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 1dar_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAVKVEYDLK RLRNIGIAAH IDAGKTTTTE RILYYTGRIX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXAAVT TCFWKDHRIN IIDTPGHVDF TIEVERSMRV DATA SEQUENCE LDGAIVVFDS SQGVEPQSET VWRQAEKYKV PRIAFANKMD KTGADLWLVI DATA SEQUENCE RTMQERLGAR PVVMQLPIGR EDTFSGIIDV LRMKAYTYGN DLGTDIREIP DATA SEQUENCE IPEEYLDQAR EYHEKLVEVA ADFDENIMLK YLEGEEPTEE ELVAAIRKGT DATA SEQUENCE IDLKITPVFL GSALKNKGVQ LLLDAVVDYL PSPLDIPPIK GTTPEGEVVE DATA SEQUENCE IHPDPNGPLA ALAFKIMADP YVGRLTFIRV YSGTLTSGSY VYNTTKGRKE DATA SEQUENCE RVARLLRMHA NHREEVEELK AGDLGAVVGL KETITGDTLV GEDAPRVILE DATA SEQUENCE SXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXEEDPTFRV STHXXXXQTI DATA SEQUENCE ISGMGELXXX XXXXXLKREF KVDANVGKPQ VAYRETITKP VDVEGKFIRQ DATA SEQUENCE TGGRGQYGHV KIKVEPLPRG SGFEFVNAIV GGVIPKEYIP AVQKGIEEAM DATA SEQUENCE QSGPLIGFPV VDIKVTLYDG SYHEVDSSEM AFKIAGSMAI KEAVQKGDPV DATA SEQUENCE ILEPIMRVEV TTPEEYMGDV IGDLNARRGQ ILGMEPRGNA QVIRAFVPLA DATA SEQUENCE EMFGYATDLR SKTQGRGSFV MFFDHYQEVP KQVQEKLIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.252 176.300 -0.080 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1 M CB 0.000 32.719 32.600 0.199 0.000 1.302 2 A N 0.214 123.006 122.820 -0.046 0.000 1.271 2 A HA -0.199 4.124 4.320 0.004 0.000 0.306 2 A C 0.222 177.753 177.584 -0.089 0.000 1.266 2 A CA 1.947 53.958 52.037 -0.044 0.000 1.093 2 A CB -2.210 16.770 19.000 -0.033 0.000 1.471 2 A HN 0.988 nan 8.150 nan 0.000 0.723 3 V N 1.835 121.691 119.914 -0.096 0.000 2.539 3 V HA 0.254 4.376 4.120 0.004 0.000 0.300 3 V C 1.075 177.092 176.094 -0.128 0.000 1.019 3 V CA 1.193 63.435 62.300 -0.096 0.000 1.160 3 V CB 0.201 31.972 31.823 -0.087 0.000 0.901 3 V HN 0.719 nan 8.190 nan 0.000 0.481 4 K N 1.610 121.951 120.400 -0.098 0.000 3.035 4 K HA -0.168 4.155 4.320 0.004 0.000 0.262 4 K C -0.228 176.293 176.600 -0.131 0.000 1.024 4 K CA 0.715 56.943 56.287 -0.098 0.000 0.748 4 K CB -1.597 30.847 32.500 -0.094 0.000 1.247 4 K HN 0.647 nan 8.250 nan 0.000 0.482 5 V N 0.858 120.693 119.914 -0.131 0.000 2.572 5 V HA 0.157 4.280 4.120 0.004 0.000 0.291 5 V C 0.534 176.626 176.094 -0.004 0.000 1.039 5 V CA 0.002 62.221 62.300 -0.135 0.000 1.055 5 V CB 1.265 33.044 31.823 -0.072 0.000 0.969 5 V HN 0.358 nan 8.190 nan 0.000 0.482 6 E N 5.217 125.453 120.200 0.061 0.000 2.263 6 E HA 0.379 4.731 4.350 0.004 0.000 0.264 6 E C -0.737 175.986 176.600 0.206 0.000 0.923 6 E CA -0.426 56.035 56.400 0.102 0.000 0.802 6 E CB 1.491 31.215 29.700 0.040 0.000 1.228 6 E HN 0.636 nan 8.360 nan 0.000 0.417 7 Y N 2.184 122.506 120.300 0.037 0.000 2.737 7 Y HA 0.360 4.913 4.550 0.004 0.000 0.190 7 Y C -0.351 175.550 175.900 0.002 0.000 0.946 7 Y CA 0.966 59.085 58.100 0.031 0.000 1.347 7 Y CB 0.106 38.579 38.460 0.021 0.000 1.071 7 Y HN 0.628 nan 8.280 nan 0.000 0.460 8 D N -0.001 119.999 120.400 -0.668 0.000 10.050 8 D HA -0.210 4.432 4.640 0.004 0.000 0.307 8 D C 0.595 176.405 