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 1xl7_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 0.000 176.549 176.600 -0.086 0.000 1.382 11 E CA 0.000 56.363 56.400 -0.061 0.000 0.976 11 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 12 R N 2.247 122.675 120.500 -0.121 0.000 2.532 12 R HA 0.362 4.702 4.340 0.000 0.000 0.295 12 R C 0.853 177.054 176.300 -0.165 0.000 0.968 12 R CA -0.256 55.773 56.100 -0.119 0.000 0.916 12 R CB 1.282 31.536 30.300 -0.076 0.000 1.124 12 R HN 0.581 nan 8.270 nan 0.000 0.463 13 T N 1.628 116.029 114.554 -0.255 0.000 2.680 13 T HA -0.206 4.144 4.350 0.000 0.000 0.268 13 T C 0.770 175.127 174.700 -0.571 0.000 1.033 13 T CA 1.823 63.612 62.100 -0.517 0.000 1.152 13 T CB -0.141 68.224 68.868 -0.839 0.000 0.859 13 T HN 0.475 nan 8.240 nan 0.000 0.452 14 F N 1.061 120.996 119.950 -0.025 0.000 2.647 14 F HA 0.251 4.778 4.527 0.000 0.000 0.300 14 F C 2.029 177.826 175.800 -0.005 0.000 1.106 14 F CA -0.754 57.259 58.000 0.021 0.000 1.313 14 F CB -0.261 38.773 39.000 0.056 0.000 1.007 14 F HN 0.190 nan 8.300 nan 0.000 0.536 15 Q N -0.642 119.155 119.800 -0.005 0.000 2.364 15 Q HA -0.177 4.163 4.340 0.000 0.000 0.207 15 Q C 0.648 176.527 176.000 -0.202 0.000 0.970 15 Q CA 1.703 57.413 55.803 -0.155 0.000 0.888 15 Q CB -0.437 28.093 28.738 -0.347 0.000 0.951 15 Q HN 0.486 nan 8.270 nan 0.000 0.469 16 Y N 0.697 121.050 120.300 0.089 0.000 2.457 16 Y HA 0.138 4.688 4.550 0.000 0.000 0.263 16 Y C 2.069 178.050 175.900 0.134 0.000 1.164 16 Y CA -0.095 58.057 58.100 0.088 0.000 1.274 16 Y CB 0.327 38.823 38.460 0.060 0.000 1.097 16 Y HN 0.078 nan 8.280 nan 0.000 0.523 17 Q N 0.550 120.530 119.800 0.300 0.000 2.077 17 Q HA -0.204 4.137 4.340 0.000 0.000 0.206 17 Q C 1.087 177.267 176.000 0.298 0.000 0.989 17 Q CA 1.589 57.592 55.803 0.332 0.000 0.853 17 Q CB -0.402 28.548 28.738 0.352 0.000 0.907 17 Q HN 0.523 nan 8.270 nan 0.000 0.418 18 D N -0.294 120.223 120.400 0.195 0.000 2.378 18 D HA -0.015 4.625 4.640 0.000 0.000 0.227 18 D C 0.855 177.212 176.300 0.095 0.000 1.012 18 D CA 0.406 54.471 54.000 0.109 0.000 0.905 18 D CB 0.241 41.081 40.800 0.066 0.000 0.895 18 D HN 0.089 nan 8.370 nan 0.000 0.532 19 S N -0.354 115.438 115.700 0.154 0.000 2.523 19 S HA 0.160 4.630 4.470 0.000 0.000 0.217 19 S C 0.951 175.639 174.600 0.147 0.000 0.996 19 S CA -0.359 57.928 58.200 0.144 0.000 0.921 19 S CB 0.990 64.306 63.200 0.195 0.000 0.829 19 S HN 0.154 nan 8.310 nan 0.000 0.495 20 L N 4.069 125.406 121.223 0.190 0.000 2.456 20 L HA 0.231 4.571 4.340 0.000 0.000 0.272 20 L C -1.934 175.048 176.870 0.187 0.000 1.189 20 L CA -1.530 53.430 54.840 0.201 0.000 0.846 20 L CB -0.025 42.210 42.059 0.293 0.000 1.111 20 L HN 0.040 nan 8.230 nan 0.000 0.475 21 P HA 0.105 nan 4.420 nan 0.000 0.274 21 P C -0.674 176.823 177.300 0.328 0.000 1.237 21 P CA -0.499 62.742 63.100 0.235 0.000 0.793 21 P CB 0.887 32.747 31.700 0.266 0.000 0.977 22 S N 0.736 116.568 115.700 0.221 0.000 2.572 22 S HA 0.104 4.574 4.470 0.000 0.000 0.279 22 S C 0.450 175.129 174.600 0.131 0.000 1.341 22 S CA -0.427 57.875 58.200 0.170 0.000 1.043 22 S CB -0.093 63.158 63.200 0.086 0.000 0.887 22 S HN 0.427 nan 8.310 nan 0.000 0.516 23 L N 5.546 126.804 121.223 0.058 0.000 2.513 23 L HA 0.269 4.610 4.340 0.000 0.000 0.272 23 L C -1.940 174.860 176.870 -0.117 0.000 1.187 23 L CA -1.027 53.681 54.840 -0.220 0.000 0.895 23 L CB -0.009 41.920 42.059 -0.217 0.000 1.147 23 L HN 0.370 nan 8.230 nan 0.000 0.483 24 P HA 0.186 nan 4.420 nan 0.000 0.278 24 P C -1.384 175.982 177.300 0.111 0.000 1.266 24 P CA -0.429 62.615 63.100 -0.093 0.000 0.807 24 P CB 1.348 32.929 31.700 -0.198 0.000 1.094 25 V N 2.174 122.069 119.914 -0.032 0.000 2.350 25 V HA 0.282 4.402 4.120 0.000 0.000 0.285 25 V C -2.024 173.974 176.094 -0.161 0.000 1.014 25 V CA -1.677 60.490 62.300 -0.222 0.000 0.831 25 V CB 0.837 32.384 31.823 -0.460 0.000 1.000 25 V HN 0.565 nan 8.190 nan 0.000 0.433 26 P HA 0.284 nan 4.420 nan 0.000 0.271 26 P C -0.288 177.069 177.300 0.095 0.000 1.233 26 P CA -0.202 62.902 63.100 0.007 0.000 0.789 26 P CB 0.524 32.305 31.700 0.136 0.000 0.951 27 A N 1.494 124.389 122.820 0.126 0.000 2.440 27 A HA 0.096 4.416 4.320 0.000 0.000 0.251 27 A C 1.458 179.079 177.584 0.063 0.000 1.089 27 A CA -0.351 51.736 52.037 0.084 0.000 0.779 27 A CB -0.582 18.451 19.000 0.055 0.000 1.022 27 A HN 0.772 nan 8.150 nan 0.000 0.492 28 L N 1.240 122.327 121.223 -0.228 0.000 2.013 28 L HA -0.208 4.132 4.340 0.000 0.000 0.212 28 L C 2.576 179.404 176.870 -0.071 0.000 1.073 28 L CA 2.462 57.164 54.840 -0.229 0.000 0.753 28 L CB -0.249 41.505 42.059 -0.509 0.000 0.890 28 L HN 1.099 nan 8.230 nan 0.000 0.432 29 E N -0.382 119.779 120.200 -0.065 0.000 2.085 29 E HA -0.274 4.076 4.350 0.000 0.000 0.194 29 E C 1.846 178.452 176.600 0.011 0.000 0.994 29 E CA 1.499 57.886 56.400 -0.022 0.000 0.801 29 E CB 0.050 29.739 29.700 -0.018 0.000 0.743 29 E HN 0.487 nan 8.360 nan 0.000 0.453 30 E N 0.459 120.682 120.200 0.039 0.000 2.047 30 E HA -0.111 4.239 4.350 0.000 0.000 0.191 30 E C 2.316 178.963 176.600 0.079 0.000 0.987 30 E CA 0.990 57.428 56.400 0.064 0.000 0.799 30 E CB -0.379 29.375 29.700 0.090 0.000 0.752 30 E HN 0.166 nan 8.360 nan 0.000 0.449 31 S N 1.137 116.915 115.700 0.131 0.000 2.370 31 S HA -0.084 4.386 4.470 0.000 0.000 0.226 31 S C 2.145 176.713 174.600 -0.054 0.000 1.033 31 S CA 0.806 59.099 58.200 0.155 0.000 1.011 31 S CB -0.227 63.137 63.200 0.273 0.000 0.852 31 S HN 0.185 nan 8.310 nan 0.000 0.457 32 L N 0.781 121.988 121.223 -0.027 0.000 2.141 32 L HA -0.077 4.263 4.340 0.000 0.000 0.209 32 L C 2.405 179.247 176.870 -0.046 0.000 1.094 32 L CA 1.094 55.925 54.840 -0.016 0.000 0.763 32 L CB -0.396 41.685 42.059 0.036 0.000 0.908 32 L HN 0.238 nan 8.230 nan 0.000 0.437 33 K N 0.363 120.737 120.400 -0.044 0.000 2.057 33 K HA -0.158 4.162 4.320 0.000 0.000 0.206 33 K C 2.143 178.685 176.600 -0.096 0.000 1.050 33 K CA 1.310 57.571 56.287 -0.043 0.000 0.935 33 K CB 0.006 32.501 32.500 -0.008 0.000 0.715 33 K HN 0.226 nan 8.250 nan 0.000 0.439 34 K N -0.212 120.103 120.400 -0.142 0.000 2.097 34 K HA -0.193 4.127 4.320 0.000 0.000 0.206 34 K C 2.091 178.391 176.600 -0.500 0.000 1.049 34 K CA 1.481 57.654 56.287 -0.190 0.000 0.933 34 K CB -0.232 32.264 32.500 -0.006 0.000 0.717 34 K HN 0.241 nan 8.250 nan 0.000 0.442 35 Y N 1.720 121.412 120.300 -1.014 0.000 2.114 35 Y HA -0.223 4.327 4.550 0.000 0.000 0.284 35 Y C 1.970 177.693 175.900 -0.295 0.000 1.143 35 Y CA 1.234 58.769 58.100 -0.942 0.000 1.135 35 Y CB -0.149 37.884 38.460 -0.712 0.000 0.980 35 Y HN -0.079 nan 8.280 nan 0.000 0.499 36 L N 0.323 121.280 121.223 -0.443 0.000 2.042 36 L HA -0.246 4.094 4.340 0.000 0.000 0.210 36 L C 2.527 179.334 176.870 -0.106 0.000 1.076 36 L CA 1.909 56.553 54.840 -0.328 0.000 0.749 36 L CB -0.543 41.445 42.059 -0.118 0.000 0.893 36 L HN 0.300 nan 8.230 nan 0.000 0.432 37 E N 0.112 120.262 120.200 -0.082 0.000 2.110 37 E HA -0.211 4.139 4.350 0.000 0.000 0.193 37 E C 2.202 178.787 176.600 -0.024 0.000 0.988 37 E CA 1.524 57.906 56.400 -0.031 0.000 0.804 37 E CB -0.088 29.601 29.700 -0.019 0.000 0.745 37 E HN 0.463 nan 8.360 nan 0.000 0.458 38 S N -0.559 115.127 115.700 -0.022 0.000 2.447 38 S HA -0.116 4.354 4.470 0.000 0.000 0.233 38 S C 1.987 176.664 174.600 0.129 0.000 1.006 38 S CA 1.003 59.267 58.200 0.107 0.000 0.957 38 S CB -0.471 62.906 63.200 0.294 0.000 0.773 38 S HN 0.276 nan 8.310 nan 0.000 0.507 39 V N -1.131 118.781 119.914 -0.003 0.000 3.406 39 V HA 0.237 4.357 4.120 0.000 0.000 0.263 39 V C 2.041 178.209 176.094 0.124 0.000 1.172 39 V CA 0.618 62.986 62.300 0.113 0.000 1.140 39 V CB -0.857 30.922 31.823 -0.073 0.000 0.784 39 V HN 0.296 nan 8.190 nan 0.000 0.467 40 K N 1.290 121.693 120.400 0.006 0.000 2.074 40 K HA -0.111 4.209 4.320 0.000 0.000 0.209 40 K C -0.093 176.392 176.600 -0.192 0.000 1.048 40 K CA 2.211 58.427 56.287 -0.118 0.000 0.926 40 K CB -1.498 30.872 32.500 -0.217 0.000 0.713 40 K HN 0.482 nan 8.250 nan 0.000 0.444 41 P HA -0.125 nan 4.420 nan 0.000 0.225 41 P C 0.237 177.096 177.300 -0.735 0.000 1.148 41 P CA 1.116 63.838 63.100 -0.631 0.000 0.779 41 P CB 0.096 31.234 31.700 -0.937 0.000 0.780 42 F N -2.010 117.949 119.950 0.014 0.000 2.683 42 F HA 0.516 5.043 4.527 0.000 0.000 0.306 42 F C 0.899 176.714 175.800 0.025 0.000 1.102 42 F CA -0.627 57.386 58.000 0.021 0.000 1.244 42 F CB 0.020 39.028 39.000 0.013 0.000 1.029 42 F HN -0.216 nan 8.300 nan 0.000 0.545 43 A N 0.554 123.443 122.820 0.115 0.000 2.469 43 A HA 0.693 5.013 4.320 0.000 0.000 0.299 43 A C -0.599 177.021 177.584 0.060 0.000 1.098 43 A CA -0.772 51.331 52.037 0.111 0.000 0.737 43 A CB 1.155 20.250 19.000 0.158 0.000 1.312 43 A HN 0.220 nan 8.150 nan 0.000 0.414 44 N N -0.102 118.638 118.700 0.068 0.000 2.491 44 N HA 0.300 5.040 4.740 0.000 0.000 0.279 44 N C 0.491 176.042 175.510 0.069 0.000 1.236 44 N CA -0.218 52.859 53.050 0.044 0.000 0.982 44 N CB 0.406 38.917 38.487 0.040 0.000 1.194 44 N HN 0.661 nan 8.380 nan 0.000 0.582 45 E N -0.703 119.527 120.200 0.050 0.000 2.086 45 E HA -0.255 4.095 4.350 0.000 0.000 0.200 45 E C 0.520 177.181 176.600 0.102 0.000 1.012 45 E CA 1.750 58.195 56.400 0.074 0.000 0.812 45 E CB -0.099 29.627 29.700 0.042 0.000 0.743 45 E HN 0.559 nan 8.360 nan 0.000 0.453 46 D N 0.248 120.688 120.400 0.068 0.000 2.084 46 D HA -0.167 4.473 4.640 0.000 0.000 0.194 46 D C 1.855 178.188 176.300 0.056 0.000 0.990 46 D CA 1.179 55.211 54.000 0.053 0.000 0.826 46 D CB -0.260 40.562 40.800 0.037 0.000 0.971 46 D HN 0.298 nan 8.370 nan 0.000 0.453 47 E N -0.233 120.007 120.200 0.066 0.000 2.085 47 E HA -0.216 4.134 4.350 0.000 0.000 0.194 47 E C 2.085 178.719 176.600 0.058 0.000 0.994 47 E CA 0.748 57.183 56.400 0.060 0.000 0.801 47 E CB -0.251 29.494 29.700 0.075 0.000 0.743 47 E HN 0.345 nan 8.360 nan 0.000 0.453 48 Y N 1.948 122.243 120.300 -0.008 0.000 2.181 48 Y HA -0.203 4.347 4.550 0.000 0.000 0.288 48 Y C 1.963 177.849 175.900 -0.023 0.000 1.146 48 Y CA 1.428 59.512 58.100 -0.026 0.000 1.164 48 Y CB 0.165 38.606 38.460 -0.032 0.000 0.982 48 Y HN -0.195 nan 8.280 nan 0.000 0.515 49 K N 0.769 121.160 120.400 -0.015 0.000 2.097 49 K HA -0.209 4.111 4.320 0.000 0.000 0.206 49 K C 2.100 178.628 176.600 -0.119 0.000 1.049 49 K CA 1.637 57.882 56.287 -0.071 0.000 0.933 49 K CB -0.486 32.026 32.500 0.021 0.000 0.717 49 K HN 0.394 nan 8.250 nan 0.000 0.442 50 K N 0.714 121.067 120.400 -0.077 0.000 2.026 50 K HA -0.107 4.213 4.320 0.000 0.000 0.208 50 K C 1.941 178.480 176.600 -0.102 0.000 1.048 50 K CA 1.760 58.009 56.287 -0.064 0.000 0.929 50 K CB -0.092 32.391 32.500 -0.028 0.000 0.713 50 K HN -0.014 nan 8.250 nan 0.000 0.439 51 T N 1.096 115.561 114.554 -0.147 0.000 2.788 51 T HA -0.169 4.181 4.350 0.000 0.000 0.268 51 T C 1.641 176.206 174.700 -0.225 0.000 1.044 51 T CA 1.625 63.628 62.100 -0.162 0.000 1.139 51 T CB -0.173 68.581 68.868 -0.191 0.000 0.867 51 T HN 0.448 nan 8.240 nan 0.000 0.454 52 E N 0.603 120.576 120.200 -0.380 0.000 2.077 52 E HA -0.219 4.131 4.350 0.000 0.000 0.193 52 E C 2.221 178.731 176.600 -0.150 0.000 0.989 52 E CA 1.266 57.468 56.400 -0.332 0.000 0.800 52 E CB -0.021 29.429 29.700 -0.417 0.000 0.746 52 E HN 0.336 nan 8.360 nan 0.000 0.452 53 E N 0.772 120.903 120.200 -0.115 0.000 2.106 53 E HA -0.127 4.224 4.350 0.000 0.000 0.192 53 E C 1.925 178.506 176.600 -0.032 0.000 0.984 53 E CA 1.053 57.419 56.400 -0.056 0.000 0.806 53 E CB -0.246 29.429 29.700 -0.043 0.000 0.750 53 E HN 0.397 nan 8.360 nan 0.000 0.458 54 I N -0.390 120.155 120.570 -0.042 0.000 2.179 54 I HA -0.248 3.922 4.170 0.000 0.000 0.242 54 I C 2.169 178.290 176.117 0.007 0.000 1.088 54 I CA 0.857 62.144 61.300 -0.023 0.000 1.357 54 I CB -0.227 37.745 38.000 -0.047 0.000 1.051 54 I HN 0.036 nan 8.210 nan 0.000 0.409 55 V N 0.515 120.427 119.914 -0.004 0.000 2.343 55 V HA -0.286 3.834 4.120 0.000 0.000 0.247 55 V C 2.409 178.555 176.094 0.087 0.000 1.051 55 V CA 1.754 64.085 62.300 0.050 0.000 1.036 55 V CB -0.718 31.128 31.823 0.038 0.000 0.654 55 V HN 0.483 nan 8.190 nan 0.000 0.451 56 Q N -0.191 119.627 119.800 0.030 0.000 2.050 56 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 56 Q C 2.366 178.388 176.000 0.038 0.000 0.980 56 Q CA 1.494 57.311 55.803 0.023 0.000 0.840 56 Q CB -0.246 28.490 28.738 -0.003 0.000 0.898 56 Q HN 0.591 nan 8.270 nan 0.000 0.424 57 K N 0.089 120.518 120.400 0.048 0.000 2.057 57 K HA -0.159 4.161 4.320 0.000 0.000 0.207 57 K C 1.913 178.564 176.600 0.084 0.000 1.049 57 K CA 1.160 57.478 56.287 0.051 0.000 0.931 57 K CB -0.242 32.288 32.500 0.049 0.000 0.714 57 K HN 0.089 nan 8.250 nan 0.000 0.440 58 F N 2.464 122.388 119.950 -0.043 0.000 2.102 58 F HA -0.243 4.284 4.527 0.000 0.000 0.298 58 F C 2.610 178.385 175.800 -0.042 0.000 1.105 58 F CA 1.667 59.638 58.000 -0.048 0.000 1.239 58 F CB -0.324 38.627 39.000 -0.082 0.000 0.991 58 F HN 0.054 nan 8.300 nan 0.000 0.474 59 Q N 0.056 119.860 119.800 0.007 0.000 2.135 59 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 59 Q C 1.929 177.853 176.000 -0.126 0.000 0.981 59 Q CA 2.113 57.856 55.803 -0.099 0.000 0.856 59 Q CB -0.174 28.554 28.738 -0.017 0.000 0.902 59 Q HN 0.600 nan 8.270 nan 0.000 0.425 60 E N -1.145 119.011 120.200 -0.074 0.000 2.230 60 E HA 0.000 4.350 4.350 0.000 0.000 0.192 60 E C 1.106 177.660 176.600 -0.077 0.000 0.987 60 E CA 0.593 56.956 56.400 -0.061 0.000 0.841 60 E CB 0.347 30.030 29.700 -0.029 0.000 0.783 60 E HN 0.445 nan 8.360 nan 0.000 0.481 61 G N 0.599 109.338 108.800 -0.102 0.000 2.887 61 G HA2 0.296 4.256 3.960 0.000 0.000 0.210 61 G HA3 0.296 4.256 3.960 0.000 0.000 0.210 61 G C 1.308 176.111 174.900 -0.162 0.000 1.964 61 G CA 0.233 45.276 45.100 -0.095 0.000 0.738 61 G HN 0.180 nan 8.290 nan 0.000 0.790 62 A N 0.261 122.999 122.820 -0.137 0.000 1.927 62 A HA 0.013 4.333 4.320 0.000 0.000 0.220 62 A C 2.578 179.924 177.584 -0.396 0.000 1.185 62 A CA 2.773 54.721 52.037 -0.147 0.000 0.639 62 A CB -1.350 17.665 19.000 0.026 0.000 0.820 62 A HN 1.001 nan 8.150 nan 0.000 0.451 63 G N -0.750 107.425 108.800 -1.041 0.000 2.418 63 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 63 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 63 G C 1.634 176.199 174.900 -0.557 0.000 1.158 63 G CA 1.251 45.411 45.100 -1.567 0.000 0.771 63 G HN 0.614 nan 8.290 nan 0.000 0.545 64 K N 0.085 120.261 120.400 -0.374 0.000 2.057 64 K HA -0.128 4.192 4.320 0.000 0.000 0.207 64 K C 2.579 179.146 176.600 -0.055 0.000 1.049 64 K CA 1.297 57.494 56.287 -0.150 0.000 0.931 64 K CB -0.074 32.355 32.500 -0.118 0.000 0.714 64 K HN 0.169 nan 8.250 nan 0.000 0.440 65 R N 1.048 121.495 120.500 -0.088 0.000 2.062 65 R HA 0.000 4.340 4.340 0.000 0.000 0.229 65 R C 2.101 178.394 176.300 -0.012 0.000 1.128 65 R CA 1.364 57.441 56.100 -0.038 0.000 0.960 65 R CB -0.646 29.630 30.300 -0.040 0.000 0.855 65 R HN 0.237 nan 8.270 nan 0.000 0.432 66 L N -0.509 120.701 121.223 -0.021 0.000 2.083 66 L HA -0.163 4.177 4.340 0.000 0.000 0.209 66 L C 2.391 179.303 176.870 0.070 0.000 1.083 66 L CA 1.739 56.602 54.840 0.038 0.000 0.752 66 L CB -0.635 41.470 42.059 0.078 0.000 0.899 66 L HN 0.370 nan 8.230 nan 0.000 0.433 67 H N -0.055 119.001 119.070 -0.023 0.000 2.353 67 H HA -0.236 4.320 4.556 0.000 0.000 0.300 67 H C 2.288 177.609 175.328 -0.011 0.000 1.090 67 H CA 2.008 58.069 56.048 0.021 0.000 1.327 67 H CB 0.089 29.864 29.762 0.022 0.000 1.383 67 H HN 0.181 nan 8.280 nan 0.000 0.508 68 Q N 0.849 120.630 119.800 -0.032 0.000 2.096 68 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 68 Q C 1.899 177.838 176.000 -0.101 0.000 0.982 68 Q CA 1.859 57.612 55.803 -0.083 0.000 0.850 68 Q CB -0.038 28.691 28.738 -0.015 0.000 0.901 68 Q HN 0.395 nan 8.270 nan 0.000 0.422 69 K N 0.030 120.399 120.400 -0.051 0.000 2.148 69 K HA -0.095 4.225 4.320 0.000 0.000 0.204 69 K C 2.107 178.678 176.600 -0.049 0.000 1.050 69 K CA 0.928 57.201 56.287 -0.023 0.000 0.942 69 K CB -0.404 32.113 32.500 0.027 0.000 0.724 69 K HN 0.334 nan 8.250 nan 0.000 0.446 70 L N 1.098 122.261 121.223 -0.101 0.000 2.056 70 L HA -0.128 4.212 4.340 0.000 0.000 0.207 70 L C 2.297 178.981 176.870 -0.310 0.000 1.078 70 L CA 0.928 55.656 54.840 -0.187 0.000 0.749 70 L CB -0.202 41.700 42.059 -0.261 0.000 0.901 70 L HN 0.150 nan 8.230 nan 0.000 0.433 71 L N -0.472 120.542 121.223 -0.349 0.000 2.083 71 L HA -0.254 4.086 4.340 0.000 0.000 0.209 71 L C 2.388 179.157 176.870 -0.168 0.000 1.083 71 L CA 1.388 56.050 54.840 -0.298 0.000 0.752 71 L CB -0.456 41.431 42.059 -0.286 0.000 0.899 71 L HN 0.316 nan 8.230 nan 0.000 0.433 72 E N -0.386 119.741 120.200 -0.122 0.000 2.150 72 E HA -0.232 4.118 4.350 0.000 0.000 0.193 72 E C 2.270 178.835 176.600 -0.059 0.000 0.985 72 E CA 0.705 57.064 56.400 -0.070 0.000 0.814 72 E CB -0.015 29.659 29.700 -0.044 0.000 0.752 72 E HN 0.310 nan 8.360 nan 0.000 0.466 73 R N 0.617 121.075 120.500 -0.070 0.000 2.075 73 R HA -0.089 4.251 4.340 0.000 0.000 0.232 73 R C 2.215 178.496 176.300 -0.032 0.000 1.126 73 R CA 1.238 57.303 56.100 -0.057 0.000 0.963 73 R CB -0.166 30.089 30.300 -0.076 0.000 0.858 73 R HN 0.130 nan 8.270 nan 0.000 0.435 74 A N 1.126 123.915 122.820 -0.051 0.000 2.019 74 A HA -0.174 4.146 4.320 0.000 0.000 0.219 74 A C 2.144 179.729 177.584 0.002 0.000 1.164 74 A CA 1.313 53.362 52.037 0.019 0.000 0.644 74 A CB -0.563 18.401 19.000 -0.061 0.000 0.805 74 A HN 0.401 nan 8.150 nan 0.000 0.449 75 R N -0.531 119.951 120.500 -0.031 0.000 2.152 75 R HA -0.098 4.242 4.340 0.000 0.000 0.232 75 R C 1.759 178.047 176.300 -0.021 0.000 1.117 75 R CA 1.436 57.521 56.100 -0.026 0.000 0.981 75 R CB -0.370 29.910 30.300 -0.032 0.000 0.870 75 R HN 0.440 nan 8.270 nan 0.000 0.451 76 G N -0.308 108.480 108.800 -0.020 0.000 3.126 76 G HA2 0.124 4.084 3.960 0.000 0.000 0.224 76 G HA3 0.124 4.084 3.960 0.000 0.000 0.224 76 G C -0.351 174.534 174.900 -0.025 0.000 1.142 76 G CA -0.262 44.824 45.100 -0.023 0.000 0.759 76 G HN 0.109 nan 8.290 nan 0.000 0.550 77 K N 0.217 120.612 120.400 -0.008 0.000 2.541 77 K HA 0.346 4.666 4.320 0.000 0.000 0.250 77 K C 0.421 177.029 176.600 0.012 0.000 0.950 77 K CA -0.764 55.521 56.287 -0.003 0.000 0.805 77 K CB 2.262 34.769 32.500 0.012 0.000 1.166 77 K HN -0.099 nan 8.250 nan 0.000 0.430 78 R N 0.763 121.229 120.500 -0.057 0.000 2.193 78 R HA -0.087 4.253 4.340 0.000 0.000 0.229 78 R C 0.506 176.862 176.300 0.094 0.000 1.110 78 R CA 0.858 56.910 56.100 -0.079 0.000 0.988 78 R CB 0.005 30.026 30.300 -0.465 0.000 0.871 78 R HN 0.388 nan 8.270 nan 0.000 0.458 79 N N 0.087 118.855 118.700 0.113 0.000 2.607 79 N HA -0.023 4.717 4.740 0.000 0.000 0.271 79 N C 0.292 175.772 175.510 -0.051 0.000 1.142 79 N CA -0.452 52.621 53.050 0.038 0.000 0.810 79 N CB 0.547 39.099 38.487 0.108 0.000 1.306 79 N HN 0.223 nan 8.380 nan 0.000 0.536 80 W N 3.389 