000 0.468 316 F N 2.305 122.003 119.950 -0.419 0.000 2.410 316 F HA 0.577 5.104 4.527 0.000 0.000 0.324 316 F C 1.629 177.266 175.800 -0.273 0.000 1.093 316 F CA -0.524 57.309 58.000 -0.278 0.000 1.028 316 F CB 0.791 39.653 39.000 -0.231 0.000 1.309 316 F HN 0.694 nan 8.300 nan 0.000 0.499 317 A N 0.765 123.620 122.820 0.058 0.000 1.930 317 A HA -0.188 4.132 4.320 0.000 0.000 0.217 317 A C 1.467 179.018 177.584 -0.054 0.000 1.175 317 A CA 1.666 53.691 52.037 -0.020 0.000 0.627 317 A CB -1.073 17.936 19.000 0.015 0.000 0.815 317 A HN 0.781 nan 8.150 nan 0.000 0.443 318 N N -0.394 118.277 118.700 -0.049 0.000 2.471 318 N HA 0.282 5.022 4.740 0.000 0.000 0.205 318 N C 0.856 176.308 175.510 -0.097 0.000 1.251 318 N CA 0.758 53.767 53.050 -0.069 0.000 0.843 318 N CB -0.710 37.729 38.487 -0.080 0.000 1.044 318 N HN 0.677 nan 8.380 nan 0.000 0.461 319 G N -0.512 108.189 108.800 -0.165 0.000 2.179 319 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 319 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 319 G C -0.231 174.506 174.900 -0.271 0.000 1.010 319 G CA 0.191 45.143 45.100 -0.247 0.000 0.736 319 G HN 0.361 nan 8.290 nan 0.000 0.513 320 I N -0.430 119.984 120.570 -0.259 0.000 2.566 320 I HA 0.718 4.888 4.170 0.000 0.000 0.303 320 I C 0.361 176.338 176.117 -0.234 0.000 0.983 320 I CA -0.911 60.355 61.300 -0.058 0.000 1.235 320 I CB 1.113 39.087 38.000 -0.042 0.000 1.386 320 I HN -0.026 nan 8.210 nan 0.000 0.494 321 F N 1.442 121.585 119.950 0.321 0.000 2.593 321 F HA 0.780 5.307 4.527 0.000 0.000 0.320 321 F C 0.556 176.476 175.800 0.201 0.000 1.060 321 F CA -0.516 57.634 58.000 0.249 0.000 0.940 321 F CB 2.355 41.534 39.000 0.299 0.000 1.268 321 F HN 0.482 nan 8.300 nan 0.000 0.475 322 G N -0.225 108.764 108.800 0.315 0.000 2.660 322 G HA2 0.560 4.520 3.960 0.000 0.000 0.290 322 G HA3 0.560 4.520 3.960 0.000 0.000 0.290 322 G C -2.286 172.686 174.900 0.120 0.000 1.432 322 G CA -0.735 44.482 45.100 0.194 0.000 0.807 322 G HN 0.797 nan 8.290 nan 0.000 0.485 323 C N -0.563 118.800 119.300 0.106 0.000 2.561 323 C HA 0.815 5.275 4.460 0.000 0.000 0.319 323 C C -0.045 174.982 174.990 0.062 0.000 1.198 323 C CA -0.643 58.426 59.018 0.085 0.000 1.665 323 C CB 0.843 28.706 27.740 0.205 0.000 2.258 323 C HN 0.896 nan 8.230 nan 0.000 0.493 324 C N 2.761 122.062 119.300 0.001 0.000 2.397 324 C HA 0.830 5.290 4.460 0.000 0.000 0.325 324 C C -0.472 174.445 174.990 -0.120 0.000 1.201 324 C CA -0.218 58.773 59.018 -0.045 0.000 1.377 324 C CB -1.285 26.444 27.740 -0.018 0.000 2.038 324 C HN 1.019 nan 8.230 nan 0.000 0.457 325 C N 3.856 122.937 119.300 -0.366 0.000 2.634 325 C HA 0.561 5.021 4.460 0.000 0.000 0.313 325 C C -0.340 174.339 174.990 -0.518 0.000 1.198 325 C CA -0.385 58.364 59.018 -0.447 0.000 1.605 325 C CB 1.476 28.820 27.740 -0.659 0.000 2.196 325 C HN 0.883 nan 8.230 nan 0.000 0.486 326 D N 0.266 120.538 120.400 -0.214 0.000 2.339 326 D HA 0.059 4.699 4.640 0.000 0.000 0.256 326 D C 1.091 177.328 176.300 -0.105 0.000 1.214 326 D CA 0.409 54.334 54.000 -0.125 0.000 0.877 326 D CB 0.376 41.151 40.800 -0.042 0.000 1.111 326 D HN 0.640 nan 8.370 nan 0.000 0.478 327 H N 3.780 122.738 119.070 -0.186 0.000 2.546 327 H HA 0.054 4.610 4.556 0.000 0.000 0.277 327 H C 1.573 176.557 175.328 -0.573 0.000 1.004 327 H CA 1.106 57.089 56.048 -0.109 0.000 1.231 327 H CB 0.134 29.921 29.762 0.040 0.000 1.382 327 H HN 0.552 nan 8.280 nan 0.000 0.580 328 A N 1.697 124.269 122.820 -0.413 0.000 1.858 328 A HA -0.087 4.233 4.320 0.000 0.000 0.216 328 A C 0.018 177.464 177.584 -0.231 0.000 1.190 328 A CA 1.503 53.216 52.037 -0.541 0.000 0.617 328 A CB -1.301 17.615 19.000 -0.140 0.000 0.827 328 A HN 0.433 nan 8.150 nan 0.000 0.443 329 P HA 0.012 nan 4.420 nan 0.000 0.225 329 P C -0.295 177.009 177.300 0.006 0.000 1.156 329 P CA 1.308 64.331 63.100 -0.128 0.000 0.787 329 P CB 0.076 31.588 31.700 -0.313 0.000 0.802 330 Y N -2.686 117.600 120.300 -0.025 0.000 2.750 330 Y HA 0.574 5.125 4.550 0.000 0.000 0.335 330 Y C -1.070 174.887 175.900 0.095 0.000 1.252 330 Y CA -2.869 55.230 58.100 -0.001 0.000 1.064 330 Y CB -0.610 37.786 38.460 -0.106 0.000 1.321 330 Y HN -0.325 nan 8.280 nan 0.000 0.451 331 D N 0.724 121.170 120.400 0.077 0.000 2.387 331 D HA 0.622 5.262 4.640 0.000 0.000 0.255 331 D C 0.303 176.263 176.300 -0.566 0.000 1.081 331 D CA -0.122 53.811 54.000 -0.112 0.000 0.994 331 D CB 2.083 42.898 40.800 0.025 0.000 1.127 331 D HN 0.881 nan 8.370 nan 0.000 0.513 337 N N 0.610 119.310 118.700 -0.001 0.000 2.084 337 N HA -0.090 4.650 4.740 0.000 0.000 0.190 337 N C 1.776 177.289 175.510 0.006 0.000 1.030 337 N CA 2.214 55.343 53.050 0.132 0.000 0.849 337 N CB 0.256 38.975 38.487 0.388 0.000 1.012 337 N HN 0.608 nan 8.380 nan 0.000 0.423 338 I N 1.086 121.484 120.570 -0.286 0.000 2.252 338 I HA -0.193 3.977 4.170 0.000 0.000 0.245 338 I C 2.211 178.213 176.117 -0.193 0.000 1.102 338 I CA 0.923 61.827 61.300 -0.660 0.000 1.385 338 I CB -0.096 37.383 38.000 -0.869 0.000 1.064 338 I HN 0.004 nan 8.210 nan 0.000 0.414 339 A N -0.063 122.701 122.820 -0.095 0.000 1.940 339 A HA -0.338 3.983 4.320 0.000 0.000 0.219 339 A C 2.145 179.766 177.584 0.062 0.000 1.176 339 A CA 2.243 54.289 52.037 0.016 0.000 0.631 339 A CB -1.118 17.881 19.000 -0.002 0.000 0.814 339 A HN 0.716 nan 8.150 nan 0.000 0.446 340 H N -2.370 116.693 119.070 -0.012 0.000 2.363 340 H HA -0.159 4.397 4.556 0.000 0.000 0.301 340 H C 1.826 177.177 175.328 0.039 0.000 1.074 340 H CA 1.964 58.017 56.048 0.008 0.000 1.354 340 H CB -0.440 29.327 29.762 0.008 0.000 1.397 340 H HN 0.560 nan 8.280 nan 0.000 0.516 341 Y N 0.326 120.596 120.300 -0.051 0.000 2.128 341 Y HA -0.243 4.308 4.550 0.000 0.000 0.284 341 Y C 2.275 178.090 175.900 -0.142 0.000 1.154 341 Y CA 1.941 60.007 58.100 -0.056 0.000 1.149 341 Y CB -0.719 37.775 38.460 0.056 0.000 0.976 341 Y HN 0.117 nan 8.280 nan 0.000 0.505 342 V N 0.636 120.473 119.914 -0.129 0.000 2.343 342 V HA -0.294 3.826 4.120 0.000 0.000 0.247 342 V C 2.108 177.979 176.094 -0.371 0.000 1.051 342 V CA 2.274 64.427 62.300 -0.246 0.000 1.036 342 V CB -0.846 31.023 31.823 0.076 0.000 0.654 342 V HN 0.432 nan 8.190 nan 0.000 0.451 343 D N -0.014 120.309 120.400 -0.128 0.000 2.133 343 D HA -0.206 4.434 4.640 0.000 0.000 0.195 343 D C 2.178 178.274 176.300 -0.340 0.000 0.997 343 D CA 1.626 55.571 54.000 -0.092 0.000 0.840 343 D CB -0.039 40.751 40.800 -0.017 0.000 0.947 343 D HN 0.583 nan 8.370 nan 0.000 0.452 344 E N -0.635 119.278 120.200 -0.479 0.000 2.106 344 E HA -0.123 4.227 4.350 0.000 0.000 0.192 344 E C 2.279 178.604 176.600 -0.458 0.000 0.984 344 E CA 0.425 56.557 56.400 -0.447 0.000 0.806 344 E CB 0.086 29.534 29.700 -0.420 0.000 0.750 344 E HN 0.187 nan 8.360 nan 0.000 0.458 345 R N 0.648 120.763 120.500 -0.642 0.000 2.081 345 R HA -0.089 4.251 4.340 0.000 0.000 0.235 345 R C 2.409 178.348 176.300 -0.602 0.000 1.131 345 R CA 0.754 56.420 56.100 -0.724 0.000 0.960 345 R CB -0.909 28.636 30.300 -1.258 0.000 0.856 345 R HN 0.134 nan 8.270 nan 0.000 0.436 346 V N 1.664 121.196 119.914 -0.636 0.000 2.343 346 V HA -0.208 3.912 4.120 0.000 0.000 0.247 346 V C 2.547 178.429 176.094 -0.354 0.000 1.051 346 V CA 1.460 63.429 62.300 -0.551 0.000 1.036 346 V CB -0.497 30.822 31.823 -0.840 0.000 0.654 346 V HN 0.180 nan 8.190 nan 0.000 0.451 347 L N -0.309 120.730 121.223 -0.306 0.000 2.017 347 L HA -0.202 4.138 4.340 0.000 0.000 0.208 347 L C 2.656 179.427 176.870 -0.166 0.000 1.073 347 L CA 1.806 56.535 54.840 -0.186 0.000 0.745 347 L CB -0.585 41.296 42.059 -0.296 0.000 0.894 347 L HN 0.391 nan 8.230 nan 0.000 0.432 348 E N -0.662 119.416 120.200 -0.203 0.000 2.077 348 E HA -0.202 4.148 4.350 0.000 0.000 0.193 348 E C 1.770 178.271 176.600 -0.166 0.000 0.989 348 E CA 1.790 58.098 56.400 -0.153 0.000 0.800 348 E CB -0.174 29.446 29.700 -0.134 0.000 0.746 348 E HN 0.553 nan 8.360 nan 0.000 0.452 349 T N -1.825 112.617 114.554 -0.188 0.000 3.188 349 T HA 0.108 4.458 4.350 0.000 0.000 0.250 349 T C 0.274 174.790 174.700 -0.307 0.000 1.077 349 T CA -0.007 62.001 62.100 -0.153 0.000 0.967 349 T CB -0.129 68.744 68.868 0.009 0.000 1.006 349 T HN 0.146 nan 8.240 nan 0.000 0.552 350 E N 0.384 120.205 120.200 -0.633 0.000 2.660 350 E HA -0.228 4.122 4.350 0.000 0.000 0.260 350 E C 0.909 176.992 176.600 -0.863 0.000 1.122 350 E CA 0.409 55.950 56.400 -1.431 0.000 0.755 350 E CB -1.857 27.352 29.700 -0.818 0.000 1.345 350 E HN 0.961 nan 8.360 nan 0.000 0.421 351 G N 0.041 108.584 108.800 -0.428 0.000 2.198 351 G HA2 -0.355 3.605 3.960 0.000 0.000 0.257 351 G HA3 -0.355 3.605 3.960 0.000 0.000 0.257 351 G C -0.003 175.111 174.900 0.356 0.000 1.042 351 G CA 0.792 45.887 45.100 -0.009 0.000 0.791 351 G HN 0.290 nan 8.290 nan 0.000 0.502 352 R N -1.487 119.113 120.500 0.167 0.000 2.774 352 R HA 0.526 4.866 4.340 0.000 0.000 0.272 352 R C -0.669 175.755 176.300 0.206 