176.300 -0.815 0.000 2.837 8 D CA 0.924 54.549 54.000 -0.624 0.000 2.563 8 D CB -0.216 40.422 40.800 -0.270 0.000 1.087 8 D HN 0.600 nan 8.370 nan 0.000 0.825 9 L N 3.644 124.470 121.223 -0.660 0.000 2.083 9 L HA -0.139 4.203 4.340 0.004 0.000 0.209 9 L C 2.402 179.137 176.870 -0.225 0.000 1.083 9 L CA 1.192 55.794 54.840 -0.396 0.000 0.752 9 L CB -0.116 41.828 42.059 -0.191 0.000 0.899 9 L HN 0.443 nan 8.230 nan 0.000 0.433 10 K N -0.577 119.716 120.400 -0.179 0.000 2.280 10 K HA -0.179 4.143 4.320 0.004 0.000 0.202 10 K C 1.591 178.154 176.600 -0.061 0.000 1.047 10 K CA 0.794 57.026 56.287 -0.091 0.000 0.942 10 K CB 0.033 32.494 32.500 -0.065 0.000 0.739 10 K HN 0.028 nan 8.250 nan 0.000 0.457 11 R N 0.447 120.858 120.500 -0.148 0.000 2.388 11 R HA 0.250 4.592 4.340 0.004 0.000 0.247 11 R C -0.143 176.115 176.300 -0.070 0.000 0.931 11 R CA -0.014 55.982 56.100 -0.173 0.000 1.082 11 R CB 0.130 30.214 30.300 -0.360 0.000 1.135 11 R HN 0.022 nan 8.270 nan 0.000 0.525 12 L N 0.623 121.803 121.223 -0.071 0.000 2.357 12 L HA 0.439 4.781 4.340 0.004 0.000 0.273 12 L C -0.043 176.810 176.870 -0.028 0.000 1.080 12 L CA -0.560 54.242 54.840 -0.064 0.000 0.803 12 L CB 0.864 42.874 42.059 -0.082 0.000 1.174 12 L HN -0.034 nan 8.230 nan 0.000 0.443 13 R N 2.918 123.385 120.500 -0.055 0.000 2.576 13 R HA 0.266 4.608 4.340 0.004 0.000 0.283 13 R C -1.358 174.886 176.300 -0.093 0.000 1.493 13 R CA -0.621 55.440 56.100 -0.065 0.000 1.170 13 R CB 0.825 31.086 30.300 -0.064 0.000 1.189 13 R HN 0.503 nan 8.270 nan 0.000 0.542 14 N N 4.102 122.748 118.700 -0.090 0.000 2.469 14 N HA 0.256 4.998 4.740 0.004 0.000 0.239 14 N C 0.465 175.906 175.510 -0.115 0.000 1.053 14 N CA -0.121 52.866 53.050 -0.105 0.000 0.937 14 N CB 1.388 39.814 38.487 -0.101 0.000 1.163 14 N HN 0.537 nan 8.380 nan 0.000 0.509 15 I N -2.034 118.460 120.570 -0.127 0.000 2.863 15 I HA 0.900 5.073 4.170 0.004 0.000 0.311 15 I C 0.273 176.302 176.117 -0.147 0.000 1.026 15 I CA -1.062 60.159 61.300 -0.132 0.000 1.077 15 I CB 2.168 40.087 38.000 -0.135 0.000 1.262 15 I HN 0.215 nan 8.210 nan 0.000 0.461 16 G N 3.152 111.865 108.800 -0.145 0.000 2.574 16 G HA2 0.715 4.677 3.960 0.004 0.000 0.299 16 G HA3 0.715 4.677 3.960 0.004 0.000 0.299 16 G C -1.273 173.545 174.900 -0.137 0.000 1.298 16 G CA -0.817 44.192 45.100 -0.151 0.000 0.952 16 G HN 0.623 nan 8.290 nan 0.000 0.477 17 I N 1.579 122.070 120.570 -0.132 0.000 2.420 17 I HA 0.459 4.632 4.170 0.004 0.000 0.282 17 I C 0.355 176.407 176.117 -0.108 0.000 1.019 17 I CA -0.683 60.544 61.300 -0.121 0.000 1.130 17 I CB 1.643 39.569 38.000 -0.123 0.000 1.262 17 I HN 0.547 nan 8.210 nan 0.000 0.454 18 A N 5.521 128.278 122.820 -0.104 0.000 2.301 18 A HA 0.954 5.276 4.320 0.004 0.000 0.312 18 A C -0.283 177.247 177.584 -0.090 0.000 1.182 18 A CA -0.259 51.724 52.037 -0.090 0.000 0.826 18 A CB 1.173 20.124 19.000 -0.082 0.000 1.134 18 A HN 0.852 nan 8.150 nan 0.000 0.501 19 A N 1.404 124.188 122.820 -0.060 0.000 2.599 19 A HA 