124.670 121.300 -0.030 0.000 2.468 80 W HA -0.057 4.603 4.660 0.000 0.000 0.262 80 W C 0.463 176.902 176.519 -0.132 0.000 1.241 80 W CA 0.119 57.388 57.345 -0.127 0.000 1.232 80 W CB -0.206 29.188 29.460 -0.110 0.000 1.124 80 W HN 0.384 nan 8.180 nan 0.000 0.597 81 L N 1.387 122.165 121.223 -0.741 0.000 2.357 81 L HA 0.103 4.443 4.340 0.000 0.000 0.211 81 L C 2.645 179.483 176.870 -0.054 0.000 1.075 81 L CA 2.008 56.523 54.840 -0.542 0.000 0.830 81 L CB -0.884 40.493 42.059 -1.137 0.000 0.996 81 L HN 0.014 nan 8.230 nan 0.000 0.467 82 E N 0.231 120.389 120.200 -0.069 0.000 2.119 82 E HA -0.412 3.938 4.350 0.000 0.000 0.221 82 E C 2.027 178.744 176.600 0.196 0.000 1.062 82 E CA 2.532 58.993 56.400 0.102 0.000 0.894 82 E CB -0.351 29.416 29.700 0.110 0.000 0.785 82 E HN 0.675 nan 8.360 nan 0.000 0.472 83 E N -0.801 119.475 120.200 0.127 0.000 2.051 83 E HA -0.201 4.150 4.350 0.000 0.000 0.192 83 E C 1.936 178.714 176.600 0.296 0.000 0.991 83 E CA 1.354 57.846 56.400 0.154 0.000 0.799 83 E CB -0.256 29.479 29.700 0.058 0.000 0.748 83 E HN 0.451 nan 8.360 nan 0.000 0.449 84 W N 0.792 122.197 121.300 0.175 0.000 2.335 84 W HA -0.197 4.463 4.660 0.000 0.000 0.311 84 W C 2.248 178.894 176.519 0.211 0.000 1.213 84 W CA 0.591 58.047 57.345 0.186 0.000 1.274 84 W CB -1.478 28.122 29.460 0.234 0.000 1.148 84 W HN 0.388 nan 8.180 nan 0.000 0.498 85 W N 0.509 121.988 121.300 0.298 0.000 2.355 85 W HA -0.250 4.410 4.660 0.000 0.000 0.309 85 W C 2.156 178.790 176.519 0.191 0.000 1.206 85 W CA 1.381 58.834 57.345 0.181 0.000 1.284 85 W CB -0.717 28.824 29.460 0.136 0.000 1.145 85 W HN -0.180 nan 8.180 nan 0.000 0.502 86 L N 1.778 123.166 121.223 0.275 0.000 2.012 86 L HA -0.246 4.094 4.340 0.000 0.000 0.210 86 L C 1.909 178.848 176.870 0.116 0.000 1.073 86 L CA 2.586 57.550 54.840 0.206 0.000 0.748 86 L CB -1.273 40.904 42.059 0.198 0.000 0.891 86 L HN -0.003 nan 8.230 nan 0.000 0.431 87 N N -1.517 117.252 118.700 0.116 0.000 2.109 87 N HA -0.133 4.607 4.740 0.000 0.000 0.188 87 N C 1.681 177.182 175.510 -0.016 0.000 1.034 87 N CA 1.350 54.444 53.050 0.074 0.000 0.846 87 N CB -0.063 38.499 38.487 0.126 0.000 1.010 87 N HN 0.192 nan 8.380 nan 0.000 0.425 88 V N 0.996 120.882 119.914 -0.047 0.000 2.453 88 V HA -0.079 4.041 4.120 0.000 0.000 0.247 88 V C 2.103 178.007 176.094 -0.317 0.000 1.048 88 V CA 1.717 63.936 62.300 -0.135 0.000 1.049 88 V CB -0.589 31.181 31.823 -0.087 0.000 0.672 88 V HN 0.340 nan 8.190 nan 0.000 0.457 89 A N -2.123 120.328 122.820 -0.616 0.000 2.081 89 A HA 0.074 4.394 4.320 0.000 0.000 0.214 89 A C 1.782 178.736 177.584 -1.049 0.000 1.158 89 A CA 1.072 52.450 52.037 -1.098 0.000 0.724 89 A CB -0.103 17.554 19.000 -2.238 0.000 0.826 89 A HN 0.572 nan 8.150 nan 0.000 0.463 90 Y N -1.777 118.339 120.300 -0.306 0.000 3.208 90 Y HA 0.287 4.838 4.550 0.000 0.000 0.205 90 Y C 1.863 177.712 175.900 -0.084 0.000 0.923 90 Y CA -0.136 57.861 58.100 -0.172 0.000 1.596 90 Y CB -0.233 38.139 38.460 -0.146 0.000 1.478 90 Y HN 0.005 nan 8.280 nan 0.000 0.409 91 L N 0.587 121.885 121.223 0.126 0.000 2.131 91 L HA -0.187 4.153 4.340 0.000 0.000 0.210 91 L C 1.092 177.985 176.870 0.039 0.000 1.092 91 L CA 1.603 56.489 54.840 0.076 0.000 0.759 91 L CB -0.336 41.765 42.059 0.069 0.000 0.903 91 L HN 0.293 nan 8.230 nan 0.000 0.435 92 D N -0.529 119.878 120.400 0.012 0.000 2.289 92 D HA 0.019 4.659 4.640 0.000 0.000 0.207 92 D C 0.857 177.151 176.300 -0.010 0.000 0.966 92 D CA 0.307 54.306 54.000 -0.002 0.000 0.868 92 D CB 0.080 40.871 40.800 -0.016 0.000 0.943 92 D HN 0.013 nan 8.370 nan 0.000 0.514 93 V N 2.380 122.283 119.914 -0.019 0.000 2.617 93 V HA -0.045 4.075 4.120 0.000 0.000 0.304 93 V C 1.605 177.705 176.094 0.010 0.000 1.040 93 V CA 0.305 62.594 62.300 -0.018 0.000 1.149 93 V CB 1.113 32.917 31.823 -0.033 0.000 0.914 93 V HN 0.046 nan 8.190 nan 0.000 0.487 94 R N 3.294 123.798 120.500 0.006 0.000 2.237 94 R HA 0.242 4.582 4.340 0.000 0.000 0.195 94 R C 0.829 177.144 176.300 0.024 0.000 0.956 94 R CA 0.166 56.276 56.100 0.017 0.000 1.029 94 R CB -0.243 30.061 30.300 0.006 0.000 0.972 94 R HN 0.848 nan 8.270 nan 0.000 0.493 95 I N 1.036 121.617 120.570 0.019 0.000 2.993 95 I HA 0.149 4.319 4.170 0.000 0.000 0.286 95 I C -2.105 174.038 176.117 0.043 0.000 1.215 95 I CA -1.883 59.430 61.300 0.022 0.000 1.393 95 I CB -0.194 37.817 38.000 0.019 0.000 1.371 95 I HN -0.261 nan 8.210 nan 0.000 0.602 96 P HA 0.012 nan 4.420 nan 0.000 0.261 96 P C 0.403 177.749 177.300 0.077 0.000 1.203 96 P CA 0.166 63.298 63.100 0.054 0.000 0.767 96 P CB 0.751 32.481 31.700 0.050 0.000 0.785 97 S N 2.774 118.521 115.700 0.077 0.000 2.414 97 S HA -0.186 4.284 4.470 0.000 0.000 0.227 97 S C 1.841 176.496 174.600 0.092 0.000 1.022 97 S CA 0.455 58.713 58.200 0.096 0.000 0.958 97 S CB -0.711 62.549 63.200 0.100 0.000 0.797 97 S HN 0.425 nan 8.310 nan 0.000 0.493 98 Q N 0.477 120.311 119.800 0.056 0.000 2.045 98 Q HA -0.167 4.173 4.340 0.000 0.000 0.206 98 Q C 2.146 178.223 176.000 0.129 0.000 0.991 98 Q CA 1.882 57.713 55.803 0.046 0.000 0.851 98 Q CB -0.237 28.480 28.738 -0.035 0.000 0.911 98 Q HN 0.590 nan 8.270 nan 0.000 0.418 99 L N 0.345 121.680 121.223 0.187 0.000 2.145 99 L HA 0.018 4.358 4.340 0.000 0.000 0.201 99 L C 1.375 178.367 176.870 0.203 0.000 1.075 99 L CA 1.542 56.504 54.840 0.203 0.000 0.773 99 L CB -0.269 41.884 42.059 0.158 0.000 0.936 99 L HN 0.166 nan 8.230 nan 0.000 0.451 100 N N -1.037 117.783 118.700 0.200 0.000 2.412 100 N HA 0.023 4.763 4.740 0.000 0.000 0.184 100 N C 1.153 176.785 175.510 0.204 0.000 1.101 100 N CA 1.143 54.331 53.050 0.231 0.000 0.881 100 N CB 0.984 39.593 38.487 0.203 0.000 0.969 100 N HN 0.344 nan 8.380 nan 0.000 0.459 101 V N -0.316 119.711 119.914 0.189 0.000 3.165 101 V HA 0.068 4.188 4.120 0.000 0.000 0.231 101 V C 0.673 176.923 176.094 0.260 0.000 1.365 101 V CA -0.282 62.156 62.300 0.230 0.000 1.286 101 V CB 0.169 32.128 31.823 0.227 0.000 1.081 101 V HN 0.127 nan 8.190 nan 0.000 0.477 102 N N 1.482 120.274 118.700 0.153 0.000 2.395 102 N HA 0.188 4.928 4.740 0.000 0.000 0.246 102 N C -0.861 174.692 175.510 0.072 0.000 1.246 102 N CA 0.330 53.401 53.050 0.035 0.000 0.879 102 N CB 0.453 38.921 38.487 -0.031 0.000 1.098 102 N HN 0.429 nan 8.380 nan 0.000 0.444 103 F N -0.582 119.363 119.950 -0.009 0.000 2.507 103 F HA 0.700 5.227 4.527 0.000 0.000 0.327 103 F C -0.157 175.620 175.800 -0.039 0.000 1.068 103 F CA -1.201 56.747 58.000 -0.087 0.000 0.965 103 F CB 0.469 39.313 39.000 -0.259 0.000 1.192 103 F HN 0.114 nan 8.300 nan 0.000 0.476 104 V N -0.520 119.551 119.914 0.262 0.000 2.914 104 V HA 1.044 5.164 4.120 0.000 0.000 0.314 104 V C -0.553 175.700 176.094 0.266 0.000 1.084 104 V CA -0.658 61.769 62.300 0.211 0.000 0.963 104 V CB 1.320 33.252 31.823 0.180 0.000 1.025 104 V HN 1.429 nan 8.190 nan 0.000 0.432 105 G N 2.339 111.249 108.800 0.183 0.000 2.739 105 G HA2 0.710 4.670 3.960 0.000 0.000 0.291 105 G HA3 0.710 4.670 3.960 0.000 0.000 0.291 105 G C -3.368 171.545 174.900 0.023 0.000 1.478 105 G CA -1.525 43.657 45.100 0.136 0.000 1.062 105 G HN 0.656 nan 8.290 nan 0.000 0.532 106 P HA 0.284 nan 4.420 nan 0.000 0.275 106 P C -0.034 177.214 177.300 -0.085 0.000 1.228 106 P CA -0.399 62.625 63.100 -0.125 0.000 0.786 106 P CB 0.923 32.425 31.700 -0.330 0.000 0.927 107 C N 5.599 124.871 119.300 -0.047 0.000 2.394 107 C HA 0.195 4.655 4.460 0.000 0.000 0.362 107 C C -0.796 173.922 174.990 -0.452 0.000 1.268 107 C CA -0.857 57.991 59.018 -0.283 0.000 1.828 107 C CB 0.040 27.617 27.740 -0.273 0.000 2.442 107 C HN 0.544 nan 8.230 nan 0.000 0.549 108 P HA -0.056 nan 4.420 nan 0.000 0.279 108 P C 0.456 177.411 177.300 -0.574 0.000 1.451 108 P CA 0.940 63.644 63.100 -0.661 0.000 0.783 108 P CB -0.462 31.023 31.700 -0.358 0.000 1.490 109 H N -0.867 118.011 119.070 -0.320 0.000 2.529 109 H HA -0.005 4.551 4.556 0.000 0.000 0.277 109 H C 1.398 176.457 175.328 -0.450 0.000 0.999 109 H CA 0.407 56.196 56.048 -0.431 0.000 1.256 109 H CB -0.488 29.244 29.762 -0.051 0.000 1.402 109 H HN 0.300 nan 8.280 nan 0.000 0.566 110 F N 0.446 120.369 119.950 -0.046 0.000 2.802 110 F HA 0.168 4.695 4.527 0.000 0.000 0.300 110 F C 1.386 177.140 175.800 -0.078 0.000 1.168 110 F CA 0.050 58.035 58.000 -0.026 0.000 1.433 110 F CB -0.124 38.865 39.000 -0.017 0.000 1.115 110 F HN 0.010 nan 8.300 nan 0.000 0.582 111 E N 0.105 120.057 120.200 -0.412 0.000 2.299 111 E HA -0.074 4.276 4.350 0.000 0.000 0.193 111 E C 1.188 177.776 176.600 -0.021 0.000 0.998 111 E CA 0.873 57.179 56.400 -0.158 0.000 0.851 111 E CB -0.005 29.618 29.700 -0.128 0.000 0.795 111 E HN 0.720 nan 8.360 nan 0.000 0.492 112 H N -2.672 116.345 119.070 -0.089 0.000 5.310 112 H HA 0.064 4.620 4.556 0.000 0.000 0.095 112 H C 1.208 176.440 175.328 -0.161 0.000 1.316 112 H CA -0.266 55.653 56.048 -0.216 0.000 0.281 112 H CB -0.605 28.933 29.762 -0.374 0.000 1.682 112 H HN -0.079 nan 8.280 nan 0.000 0.128 113 Y N -0.095 120.286 120.300 0.134 0.000 2.403 113 Y HA -0.086 4.464 4.550 0.000 0.000 0.291 113 Y C 0.528 176.626 175.900 0.329 0.000 1.143 113 Y CA 0.673 58.867 58.100 0.157 0.000 1.257 113 Y CB 0.043 38.566 38.460 0.105 0.000 0.984 113 Y HN 0.323 nan 8.280 nan 0.000 0.550 114 W N 2.569 123.927 121.300 0.096 0.000 1.853 114 W HA 0.362 5.022 4.660 0.000 0.000 0.290 114 W C -2.484 174.124 176.519 0.147 0.000 0.821 114 W CA -3.486 53.950 57.345 0.151 0.000 2.222 114 W CB -0.658 28.938 29.460 0.225 0.000 2.392 114 W HN -0.112 nan 8.180 nan 0.000 0.420 115 P HA 0.168 nan 4.420 nan 0.000 0.272 115 P C 0.226 177.624 177.300 0.164 0.000 1.230 115 P CA -0.037 63.199 63.100 0.226 0.000 0.788 115 P CB 1.176 32.970 31.700 0.156 0.000 0.949 116 A N 2.631 125.498 122.820 0.078 0.000 2.548 116 A HA 0.166 4.486 4.320 0.000 0.000 0.247 116 A C 0.585 178.178 177.584 0.016 0.000 1.067 116 A CA 0.476 52.511 52.037 -0.003 0.000 0.757 116 A CB -0.719 18.219 19.000 -0.102 0.000 0.996 116 A HN 0.671 nan 8.150 nan 0.000 0.504 117 R N 2.569 123.071 120.500 0.003 0.000 2.572 117 R HA 0.177 4.517 4.340 0.000 0.000 0.273 117 R C -1.136 175.154 176.300 -0.016 0.000 1.168 117 R CA -0.557 55.546 56.100 0.006 0.000 1.021 117 R CB 0.924 31.240 30.300 0.027 0.000 1.249 117 R HN 0.768 nan 8.270 nan 0.000 0.423 118 E N 1.506 121.698 120.200 -0.013 0.000 2.437 118 E HA 0.122 4.472 4.350 0.000 0.000 0.263 118 E C 0.924 177.508 176.600 -0.026 0.000 1.030 118 E CA 1.603 57.991 56.400 -0.020 0.000 0.934 118 E CB 0.909 30.604 29.700 -0.008 0.000 0.943 118 E HN 0.903 nan 8.360 nan 0.000 0.444 119 G N 2.039 110.815 108.800 -0.041 0.000 2.179 119 G HA2 -0.329 3.631 3.960 0.000 0.000 0.260 119 G HA3 -0.329 3.631 3.960 0.000 0.000 0.260 119 G C 0.819 175.681 174.900 -0.064 0.000 0.977 119 G CA 0.923 45.993 45.100 -0.049 0.000 0.641 119 G HN 0.594 nan 8.290 nan 0.000 0.533 120 T N -2.599 111.910 114.554 -0.075 0.000 3.054 120 T HA 0.348 4.698 4.350 0.000 0.000 0.255 120 T C 1.627 176.260 174.700 -0.111 0.000 1.035 120 T CA 1.102 63.144 62.100 -0.096 0.000 0.941 120 T CB 0.566 69.370 68.868 -0.107 0.000 1.026 120 T HN 0.432 nan 8.240 nan 0.000 0.533 121 Q N 0.350 120.083 119.800 -0.112 0.000 2.030 121 Q HA -0.109 4.232 4.340 0.000 0.000 0.204 121 Q C 1.737 177.738 176.000 0.001 0.000 0.986 121 Q CA 1.522 57.267 55.803 -0.096 0.000 0.843 121 Q CB -0.235 28.418 28.738 -0.142 0.000 0.904 121 Q HN 0.426 nan 8.270 nan 0.000 0.420 122 L N 1.272 122.454 121.223 -0.068 0.000 2.027 122 L HA -0.203 4.137 4.340 0.000 0.000 0.206 122 L C 2.480 179.341 176.870 -0.016 0.000 1.074 122 L CA 1.831 56.651 54.840 -0.033 0.000 0.745 122 L CB -1.053 40.947 42.059 -0.098 0.000 0.898 122 L HN 0.368 nan 8.230 nan 0.000 0.433 123 E N 0.109 120.278 120.200 -0.052 0.000 2.038 123 E HA -0.242 4.108 4.350 0.000 0.000 0.195 123 E C 2.250 178.794 176.600 -0.093 0.000 1.000 123 E CA 1.322 57.684 56.400 -0.062 0.000 0.803 123 E CB -0.651 29.012 29.700 -0.062 0.000 0.750 123 E HN 0.462 nan 8.360 nan 0.000 0.448 124 R N 0.632 121.017 120.500 -0.191 0.000 2.096 124 R HA -0.031 4.309 4.340 0.000 0.000 0.235 124 R C 2.656 178.862 176.300 -0.157 0.000 1.127 124 R CA 1.185 56.999 56.100 -0.477 0.000 0.968 124 R CB -0.698 29.131 30.300 -0.784 0.000 0.861 124 R HN 0.380 nan 8.270 nan 0.000 0.440 125 G N 1.368 110.269 108.800 0.168 0.000 2.440 125 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 125 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 125 G C 0.785 175.695 174.900 0.016 0.000 1.154 125 G CA 0.861 46.111 45.100 0.248 0.000 0.767 125 G HN 0.464 nan 8.290 nan 0.000 0.552 130 W N 2.452 123.738 121.300 -0.024 0.000 2.333 130 W HA -0.198 4.462 4.660 0.000 0.000 0.316 130 W C 1.909 178.474 176.519 0.077 0.000 1.215 130 W CA 2.491 59.799 57.345 -0.062 0.000 1.278 130 W CB -0.341 28.955 29.460 -0.273 0.000 1.154 130 W HN 0.298 nan 8.180 nan 0.000 0.486 131 H N -0.105 119.052 119.070 0.144 0.000 2.357 131 H HA -0.136 4.420 4.556 0.000 0.000 0.301 131 H C 2.283 177.760 175.328 0.248 0.000 1.082 131 H CA 1.708 57.822 56.048 0.109 0.000 1.342 131 H CB -0.398 29.463 29.762 0.166 0.000 1.389 131 H HN 0.141 nan 8.280 nan 0.000 0.511 132 N N 0.633 119.549 118.700 0.360 0.000 2.120 132 N HA -0.132 4.608 4.740 0.000 0.000 0.188 132 N C 1.815 177.566 175.510 0.401 0.000 1.024 132 N CA 0.971 54.237 53.050 0.360 0.000 0.852 132 N CB -0.028 38.597 38.487 0.229 0.000 1.003 132 N HN 0.319 nan 8.380 nan 0.000 0.424 133 L N 1.010 122.417 121.223 0.307 0.000 2.141 133 L HA -0.087 4.253 4.340 0.000 0.000 0.209 133 L C 1.927 178.893 176.870 0.159 0.000 1.094 133 L CA 0.666 55.661 54.840 0.259 0.000 0.763 133 L CB -0.356 41.816 42.059 0.188 0.000 0.908 133 L HN 0.133 nan 8.230 nan 0.000 0.437 134 N N -0.551 118.140 118.700 -0.016 0.000 2.244 134 N HA -0.214 4.526 4.740 0.000 0.000 0.183 134 N C 1.791 177.279 175.510 -0.036 0.000 1.016 134 N CA 1.173 54.159 53.050 -0.106 0.000 0.866 134 N CB -0.125 38.267 38.487 -0.158 0.000 0.980 134 N HN 0.349 nan 8.380 nan 0.000 0.430 135 Y N -0.038 120.208 120.300 -0.089 0.000 2.145 135 Y HA -0.245 4.305 4.550 0.000 0.000 0.286 135 Y C 2.394 178.269 175.900 -0.041 0.000 1.145 135 Y CA 1.603 59.553 58.100 -0.251 0.000 1.148 135 Y CB -0.366 38.010 38.460 -0.140 0.000 0.981 135 Y HN 0.142 nan 8.280 nan 0.000 0.507 136 W N 1.609 122.841 121.300 -0.114 0.000 2.338 136 W HA -0.253 4.407 4.660 0.000 0.000 0.304 136 W C 2.101 178.483 176.519 -0.228 0.000 1.212 136 W CA 2.286 59.333 57.345 -0.497 0.000 1.264 136 W CB -0.649 28.170 29.460 -1.067 0.000 1.142 136 W HN 0.168 nan 8.180 nan 0.000 0.512 137 Q N -0.268 119.203 119.800 -0.548 0.000 2.084 137 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 137 Q C 2.158 177.872 176.000 -0.477 0.000 0.978 137 Q CA 1.829 57.203 55.803 -0.715 0.000 0.844 137 Q CB -0.635 27.849 28.738 -0.423 0.000 0.898 137 Q HN 0.271 nan 8.270 nan 0.000 0.426 138 L N 0.402 121.400 121.223 -0.376 0.000 2.046 138 L HA -0.195 4.146 4.340 0.000 0.000 0.208 138 L C 2.149 178.822 176.870 -0.328 0.000 1.077 138 L CA 1.521 56.152 54.840 -0.348 0.000 0.747 138 L CB -0.803 40.994 42.059 -0.437 0.000 0.896 138 L HN 0.244 nan 8.230 nan 0.000 0.432 139 L N -0.917 120.111 121.223 -0.324 0.000 2.027 139 L HA -0.219 4.121 4.340 0.000 0.000 0.206 139 L C 2.823 179.758 176.870 0.108 0.000 1.074 139 L CA 1.152 55.919 54.840 -0.123 0.000 0.745 139 L CB -0.192 41.872 42.059 0.008 0.000 0.898 139 L HN 0.260 nan 8.230 nan 0.000 0.433 140 R N 0.005 120.488 120.500 -0.028 0.000 2.120 140 R HA -0.150 4.190 4.340 0.000 0.000 0.234 140 R C 1.947 178.185 176.300 -0.104 0.000 1.123 140 R CA 1.241 57.306 56.100 -0.057 0.000 0.975 140 R CB 0.024 30.047 30.300 -0.462 0.000 0.866 140 R HN 0.319 nan 8.270 nan 0.000 0.446 141 R N 0.230 120.633 120.500 -0.160 0.000 2.317 141 R HA 0.080 4.420 4.340 0.000 0.000 0.208 141 R C -0.313 175.936 176.300 -0.085 0.000 0.914 141 R CA 0.207 56.230 56.100 -0.128 0.000 1.060 141 R CB 0.299 30.503 30.300 -0.160 0.000 1.015 141 R HN 0.262 nan 8.270 nan 0.000 0.498 142 E N 0.718 120.883 120.200 -0.059 0.000 2.389 142 E HA -0.219 4.131 4.350 0.000 0.000 0.243 142 E C 0.131 176.635 176.600 -0.159 0.000 1.154 142 E CA 0.295 56.643 56.400 -0.087 0.000 0.723 142 E CB -0.429 29.274 29.700 0.004 0.000 1.261 142 E HN 0.182 nan 8.360 nan 0.000 0.390 143 K N -0.126 120.160 120.400 -0.191 0.000 2.353 143 K HA 0.104 4.425 4.320 0.000 0.000 0.195 143 K C 0.618 177.084 176.600 -0.222 0.000 1.031 143 K CA -0.201 55.979 56.287 -0.178 0.000 1.079 143 K CB 0.221 32.627 32.500 -0.157 0.000 0.857 143 K HN 0.131 nan 8.250 nan 0.000 0.535 144 L N 3.330 124.359 121.223 -0.323 0.000 2.462 144 L HA 0.140 4.480 4.340 0.000 0.000 0.272 144 L C -2.472 174.208 176.870 -0.316 0.000 1.166 144 L CA -1.758 52.850 54.840 -0.387 0.000 0.880 144 L CB 0.240 41.943 42.059 -0.594 0.000 1.142 144 L HN -0.125 nan 8.230 nan 0.000 0.473 145 P HA 0.001 nan 4.420 nan 0.000 0.264 145 P C -0.852 176.378 177.300 -0.117 0.000 1.193 145 P CA -0.135 62.903 63.100 -0.104 0.000 0.763 145 P CB 0.412 32.099 31.700 -0.021 0.000 0.810 146 V N 4.852 124.726 119.914 -0.068 0.000 2.572 146 V HA -0.006 4.114 4.120 0.000 0.000 0.291 146 V C 0.834 176.975 176.094 0.078 0.000 1.039 146 V CA 0.094 62.368 62.300 -0.044 0.000 1.055 146 V CB -0.555 31.334 31.823 0.110 0.000 0.969 146 V HN 0.563 nan 8.190 nan 0.000 0.482 147 H N 4.648 123.662 119.070 -0.094 0.000 2.683 147 H HA 0.428 4.984 4.556 0.000 0.000 0.339 147 H C -0.217 175.065 175.328 -0.077 0.000 1.081 147 H CA -0.349 55.660 56.048 -0.065 0.000 1.432 147 H CB 0.821 30.565 29.762 -0.030 0.000 1.462 147 H HN 0.568 nan 8.280 nan 0.000 0.557 148 K N 1.358 121.776 120.400 0.029 0.000 2.508 148 K HA 0.274 4.594 4.320 0.000 0.000 0.260 148 K C -1.071 175.513 176.600 -0.026 0.000 0.949 148 K CA -0.784 55.485 56.287 -0.031 0.000 0.834 148 K CB 2.620 35.082 32.500 -0.063 0.000 1.365 148 K HN 0.355 nan 8.250 nan 0.000 0.437 149 S N 1.068 116.768 115.700 -0.000 0.000 2.520 149 S HA 0.551 5.022 4.470 0.000 0.000 0.324 149 S C 0.452 175.071 174.600 0.033 0.000 1.069 149 S CA 0.614 58.842 58.200 0.047 0.000 1.121 149 S CB 0.094 63.401 63.200 0.178 0.000 0.971 149 S HN 0.904 nan 8.310 nan 0.000 0.463 150 G N 5.346 114.152 108.800 0.010 0.000 2.565 150 G HA2 -0.299 3.662 3.960 0.000 0.000 0.295 150 G HA3 -0.299 3.662 3.960 0.000 0.000 0.295 150 G C 0.401 175.288 174.900 -0.021 0.000 1.165 150 G CA 0.385 45.485 45.100 -0.001 0.000 0.977 150 G HN 0.661 nan 8.290 nan 0.000 0.546 151 N N 1.163 119.845 118.700 -0.029 0.000 2.203 151 N HA 0.176 4.916 4.740 0.000 0.000 0.207 151 N C 0.110 175.562 175.510 -0.097 0.000 1.130 151 N CA 0.679 53.697 53.050 -0.055 0.000 0.861 151 N CB 0.763 39.228 38.487 -0.037 0.000 1.005 151 N HN 0.452 nan 8.380 nan 0.000 0.507 152 T N 4.257 118.769 114.554 -0.071 0.000 2.728 152 T HA 0.224 4.574 4.350 0.000 0.000 0.296 152 T C -2.373 172.256 174.700 -0.117 0.000 