0.000 1.000 352 R CA -0.933 55.284 56.100 0.195 0.000 0.906 352 R CB 1.522 31.872 30.300 0.083 0.000 1.227 352 R HN 0.289 nan 8.270 nan 0.000 0.468 353 W N 3.800 125.100 121.300 -0.001 0.000 2.335 353 W HA 0.304 4.964 4.660 0.000 0.000 0.307 353 W C -0.861 175.614 176.519 -0.073 0.000 1.117 353 W CA -0.477 56.818 57.345 -0.084 0.000 1.228 353 W CB 1.073 30.432 29.460 -0.168 0.000 1.240 353 W HN 0.585 nan 8.180 nan 0.000 0.468 354 K N 4.196 124.152 120.400 -0.739 0.000 2.537 354 K HA 0.223 4.544 4.320 0.000 0.000 0.206 354 K C 0.821 176.873 176.600 -0.913 0.000 1.041 354 K CA -0.248 55.653 56.287 -0.642 0.000 1.090 354 K CB 1.289 33.581 32.500 -0.346 0.000 0.833 354 K HN 0.489 nan 8.250 nan 0.000 0.493 355 G N 0.546 108.222 108.800 -1.874 0.000 2.606 355 G HA2 0.091 4.051 3.960 0.000 0.000 0.262 355 G HA3 0.091 4.051 3.960 0.000 0.000 0.262 355 G C -0.537 174.079 174.900 -0.472 0.000 1.394 355 G CA -0.443 43.897 45.100 -1.266 0.000 1.044 355 G HN 0.080 nan 8.290 nan 0.000 0.553 356 S N -1.182 114.513 115.700 -0.008 0.000 2.558 356 S HA 0.018 4.488 4.470 0.000 0.000 0.288 356 S C 0.957 175.738 174.600 0.302 0.000 1.318 356 S CA 0.259 58.539 58.200 0.133 0.000 1.056 356 S CB 0.434 63.715 63.200 0.136 0.000 0.853 356 S HN 0.525 nan 8.310 nan 0.000 0.505 357 E N 1.615 121.912 120.200 0.161 0.000 2.474 357 E HA 0.073 4.423 4.350 0.000 0.000 0.195 357 E C -0.018 176.623 176.600 0.068 0.000 1.039 357 E CA -0.188 56.298 56.400 0.144 0.000 0.881 357 E CB 0.295 30.046 29.700 0.086 0.000 0.970 357 E HN 0.450 nan 8.360 nan 0.000 0.486 358 K N 1.178 121.615 120.400 0.061 0.000 2.469 358 K HA 0.088 4.408 4.320 0.000 0.000 0.274 358 K C -0.073 176.525 176.600 -0.003 0.000 0.983 358 K CA 0.088 56.391 56.287 0.027 0.000 0.974 358 K CB 1.136 33.657 32.500 0.035 0.000 0.913 358 K HN -0.160 nan 8.250 nan 0.000 0.493 359 V N 4.482 124.382 119.914 -0.024 0.000 2.320 359 V HA 0.189 4.309 4.120 0.000 0.000 0.268 359 V C 0.440 176.496 176.094 -0.062 0.000 1.021 359 V CA -0.743 61.521 62.300 -0.060 0.000 0.813 359 V CB 0.589 32.368 31.823 -0.073 0.000 1.054 359 V HN 0.628 nan 8.190 nan 0.000 0.444 360 R N 1.365 121.831 120.500 -0.057 0.000 2.817 360 R HA 0.019 4.359 4.340 0.000 0.000 0.264 360 R C 0.125 176.345 176.300 -0.133 0.000 1.009 360 R CA 0.007 56.074 56.100 -0.055 0.000 1.133 360 R CB 0.468 30.766 30.300 -0.003 0.000 1.013 360 R HN 0.607 nan 8.270 nan 0.000 0.453 361 D N 2.531 122.872 120.400 -0.099 0.000 2.470 361 D HA 0.133 4.773 4.640 0.000 0.000 0.226 361 D C -0.390 175.782 176.300 -0.214 0.000 1.196 361 D CA -0.142 53.787 54.000 -0.118 0.000 0.979 361 D CB -0.047 40.725 40.800 -0.047 0.000 1.059 361 D HN 0.306 nan 8.370 nan 0.000 0.515 362 I N 0.062 120.445 120.570 -0.311 0.000 2.460 362 I HA 0.650 4.820 4.170 0.000 0.000 0.298 362 I C -2.240 173.750 176.117 -0.211 0.000 0.989 362 I CA -2.626 58.452 61.300 -0.371 0.000 1.173 362 I CB 1.332 39.049 38.000 -0.473 0.000 1.338 362 I HN 0.017 nan 8.210 nan 0.000 0.456 363 P HA 0.063 nan 4.420 nan 0.000 0.266 363 P C -0.586 176.602 177.300 -0.188 0.000 1.180 363 P CA 0.189 63.218 63.100 -0.119 0.000 0.765 363 P CB 0.456 32.124 31.700 -0.052 0.000 0.806 364 L N 4.427 125.495 121.223 -0.259 0.000 2.456 364 L HA 0.333 4.673 4.340 0.000 0.000 0.257 364 L C -1.907 174.768 176.870 -0.324 0.000 1.162 364 L CA -2.106 52.464 54.840 -0.450 0.000 0.808 364 L CB 0.162 41.755 42.059 -0.776 0.000 1.136 364 L HN 0.246 nan 8.230 nan 0.000 0.466 365 P HA 0.044 nan 4.420 nan 0.000 0.267 365 P C -1.256 176.183 177.300 0.232 0.000 1.205 365 P CA 0.074 63.243 63.100 0.115 0.000 0.765 365 P CB 0.370 32.230 31.700 0.267 0.000 0.828 366 E N 1.735 122.069 120.200 0.223 0.000 2.197 366 E HA 0.179 4.529 4.350 0.000 0.000 0.281 366 E C -0.166 176.497 176.600 0.105 0.000 0.995 366 E CA -0.698 55.787 56.400 0.142 0.000 0.808 366 E CB 1.200 30.912 29.700 0.020 0.000 1.093 366 E HN 0.443 nan 8.360 nan 0.000 0.394 367 E N 3.423 123.593 120.200 -0.050 0.000 2.343 367 E HA 0.161 4.511 4.350 0.000 0.000 0.269 367 E C -0.933 175.449 176.600 -0.364 0.000 1.047 367 E CA -0.486 55.593 56.400 -0.535 0.000 0.874 367 E CB 0.677 29.902 29.700 -0.790 0.000 1.033 367 E HN 0.408 nan 8.360 nan 0.000 0.409 368 L N 4.854 125.827 121.223 -0.416 0.000 2.287 368 L HA 0.268 4.608 4.340 0.000 0.000 0.280 368 L C -0.897 175.742 176.870 -0.384 0.000 1.055 368 L CA -0.930 53.672 54.840 -0.397 0.000 0.863 368 L CB 1.093 42.902 42.059 -0.417 0.000 1.245 368 L HN 0.398 nan 8.230 nan 0.000 0.432 369 V N 3.246 122.977 119.914 -0.305 0.000 2.299 369 V HA 0.199 4.319 4.120 0.000 0.000 0.255 369 V C 0.337 176.351 176.094 -0.134 0.000 1.100 369 V CA -0.432 61.771 62.300 -0.161 0.000 0.938 369 V CB -0.557 31.204 31.823 -0.103 0.000 1.139 369 V HN 0.359 nan 8.190 nan 0.000 0.490 370 F N 1.979 121.920 119.950 -0.015 0.000 2.545 370 F HA 0.181 4.708 4.527 0.000 0.000 0.348 370 F C 1.378 177.192 175.800 0.023 0.000 1.163 370 F CA 0.546 58.559 58.000 0.021 0.000 1.331 370 F CB 0.540 39.577 39.000 0.061 0.000 1.138 370 F HN 0.291 nan 8.300 nan 0.000 0.602 371 T N 3.385 118.077 114.554 0.231 0.000 2.733 371 T HA 0.540 4.890 4.350 0.000 0.000 0.294 371 T C -0.361 174.436 174.700 0.161 0.000 0.956 371 T CA -0.579 61.604 62.100 0.139 0.000 0.987 371 T CB 0.478 69.396 68.868 0.083 0.000 0.920 371 T HN 0.499 nan 8.240 nan 0.000 0.470 372 V N 1.128 121.123 119.914 0.135 0.000 3.158 372 V HA 0.947 5.067 4.120 0.000 0.000 0.311 372 V C -0.845 175.319 176.094 0.116 0.000 1.181 372 V CA -1.186 61.196 62.300 0.138 0.000 1.054 372 V CB 2.349 34.246 31.823 0.124 0.000 1.085 372 V HN 0.765 nan 8.190 nan 0.000 0.446 373 D N -0.900 119.583 120.400 0.139 0.000 2.855 373 D HA 0.324 4.964 4.640 0.000 0.000 0.231 373 D C 0.865 177.218 176.300 0.088 0.000 1.225 373 D CA 0.176 54.246 54.000 0.117 0.000 1.074 373 D CB 0.802 41.696 40.800 0.156 0.000 1.235 373 D HN 0.609 nan 8.370 nan 0.000 0.635 374 E N -0.576 119.669 120.200 0.074 0.000 2.170 374 E HA -0.082 4.268 4.350 0.000 0.000 0.191 374 E C 1.702 178.308 176.600 0.010 0.000 0.981 374 E CA 0.335 56.758 56.400 0.038 0.000 0.830 374 E CB 0.167 29.886 29.700 0.031 0.000 0.775 374 E HN 0.347 nan 8.360 nan 0.000 0.470 375 K N 0.745 121.145 120.400 0.000 0.000 1.973 375 K HA -0.147 4.173 4.320 0.000 0.000 0.212 375 K C 2.131 178.658 176.600 -0.121 0.000 1.047 375 K CA 1.283 57.503 56.287 -0.113 0.000 0.937 375 K CB -0.121 32.200 32.500 -0.297 0.000 0.721 375 K HN 0.088 nan 8.250 nan 0.000 0.440 376 I N 2.076 122.603 120.570 -0.072 0.000 2.143 376 I HA -0.337 3.833 4.170 0.000 0.000 0.245 376 I C 2.390 178.495 176.117 -0.021 0.000 1.068 376 I CA 1.550 62.839 61.300 -0.018 0.000 1.326 376 I CB -1.099 36.962 38.000 0.102 0.000 1.028 376 I HN 0.336 nan 8.210 nan 0.000 0.412 377 L N 0.254 121.475 121.223 -0.003 0.000 2.187 377 L HA -0.234 4.106 4.340 0.000 0.000 0.213 377 L C 2.259 179.113 176.870 -0.026 0.000 1.100 377 L CA 1.089 55.924 54.840 -0.009 0.000 0.765 377 L CB -0.618 41.445 42.059 0.006 0.000 0.904 377 L HN 0.369 nan 8.230 nan 0.000 0.437 378 N N -0.197 118.481 118.700 -0.037 0.000 2.171 378 N HA -0.144 4.596 4.740 0.000 0.000 0.184 378 N C 1.375 176.854 175.510 -0.052 0.000 1.021 378 N CA 1.196 54.221 53.050 -0.043 0.000 0.854 378 N CB -0.177 38.280 38.487 -0.049 0.000 0.994 378 N HN 0.323 nan 8.380 nan 0.000 0.426 379 D N 0.853 121.214 120.400 -0.065 0.000 2.117 379 D HA -0.078 4.562 4.640 0.000 0.000 0.197 379 D C 2.109 178.370 176.300 -0.065 0.000 0.987 379 D CA 0.561 54.523 54.000 -0.063 0.000 0.829 379 D CB -0.253 40.509 40.800 -0.063 0.000 0.961 379 D HN 0.010 nan 8.370 nan 0.000 0.460 380 V N 0.741 120.615 119.914 -0.067 0.000 2.343 380 V HA -0.214 3.906 4.120 0.000 0.000 0.247 380 V C 2.618 178.670 176.094 -0.071 0.000 1.051 380 V CA 1.827 64.076 62.300 -0.085 0.000 1.036 380 V CB -0.551 31.229 31.823 -0.071 0.000 0.654 380 V HN 0.192 nan 8.190 nan 0.000 0.451 381 S N -1.107 114.563 115.700 -0.050 0.000 2.368 381 S HA -0.289 4.181 4.470 0.000 0.000 0.225 381 S C 2.092 176.671 174.600 -0.037 0.000 1.030 381 S CA 2.105 60.282 58.200 -0.038 0.000 0.999 381 S CB -0.214 62.970 63.200 -0.027 0.000 0.844 381 S HN 0.677 nan 8.310 nan 0.000 0.459 382 Q N 0.045 119.821 119.800 -0.040 0.000 2.079 382 Q HA -0.025 4.315 4.340 0.000 0.000 0.200 382 Q C 2.280 178.258 176.000 -0.037 0.000 0.974 382 Q CA 1.279 57.062 55.803 -0.035 0.000 0.840 382 Q CB -0.455 28.262 28.738 -0.036 0.000 0.898 382 Q HN 0.667 nan 8.270 nan 0.000 0.430 383 A N 1.318 124.103 122.820 -0.058 0.000 1.892 383 A HA -0.262 4.059 4.320 0.000 0.000 0.218 383 A C 1.965 179.519 177.584 -0.049 0.000 1.188 383 A CA 1.909 53.901 52.037 -0.076 0.000 0.631 383 A CB -0.483 18.429 19.000 -0.148 0.000 0.822 383 A HN 0.334 nan 8.150 nan 0.000 0.447 384 K N -0.479 119.886 120.400 -0.058 0.000 2.032 384 K HA -0.120 4.200 4.320 0.000 0.000 0.209 384 K C 2.370 178.982 176.600 0.021 