0.569 4.891 4.320 0.004 0.000 0.294 19 A C -0.877 176.719 177.584 0.021 0.000 1.055 19 A CA -0.619 51.395 52.037 -0.037 0.000 0.683 19 A CB 0.494 19.470 19.000 -0.039 0.000 1.278 19 A HN 1.084 nan 8.150 nan 0.000 0.412 20 H N 1.740 120.799 119.070 -0.019 0.000 2.629 20 H HA 0.393 4.952 4.556 0.004 0.000 0.357 20 H C 0.127 175.457 175.328 0.003 0.000 1.121 20 H CA 0.197 56.252 56.048 0.010 0.000 1.406 20 H CB 0.585 30.369 29.762 0.037 0.000 1.456 20 H HN 0.585 nan 8.280 nan 0.000 0.579 21 I N 4.532 124.902 120.570 -0.334 0.000 2.906 21 I HA -0.288 3.884 4.170 0.004 0.000 0.301 21 I C 0.559 176.723 176.117 0.078 0.000 1.221 21 I CA 1.134 62.355 61.300 -0.131 0.000 1.435 21 I CB 0.023 37.903 38.000 -0.200 0.000 1.345 21 I HN 0.829 nan 8.210 nan 0.000 0.558 22 D N 2.902 123.332 120.400 0.050 0.000 2.704 22 D HA -0.211 4.432 4.640 0.004 0.000 0.186 22 D C 1.441 177.782 176.300 0.068 0.000 0.957 22 D CA 1.106 55.144 54.000 0.062 0.000 1.011 22 D CB -0.673 40.171 40.800 0.074 0.000 1.064 22 D HN 0.705 nan 8.370 nan 0.000 0.453 23 A N 0.454 123.328 122.820 0.090 0.000 1.986 23 A HA 0.314 4.637 4.320 0.004 0.000 0.220 23 A C 2.080 179.693 177.584 0.048 0.000 1.171 23 A CA 2.429 54.509 52.037 0.070 0.000 0.640 23 A CB -0.370 18.672 19.000 0.070 0.000 0.811 23 A HN 1.292 nan 8.150 nan 0.000 0.451 24 G N -1.372 107.451 108.800 0.039 0.000 2.157 24 G HA2 -0.171 3.792 3.960 0.004 0.000 0.118 24 G HA3 -0.171 3.792 3.960 0.004 0.000 0.118 24 G C 0.679 175.595 174.900 0.026 0.000 1.032 24 G CA 0.838 45.961 45.100 0.037 0.000 0.697 24 G HN 0.548 nan 8.290 nan 0.000 0.495 25 K N 0.189 120.590 120.400 0.003 0.000 2.044 25 K HA -0.187 4.135 4.320 0.004 0.000 0.210 25 K C 2.676 179.253 176.600 -0.038 0.000 1.049 25 K CA 2.626 58.898 56.287 -0.026 0.000 0.927 25 K CB -0.336 32.136 32.500 -0.045 0.000 0.713 25 K HN 0.563 nan 8.250 nan 0.000 0.443 26 T N -1.454 113.081 114.554 -0.032 0.000 2.857 26 T HA -0.058 4.294 4.350 0.004 0.000 0.266 26 T C 1.829 176.514 174.700 -0.025 0.000 1.048 26 T CA 1.847 63.926 62.100 -0.034 0.000 1.139 26 T CB -0.473 68.376 68.868 -0.031 0.000 0.874 26 T HN 0.262 nan 8.240 nan 0.000 0.455 27 T N 1.812 116.359 114.554 -0.013 0.000 2.881 27 T HA -0.082 4.270 4.350 0.004 0.000 0.270 27 T C 2.243 176.935 174.700 -0.013 0.000 1.068 27 T CA 1.937 64.033 62.100 -0.007 0.000 1.131 27 T CB -0.772 68.100 68.868 0.006 0.000 0.871 27 T HN 0.795 nan 8.240 nan 0.000 0.479 28 T N 0.079 114.617 114.554 -0.027 0.000 2.978 28 T HA -0.054 4.299 4.350 0.004 0.000 0.262 28 T C 2.080 176.717 174.700 -0.105 0.000 1.063 28 T CA 1.313 63.363 62.100 -0.083 0.000 1.140 28 T CB -0.704 68.086 68.868 -0.130 0.000 0.886 28 T HN 0.272 nan 8.240 nan 0.000 0.470 29 T N 1.617 116.123 114.554 -0.081 0.000 2.708 29 T HA -0.048 4.304 4.350 0.004 0.000 0.266 29 T C 1.778 176.460 174.700 -0.030 0.000 1.037 29 T CA 1.696 63.751 62.100 -0.075 0.000 1.146 29 T CB -0.408 68.419 68.868 -0.069 0.000 0.865 29 T HN 0.579 nan 8.240 nan 0.000 0.435 30 E N 