0.940 152 T CA -1.140 60.909 62.100 -0.084 0.000 1.013 152 T CB 1.885 70.744 68.868 -0.014 0.000 0.912 152 T HN 0.095 nan 8.240 nan 0.000 0.484 153 P HA 0.253 nan 4.420 nan 0.000 0.271 153 P C -0.745 176.498 177.300 -0.096 0.000 1.218 153 P CA -0.372 62.572 63.100 -0.259 0.000 0.780 153 P CB 0.976 32.333 31.700 -0.572 0.000 0.901 154 L N 1.166 122.359 121.223 -0.051 0.000 2.322 154 L HA 0.402 4.742 4.340 0.000 0.000 0.269 154 L C 1.044 177.929 176.870 0.024 0.000 1.012 154 L CA -0.930 53.883 54.840 -0.045 0.000 0.815 154 L CB 1.295 43.319 42.059 -0.058 0.000 1.295 154 L HN 0.359 nan 8.230 nan 0.000 0.438 158 Q N -0.027 119.814 119.800 0.068 0.000 2.291 158 Q HA -0.009 4.331 4.340 0.000 0.000 0.206 158 Q C 0.998 176.998 176.000 -0.000 0.000 0.976 158 Q CA 1.353 57.168 55.803 0.020 0.000 0.875 158 Q CB -0.136 28.591 28.738 -0.018 0.000 0.927 158 Q HN 0.362 nan 8.270 nan 0.000 0.450 159 F N 0.679 120.690 119.950 0.101 0.000 2.365 159 F HA -0.057 4.470 4.527 0.000 0.000 0.300 159 F C 1.353 177.138 175.800 -0.025 0.000 1.090 159 F CA 0.632 58.667 58.000 0.060 0.000 1.408 159 F CB 0.071 39.088 39.000 0.028 0.000 1.060 159 F HN -0.066 nan 8.300 nan 0.000 0.534 163 F N 1.586 121.514 119.950 -0.035 0.000 2.470 163 F HA 0.622 5.149 4.527 0.000 0.000 0.329 163 F C 1.516 177.401 175.800 0.142 0.000 1.072 163 F CA -0.286 57.769 58.000 0.092 0.000 0.989 163 F CB 1.563 40.651 39.000 0.147 0.000 1.193 163 F HN -0.010 nan 8.300 nan 0.000 0.481 164 S N 0.544 116.442 115.700 0.331 0.000 3.549 164 S HA -0.164 4.306 4.470 0.000 0.000 0.366 164 S C -0.260 174.538 174.600 0.330 0.000 1.012 164 S CA 0.870 59.228 58.200 0.265 0.000 1.141 164 S CB -1.857 61.514 63.200 0.286 0.000 0.910 164 S HN 0.723 nan 8.310 nan 0.000 0.471 165 T N 0.819 115.497 114.554 0.207 0.000 2.886 165 T HA 0.643 4.993 4.350 0.000 0.000 0.292 165 T C -0.416 174.353 174.700 0.115 0.000 1.012 165 T CA -0.434 61.730 62.100 0.108 0.000 0.982 165 T CB 2.026 70.862 68.868 -0.053 0.000 1.018 165 T HN 0.501 nan 8.240 nan 0.000 0.451 166 C N 3.116 122.493 119.300 0.127 0.000 3.082 166 C HA 0.656 5.116 4.460 0.000 0.000 0.324 166 C C -0.844 174.233 174.990 0.144 0.000 1.210 166 C CA -0.930 58.196 59.018 0.180 0.000 1.366 166 C CB 1.449 29.358 27.740 0.282 0.000 1.756 166 C HN 1.043 nan 8.230 nan 0.000 0.485 167 K N 2.952 123.449 120.400 0.162 0.000 2.118 167 K HA 0.755 5.075 4.320 0.000 0.000 0.264 167 K C -1.258 175.451 176.600 0.182 0.000 1.000 167 K CA -0.306 56.057 56.287 0.126 0.000 0.929 167 K CB 1.213 33.776 32.500 0.105 0.000 1.021 167 K HN 0.578 nan 8.250 nan 0.000 0.463 168 V N 5.807 125.786 119.914 0.107 0.000 2.531 168 V HA 0.341 4.461 4.120 0.000 0.000 0.301 168 V C -2.221 173.852 176.094 -0.034 0.000 1.034 168 V CA -1.935 60.400 62.300 0.059 0.000 0.865 168 V CB 1.549 33.398 31.823 0.043 0.000 0.995 168 V HN 0.866 nan 8.190 nan 0.000 0.424 169 P HA 0.293 nan 4.420 nan 0.000 0.271 169 P C -0.146 177.046 177.300 -0.181 0.000 1.218 169 P CA 0.327 63.297 63.100 -0.217 0.000 0.780 169 P CB 1.462 32.811 31.700 -0.586 0.000 0.901 170 G N 1.639 110.383 108.800 -0.095 0.000 2.605 170 G HA2 0.413 4.373 3.960 0.000 0.000 0.296 170 G HA3 0.413 4.373 3.960 0.000 0.000 0.296 170 G C 0.863 175.735 174.900 -0.048 0.000 1.304 170 G CA -0.706 44.354 45.100 -0.068 0.000 0.941 170 G HN 0.266 nan 8.290 nan 0.000 0.475 171 I N 0.363 120.911 120.570 -0.036 0.000 2.252 171 I HA -0.085 4.085 4.170 0.000 0.000 0.245 171 I C 2.591 178.703 176.117 -0.009 0.000 1.102 171 I CA 2.330 63.617 61.300 -0.021 0.000 1.385 171 I CB -0.999 36.992 38.000 -0.016 0.000 1.064 171 I HN 0.655 nan 8.210 nan 0.000 0.414 172 T N -2.894 111.656 114.554 -0.006 0.000 2.954 172 T HA 0.216 4.566 4.350 0.000 0.000 0.252 172 T C 0.876 175.578 174.700 0.004 0.000 0.983 172 T CA -0.350 61.750 62.100 -0.001 0.000 0.941 172 T CB 0.702 69.570 68.868 0.000 0.000 1.141 172 T HN 0.172 nan 8.240 nan 0.000 0.500 173 R N 1.080 121.582 120.500 0.004 0.000 2.510 173 R HA 0.443 4.783 4.340 0.000 0.000 0.287 173 R C -1.864 174.442 176.300 0.010 0.000 1.084 173 R CA -0.449 55.658 56.100 0.013 0.000 0.934 173 R CB 1.349 31.662 30.300 0.022 0.000 1.201 173 R HN -0.008 nan 8.270 nan 0.000 0.431 174 D N 1.192 121.604 120.400 0.019 0.000 2.398 174 D HA 0.281 4.921 4.640 0.000 0.000 0.247 174 D C -0.162 176.151 176.300 0.021 0.000 1.227 174 D CA 0.206 54.215 54.000 0.017 0.000 0.980 174 D CB 1.346 42.169 40.800 0.038 0.000 1.106 174 D HN 0.595 nan 8.370 nan 0.000 0.493 175 S N -0.727 114.984 115.700 0.018 0.000 2.595 175 S HA 0.704 5.174 4.470 0.000 0.000 0.281 175 S C -0.736 173.871 174.600 0.011 0.000 1.117 175 S CA -0.895 57.313 58.200 0.014 0.000 0.873 175 S CB 1.391 64.594 63.200 0.006 0.000 1.108 175 S HN 0.264 nan 8.310 nan 0.000 0.477 179 Y N 1.724 122.082 120.300 0.097 0.000 2.482 179 Y HA 0.329 4.879 4.550 0.000 0.000 0.270 179 Y C 0.734 176.701 175.900 0.112 0.000 1.152 179 Y CA -0.421 57.730 58.100 0.085 0.000 1.292 179 Y CB 0.010 38.509 38.460 0.065 0.000 1.070 179 Y HN 0.505 nan 8.280 nan 0.000 0.528 180 F N 2.704 122.757 119.950 0.171 0.000 2.553 180 F HA 0.315 4.842 4.527 0.000 0.000 0.356 180 F C -0.053 175.812 175.800 0.108 0.000 1.142 180 F CA -0.281 57.822 58.000 0.172 0.000 1.322 180 F CB 0.398 39.523 39.000 0.207 0.000 1.126 180 F HN -0.167 nan 8.300 nan 0.000 0.599 181 K N 3.449 123.210 120.400 -1.064 0.000 2.542 181 K HA 0.269 4.589 4.320 0.000 0.000 0.259 181 K C -0.719 175.280 176.600 -1.003 0.000 0.932 181 K CA -0.879 54.935 56.287 -0.788 0.000 0.820 181 K CB 1.982 34.291 32.500 -0.317 0.000 1.345 181 K HN 0.729 nan 8.250 nan 0.000 0.432 182 T N -1.677 112.529 114.554 -0.580 0.000 2.816 182 T HA 0.148 4.498 4.350 0.000 0.000 0.282 182 T C 1.107 175.690 174.700 -0.195 0.000 0.993 182 T CA -0.417 61.516 62.100 -0.278 0.000 0.994 182 T CB 0.850 69.707 68.868 -0.019 0.000 1.025 182 T HN 0.577 nan 8.240 nan 0.000 0.529 183 E N 0.482 120.604 120.200 -0.130 0.000 2.118 183 E HA -0.125 4.225 4.350 0.000 0.000 0.195 183 E C 2.384 178.946 176.600 -0.064 0.000 0.992 183 E CA 1.409 57.751 56.400 -0.097 0.000 0.804 183 E CB -0.234 29.414 29.700 -0.088 0.000 0.741 183 E HN 0.646 nan 8.360 nan 0.000 0.458 184 S N 0.915 116.584 115.700 -0.051 0.000 2.423 184 S HA -0.133 4.337 4.470 0.000 0.000 0.231 184 S C 1.660 176.237 174.600 -0.039 0.000 1.014 184 S CA 0.962 59.142 58.200 -0.034 0.000 0.965 184 S CB -0.092 63.098 63.200 -0.017 0.000 0.785 184 S HN 0.308 nan 8.310 nan 0.000 0.495 185 E N 0.240 120.401 120.200 -0.063 0.000 2.190 185 E HA 0.336 4.686 4.350 0.000 0.000 0.191 185 E C 1.203 177.775 176.600 -0.047 0.000 0.978 185 E CA 0.372 56.734 56.400 -0.063 0.000 0.839 185 E CB 0.225 29.865 29.700 -0.100 0.000 0.787 185 E HN 0.466 nan 8.360 nan 0.000 0.473 186 G N 0.138 108.907 108.800 -0.052 0.000 2.332 186 G HA2 -0.098 3.862 3.960 0.000 0.000 0.265 186 G HA3 -0.098 3.862 3.960 0.000 0.000 0.265 186 G C -1.594 173.317 174.900 0.018 0.000 1.329 186 G CA -0.780 44.319 45.100 -0.003 0.000 0.949 186 G HN 0.187 nan 8.290 nan 0.000 0.476 187 H N -0.822 118.232 119.070 -0.027 0.000 2.629 187 H HA 0.629 5.185 4.556 0.000 0.000 0.357 187 H C 0.001 175.331 175.328 0.003 0.000 1.121 187 H CA 0.547 56.593 56.048 -0.003 0.000 1.406 187 H CB 1.147 30.915 29.762 0.011 0.000 1.456 187 H HN 0.828 nan 8.280 nan 0.000 0.579 188 C N 7.097 126.021 119.300 -0.626 0.000 2.626 188 C HA 0.518 4.978 4.460 0.000 0.000 0.310 188 C C -2.565 172.126 174.990 -0.498 0.000 1.191 188 C CA -1.903 56.906 59.018 -0.348 0.000 1.517 188 C CB 0.758 28.457 27.740 -0.069 0.000 2.102 188 C HN 0.764 nan 8.230 nan 0.000 0.479 189 P HA 0.127 nan 4.420 nan 0.000 0.266 189 P C 0.271 177.423 177.300 -0.247 0.000 1.193 189 P CA 0.667 63.670 63.100 -0.161 0.000 0.770 189 P CB 0.478 32.070 31.700 -0.180 0.000 0.836 190 T N -2.444 112.028 114.554 -0.136 0.000 3.288 190 T HA 0.139 4.489 4.350 0.000 0.000 0.293 190 T C 0.264 174.814 174.700 -0.250 0.000 1.008 190 T CA -0.323 61.639 62.100 -0.231 0.000 0.929 190 T CB -0.646 68.238 68.868 0.028 0.000 1.152 190 T HN 0.516 nan 8.240 nan 0.000 0.517 191 H N 0.653 119.518 119.070 -0.341 0.000 2.670 191 H HA 0.771 5.327 4.556 0.000 0.000 0.361 191 H C -0.524 174.488 175.328 -0.527 0.000 1.169 191 H CA -1.453 54.364 56.048 -0.385 0.000 1.198 191 H CB 1.913 31.516 29.762 -0.266 0.000 1.700 191 H HN 0.441 nan 8.280 nan 0.000 0.542 192 I N -0.661 119.497 120.570 -0.686 0.000 3.023 192 I HA 0.841 5.011 4.170 0.000 0.000 0.312 192 I C -0.817 175.004 176.117 -0.494 0.000 1.056 192 I CA -1.398 59.428 61.300 -0.790 0.000 1.033 192 I CB 2.170 39.549 38.000 -1.035 0.000 1.233 192 I HN 0.702 nan 8.210 nan 0.000 0.462 193 A N 3.283 125.902 122.820 -0.335 0.000 2.355 193 A HA 0.776 5.096 4.320 0.000 0.000 0.317 193 A C -0.937 176.659 177.584 0.020 0.000 1.094 193 A CA -0.598 51.372 52.037 -0.112 0.000 0.764 193 A CB 1.597 20.530 19.000 -0.110 0.000 1.230 193 A HN 0.541 nan 8.150 nan 0.000 0.448 194 V N 3.541 123.559 119.914 0.173 0.000 2.448 194 V HA 0.404 4.524 4.120 0.000 0.000 0.295 194 V C -0.369 175.920 176.094 0.325 0.000 1.025 194 V CA -0.333 62.149 62.300 0.304 0.000 0.859 194 V CB 1.387 33.454 31.823 0.406 0.000 0.988 194 V HN 0.768 nan 8.190 nan 0.000 0.431 195 L N 4.500 125.866 121.223 0.240 0.000 2.295 195 L HA 0.695 5.035 4.340 0.000 0.000 0.285 195 L C -0.462 176.522 176.870 0.190 0.000 1.035 195 L CA -0.246 54.721 54.840 0.212 0.000 0.806 195 L CB 1.583 43.728 42.059 0.144 0.000 1.214 195 L HN 0.735 nan 8.230 nan 0.000 0.426 196 C N 4.672 124.113 119.300 0.236 0.000 2.752 196 C HA 0.421 4.881 4.460 0.000 0.000 0.360 196 C C 0.077 175.155 174.990 0.148 0.000 1.081 196 C CA -0.667 58.451 59.018 0.167 0.000 1.272 196 C CB 1.063 28.899 27.740 0.160 0.000 1.754 196 C HN 0.962 nan 8.230 nan 0.000 0.483 197 R N 3.869 124.409 120.500 0.067 0.000 3.251 197 R HA -0.185 4.155 4.340 0.000 0.000 0.249 197 R C 1.075 177.409 176.300 0.057 0.000 0.949 197 R CA 1.137 57.263 56.100 0.043 0.000 0.645 197 R CB -2.054 28.261 30.300 0.025 0.000 1.065 197 R HN 2.260 nan 8.270 nan 0.000 0.452 198 G N -0.192 108.637 108.800 0.049 0.000 2.203 198 G HA2 -0.391 3.569 3.960 0.000 0.000 0.263 198 G HA3 -0.391 3.569 3.960 0.000 0.000 0.263 198 G C 0.258 175.192 174.900 0.057 0.000 1.012 198 G CA 1.166 46.288 45.100 0.037 0.000 0.749 198 G HN 0.549 nan 8.290 nan 0.000 0.512 199 R N -0.768 119.791 120.500 0.098 0.000 2.912 199 R HA 0.845 5.185 4.340 0.000 0.000 0.262 199 R C -0.294 176.045 176.300 0.065 0.000 1.057 199 R CA -0.229 55.904 56.100 0.056 0.000 0.981 199 R CB 1.831 32.164 30.300 0.054 0.000 1.201 199 R HN 0.677 nan 8.270 nan 0.000 0.484 200 A N 1.409 124.140 122.820 -0.148 0.000 2.393 200 A HA 0.790 5.110 4.320 0.000 0.000 0.306 200 A C -1.469 175.895 177.584 -0.367 0.000 1.050 200 A CA -0.513 51.489 52.037 -0.059 0.000 0.724 200 A CB 0.761 19.808 19.000 0.078 0.000 1.248 200 A HN 0.482 nan 8.150 nan 0.000 0.424 201 F N 0.595 120.610 119.950 0.108 0.000 2.620 201 F HA 0.747 5.274 4.527 0.000 0.000 0.320 201 F C 0.152 176.015 175.800 0.104 0.000 1.069 201 F CA -0.750 57.326 58.000 0.126 0.000 0.953 201 F CB 2.455 41.576 39.000 0.202 0.000 1.322 201 F HN 0.623 nan 8.300 nan 0.000 0.479 202 V N -0.120 119.972 119.914 0.297 0.000 3.114 202 V HA 0.916 5.037 4.120 0.000 0.000 0.308 202 V C -1.494 174.749 176.094 0.249 0.000 1.168 202 V CA -1.311 61.072 62.300 0.139 0.000 1.015 202 V CB 2.030 33.859 31.823 0.010 0.000 1.050 202 V HN 0.905 nan 8.190 nan 0.000 0.433 203 F N -0.728 119.244 119.950 0.036 0.000 2.688 203 F HA 0.649 5.176 4.527 0.000 0.000 0.308 203 F C -0.982 174.823 175.800 0.008 0.000 1.117 203 F CA -0.804 57.198 58.000 0.004 0.000 0.976 203 F CB 1.264 40.254 39.000 -0.016 0.000 1.291 203 F HN 0.732 nan 8.300 nan 0.000 0.439 204 D N 1.771 122.285 120.400 0.189 0.000 2.389 204 D HA 0.200 4.840 4.640 0.000 0.000 0.247 204 D C 1.105 177.500 176.300 0.158 0.000 1.128 204 D CA 0.178 54.242 54.000 0.107 0.000 0.884 204 D CB 2.181 43.053 40.800 0.119 0.000 1.194 204 D HN 0.698 nan 8.370 nan 0.000 0.441 205 V N 2.208 122.140 119.914 0.031 0.000 3.541 205 V HA 0.233 4.354 4.120 0.000 0.000 0.267 205 V C 0.744 176.936 176.094 0.164 0.000 1.213 205 V CA 0.118 62.470 62.300 0.086 0.000 1.149 205 V CB -0.419 31.367 31.823 -0.062 0.000 0.822 205 V HN 0.316 nan 8.190 nan 0.000 0.462 206 L N 1.041 122.365 121.223 0.169 0.000 2.334 206 L HA 0.712 5.053 4.340 0.000 0.000 0.272 206 L C -0.637 176.373 176.870 0.233 0.000 1.020 206 L CA -0.710 54.249 54.840 0.200 0.000 0.812 206 L CB 1.598 43.769 42.059 0.187 0.000 1.264 206 L HN 0.278 nan 8.230 nan 0.000 0.439 207 H N 1.481 120.606 119.070 0.093 0.000 3.149 207 H HA 0.184 4.740 4.556 0.000 0.000 0.334 207 H C -0.726 174.638 175.328 0.060 0.000 1.000 207 H CA -0.591 55.497 56.048 0.067 0.000 1.415 207 H CB 0.913 30.708 29.762 0.054 0.000 1.819 207 H HN 0.679 nan 8.280 nan 0.000 0.486 208 E N 3.412 123.419 120.200 -0.321 0.000 2.791 208 E HA -0.271 4.079 4.350 0.000 0.000 0.271 208 E C 0.895 177.463 176.600 -0.053 0.000 1.044 208 E CA 0.951 57.223 56.400 -0.214 0.000 0.814 208 E CB -1.363 28.197 29.700 -0.234 0.000 1.400 208 E HN 1.183 nan 8.360 nan 0.000 0.423 209 G N -1.146 107.652 108.800 -0.003 0.000 2.213 209 G HA2 -0.374 3.586 3.960 0.000 0.000 0.236 209 G HA3 -0.374 3.586 3.960 0.000 0.000 0.236 209 G C 0.471 175.410 174.900 0.065 0.000 0.991 209 G CA 0.246 45.365 45.100 0.033 0.000 0.629 209 G HN 0.957 nan 8.290 nan 0.000 0.517 210 C N -0.368 118.989 119.300 0.094 0.000 2.719 210 C HA 0.904 5.364 4.460 0.000 0.000 0.327 210 C C 0.500 175.599 174.990 0.182 0.000 1.238 210 C CA -1.681 57.414 59.018 0.129 0.000 1.727 210 C CB 1.241 29.063 27.740 0.136 0.000 2.256 210 C HN 0.940 nan 8.230 nan 0.000 0.489 211 L N 3.156 124.502 121.223 0.205 0.000 2.416 211 L HA 0.440 4.780 4.340 0.000 0.000 0.272 211 L C 0.493 177.553 176.870 0.316 0.000 1.161 211 L CA -0.095 54.898 54.840 0.255 0.000 0.845 211 L CB 0.233 42.415 42.059 0.205 0.000 1.119 211 L HN 0.767 nan 8.230 nan 0.000 0.464 212 I N 1.382 122.109 120.570 0.261 0.000 2.696 212 I HA 0.341 4.511 4.170 0.000 0.000 0.284 212 I C 0.630 176.842 176.117 0.159 0.000 1.129 212 I CA -0.403 60.998 61.300 0.169 0.000 1.410 212 I CB 0.691 38.744 38.000 0.088 0.000 1.399 212 I HN 0.771 nan 8.210 nan 0.000 0.579 213 T N 1.423 115.899 114.554 -0.130 0.000 2.816 213 T HA 0.372 4.722 4.350 0.000 0.000 0.282 213 T C -1.795 172.487 174.700 -0.696 0.000 0.993 213 T CA -1.541 60.167 62.100 -0.653 0.000 0.994 213 T CB 1.227 69.618 68.868 -0.796 0.000 1.025 213 T HN 0.481 nan 8.240 nan 0.000 0.529 214 P HA -0.024 nan 4.420 nan 0.000 0.216 214 P C -1.537 175.437 177.300 -0.543 0.000 1.153 214 P CA 1.342 63.955 63.100 -0.811 0.000 0.858 214 P CB -1.082 29.956 31.700 -1.103 0.000 0.789 215 P HA -0.156 nan 4.420 nan 0.000 0.216 215 P C 1.370 178.527 177.300 -0.237 0.000 1.153 215 P CA 1.513 64.431 63.100 -0.302 0.000 0.848 215 P CB -0.401 31.169 31.700 -0.217 0.000 0.787 216 E N -0.530 119.513 120.200 -0.262 0.000 2.072 216 E HA -0.102 4.249 4.350 0.000 0.000 0.191 216 E C 2.021 178.492 176.600 -0.215 0.000 0.985 216 E CA 0.854 57.126 56.400 -0.213 0.000 0.801 216 E CB -0.686 28.900 29.700 -0.189 0.000 0.750 216 E HN 0.245 nan 8.360 nan 0.000 0.452 217 L N 0.727 121.835 121.223 -0.192 0.000 2.141 217 L HA -0.166 4.174 4.340 0.000 0.000 0.209 217 L C 2.491 179.267 176.870 -0.157 0.000 1.094 217 L CA 0.322 55.078 54.840 -0.139 0.000 0.763 217 L CB -0.231 41.794 42.059 -0.057 0.000 0.908 217 L HN 0.171 nan 8.230 nan 0.000 0.437 218 L N -0.131 120.996 121.223 -0.160 0.000 2.141 218 L HA -0.175 4.165 4.340 0.000 0.000 0.209 218 L C 2.645 179.447 176.870 -0.114 0.000 1.094 218 L CA 1.602 56.370 54.840 -0.119 0.000 0.763 218 L CB -0.619 41.371 42.059 -0.116 0.000 0.908 218 L HN 0.121 nan 8.230 nan 0.000 0.437 219 R N -1.166 119.247 120.500 -0.145 0.000 2.092 219 R HA -0.136 4.204 4.340 0.000 0.000 0.231 219 R C 2.144 178.353 176.300 -0.153 0.000 1.119 219 R CA 1.292 57.313 56.100 -0.132 0.000 0.970 219 R CB -0.042 30.165 30.300 -0.156 0.000 0.864 219 R HN 0.484 nan 8.270 nan 0.000 0.440 220 Q N 0.626 120.258 119.800 -0.280 0.000 2.020 220 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 220 Q C 2.329 178.220 176.000 -0.182 0.000 0.982 220 Q CA 1.328 56.881 55.803 -0.417 0.000 0.838 220 Q CB -0.362 27.782 28.738 -0.989 0.000 0.899 220 Q HN 0.396 nan 8.270 nan 0.000 0.423 221 L N 0.287 121.445 121.223 -0.109 0.000 2.046 221 L HA -0.161 4.179 4.340 0.000 0.000 0.208 221 L C 2.476 179.363 176.870 0.028 0.000 1.077 221 L CA 1.393 56.241 54.840 0.014 0.000 0.747 221 L CB -0.784 41.307 42.059 0.052 0.000 0.896 221 L HN 0.216 nan 8.230 nan 0.000 0.432 222 T N -1.078 113.478 114.554 0.004 0.000 2.708 222 T HA -0.271 4.079 4.350 0.000 0.000 0.266 222 T C 1.672 176.392 174.700 0.034 0.000 1.037 222 T CA 1.665 63.778 62.100 0.021 0.000 1.146 222 T CB -0.427 68.440 68.868 -0.003 0.000 0.865 222 T HN 0.358 nan 8.240 nan 0.000 0.435 223 Y N 1.695 121.932 120.300 -0.106 0.000 2.081 223 Y HA -0.193 4.357 4.550 0.000 0.000 0.280 223 Y C 2.065 177.864 175.900 -0.169 0.000 1.163 223 Y CA 1.268 59.291 58.100 -0.127 0.000 1.135 223 Y CB -0.510 37.852 38.460 -0.163 0.000 0.970 223 Y HN 0.160 nan 8.280 nan 0.000 0.498 224 I N -0.464 119.977 120.570 -0.215 0.000 2.127 224 I HA -0.363 3.807 4.170 0.000 0.000 0.241 224 I C 2.464 178.375 176.117 -0.342 0.000 1.075 224 I CA 1.968 62.961 61.300 -0.513 0.000 1.334 224 I CB -0.675 37.052 38.000 -0.456 0.000 1.040 224 I HN 0.345 nan 8.210 nan 0.000 0.405 225 H N 1.473 120.421 119.070 -0.203 0.000 2.290 225 H HA -0.176 4.381 4.556 0.000 0.000 0.298 225 H C 2.239 177.487 175.328 -0.134 0.000 1.087 225 H CA 1.810 57.785 56.048 -0.122 0.000 1.291 225 H CB 0.146 29.873 29.762 -0.058 0.000 1.369 225 H HN -0.030 nan 8.280 nan 0.000 0.492 226 K N 0.721 121.078 120.400 -0.071 0.000 2.057 226 K HA -0.164 4.156 4.320 0.000 0.000 0.207 226 K C 2.250 178.730 176.600 -0.199 0.000 1.049 226 K CA 1.393 57.614 56.287 -0.109 0.000 0.931 226 K CB -0.334 32.127 32.500 -0.066 0.000 0.714 226 K HN 0.403 nan 8.250 nan 0.000 0.440 227 K N 0.631 120.845 120.400 -0.309 0.000 2.032 227 K HA -0.157 4.163 4.320 0.000 0.000 0.209 227 K C 2.073 178.569 176.600 -0.173 0.000 1.048 227 K CA 1.863 57.973 56.287 -0.295 0.000 0.927 227 K CB -0.071 32.135 32.500 -0.490 0.000 0.712 227 K HN 0.126 nan 8.250 nan 0.000 0.441 228 C N 0.805 119.996 119.300 -0.180 0.000 2.485 228 C HA 0.028 4.488 4.460 0.000 0.000 0.278 228 C C 2.997 177.903 174.990 -0.140 0.000 1.356 228 C CA 0.582 59.539 59.018 -0.101 0.000 1.747 228 C CB -0.650 27.059 27.740 -0.051 0.000 2.001 228 C HN 0.710 nan 8.230 nan 0.000 0.501 229 S N 3.803 119.358 115.700 -0.241 0.000 2.368 229 S HA -0.252 4.219 4.470 0.000 0.000 0.226 229 S C 1.134 175.666 174.600 -0.113 0.000 1.044 229 S CA 2.255 60.318 58.200 -0.228 