0.000 1.048 384 K CA 1.268 57.534 56.287 -0.034 0.000 0.927 384 K CB -0.401 32.075 32.500 -0.039 0.000 0.712 384 K HN 0.456 nan 8.250 nan 0.000 0.441 385 A N 1.921 124.744 122.820 0.006 0.000 1.883 385 A HA -0.279 4.041 4.320 0.000 0.000 0.217 385 A C 2.206 179.804 177.584 0.022 0.000 1.186 385 A CA 2.092 54.137 52.037 0.013 0.000 0.624 385 A CB -0.630 18.369 19.000 -0.002 0.000 0.822 385 A HN 0.472 nan 8.150 nan 0.000 0.444 386 Q N -1.075 118.735 119.800 0.018 0.000 2.079 386 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 386 Q C 1.973 177.993 176.000 0.033 0.000 0.974 386 Q CA 1.925 57.735 55.803 0.011 0.000 0.840 386 Q CB -0.822 27.914 28.738 -0.003 0.000 0.898 386 Q HN 0.784 nan 8.270 nan 0.000 0.430 387 H N 0.828 119.880 119.070 -0.030 0.000 2.326 387 H HA 0.001 4.557 4.556 0.000 0.000 0.301 387 H C 1.863 177.199 175.328 0.013 0.000 1.081 387 H CA 1.723 57.762 56.048 -0.015 0.000 1.334 387 H CB -0.047 29.690 29.762 -0.041 0.000 1.385 387 H HN 0.350 nan 8.280 nan 0.000 0.504 388 L N 0.581 121.921 121.223 0.194 0.000 2.046 388 L HA -0.158 4.182 4.340 0.000 0.000 0.208 388 L C 2.958 179.858 176.870 0.050 0.000 1.077 388 L CA 1.427 56.350 54.840 0.138 0.000 0.747 388 L CB -0.321 41.805 42.059 0.113 0.000 0.896 388 L HN 0.220 nan 8.230 nan 0.000 0.432 389 K N 0.252 120.669 120.400 0.029 0.000 2.002 389 K HA -0.186 4.135 4.320 0.000 0.000 0.209 389 K C 2.156 178.758 176.600 0.004 0.000 1.048 389 K CA 1.394 57.688 56.287 0.013 0.000 0.930 389 K CB -0.121 32.378 32.500 -0.001 0.000 0.714 389 K HN 0.246 nan 8.250 nan 0.000 0.438 390 A N 1.027 123.831 122.820 -0.027 0.000 1.902 390 A HA -0.111 4.209 4.320 0.000 0.000 0.217 390 A C 2.313 179.934 177.584 0.061 0.000 1.181 390 A CA 1.935 53.952 52.037 -0.033 0.000 0.623 390 A CB -0.832 18.119 19.000 -0.082 0.000 0.818 390 A HN 0.501 nan 8.150 nan 0.000 0.443 391 A N 0.328 123.139 122.820 -0.016 0.000 1.972 391 A HA -0.061 4.259 4.320 0.000 0.000 0.219 391 A C 2.406 180.052 177.584 0.104 0.000 1.169 391 A CA 2.087 54.141 52.037 0.028 0.000 0.635 391 A CB -0.908 18.033 19.000 -0.098 0.000 0.810 391 A HN 1.038 nan 8.150 nan 0.000 0.446 392 S N -0.381 115.371 115.700 0.087 0.000 2.474 392 S HA -0.155 4.315 4.470 0.000 0.000 0.235 392 S C 1.306 175.981 174.600 0.125 0.000 0.997 392 S CA 1.423 59.676 58.200 0.087 0.000 0.949 392 S CB -0.360 62.877 63.200 0.062 0.000 0.766 392 S HN 0.527 nan 8.310 nan 0.000 0.517 393 D N 0.222 120.742 120.400 0.200 0.000 2.349 393 D HA 0.152 4.793 4.640 0.000 0.000 0.224 393 D C 0.173 176.725 176.300 0.420 0.000 1.029 393 D CA -0.141 54.033 54.000 0.291 0.000 0.879 393 D CB -0.142 40.822 40.800 0.274 0.000 0.906 393 D HN 0.363 nan 8.370 nan 0.000 0.528 394 L N 1.266 122.648 121.223 0.266 0.000 2.326 394 L HA 0.372 4.712 4.340 0.000 0.000 0.278 394 L C -0.586 176.257 176.870 -0.045 0.000 1.092 394 L CA 0.008 54.825 54.840 -0.038 0.000 0.810 394 L CB 1.338 43.316 42.059 -0.135 0.000 1.153 394 L HN -0.067 nan 8.230 nan 0.000 0.439 395 Q N 4.787 124.515 119.800 -0.120 0.000 2.330 395 Q HA 0.551 4.891 4.340 0.000 0.000 0.269 395 Q C -1.694 174.255 176.000 -0.084 0.000 1.022 395 Q CA -0.692 55.075 55.803 -0.060 0.000 0.796 395 Q CB 1.482 30.206 28.738 -0.023 0.000 1.271 395 Q HN 0.595 nan 8.270 nan 0.000 0.450 396 I N 2.573 123.113 120.570 -0.050 0.000 2.465 396 I HA 0.649 4.819 4.170 0.000 0.000 0.291 396 I C -0.761 175.322 176.117 -0.056 0.000 1.014 396 I CA -0.691 60.570 61.300 -0.065 0.000 1.093 396 I CB 1.526 39.507 38.000 -0.032 0.000 1.267 396 I HN 0.749 nan 8.210 nan 0.000 0.431 397 A N 5.157 127.924 122.820 -0.088 0.000 2.332 397 A HA 0.875 5.195 4.320 0.000 0.000 0.300 397 A C -0.579 176.930 177.584 -0.125 0.000 1.153 397 A CA -0.491 51.492 52.037 -0.091 0.000 0.764 397 A CB 1.258 20.213 19.000 -0.076 0.000 1.174 397 A HN 0.817 nan 8.150 nan 0.000 0.467 398 A N 2.022 124.769 122.820 -0.121 0.000 2.356 398 A HA 0.917 5.237 4.320 0.000 0.000 0.310 398 A C -0.149 177.370 177.584 -0.108 0.000 1.075 398 A CA -0.388 51.597 52.037 -0.086 0.000 0.746 398 A CB 1.290 20.297 19.000 0.011 0.000 1.221 398 A HN 1.102 nan 8.150 nan 0.000 0.443 399 S N -0.245 115.533 115.700 0.129 0.000 2.625 399 S HA 0.756 5.226 4.470 0.000 0.000 0.271 399 S C -0.819 174.105 174.600 0.539 0.000 1.161 399 S CA -0.580 57.786 58.200 0.276 0.000 0.820 399 S CB 2.036 65.370 63.200 0.223 0.000 1.137 399 S HN 0.757 nan 8.310 nan 0.000 0.470 400 T N 1.954 116.828 114.554 0.533 0.000 2.812 400 T HA 0.563 4.913 4.350 0.000 0.000 0.282 400 T C -1.408 173.492 174.700 0.333 0.000 0.990 400 T CA -0.284 62.071 62.100 0.426 0.000 0.960 400 T CB 0.627 69.685 68.868 0.317 0.000 0.948 400 T HN 0.418 nan 8.240 nan 0.000 0.438 401 F N 4.080 124.025 119.950 -0.008 0.000 2.404 401 F HA 0.585 5.112 4.527 0.000 0.000 0.354 401 F C 0.620 176.300 175.800 -0.200 0.000 1.122 401 F CA -0.308 57.521 58.000 -0.284 0.000 1.080 401 F CB 0.882 39.580 39.000 -0.503 0.000 1.131 401 F HN 0.672 nan 8.300 nan 0.000 0.471 415 H N 3.881 123.088 119.070 0.228 0.000 3.094 415 H HA 0.001 4.557 4.556 0.000 0.000 0.320 415 H C -1.632 173.861 175.328 0.276 0.000 1.000 415 H CA 0.146 56.331 56.048 0.229 0.000 1.413 415 H CB 1.160 31.060 29.762 0.229 0.000 1.405 415 H HN 0.240 nan 8.280 nan 0.000 0.586 416 P HA -0.171 nan 4.420 nan 0.000 0.215 416 P C 0.980 178.347 177.300 0.112 0.000 1.153 416 P CA 1.750 64.902 63.100 0.086 0.000 0.853 416 P CB 0.252 32.018 31.700 0.109 0.000 0.788 417 D N -1.533 119.082 120.400 0.357 0.000 2.097 417 D HA -0.129 4.511 4.640 0.000 0.000 0.197 417 D C 1.681 178.028 176.300 0.079 0.000 0.984 417 D CA 1.576 55.757 54.000 0.302 0.000 0.826 417 D CB -0.607 40.473 40.800 0.466 0.000 0.973 417 D HN -0.003 nan 8.370 nan 0.000 0.460 418 T N -0.463 114.162 114.554 0.120 0.000 2.788 418 T HA -0.148 4.202 4.350 0.000 0.000 0.268 418 T C 1.594 176.011 174.700 -0.470 0.000 1.044 418 T CA 0.988 62.895 62.100 -0.321 0.000 1.139 418 T CB -0.588 68.207 68.868 -0.121 0.000 0.867 418 T HN 0.221 nan 8.240 nan 0.000 0.454 419 F N 1.551 121.383 119.950 -0.198 0.000 2.095 419 F HA -0.061 4.466 4.527 0.000 0.000 0.298 419 F C 1.959 177.645 175.800 -0.191 0.000 1.104 419 F CA 1.131 59.078 58.000 -0.088 0.000 1.232 419 F CB -0.339 38.759 39.000 0.163 0.000 0.987 419 F HN 0.092 nan 8.300 nan 0.000 0.475 420 I N -0.253 120.224 120.570 -0.155 0.000 2.315 420 I HA -0.255 3.915 4.170 0.000 0.000 0.248 420 I C 2.370 178.259 176.117 -0.380 0.000 1.117 420 I CA 0.768 61.903 61.300 -0.276 0.000 1.404 420 I CB -0.574 37.028 38.000 -0.664 0.000 1.071 420 I HN 0.201 nan 8.210 nan 0.000 0.419 421 Q N 0.643 120.202 119.800 -0.402 0.000 2.084 421 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 421 Q C 2.396 178.182 176.000 -0.358 0.000 0.978 421 Q CA 1.558 57.139 55.803 -0.369 0.000 0.844 421 Q CB -0.330 28.130 28.738 -0.463 0.000 0.898 421 Q HN 0.539 nan 8.270 nan 0.000 0.426 422 L N -0.147 120.797 121.223 -0.465 0.000 2.109 422 L HA -0.105 4.235 4.340 0.000 0.000 0.207 422 L C 2.422 179.230 176.870 -0.103 0.000 1.086 422 L CA 0.882 55.526 54.840 -0.327 0.000 0.760 422 L CB -0.579 41.057 42.059 -0.704 0.000 0.910 422 L HN 0.097 nan 8.230 nan 0.000 0.437 423 A N -0.006 122.656 122.820 -0.264 0.000 1.933 423 A HA -0.213 4.107 4.320 0.000 0.000 0.218 423 A C 2.197 179.608 177.584 -0.289 0.000 1.175 423 A CA 1.522 53.420 52.037 -0.231 0.000 0.628 423 A CB -0.553 18.264 19.000 -0.304 0.000 0.814 423 A HN 0.325 nan 8.150 nan 0.000 0.444 424 L N -0.739 120.268 121.223 -0.361 0.000 2.109 424 L HA -0.128 4.212 4.340 0.000 0.000 0.207 424 L C 2.380 179.130 176.870 -0.199 0.000 1.086 424 L CA 1.850 56.430 54.840 -0.433 0.000 0.760 424 L CB -0.589 41.114 42.059 -0.594 0.000 0.910 424 L HN 0.326 nan 8.230 nan 0.000 0.437 425 Q N -0.630 119.105 119.800 -0.109 0.000 2.061 425 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 425 Q C 2.289 178.311 176.000 0.036 0.000 0.984 425 Q CA 1.929 57.735 55.803 0.005 0.000 0.846 425 Q CB -0.774 27.988 28.738 0.039 0.000 0.902 425 Q HN 0.465 nan 8.270 nan 0.000 0.421 426 L N 0.644 121.844 121.223 -0.038 0.000 2.046 426 L HA -0.094 4.246 4.340 0.000 0.000 0.208 426 L C 2.154 178.992 176.870 -0.054 0.000 1.077 426 L CA 2.070 56.817 54.840 -0.154 0.000 0.747 426 L CB -0.909 40.964 42.059 -0.311 0.000 0.896 426 L HN 0.145 nan 8.230 nan 0.000 0.432 427 A N -1.372 121.390 122.820 -0.097 0.000 1.883 427 A HA -0.308 4.012 4.320 0.000 0.000 0.217 427 A C 2.322 179.868 177.584 -0.062 0.000 1.186 427 A CA 1.984 53.947 52.037 -0.124 0.000 0.624 427 A CB -1.247 17.608 19.000 -0.241 0.000 0.822 427 A HN 0.611 nan 8.150 nan 0.000 0.444 428 Y N -1.492 118.752 120.300 -0.094 0.000 2.200 428 Y HA -0.240 4.310 4.550 0.000 0.000 0.290 428 Y C 2.236 178.196 175.900 0.101 0.000 1.137 428 Y CA 1.923 60.039 58.100 0.026 0.000 1.163 428 Y CB -0.637 37.854 38.460 0.051 0.000 0.988 428 Y HN 0.433 nan 8.280 nan 0.000 