0.842 121.037 120.200 -0.009 0.000 2.049 30 E HA -0.190 4.163 4.350 0.004 0.000 0.198 30 E C 2.539 179.189 176.600 0.084 0.000 1.007 30 E CA 1.089 57.504 56.400 0.026 0.000 0.809 30 E CB 0.094 29.798 29.700 0.008 0.000 0.749 30 E HN 0.161 nan 8.360 nan 0.000 0.450 31 R N 0.247 120.795 120.500 0.080 0.000 2.083 31 R HA -0.133 4.209 4.340 0.004 0.000 0.237 31 R C 2.501 179.008 176.300 0.346 0.000 1.137 31 R CA 1.226 57.461 56.100 0.224 0.000 0.951 31 R CB -0.892 29.479 30.300 0.119 0.000 0.851 31 R HN 0.389 nan 8.270 nan 0.000 0.434 32 I N 0.749 121.364 120.570 0.076 0.000 2.163 32 I HA -0.288 3.884 4.170 0.004 0.000 0.243 32 I C 2.061 178.223 176.117 0.074 0.000 1.085 32 I CA 1.097 62.386 61.300 -0.019 0.000 1.347 32 I CB -0.257 37.651 38.000 -0.154 0.000 1.044 32 I HN 0.055 nan 8.210 nan 0.000 0.408 33 L N -0.180 121.091 121.223 0.081 0.000 2.093 33 L HA -0.234 4.109 4.340 0.004 0.000 0.208 33 L C 2.414 179.367 176.870 0.138 0.000 1.085 33 L CA 1.781 56.673 54.840 0.087 0.000 0.755 33 L CB -1.429 40.667 42.059 0.061 0.000 0.904 33 L HN 0.302 nan 8.230 nan 0.000 0.435 34 Y N -1.521 118.807 120.300 0.047 0.000 2.242 34 Y HA -0.284 4.269 4.550 0.004 0.000 0.291 34 Y C 2.337 178.189 175.900 -0.080 0.000 1.137 34 Y CA 1.561 59.648 58.100 -0.023 0.000 1.181 34 Y CB -0.326 38.089 38.460 -0.076 0.000 0.989 34 Y HN 0.155 nan 8.280 nan 0.000 0.527 35 Y N 0.491 120.780 120.300 -0.019 0.000 2.176 35 Y HA -0.151 4.401 4.550 0.003 0.000 0.291 35 Y C 2.895 178.855 175.900 0.101 0.000 1.122 35 Y CA 2.141 60.202 58.100 -0.065 0.000 1.128 35 Y CB -0.918 37.554 38.460 0.020 0.000 1.005 35 Y HN 0.213 nan 8.280 nan 0.000 0.509 36 T N -2.530 112.199 114.554 0.291 0.000 2.833 36 T HA -0.101 4.251 4.350 0.004 0.000 0.269 36 T C 1.655 176.487 174.700 0.220 0.000 1.054 36 T CA 1.022 63.359 62.100 0.395 0.000 1.135 36 T CB -0.949 68.094 68.868 0.291 0.000 0.869 36 T HN 0.331 nan 8.240 nan 0.000 0.466 37 G N 2.077 110.935 108.800 0.096 0.000 3.343 37 G HA2 0.464 4.426 3.960 0.004 0.000 0.264 37 G HA3 0.464 4.426 3.960 0.004 0.000 0.264 37 G C 0.555 175.423 174.900 -0.053 0.000 0.884 37 G CA -0.633 44.495 45.100 0.046 0.000 1.916 37 G HN 0.748 nan 8.290 nan 0.000 0.618 38 R N -1.696 118.783 120.500 -0.035 0.000 2.519 38 R HA 0.308 4.650 4.340 0.004 0.000 0.050 38 R C -0.229 176.040 176.300 -0.051 0.000 0.501 38 R CA 0.288 56.342 56.100 -0.078 0.000 0.746 38 R CB -1.617 28.570 30.300 -0.187 0.000 0.882 38 R HN 1.076 nan 8.270 nan 0.000 0.576 68 A N 0.982 123.352 122.820 -0.750 0.000 2.042 68 A HA 0.286 4.608 4.320 0.004 0.000 0.222 68 A C 0.830 178.159 177.584 -0.425 0.000 1.167 68 A CA 2.324 53.937 52.037 -0.706 0.000 0.649 68 A CB -0.271 18.003 19.000 -1.211 0.000 0.809 68 A HN 1.741 nan 8.150 nan 0.000 0.457 69 V N -0.359 119.281 119.914 -0.456 0.000 2.653 69 V HA 0.349 4.472 4.120 0.004 0.000 0.298 69 V C -0.729 175.340 176.094 -0.040 0.000 1.097 69 V CA -0.613 61.623 62.300 -0.105 0.000 0.908 69 V CB 1.710 33.587 31.823 0.091 0.000 1.024 69 V