0.000 1.062 229 S CB -0.886 62.148 63.200 -0.276 0.000 0.931 229 S HN 0.764 nan 8.310 nan 0.000 0.440 230 N N 1.763 120.410 118.700 -0.088 0.000 2.378 230 N HA 0.297 5.037 4.740 0.000 0.000 0.243 230 N C -0.576 174.910 175.510 -0.039 0.000 1.137 230 N CA -0.294 52.725 53.050 -0.052 0.000 0.862 230 N CB -0.189 38.273 38.487 -0.041 0.000 1.116 230 N HN 0.645 nan 8.380 nan 0.000 0.499 231 E N 0.552 120.729 120.200 -0.039 0.000 2.317 231 E HA 0.385 4.736 4.350 0.000 0.000 0.270 231 E C -2.641 173.951 176.600 -0.013 0.000 0.885 231 E CA -2.236 54.152 56.400 -0.020 0.000 0.760 231 E CB 2.349 32.041 29.700 -0.014 0.000 1.227 231 E HN 0.143 nan 8.360 nan 0.000 0.434 232 P HA -0.024 nan 4.420 nan 0.000 0.268 232 P C -0.114 177.190 177.300 0.006 0.000 1.208 232 P CA -0.179 62.921 63.100 -0.000 0.000 0.777 232 P CB 0.507 32.208 31.700 0.003 0.000 0.875 233 V N 2.002 121.919 119.914 0.005 0.000 2.788 233 V HA 0.143 4.263 4.120 0.000 0.000 0.307 233 V C 1.684 177.788 176.094 0.016 0.000 1.069 233 V CA 0.786 63.092 62.300 0.010 0.000 1.173 233 V CB -0.102 31.724 31.823 0.004 0.000 0.925 233 V HN 0.867 nan 8.190 nan 0.000 0.492 234 G N 4.905 113.721 108.800 0.026 0.000 2.570 234 G HA2 0.234 4.194 3.960 0.000 0.000 0.276 234 G HA3 0.234 4.194 3.960 0.000 0.000 0.276 234 G C -0.927 173.983 174.900 0.017 0.000 1.346 234 G CA -0.332 44.784 45.100 0.028 0.000 1.034 234 G HN 0.645 nan 8.290 nan 0.000 0.512 235 P HA -0.052 nan 4.420 nan 0.000 0.223 235 P C 0.280 177.563 177.300 -0.028 0.000 1.144 235 P CA 1.119 64.224 63.100 0.008 0.000 0.783 235 P CB 0.030 31.751 31.700 0.034 0.000 0.771 236 S N -1.070 114.613 115.700 -0.028 0.000 3.706 236 S HA -0.128 4.342 4.470 0.000 0.000 0.363 236 S C 1.069 175.594 174.600 -0.126 0.000 0.999 236 S CA 0.140 58.305 58.200 -0.058 0.000 1.143 236 S CB -1.848 61.316 63.200 -0.061 0.000 0.902 236 S HN 0.169 nan 8.310 nan 0.000 0.476 237 I N 0.286 120.754 120.570 -0.170 0.000 2.335 237 I HA -0.243 3.927 4.170 0.000 0.000 0.251 237 I C 2.716 178.643 176.117 -0.317 0.000 1.129 237 I CA 1.864 62.991 61.300 -0.290 0.000 1.402 237 I CB -1.841 35.778 38.000 -0.635 0.000 1.069 237 I HN 0.664 nan 8.210 nan 0.000 0.424 238 A N 1.000 123.728 122.820 -0.154 0.000 1.986 238 A HA -0.186 4.134 4.320 0.000 0.000 0.220 238 A C 2.549 179.815 177.584 -0.530 0.000 1.171 238 A CA 1.896 53.778 52.037 -0.259 0.000 0.640 238 A CB -0.686 18.383 19.000 0.115 0.000 0.811 238 A HN 0.432 nan 8.150 nan 0.000 0.451 239 A N -0.322 122.270 122.820 -0.380 0.000 2.076 239 A HA -0.053 4.267 4.320 0.000 0.000 0.220 239 A C 2.017 179.282 177.584 -0.532 0.000 1.160 239 A CA 1.412 53.214 52.037 -0.392 0.000 0.653 239 A CB -0.586 18.266 19.000 -0.248 0.000 0.801 239 A HN 0.521 nan 8.150 nan 0.000 0.455 240 L N -0.023 120.789 121.223 -0.685 0.000 2.275 240 L HA -0.133 4.207 4.340 0.000 0.000 0.215 240 L C 2.757 178.774 176.870 -1.422 0.000 1.119 240 L CA 1.545 55.865 54.840 -0.866 0.000 0.790 240 L CB -0.784 40.762 42.059 -0.856 0.000 0.919 240 L HN 0.649 nan 8.230 nan 0.000 0.443 241 T N -4.122 109.488 114.554 -1.574 0.000 3.051 241 T HA -0.099 4.251 4.350 0.000 0.000 0.269 241 T C 1.764 175.994 174.700 -0.783 0.000 1.127 241 T CA 0.950 62.142 62.100 -1.514 0.000 1.107 241 T CB -0.258 67.815 68.868 -1.325 0.000 0.898 241 T HN 0.404 nan 8.240 nan 0.000 0.517 242 S N -0.506 114.833 115.700 -0.602 0.000 2.575 242 S HA 0.195 4.665 4.470 0.000 0.000 0.215 242 S C 0.619 175.121 174.600 -0.164 0.000 0.966 242 S CA -0.587 57.413 58.200 -0.333 0.000 0.911 242 S CB -0.082 62.856 63.200 -0.436 0.000 0.780 242 S HN 0.402 nan 8.310 nan 0.000 0.514 243 E N 2.039 122.108 120.200 -0.218 0.000 2.351 243 E HA 0.174 4.524 4.350 0.000 0.000 0.255 243 E C 0.085 176.688 176.600 0.006 0.000 1.188 243 E CA -0.329 56.023 56.400 -0.079 0.000 0.940 243 E CB 0.371 30.030 29.700 -0.069 0.000 1.094 243 E HN 0.382 nan 8.360 nan 0.000 0.474 244 E N 1.330 121.546 120.200 0.028 0.000 2.452 244 E HA -0.115 4.235 4.350 0.000 0.000 0.261 244 E C 0.866 177.521 176.600 0.091 0.000 0.987 244 E CA -0.044 56.382 56.400 0.043 0.000 0.926 244 E CB 0.510 30.225 29.700 0.024 0.000 0.934 244 E HN 0.300 nan 8.360 nan 0.000 0.452 245 R N 2.686 123.243 120.500 0.094 0.000 2.103 245 R HA -0.122 4.218 4.340 0.000 0.000 0.242 245 R C 2.056 178.415 176.300 0.099 0.000 1.142 245 R CA 1.807 57.982 56.100 0.125 0.000 0.960 245 R CB -1.219 29.132 30.300 0.085 0.000 0.858 245 R HN 0.524 nan 8.270 nan 0.000 0.439 246 T N 1.006 115.595 114.554 0.059 0.000 2.857 246 T HA -0.011 4.339 4.350 0.000 0.000 0.266 246 T C 1.915 176.646 174.700 0.051 0.000 1.048 246 T CA 0.888 63.008 62.100 0.033 0.000 1.139 246 T CB -0.030 68.848 68.868 0.017 0.000 0.874 246 T HN 0.283 nan 8.240 nan 0.000 0.455 247 R N -0.058 120.486 120.500 0.074 0.000 2.096 247 R HA -0.062 4.278 4.340 0.000 0.000 0.235 247 R C 2.357 178.760 176.300 0.171 0.000 1.127 247 R CA 1.320 57.471 56.100 0.084 0.000 0.968 247 R CB -0.299 30.036 30.300 0.059 0.000 0.861 247 R HN 0.597 nan 8.270 nan 0.000 0.440 248 W N 1.089 122.362 121.300 -0.046 0.000 2.409 248 W HA -0.145 4.515 4.660 0.000 0.000 0.299 248 W C 1.951 178.452 176.519 -0.029 0.000 1.203 248 W CA 0.792 58.100 57.345 -0.060 0.000 1.298 248 W CB -0.026 29.382 29.460 -0.087 0.000 1.127 248 W HN 0.117 nan 8.180 nan 0.000 0.528 249 A N 1.316 124.064 122.820 -0.119 0.000 1.908 249 A HA -0.244 4.076 4.320 0.000 0.000 0.218 249 A C 1.902 179.393 177.584 -0.155 0.000 1.181 249 A CA 2.129 53.999 52.037 -0.278 0.000 0.627 249 A CB -0.778 18.133 19.000 -0.150 0.000 0.818 249 A HN 0.370 nan 8.150 nan 0.000 0.445 250 K N -0.459 119.922 120.400 -0.032 0.000 2.057 250 K HA 0.032 4.352 4.320 0.000 0.000 0.206 250 K C 2.304 178.944 176.600 0.068 0.000 1.050 250 K CA 0.979 57.276 56.287 0.017 0.000 0.935 250 K CB -0.298 32.221 32.500 0.030 0.000 0.715 250 K HN 0.427 nan 8.250 nan 0.000 0.439 251 A N 1.659 124.544 122.820 0.108 0.000 1.933 251 A HA -0.187 4.133 4.320 0.000 0.000 0.218 251 A C 2.106 179.809 177.584 0.199 0.000 1.175 251 A CA 1.439 53.586 52.037 0.183 0.000 0.628 251 A CB -0.431 18.733 19.000 0.273 0.000 0.814 251 A HN 0.221 nan 8.150 nan 0.000 0.444 252 R N -0.101 120.398 120.500 -0.001 0.000 2.092 252 R HA -0.130 4.210 4.340 0.000 0.000 0.231 252 R C 1.950 178.230 176.300 -0.033 0.000 1.119 252 R CA 1.643 57.644 56.100 -0.167 0.000 0.970 252 R CB -0.221 29.617 30.300 -0.770 0.000 0.864 252 R HN 0.690 nan 8.270 nan 0.000 0.440 253 E N -0.762 119.423 120.200 -0.025 0.000 2.072 253 E HA -0.236 4.114 4.350 0.000 0.000 0.191 253 E C 1.701 178.340 176.600 0.065 0.000 0.985 253 E CA 1.262 57.668 56.400 0.009 0.000 0.801 253 E CB -0.248 29.456 29.700 0.006 0.000 0.750 253 E HN 0.384 nan 8.360 nan 0.000 0.452 254 Y N 1.549 121.854 120.300 0.010 0.000 2.145 254 Y HA -0.243 4.307 4.550 0.000 0.000 0.286 254 Y C 2.259 178.188 175.900 0.048 0.000 1.145 254 Y CA 1.251 59.368 58.100 0.028 0.000 1.148 254 Y CB -0.249 38.231 38.460 0.033 0.000 0.981 254 Y HN 0.019 nan 8.280 nan 0.000 0.507 255 L N 0.532 121.917 121.223 0.269 0.000 2.013 255 L HA -0.249 4.091 4.340 0.000 0.000 0.212 255 L C 2.167 179.100 176.870 0.105 0.000 1.073 255 L CA 1.935 56.904 54.840 0.214 0.000 0.753 255 L CB -0.823 41.387 42.059 0.251 0.000 0.890 255 L HN 0.386 nan 8.230 nan 0.000 0.432 256 I N -0.786 119.830 120.570 0.077 0.000 2.394 256 I HA -0.260 3.910 4.170 0.000 0.000 0.251 256 I C 2.504 178.608 176.117 -0.020 0.000 1.136 256 I CA 1.273 62.599 61.300 0.044 0.000 1.425 256 I CB -0.498 37.522 38.000 0.033 0.000 1.079 256 I HN 0.473 nan 8.210 nan 0.000 0.425 257 S N 1.145 116.794 115.700 -0.085 0.000 2.423 257 S HA -0.090 4.380 4.470 0.000 0.000 0.231 257 S C 1.954 176.460 174.600 -0.157 0.000 1.014 257 S CA 0.739 58.857 58.200 -0.137 0.000 0.965 257 S CB -0.697 62.376 63.200 -0.211 0.000 0.785 257 S HN 0.430 nan 8.310 nan 0.000 0.495 258 L N 0.779 121.897 121.223 -0.176 0.000 2.201 258 L HA 0.130 4.470 4.340 0.000 0.000 0.212 258 L C 0.359 177.203 176.870 -0.044 0.000 1.105 258 L CA 1.012 55.779 54.840 -0.122 0.000 0.775 258 L CB -0.268 41.751 42.059 -0.067 0.000 0.913 258 L HN 0.401 nan 8.230 nan 0.000 0.440 259 D N -2.649 117.739 120.400 -0.020 0.000 2.521 259 D HA 0.129 4.769 4.640 0.000 0.000 0.195 259 D C -2.218 174.080 176.300 -0.002 0.000 1.286 259 D CA -1.178 52.817 54.000 -0.007 0.000 0.854 259 D CB 1.518 42.322 40.800 0.007 0.000 1.723 259 D HN -0.331 nan 8.370 nan 0.000 0.550 260 P HA -0.169 nan 4.420 nan 0.000 0.216 260 P C 1.093 178.386 177.300 -0.012 0.000 1.154 260 P CA 1.132 64.226 63.100 -0.011 0.000 0.865 260 P CB 0.319 32.009 31.700 -0.017 0.000 0.789 261 E N -0.764 119.420 120.200 -0.027 0.000 2.209 261 E HA -0.248 4.102 4.350 0.000 0.000 0.196 261 E C 1.618 178.178 176.600 -0.066 0.000 0.993 261 E CA 0.927 57.295 56.400 -0.054 0.000 0.819 261 E CB -0.366 29.293 29.700 -0.069 0.000 0.745 261 E HN 0.131 nan 8.360 nan 0.000 0.477 262 N N 0.597 119.290 118.700 -0.013 0.000 2.205 262 N HA -0.173 4.568 4.740 0.000 0.000 0.186 262 N C 1.742 177.311 175.510 0.097 0.000 1.015 262 N CA 0.726 53.809 53.050 0.055 0.000 0.862 262 N CB -0.303 38.305 38.487 0.202 0.000 0.986 262 N HN 0.234 nan 8.380 nan 0.000 0.429 263 L N 1.120 122.382 121.223 0.065 0.000 2.056 263 L HA -0.068 4.272 4.340 0.000 0.000 0.207 263 L C 1.882 178.770 176.870 0.031 0.000 1.078 263 L CA 1.701 56.583 54.840 0.071 0.000 0.749 263 L CB -1.194 40.889 42.059 0.041 0.000 0.901 263 L HN 0.059 nan 8.230 nan 0.000 0.433 264 T N -0.057 114.482 114.554 -0.024 0.000 2.720 264 T HA -0.169 4.181 4.350 0.000 0.000 0.268 264 T C 1.855 176.491 174.700 -0.106 0.000 1.037 264 T CA 1.748 63.809 62.100 -0.066 0.000 1.144 264 T CB -0.319 68.496 68.868 -0.088 0.000 0.864 264 T HN 0.173 nan 8.240 nan 0.000 0.444 265 L N 0.576 121.698 121.223 -0.168 0.000 2.017 265 L HA 0.040 4.380 4.340 0.000 0.000 0.208 265 L C 2.392 179.218 176.870 -0.074 0.000 1.073 265 L CA 1.376 56.039 54.840 -0.295 0.000 0.745 265 L CB -1.067 40.488 42.059 -0.840 0.000 0.894 265 L HN 0.257 nan 8.230 nan 0.000 0.432 266 L N -0.883 120.421 121.223 0.135 0.000 2.012 266 L HA -0.246 4.095 4.340 0.000 0.000 0.210 266 L C 2.496 179.413 176.870 0.079 0.000 1.073 266 L CA 1.386 56.370 54.840 0.240 0.000 0.748 266 L CB -0.593 41.671 42.059 0.341 0.000 0.891 266 L HN 0.360 nan 8.230 nan 0.000 0.431 267 E N -0.014 120.209 120.200 0.039 0.000 2.153 267 E HA -0.235 4.115 4.350 0.000 0.000 0.194 267 E C 2.160 178.704 176.600 -0.093 0.000 0.988 267 E CA 0.951 57.343 56.400 -0.014 0.000 0.811 267 E CB -0.039 29.646 29.700 -0.024 0.000 0.746 267 E HN 0.422 nan 8.360 nan 0.000 0.466 268 K N 0.567 120.906 120.400 -0.101 0.000 2.097 268 K HA -0.103 4.217 4.320 0.000 0.000 0.206 268 K C 2.109 178.691 176.600 -0.029 0.000 1.049 268 K CA 0.945 57.172 56.287 -0.100 0.000 0.933 268 K CB -0.019 32.370 32.500 -0.186 0.000 0.717 268 K HN 0.127 nan 8.250 nan 0.000 0.442 269 I N 0.881 121.356 120.570 -0.159 0.000 2.286 269 I HA -0.275 3.895 4.170 0.000 0.000 0.245 269 I C 2.311 178.272 176.117 -0.261 0.000 1.104 269 I CA 1.204 62.309 61.300 -0.324 0.000 1.397 269 I CB -0.227 37.321 38.000 -0.754 0.000 1.072 269 I HN 0.219 nan 8.210 nan 0.000 0.417 270 Q N 0.270 119.988 119.800 -0.137 0.000 2.096 270 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 270 Q C 2.143 178.139 176.000 -0.006 0.000 0.982 270 Q CA 2.322 58.147 55.803 0.036 0.000 0.850 270 Q CB -0.259 28.587 28.738 0.180 0.000 0.901 270 Q HN 0.616 nan 8.270 nan 0.000 0.422 271 T N -1.775 112.625 114.554 -0.256 0.000 3.113 271 T HA 0.041 4.391 4.350 0.000 0.000 0.256 271 T C 0.952 175.450 174.700 -0.337 0.000 1.131 271 T CA 0.145 61.987 62.100 -0.430 0.000 1.074 271 T CB -0.109 68.437 68.868 -0.537 0.000 0.944 271 T HN 0.198 nan 8.240 nan 0.000 0.516 272 S N 1.249 116.728 115.700 -0.369 0.000 2.568 272 S HA 0.241 4.711 4.470 0.000 0.000 0.282 272 S C 1.350 175.695 174.600 -0.425 0.000 1.338 272 S CA -0.734 57.043 58.200 -0.706 0.000 1.045 272 S CB 0.334 63.261 63.200 -0.455 0.000 0.873 272 S HN 0.344 nan 8.310 nan 0.000 0.516 273 L N 0.932 121.814 121.223 -0.569 0.000 2.051 273 L HA -0.038 4.303 4.340 0.000 0.000 0.214 273 L C 0.633 177.617 176.870 0.190 0.000 1.076 273 L CA 1.693 56.355 54.840 -0.296 0.000 0.758 273 L CB -0.710 40.943 42.059 -0.676 0.000 0.890 273 L HN 0.896 nan 8.230 nan 0.000 0.433 274 F N -5.396 114.561 119.950 0.012 0.000 2.842 274 F HA 0.538 5.065 4.527 0.000 0.000 0.319 274 F C -1.226 174.595 175.800 0.035 0.000 1.159 274 F CA -1.645 56.433 58.000 0.130 0.000 0.902 274 F CB 0.638 39.870 39.000 0.387 0.000 1.311 274 F HN -0.505 nan 8.300 nan 0.000 0.453 275 V N 2.006 122.120 119.914 0.333 0.000 2.427 275 V HA 0.365 4.485 4.120 0.000 0.000 0.286 275 V C -1.351 174.958 176.094 0.359 0.000 1.034 275 V CA -0.611 61.809 62.300 0.200 0.000 0.893 275 V CB 1.366 33.267 31.823 0.129 0.000 0.982 275 V HN 0.755 nan 8.190 nan 0.000 0.452 276 Y N 3.418 123.822 120.300 0.174 0.000 2.328 276 Y HA 0.557 5.107 4.550 0.000 0.000 0.337 276 Y C 0.304 176.280 175.900 0.126 0.000 0.966 276 Y CA -0.339 57.883 58.100 0.203 0.000 1.136 276 Y CB 1.625 40.235 38.460 0.250 0.000 1.170 276 Y HN 0.620 nan 8.280 nan 0.000 0.470 277 S N 7.115 122.615 115.700 -0.333 0.000 2.437 277 S HA 0.548 5.018 4.470 0.000 0.000 0.305 277 S C -0.545 173.803 174.600 -0.419 0.000 1.109 277 S CA -0.653 57.388 58.200 -0.265 0.000 1.099 277 S CB 0.650 63.732 63.200 -0.196 0.000 1.004 277 S HN 0.585 nan 8.310 nan 0.000 0.475 278 I N 3.301 123.750 120.570 -0.202 0.000 2.304 278 I HA 0.287 4.457 4.170 0.000 0.000 0.291 278 I C 0.300 176.343 176.117 -0.123 0.000 1.018 278 I CA -0.239 60.975 61.300 -0.144 0.000 1.260 278 I CB 0.726 38.757 38.000 0.053 0.000 1.390 278 I HN 0.453 nan 8.210 nan 0.000 0.475 279 E N 5.011 125.087 120.200 -0.206 0.000 2.212 279 E HA 0.224 4.574 4.350 0.000 0.000 0.270 279 E C -0.539 176.051 176.600 -0.017 0.000 0.956 279 E CA -0.516 55.800 56.400 -0.140 0.000 0.825 279 E CB 2.118 31.638 29.700 -0.300 0.000 1.167 279 E HN 0.460 nan 8.360 nan 0.000 0.400 280 D N 0.306 120.731 120.400 0.041 0.000 2.349 280 D HA 0.008 4.648 4.640 0.000 0.000 0.214 280 D C 0.484 176.837 176.300 0.090 0.000 1.063 280 D CA 0.287 54.329 54.000 0.070 0.000 0.847 280 D CB 0.388 41.222 40.800 0.056 0.000 0.933 280 D HN 0.264 nan 8.370 nan 0.000 0.513 281 S N -0.542 115.245 115.700 0.146 0.000 2.632 281 S HA 0.523 4.993 4.470 0.000 0.000 0.267 281 S C 0.267 174.954 174.600 0.145 0.000 1.276 281 S CA -0.586 57.703 58.200 0.148 0.000 0.998 281 S CB 1.776 65.086 63.200 0.182 0.000 0.953 281 S HN -0.139 nan 8.310 nan 0.000 0.547 282 S N 2.811 118.519 115.700 0.013 0.000 2.539 282 S HA 0.396 4.866 4.470 0.000 0.000 0.235 282 S C -2.660 171.839 174.600 -0.168 0.000 1.326 282 S CA -0.897 57.261 58.200 -0.070 0.000 1.183 282 S CB 0.890 64.071 63.200 -0.032 0.000 1.073 282 S HN 0.704 nan 8.310 nan 0.000 0.480 283 P HA 0.110 nan 4.420 nan 0.000 0.276 283 P C -0.496 176.664 177.300 -0.233 0.000 1.230 283 P CA -0.276 62.617 63.100 -0.346 0.000 0.776 283 P CB 0.364 31.685 31.700 -0.631 0.000 0.888 284 H N 2.660 121.611 119.070 -0.199 0.000 3.091 284 H HA 0.337 4.893 4.556 0.000 0.000 0.289 284 H C -0.530 174.670 175.328 -0.214 0.000 0.995 284 H CA 0.218 56.170 56.048 -0.159 0.000 1.461 284 H CB -0.210 29.496 29.762 -0.093 0.000 1.510 284 H HN 0.491 nan 8.280 nan 0.000 0.546 285 A N 5.001 127.407 122.820 -0.689 0.000 2.605 285 A HA 0.480 4.800 4.320 0.000 0.000 0.293 285 A C -0.359 176.748 177.584 -0.794 0.000 1.216 285 A CA -0.158 51.375 52.037 -0.839 0.000 0.742 285 A CB 0.311 18.663 19.000 -1.079 0.000 1.170 285 A HN 0.819 nan 8.150 nan 0.000 0.443 286 T N -0.762 113.511 114.554 -0.468 0.000 2.916 286 T HA 0.682 5.032 4.350 0.000 0.000 0.292 286 T C -2.466 172.429 174.700 0.326 0.000 1.055 286 T CA -1.937 60.126 62.100 -0.062 0.000 1.009 286 T CB 1.822 70.646 68.868 -0.074 0.000 1.118 286 T HN 0.007 nan 8.240 nan 0.000 0.497 287 P HA -0.064 nan 4.420 nan 0.000 0.218 287 P C 0.899 178.444 177.300 0.408 0.000 1.146 287 P CA 1.072 64.424 63.100 0.421 0.000 0.813 287 P CB 0.156 32.001 31.700 0.242 0.000 0.778 288 E N -0.905 119.463 120.200 0.280 0.000 2.042 288 E HA -0.023 4.327 4.350 0.000 0.000 0.189 288 E C 0.666 177.364 176.600 0.164 0.000 0.974 288 E CA 0.988 57.512 56.400 0.208 0.000 0.806 288 E CB -0.264 29.531 29.700 0.159 0.000 0.769 288 E HN 0.131 nan 8.360 nan 0.000 0.451 289 E N -0.569 119.729 120.200 0.164 0.000 2.241 289 E HA 0.228 4.578 4.350 0.000 0.000 0.263 289 E C -1.389 175.266 176.600 0.090 0.000 0.882 289 E CA -0.691 55.762 56.400 0.088 0.000 0.769 289 E CB 0.689 30.503 29.700 0.189 0.000 1.185 289 E HN 0.188 nan 8.360 nan 0.000 0.415 290 Y N 2.079 122.427 120.300 0.081 0.000 2.863 290 Y HA 0.277 4.827 4.550 0.000 0.000 0.254 290 Y C 1.018 176.977 175.900 0.098 0.000 1.124 290 Y CA 0.108 58.183 58.100 -0.041 0.000 1.203 290 Y CB -0.632 37.757 38.460 -0.118 0.000 1.269 290 Y HN 0.305 nan 8.280 nan 0.000 0.586 291 S N -0.376 115.384 115.700 0.100 0.000 2.419 291 S HA -0.318 4.152 4.470 0.000 0.000 0.235 291 S C 1.764 176.513 174.600 0.248 0.000 1.019 291 S CA 1.636 59.987 58.200 0.252 0.000 0.982 291 S CB -0.305 62.939 63.200 0.073 0.000 0.789 291 S HN 0.693 nan 8.310 nan 0.000 0.490 292 Q N 0.683 120.552 119.800 0.114 0.000 2.226 292 Q HA -0.064 4.276 4.340 0.000 0.000 0.204 292 Q C 1.925 177.898 176.000 -0.045 0.000 0.975 292 Q CA 1.402 57.225 55.803 0.034 0.000 0.866 292 Q CB -0.280 28.457 28.738 -0.002 0.000 0.915 292 Q HN 0.580 nan 8.270 nan 0.000 0.440 293 V N 0.165 120.024 119.914 -0.092 0.000 2.358 293 V HA -0.228 3.893 4.120 0.000 0.000 0.246 293 V C 1.766 177.796 176.094 -0.107 0.000 1.047 293 V CA 1.589 63.738 62.300 -0.252 0.000 1.035 293 V CB -0.668 30.960 31.823 -0.325 0.000 0.658 293 V HN 0.332 nan 8.190 nan 0.000 0.452 294 F N 0.399 120.400 119.950 0.085 0.000 2.134 294 F HA -0.070 4.457 4.527 0.000 0.000 0.299 294 F C 1.657 177.498 175.800 0.069 0.000 1.097 294 F CA 0.828 58.888 58.000 0.100 0.000 1.264 294 F CB -0.471 38.593 39.000 0.107 0.000 1.001 294 F HN 0.194 nan 8.300 nan 0.000 0.479 298 L N -0.536 120.796 121.223 0.182 0.000 2.240 298 L HA 0.174 4.514 4.340 0.000 0.000 0.211 298 L C 1.791 178.773 176.870 0.188 0.000 1.106 298 L CA 1.270 56.209 54.840 0.166 0.000 0.793 298 L CB -0.354 41.788 42.059 0.137 0.000 0.927 298 L HN 0.438 nan 8.230 nan 0.000 0.446 299 G N -1.200 107.705 108.800 0.175 0.000 2.756 299 G HA2 0.456 4.416 3.960 0.000 0.000 0.203 299 G HA3 0.456 4.416 3.960 0.000 0.000 0.203 299 G C 0.578 175.656 174.900 0.296 0.000 2.015 299 G CA 0.497 45.706 45.100 0.182 0.000 0.835 299 G HN 0.436 nan 8.290 nan 0.000 0.648 300 G N -0.339 108.587 108.800 0.210 0.000 2.645 300 G HA2 -0.129 3.831 3.960 0.000 0.000 0.239 300 G HA3 -0.129 3.831 3.960 0.000 0.000 0.239 300 G C -0.779 174.206 174.900 0.141 0.000 1.331 300 G CA 0.315 