0.518 429 Y N 0.814 121.213 120.300 0.165 0.000 2.165 429 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 429 Y C 2.479 178.344 175.900 -0.058 0.000 1.155 429 Y CA 2.102 60.248 58.100 0.077 0.000 1.164 429 Y CB -0.263 38.197 38.460 -0.001 0.000 0.978 429 Y HN 0.026 nan 8.280 nan 0.000 0.513 430 R N -0.879 119.643 120.500 0.038 0.000 2.090 430 R HA -0.108 4.232 4.340 0.000 0.000 0.228 430 R C 2.073 178.256 176.300 -0.195 0.000 1.110 430 R CA 1.329 57.384 56.100 -0.075 0.000 0.973 430 R CB -0.437 29.834 30.300 -0.048 0.000 0.869 430 R HN 0.336 nan 8.270 nan 0.000 0.440 431 L N -0.144 120.911 121.223 -0.280 0.000 2.131 431 L HA -0.083 4.257 4.340 0.000 0.000 0.206 431 L C 1.417 177.895 176.870 -0.653 0.000 1.087 431 L CA 1.839 56.400 54.840 -0.467 0.000 0.767 431 L CB -0.086 41.623 42.059 -0.582 0.000 0.917 431 L HN 0.215 nan 8.230 nan 0.000 0.441 432 H N -1.263 117.567 119.070 -0.400 0.000 2.755 432 H HA 0.360 4.916 4.556 0.000 0.000 0.273 432 H C 1.413 176.584 175.328 -0.263 0.000 1.055 432 H CA 0.513 56.344 56.048 -0.363 0.000 1.191 432 H CB 0.333 29.724 29.762 -0.619 0.000 1.536 432 H HN 0.369 nan 8.280 nan 0.000 0.529 433 G N 2.382 111.030 108.800 -0.253 0.000 2.187 433 G HA2 -0.329 3.631 3.960 0.000 0.000 0.261 433 G HA3 -0.329 3.631 3.960 0.000 0.000 0.261 433 G C 0.382 175.054 174.900 -0.380 0.000 1.000 433 G CA 0.806 45.690 45.100 -0.360 0.000 0.718 433 G HN 0.608 nan 8.290 nan 0.000 0.519 434 R N -1.658 118.723 120.500 -0.198 0.000 2.680 434 R HA 0.624 4.964 4.340 0.000 0.000 0.269 434 R C -3.463 173.025 176.300 0.314 0.000 1.026 434 R CA -2.203 53.903 56.100 0.011 0.000 0.889 434 R CB 1.079 31.455 30.300 0.126 0.000 1.241 434 R HN -0.003 nan 8.270 nan 0.000 0.463 435 P HA 0.095 nan 4.420 nan 0.000 0.267 435 P C -0.356 177.126 177.300 0.304 0.000 1.205 435 P CA 0.170 63.487 63.100 0.362 0.000 0.765 435 P CB 0.822 32.609 31.700 0.146 0.000 0.828 436 G N 2.820 111.643 108.800 0.038 0.000 2.329 436 G HA2 0.376 4.336 3.960 0.000 0.000 0.309 436 G HA3 0.376 4.336 3.960 0.000 0.000 0.309 436 G C 0.052 174.915 174.900 -0.062 0.000 1.110 436 G CA -0.473 44.337 45.100 -0.484 0.000 0.923 436 G HN 0.752 nan 8.290 nan 0.000 0.430 437 C N 1.632 120.988 119.300 0.092 0.000 2.638 437 C HA 0.515 4.975 4.460 0.000 0.000 0.410 437 C C 0.962 176.122 174.990 0.285 0.000 1.404 437 C CA -1.760 57.386 59.018 0.215 0.000 1.651 437 C CB -1.161 26.464 27.740 -0.191 0.000 2.495 437 C HN 0.711 nan 8.230 nan 0.000 0.606 438 C N 5.857 125.362 119.300 0.342 0.000 2.417 438 C HA 0.715 5.175 4.460 0.000 0.000 0.324 438 C C -0.745 174.238 174.990 -0.012 0.000 1.240 438 C CA -0.486 58.656 59.018 0.207 0.000 1.632 438 C CB 0.862 28.645 27.740 0.072 0.000 2.241 438 C HN 0.965 nan 8.230 nan 0.000 0.499 439 Y N 4.107 124.149 120.300 -0.431 0.000 2.331 439 Y HA 0.580 5.130 4.550 0.000 0.000 0.338 439 Y C -0.112 175.607 175.900 -0.302 0.000 0.976 439 Y CA -0.233 57.387 58.100 -0.800 0.000 1.137 439 Y CB 0.698 38.514 38.460 -1.074 0.000 1.172 439 Y HN 0.789 nan 8.280 nan 0.000 0.478 440 E N 4.215 124.300 120.200 -0.192 0.000 2.199 440 E HA 0.302 4.652 4.350 0.000 0.000 0.265 440 E C -0.962 175.613 176.600 -0.042 0.000 0.882 440 E CA -0.700 55.721 56.400 0.034 0.000 0.759 440 E CB 1.392 31.128 29.700 0.060 0.000 1.148 440 E HN 0.711 nan 8.360 nan 0.000 0.412 441 T N 2.054 116.729 114.554 0.202 0.000 2.930 441 T HA 0.431 4.781 4.350 0.000 0.000 0.306 441 T C -0.133 174.601 174.700 0.056 0.000 1.045 441 T CA 0.000 62.217 62.100 0.194 0.000 1.134 441 T CB 1.082 70.110 68.868 0.266 0.000 0.961 441 T HN 0.532 nan 8.240 nan 0.000 0.545 445 R N -0.234 120.192 120.500 -0.124 0.000 2.357 445 R HA 0.131 4.471 4.340 0.000 0.000 0.202 445 R C 0.761 176.920 176.300 -0.235 0.000 1.047 445 R CA 0.706 56.723 56.100 -0.138 0.000 1.034 445 R CB -0.460 29.757 30.300 -0.140 0.000 0.875 445 R HN 0.465 nan 8.270 nan 0.000 0.473 446 Y N -0.561 119.561 120.300 -0.297 0.000 2.421 446 Y HA -0.087 4.463 4.550 0.000 0.000 0.292 446 Y C 0.485 176.016 175.900 -0.614 0.000 1.136 446 Y CA 0.657 58.413 58.100 -0.573 0.000 1.255 446 Y CB -0.009 37.847 38.460 -1.006 0.000 0.991 446 Y HN -0.135 nan 8.280 nan 0.000 0.552 447 F N -2.456 117.587 119.950 0.155 0.000 2.450 447 F HA 0.266 4.793 4.527 0.000 0.000 0.328 447 F C -0.027 175.869 175.800 0.161 0.000 1.068 447 F CA -2.300 55.790 58.000 0.149 0.000 1.007 447 F CB 0.012 39.086 39.000 0.122 0.000 1.251 447 F HN -0.257 nan 8.300 nan 0.000 0.492 448 Y N 2.077 122.531 120.300 0.256 0.000 2.802 448 Y HA -0.053 4.497 4.550 0.000 0.000 0.333 448 Y C 1.130 177.149 175.900 0.198 0.000 1.244 448 Y CA 0.398 58.591 58.100 0.154 0.000 1.558 448 Y CB -0.620 37.857 38.460 0.028 0.000 1.233 448 Y HN 0.670 nan 8.280 nan 0.000 0.547 449 H N 1.673 120.505 119.070 -0.396 0.000 2.822 449 H HA -0.214 4.342 4.556 0.000 0.000 0.295 449 H C 0.833 176.112 175.328 -0.082 0.000 1.151 449 H CA -0.122 55.744 56.048 -0.304 0.000 1.151 449 H CB -1.159 28.345 29.762 -0.430 0.000 1.343 449 H HN 0.935 nan 8.280 nan 0.000 0.382 450 G N 0.346 109.216 108.800 0.117 0.000 2.365 450 G HA2 0.211 4.171 3.960 0.000 0.000 0.249 450 G HA3 0.211 4.171 3.960 0.000 0.000 0.249 450 G C 0.655 175.577 174.900 0.036 0.000 1.288 450 G CA -0.263 44.897 45.100 0.101 0.000 0.887 450 G HN 0.338 nan 8.290 nan 0.000 0.524 451 R N 0.543 121.036 120.500 -0.012 0.000 1.904 451 R HA 0.341 4.681 4.340 0.000 0.000 0.178 451 R C 0.918 177.201 176.300 -0.028 0.000 1.718 451 R CA 0.904 57.004 56.100 0.001 0.000 1.331 451 R CB 0.080 30.413 30.300 0.055 0.000 1.089 451 R HN 0.661 nan 8.270 nan 0.000 0.479 452 T N -1.116 113.357 114.554 -0.135 0.000 2.841 452 T HA 0.554 4.904 4.350 0.000 0.000 0.296 452 T C -1.241 173.315 174.700 -0.240 0.000 1.166 452 T CA -0.874 61.158 62.100 -0.113 0.000 1.007 452 T CB 2.656 71.541 68.868 0.028 0.000 1.253 452 T HN 0.087 nan 8.240 nan 0.000 0.511 453 E N -0.374 119.737 120.200 -0.149 0.000 2.408 453 E HA 0.589 4.939 4.350 0.000 0.000 0.275 453 E C -1.303 175.147 176.600 -0.250 0.000 0.935 453 E CA -0.533 55.753 56.400 -0.190 0.000 0.775 453 E CB 2.240 31.880 29.700 -0.101 0.000 1.277 453 E HN 0.756 nan 8.360 nan 0.000 0.455 454 T N 1.545 115.874 114.554 -0.374 0.000 2.806 454 T HA 0.486 4.836 4.350 0.000 0.000 0.290 454 T C -0.707 173.682 174.700 -0.518 0.000 0.966 454 T CA -0.491 61.193 62.100 -0.694 0.000 1.060 454 T CB 0.827 69.239 68.868 -0.759 0.000 0.927 454 T HN 0.254 nan 8.240 nan 0.000 0.485 455 V N 4.980 124.583 119.914 -0.518 0.000 2.384 455 V HA 0.366 4.486 4.120 0.000 0.000 0.287 455 V C 0.299 176.213 176.094 -0.300 0.000 1.020 455 V CA -0.869 61.235 62.300 -0.325 0.000 0.850 455 V CB 1.315 32.992 31.823 -0.243 0.000 0.987 455 V HN 0.744 nan 8.190 nan 0.000 0.436 456 R N 3.295 123.694 120.500 -0.168 0.000 2.408 456 R HA 0.256 4.596 4.340 0.000 0.000 0.308 456 R C 1.020 177.347 176.300 0.045 0.000 1.210 456 R CA -0.246 55.847 56.100 -0.011 0.000 1.115 456 R CB 0.662 31.055 30.300 0.154 0.000 1.127 456 R HN 0.736 nan 8.270 nan 0.000 0.523 457 S N 0.701 116.439 115.700 0.064 0.000 2.419 457 S HA -0.147 4.323 4.470 0.000 0.000 0.233 457 S C 1.157 175.835 174.600 0.130 0.000 1.016 457 S CA 0.650 58.940 58.200 0.149 0.000 0.974 457 S CB 0.042 63.332 63.200 0.150 0.000 0.786 457 S HN 0.649 nan 8.310 nan 0.000 0.492 458 C N 4.993 124.384 119.300 0.151 0.000 2.518 458 C HA 0.379 4.839 4.460 0.000 0.000 0.456 458 C C 1.230 176.273 174.990 0.088 0.000 1.016 458 C CA -0.773 58.328 59.018 0.139 0.000 1.210 458 C CB -2.517 25.383 27.740 0.267 0.000 1.542 458 C HN 0.570 nan 8.230 nan 0.000 0.545 459 T N 0.382 114.967 114.554 0.051 0.000 2.881 459 T HA 0.341 4.691 4.350 0.000 0.000 0.278 459 T C 1.289 175.968 174.700 -0.035 0.000 0.982 459 T CA -0.614 61.497 62.100 0.019 0.000 0.989 459 T CB 1.218 70.106 68.868 0.033 0.000 1.058 459 T HN 0.169 nan 8.240 nan 0.000 0.529 460 V N 1.284 121.167 119.914 -0.050 0.000 2.343 460 V HA -0.131 3.989 4.120 0.000 0.000 0.247 460 V C 2.750 178.822 176.094 -0.037 0.000 1.051 460 V CA 2.104 64.359 62.300 -0.074 0.000 1.036 460 V CB -1.138 30.638 31.823 -0.078 0.000 0.654 460 V HN 0.885 nan 8.190 nan 0.000 0.451 461 E N 0.743 120.939 120.200 -0.008 0.000 2.058 461 E HA -0.193 4.157 4.350 0.000 0.000 0.194 461 E C 2.276 178.915 176.600 0.065 0.000 0.997 461 E CA 1.631 58.045 56.400 0.023 0.000 0.801 461 E CB -0.697 29.015 29.700 0.021 0.000 0.746 461 E HN 0.581 nan 8.360 nan 0.000 0.450 462 A N 0.471 123.326 122.820 0.058 0.000 1.908 462 A HA -0.177 4.143 4.320 0.000 0.000 0.218 462 A C 2.493 180.127 177.584 0.082 0.000 1.181 462 A CA 1.631 53.743 52.037 0.126 0.000 0.627 462 A CB -0.760 18.286 19.000 0.076 0.000 0.818 462 A HN 0.155 nan 8.150 nan 0.000 0.445 463 V N -0.042 119.849 119.914 -0.038 0.000 2.358 463 V HA -0.250 3.870 4.120 0.000 0.000 0.246 463 V C 2.594 178.583 176.094 -0.176 0.000 1.047 463 V CA 2.136 64.342 62.300 -0.157 