HN 0.189 nan 8.190 nan 0.000 0.435 70 T N 2.627 117.139 114.554 -0.070 0.000 2.895 70 T HA 0.654 5.007 4.350 0.004 0.000 0.283 70 T C -0.161 174.462 174.700 -0.129 0.000 1.014 70 T CA -0.393 61.661 62.100 -0.077 0.000 1.037 70 T CB 1.976 70.803 68.868 -0.070 0.000 1.006 70 T HN 0.712 nan 8.240 nan 0.000 0.468 71 T N 0.738 115.159 114.554 -0.222 0.000 2.924 71 T HA 0.733 5.085 4.350 0.004 0.000 0.291 71 T C -0.688 173.822 174.700 -0.316 0.000 1.045 71 T CA -0.511 61.415 62.100 -0.291 0.000 1.015 71 T CB 0.313 68.973 68.868 -0.346 0.000 1.103 71 T HN 1.050 nan 8.240 nan 0.000 0.496 72 C N 1.538 120.686 119.300 -0.254 0.000 3.284 72 C HA 0.861 5.323 4.460 0.004 0.000 0.348 72 C C -1.991 172.903 174.990 -0.161 0.000 1.448 72 C CA -1.255 57.726 59.018 -0.061 0.000 1.223 72 C CB 0.074 27.832 27.740 0.029 0.000 1.588 72 C HN 0.733 nan 8.230 nan 0.000 0.451 73 F N 0.891 120.896 119.950 0.091 0.000 2.551 73 F HA 0.768 5.297 4.527 0.004 0.000 0.316 73 F C -0.408 175.536 175.800 0.240 0.000 1.089 73 F CA -0.358 57.716 58.000 0.124 0.000 0.915 73 F CB 1.721 40.760 39.000 0.065 0.000 1.186 73 F HN 0.879 nan 8.300 nan 0.000 0.456 74 W N 4.780 126.178 121.300 0.162 0.000 3.042 74 W HA 0.276 4.938 4.660 0.003 0.000 0.337 74 W C -0.765 175.847 176.519 0.154 0.000 1.086 74 W CA -1.239 56.168 57.345 0.104 0.000 1.236 74 W CB 1.668 31.133 29.460 0.008 0.000 1.381 74 W HN 0.600 nan 8.180 nan 0.000 0.472 75 K N 5.345 125.460 120.400 -0.475 0.000 3.356 75 K HA -0.268 4.054 4.320 0.004 0.000 0.270 75 K C -0.214 176.459 176.600 0.121 0.000 0.901 75 K CA 1.491 57.645 56.287 -0.222 0.000 0.688 75 K CB -0.919 31.433 32.500 -0.246 0.000 1.460 75 K HN 0.581 nan 8.250 nan 0.000 0.458 76 D N -1.493 118.964 120.400 0.095 0.000 3.041 76 D HA -0.157 4.486 4.640 0.004 0.000 0.220 76 D C -0.578 175.708 176.300 -0.025 0.000 1.157 76 D CA 1.463 55.509 54.000 0.077 0.000 0.876 76 D CB -0.940 39.828 40.800 -0.053 0.000 1.107 76 D HN 0.616 nan 8.370 nan 0.000 0.422 77 H N -0.520 118.638 119.070 0.146 0.000 2.572 77 H HA 0.469 5.027 4.556 0.004 0.000 0.359 77 H C 0.390 175.630 175.328 -0.147 0.000 1.134 77 H CA -0.704 55.360 56.048 0.026 0.000 1.187 77 H CB 1.406 31.173 29.762 0.008 0.000 1.597 77 H HN -0.061 nan 8.280 nan 0.000 0.524 78 R N 3.291 123.624 120.500 -0.278 0.000 2.254 78 R HA 0.415 4.757 4.340 0.004 0.000 0.318 78 R C -1.068 175.034 176.300 -0.330 0.000 1.031 78 R CA -0.427 55.234 56.100 -0.732 0.000 0.905 78 R CB 0.334 30.236 30.300 -0.664 0.000 1.050 78 R HN 0.623 nan 8.270 nan 0.000 0.456 79 I N 4.322 124.702 120.570 -0.316 0.000 2.382 79 I HA 0.226 4.399 4.170 0.004 0.000 0.286 79 I C -0.603 175.394 176.117 -0.200 0.000 1.002 79 I CA -0.858 60.333 61.300 -0.181 0.000 1.135 79 I CB 1.756 39.685 38.000 -0.118 0.000 1.288 79 I HN 0.525 nan 8.210 nan 0.000 0.448 80 N N 7.787 126.390 118.700 -0.162 0.000 2.437 80 N HA 0.446 5.189 4.740 0.004 0.000 0.259 80 N C -0.573 174.860 175.510 -0.128 0.000 0.983 80 N CA -0.304 52.662 53.050 -0.140 0.000 