45.525 45.100 0.183 0.000 0.890 300 G HN 0.799 nan 8.290 nan 0.000 0.572 301 D N 0.745 121.186 120.400 0.068 0.000 2.427 301 D HA 0.530 5.170 4.640 0.000 0.000 0.226 301 D C -1.089 175.181 176.300 -0.051 0.000 1.076 301 D CA -1.962 52.053 54.000 0.024 0.000 0.849 301 D CB 1.412 42.221 40.800 0.015 0.000 1.052 301 D HN -0.010 nan 8.370 nan 0.000 0.515 302 P HA -0.168 nan 4.420 nan 0.000 0.218 302 P C 1.350 178.541 177.300 -0.182 0.000 1.146 302 P CA 1.049 63.996 63.100 -0.254 0.000 0.813 302 P CB 0.180 31.697 31.700 -0.305 0.000 0.778 303 S N -1.216 114.421 115.700 -0.105 0.000 2.469 303 S HA -0.080 4.390 4.470 0.000 0.000 0.238 303 S C 1.300 175.881 174.600 -0.031 0.000 0.998 303 S CA 1.183 59.340 58.200 -0.071 0.000 0.957 303 S CB -1.235 61.942 63.200 -0.039 0.000 0.764 303 S HN 0.174 nan 8.310 nan 0.000 0.514 304 V N -2.257 117.636 119.914 -0.035 0.000 2.991 304 V HA 0.597 4.717 4.120 0.000 0.000 0.355 304 V C -0.404 175.684 176.094 -0.010 0.000 1.384 304 V CA -0.898 61.403 62.300 0.002 0.000 1.171 304 V CB -0.323 31.494 31.823 -0.010 0.000 1.190 304 V HN 0.151 nan 8.190 nan 0.000 0.540 305 R N 0.760 121.239 120.500 -0.034 0.000 2.561 305 R HA 0.387 4.728 4.340 0.000 0.000 0.297 305 R C -1.602 174.699 176.300 0.002 0.000 0.969 305 R CA -0.527 55.551 56.100 -0.037 0.000 0.879 305 R CB 2.144 32.367 30.300 -0.128 0.000 1.178 305 R HN 0.620 nan 8.270 nan 0.000 0.445 306 W N 4.025 125.266 121.300 -0.098 0.000 2.313 306 W HA 0.205 4.865 4.660 0.000 0.000 0.315 306 W C 0.651 177.130 176.519 -0.068 0.000 0.917 306 W CA -0.582 56.716 57.345 -0.080 0.000 1.626 306 W CB 1.253 30.707 29.460 -0.009 0.000 1.574 306 W HN 0.919 nan 8.180 nan 0.000 0.395 307 G N 2.043 110.697 108.800 -0.243 0.000 2.517 307 G HA2 -0.348 3.612 3.960 0.000 0.000 0.222 307 G HA3 -0.348 3.612 3.960 0.000 0.000 0.222 307 G C 1.009 175.875 174.900 -0.057 0.000 1.109 307 G CA 1.130 46.133 45.100 -0.161 0.000 0.746 307 G HN 0.389 nan 8.290 nan 0.000 0.576 308 D N -0.126 120.246 120.400 -0.047 0.000 2.317 308 D HA 0.043 4.683 4.640 0.000 0.000 0.211 308 D C 1.232 177.685 176.300 0.254 0.000 0.966 308 D CA 0.465 54.553 54.000 0.146 0.000 0.876 308 D CB 0.100 41.059 40.800 0.266 0.000 0.927 308 D HN 0.172 nan 8.370 nan 0.000 0.519 309 K N 0.877 121.492 120.400 0.357 0.000 2.401 309 K HA 0.027 4.347 4.320 0.000 0.000 0.278 309 K C 1.301 177.981 176.600 0.133 0.000 1.018 309 K CA 0.007 56.461 56.287 0.277 0.000 0.981 309 K CB 0.844 33.519 32.500 0.291 0.000 0.933 309 K HN -0.113 nan 8.250 nan 0.000 0.477 310 S N 3.474 119.223 115.700 0.081 0.000 2.402 310 S HA -0.143 4.327 4.470 0.000 0.000 0.229 310 S C 0.309 175.009 174.600 0.165 0.000 1.021 310 S CA 0.644 58.832 58.200 -0.019 0.000 0.974 310 S CB -0.277 62.761 63.200 -0.269 0.000 0.800 310 S HN 0.607 nan 8.310 nan 0.000 0.484 311 Y N 1.894 122.215 120.300 0.034 0.000 2.333 311 Y HA 0.519 5.069 4.550 0.000 0.000 0.324 311 Y C -1.002 174.955 175.900 0.095 0.000 1.033 311 Y CA -1.662 56.460 58.100 0.038 0.000 1.224 311 Y CB 0.950 39.398 38.460 -0.021 0.000 1.120 311 Y HN 0.270 nan 8.280 nan 0.000 0.457 312 N N 7.141 125.715 118.700 -0.209 0.000 2.564 312 N HA 0.334 5.075 4.740 0.000 0.000 0.248 312 N C -1.486 173.820 175.510 -0.341 0.000 0.986 312 N CA -0.428 52.528 53.050 -0.158 0.000 0.921 312 N CB 0.817 39.284 38.487 -0.033 0.000 1.136 312 N HN 0.680 nan 8.380 nan 0.000 0.509 313 L N 5.035 126.035 121.223 -0.372 0.000 2.360 313 L HA 0.328 4.669 4.340 0.000 0.000 0.276 313 L C -0.566 176.195 176.870 -0.183 0.000 1.121 313 L CA -0.328 54.338 54.840 -0.291 0.000 0.845 313 L CB 0.490 42.484 42.059 -0.110 0.000 1.143 313 L HN 0.539 nan 8.230 nan 0.000 0.452 314 I N 3.555 124.024 120.570 -0.168 0.000 2.377 314 I HA 0.245 4.415 4.170 0.000 0.000 0.293 314 I C 0.163 176.097 176.117 -0.305 0.000 0.987 314 I CA -0.279 60.824 61.300 -0.329 0.000 1.185 314 I CB 1.513 39.290 38.000 -0.372 0.000 1.341 314 I HN 0.434 nan 8.210 nan 0.000 0.455 315 S N 6.419 121.796 115.700 -0.539 0.000 2.530 315 S HA 0.681 5.151 4.470 0.000 0.000 0.322 315 S C -0.844 173.372 174.600 -0.640 0.000 1.085 315 S CA -0.378 57.522 58.200 -0.500 0.000 1.096 315 S CB 0.327 63.403 63.200 -0.207 0.000 0.988 315 S HN 0.269 nan 8.310 nan 0.000 0.466 316 F N 2.526 122.221 119.950 -0.425 0.000 2.403 316 F HA 0.556 5.083 4.527 0.000 0.000 0.326 316 F C 1.635 177.276 175.800 -0.264 0.000 1.081 316 F CA -0.521 57.314 58.000 -0.275 0.000 1.041 316 F CB 0.929 39.789 39.000 -0.233 0.000 1.234 316 F HN 0.714 nan 8.300 nan 0.000 0.503 317 A N 1.192 124.046 122.820 0.056 0.000 2.024 317 A HA -0.219 4.101 4.320 0.000 0.000 0.220 317 A C 1.457 179.012 177.584 -0.047 0.000 1.164 317 A CA 1.807 53.839 52.037 -0.009 0.000 0.643 317 A CB -0.999 18.019 19.000 0.030 0.000 0.806 317 A HN 0.754 nan 8.150 nan 0.000 0.451 318 N N -0.974 117.698 118.700 -0.047 0.000 2.346 318 N HA 0.300 5.040 4.740 0.000 0.000 0.225 318 N C 0.826 176.278 175.510 -0.097 0.000 1.144 318 N CA 0.546 53.556 53.050 -0.067 0.000 0.837 318 N CB -0.525 37.921 38.487 -0.069 0.000 1.069 318 N HN 0.655 nan 8.380 nan 0.000 0.487 319 G N -0.213 108.484 108.800 -0.171 0.000 2.153 319 G HA2 -0.237 3.723 3.960 0.000 0.000 0.252 319 G HA3 -0.237 3.723 3.960 0.000 0.000 0.252 319 G C -0.303 174.461 174.900 -0.227 0.000 0.994 319 G CA 0.162 45.129 45.100 -0.221 0.000 0.698 319 G HN 0.349 nan 8.290 nan 0.000 0.521 320 I N -0.260 120.147 120.570 -0.271 0.000 2.488 320 I HA 0.742 4.912 4.170 0.000 0.000 0.299 320 I C 0.332 176.293 176.117 -0.260 0.000 0.984 320 I CA -1.011 60.241 61.300 -0.079 0.000 1.250 320 I CB 1.097 39.038 38.000 -0.098 0.000 1.389 320 I HN -0.026 nan 8.210 nan 0.000 0.488 321 F N 1.583 121.714 119.950 0.302 0.000 2.620 321 F HA 0.809 5.336 4.527 0.000 0.000 0.320 321 F C 0.556 176.466 175.800 0.184 0.000 1.069 321 F CA -0.540 57.607 58.000 0.245 0.000 0.953 321 F CB 2.366 41.523 39.000 0.262 0.000 1.322 321 F HN 0.501 nan 8.300 nan 0.000 0.479 322 G N -0.456 108.532 108.800 0.313 0.000 2.623 322 G HA2 0.534 4.494 3.960 0.000 0.000 0.290 322 G HA3 0.534 4.494 3.960 0.000 0.000 0.290 322 G C -2.367 172.574 174.900 0.069 0.000 1.437 322 G CA -0.757 44.444 45.100 0.169 0.000 0.798 322 G HN 0.785 nan 8.290 nan 0.000 0.488 323 C N -0.308 119.014 119.300 0.037 0.000 2.455 323 C HA 0.762 5.222 4.460 0.000 0.000 0.320 323 C C 0.156 175.130 174.990 -0.028 0.000 1.226 323 C CA -0.684 58.306 59.018 -0.047 0.000 1.569 323 C CB 0.511 28.279 27.740 0.046 0.000 2.200 323 C HN 0.872 nan 8.230 nan 0.000 0.491 324 C N 3.405 122.644 119.300 -0.101 0.000 2.340 324 C HA 0.829 5.290 4.460 0.000 0.000 0.323 324 C C -0.267 174.616 174.990 -0.178 0.000 1.260 324 C CA -0.177 58.780 59.018 -0.101 0.000 1.464 324 C CB -1.526 26.178 27.740 -0.059 0.000 2.156 324 C HN 1.012 nan 8.230 nan 0.000 0.476 325 C N 4.253 123.318 119.300 -0.392 0.000 2.561 325 C HA 0.530 4.991 4.460 0.000 0.000 0.319 325 C C -0.278 174.403 174.990 -0.514 0.000 1.198 325 C CA -0.392 58.340 59.018 -0.476 0.000 1.665 325 C CB 1.400 28.686 27.740 -0.758 0.000 2.258 325 C HN 0.884 nan 8.230 nan 0.000 0.493 326 D N 0.377 120.657 120.400 -0.199 0.000 2.383 326 D HA 0.042 4.682 4.640 0.000 0.000 0.252 326 D C 1.020 177.276 176.300 -0.072 0.000 1.166 326 D CA 0.447 54.385 54.000 -0.104 0.000 0.879 326 D CB 0.429 41.207 40.800 -0.037 0.000 1.164 326 D HN 0.661 nan 8.370 nan 0.000 0.462 327 H N 3.760 122.753 119.070 -0.127 0.000 2.529 327 H HA 0.124 4.680 4.556 0.000 0.000 0.277 327 H C 1.580 176.617 175.328 -0.484 0.000 0.999 327 H CA 1.115 57.156 56.048 -0.011 0.000 1.256 327 H CB 0.114 29.997 29.762 0.201 0.000 1.402 327 H HN 0.526 nan 8.280 nan 0.000 0.566 328 A N 1.869 124.407 122.820 -0.471 0.000 1.865 328 A HA -0.104 4.216 4.320 0.000 0.000 0.217 328 A C -0.001 177.368 177.584 -0.359 0.000 1.191 328 A CA 1.693 53.274 52.037 -0.760 0.000 0.623 328 A CB -1.372 17.462 19.000 -0.278 0.000 0.826 328 A HN 0.449 nan 8.150 nan 0.000 0.444 329 P HA 0.033 nan 4.420 nan 0.000 0.227 329 P C -0.354 176.947 177.300 0.002 0.000 1.161 329 P CA 1.201 64.214 63.100 -0.146 0.000 0.788 329 P CB 0.109 31.624 31.700 -0.308 0.000 0.822 330 Y N -2.568 117.728 120.300 -0.006 0.000 2.713 330 Y HA 0.580 5.130 4.550 0.000 0.000 0.335 330 Y C -1.059 174.938 175.900 0.161 0.000 1.222 330 Y CA -2.905 55.216 58.100 0.036 0.000 1.061 330 Y CB -0.544 37.877 38.460 -0.064 0.000 1.314 330 Y HN -0.322 nan 8.280 nan 0.000 0.453 331 D N 0.748 121.241 120.400 0.154 0.000 2.385 331 D HA 0.618 5.258 4.640 0.000 0.000 0.254 331 D C 0.319 176.299 176.300 -0.533 0.000 1.053 331 D CA -0.163 53.799 54.000 -0.064 0.000 0.992 331 D CB 2.143 42.977 40.800 0.057 0.000 1.145 331 D HN 0.887 nan 8.370 nan 0.000 0.523 337 N N 0.592 119.302 118.700 0.017 0.000 2.069 337 N HA -0.112 4.628 4.740 0.000 0.000 0.191 337 N C 1.779 177.303 175.510 0.022 0.000 1.031 337 N CA 2.211 55.353 53.050 0.153 0.000 0.852 337 N CB 0.265 38.992 38.487 0.402 0.000 1.018 337 N HN 0.590 nan 8.380 nan 0.000 0.423 338 I N 1.148 121.554 120.570 -0.273 0.000 2.252 338 I HA -0.201 3.969 4.170 0.000 0.000 0.245 338 I C 2.248 178.253 176.117 -0.187 0.000 1.102 338 I CA 0.908 61.801 61.300 -0.677 0.000 1.385 338 I CB -0.103 37.367 38.000 -0.883 0.000 1.064 338 I HN 0.011 nan 8.210 nan 0.000 0.414 339 A N -0.070 122.715 122.820 -0.059 0.000 1.940 339 A HA -0.339 3.981 4.320 0.000 0.000 0.219 339 A C 2.135 179.773 177.584 0.089 0.000 1.176 339 A CA 2.241 54.307 52.037 0.049 0.000 0.631 339 A CB -1.101 17.921 19.000 0.036 0.000 0.814 339 A HN 0.727 nan 8.150 nan 0.000 0.446 340 H N -2.285 116.788 119.070 0.005 0.000 2.363 340 H HA -0.167 4.389 4.556 0.000 0.000 0.301 340 H C 1.823 177.172 175.328 0.035 0.000 1.074 340 H CA 1.964 58.023 56.048 0.017 0.000 1.354 340 H CB -0.509 29.264 29.762 0.018 0.000 1.397 340 H HN 0.543 nan 8.280 nan 0.000 0.516 341 Y N 0.509 120.747 120.300 -0.103 0.000 2.114 341 Y HA -0.260 4.290 4.550 0.000 0.000 0.282 341 Y C 2.337 178.128 175.900 -0.182 0.000 1.165 341 Y CA 2.123 60.153 58.100 -0.116 0.000 1.148 341 Y CB -0.763 37.705 38.460 0.012 0.000 0.972 341 Y HN 0.123 nan 8.280 nan 0.000 0.504 342 V N 0.642 120.488 119.914 -0.113 0.000 2.343 342 V HA -0.298 3.822 4.120 0.000 0.000 0.247 342 V C 2.098 177.968 176.094 -0.373 0.000 1.051 342 V CA 2.267 64.436 62.300 -0.220 0.000 1.036 342 V CB -0.864 31.018 31.823 0.097 0.000 0.654 342 V HN 0.446 nan 8.190 nan 0.000 0.451 343 D N -0.047 120.262 120.400 -0.153 0.000 2.149 343 D HA -0.192 4.448 4.640 0.000 0.000 0.198 343 D C 2.189 178.280 176.300 -0.348 0.000 0.990 343 D CA 1.475 55.400 54.000 -0.125 0.000 0.839 343 D CB -0.028 40.798 40.800 0.043 0.000 0.948 343 D HN 0.568 nan 8.370 nan 0.000 0.460 344 E N -0.570 119.335 120.200 -0.491 0.000 2.072 344 E HA -0.120 4.230 4.350 0.000 0.000 0.190 344 E C 2.281 178.601 176.600 -0.466 0.000 0.982 344 E CA 0.413 56.534 56.400 -0.466 0.000 0.803 344 E CB 0.089 29.497 29.700 -0.485 0.000 0.755 344 E HN 0.205 nan 8.360 nan 0.000 0.453 345 R N 0.671 120.785 120.500 -0.645 0.000 2.081 345 R HA -0.087 4.253 4.340 0.000 0.000 0.235 345 R C 2.427 178.378 176.300 -0.581 0.000 1.131 345 R CA 0.752 56.430 56.100 -0.702 0.000 0.960 345 R CB -0.962 28.610 30.300 -1.213 0.000 0.856 345 R HN 0.122 nan 8.270 nan 0.000 0.436 346 V N 1.699 121.230 119.914 -0.637 0.000 2.407 346 V HA -0.204 3.916 4.120 0.000 0.000 0.248 346 V C 2.521 178.403 176.094 -0.352 0.000 1.055 346 V CA 1.435 63.403 62.300 -0.553 0.000 1.049 346 V CB -0.458 30.812 31.823 -0.922 0.000 0.662 346 V HN 0.188 nan 8.190 nan 0.000 0.455 347 L N -0.389 120.661 121.223 -0.288 0.000 2.027 347 L HA -0.174 4.166 4.340 0.000 0.000 0.206 347 L C 2.607 179.369 176.870 -0.181 0.000 1.074 347 L CA 1.713 56.451 54.840 -0.171 0.000 0.745 347 L CB -0.572 41.325 42.059 -0.270 0.000 0.898 347 L HN 0.369 nan 8.230 nan 0.000 0.433 348 E N -0.694 119.380 120.200 -0.210 0.000 2.204 348 E HA -0.184 4.166 4.350 0.000 0.000 0.195 348 E C 1.707 178.204 176.600 -0.171 0.000 0.990 348 E CA 1.701 58.004 56.400 -0.163 0.000 0.821 348 E CB -0.089 29.523 29.700 -0.147 0.000 0.750 348 E HN 0.566 nan 8.360 nan 0.000 0.477 349 T N -2.305 112.128 114.554 -0.202 0.000 3.105 349 T HA 0.136 4.486 4.350 0.000 0.000 0.253 349 T C 0.279 174.802 174.700 -0.295 0.000 1.047 349 T CA -0.160 61.842 62.100 -0.163 0.000 0.944 349 T CB 0.034 68.894 68.868 -0.014 0.000 1.016 349 T HN 0.107 nan 8.240 nan 0.000 0.544 350 E N 0.562 120.398 120.200 -0.607 0.000 2.586 350 E HA -0.204 4.146 4.350 0.000 0.000 0.259 350 E C 0.886 177.065 176.600 -0.701 0.000 1.107 350 E CA 0.325 55.979 56.400 -1.243 0.000 0.754 350 E CB -1.900 27.380 29.700 -0.699 0.000 1.335 350 E HN 0.939 nan 8.360 nan 0.000 0.411 351 G N 0.191 108.755 108.800 -0.394 0.000 2.249 351 G HA2 -0.367 3.593 3.960 0.000 0.000 0.273 351 G HA3 -0.367 3.593 3.960 0.000 0.000 0.273 351 G C 0.061 175.176 174.900 0.358 0.000 1.036 351 G CA 1.066 46.160 45.100 -0.012 0.000 0.824 351 G HN 0.308 nan 8.290 nan 0.000 0.504 352 R N -1.577 119.023 120.500 0.168 0.000 2.808 352 R HA 0.541 4.881 4.340 0.000 0.000 0.272 352 R C -0.697 175.725 176.300 0.203 0.000 0.995 352 R CA -0.959 55.258 56.100 0.194 0.000 0.917 352 R CB 1.484 31.831 30.300 0.079 0.000 1.217 352 R HN 0.290 nan 8.270 nan 0.000 0.471 353 W N 3.746 125.046 121.300 -0.000 0.000 2.291 353 W HA 0.303 4.963 4.660 0.000 0.000 0.312 353 W C -0.887 175.587 176.519 -0.075 0.000 1.061 353 W CA -0.524 56.771 57.345 -0.083 0.000 1.296 353 W CB 1.008 30.372 29.460 -0.160 0.000 1.223 353 W HN 0.576 nan 8.180 nan 0.000 0.421 354 K N 4.158 124.126 120.400 -0.719 0.000 2.498 354 K HA 0.221 4.541 4.320 0.000 0.000 0.207 354 K C 0.912 176.985 176.600 -0.878 0.000 1.033 354 K CA -0.229 55.689 56.287 -0.616 0.000 1.138 354 K CB 1.106 33.402 32.500 -0.340 0.000 0.860 354 K HN 0.460 nan 8.250 nan 0.000 0.490 355 G N 0.453 108.176 108.800 -1.795 0.000 2.583 355 G HA2 0.081 4.041 3.960 0.000 0.000 0.280 355 G HA3 0.081 4.041 3.960 0.000 0.000 0.280 355 G C -0.589 174.051 174.900 -0.433 0.000 1.376 355 G CA -0.491 43.861 45.100 -1.247 0.000 1.043 355 G HN 0.099 nan 8.290 nan 0.000 0.538 356 S N -1.170 114.537 115.700 0.012 0.000 2.552 356 S HA 0.011 4.481 4.470 0.000 0.000 0.289 356 S C 0.977 175.755 174.600 0.295 0.000 1.304 356 S CA 0.182 58.464 58.200 0.136 0.000 1.063 356 S CB 0.459 63.738 63.200 0.132 0.000 0.848 356 S HN 0.526 nan 8.310 nan 0.000 0.499 357 E N 1.861 122.154 120.200 0.155 0.000 2.479 357 E HA 0.056 4.406 4.350 0.000 0.000 0.193 357 E C 0.061 176.699 176.600 0.064 0.000 1.049 357 E CA -0.050 56.432 56.400 0.136 0.000 0.870 357 E CB 0.273 30.019 29.700 0.077 0.000 0.944 357 E HN 0.465 nan 8.360 nan 0.000 0.492 358 K N 1.142 121.578 120.400 0.059 0.000 2.414 358 K HA 0.113 4.433 4.320 0.000 0.000 0.272 358 K C -0.185 176.406 176.600 -0.014 0.000 0.993 358 K CA 0.076 56.376 56.287 0.021 0.000 0.964 358 K CB 1.392 33.910 32.500 0.030 0.000 0.925 358 K HN -0.161 nan 8.250 nan 0.000 0.487 359 V N 4.615 124.507 119.914 -0.036 0.000 2.357 359 V HA 0.222 4.342 4.120 0.000 0.000 0.281 359 V C 0.391 176.438 176.094 -0.079 0.000 1.015 359 V CA -0.767 61.487 62.300 -0.076 0.000 0.827 359 V CB 1.066 32.837 31.823 -0.087 0.000 1.018 359 V HN 0.643 nan 8.190 nan 0.000 0.432 360 R N 1.669 122.114 120.500 -0.091 0.000 2.827 360 R HA 0.128 4.468 4.340 0.000 0.000 0.269 360 R C 0.126 176.330 176.300 -0.159 0.000 1.048 360 R CA -0.341 55.702 56.100 -0.094 0.000 1.173 360 R CB 0.553 30.805 30.300 -0.079 0.000 1.070 360 R HN 0.660 nan 8.270 nan 0.000 0.498 361 D N 2.288 122.619 120.400 -0.115 0.000 2.551 361 D HA 0.103 4.743 4.640 0.000 0.000 0.223 361 D C -0.267 175.920 176.300 -0.188 0.000 1.144 361 D CA -0.176 53.754 54.000 -0.116 0.000 1.025 361 D CB -0.285 40.490 40.800 -0.041 0.000 1.085 361 D HN 0.321 nan 8.370 nan 0.000 0.506 362 I N -0.667 119.723 120.570 -0.301 0.000 2.566 362 I HA 0.646 4.816 4.170 0.000 0.000 0.303 362 I C -2.162 173.841 176.117 -0.190 0.000 0.983 362 I CA -2.511 58.587 61.300 -0.337 0.000 1.235 362 I CB 0.979 38.718 38.000 -0.434 0.000 1.386 362 I HN -0.025 nan 8.210 nan 0.000 0.494 363 P HA 0.169 nan 4.420 nan 0.000 0.266 363 P C -0.588 176.603 177.300 -0.182 0.000 1.195 363 P CA -0.007 63.032 63.100 -0.101 0.000 0.768 363 P CB 0.498 32.182 31.700 -0.028 0.000 0.838 364 L N 4.855 125.932 121.223 -0.243 0.000 2.453 364 L HA 0.274 4.614 4.340 0.000 0.000 0.261 364 L C -1.843 174.865 176.870 -0.269 0.000 1.179 364 L CA -1.947 52.637 54.840 -0.427 0.000 0.813 364 L CB 0.004 41.669 42.059 -0.657 0.000 1.110 364 L HN 0.262 nan 8.230 nan 0.000 0.466 365 P HA 0.024 nan 4.420 nan 0.000 0.266 365 P C -1.204 176.226 177.300 0.216 0.000 1.195 365 P CA 0.114 63.272 63.100 0.096 0.000 0.768 365 P CB 0.402 32.208 31.700 0.176 0.000 0.838 366 E N 1.189 121.538 120.200 0.248 0.000 2.191 366 E HA 0.203 4.553 4.350 0.000 0.000 0.278 366 E C -0.303 176.419 176.600 0.203 0.000 0.972 366 E CA -0.743 55.767 56.400 0.184 0.000 0.804 366 E CB 1.368 31.105 29.700 0.061 0.000 1.110 366 E HN 0.439 nan 8.360 nan 0.000 0.394 367 E N 3.468 123.732 120.200 0.106 0.000 2.301 367 E HA 0.181 4.531 4.350 0.000 0.000 0.275 367 E C -0.925 175.531 176.600 -0.238 0.000 1.030 367 E CA -0.522 55.722 56.400 -0.260 0.000 0.852 367 E CB 0.698 30.163 29.700 -0.391 0.000 1.060 367 E HN 0.402 nan 8.360 nan 0.000 0.401 368 L N 4.916 125.953 121.223 -0.311 0.000 2.270 368 L HA 0.272 4.612 4.340 0.000 0.000 0.286 368 L C -0.795 175.899 176.870 -0.294 0.000 1.059 368 L CA -0.885 53.766 54.840 -0.314 0.000 0.839 368 L CB 1.010 42.880 42.059 -0.316 0.000 1.221 368 L HN 0.373 nan 8.230 nan 0.000 0.431 369 V N 3.940 123.701 119.914 -0.255 0.000 2.320 369 V HA 0.225 4.345 4.120 0.000 0.000 0.265 369 V C 0.200 176.216 176.094 -0.129 0.000 1.048 369 V CA -0.332 61.894 62.300 -0.124 0.000 0.865 369 V CB 0.071 31.846 31.823 -0.079 0.000 1.043 369 V HN 0.346 nan 8.190 nan 0.000 0.474 370 F N 2.173 122.113 119.950 -0.018 0.000 2.471 370 F HA 0.254 4.781 4.527 0.000 0.000 0.353 370 F C 1.347 177.160 175.800 0.021 0.000 1.113 370 F CA 0.135 58.145 58.000 0.017 0.000 1.262 370 F CB 0.716 39.748 39.000 0.052 0.000 1.146 370 F HN 0.304 nan 8.300 nan 0.000 0.578 371 T N 4.036 118.707 114.554 0.196 0.000 2.737 371 T HA 0.497 4.847 4.350 0.000 0.000 0.296 371 T C -0.265 174.531 174.700 0.159 0.000 0.922 371 T CA -0.475 61.700 62.100 0.126 0.000 1.079 371 T CB 0.259 69.171 68.868 0.072 0.000 0.892 371 T HN 0.489 nan 8.240 nan 0.000 0.514 372 V N 1.120 121.114 119.914 0.132 0.000 3.102 372 V HA 0.966 5.086 4.120 0.000 0.000 0.312 372 V C -1.041 175.120 176.094 0.111 0.000 1.135 372 V CA -1.255 61.125 62.300 0.133 0.000 1.022 372 V CB 2.496 34.388 31.823 0.115 0.000 1.056 372 V HN 0.790 nan 8.190 nan 0.000 0.436 373 D N -0.600 119.879 120.400 0.131 0.000 2.758 373 D HA 0.314 4.954 4.640 0.000 0.000 0.279 373 D C 0.758 177.109 176.300 0.085 