0.000 1.035 463 V CB -0.868 30.874 31.823 -0.136 0.000 0.658 463 V HN 0.518 nan 8.190 nan 0.000 0.452 464 R N -1.131 119.327 120.500 -0.070 0.000 2.105 464 R HA -0.237 4.103 4.340 0.000 0.000 0.239 464 R C 2.141 178.425 176.300 -0.027 0.000 1.135 464 R CA 2.109 58.180 56.100 -0.048 0.000 0.967 464 R CB -0.481 29.817 30.300 -0.004 0.000 0.861 464 R HN 0.694 nan 8.270 nan 0.000 0.442 465 W N 1.024 122.242 121.300 -0.137 0.000 2.355 465 W HA -0.201 4.459 4.660 0.000 0.000 0.309 465 W C 1.951 178.360 176.519 -0.183 0.000 1.206 465 W CA 0.550 57.823 57.345 -0.121 0.000 1.284 465 W CB -0.718 28.687 29.460 -0.092 0.000 1.145 465 W HN -0.012 nan 8.180 nan 0.000 0.502 466 C N 0.827 119.736 119.300 -0.652 0.000 2.413 466 C HA -0.247 4.213 4.460 0.000 0.000 0.276 466 C C 2.681 177.190 174.990 -0.802 0.000 1.236 466 C CA 1.766 60.161 59.018 -1.038 0.000 1.735 466 C CB -1.277 25.736 27.740 -1.211 0.000 2.031 466 C HN 0.473 nan 8.230 nan 0.000 0.474 467 Q N 1.038 120.492 119.800 -0.576 0.000 2.061 467 Q HA -0.118 4.222 4.340 0.000 0.000 0.204 467 Q C 1.561 177.448 176.000 -0.189 0.000 0.984 467 Q CA 1.575 57.221 55.803 -0.262 0.000 0.846 467 Q CB -0.370 28.291 28.738 -0.128 0.000 0.902 467 Q HN 0.834 nan 8.270 nan 0.000 0.421 471 D N 2.301 122.671 120.400 -0.049 0.000 2.428 471 D HA 0.283 4.923 4.640 0.000 0.000 0.221 471 D C -1.673 174.613 176.300 -0.024 0.000 1.123 471 D CA -1.813 52.169 54.000 -0.030 0.000 0.869 471 D CB 1.722 42.502 40.800 -0.032 0.000 1.032 471 D HN -0.169 nan 8.370 nan 0.000 0.506 472 P HA -0.166 nan 4.420 nan 0.000 0.216 472 P C 1.130 178.425 177.300 -0.009 0.000 1.150 472 P CA 1.203 64.295 63.100 -0.013 0.000 0.843 472 P CB 0.168 31.861 31.700 -0.012 0.000 0.787 473 S N -1.832 113.863 115.700 -0.008 0.000 2.562 473 S HA 0.229 4.699 4.470 0.000 0.000 0.221 473 S C 1.033 175.631 174.600 -0.003 0.000 0.975 473 S CA -0.086 58.111 58.200 -0.005 0.000 0.918 473 S CB -0.842 62.355 63.200 -0.005 0.000 0.772 473 S HN 0.104 nan 8.310 nan 0.000 0.531 474 A N 2.477 125.293 122.820 -0.006 0.000 2.440 474 A HA 0.568 4.889 4.320 0.000 0.000 0.251 474 A C 0.726 178.313 177.584 0.006 0.000 1.089 474 A CA -0.179 51.857 52.037 -0.001 0.000 0.779 474 A CB 0.134 19.128 19.000 -0.009 0.000 1.022 474 A HN 0.681 nan 8.150 nan 0.000 0.492 475 S N 2.125 117.833 115.700 0.013 0.000 2.652 475 S HA 0.451 4.921 4.470 0.000 0.000 0.270 475 S C 1.010 175.627 174.600 0.028 0.000 1.243 475 S CA -0.632 57.578 58.200 0.018 0.000 0.999 475 S CB 0.540 63.750 63.200 0.016 0.000 0.973 475 S HN 0.543 nan 8.310 nan 0.000 0.544 476 L N 0.328 121.569 121.223 0.030 0.000 2.093 476 L HA -0.047 4.293 4.340 0.000 0.000 0.208 476 L C 2.493 179.392 176.870 0.048 0.000 1.085 476 L CA 0.824 55.690 54.840 0.042 0.000 0.755 476 L CB -0.708 41.373 42.059 0.037 0.000 0.904 476 L HN 0.665 nan 8.230 nan 0.000 0.435 477 L N 0.116 121.360 121.223 0.035 0.000 2.083 477 L HA -0.214 4.126 4.340 0.000 0.000 0.209 477 L C 2.458 179.352 176.870 0.041 0.000 1.083 477 L CA 1.745 56.604 54.840 0.032 0.000 0.752 477 L CB -0.526 41.545 42.059 0.020 0.000 0.899 477 L HN 0.273 nan 8.230 nan 0.000 0.433 478 E N -0.614 119.612 120.200 0.044 0.000 2.047 478 E HA -0.232 4.118 4.350 0.000 0.000 0.191 478 E C 2.320 178.974 176.600 0.090 0.000 0.987 478 E CA 0.971 57.402 56.400 0.052 0.000 0.799 478 E CB -0.028 29.694 29.700 0.038 0.000 0.752 478 E HN 0.494 nan 8.360 nan 0.000 0.449 479 R N 0.329 120.892 120.500 0.105 0.000 2.083 479 R HA -0.185 4.155 4.340 0.000 0.000 0.237 479 R C 2.639 179.085 176.300 0.243 0.000 1.137 479 R CA 1.905 58.118 56.100 0.189 0.000 0.951 479 R CB -0.362 30.028 30.300 0.150 0.000 0.851 479 R HN 0.297 nan 8.270 nan 0.000 0.434 480 Q N 0.392 120.278 119.800 0.144 0.000 2.079 480 Q HA -0.234 4.106 4.340 0.000 0.000 0.200 480 Q C 2.160 178.189 176.000 0.048 0.000 0.974 480 Q CA 1.493 57.351 55.803 0.091 0.000 0.840 480 Q CB 0.126 28.898 28.738 0.056 0.000 0.898 480 Q HN 0.135 nan 8.270 nan 0.000 0.430 481 Q N 0.975 120.807 119.800 0.053 0.000 2.061 481 Q HA -0.087 4.253 4.340 0.000 0.000 0.204 481 Q C 0.113 176.139 176.000 0.042 0.000 0.984 481 Q CA 1.466 57.289 55.803 0.033 0.000 0.846 481 Q CB 0.077 28.835 28.738 0.033 0.000 0.902 481 Q HN 0.150 nan 8.270 nan 0.000 0.421 485 E N 1.552 121.765 120.200 0.022 0.000 2.153 485 E HA -0.121 4.229 4.350 0.000 0.000 0.194 485 E C 2.026 178.645 176.600 0.032 0.000 0.988 485 E CA 1.283 57.702 56.400 0.030 0.000 0.811 485 E CB 0.062 29.777 29.700 0.025 0.000 0.746 485 E HN 0.529 nan 8.360 nan 0.000 0.466 486 A N 0.960 123.775 122.820 -0.007 0.000 1.873 486 A HA -0.158 4.162 4.320 0.000 0.000 0.215 486 A C 1.885 179.441 177.584 -0.046 0.000 1.186 486 A CA 1.025 53.026 52.037 -0.061 0.000 0.616 486 A CB -0.748 18.125 19.000 -0.211 0.000 0.823 486 A HN 0.149 nan 8.150 nan 0.000 0.442 487 F N 0.321 120.187 119.950 -0.140 0.000 2.069 487 F HA -0.190 4.337 4.527 0.000 0.000 0.298 487 F C 2.859 178.663 175.800 0.007 0.000 1.113 487 F CA 1.458 59.416 58.000 -0.069 0.000 1.214 487 F CB -0.545 38.409 39.000 -0.078 0.000 0.978 487 F HN 0.264 nan 8.300 nan 0.000 0.474 488 A N -0.399 122.537 122.820 0.194 0.000 1.908 488 A HA -0.295 4.025 4.320 0.000 0.000 0.218 488 A C 2.109 179.742 177.584 0.081 0.000 1.181 488 A CA 2.184 54.289 52.037 0.114 0.000 0.627 488 A CB -0.731 18.311 19.000 0.070 0.000 0.818 488 A HN 0.290 nan 8.150 nan 0.000 0.445 489 K N -0.726 119.714 120.400 0.066 0.000 2.026 489 K HA -0.187 4.133 4.320 0.000 0.000 0.208 489 K C 2.064 178.686 176.600 0.037 0.000 1.048 489 K CA 1.956 58.267 56.287 0.041 0.000 0.929 489 K CB -0.581 31.938 32.500 0.031 0.000 0.713 489 K HN 0.641 nan 8.250 nan 0.000 0.439 490 H N 0.253 119.303 119.070 -0.034 0.000 2.357 490 H HA -0.013 4.543 4.556 0.000 0.000 0.301 490 H C 1.394 176.705 175.328 -0.029 0.000 1.082 490 H CA 1.512 57.528 56.048 -0.053 0.000 1.342 490 H CB 0.144 29.826 29.762 -0.133 0.000 1.389 490 H HN 0.255 nan 8.280 nan 0.000 0.511 491 N N 1.253 120.044 118.700 0.151 0.000 2.069 491 N HA -0.129 4.611 4.740 0.000 0.000 0.191 491 N C 1.304 176.826 175.510 0.019 0.000 1.031 491 N CA 0.712 53.821 53.050 0.098 0.000 0.852 491 N CB -0.269 38.289 38.487 0.118 0.000 1.018 491 N HN 0.263 nan 8.380 nan 0.000 0.423 496 D N 1.437 121.845 120.400 0.013 0.000 2.104 496 D HA -0.120 4.520 4.640 0.000 0.000 0.194 496 D C 1.717 178.110 176.300 0.155 0.000 0.994 496 D CA 1.590 55.628 54.000 0.063 0.000 0.830 496 D CB -0.353 40.477 40.800 0.049 0.000 0.959 496 D HN 0.290 nan 8.370 nan 0.000 0.452 497 C N 0.674 120.039 119.300 0.108 0.000 2.429 497 C HA -0.125 4.335 4.460 0.000 0.000 0.277 497 C C 2.957 178.052 174.990 0.175 0.000 1.262 497 C CA 1.417 60.493 59.018 0.096 0.000 1.733 497 C CB -1.150 26.588 27.740 -0.003 0.000 2.010 497 C HN 0.451 nan 8.230 nan 0.000 0.483 498 S N -0.136 115.707 115.700 0.238 0.000 2.447 498 S HA -0.156 4.314 4.470 0.000 0.000 0.233 498 S C 1.153 176.027 174.600 0.456 0.000 1.006 498 S CA 1.346 59.736 58.200 0.318 0.000 0.957 498 S CB -0.743 62.668 63.200 0.350 0.000 0.773 498 S HN 0.759 nan 8.310 nan 0.000 0.507 499 H N 1.307 120.551 119.070 0.290 0.000 2.536 499 H HA 0.432 4.989 4.556 0.000 0.000 0.276 499 H C 1.550 177.155 175.328 0.462 0.000 1.019 499 H CA -0.181 56.061 56.048 0.323 0.000 1.159 499 H CB -0.212 29.617 29.762 0.112 0.000 1.373 499 H HN 0.560 nan 8.280 nan 0.000 0.584 500 G N 0.919 109.980 108.800 0.435 0.000 2.147 500 G HA2 -0.347 3.613 3.960 0.000 0.000 0.244 500 G HA3 -0.347 3.613 3.960 0.000 0.000 0.244 500 G C 0.849 175.835 174.900 0.143 0.000 1.005 500 G CA 0.396 45.604 45.100 0.179 0.000 0.713 500 G HN 0.474 nan 8.290 nan 0.000 0.515 501 K N 0.159 120.670 120.400 0.185 0.000 2.440 501 K HA 0.372 4.692 4.320 0.000 0.000 0.206 501 K C 1.633 178.344 176.600 0.184 0.000 1.025 501 K CA 0.099 56.486 56.287 0.167 0.000 1.135 501 K CB 0.907 33.496 32.500 0.148 0.000 0.856 501 K HN 0.385 nan 8.250 nan 0.000 0.502 502 G N 0.480 109.377 108.800 0.161 0.000 2.588 502 G HA2 0.184 4.144 3.960 0.000 0.000 0.278 502 G HA3 0.184 4.144 3.960 0.000 0.000 0.278 502 G C 0.271 175.327 174.900 0.259 0.000 1.307 502 G CA -0.419 44.764 45.100 0.138 0.000 1.016 502 G HN 0.299 nan 8.290 nan 0.000 0.503 503 F N -2.939 117.112 119.950 0.168 0.000 2.789 503 F HA 0.368 4.895 4.527 0.000 0.000 0.320 503 F C 1.332 177.274 175.800 0.236 0.000 1.079 503 F CA 0.053 58.192 58.000 0.231 0.000 1.205 503 F CB 0.189 39.301 39.000 0.187 0.000 1.046 503 F HN 0.355 nan 8.300 nan 0.000 0.586 504 D N 1.396 121.526 120.400 -0.449 0.000 2.092 504 D HA -0.129 4.511 4.640 0.000 0.000 0.193 504 D C 2.096 178.493 176.300 0.161 0.000 0.994 504 D CA 1.715 55.609 54.000 -0.177 0.000 0.828 504 D CB -0.002 40.626 40.800 -0.286 0.000 0.963 504 D HN 0.030 nan 8.370 nan 0.000 0.450 505 R N -0.339 120.251 120.500 0.150 0.000 2.115 505 R HA -0.099 4.241 4.340 0.000 0.000 0.230 505 R C 2.119 178.773 