0.937 80 N CB 1.923 40.348 38.487 -0.105 0.000 1.122 80 N HN 0.466 nan 8.380 nan 0.000 0.499 81 I N 3.916 124.411 120.570 -0.125 0.000 2.282 81 I HA 0.265 4.437 4.170 0.004 0.000 0.290 81 I C 0.440 176.482 176.117 -0.126 0.000 1.090 81 I CA -0.442 60.781 61.300 -0.127 0.000 1.231 81 I CB 0.375 38.302 38.000 -0.121 0.000 1.434 81 I HN 0.250 nan 8.210 nan 0.000 0.487 82 I N 5.068 125.549 120.570 -0.148 0.000 2.471 82 I HA 0.011 4.184 4.170 0.004 0.000 0.286 82 I C 0.484 176.491 176.117 -0.183 0.000 1.079 82 I CA 0.009 61.198 61.300 -0.184 0.000 1.398 82 I CB 0.550 38.386 38.000 -0.273 0.000 1.403 82 I HN 0.531 nan 8.210 nan 0.000 0.530 83 D N 5.318 125.617 120.400 -0.168 0.000 2.351 83 D HA 0.155 4.798 4.640 0.004 0.000 0.251 83 D C -0.184 176.013 176.300 -0.171 0.000 1.137 83 D CA -0.105 53.802 54.000 -0.155 0.000 0.879 83 D CB 0.843 41.556 40.800 -0.145 0.000 1.181 83 D HN 0.563 nan 8.370 nan 0.000 0.448 84 T N 1.531 115.988 114.554 -0.161 0.000 2.902 84 T HA 0.547 4.899 4.350 0.004 0.000 0.283 84 T C -2.372 172.222 174.700 -0.177 0.000 1.009 84 T CA -1.998 60.003 62.100 -0.165 0.000 1.051 84 T CB 1.295 70.076 68.868 -0.146 0.000 0.999 84 T HN 0.160 nan 8.240 nan 0.000 0.474 85 P HA 0.157 nan 4.420 nan 0.000 0.260 85 P C 1.225 178.330 177.300 -0.325 0.000 1.185 85 P CA 0.051 62.973 63.100 -0.297 0.000 0.763 85 P CB 0.149 31.754 31.700 -0.157 0.000 0.776 86 G N 2.793 111.325 108.800 -0.447 0.000 2.408 86 G HA2 -0.173 3.789 3.960 0.004 0.000 0.217 86 G HA3 -0.173 3.789 3.960 0.004 0.000 0.217 86 G C 0.136 174.906 174.900 -0.218 0.000 1.150 86 G CA 0.378 45.305 45.100 -0.288 0.000 0.776 86 G HN 0.699 nan 8.290 nan 0.000 0.542 87 H N 0.074 119.149 119.070 0.009 0.000 3.014 87 H HA 0.523 5.081 4.556 0.004 0.000 0.266 87 H C -0.305 175.050 175.328 0.044 0.000 1.455 87 H CA -1.322 54.747 56.048 0.034 0.000 1.402 87 H CB -0.046 29.772 29.762 0.094 0.000 1.626 87 H HN -0.086 nan 8.280 nan 0.000 0.520 88 V N 3.997 123.968 119.914 0.095 0.000 2.356 88 V HA 0.018 4.140 4.120 0.004 0.000 0.244 88 V C 0.740 176.898 176.094 0.108 0.000 1.120 88 V CA 1.180 63.529 62.300 0.083 0.000 1.181 88 V CB -0.939 30.902 31.823 0.030 0.000 1.244 88 V HN 1.138 nan 8.190 nan 0.000 0.487 89 D N 2.747 123.241 120.400 0.156 0.000 1.779 89 D HA -0.127 4.515 4.640 0.004 0.000 0.814 89 D C 0.437 176.796 176.300 0.099 0.000 0.417 89 D CA -0.301 53.745 54.000 0.075 0.000 1.336 89 D CB -0.354 40.453 40.800 0.011 0.000 1.059 89 D HN 0.364 nan 8.370 nan 0.000 0.370 90 F N 3.986 123.959 119.950 0.038 0.000 2.662 90 F HA 0.307 4.836 4.527 0.004 0.000 0.343 90 F C 1.518 177.346 175.800 0.046 0.000 1.302 90 F CA 0.532 58.520 58.000 -0.020 0.000 1.142 90 F CB -0.211 38.705 39.000 -0.139 0.000 1.524 90 F HN -0.096 nan 8.300 nan 0.000 0.668 91 T N 4.821 119.564 114.554 0.314 0.000 2.649 91 T HA -0.303 4.049 4.350 0.004 0.000 0.268 91 T C 2.352 177.220 174.700 0.281 0.000 1.036 91 T CA 2.297 64.554 62.100 0.261 0.000 1.157 91 T CB -0.272 68.721 68.868 0.208 0.000 