0.000 1.111 373 D CA -0.060 54.007 54.000 0.112 0.000 1.109 373 D CB 1.289 42.179 40.800 0.149 0.000 1.428 373 D HN 0.667 nan 8.370 nan 0.000 0.586 374 E N -0.296 119.943 120.200 0.065 0.000 2.110 374 E HA -0.237 4.113 4.350 0.000 0.000 0.193 374 E C 1.643 178.246 176.600 0.005 0.000 0.988 374 E CA 1.145 57.564 56.400 0.032 0.000 0.804 374 E CB 0.109 29.824 29.700 0.025 0.000 0.745 374 E HN 0.417 nan 8.360 nan 0.000 0.458 375 K N 0.310 120.709 120.400 -0.002 0.000 2.025 375 K HA -0.140 4.180 4.320 0.000 0.000 0.207 375 K C 2.137 178.655 176.600 -0.137 0.000 1.049 375 K CA 1.246 57.461 56.287 -0.120 0.000 0.933 375 K CB -0.062 32.263 32.500 -0.291 0.000 0.714 375 K HN 0.143 nan 8.250 nan 0.000 0.438 376 I N 1.895 122.435 120.570 -0.050 0.000 2.208 376 I HA -0.275 3.896 4.170 0.000 0.000 0.245 376 I C 2.209 178.317 176.117 -0.015 0.000 1.097 376 I CA 1.371 62.671 61.300 -0.000 0.000 1.363 376 I CB -0.820 37.260 38.000 0.134 0.000 1.051 376 I HN 0.297 nan 8.210 nan 0.000 0.413 377 L N 0.119 121.341 121.223 -0.003 0.000 2.141 377 L HA -0.183 4.157 4.340 0.000 0.000 0.209 377 L C 2.161 179.012 176.870 -0.032 0.000 1.094 377 L CA 0.913 55.745 54.840 -0.014 0.000 0.763 377 L CB -0.643 41.417 42.059 0.002 0.000 0.908 377 L HN 0.306 nan 8.230 nan 0.000 0.437 378 N N -0.084 118.591 118.700 -0.041 0.000 2.216 378 N HA -0.141 4.600 4.740 0.000 0.000 0.183 378 N C 1.352 176.827 175.510 -0.058 0.000 1.017 378 N CA 1.097 54.118 53.050 -0.048 0.000 0.861 378 N CB -0.096 38.359 38.487 -0.053 0.000 0.986 378 N HN 0.329 nan 8.380 nan 0.000 0.428 379 D N 0.734 121.091 120.400 -0.072 0.000 2.117 379 D HA -0.061 4.579 4.640 0.000 0.000 0.198 379 D C 2.115 178.372 176.300 -0.071 0.000 0.982 379 D CA 0.510 54.468 54.000 -0.070 0.000 0.828 379 D CB -0.216 40.541 40.800 -0.071 0.000 0.967 379 D HN -0.031 nan 8.370 nan 0.000 0.464 380 V N 0.911 120.781 119.914 -0.074 0.000 2.287 380 V HA -0.248 3.872 4.120 0.000 0.000 0.248 380 V C 2.650 178.695 176.094 -0.082 0.000 1.053 380 V CA 1.961 64.203 62.300 -0.096 0.000 1.027 380 V CB -0.573 31.198 31.823 -0.086 0.000 0.646 380 V HN 0.196 nan 8.190 nan 0.000 0.447 381 S N -1.128 114.537 115.700 -0.059 0.000 2.359 381 S HA -0.324 4.146 4.470 0.000 0.000 0.224 381 S C 2.107 176.681 174.600 -0.044 0.000 1.035 381 S CA 2.286 60.459 58.200 -0.045 0.000 1.018 381 S CB -0.292 62.887 63.200 -0.035 0.000 0.876 381 S HN 0.687 nan 8.310 nan 0.000 0.448 382 Q N 0.043 119.814 119.800 -0.048 0.000 2.084 382 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 382 Q C 2.241 178.214 176.000 -0.046 0.000 0.978 382 Q CA 1.432 57.209 55.803 -0.043 0.000 0.844 382 Q CB -0.470 28.241 28.738 -0.044 0.000 0.898 382 Q HN 0.684 nan 8.270 nan 0.000 0.426 383 A N 1.201 123.979 122.820 -0.069 0.000 1.883 383 A HA -0.236 4.084 4.320 0.000 0.000 0.217 383 A C 1.959 179.505 177.584 -0.063 0.000 1.186 383 A CA 1.818 53.801 52.037 -0.091 0.000 0.624 383 A CB -0.444 18.456 19.000 -0.167 0.000 0.822 383 A HN 0.339 nan 8.150 nan 0.000 0.444 384 K N -0.315 120.045 120.400 -0.066 0.000 2.032 384 K HA -0.109 4.211 4.320 0.000 0.000 0.209 384 K C 2.358 178.970 176.600 0.019 0.000 1.048 384 K CA 1.248 57.516 56.287 -0.030 0.000 0.927 384 K CB -0.401 32.076 32.500 -0.038 0.000 0.712 384 K HN 0.444 nan 8.250 nan 0.000 0.441 385 A N 2.052 124.871 122.820 -0.001 0.000 1.883 385 A HA -0.279 4.041 4.320 0.000 0.000 0.217 385 A C 2.240 179.828 177.584 0.007 0.000 1.186 385 A CA 2.080 54.118 52.037 0.002 0.000 0.624 385 A CB -0.675 18.319 19.000 -0.011 0.000 0.822 385 A HN 0.468 nan 8.150 nan 0.000 0.444 386 Q N -0.927 118.875 119.800 0.004 0.000 2.124 386 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 386 Q C 1.942 177.952 176.000 0.016 0.000 0.977 386 Q CA 2.015 57.817 55.803 -0.003 0.000 0.850 386 Q CB -0.845 27.887 28.738 -0.011 0.000 0.901 386 Q HN 0.817 nan 8.270 nan 0.000 0.429 387 H N 0.765 119.811 119.070 -0.041 0.000 2.326 387 H HA -0.003 4.553 4.556 0.000 0.000 0.301 387 H C 1.883 177.212 175.328 0.001 0.000 1.081 387 H CA 1.682 57.714 56.048 -0.026 0.000 1.334 387 H CB 0.029 29.760 29.762 -0.051 0.000 1.385 387 H HN 0.340 nan 8.280 nan 0.000 0.504 388 L N 0.689 121.940 121.223 0.047 0.000 2.046 388 L HA -0.186 4.154 4.340 0.000 0.000 0.208 388 L C 2.935 179.786 176.870 -0.033 0.000 1.077 388 L CA 1.515 56.361 54.840 0.010 0.000 0.747 388 L CB -0.373 41.715 42.059 0.050 0.000 0.896 388 L HN 0.236 nan 8.230 nan 0.000 0.432 389 K N 0.282 120.666 120.400 -0.027 0.000 2.026 389 K HA -0.185 4.135 4.320 0.000 0.000 0.208 389 K C 2.168 178.744 176.600 -0.040 0.000 1.048 389 K CA 1.369 57.639 56.287 -0.027 0.000 0.929 389 K CB -0.100 32.383 32.500 -0.030 0.000 0.713 389 K HN 0.250 nan 8.250 nan 0.000 0.439 390 A N 1.111 123.888 122.820 -0.072 0.000 1.877 390 A HA -0.118 4.202 4.320 0.000 0.000 0.216 390 A C 2.330 179.920 177.584 0.009 0.000 1.186 390 A CA 1.970 53.959 52.037 -0.079 0.000 0.620 390 A CB -0.866 18.071 19.000 -0.105 0.000 0.822 390 A HN 0.498 nan 8.150 nan 0.000 0.443 391 A N 0.273 123.043 122.820 -0.084 0.000 1.972 391 A HA -0.069 4.251 4.320 0.000 0.000 0.219 391 A C 2.412 180.036 177.584 0.067 0.000 1.169 391 A CA 2.143 54.162 52.037 -0.029 0.000 0.635 391 A CB -0.913 17.961 19.000 -0.210 0.000 0.810 391 A HN 1.070 nan 8.150 nan 0.000 0.446 392 S N -0.556 115.170 115.700 0.044 0.000 2.474 392 S HA -0.143 4.327 4.470 0.000 0.000 0.235 392 S C 1.277 175.940 174.600 0.105 0.000 0.997 392 S CA 1.435 59.671 58.200 0.060 0.000 0.949 392 S CB -0.330 62.891 63.200 0.034 0.000 0.766 392 S HN 0.513 nan 8.310 nan 0.000 0.517 393 D N 0.173 120.676 120.400 0.173 0.000 2.340 393 D HA 0.174 4.814 4.640 0.000 0.000 0.220 393 D C 0.181 176.725 176.300 0.407 0.000 1.039 393 D CA -0.202 53.953 54.000 0.257 0.000 0.866 393 D CB -0.112 40.821 40.800 0.222 0.000 0.913 393 D HN 0.372 nan 8.370 nan 0.000 0.523 394 L N 1.453 122.862 121.223 0.310 0.000 2.331 394 L HA 0.312 4.652 4.340 0.000 0.000 0.278 394 L C -0.484 176.387 176.870 0.001 0.000 1.106 394 L CA 0.202 55.079 54.840 0.061 0.000 0.824 394 L CB 1.140 43.188 42.059 -0.018 0.000 1.142 394 L HN -0.046 nan 8.230 nan 0.000 0.443 395 Q N 5.133 124.886 119.800 -0.078 0.000 2.333 395 Q HA 0.526 4.866 4.340 0.000 0.000 0.267 395 Q C -1.691 174.268 176.000 -0.067 0.000 1.012 395 Q CA -0.765 55.014 55.803 -0.039 0.000 0.824 395 Q CB 1.532 30.261 28.738 -0.015 0.000 1.290 395 Q HN 0.603 nan 8.270 nan 0.000 0.449 396 I N 2.582 123.132 120.570 -0.032 0.000 2.498 396 I HA 0.607 4.777 4.170 0.000 0.000 0.290 396 I C -0.815 175.276 176.117 -0.045 0.000 1.032 396 I CA -0.620 60.652 61.300 -0.046 0.000 1.073 396 I CB 1.496 39.493 38.000 -0.004 0.000 1.251 396 I HN 0.740 nan 8.210 nan 0.000 0.426 397 A N 5.159 127.928 122.820 -0.084 0.000 2.319 397 A HA 0.917 5.237 4.320 0.000 0.000 0.310 397 A C -0.641 176.851 177.584 -0.154 0.000 1.152 397 A CA -0.497 51.483 52.037 -0.095 0.000 0.783 397 A CB 1.421 20.370 19.000 -0.085 0.000 1.184 397 A HN 0.841 nan 8.150 nan 0.000 0.474 398 A N 1.997 124.729 122.820 -0.146 0.000 2.374 398 A HA 0.883 5.203 4.320 0.000 0.000 0.305 398 A C -0.269 177.228 177.584 -0.144 0.000 1.053 398 A CA -0.351 51.585 52.037 -0.167 0.000 0.726 398 A CB 1.355 20.267 19.000 -0.147 0.000 1.229 398 A HN 1.106 nan 8.150 nan 0.000 0.431 399 S N -0.195 115.495 115.700 -0.016 0.000 2.625 399 S HA 0.797 5.267 4.470 0.000 0.000 0.271 399 S C -0.732 174.112 174.600 0.407 0.000 1.161 399 S CA -0.557 57.736 58.200 0.155 0.000 0.820 399 S CB 2.069 65.350 63.200 0.136 0.000 1.137 399 S HN 0.757 nan 8.310 nan 0.000 0.470 400 T N 1.917 116.750 114.554 0.465 0.000 2.824 400 T HA 0.600 4.950 4.350 0.000 0.000 0.282 400 T C -1.475 173.405 174.700 0.299 0.000 0.993 400 T CA -0.292 62.041 62.100 0.389 0.000 0.967 400 T CB 0.717 69.739 68.868 0.257 0.000 0.960 400 T HN 0.408 nan 8.240 nan 0.000 0.441 401 F N 3.623 123.554 119.950 -0.031 0.000 2.436 401 F HA 0.659 5.186 4.527 0.000 0.000 0.340 401 F C 0.473 176.134 175.800 -0.232 0.000 1.113 401 F CA -0.309 57.470 58.000 -0.368 0.000 1.022 401 F CB 1.211 39.898 39.000 -0.522 0.000 1.128 401 F HN 0.686 nan 8.300 nan 0.000 0.466 415 H N 4.295 123.529 119.070 0.273 0.000 3.094 415 H HA 0.018 4.574 4.556 0.000 0.000 0.320 415 H C -1.650 173.848 175.328 0.283 0.000 1.000 415 H CA 0.089 56.281 56.048 0.241 0.000 1.413 415 H CB 1.163 31.058 29.762 0.221 0.000 1.405 415 H HN 0.256 nan 8.280 nan 0.000 0.586 416 P HA -0.174 nan 4.420 nan 0.000 0.216 416 P C 1.014 178.388 177.300 0.123 0.000 1.150 416 P CA 1.718 64.887 63.100 0.115 0.000 0.837 416 P CB 0.259 32.038 31.700 0.132 0.000 0.786 417 D N -1.502 119.081 120.400 0.306 0.000 2.097 417 D HA -0.134 4.506 4.640 0.000 0.000 0.195 417 D C 1.681 178.019 176.300 0.063 0.000 0.989 417 D CA 1.587 55.762 54.000 0.293 0.000 0.827 417 D CB -0.581 40.508 40.800 0.483 0.000 0.966 417 D HN 0.009 nan 8.370 nan 0.000 0.456 418 T N -0.501 114.097 114.554 0.073 0.000 2.746 418 T HA -0.135 4.215 4.350 0.000 0.000 0.267 418 T C 1.586 175.951 174.700 -0.558 0.000 1.039 418 T CA 1.000 62.862 62.100 -0.395 0.000 1.142 418 T CB -0.601 68.109 68.868 -0.265 0.000 0.866 418 T HN 0.229 nan 8.240 nan 0.000 0.444 419 F N 1.714 121.475 119.950 -0.314 0.000 2.095 419 F HA -0.110 4.417 4.527 0.000 0.000 0.298 419 F C 1.973 177.663 175.800 -0.184 0.000 1.104 419 F CA 1.218 59.132 58.000 -0.144 0.000 1.232 419 F CB -0.412 38.700 39.000 0.186 0.000 0.987 419 F HN 0.086 nan 8.300 nan 0.000 0.475 420 I N -0.084 120.410 120.570 -0.126 0.000 2.226 420 I HA -0.285 3.885 4.170 0.000 0.000 0.245 420 I C 2.419 178.312 176.117 -0.374 0.000 1.100 420 I CA 0.934 62.085 61.300 -0.249 0.000 1.374 420 I CB -0.600 37.016 38.000 -0.639 0.000 1.057 420 I HN 0.239 nan 8.210 nan 0.000 0.413 421 Q N 0.543 120.096 119.800 -0.412 0.000 2.084 421 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 421 Q C 2.407 178.184 176.000 -0.371 0.000 0.978 421 Q CA 1.545 57.119 55.803 -0.382 0.000 0.844 421 Q CB -0.326 28.120 28.738 -0.487 0.000 0.898 421 Q HN 0.546 nan 8.270 nan 0.000 0.426 422 L N -0.123 120.812 121.223 -0.481 0.000 2.093 422 L HA -0.128 4.212 4.340 0.000 0.000 0.208 422 L C 2.443 179.238 176.870 -0.125 0.000 1.085 422 L CA 0.943 55.567 54.840 -0.361 0.000 0.755 422 L CB -0.593 41.027 42.059 -0.731 0.000 0.904 422 L HN 0.108 nan 8.230 nan 0.000 0.435 423 A N 0.005 122.660 122.820 -0.275 0.000 1.933 423 A HA -0.228 4.092 4.320 0.000 0.000 0.218 423 A C 2.198 179.606 177.584 -0.293 0.000 1.175 423 A CA 1.632 53.531 52.037 -0.231 0.000 0.628 423 A CB -0.622 18.184 19.000 -0.324 0.000 0.814 423 A HN 0.328 nan 8.150 nan 0.000 0.444 424 L N -0.666 120.330 121.223 -0.378 0.000 2.056 424 L HA -0.161 4.179 4.340 0.000 0.000 0.207 424 L C 2.388 179.123 176.870 -0.224 0.000 1.078 424 L CA 2.034 56.595 54.840 -0.465 0.000 0.749 424 L CB -0.657 41.033 42.059 -0.615 0.000 0.901 424 L HN 0.336 nan 8.230 nan 0.000 0.433 425 Q N -0.587 119.141 119.800 -0.119 0.000 2.030 425 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 425 Q C 2.295 178.326 176.000 0.053 0.000 0.986 425 Q CA 2.034 57.840 55.803 0.005 0.000 0.843 425 Q CB -0.846 27.919 28.738 0.045 0.000 0.904 425 Q HN 0.493 nan 8.270 nan 0.000 0.420 426 L N 0.658 121.885 121.223 0.007 0.000 2.017 426 L HA -0.119 4.221 4.340 0.000 0.000 0.208 426 L C 2.164 179.010 176.870 -0.039 0.000 1.073 426 L CA 2.247 57.027 54.840 -0.100 0.000 0.745 426 L CB -1.002 40.918 42.059 -0.231 0.000 0.894 426 L HN 0.150 nan 8.230 nan 0.000 0.432 427 A N -1.380 121.376 122.820 -0.105 0.000 1.883 427 A HA -0.318 4.002 4.320 0.000 0.000 0.217 427 A C 2.339 179.871 177.584 -0.086 0.000 1.186 427 A CA 2.045 53.993 52.037 -0.147 0.000 0.624 427 A CB -1.304 17.526 19.000 -0.283 0.000 0.822 427 A HN 0.641 nan 8.150 nan 0.000 0.444 428 Y N -1.548 118.677 120.300 -0.125 0.000 2.200 428 Y HA -0.234 4.316 4.550 0.000 0.000 0.290 428 Y C 2.220 178.160 175.900 0.066 0.000 1.137 428 Y CA 1.905 59.998 58.100 -0.012 0.000 1.163 428 Y CB -0.575 37.894 38.460 0.015 0.000 0.988 428 Y HN 0.441 nan 8.280 nan 0.000 0.518 429 Y N 0.770 121.152 120.300 0.138 0.000 2.165 429 Y HA -0.258 4.292 4.550 0.000 0.000 0.286 429 Y C 2.478 178.335 175.900 -0.071 0.000 1.155 429 Y CA 2.081 60.217 58.100 0.060 0.000 1.164 429 Y CB -0.257 38.200 38.460 -0.004 0.000 0.978 429 Y HN 0.007 nan 8.280 nan 0.000 0.513 430 R N -0.793 119.709 120.500 0.003 0.000 2.073 430 R HA -0.116 4.224 4.340 0.000 0.000 0.229 430 R C 2.073 178.238 176.300 -0.226 0.000 1.120 430 R CA 1.389 57.425 56.100 -0.106 0.000 0.967 430 R CB -0.469 29.793 30.300 -0.063 0.000 0.862 430 R HN 0.341 nan 8.270 nan 0.000 0.436 431 L N -0.163 120.871 121.223 -0.314 0.000 2.179 431 L HA -0.068 4.272 4.340 0.000 0.000 0.208 431 L C 1.307 177.742 176.870 -0.725 0.000 1.096 431 L CA 1.824 56.356 54.840 -0.513 0.000 0.779 431 L CB -0.051 41.629 42.059 -0.632 0.000 0.922 431 L HN 0.208 nan 8.230 nan 0.000 0.443 432 H N -1.303 117.523 119.070 -0.407 0.000 2.893 432 H HA 0.382 4.938 4.556 0.000 0.000 0.270 432 H C 1.336 176.495 175.328 -0.281 0.000 1.095 432 H CA 0.453 56.271 56.048 -0.384 0.000 1.186 432 H CB 0.390 29.756 29.762 -0.660 0.000 1.562 432 H HN 0.316 nan 8.280 nan 0.000 0.536 433 G N 2.399 111.038 108.800 -0.270 0.000 2.179 433 G HA2 -0.317 3.643 3.960 0.000 0.000 0.257 433 G HA3 -0.317 3.643 3.960 0.000 0.000 0.257 433 G C 0.304 175.002 174.900 -0.336 0.000 1.010 433 G CA 0.728 45.618 45.100 -0.350 0.000 0.736 433 G HN 0.633 nan 8.290 nan 0.000 0.513 434 R N -2.068 118.308 120.500 -0.208 0.000 2.664 434 R HA 0.592 4.932 4.340 0.000 0.000 0.266 434 R C -3.518 172.981 176.300 0.331 0.000 1.046 434 R CA -2.007 54.111 56.100 0.030 0.000 0.885 434 R CB 0.637 31.015 30.300 0.131 0.000 1.254 434 R HN -0.001 nan 8.270 nan 0.000 0.465 435 P HA 0.131 nan 4.420 nan 0.000 0.267 435 P C -0.375 177.125 177.300 0.332 0.000 1.205 435 P CA 0.089 63.412 63.100 0.370 0.000 0.765 435 P CB 0.912 32.703 31.700 0.153 0.000 0.828 436 G N 2.698 111.543 108.800 0.076 0.000 2.329 436 G HA2 0.380 4.340 3.960 0.000 0.000 0.309 436 G HA3 0.380 4.340 3.960 0.000 0.000 0.309 436 G C 0.072 174.943 174.900 -0.047 0.000 1.110 436 G CA -0.478 44.365 45.100 -0.429 0.000 0.923 436 G HN 0.767 nan 8.290 nan 0.000 0.430 437 C N 1.625 120.986 119.300 0.101 0.000 2.590 437 C HA 0.517 4.977 4.460 0.000 0.000 0.411 437 C C 0.929 176.080 174.990 0.269 0.000 1.420 437 C CA -1.718 57.413 59.018 0.188 0.000 1.643 437 C CB -1.200 26.362 27.740 -0.296 0.000 2.528 437 C HN 0.741 nan 8.230 nan 0.000 0.606 438 C N 5.802 125.324 119.300 0.370 0.000 2.563 438 C HA 0.731 5.191 4.460 0.000 0.000 0.314 438 C C -0.830 174.176 174.990 0.026 0.000 1.199 438 C CA -0.538 58.624 59.018 0.240 0.000 1.564 438 C CB 1.036 28.822 27.740 0.077 0.000 2.173 438 C HN 0.988 nan 8.230 nan 0.000 0.485 439 Y N 3.990 124.048 120.300 -0.402 0.000 2.331 439 Y HA 0.601 5.151 4.550 0.000 0.000 0.338 439 Y C -0.194 175.547 175.900 -0.265 0.000 0.992 439 Y CA -0.218 57.421 58.100 -0.769 0.000 1.121 439 Y CB 0.803 38.623 38.460 -1.067 0.000 1.184 439 Y HN 0.808 nan 8.280 nan 0.000 0.469 440 E N 4.379 124.361 120.200 -0.364 0.000 2.224 440 E HA 0.326 4.677 4.350 0.000 0.000 0.265 440 E C -1.070 175.401 176.600 -0.215 0.000 0.878 440 E CA -0.759 55.599 56.400 -0.070 0.000 0.759 440 E CB 1.288 31.006 29.700 0.030 0.000 1.164 440 E HN 0.696 nan 8.360 nan 0.000 0.414 441 T N 2.452 117.064 114.554 0.098 0.000 2.928 441 T HA 0.408 4.758 4.350 0.000 0.000 0.305 441 T C -0.135 174.571 174.700 0.009 0.000 1.035 441 T CA 0.194 62.361 62.100 0.112 0.000 1.145 441 T CB 1.005 70.019 68.868 0.243 0.000 0.963 441 T HN 0.542 nan 8.240 nan 0.000 0.545 445 R N -0.225 120.213 120.500 -0.103 0.000 2.357 445 R HA 0.131 4.471 4.340 0.000 0.000 0.202 445 R C 0.756 176.921 176.300 -0.226 0.000 1.047 445 R CA 0.718 56.742 56.100 -0.126 0.000 1.034 445 R CB -0.444 29.781 30.300 -0.125 0.000 0.875 445 R HN 0.464 nan 8.270 nan 0.000 0.473 446 Y N -0.529 119.583 120.300 -0.314 0.000 2.352 446 Y HA -0.067 4.483 4.550 0.000 0.000 0.292 446 Y C 0.493 176.011 175.900 -0.638 0.000 1.136 446 Y CA 0.606 58.344 58.100 -0.603 0.000 1.227 446 Y CB 0.017 37.837 38.460 -1.067 0.000 0.991 446 Y HN -0.141 nan 8.280 nan 0.000 0.545 447 F N -2.208 117.838 119.950 0.161 0.000 2.440 447 F HA 0.252 4.779 4.527 0.000 0.000 0.328 447 F C -0.008 175.889 175.800 0.163 0.000 1.070 447 F CA -2.274 55.816 58.000 0.150 0.000 1.011 447 F CB 0.022 39.095 39.000 0.121 0.000 1.226 447 F HN -0.233 nan 8.300 nan 0.000 0.491 448 Y N 2.527 122.976 120.300 0.249 0.000 2.802 448 Y HA -0.075 4.475 4.550 0.000 0.000 0.333 448 Y C 1.110 177.132 175.900 0.204 0.000 1.244 448 Y CA 0.484 58.675 58.100 0.153 0.000 1.558 448 Y CB -0.670 37.807 38.460 0.028 0.000 1.233 448 Y HN 0.690 nan 8.280 nan 0.000 0.547 449 H N 1.658 120.491 119.070 -0.394 0.000 2.822 449 H HA -0.207 4.349 4.556 0.000 0.000 0.295 449 H C 0.841 176.120 175.328 -0.081 0.000 1.151 449 H CA -0.136 55.725 56.048 -0.311 0.000 1.151 449 H CB -1.152 28.335 29.762 -0.460 0.000 1.343 449 H HN 0.932 nan 8.280 nan 0.000 0.382 450 G N 0.210 109.083 108.800 0.121 0.000 2.398 450 G HA2 0.251 4.211 3.960 0.000 0.000 0.246 450 G HA3 0.251 4.211 3.960 0.000 0.000 0.246 450 G C 0.637 175.568 174.900 0.052 0.000 1.289 450 G CA -0.264 44.901 45.100 0.110 0.000 0.869 450 G HN 0.327 nan 8.290 nan 0.000 0.543 451 R N 0.296 120.799 120.500 0.004 0.000 2.081 451 R HA 0.334 4.674 4.340 0.000 0.000 0.158 451 R C 0.829 177.121 176.300 -0.014 0.000 1.886 451 R CA 0.808 56.919 56.100 0.017 0.000 1.479 451 R CB 0.165 30.508 30.300 0.072 0.000 1.254 451 R HN 0.665 nan 8.270 nan 0.000 0.475 452 T N -1.049 113.427 114.554 -0.131 0.000 2.841 452 T HA 0.567 4.917 4.350 0.000 0.000 0.296 452 T C -1.246 173.307 174.700 -0.246 0.000 1.166 452 T CA -0.844 61.185 62.100 -0.118 0.000 1.007 452 T CB 2.700 71.574 68.868 0.010 0.000 1.253 452 T HN 0.066 nan 8.240 nan 0.000 0.511 453 E N -0.409 119.694 120.200 -0.161 0.000 2.408 453 E HA 0.593 4.944 4.350 0.000 0.000 0.275 453 E C -1.317 175.130 176.600 -0.256 0.000 0.935 453 E CA -0.527 55.758 56.400 -0.193 0.000 0.775 453 E CB 2.245 31.885 29.700 -0.100 0.000 1.277 453 E HN 0.764 nan 8.360 nan 0.000 0.455 454 T N 1.378 115.724 114.554 -0.346 0.000 2.845 454 T HA 0.508 4.858 4.350 0.000 0.000 0.288 454 T C -0.719 173.675 174.700 -0.509 0.000 0.980 454 T CA -0.487 61.228 62.100 -0.642 0.000 1.071 454 T CB 0.865 69.387 68.868 -0.577 0.000 0.941 454 T HN 0.250 nan 8.240 nan 0.000 0.487 455 V N 4.767 124.355 119.914 -0.544 0.000 2.384 455 V HA 0.382 4.502 4.120 0.000 0.000 0.287 455 V C 0.254 176.160 176.094 -0.313 0.000 1.020 455 V CA -0.866 61.226 62.300 -0.347 0.000 0.850 455 V CB 1.445 33.099 31.823 -0.281 0.000 0.987 455 V HN 0.740 nan 8.190 nan 0.000 0.436 456 R N 3.297 123.701 120.500 -0.159 0.000 2.391 456 R HA 0.262 4.602 4.340 0.000 0.000 0.310 