176.300 0.590 0.000 1.111 505 R CA 0.943 57.209 56.100 0.277 0.000 0.976 505 R CB -1.088 29.264 30.300 0.087 0.000 0.870 505 R HN 0.561 nan 8.270 nan 0.000 0.445 506 H N 0.660 119.990 119.070 0.434 0.000 2.290 506 H HA -0.024 4.532 4.556 0.000 0.000 0.298 506 H C 2.049 177.599 175.328 0.370 0.000 1.087 506 H CA 1.394 57.686 56.048 0.408 0.000 1.291 506 H CB 0.116 30.080 29.762 0.336 0.000 1.369 506 H HN 0.045 nan 8.280 nan 0.000 0.492 507 L N 0.225 121.714 121.223 0.444 0.000 2.083 507 L HA -0.171 4.169 4.340 0.000 0.000 0.209 507 L C 2.656 179.803 176.870 0.462 0.000 1.083 507 L CA 0.434 55.512 54.840 0.397 0.000 0.752 507 L CB -0.331 41.966 42.059 0.396 0.000 0.899 507 L HN 0.334 nan 8.230 nan 0.000 0.433 508 L N 0.561 122.036 121.223 0.420 0.000 2.017 508 L HA -0.085 4.255 4.340 0.000 0.000 0.208 508 L C 2.381 179.366 176.870 0.191 0.000 1.073 508 L CA 2.191 57.200 54.840 0.283 0.000 0.745 508 L CB -1.156 41.115 42.059 0.353 0.000 0.894 508 L HN 0.121 nan 8.230 nan 0.000 0.432 509 G N -0.337 108.711 108.800 0.414 0.000 2.440 509 G HA2 -0.249 3.712 3.960 0.000 0.000 0.218 509 G HA3 -0.249 3.712 3.960 0.000 0.000 0.218 509 G C 1.587 176.573 174.900 0.143 0.000 1.154 509 G CA 1.186 46.524 45.100 0.397 0.000 0.767 509 G HN 0.459 nan 8.290 nan 0.000 0.552 510 L N -0.340 121.022 121.223 0.232 0.000 2.017 510 L HA -0.048 4.292 4.340 0.000 0.000 0.208 510 L C 2.716 179.637 176.870 0.086 0.000 1.073 510 L CA 0.788 55.765 54.840 0.228 0.000 0.745 510 L CB -0.596 41.707 42.059 0.407 0.000 0.894 510 L HN 0.249 nan 8.230 nan 0.000 0.432 511 L N 0.049 121.239 121.223 -0.055 0.000 2.042 511 L HA -0.199 4.141 4.340 0.000 0.000 0.210 511 L C 2.285 178.939 176.870 -0.361 0.000 1.076 511 L CA 1.741 56.323 54.840 -0.430 0.000 0.749 511 L CB -0.385 41.092 42.059 -0.971 0.000 0.893 511 L HN 0.121 nan 8.230 nan 0.000 0.432 512 L N -1.142 119.816 121.223 -0.441 0.000 2.291 512 L HA -0.154 4.186 4.340 0.000 0.000 0.214 512 L C 2.418 178.992 176.870 -0.493 0.000 1.120 512 L CA 0.321 54.739 54.840 -0.702 0.000 0.799 512 L CB -0.514 40.651 42.059 -1.490 0.000 0.925 512 L HN 0.294 nan 8.230 nan 0.000 0.446 513 I N 0.354 120.789 120.570 -0.226 0.000 2.252 513 I HA -0.211 3.959 4.170 0.000 0.000 0.245 513 I C 2.810 178.939 176.117 0.019 0.000 1.102 513 I CA 1.437 62.773 61.300 0.059 0.000 1.385 513 I CB -1.072 37.011 38.000 0.138 0.000 1.064 513 I HN 0.175 nan 8.210 nan 0.000 0.414 514 A N 1.049 123.852 122.820 -0.029 0.000 1.845 514 A HA -0.220 4.101 4.320 0.000 0.000 0.215 514 A C 2.371 179.928 177.584 -0.044 0.000 1.195 514 A CA 1.575 53.600 52.037 -0.020 0.000 0.616 514 A CB -0.565 18.422 19.000 -0.022 0.000 0.832 514 A HN 0.300 nan 8.150 nan 0.000 0.443 515 K N -0.665 119.672 120.400 -0.105 0.000 2.044 515 K HA -0.221 4.099 4.320 0.000 0.000 0.210 515 K C 2.069 178.643 176.600 -0.043 0.000 1.049 515 K CA 1.743 57.971 56.287 -0.098 0.000 0.927 515 K CB -0.204 32.199 32.500 -0.162 0.000 0.713 515 K HN 0.654 nan 8.250 nan 0.000 0.443 516 E N 0.785 120.972 120.200 -0.021 0.000 2.267 516 E HA -0.181 4.169 4.350 0.000 0.000 0.197 516 E C 0.831 177.469 176.600 0.064 0.000 0.998 516 E CA 0.984 57.421 56.400 0.063 0.000 0.830 516 E CB 0.248 30.057 29.700 0.183 0.000 0.751 516 E HN 0.308 nan 8.360 nan 0.000 0.491 517 E N -1.380 118.846 120.200 0.043 0.000 2.501 517 E HA 0.120 4.470 4.350 0.000 0.000 0.201 517 E C 0.734 177.346 176.600 0.021 0.000 1.016 517 E CA 0.321 56.745 56.400 0.039 0.000 0.920 517 E CB 1.043 30.768 29.700 0.042 0.000 1.023 517 E HN 0.346 nan 8.360 nan 0.000 0.474 518 G N 1.945 110.750 108.800 0.008 0.000 2.153 518 G HA2 -0.300 3.660 3.960 0.000 0.000 0.252 518 G HA3 -0.300 3.660 3.960 0.000 0.000 0.252 518 G C 0.212 175.111 174.900 -0.003 0.000 0.994 518 G CA 0.199 45.299 45.100 -0.000 0.000 0.698 518 G HN 0.174 nan 8.290 nan 0.000 0.521 519 L N 1.613 122.834 121.223 -0.002 0.000 2.399 519 L HA 0.456 4.796 4.340 0.000 0.000 0.266 519 L C -0.894 175.972 176.870 -0.007 0.000 1.114 519 L CA -2.135 52.706 54.840 0.002 0.000 0.804 519 L CB 0.533 42.599 42.059 0.012 0.000 1.146 519 L HN -0.004 nan 8.230 nan 0.000 0.451 520 P HA -0.002 nan 4.420 nan 0.000 0.268 520 P C -0.609 176.690 177.300 -0.002 0.000 1.208 520 P CA -0.274 62.824 63.100 -0.003 0.000 0.777 520 P CB 0.671 32.376 31.700 0.009 0.000 0.875 521 V N 4.457 124.357 119.914 -0.023 0.000 2.479 521 V HA 0.076 4.196 4.120 0.000 0.000 0.281 521 V C -1.712 174.416 176.094 0.057 0.000 1.031 521 V CA -1.007 61.272 62.300 -0.036 0.000 1.038 521 V CB -0.231 31.540 31.823 -0.087 0.000 0.981 521 V HN 0.594 nan 8.190 nan 0.000 0.478 522 P HA 0.040 nan 4.420 nan 0.000 0.266 522 P C 0.943 178.295 177.300 0.088 0.000 1.195 522 P CA -0.015 63.211 63.100 0.210 0.000 0.768 522 P CB 0.609 32.555 31.700 0.409 0.000 0.838 523 E N 1.822 122.032 120.200 0.016 0.000 2.171 523 E HA -0.229 4.121 4.350 0.000 0.000 0.197 523 E C 1.594 178.087 176.600 -0.177 0.000 0.997 523 E CA 0.736 57.107 56.400 -0.049 0.000 0.810 523 E CB -0.247 29.440 29.700 -0.022 0.000 0.738 523 E HN 0.321 nan 8.360 nan 0.000 0.467 524 L N 0.102 121.097 121.223 -0.381 0.000 2.051 524 L HA -0.233 4.107 4.340 0.000 0.000 0.214 524 L C 1.846 178.231 176.870 -0.808 0.000 1.076 524 L CA 1.884 56.302 54.840 -0.703 0.000 0.758 524 L CB -0.442 40.773 42.059 -1.407 0.000 0.890 524 L HN 0.173 nan 8.230 nan 0.000 0.433 525 F N -0.480 119.071 119.950 -0.664 0.000 2.558 525 F HA -0.013 4.514 4.527 0.000 0.000 0.298 525 F C 2.237 177.743 175.800 -0.490 0.000 1.119 525 F CA 0.773 58.185 58.000 -0.981 0.000 1.451 525 F CB -0.375 38.116 39.000 -0.848 0.000 1.091 525 F HN 0.186 nan 8.300 nan 0.000 0.563 526 E N -0.488 119.642 120.200 -0.118 0.000 2.442 526 E HA -0.079 4.271 4.350 0.000 0.000 0.195 526 E C 0.348 176.945 176.600 -0.006 0.000 1.030 526 E CA -0.044 56.333 56.400 -0.038 0.000 0.869 526 E CB -0.076 29.609 29.700 -0.026 0.000 0.857 526 E HN 0.145 nan 8.360 nan 0.000 0.505 527 D N 1.519 121.910 120.400 -0.015 0.000 2.493 527 D HA -0.039 4.601 4.640 0.000 0.000 0.240 527 D C -1.670 174.691 176.300 0.102 0.000 1.142 527 D CA -1.682 52.343 54.000 0.042 0.000 0.872 527 D CB 1.216 42.053 40.800 0.061 0.000 1.173 527 D HN -0.167 nan 8.370 nan 0.000 0.467 528 P HA -0.106 nan 4.420 nan 0.000 0.216 528 P C 1.643 178.993 177.300 0.083 0.000 1.150 528 P CA 0.850 63.991 63.100 0.068 0.000 0.837 528 P CB 0.200 31.927 31.700 0.046 0.000 0.786 529 L N -2.782 118.502 121.223 0.102 0.000 2.201 529 L HA -0.141 4.199 4.340 0.000 0.000 0.212 529 L C 2.284 179.231 176.870 0.128 0.000 1.105 529 L CA 0.954 55.852 54.840 0.097 0.000 0.775 529 L CB -0.668 41.448 42.059 0.095 0.000 0.913 529 L HN -0.041 nan 8.230 nan 0.000 0.440 530 F N 1.070 121.077 119.950 0.096 0.000 2.095 530 F HA -0.313 4.214 4.527 0.000 0.000 0.298 530 F C 2.793 178.610 175.800 0.029 0.000 1.104 530 F CA 1.983 60.064 58.000 0.134 0.000 1.232 530 F CB -0.115 38.899 39.000 0.023 0.000 0.987 530 F HN 0.131 nan 8.300 nan 0.000 0.475 531 S N -0.315 115.477 115.700 0.152 0.000 2.470 531 S HA -0.074 4.396 4.470 0.000 0.000 0.225 531 S C 2.143 176.626 174.600 -0.196 0.000 1.006 531 S CA 0.453 58.645 58.200 -0.013 0.000 0.934 531 S CB -0.567 62.679 63.200 0.076 0.000 0.778 531 S HN 0.511 nan 8.310 nan 0.000 0.517 532 R N 1.724 122.119 120.500 -0.174 0.000 2.115 532 R HA -0.037 4.303 4.340 0.000 0.000 0.226 532 R C 2.171 178.074 176.300 -0.662 0.000 1.100 532 R CA 1.531 57.453 56.100 -0.296 0.000 0.980 532 R CB -0.392 29.818 30.300 -0.150 0.000 0.875 532 R HN 0.629 nan 8.270 nan 0.000 0.445 533 S N -1.866 113.493 115.700 -0.569 0.000 2.522 533 S HA 0.124 4.594 4.470 0.000 0.000 0.227 533 S C 1.290 175.490 174.600 -0.665 0.000 0.986 533 S CA 0.639 58.425 58.200 -0.690 0.000 0.929 533 S CB 0.783 63.894 63.200 -0.148 0.000 0.769 533 S HN 0.557 nan 8.310 nan 0.000 0.529 534 G N 0.147 108.479 108.800 -0.781 0.000 2.551 534 G HA2 0.036 3.997 3.960 0.000 0.000 0.186 534 G HA3 0.036 3.997 3.960 0.000 0.000 0.186 534 G C 0.437 174.705 174.900 -1.053 0.000 1.002 534 G CA -0.282 43.963 45.100 -1.424 0.000 0.723 534 G HN 0.930 nan 8.290 nan 0.000 0.481 535 G N -0.122 108.288 108.800 -0.650 0.000 2.562 535 G HA2 0.482 4.442 3.960 0.000 0.000 0.233 535 G HA3 0.482 4.442 3.960 0.000 0.000 0.233 535 G C 1.444 176.339 174.900 -0.009 0.000 1.266 535 G CA 1.587 46.433 45.100 -0.424 0.000 0.852 535 G HN 1.902 nan 8.290 nan 0.000 0.581 536 G N -0.589 108.351 108.800 0.234 0.000 2.198 536 G HA2 0.239 4.200 3.960 0.000 0.000 0.257 536 G HA3 0.239 4.200 3.960 0.000 0.000 0.257 536 G C 1.278 176.235 174.900 0.095 0.000 1.042 536 G CA 0.834 46.046 45.100 0.186 0.000 0.791 536 G HN 2.620 nan 8.290 nan 0.000 0.502 537 G N -0.863 108.014 108.800 0.130 0.000 2.338 537 G HA2 -0.286 3.674 3.960 0.000 0.000 0.296 537 G HA3 -0.286 3.674 3.960 0.000 0.000 0.296 537 G C 0.368 175.312 174.900 0.074 0.000 1.040 537 G CA 0.550 45.739 45.100 