0.861 91 T HN 0.573 nan 8.240 nan 0.000 0.445 92 I N 0.830 121.634 120.570 0.391 0.000 2.118 92 I HA -0.243 3.929 4.170 0.004 0.000 0.241 92 I C 2.716 178.875 176.117 0.070 0.000 1.070 92 I CA 1.693 63.138 61.300 0.242 0.000 1.327 92 I CB -0.499 37.702 38.000 0.335 0.000 1.034 92 I HN 0.364 nan 8.210 nan 0.000 0.405 93 E N 0.361 120.551 120.200 -0.016 0.000 2.047 93 E HA -0.155 4.197 4.350 0.004 0.000 0.191 93 E C 2.346 178.907 176.600 -0.064 0.000 0.987 93 E CA 1.394 57.718 56.400 -0.126 0.000 0.799 93 E CB -0.045 29.508 29.700 -0.247 0.000 0.752 93 E HN 0.310 nan 8.360 nan 0.000 0.449 94 V N 1.661 121.588 119.914 0.020 0.000 2.295 94 V HA -0.236 3.887 4.120 0.004 0.000 0.246 94 V C 2.377 178.390 176.094 -0.135 0.000 1.049 94 V CA 1.631 63.922 62.300 -0.014 0.000 1.024 94 V CB -0.509 31.365 31.823 0.086 0.000 0.648 94 V HN 0.238 nan 8.190 nan 0.000 0.447 95 E N 0.491 120.630 120.200 -0.102 0.000 2.033 95 E HA -0.266 4.086 4.350 0.004 0.000 0.199 95 E C 2.488 178.834 176.600 -0.423 0.000 1.011 95 E CA 1.831 58.041 56.400 -0.317 0.000 0.815 95 E CB -0.178 29.516 29.700 -0.011 0.000 0.755 95 E HN 0.455 nan 8.360 nan 0.000 0.451 96 R N -0.065 120.310 120.500 -0.207 0.000 2.070 96 R HA -0.092 4.250 4.340 0.004 0.000 0.233 96 R C 2.613 178.766 176.300 -0.245 0.000 1.137 96 R CA 1.667 57.662 56.100 -0.175 0.000 0.945 96 R CB -0.197 30.059 30.300 -0.073 0.000 0.845 96 R HN 0.057 nan 8.270 nan 0.000 0.430 97 S N 0.347 115.893 115.700 -0.257 0.000 2.402 97 S HA -0.156 4.317 4.470 0.004 0.000 0.233 97 S C 1.789 176.201 174.600 -0.314 0.000 1.030 97 S CA 1.236 59.246 58.200 -0.316 0.000 1.003 97 S CB -0.084 62.963 63.200 -0.256 0.000 0.813 97 S HN 0.281 nan 8.310 nan 0.000 0.477 98 M N 0.624 120.014 119.600 -0.350 0.000 2.394 98 M HA 0.088 4.571 4.480 0.004 0.000 0.264 98 M C 1.897 178.034 176.300 -0.272 0.000 1.073 98 M CA 0.968 56.067 55.300 -0.335 0.000 1.111 98 M CB -0.873 31.434 32.600 -0.490 0.000 1.401 98 M HN 0.210 nan 8.290 nan 0.000 0.448 99 R N 0.160 120.495 120.500 -0.275 0.000 2.127 99 R HA -0.012 4.330 4.340 0.004 0.000 0.217 99 R C 2.223 178.513 176.300 -0.017 0.000 1.074 99 R CA 1.238 57.265 56.100 -0.122 0.000 0.991 99 R CB -0.566 29.673 30.300 -0.102 0.000 0.895 99 R HN 0.459 nan 8.270 nan 0.000 0.450 100 V N 0.088 119.926 119.914 -0.126 0.000 2.591 100 V HA 0.084 4.206 4.120 0.004 0.000 0.249 100 V C 1.459 177.448 176.094 -0.175 0.000 1.053 100 V CA 0.625 62.838 62.300 -0.145 0.000 1.068 100 V CB -0.726 30.841 31.823 -0.427 0.000 0.689 100 V HN 0.102 nan 8.190 nan 0.000 0.462 101 L N -0.564 120.538 121.223 -0.201 0.000 2.416 101 L HA 0.565 4.908 4.340 0.004 0.000 0.262 101 L C 0.306 177.115 176.870 -0.101 0.000 1.093 101 L CA -0.109 54.632 54.840 -0.165 0.000 0.801 101 L CB 1.320 43.263 42.059 -0.194 0.000 1.191 101 L HN 0.029 nan 8.230 nan 0.000 0.459 102 D N 1.189 121.535 120.400 -0.090 0.000 2.454 102 D HA 0.286 4.929 4.640 0.004 0.000 0.214 102 D C 0.623 176.885 176.300 -0.064 0.000 1.088 102 D CA 0.467 