456 R C 1.009 177.344 176.300 0.059 0.000 1.174 456 R CA -0.249 55.857 56.100 0.010 0.000 1.118 456 R CB 0.698 31.106 30.300 0.180 0.000 1.134 456 R HN 0.743 nan 8.270 nan 0.000 0.524 457 S N 0.656 116.396 115.700 0.067 0.000 2.419 457 S HA -0.149 4.322 4.470 0.000 0.000 0.233 457 S C 1.154 175.833 174.600 0.133 0.000 1.016 457 S CA 0.669 58.957 58.200 0.146 0.000 0.974 457 S CB 0.035 63.320 63.200 0.142 0.000 0.786 457 S HN 0.649 nan 8.310 nan 0.000 0.492 458 C N 4.992 124.388 119.300 0.160 0.000 2.518 458 C HA 0.402 4.862 4.460 0.000 0.000 0.456 458 C C 1.203 176.246 174.990 0.089 0.000 1.016 458 C CA -0.770 58.335 59.018 0.145 0.000 1.210 458 C CB -2.463 25.443 27.740 0.276 0.000 1.542 458 C HN 0.567 nan 8.230 nan 0.000 0.545 459 T N 0.702 115.288 114.554 0.053 0.000 2.881 459 T HA 0.342 4.692 4.350 0.000 0.000 0.278 459 T C 1.252 175.931 174.700 -0.034 0.000 0.982 459 T CA -0.606 61.507 62.100 0.021 0.000 0.989 459 T CB 1.280 70.170 68.868 0.037 0.000 1.058 459 T HN 0.193 nan 8.240 nan 0.000 0.529 460 V N 1.317 121.200 119.914 -0.050 0.000 2.343 460 V HA -0.123 3.997 4.120 0.000 0.000 0.247 460 V C 2.737 178.810 176.094 -0.036 0.000 1.051 460 V CA 2.087 64.342 62.300 -0.074 0.000 1.036 460 V CB -1.126 30.650 31.823 -0.079 0.000 0.654 460 V HN 0.889 nan 8.190 nan 0.000 0.451 461 E N 0.668 120.864 120.200 -0.005 0.000 2.085 461 E HA -0.179 4.171 4.350 0.000 0.000 0.194 461 E C 2.277 178.916 176.600 0.065 0.000 0.994 461 E CA 1.575 57.990 56.400 0.026 0.000 0.801 461 E CB -0.654 29.062 29.700 0.027 0.000 0.743 461 E HN 0.586 nan 8.360 nan 0.000 0.453 462 A N 0.434 123.288 122.820 0.055 0.000 1.877 462 A HA -0.170 4.150 4.320 0.000 0.000 0.216 462 A C 2.485 180.121 177.584 0.086 0.000 1.186 462 A CA 1.574 53.679 52.037 0.115 0.000 0.620 462 A CB -0.754 18.288 19.000 0.069 0.000 0.822 462 A HN 0.158 nan 8.150 nan 0.000 0.443 463 V N -0.006 119.888 119.914 -0.032 0.000 2.427 463 V HA -0.244 3.876 4.120 0.000 0.000 0.248 463 V C 2.607 178.600 176.094 -0.168 0.000 1.051 463 V CA 2.098 64.308 62.300 -0.150 0.000 1.048 463 V CB -0.848 30.896 31.823 -0.130 0.000 0.666 463 V HN 0.508 nan 8.190 nan 0.000 0.456 464 R N -1.222 119.241 120.500 -0.062 0.000 2.081 464 R HA -0.233 4.108 4.340 0.000 0.000 0.235 464 R C 2.147 178.436 176.300 -0.019 0.000 1.131 464 R CA 2.118 58.193 56.100 -0.041 0.000 0.960 464 R CB -0.461 29.840 30.300 0.003 0.000 0.856 464 R HN 0.690 nan 8.270 nan 0.000 0.436 465 W N 1.032 122.255 121.300 -0.128 0.000 2.379 465 W HA -0.201 4.459 4.660 0.000 0.000 0.307 465 W C 1.977 178.392 176.519 -0.173 0.000 1.200 465 W CA 0.633 57.912 57.345 -0.111 0.000 1.297 465 W CB -0.688 28.726 29.460 -0.076 0.000 1.140 465 W HN -0.010 nan 8.180 nan 0.000 0.507 466 C N 0.819 119.770 119.300 -0.582 0.000 2.413 466 C HA -0.239 4.221 4.460 0.000 0.000 0.277 466 C C 2.618 177.135 174.990 -0.788 0.000 1.265 466 C CA 1.697 60.135 59.018 -0.967 0.000 1.752 466 C CB -1.309 25.787 27.740 -1.073 0.000 1.998 466 C HN 0.480 nan 8.230 nan 0.000 0.489 467 Q N 1.022 120.487 119.800 -0.559 0.000 2.079 467 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 467 Q C 1.597 177.474 176.000 -0.204 0.000 0.974 467 Q CA 1.417 57.050 55.803 -0.282 0.000 0.840 467 Q CB -0.278 28.370 28.738 -0.150 0.000 0.898 467 Q HN 0.829 nan 8.270 nan 0.000 0.430 471 D N 2.746 123.110 120.400 -0.060 0.000 2.365 471 D HA 0.255 4.895 4.640 0.000 0.000 0.237 471 D C -1.654 174.627 176.300 -0.032 0.000 1.190 471 D CA -1.760 52.217 54.000 -0.039 0.000 0.867 471 D CB 1.653 42.428 40.800 -0.041 0.000 1.050 471 D HN -0.153 nan 8.370 nan 0.000 0.491 472 P HA -0.130 nan 4.420 nan 0.000 0.219 472 P C 0.961 178.253 177.300 -0.014 0.000 1.146 472 P CA 1.005 64.094 63.100 -0.018 0.000 0.808 472 P CB 0.198 31.889 31.700 -0.016 0.000 0.779 473 S N -2.032 113.660 115.700 -0.013 0.000 2.575 473 S HA 0.299 4.769 4.470 0.000 0.000 0.215 473 S C 1.033 175.628 174.600 -0.008 0.000 0.966 473 S CA -0.244 57.951 58.200 -0.009 0.000 0.911 473 S CB -0.650 62.545 63.200 -0.008 0.000 0.780 473 S HN 0.078 nan 8.310 nan 0.000 0.514 474 A N 2.702 125.515 122.820 -0.012 0.000 2.454 474 A HA 0.562 4.882 4.320 0.000 0.000 0.260 474 A C 0.718 178.303 177.584 0.001 0.000 1.106 474 A CA -0.231 51.801 52.037 -0.007 0.000 0.780 474 A CB 0.016 19.006 19.000 -0.017 0.000 1.044 474 A HN 0.670 nan 8.150 nan 0.000 0.498 475 S N 2.426 118.131 115.700 0.008 0.000 2.603 475 S HA 0.283 4.753 4.470 0.000 0.000 0.268 475 S C 1.017 175.630 174.600 0.023 0.000 1.317 475 S CA -0.281 57.926 58.200 0.012 0.000 1.012 475 S CB 0.710 63.917 63.200 0.012 0.000 0.926 475 S HN 0.902 nan 8.310 nan 0.000 0.539 476 L N 1.525 122.762 121.223 0.023 0.000 2.043 476 L HA -0.058 4.282 4.340 0.000 0.000 0.212 476 L C 2.232 179.128 176.870 0.043 0.000 1.075 476 L CA 1.715 56.575 54.840 0.035 0.000 0.752 476 L CB -0.852 41.224 42.059 0.029 0.000 0.891 476 L HN 0.853 nan 8.230 nan 0.000 0.432 477 L N -0.506 120.736 121.223 0.032 0.000 2.083 477 L HA -0.218 4.122 4.340 0.000 0.000 0.209 477 L C 2.419 179.313 176.870 0.041 0.000 1.083 477 L CA 1.993 56.852 54.840 0.031 0.000 0.752 477 L CB -0.793 41.278 42.059 0.020 0.000 0.899 477 L HN 0.496 nan 8.230 nan 0.000 0.433 478 E N -0.478 119.747 120.200 0.041 0.000 2.031 478 E HA -0.263 4.088 4.350 0.000 0.000 0.193 478 E C 2.323 178.975 176.600 0.086 0.000 0.994 478 E CA 1.308 57.737 56.400 0.049 0.000 0.800 478 E CB -0.077 29.644 29.700 0.034 0.000 0.752 478 E HN 0.499 nan 8.360 nan 0.000 0.447 479 R N 0.274 120.833 120.500 0.098 0.000 2.091 479 R HA -0.201 4.139 4.340 0.000 0.000 0.238 479 R C 2.641 179.082 176.300 0.235 0.000 1.136 479 R CA 1.854 58.061 56.100 0.179 0.000 0.959 479 R CB -0.363 30.018 30.300 0.135 0.000 0.856 479 R HN 0.347 nan 8.270 nan 0.000 0.437 480 Q N 0.596 120.479 119.800 0.137 0.000 2.079 480 Q HA -0.251 4.089 4.340 0.000 0.000 0.200 480 Q C 2.152 178.186 176.000 0.057 0.000 0.974 480 Q CA 1.595 57.453 55.803 0.091 0.000 0.840 480 Q CB 0.076 28.846 28.738 0.053 0.000 0.898 480 Q HN 0.138 nan 8.270 nan 0.000 0.430 481 Q N 0.953 120.788 119.800 0.060 0.000 2.020 481 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 481 Q C 0.163 176.196 176.000 0.055 0.000 0.982 481 Q CA 1.475 57.303 55.803 0.042 0.000 0.838 481 Q CB 0.039 28.800 28.738 0.039 0.000 0.899 481 Q HN 0.189 nan 8.270 nan 0.000 0.423 485 E N 1.561 121.781 120.200 0.034 0.000 2.106 485 E HA -0.095 4.255 4.350 0.000 0.000 0.192 485 E C 2.065 178.693 176.600 0.046 0.000 0.984 485 E CA 1.278 57.703 56.400 0.041 0.000 0.806 485 E CB 0.047 29.768 29.700 0.035 0.000 0.750 485 E HN 0.522 nan 8.360 nan 0.000 0.458 486 A N 0.825 123.655 122.820 0.017 0.000 1.898 486 A HA -0.147 4.173 4.320 0.000 0.000 0.216 486 A C 1.857 179.427 177.584 -0.024 0.000 1.181 486 A CA 0.962 52.979 52.037 -0.034 0.000 0.620 486 A CB -0.646 18.256 19.000 -0.164 0.000 0.819 486 A HN 0.141 nan 8.150 nan 0.000 0.442 487 F N 0.302 120.172 119.950 -0.134 0.000 2.075 487 F HA -0.138 4.389 4.527 0.000 0.000 0.297 487 F C 2.842 178.648 175.800 0.010 0.000 1.113 487 F CA 1.310 59.269 58.000 -0.068 0.000 1.218 487 F CB -0.588 38.368 39.000 -0.073 0.000 0.984 487 F HN 0.258 nan 8.300 nan 0.000 0.472 488 A N -0.386 122.553 122.820 0.198 0.000 1.908 488 A HA -0.293 4.027 4.320 0.000 0.000 0.218 488 A C 2.125 179.758 177.584 0.082 0.000 1.181 488 A CA 2.188 54.296 52.037 0.118 0.000 0.627 488 A CB -0.731 18.315 19.000 0.077 0.000 0.818 488 A HN 0.286 nan 8.150 nan 0.000 0.445 489 K N -0.646 119.795 120.400 0.069 0.000 2.002 489 K HA -0.193 4.127 4.320 0.000 0.000 0.209 489 K C 2.081 178.706 176.600 0.041 0.000 1.048 489 K CA 1.987 58.301 56.287 0.045 0.000 0.930 489 K CB -0.644 31.879 32.500 0.038 0.000 0.714 489 K HN 0.633 nan 8.250 nan 0.000 0.438 490 H N 0.290 119.336 119.070 -0.039 0.000 2.353 490 H HA -0.066 4.490 4.556 0.000 0.000 0.300 490 H C 1.431 176.737 175.328 -0.036 0.000 1.090 490 H CA 1.707 57.719 56.048 -0.060 0.000 1.327 490 H CB 0.111 29.787 29.762 -0.143 0.000 1.383 490 H HN 0.260 nan 8.280 nan 0.000 0.508 491 N N 1.145 119.922 118.700 0.128 0.000 2.043 491 N HA -0.125 4.616 4.740 0.000 0.000 0.193 491 N C 1.293 176.804 175.510 0.001 0.000 1.037 491 N CA 0.722 53.820 53.050 0.080 0.000 0.851 491 N CB -0.296 38.254 38.487 0.105 0.000 1.027 491 N HN 0.250 nan 8.380 nan 0.000 0.422 496 D N 1.478 121.860 120.400 -0.029 0.000 2.104 496 D HA -0.111 4.529 4.640 0.000 0.000 0.194 496 D C 1.735 178.120 176.300 0.141 0.000 0.994 496 D CA 1.580 55.609 54.000 0.048 0.000 0.830 496 D CB -0.396 40.436 40.800 0.052 0.000 0.959 496 D HN 0.299 nan 8.370 nan 0.000 0.452 497 C N 0.778 120.135 119.300 0.095 0.000 2.413 497 C HA -0.135 4.325 4.460 0.000 0.000 0.277 497 C C 2.968 178.068 174.990 0.183 0.000 1.228 497 C CA 1.504 60.577 59.018 0.092 0.000 1.731 497 C CB -1.168 26.566 27.740 -0.010 0.000 2.042 497 C HN 0.446 nan 8.230 nan 0.000 0.468 498 S N -0.111 115.734 115.700 0.242 0.000 2.442 498 S HA -0.169 4.301 4.470 0.000 0.000 0.236 498 S C 1.112 176.049 174.600 0.562 0.000 1.007 498 S CA 1.432 59.848 58.200 0.360 0.000 0.965 498 S CB -0.734 62.696 63.200 0.383 0.000 0.773 498 S HN 0.763 nan 8.310 nan 0.000 0.504 499 H N 1.129 120.386 119.070 0.313 0.000 2.524 499 H HA 0.442 4.998 4.556 0.000 0.000 0.280 499 H C 1.585 177.198 175.328 0.475 0.000 1.018 499 H CA -0.358 55.911 56.048 0.369 0.000 1.165 499 H CB -0.132 29.712 29.762 0.137 0.000 1.411 499 H HN 0.539 nan 8.280 nan 0.000 0.569 500 G N 0.785 109.842 108.800 0.428 0.000 2.148 500 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 500 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 500 G C 0.983 175.950 174.900 0.111 0.000 0.981 500 G CA 0.379 45.547 45.100 0.113 0.000 0.670 500 G HN 0.457 nan 8.290 nan 0.000 0.528 501 K N 0.349 120.853 120.400 0.173 0.000 2.440 501 K HA 0.352 4.672 4.320 0.000 0.000 0.206 501 K C 1.654 178.365 176.600 0.184 0.000 1.025 501 K CA 0.139 56.523 56.287 0.162 0.000 1.135 501 K CB 0.741 33.331 32.500 0.150 0.000 0.856 501 K HN 0.382 nan 8.250 nan 0.000 0.502 502 G N 0.422 109.317 108.800 0.159 0.000 2.611 502 G HA2 0.146 4.106 3.960 0.000 0.000 0.273 502 G HA3 0.146 4.106 3.960 0.000 0.000 0.273 502 G C 0.297 175.350 174.900 0.256 0.000 1.305 502 G CA -0.365 44.814 45.100 0.132 0.000 1.010 502 G HN 0.296 nan 8.290 nan 0.000 0.509 503 F N -2.992 117.064 119.950 0.178 0.000 2.789 503 F HA 0.372 4.899 4.527 0.000 0.000 0.320 503 F C 1.316 177.265 175.800 0.248 0.000 1.079 503 F CA 0.023 58.167 58.000 0.241 0.000 1.205 503 F CB 0.191 39.311 39.000 0.200 0.000 1.046 503 F HN 0.363 nan 8.300 nan 0.000 0.586 504 D N 1.300 121.497 120.400 -0.338 0.000 2.104 504 D HA -0.120 4.520 4.640 0.000 0.000 0.194 504 D C 2.105 178.532 176.300 0.212 0.000 0.994 504 D CA 1.632 55.583 54.000 -0.082 0.000 0.830 504 D CB 0.026 40.706 40.800 -0.200 0.000 0.959 504 D HN 0.023 nan 8.370 nan 0.000 0.452 505 R N -0.290 120.325 120.500 0.191 0.000 2.092 505 R HA -0.098 4.242 4.340 0.000 0.000 0.231 505 R C 2.132 178.800 176.300 0.614 0.000 1.119 505 R CA 0.976 57.263 56.100 0.312 0.000 0.970 505 R CB -1.116 29.261 30.300 0.128 0.000 0.864 505 R HN 0.553 nan 8.270 nan 0.000 0.440 506 H N 0.687 120.030 119.070 0.455 0.000 2.290 506 H HA -0.042 4.514 4.556 0.000 0.000 0.298 506 H C 2.060 177.616 175.328 0.380 0.000 1.087 506 H CA 1.442 57.739 56.048 0.417 0.000 1.291 506 H CB 0.112 30.079 29.762 0.343 0.000 1.369 506 H HN 0.050 nan 8.280 nan 0.000 0.492 507 L N 0.241 121.717 121.223 0.422 0.000 2.083 507 L HA -0.176 4.164 4.340 0.000 0.000 0.209 507 L C 2.696 179.840 176.870 0.457 0.000 1.083 507 L CA 0.495 55.565 54.840 0.384 0.000 0.752 507 L CB -0.338 41.962 42.059 0.401 0.000 0.899 507 L HN 0.338 nan 8.230 nan 0.000 0.433 508 L N 0.512 121.990 121.223 0.424 0.000 2.046 508 L HA -0.074 4.266 4.340 0.000 0.000 0.208 508 L C 2.365 179.346 176.870 0.184 0.000 1.077 508 L CA 2.143 57.152 54.840 0.282 0.000 0.747 508 L CB -1.102 41.169 42.059 0.353 0.000 0.896 508 L HN 0.113 nan 8.230 nan 0.000 0.432 509 G N -0.379 108.668 108.800 0.411 0.000 2.442 509 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 509 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 509 G C 1.590 176.583 174.900 0.155 0.000 1.141 509 G CA 1.111 46.459 45.100 0.414 0.000 0.763 509 G HN 0.450 nan 8.290 nan 0.000 0.554 510 L N -0.408 120.949 121.223 0.224 0.000 2.046 510 L HA -0.027 4.313 4.340 0.000 0.000 0.208 510 L C 2.697 179.610 176.870 0.072 0.000 1.077 510 L CA 0.559 55.531 54.840 0.220 0.000 0.747 510 L CB -0.499 41.795 42.059 0.393 0.000 0.896 510 L HN 0.239 nan 8.230 nan 0.000 0.432 511 L N 0.171 121.334 121.223 -0.101 0.000 2.017 511 L HA -0.199 4.141 4.340 0.000 0.000 0.208 511 L C 2.315 178.969 176.870 -0.359 0.000 1.073 511 L CA 1.778 56.348 54.840 -0.449 0.000 0.745 511 L CB -0.486 41.031 42.059 -0.904 0.000 0.894 511 L HN 0.108 nan 8.230 nan 0.000 0.432 512 L N -1.140 119.813 121.223 -0.450 0.000 2.141 512 L HA -0.200 4.140 4.340 0.000 0.000 0.209 512 L C 2.532 179.148 176.870 -0.423 0.000 1.094 512 L CA 0.545 54.982 54.840 -0.672 0.000 0.763 512 L CB -0.642 40.518 42.059 -1.498 0.000 0.908 512 L HN 0.289 nan 8.230 nan 0.000 0.437 513 I N 0.554 121.005 120.570 -0.197 0.000 2.179 513 I HA -0.271 3.899 4.170 0.000 0.000 0.242 513 I C 2.852 178.990 176.117 0.034 0.000 1.088 513 I CA 1.663 63.015 61.300 0.087 0.000 1.357 513 I CB -1.124 36.967 38.000 0.151 0.000 1.051 513 I HN 0.202 nan 8.210 nan 0.000 0.409 514 A N 0.840 123.650 122.820 -0.017 0.000 1.858 514 A HA -0.227 4.093 4.320 0.000 0.000 0.216 514 A C 2.380 179.942 177.584 -0.036 0.000 1.190 514 A CA 1.643 53.672 52.037 -0.013 0.000 0.617 514 A CB -0.566 18.424 19.000 -0.017 0.000 0.827 514 A HN 0.325 nan 8.150 nan 0.000 0.443 515 K N -0.698 119.645 120.400 -0.094 0.000 2.032 515 K HA -0.203 4.117 4.320 0.000 0.000 0.209 515 K C 2.041 178.620 176.600 -0.035 0.000 1.048 515 K CA 1.689 57.924 56.287 -0.087 0.000 0.927 515 K CB -0.191 32.221 32.500 -0.147 0.000 0.712 515 K HN 0.634 nan 8.250 nan 0.000 0.441 516 E N 0.717 120.912 120.200 -0.009 0.000 2.333 516 E HA -0.172 4.178 4.350 0.000 0.000 0.198 516 E C 0.839 177.480 176.600 0.067 0.000 1.007 516 E CA 0.918 57.358 56.400 0.067 0.000 0.845 516 E CB 0.254 30.064 29.700 0.183 0.000 0.766 516 E HN 0.291 nan 8.360 nan 0.000 0.507 517 E N -1.455 118.773 120.200 0.047 0.000 2.501 517 E HA 0.116 4.466 4.350 0.000 0.000 0.201 517 E C 0.725 177.339 176.600 0.024 0.000 1.016 517 E CA 0.327 56.752 56.400 0.042 0.000 0.920 517 E CB 1.090 30.818 29.700 0.045 0.000 1.023 517 E HN 0.338 nan 8.360 nan 0.000 0.474 518 G N 1.862 110.669 108.800 0.012 0.000 2.148 518 G HA2 -0.291 3.669 3.960 0.000 0.000 0.254 518 G HA3 -0.291 3.669 3.960 0.000 0.000 0.254 518 G C 0.220 175.120 174.900 -0.000 0.000 0.981 518 G CA 0.121 45.223 45.100 0.003 0.000 0.670 518 G HN 0.173 nan 8.290 nan 0.000 0.528 519 L N 1.842 123.065 121.223 0.000 0.000 2.375 519 L HA 0.441 4.781 4.340 0.000 0.000 0.271 519 L C -0.881 175.984 176.870 -0.008 0.000 1.107 519 L CA -2.106 52.736 54.840 0.003 0.000 0.806 519 L CB 0.619 42.687 42.059 0.015 0.000 1.146 519 L HN 0.002 nan 8.230 nan 0.000 0.447 520 P HA 0.009 nan 4.420 nan 0.000 0.270 520 P C -0.609 176.685 177.300 -0.011 0.000 1.223 520 P CA -0.309 62.787 63.100 -0.008 0.000 0.785 520 P CB 0.697 32.399 31.700 0.004 0.000 0.923 521 V N 3.547 123.441 119.914 -0.033 0.000 2.521 521 V HA 0.090 4.210 4.120 0.000 0.000 0.286 521 V C -1.722 174.394 176.094 0.037 0.000 1.034 521 V CA -1.051 61.217 62.300 -0.054 0.000 1.045 521 V CB -0.282 31.480 31.823 -0.102 0.000 0.974 521 V HN 0.593 nan 8.190 nan 0.000 0.480 522 P HA 0.039 nan 4.420 nan 0.000 0.267 522 P C 0.911 178.258 177.300 0.079 0.000 1.200 522 P CA -0.054 63.154 63.100 0.181 0.000 0.772 522 P CB 0.628 32.529 31.700 0.334 0.000 0.855 523 E N 1.840 122.044 120.200 0.006 0.000 2.204 523 E HA -0.181 4.169 4.350 0.000 0.000 0.195 523 E C 1.585 178.085 176.600 -0.167 0.000 0.990 523 E CA 0.489 56.859 56.400 -0.050 0.000 0.821 523 E CB -0.234 29.451 29.700 -0.025 0.000 0.750 523 E HN 0.405 nan 8.360 nan 0.000 0.477 524 L N -0.058 120.946 121.223 -0.366 0.000 2.081 524 L HA -0.201 4.139 4.340 0.000 0.000 0.212 524 L C 1.670 178.091 176.870 -0.748 0.000 1.080 524 L CA 1.408 55.870 54.840 -0.630 0.000 0.754 524 L CB -0.184 41.158 42.059 -1.194 0.000 0.893 524 L HN 0.161 nan 8.230 nan 0.000 0.433 525 F N -0.232 119.359 119.950 -0.599 0.000 2.615 525 F HA -0.022 4.505 4.527 0.000 0.000 0.297 525 F C 2.223 177.767 175.800 -0.428 0.000 1.124 525 F CA 0.595 58.079 58.000 -0.860 0.000 1.451 525 F CB -0.133 38.397 39.000 -0.784 0.000 1.103 525 F HN 0.133 nan 8.300 nan 0.000 0.569 526 E N -0.516 119.629 120.200 -0.091 0.000 2.447 526 E HA -0.071 4.279 4.350 0.000 0.000 0.195 526 E C 0.335 176.937 176.600 0.002 0.000 1.028 526 E CA -0.055 56.330 56.400 -0.026 0.000 0.876 526 E CB -0.039 29.650 29.700 -0.019 0.000 0.885 526 E HN 0.128 nan 8.360 nan 0.000 0.500 527 D N 1.502 121.898 120.400 -0.006 0.000 2.493 527 D HA -0.035 4.605 4.640 0.000 0.000 0.240 527 D C -1.673 174.687 176.300 0.099 0.000 1.142 527 D CA -1.748 52.277 54.000 0.042 0.000 0.872 527 D CB 1.204 42.034 40.800 0.050 0.000 1.173 527 D HN -0.190 nan 8.370 nan 0.000 0.467 528 P HA -0.121 nan 4.420 nan 0.000 0.216 528 P C 1.597 178.950 177.300 0.090 0.000 1.153 528 P CA 0.951 64.094 63.100 0.071 0.000 0.858 528 P CB 0.156 31.885 31.700 0.048 0.000 0.789 529 L N -2.865 118.421 121.223 0.105 0.000 2.275 529 L HA -0.148 4.192 4.340 0.000 0.000 0.215 529 L C 2.283 179.239 176.870 0.143 0.000 1.119 529 L CA 0.988 55.891 54.840 0.104 0.000 0.790 529 L CB -0.699 41.414 42.059 0.091 0.000 0.919 529 L HN -0.027 nan 8.230 nan 0.000 0.443 530 F N 1.126 121.139 119.950 0.105 0.000 2.134 530 F HA -0.265 4.262 4.527 0.000 0.000 0.299 530 F C 2.785 178.611 175.800 0.043 0.000 1.097 530 F CA 1.826 59.913 58.000 0.145 0.000 1.264 530 F CB -0.059 38.959 39.000 0.030 0.000 1.001 530 F HN 0.110 nan 8.300 nan 0.000 0.479 531 S N -0.361 115.443 115.700 0.173 0.000 2.458 531 S HA -0.058 4.412 4.470 0.000 0.000 0.223 531 S C 2.147 176.644 174.600 -0.171 0.000 1.019 531 S CA 0.361 58.568 58.200 0.011 0.000 0.937 531 S CB -0.555 62.696 63.200 0.084 0.000 0.788 531 S HN 0.484 nan 8.310 nan 0.000 0.511 532 R N 1.744 122.156 120.500 -0.148 0.000 2.148 532 R HA -0.022 4.318 4.340 0.000 0.000 0.223 532 R C 1.968 177.910 176.300 -0.597 0.000 1.088 532 R CA 1.483 57.426 56.100 -0.262 0.000 0.985 532 R CB -0.357 29.871 30.300 -0.119 0.000 0.880 532 R HN 0.625 nan 8.270 nan 0.000 0.451 533 S N -1.789 113.607 115.700 -0.507 0.000 2.603 533 S HA 0.160 4.630 4.470 0.000 0.000 0.220 533 S C 1.212 175.406 174.600 -0.677 0.000 0.967 533 S CA 0.434 58.246 58.200 -0.646 0.000 0.920 533 S CB 0.820 63.950 63.200 -0.117 0.000 0.773 533 S HN 0.560 nan 8.310 nan 0.000 0.529 534 G N 0.432 