0.149 0.000 1.004 537 G HN 0.990 nan 8.290 nan 0.000 0.509 538 N N -0.418 118.235 118.700 -0.078 0.000 2.401 538 N HA 0.210 4.950 4.740 0.000 0.000 0.264 538 N C -0.158 175.222 175.510 -0.216 0.000 1.238 538 N CA -0.171 52.797 53.050 -0.136 0.000 0.889 538 N CB 0.244 38.625 38.487 -0.177 0.000 1.196 538 N HN 0.344 nan 8.380 nan 0.000 0.511 539 F N 0.440 120.408 119.950 0.030 0.000 2.445 539 F HA 0.069 4.596 4.527 0.000 0.000 0.359 539 F C 1.696 177.507 175.800 0.020 0.000 1.101 539 F CA -0.293 57.723 58.000 0.027 0.000 1.177 539 F CB 1.313 40.382 39.000 0.116 0.000 1.110 539 F HN -0.162 nan 8.300 nan 0.000 0.522 540 V N 5.937 125.923 119.914 0.120 0.000 2.970 540 V HA 0.012 4.132 4.120 0.000 0.000 0.260 540 V C 0.421 176.598 176.094 0.138 0.000 1.100 540 V CA 1.258 63.605 62.300 0.079 0.000 1.122 540 V CB -0.442 31.373 31.823 -0.014 0.000 0.721 540 V HN 0.521 nan 8.190 nan 0.000 0.483 541 L N 0.890 122.197 121.223 0.141 0.000 2.345 541 L HA 0.442 4.782 4.340 0.000 0.000 0.274 541 L C -0.271 176.681 176.870 0.137 0.000 0.999 541 L CA -0.016 54.901 54.840 0.127 0.000 0.849 541 L CB 1.685 43.749 42.059 0.009 0.000 1.220 541 L HN 0.005 nan 8.230 nan 0.000 0.422 542 S N 2.272 118.038 115.700 0.110 0.000 2.420 542 S HA 0.694 5.164 4.470 0.000 0.000 0.313 542 S C -0.137 174.364 174.600 -0.165 0.000 1.079 542 S CA -0.348 57.878 58.200 0.044 0.000 1.104 542 S CB 0.559 63.832 63.200 0.121 0.000 0.969 542 S HN 0.703 nan 8.310 nan 0.000 0.471 543 T N 1.030 115.503 114.554 -0.136 0.000 2.838 543 T HA 0.837 5.187 4.350 0.000 0.000 0.292 543 T C -0.588 174.069 174.700 -0.071 0.000 1.113 543 T CA -0.767 61.110 62.100 -0.372 0.000 1.008 543 T CB 1.701 70.554 68.868 -0.025 0.000 1.259 543 T HN 0.661 nan 8.240 nan 0.000 0.520 544 S N -0.066 115.568 115.700 -0.110 0.000 2.678 544 S HA 0.432 4.902 4.470 0.000 0.000 0.290 544 S C -2.088 172.312 174.600 -0.333 0.000 1.047 544 S CA -0.845 57.379 58.200 0.040 0.000 0.851 544 S CB 1.051 64.424 63.200 0.288 0.000 1.058 544 S HN 1.271 nan 8.310 nan 0.000 0.451 545 L N 5.622 126.620 121.223 -0.376 0.000 2.331 545 L HA 0.637 4.977 4.340 0.000 0.000 0.278 545 L C 0.938 177.620 176.870 -0.313 0.000 1.106 545 L CA 0.272 54.746 54.840 -0.610 0.000 0.824 545 L CB 1.341 43.263 42.059 -0.228 0.000 1.142 545 L HN 0.749 nan 8.230 nan 0.000 0.443 546 V N 2.582 122.324 119.914 -0.286 0.000 3.596 546 V HA 0.750 4.870 4.120 0.000 0.000 0.289 546 V C 0.826 176.814 176.094 -0.177 0.000 1.336 546 V CA 0.407 62.596 62.300 -0.186 0.000 1.137 546 V CB -1.271 30.474 31.823 -0.131 0.000 0.966 546 V HN 1.315 nan 8.190 nan 0.000 0.428 547 G N 0.297 108.950 108.800 -0.244 0.000 2.373 547 G HA2 -0.068 3.892 3.960 0.000 0.000 0.634 547 G HA3 -0.068 3.892 3.960 0.000 0.000 0.634 547 G C -0.825 173.850 174.900 -0.375 0.000 1.267 547 G CA -0.239 44.694 45.100 -0.278 0.000 1.008 547 G HN 0.339 nan 8.290 nan 0.000 0.497 548 Y N -0.029 120.280 120.300 0.014 0.000 2.669 548 Y HA 0.572 5.122 4.550 0.000 0.000 0.302 548 Y C 1.064 176.920 175.900 -0.073 0.000 1.000 548 Y CA -0.414 57.710 58.100 0.040 0.000 1.222 548 Y CB 0.497 38.973 38.460 0.025 0.000 1.209 548 Y HN 0.316 nan 8.280 nan 0.000 0.571 549 L N 0.483 121.672 121.223 -0.057 0.000 3.168 549 L HA 0.356 4.696 4.340 0.000 0.000 0.277 549 L C 0.605 177.407 176.870 -0.113 0.000 1.308 549 L CA -0.213 54.469 54.840 -0.263 0.000 0.976 549 L CB 0.184 41.982 42.059 -0.435 0.000 1.383 549 L HN 0.334 nan 8.230 nan 0.000 0.572 550 R N -1.451 118.984 120.500 -0.107 0.000 4.004 550 R HA -0.184 4.156 4.340 0.000 0.000 0.338 550 R C 0.043 176.082 176.300 -0.435 0.000 1.238 550 R CA 0.723 56.715 56.100 -0.180 0.000 1.029 550 R CB -1.784 28.545 30.300 0.049 0.000 1.451 550 R HN 0.238 nan 8.270 nan 0.000 0.566 551 V N 0.800 120.422 119.914 -0.487 0.000 2.483 551 V HA 0.322 4.442 4.120 0.000 0.000 0.295 551 V C 0.166 176.026 176.094 -0.389 0.000 1.035 551 V CA -0.572 61.523 62.300 -0.343 0.000 0.896 551 V CB 1.881 33.611 31.823 -0.156 0.000 0.986 551 V HN 0.037 nan 8.190 nan 0.000 0.447 552 Q N 2.159 121.889 119.800 -0.117 0.000 2.377 552 Q HA 0.820 5.160 4.340 0.000 0.000 0.271 552 Q C -0.313 175.847 176.000 0.267 0.000 1.077 552 Q CA -0.055 55.857 55.803 0.182 0.000 0.820 552 Q CB 2.212 31.237 28.738 0.478 0.000 1.347 552 Q HN 0.933 nan 8.270 nan 0.000 0.444 553 G N 0.162 109.116 108.800 0.256 0.000 2.766 553 G HA2 0.797 4.757 3.960 0.000 0.000 0.288 553 G HA3 0.797 4.757 3.960 0.000 0.000 0.288 553 G C -1.729 173.207 174.900 0.060 0.000 1.408 553 G CA -0.211 45.040 45.100 0.253 0.000 0.852 553 G HN 0.752 nan 8.290 nan 0.000 0.487 554 V N -1.462 118.415 119.914 -0.062 0.000 3.300 554 V HA 0.745 4.865 4.120 0.000 0.000 0.289 554 V C -1.160 174.775 176.094 -0.265 0.000 1.533 554 V CA 0.141 62.244 62.300 -0.329 0.000 1.059 554 V CB 1.993 33.655 31.823 -0.268 0.000 1.161 554 V HN 1.746 nan 8.190 nan 0.000 0.462 555 V N 1.047 120.788 119.914 -0.288 0.000 3.202 555 V HA 0.900 5.020 4.120 0.000 0.000 0.306 555 V C -0.285 175.830 176.094 0.035 0.000 1.283 555 V CA -0.277 61.986 62.300 -0.061 0.000 1.065 555 V CB 1.338 33.147 31.823 -0.024 0.000 1.079 555 V HN 1.865 nan 8.190 nan 0.000 0.448 556 V N -2.024 117.915 119.914 0.040 0.000 2.953 556 V HA 0.642 4.762 4.120 0.000 0.000 0.304 556 V C -1.915 174.227 176.094 0.080 0.000 1.073 556 V CA -1.436 60.825 62.300 -0.064 0.000 1.064 556 V CB -0.054 31.735 31.823 -0.058 0.000 1.047 556 V HN 0.922 nan 8.190 nan 0.000 0.478 560 H N 3.730 122.854 119.070 0.091 0.000 2.321 560 H HA -0.128 4.429 4.556 0.000 0.000 0.295 560 H C 1.542 176.946 175.328 0.127 0.000 1.102 560 H CA 2.978 59.067 56.048 0.068 0.000 1.266 560 H CB 0.192 29.908 29.762 -0.077 0.000 1.363 560 H HN 0.920 nan 8.280 nan 0.000 0.492 561 N N 0.224 118.895 118.700 -0.049 0.000 2.389 561 N HA 0.118 4.858 4.740 0.000 0.000 0.237 561 N C 0.406 175.824 175.510 -0.152 0.000 1.148 561 N CA 0.506 53.458 53.050 -0.163 0.000 0.854 561 N CB 0.254 38.699 38.487 -0.071 0.000 1.115 561 N HN 0.368 nan 8.380 nan 0.000 0.492 562 G N -0.537 108.207 108.800 -0.093 0.000 2.735 562 G HA2 0.592 4.553 3.960 0.000 0.000 0.301 562 G HA3 0.592 4.553 3.960 0.000 0.000 0.301 562 G C -1.641 173.143 174.900 -0.194 0.000 1.279 562 G CA -0.502 44.559 45.100 -0.066 0.000 1.019 562 G HN 0.141 nan 8.290 nan 0.000 0.497 563 Y N -1.449 118.917 120.300 0.111 0.000 2.562 563 Y HA 0.623 5.173 4.550 0.000 0.000 0.343 563 Y C 0.678 176.635 175.900 0.095 0.000 1.025 563 Y CA -0.562 57.598 58.100 0.100 0.000 1.082 563 Y CB 2.674 41.228 38.460 0.157 0.000 1.264 563 Y HN 0.704 nan 8.280 nan 0.000 0.478 564 G N 1.382 110.349 108.800 0.278 0.000 2.487 564 G HA2 0.519 4.479 3.960 0.000 0.000 0.314 564 G HA3 0.519 4.479 3.960 0.000 0.000 0.314 564 G C -2.172 172.815 174.900 0.146 0.000 1.267 564 G CA -0.367 44.876 45.100 0.239 0.000 0.937 564 G HN 0.394 nan 8.290 nan 0.000 0.481 565 F N 3.476 123.185 119.950 -0.403 0.000 2.553 565 F HA 0.733 5.260 4.527 0.000 0.000 0.335 565 F C -1.432 173.964 175.800 -0.672 0.000 1.148 565 F CA -1.374 56.441 58.000 -0.308 0.000 0.963 565 F CB 1.150 40.069 39.000 -0.136 0.000 1.217 565 F HN 0.339 nan 8.300 nan 0.000 0.441 566 F N 5.185 125.023 119.950 -0.186 0.000 2.611 566 F HA 0.731 5.258 4.527 0.000 0.000 0.324 566 F C -0.940 174.783 175.800 -0.128 0.000 1.061 566 F CA -1.064 56.853 58.000 -0.138 0.000 0.954 566 F CB 1.864 40.769 39.000 -0.158 0.000 1.301 566 F HN 0.415 nan 8.300 nan 0.000 0.482 567 Y N -1.302 119.061 120.300 0.104 0.000 2.741 567 Y HA 0.671 5.221 4.550 0.000 0.000 0.339 567 Y C -1.520 174.461 175.900 0.135 0.000 1.226 567 Y CA -1.752 56.392 58.100 0.074 0.000 1.072 567 Y CB 0.999 39.494 38.460 0.059 0.000 1.331 567 Y HN 0.711 nan 8.280 nan 0.000 0.453 568 H N -0.233 118.953 119.070 0.193 0.000 2.928 568 H HA 0.867 5.423 4.556 0.000 0.000 0.371 568 H C -2.008 173.434 175.328 0.191 0.000 1.186 568 H CA -1.404 54.682 56.048 0.064 0.000 1.134 568 H CB 2.230 32.001 29.762 0.015 0.000 1.824 568 H HN 0.799 nan 8.280 nan 0.000 0.554 569 I N 2.334 123.014 120.570 0.183 0.000 2.436 569 I HA 0.439 4.609 4.170 0.000 0.000 0.289 569 I C -0.251 176.083 176.117 0.363 0.000 1.010 569 I CA -0.698 60.786 61.300 0.306 0.000 1.098 569 I CB 1.632 39.835 38.000 0.339 0.000 1.266 569 I HN 0.487 nan 8.210 nan 0.000 0.434 570 R N 3.107 123.769 120.500 0.270 0.000 2.732 570 R HA 0.243 4.584 4.340 0.000 0.000 0.278 570 R C 0.265 176.622 176.300 0.095 0.000 0.976 570 R CA -0.790 55.426 56.100 0.194 0.000 0.963 570 R CB 1.295 31.685 30.300 0.150 0.000 1.150 570 R HN 0.642 nan 8.270 nan 0.000 0.478 571 D N 0.234 120.667 120.400 0.055 0.000 2.403 571 D HA -0.173 4.467 4.640 0.000 0.000 0.227 571 D C 0.457 176.709 176.300 -0.080 0.000 0.995 571 D CA 1.016 55.008 54.000 -0.013 0.000 0.928 571 D CB 0.021 40.810 40.800 -0.018 0.000 0.887 571 D HN 0.637 nan 8.370 nan 0.000 0.529 572 D N -1.013 119.332 120.400 -0.092 0.000 2.516 572 D HA 0.029 4.669 4.640 0.000 0.000 0.241 572 D C 0.462 176.637 176.300 -0.209 0.000 1.246 572 D CA -0.365 53.548 54.000 -0.145 0.000 0.808 572 D CB 0.535 41.280 40.800 -0.092 0.000 1.147 572 D HN 0.403 nan 8.370 nan 0.000 0.527 573 R N -1.086 119.281 120.500 -0.222 0.000 2.728 573 R HA 0.518 4.858 4.340 0.000 0.000 0.274 573 R C -2.036 174.173 176.300 -0.151 0.000 1.032 573 R CA -0.754 55.199 56.100 -0.244 0.000 0.866 573 R CB 0.349 30.598 30.300 -0.085 0.000 1.263 573 R HN -0.218 nan 8.270 nan 0.000 0.475 574 F N 0.517 120.465 119.950 -0.002 0.000 2.495 574 F HA 0.603 5.130 4.527 0.000 0.000 0.327 574 F C -0.268 175.549 175.800 0.028 0.000 1.103 574 F CA -1.264 56.723 58.000 -0.022 0.000 0.949 574 F CB 2.500 41.457 39.000 -0.072 0.000 1.142 574 F HN 0.230 nan 8.300 nan 0.000 0.457 575 V N 4.252 124.230 119.914 0.105 0.000 2.487 575 V HA 0.695 4.815 4.120 0.000 0.000 0.298 575 V C -0.531 175.700 176.094 0.228 0.000 1.028 575 V CA -0.870 61.503 62.300 0.122 0.000 0.860 575 V CB 1.855 33.593 31.823 -0.141 0.000 0.991 575 V HN 0.622 nan 8.190 nan 0.000 0.427 576 V N 1.949 122.053 119.914 0.316 0.000 2.960 576 V HA 1.074 5.194 4.120 0.000 0.000 0.315 576 V C -0.221 175.883 176.094 0.016 0.000 1.087 576 V CA -0.828 61.544 62.300 0.119 0.000 0.982 576 V CB 2.009 33.871 31.823 0.066 0.000 1.039 576 V HN 1.237 nan 8.190 nan 0.000 0.437 577 A N 1.961 124.640 122.820 -0.237 0.000 2.429 577 A HA 0.761 5.081 4.320 0.000 0.000 0.289 577 A C -0.820 176.554 177.584 -0.350 0.000 1.043 577 A CA -0.189 51.664 52.037 -0.307 0.000 0.722 577 A CB 1.180 19.906 19.000 -0.457 0.000 1.243 577 A HN 1.787 nan 8.150 nan 0.000 0.415 578 C N 3.046 122.193 119.300 -0.256 0.000 2.455 578 C HA 0.913 5.373 4.460 0.000 0.000 0.320 578 C C 0.302 175.274 174.990 -0.030 0.000 1.226 578 C CA 0.172 59.133 59.018 -0.094 0.000 1.569 578 C CB 0.855 28.610 27.740 0.026 0.000 2.200 578 C HN 1.292 nan 8.230 nan 0.000 0.491 579 S N 3.837 119.560 115.700 0.040 0.000 2.568 579 S HA 0.949 5.419 4.470 0.000 0.000 0.302 579 S C -0.629 173.943 174.600 -0.048 0.000 1.082 579 S CA -0.254 57.910 58.200 -0.059 0.000 1.009 579 S CB 1.691 64.814 63.200 -0.129 0.000 1.069 579 S HN 1.680 nan 8.310 nan 0.000 0.500 580 S N 0.269 115.841 115.700 -0.213 0.000 2.565 580 S HA 0.628 5.099 4.470 0.000 0.000 0.269 580 S C -1.948 172.449 174.600 -0.338 0.000 1.153 580 S CA -1.131 56.913 58.200 -0.260 0.000 0.835 580 S CB 0.113 63.264 63.200 -0.081 0.000 1.122 580 S HN 0.831 nan 8.310 nan 0.000 0.462 581 W N 1.310 122.543 121.300 -0.112 0.000 2.361 581 W HA 0.571 5.232 4.660 0.000 0.000 0.309 581 W C 1.578 178.048 176.519 -0.082 0.000 1.122 581 W CA -0.845 56.456 57.345 -0.074 0.000 1.208 581 W CB 1.211 30.628 29.460 -0.072 0.000 1.246 581 W HN 0.729 nan 8.180 nan 0.000 0.490 582 R N 0.839 121.485 120.500 0.244 0.000 2.096 582 R HA -0.167 4.173 4.340 0.000 0.000 0.235 582 R C 2.303 178.683 176.300 0.134 0.000 1.127 582 R CA 1.798 57.982 56.100 0.139 0.000 0.968 582 R CB -0.337 30.037 30.300 0.122 0.000 0.861 582 R HN 0.585 nan 8.270 nan 0.000 0.440 583 S N -0.397 115.422 115.700 0.199 0.000 2.465 583 S HA -0.146 4.324 4.470 0.000 0.000 0.241 583 S C 1.058 175.782 174.600 0.207 0.000 1.000 583 S CA 0.523 58.842 58.200 0.198 0.000 0.964 583 S CB -0.517 62.819 63.200 0.226 0.000 0.763 583 S HN 0.365 nan 8.310 nan 0.000 0.512 584 C N 4.568 123.893 119.300 0.040 0.000 2.223 584 C HA 0.521 4.982 4.460 0.000 0.000 0.324 584 C C -0.815 174.151 174.990 -0.040 0.000 1.196 584 C CA -2.254 56.681 59.018 -0.138 0.000 1.628 584 C CB 0.852 28.250 27.740 -0.570 0.000 2.229 584 C HN 0.341 nan 8.230 nan 0.000 0.486 585 P HA -0.099 nan 4.420 nan 0.000 0.220 585 P C 0.876 178.189 177.300 0.021 0.000 1.148 585 P CA 1.557 64.669 63.100 0.020 0.000 0.803 585 P CB 0.427 32.144 31.700 0.029 0.000 0.782 586 E N 0.132 120.341 120.200 0.014 0.000 2.208 586 E HA -0.033 4.317 4.350 0.000 0.000 0.193 586 E C 1.098 177.778 176.600 0.135 0.000 0.988 586 E CA 0.855 57.291 56.400 0.061 0.000 0.828 586 E CB -0.782 28.947 29.700 0.048 0.000 0.763 586 E HN 0.418 nan 8.360 nan 0.000 0.478 587 T N -1.355 113.212 114.554 0.022 0.000 2.928 587 T HA 0.458 4.808 4.350 0.000 0.000 0.284 587 T C -0.504 174.255 174.700 0.099 0.000 1.008 587 T CA -0.968 61.146 62.100 0.024 0.000 1.057 587 T CB 1.648 70.204 68.868 -0.521 0.000 1.018 587 T HN -0.159 nan 8.240 nan 0.000 0.493 588 D N 0.815 121.396 120.400 0.301 0.000 2.470 588 D HA 0.376 5.016 4.640 0.000 0.000 0.233 588 D C 0.915 177.402 176.300 0.312 0.000 1.372 588 D CA -0.466 53.660 54.000 0.209 0.000 0.994 588 D CB 1.576 42.436 40.800 0.101 0.000 1.377 588 D HN 0.652 nan 8.370 nan 0.000 0.586 589 A N 3.427 126.410 122.820 0.272 0.000 1.940 589 A HA -0.217 4.103 4.320 0.000 0.000 0.219 589 A C 1.823 179.435 177.584 0.048 0.000 1.176 589 A CA 1.817 53.980 52.037 0.210 0.000 0.631 589 A CB -0.175 18.894 19.000 0.116 0.000 0.814 589 A HN 0.565 nan 8.150 nan 0.000 0.446 590 E N -0.023 120.183 120.200 0.010 0.000 2.031 590 E HA -0.205 4.145 4.350 0.000 0.000 0.193 590 E C 2.021 178.562 176.600 -0.098 0.000 0.994 590 E CA 1.822 58.188 56.400 -0.057 0.000 0.800 590 E CB -0.202 29.470 29.700 -0.047 0.000 0.752 590 E HN 0.399 nan 8.360 nan 0.000 0.447 591 K N -0.125 120.233 120.400 -0.069 0.000 2.147 591 K HA -0.096 4.224 4.320 0.000 0.000 0.205 591 K C 1.969 178.474 176.600 -0.158 0.000 1.049 591 K CA 0.900 57.124 56.287 -0.106 0.000 0.936 591 K CB -0.580 31.872 32.500 -0.079 0.000 0.722 591 K HN 0.231 nan 8.250 nan 0.000 0.446 592 L N -0.239 120.888 121.223 -0.161 0.000 2.056 592 L HA -0.070 4.270 4.340 0.000 0.000 0.207 592 L C 1.878 178.622 176.870 -0.209 0.000 1.078 592 L CA 1.385 56.076 54.840 -0.249 0.000 0.749 592 L CB -0.460 41.343 42.059 -0.426 0.000 0.901 592 L HN 0.005 nan 8.230 nan 0.000 0.433 593 V N -0.310 119.503 119.914 -0.168 0.000 2.343 593 V HA -0.244 3.876 4.120 0.000 0.000 0.247 593 V C 1.639 177.431 176.094 -0.503 0.000 1.051 593 V CA 1.094 63.251 62.300 -0.239 0.000 1.036 593 V CB -0.698 30.954 31.823 -0.284 0.000 0.654 593 V HN 0.527 nan 8.190 nan 0.000 0.451 597 F N 1.525 121.149 119.950 -0.544 0.000 2.146 597 F HA -0.197 4.330 4.527 0.000 0.000 0.298 597 F C 2.190 177.965 175.800 -0.041 0.000 1.096 597 F CA 1.921 59.740 58.000 -0.301 0.000 1.275 597 F CB -0.344 38.677 39.000 0.034 0.000 1.008 597 F HN 0.200 nan 8.300 nan 0.000 0.480 598 H N -0.720 118.444 119.070 0.156 0.000 2.421 598 H HA -0.119 4.437 4.556 0.000 0.000 0.298 598 H C 2.264 177.663 175.328 0.118 0.000 1.087 598 H CA 0.513 56.657 56.048 0.159 0.000 1.330 598 H CB 0.003 29.813 29.762 0.080 0.000 1.388 598 H HN 0.283 nan 8.280 nan 0.000 0.526 599 A N 0.880 123.742 122.820 0.070 0.000 1.898 599 A HA -0.142 4.178 4.320 0.000 0.000 0.216 599 A C 1.778 179.411 177.584 0.082 0.000 1.181 599 A CA 1.056 53.085 52.037 -0.013 0.000 0.620 599 A CB -0.595 18.290 19.000 -0.191 0.000 0.819 599 A HN 0.228 nan 8.150 nan 0.000 0.442 600 F N -0.198 119.748 119.950 -0.006 0.000 2.095 600 F HA -0.151 4.376 4.527 0.000 0.000 0.298 600 F C 2.263 178.225 175.800 0.270 0.000 1.104 600 F CA 1.406 59.410 58.000 0.007 0.000 1.232 600 F CB -1.440 37.254 39.000 -0.510 0.000 0.987 600 F HN 0.517 nan 8.300 nan 0.000 0.475 601 H N 0.034 119.355 119.070 0.419 0.000 2.267 601 H HA -0.103 4.453 4.556 0.000 0.000 0.297 601 H C 0.655 176.151 175.328 0.280 0.000 1.080 601 H CA 1.607 57.886 56.048 0.386 0.000 1.278 601 H CB -0.674 29.310 29.762 0.370 0.000 1.365 601 H HN 0.036 nan 8.280 nan 0.000 0.489 605 Q N 1.391 121.179 119.800 -0.020 0.000 2.077 605 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 605 Q C 1.244 177.257 176.000 0.021 0.000 0.989 605 Q CA 1.719 57.496 55.803 -0.043 0.000 0.853 605 Q CB 0.083 28.745 28.738 -0.127 0.000 0.907 605 Q HN 0.331 nan 8.270 nan 0.000 0.418 609 T N 1.459 116.039 114.554 0.043 0.000 2.737 609 T HA 0.027 4.377 4.350 0.000 0.000 0.265 609 T C 1.435 176.180 174.700 0.075 0.000 1.038 609 T CA 1.484 63.614 62.100 0.050 0.000 1.144 609 T CB -0.254 68.635 68.868 0.036 0.000 0.866 609 T HN 0.371 nan 8.240 nan 0.000 0.434 610 A N 0.544 123.411 122.820 0.079 0.000 2.426 610 A HA 0.175 4.495 4.320 0.000 0.000 0.247 610 A C 1.262 178.899 177.584 0.090 0.000 1.389 610 A CA 0.224 52.302 52.037 0.069 0.000 1.129 610 A CB -0.814 18.219 19.000 0.054 0.000 0.928 610 A HN 0.534 nan 8.150 nan 0.000 0.557 611 H N -0.585 118.484 119.070 -0.002 0.000 2.451 611 H HA 0.386 4.942 4.556 0.000 0.000 0.294 611 H C 0.462 175.786 175.328 -0.007 0.000 1.028 611 H CA 0.801 56.844 56.048 -0.007 0.000 1.349 611 H CB -0.048 29.709 29.762 -0.008 0.000 1.444 611 H HN 0.371 nan 8.280 nan 0.000 0.538 612 L N 0.000 121.264 121.223 0.069 0.000 2.949 612 L HA 0.000 4.340 4.340 0.000 0.000 0.249 612 L CA 0.000 54.850 54.840 0.017 0.000 0.813 612 L CB 0.000 42.044 42.059 -0.024 0.000 0.961 612 L HN 0.000 nan 8.230 nan 0.000 0.502