108.749 108.800 -0.806 0.000 2.352 534 G HA2 -0.059 3.901 3.960 0.000 0.000 0.204 534 G HA3 -0.059 3.901 3.960 0.000 0.000 0.204 534 G C 0.502 174.773 174.900 -1.048 0.000 1.004 534 G CA -0.298 43.924 45.100 -1.463 0.000 0.648 534 G HN 1.050 nan 8.290 nan 0.000 0.491 535 G N -0.036 108.392 108.800 -0.619 0.000 2.464 535 G HA2 0.464 4.424 3.960 0.000 0.000 0.231 535 G HA3 0.464 4.424 3.960 0.000 0.000 0.231 535 G C 1.509 176.420 174.900 0.018 0.000 1.267 535 G CA 1.832 46.698 45.100 -0.390 0.000 0.863 535 G HN 2.011 nan 8.290 nan 0.000 0.559 536 G N -0.143 108.810 108.800 0.255 0.000 2.137 536 G HA2 0.241 4.201 3.960 0.000 0.000 0.237 536 G HA3 0.241 4.201 3.960 0.000 0.000 0.237 536 G C 1.291 176.265 174.900 0.122 0.000 1.002 536 G CA 0.805 46.038 45.100 0.222 0.000 0.702 536 G HN 2.675 nan 8.290 nan 0.000 0.515 537 G N -0.881 108.015 108.800 0.161 0.000 2.246 537 G HA2 -0.272 3.688 3.960 0.000 0.000 0.273 537 G HA3 -0.272 3.688 3.960 0.000 0.000 0.273 537 G C 0.297 175.251 174.900 0.091 0.000 1.055 537 G CA 0.528 45.729 45.100 0.169 0.000 0.851 537 G HN 0.999 nan 8.290 nan 0.000 0.500 538 N N -0.238 118.425 118.700 -0.063 0.000 2.458 538 N HA 0.244 4.984 4.740 0.000 0.000 0.274 538 N C -0.223 175.150 175.510 -0.229 0.000 1.242 538 N CA -0.115 52.856 53.050 -0.132 0.000 0.904 538 N CB 0.185 38.569 38.487 -0.172 0.000 1.206 538 N HN 0.330 nan 8.380 nan 0.000 0.510 539 F N 0.201 120.162 119.950 0.018 0.000 2.438 539 F HA 0.096 4.623 4.527 0.000 0.000 0.356 539 F C 1.660 177.468 175.800 0.012 0.000 1.099 539 F CA -0.381 57.629 58.000 0.017 0.000 1.185 539 F CB 1.394 40.456 39.000 0.103 0.000 1.115 539 F HN -0.164 nan 8.300 nan 0.000 0.526 540 V N 5.567 125.552 119.914 0.119 0.000 2.970 540 V HA 0.041 4.161 4.120 0.000 0.000 0.260 540 V C 0.338 176.510 176.094 0.129 0.000 1.100 540 V CA 1.203 63.551 62.300 0.079 0.000 1.122 540 V CB -0.429 31.394 31.823 0.000 0.000 0.721 540 V HN 0.507 nan 8.190 nan 0.000 0.483 541 L N 0.701 122.002 121.223 0.130 0.000 2.372 541 L HA 0.460 4.800 4.340 0.000 0.000 0.273 541 L C -0.375 176.580 176.870 0.141 0.000 0.989 541 L CA -0.037 54.870 54.840 0.113 0.000 0.841 541 L CB 1.772 43.824 42.059 -0.013 0.000 1.225 541 L HN -0.012 nan 8.230 nan 0.000 0.414 542 S N 2.257 118.024 115.700 0.112 0.000 2.438 542 S HA 0.726 5.197 4.470 0.000 0.000 0.316 542 S C -0.219 174.357 174.600 -0.039 0.000 1.084 542 S CA -0.338 57.922 58.200 0.100 0.000 1.107 542 S CB 0.713 63.997 63.200 0.141 0.000 0.981 542 S HN 0.711 nan 8.310 nan 0.000 0.466 543 T N 1.033 115.636 114.554 0.081 0.000 2.865 543 T HA 0.840 5.190 4.350 0.000 0.000 0.294 543 T C -0.585 174.265 174.700 0.250 0.000 1.119 543 T CA -0.750 61.324 62.100 -0.045 0.000 1.007 543 T CB 1.705 70.643 68.868 0.116 0.000 1.225 543 T HN 0.694 nan 8.240 nan 0.000 0.515 544 S N 0.017 115.847 115.700 0.217 0.000 2.608 544 S HA 0.449 4.919 4.470 0.000 0.000 0.285 544 S C -2.007 172.399 174.600 -0.324 0.000 1.108 544 S CA -0.843 57.442 58.200 0.142 0.000 0.858 544 S CB 1.091 64.455 63.200 0.273 0.000 1.077 544 S HN 1.248 nan 8.310 nan 0.000 0.450 545 L N 5.017 125.995 121.223 -0.409 0.000 2.371 545 L HA 0.700 5.041 4.340 0.000 0.000 0.272 545 L C 0.681 177.339 176.870 -0.355 0.000 1.124 545 L CA 0.265 54.691 54.840 -0.690 0.000 0.816 545 L CB 1.449 43.356 42.059 -0.254 0.000 1.129 545 L HN 0.746 nan 8.230 nan 0.000 0.448 546 V N 2.492 122.211 119.914 -0.324 0.000 3.177 546 V HA 0.794 4.915 4.120 0.000 0.000 0.342 546 V C 0.681 176.671 176.094 -0.173 0.000 1.379 546 V CA 0.249 62.425 62.300 -0.206 0.000 1.191 546 V CB -1.136 30.594 31.823 -0.155 0.000 1.167 546 V HN 1.362 nan 8.190 nan 0.000 0.471 547 G N 0.692 109.356 108.800 -0.226 0.000 2.610 547 G HA2 -0.168 3.792 3.960 0.000 0.000 0.304 547 G HA3 -0.168 3.792 3.960 0.000 0.000 0.304 547 G C -0.712 173.984 174.900 -0.340 0.000 1.309 547 G CA -0.072 44.901 45.100 -0.211 0.000 0.906 547 G HN 0.488 nan 8.290 nan 0.000 0.521 548 Y N -0.214 120.091 120.300 0.008 0.000 2.672 548 Y HA 0.558 5.108 4.550 0.000 0.000 0.272 548 Y C 1.237 177.098 175.900 -0.064 0.000 1.055 548 Y CA -0.411 57.712 58.100 0.038 0.000 1.151 548 Y CB 0.415 38.891 38.460 0.027 0.000 1.190 548 Y HN 0.336 nan 8.280 nan 0.000 0.574 549 L N 0.204 121.399 121.223 -0.047 0.000 3.141 549 L HA 0.340 4.680 4.340 0.000 0.000 0.267 549 L C 0.647 177.430 176.870 -0.145 0.000 1.281 549 L CA -0.083 54.619 54.840 -0.229 0.000 1.037 549 L CB 0.123 41.958 42.059 -0.373 0.000 1.407 549 L HN 0.305 nan 8.230 nan 0.000 0.566 550 R N -1.565 118.844 120.500 -0.153 0.000 4.023 550 R HA -0.162 4.178 4.340 0.000 0.000 0.368 550 R C -0.058 175.969 176.300 -0.455 0.000 1.187 550 R CA 0.654 56.630 56.100 -0.206 0.000 1.089 550 R CB -1.887 28.432 30.300 0.032 0.000 1.574 550 R HN 0.204 nan 8.270 nan 0.000 0.564 551 V N 0.999 120.599 119.914 -0.524 0.000 2.483 551 V HA 0.313 4.433 4.120 0.000 0.000 0.295 551 V C 0.163 176.049 176.094 -0.348 0.000 1.035 551 V CA -0.575 61.529 62.300 -0.328 0.000 0.896 551 V CB 1.880 33.617 31.823 -0.144 0.000 0.986 551 V HN 0.035 nan 8.190 nan 0.000 0.447 552 Q N 2.312 122.095 119.800 -0.029 0.000 2.309 552 Q HA 0.763 5.103 4.340 0.000 0.000 0.264 552 Q C -0.236 175.926 176.000 0.269 0.000 1.008 552 Q CA -0.072 55.885 55.803 0.256 0.000 0.853 552 Q CB 2.055 31.162 28.738 0.616 0.000 1.314 552 Q HN 0.926 nan 8.270 nan 0.000 0.448 553 G N 0.583 109.479 108.800 0.159 0.000 2.630 553 G HA2 0.802 4.762 3.960 0.000 0.000 0.296 553 G HA3 0.802 4.762 3.960 0.000 0.000 0.296 553 G C -1.649 173.217 174.900 -0.057 0.000 1.285 553 G CA -0.492 44.652 45.100 0.073 0.000 0.958 553 G HN 0.686 nan 8.290 nan 0.000 0.479 554 V N -0.833 118.994 119.914 -0.145 0.000 3.236 554 V HA 0.711 4.831 4.120 0.000 0.000 0.287 554 V C -1.088 174.852 176.094 -0.255 0.000 1.491 554 V CA -0.058 62.032 62.300 -0.349 0.000 1.037 554 V CB 2.035 33.784 31.823 -0.123 0.000 1.160 554 V HN 1.566 nan 8.190 nan 0.000 0.453 555 V N 2.486 122.235 119.914 -0.275 0.000 3.181 555 V HA 0.916 5.037 4.120 0.000 0.000 0.308 555 V C -0.101 176.056 176.094 0.104 0.000 1.214 555 V CA -0.252 62.041 62.300 -0.012 0.000 1.053 555 V CB 1.406 33.249 31.823 0.032 0.000 1.069 555 V HN 1.844 nan 8.190 nan 0.000 0.441 556 V N -1.797 118.161 119.914 0.073 0.000 3.264 556 V HA 0.603 4.723 4.120 0.000 0.000 0.304 556 V C -1.953 174.173 176.094 0.054 0.000 1.086 556 V CA -1.238 61.023 62.300 -0.066 0.000 1.090 556 V CB -0.268 31.494 31.823 -0.102 0.000 1.112 556 V HN 0.915 nan 8.190 nan 0.000 0.472 560 H N 3.718 122.868 119.070 0.134 0.000 2.357 560 H HA -0.129 4.427 4.556 0.000 0.000 0.296 560 H C 1.555 176.980 175.328 0.161 0.000 1.108 560 H CA 3.002 59.127 56.048 0.127 0.000 1.273 560 H CB 0.199 29.934 29.762 -0.045 0.000 1.367 560 H HN 0.931 nan 8.280 nan 0.000 0.498 561 N N 0.182 118.847 118.700 -0.058 0.000 2.327 561 N HA 0.121 4.861 4.740 0.000 0.000 0.231 561 N C 0.478 175.893 175.510 -0.159 0.000 1.130 561 N CA 0.490 53.436 53.050 -0.174 0.000 0.845 561 N CB 0.188 38.632 38.487 -0.073 0.000 1.073 561 N HN 0.373 nan 8.380 nan 0.000 0.496 562 G N -0.639 108.100 108.800 -0.103 0.000 2.820 562 G HA2 0.595 4.555 3.960 0.000 0.000 0.291 562 G HA3 0.595 4.555 3.960 0.000 0.000 0.291 562 G C -1.618 173.144 174.900 -0.231 0.000 1.323 562 G CA -0.506 44.546 45.100 -0.081 0.000 1.055 562 G HN 0.140 nan 8.290 nan 0.000 0.520 563 Y N -1.582 118.753 120.300 0.058 0.000 2.570 563 Y HA 0.624 5.174 4.550 0.000 0.000 0.345 563 Y C 0.663 176.574 175.900 0.019 0.000 1.014 563 Y CA -0.539 57.582 58.100 0.034 0.000 1.063 563 Y CB 2.639 41.150 38.460 0.085 0.000 1.272 563 Y HN 0.717 nan 8.280 nan 0.000 0.477 564 G N 1.169 110.078 108.800 0.183 0.000 2.478 564 G HA2 0.546 4.506 3.960 0.000 0.000 0.317 564 G HA3 0.546 4.506 3.960 0.000 0.000 0.317 564 G C -2.226 172.583 174.900 -0.151 0.000 1.259 564 G CA -0.425 44.710 45.100 0.058 0.000 0.933 564 G HN 0.403 nan 8.290 nan 0.000 0.478 565 F N 3.135 122.570 119.950 -0.858 0.000 2.612 565 F HA 0.726 5.253 4.527 0.000 0.000 0.332 565 F C -1.577 173.660 175.800 -0.938 0.000 1.167 565 F CA -1.276 56.353 58.000 -0.617 0.000 0.970 565 F CB 1.232 40.065 39.000 -0.279 0.000 1.234 565 F HN 0.353 nan 8.300 nan 0.000 0.453 566 F N 5.251 125.036 119.950 -0.276 0.000 2.593 566 F HA 0.745 5.272 4.527 0.000 0.000 0.320 566 F C -0.997 174.689 175.800 -0.189 0.000 1.060 566 F CA -1.230 56.660 58.000 -0.184 0.000 0.940 566 F CB 1.805 40.694 39.000 -0.186 0.000 1.268 566 F HN 0.403 nan 8.300 nan 0.000 0.475 567 Y N -1.298 119.025 120.300 0.039 0.000 2.677 567 Y HA 0.693 5.243 4.550 0.000 0.000 0.334 567 Y C -1.504 174.441 175.900 0.076 0.000 1.196 567 Y CA -1.761 56.340 58.100 0.001 0.000 1.059 567 Y CB 1.026 39.468 38.460 -0.031 0.000 1.315 567 Y HN 0.725 nan 8.280 nan 0.000 0.455 568 H N -0.106 119.037 119.070 0.122 0.000 2.895 568 H HA 0.861 5.417 4.556 0.000 0.000 0.373 568 H C -1.965 173.436 175.328 0.122 0.000 1.174 568 H CA -1.383 54.666 56.048 0.001 0.000 1.144 568 H CB 2.145 31.898 29.762 -0.015 0.000 1.793 568 H HN 0.789 nan 8.280 nan 0.000 0.551 569 I N 2.468 123.102 120.570 0.107 0.000 2.433 569 I HA 0.458 4.628 4.170 0.000 0.000 0.292 569 I C -0.067 176.247 176.117 0.329 0.000 1.001 569 I CA -0.717 60.730 61.300 0.246 0.000 1.119 569 I CB 1.591 39.737 38.000 0.242 0.000 1.289 569 I HN 0.494 nan 8.210 nan 0.000 0.438 570 R N 3.317 123.981 120.500 0.274 0.000 2.828 570 R HA 0.251 4.591 4.340 0.000 0.000 0.264 570 R C 0.400 176.769 176.300 0.116 0.000 1.022 570 R CA -0.768 55.454 56.100 0.204 0.000 1.021 570 R CB 1.221 31.618 30.300 0.161 0.000 1.163 570 R HN 0.663 nan 8.270 nan 0.000 0.494 571 D N 0.271 120.711 120.400 0.067 0.000 2.351 571 D HA -0.171 4.469 4.640 0.000 0.000 0.216 571 D C 0.470 176.730 176.300 -0.067 0.000 0.968 571 D CA 1.149 55.150 54.000 0.001 0.000 0.899 571 D CB 0.038 40.833 40.800 -0.008 0.000 0.907 571 D HN 0.634 nan 8.370 nan 0.000 0.514 572 D N -0.687 119.669 120.400 -0.073 0.000 2.527 572 D HA 0.054 4.694 4.640 0.000 0.000 0.224 572 D C 0.479 176.665 176.300 -0.191 0.000 1.217 572 D CA -0.390 53.530 54.000 -0.134 0.000 0.819 572 D CB 0.512 41.258 40.800 -0.092 0.000 1.061 572 D HN 0.410 nan 8.370 nan 0.000 0.515 573 R N -1.627 118.765 120.500 -0.180 0.000 2.741 573 R HA 0.559 4.899 4.340 0.000 0.000 0.276 573 R C -1.968 174.304 176.300 -0.047 0.000 1.028 573 R CA -0.846 55.139 56.100 -0.192 0.000 0.865 573 R CB 0.375 30.641 30.300 -0.057 0.000 1.268 573 R HN -0.219 nan 8.270 nan 0.000 0.475 574 F N 0.644 120.598 119.950 0.007 0.000 2.493 574 F HA 0.546 5.073 4.527 0.000 0.000 0.329 574 F C -0.407 175.436 175.800 0.071 0.000 1.126 574 F CA -1.419 56.593 58.000 0.021 0.000 0.937 574 F CB 2.498 41.500 39.000 0.004 0.000 1.146 574 F HN 0.248 nan 8.300 nan 0.000 0.442 575 V N 4.727 124.709 119.914 0.114 0.000 2.417 575 V HA 0.688 4.808 4.120 0.000 0.000 0.291 575 V C -0.451 175.728 176.094 0.143 0.000 1.024 575 V CA -0.853 61.489 62.300 0.069 0.000 0.861 575 V CB 1.741 33.404 31.823 -0.267 0.000 0.985 575 V HN 0.575 nan 8.190 nan 0.000 0.436 576 V N 2.146 122.187 119.914 0.211 0.000 2.864 576 V HA 1.064 5.184 4.120 0.000 0.000 0.314 576 V C -0.254 175.761 176.094 -0.132 0.000 1.073 576 V CA -0.791 61.516 62.300 0.011 0.000 0.956 576 V CB 1.966 33.783 31.823 -0.010 0.000 1.023 576 V HN 1.155 nan 8.190 nan 0.000 0.435 577 A N 2.667 125.283 122.820 -0.340 0.000 2.381 577 A HA 0.812 5.132 4.320 0.000 0.000 0.299 577 A C -0.748 176.592 177.584 -0.407 0.000 1.049 577 A CA -0.254 51.540 52.037 -0.404 0.000 0.715 577 A CB 1.313 19.971 19.000 -0.571 0.000 1.222 577 A HN 1.820 nan 8.150 nan 0.000 0.428 578 C N 2.844 121.970 119.300 -0.290 0.000 2.498 578 C HA 0.911 5.371 4.460 0.000 0.000 0.316 578 C C 0.187 175.151 174.990 -0.043 0.000 1.209 578 C CA 0.137 59.083 59.018 -0.121 0.000 1.518 578 C CB 0.946 28.696 27.740 0.016 0.000 2.147 578 C HN 1.282 nan 8.230 nan 0.000 0.483 579 S N 3.677 119.390 115.700 0.022 0.000 2.536 579 S HA 0.947 5.417 4.470 0.000 0.000 0.298 579 S C -0.642 173.909 174.600 -0.082 0.000 1.083 579 S CA -0.264 57.898 58.200 -0.064 0.000 0.995 579 S CB 1.702 64.831 63.200 -0.118 0.000 1.058 579 S HN 1.682 nan 8.310 nan 0.000 0.488 580 S N 0.369 115.927 115.700 -0.237 0.000 2.588 580 S HA 0.655 5.125 4.470 0.000 0.000 0.269 580 S C -1.919 172.464 174.600 -0.361 0.000 1.157 580 S CA -1.141 56.867 58.200 -0.320 0.000 0.824 580 S CB 0.192 63.280 63.200 -0.185 0.000 1.126 580 S HN 0.836 nan 8.310 nan 0.000 0.464 581 W N 1.333 122.554 121.300 -0.132 0.000 2.361 581 W HA 0.544 5.204 4.660 0.000 0.000 0.309 581 W C 1.601 178.065 176.519 -0.093 0.000 1.122 581 W CA -0.911 56.381 57.345 -0.088 0.000 1.208 581 W CB 1.225 30.629 29.460 -0.095 0.000 1.246 581 W HN 0.693 nan 8.180 nan 0.000 0.490 582 R N 0.831 121.474 120.500 0.239 0.000 2.092 582 R HA -0.149 4.191 4.340 0.000 0.000 0.231 582 R C 2.181 178.551 176.300 0.117 0.000 1.119 582 R CA 1.644 57.821 56.100 0.128 0.000 0.970 582 R CB -0.385 29.983 30.300 0.113 0.000 0.864 582 R HN 0.556 nan 8.270 nan 0.000 0.440 583 S N -0.235 115.567 115.700 0.171 0.000 2.537 583 S HA -0.109 4.361 4.470 0.000 0.000 0.240 583 S C 1.001 175.699 174.600 0.163 0.000 0.981 583 S CA 0.286 58.583 58.200 0.162 0.000 0.948 583 S CB -0.428 62.883 63.200 0.184 0.000 0.759 583 S HN 0.346 nan 8.310 nan 0.000 0.531 584 C N 4.432 123.752 119.300 0.034 0.000 2.225 584 C HA 0.522 4.982 4.460 0.000 0.000 0.323 584 C C -0.840 174.125 174.990 -0.041 0.000 1.164 584 C CA -2.285 56.671 59.018 -0.103 0.000 1.565 584 C CB 0.782 28.265 27.740 -0.428 0.000 2.124 584 C HN 0.328 nan 8.230 nan 0.000 0.461 585 P HA -0.141 nan 4.420 nan 0.000 0.218 585 P C 0.978 178.286 177.300 0.013 0.000 1.148 585 P CA 1.695 64.802 63.100 0.012 0.000 0.822 585 P CB 0.429 32.141 31.700 0.020 0.000 0.784 586 E N 0.209 120.410 120.200 0.002 0.000 2.110 586 E HA -0.066 4.284 4.350 0.000 0.000 0.193 586 E C 1.082 177.746 176.600 0.107 0.000 0.988 586 E CA 1.094 57.519 56.400 0.041 0.000 0.804 586 E CB -1.057 28.644 29.700 0.001 0.000 0.745 586 E HN 0.451 nan 8.360 nan 0.000 0.458 587 T N -1.190 113.349 114.554 -0.025 0.000 2.909 587 T HA 0.454 4.804 4.350 0.000 0.000 0.286 587 T C -0.423 174.310 174.700 0.054 0.000 1.002 587 T CA -0.944 61.123 62.100 -0.055 0.000 1.074 587 T CB 1.615 70.125 68.868 -0.596 0.000 0.984 587 T HN -0.144 nan 8.240 nan 0.000 0.495 588 D N 0.717 121.270 120.400 0.254 0.000 2.354 588 D HA 0.368 5.008 4.640 0.000 0.000 0.230 588 D C 0.911 177.382 176.300 0.285 0.000 1.361 588 D CA -0.460 53.651 54.000 0.185 0.000 0.992 588 D CB 1.518 42.376 40.800 0.097 0.000 1.409 588 D HN 0.637 nan 8.370 nan 0.000 0.573 589 A N 3.350 126.312 122.820 0.236 0.000 1.917 589 A HA -0.227 4.093 4.320 0.000 0.000 0.219 589 A C 1.814 179.416 177.584 0.031 0.000 1.182 589 A CA 1.943 54.090 52.037 0.183 0.000 0.633 589 A CB -0.190 18.863 19.000 0.088 0.000 0.819 589 A HN 0.557 nan 8.150 nan 0.000 0.448 590 E N -0.120 120.077 120.200 -0.005 0.000 2.072 590 E HA -0.184 4.167 4.350 0.000 0.000 0.191 590 E C 1.986 178.520 176.600 -0.109 0.000 0.985 590 E CA 1.762 58.120 56.400 -0.070 0.000 0.801 590 E CB -0.183 29.485 29.700 -0.054 0.000 0.750 590 E HN 0.437 nan 8.360 nan 0.000 0.452 591 K N -0.163 120.195 120.400 -0.071 0.000 2.097 591 K HA -0.085 4.235 4.320 0.000 0.000 0.206 591 K C 1.980 178.475 176.600 -0.175 0.000 1.049 591 K CA 1.020 57.241 56.287 -0.109 0.000 0.933 591 K CB -0.597 31.860 32.500 -0.073 0.000 0.717 591 K HN 0.234 nan 8.250 nan 0.000 0.442 592 L N -0.063 121.056 121.223 -0.173 0.000 2.046 592 L HA -0.091 4.249 4.340 0.000 0.000 0.208 592 L C 1.880 178.580 176.870 -0.283 0.000 1.077 592 L CA 1.438 56.103 54.840 -0.292 0.000 0.747 592 L CB -0.441 41.326 42.059 -0.488 0.000 0.896 592 L HN 0.020 nan 8.230 nan 0.000 0.432 593 V N -0.445 119.327 119.914 -0.237 0.000 2.343 593 V HA -0.231 3.890 4.120 0.000 0.000 0.247 593 V C 1.629 177.377 176.094 -0.576 0.000 1.051 593 V CA 1.033 63.129 62.300 -0.341 0.000 1.036 593 V CB -0.652 30.959 31.823 -0.354 0.000 0.654 593 V HN 0.523 nan 8.190 nan 0.000 0.451 597 F N 1.531 121.143 119.950 -0.564 0.000 2.134 597 F HA -0.210 4.317 4.527 0.000 0.000 0.299 597 F C 2.193 177.922 175.800 -0.119 0.000 1.097 597 F CA 1.866 59.650 58.000 -0.359 0.000 1.264 597 F CB -0.291 38.671 39.000 -0.064 0.000 1.001 597 F HN 0.218 nan 8.300 nan 0.000 0.479 598 H N -0.694 118.437 119.070 0.101 0.000 2.387 598 H HA -0.128 4.428 4.556 0.000 0.000 0.299 598 H C 2.301 177.683 175.328 0.091 0.000 1.090 598 H CA 0.557 56.678 56.048 0.120 0.000 1.332 598 H CB -0.036 29.757 29.762 0.053 0.000 1.386 598 H HN 0.277 nan 8.280 nan 0.000 0.516 599 A N 1.041 123.889 122.820 0.047 0.000 1.902 599 A HA -0.168 4.152 4.320 0.000 0.000 0.217 599 A C 1.829 179.456 177.584 0.071 0.000 1.181 599 A CA 1.267 53.287 52.037 -0.027 0.000 0.623 599 A CB -0.689 18.187 19.000 -0.206 0.000 0.818 599 A HN 0.241 nan 8.150 nan 0.000 0.443 600 F N -0.226 119.704 119.950 -0.034 0.000 2.095 600 F HA -0.155 4.372 4.527 0.000 0.000 0.298 600 F C 2.243 178.164 175.800 0.202 0.000 1.104 600 F CA 1.366 59.353 58.000 -0.021 0.000 1.232 600 F CB -1.452 37.193 39.000 -0.591 0.000 0.987 600 F HN 0.543 nan 8.300 nan 0.000 0.475 601 H N 0.144 119.404 119.070 0.317 0.000 2.267 601 H HA -0.114 4.443 4.556 0.000 0.000 0.297 601 H C 0.759 176.241 175.328 0.256 0.000 1.080 601 H CA 1.705 57.952 56.048 0.331 0.000 1.278 601 H CB -0.622 29.324 29.762 0.307 0.000 1.365 601 H HN 0.020 nan 8.280 nan 0.000 0.489 605 Q N 1.308 121.102 119.800 -0.010 0.000 2.096 605 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 605 Q C 1.235 177.242 176.000 0.012 0.000 0.982 605 Q CA 1.569 57.341 55.803 -0.052 0.000 0.850 605 Q CB 0.165 28.791 28.738 -0.186 0.000 0.901 605 Q HN 0.327 nan 8.270 nan 0.000 0.422 609 T N 1.719 116.311 114.554 0.064 0.000 2.674 609 T HA -0.017 4.333 4.350 0.000 0.000 0.265 609 T C 1.929 176.668 174.700 0.064 0.000 1.039 609 T CA 1.933 64.067 62.100 0.056 0.000 1.150 609 T CB -0.425 68.466 68.868 0.038 0.000 0.864 609 T HN 0.393 nan 8.240 nan 0.000 0.427 610 A N 1.118 123.977 122.820 0.065 0.000 1.986 610 A HA -0.229 4.091 4.320 0.000 0.000 0.220 610 A C 1.937 179.564 177.584 0.072 0.000 1.171 610 A CA 2.291 54.362 52.037 0.056 0.000 0.640 610 A CB -0.942 18.090 19.000 0.053 0.000 0.811 610 A HN 0.622 nan 8.150 nan 0.000 0.451 611 H N -1.274 117.791 119.070 -0.008 0.000 2.280 611 H HA 0.030 4.586 4.556 0.000 0.000 0.294 611 H C 0.807 176.129 175.328 -0.010 0.000 1.064 611 H CA 1.768 57.808 56.048 -0.013 0.000 1.208 611 H CB -0.378 29.375 29.762 -0.015 0.000 1.365 611 H HN 0.356 nan 8.280 nan 0.000 0.511 612 L N 0.000 121.207 121.223 -0.027 0.000 2.949 612 L HA 0.000 4.340 4.340 0.000 0.000 0.249 612 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 612 L CB 0.000 42.025 42.059 -0.058 0.000 0.961 612 L HN 0.000 nan 8.230 nan 0.000 0.502