54.430 54.000 -0.061 0.000 0.855 102 D CB 1.331 42.101 40.800 -0.051 0.000 1.025 102 D HN 0.774 nan 8.370 nan 0.000 0.502 103 G N -0.180 108.571 108.800 -0.082 0.000 2.718 103 G HA2 0.636 4.599 3.960 0.004 0.000 0.295 103 G HA3 0.636 4.599 3.960 0.004 0.000 0.295 103 G C -1.588 173.254 174.900 -0.097 0.000 1.421 103 G CA -0.408 44.645 45.100 -0.079 0.000 0.902 103 G HN 0.137 nan 8.290 nan 0.000 0.501 104 A N 0.391 123.152 122.820 -0.098 0.000 2.384 104 A HA 0.860 5.183 4.320 0.004 0.000 0.312 104 A C -0.867 176.666 177.584 -0.084 0.000 1.113 104 A CA -0.691 51.280 52.037 -0.109 0.000 0.779 104 A CB 1.333 20.254 19.000 -0.132 0.000 1.307 104 A HN 0.666 nan 8.150 nan 0.000 0.436 105 I N 2.205 122.722 120.570 -0.088 0.000 2.437 105 I HA 0.241 4.413 4.170 0.004 0.000 0.279 105 I C -0.829 175.251 176.117 -0.062 0.000 1.028 105 I CA -0.624 60.642 61.300 -0.056 0.000 1.142 105 I CB 1.616 39.555 38.000 -0.102 0.000 1.266 105 I HN 0.320 nan 8.210 nan 0.000 0.461 106 V N 7.440 127.329 119.914 -0.042 0.000 2.432 106 V HA 0.223 4.345 4.120 0.004 0.000 0.271 106 V C 0.288 176.196 176.094 -0.310 0.000 1.046 106 V CA -0.472 61.725 62.300 -0.171 0.000 0.945 106 V CB 1.453 33.218 31.823 -0.097 0.000 0.992 106 V HN 0.333 nan 8.190 nan 0.000 0.471 107 V N 6.126 125.844 119.914 -0.327 0.000 2.427 107 V HA 0.539 4.661 4.120 0.004 0.000 0.286 107 V C -0.415 175.452 176.094 -0.379 0.000 1.034 107 V CA -0.350 61.836 62.300 -0.190 0.000 0.893 107 V CB 1.309 33.147 31.823 0.026 0.000 0.982 107 V HN 0.647 nan 8.190 nan 0.000 0.452 108 F N 1.717 121.687 119.950 0.034 0.000 2.538 108 F HA 0.450 4.979 4.527 0.004 0.000 0.325 108 F C 0.239 175.991 175.800 -0.080 0.000 1.066 108 F CA -1.060 56.924 58.000 -0.026 0.000 0.946 108 F CB 1.355 40.314 39.000 -0.067 0.000 1.199 108 F HN 0.386 nan 8.300 nan 0.000 0.473 109 D N 0.822 121.296 120.400 0.123 0.000 2.339 109 D HA 0.105 4.748 4.640 0.004 0.000 0.241 109 D C 0.615 176.897 176.300 -0.030 0.000 1.183 109 D CA 0.215 54.225 54.000 0.016 0.000 0.859 109 D CB 1.353 42.161 40.800 0.014 0.000 1.067 109 D HN 0.441 nan 8.370 nan 0.000 0.484 110 S N 1.749 117.389 115.700 -0.099 0.000 2.571 110 S HA -0.117 4.355 4.470 0.004 0.000 0.245 110 S C 1.395 175.919 174.600 -0.127 0.000 0.976 110 S CA 0.913 59.020 58.200 -0.154 0.000 0.954 110 S CB -0.071 62.985 63.200 -0.239 0.000 0.756 110 S HN 0.590 nan 8.310 nan 0.000 0.535 111 S N -0.766 114.881 115.700 -0.088 0.000 2.650 111 S HA 0.320 4.793 4.470 0.004 0.000 0.240 111 S C 0.855 175.419 174.600 -0.060 0.000 1.007 111 S CA -0.577 57.581 58.200 -0.070 0.000 0.984 111 S CB 0.331 63.498 63.200 -0.055 0.000 0.910 111 S HN 0.238 nan 8.310 nan 0.000 0.509 112 Q N 0.543 120.303 119.800 -0.066 0.000 2.101 112 Q HA 0.312 4.655 4.340 0.004 0.000 0.236 112 Q C 1.118 177.067 176.000 -0.086 0.000 0.772 112 Q CA 0.552 56.314 55.803 -0.068 0.000 0.944 112 Q CB 0.926 29.623 28.738 -0.068 0.000 1.171 112 Q HN 0.611 nan 8.270 nan 0.000 0.463 113 G N 1.452 110.187 108.800 -0.108 0.000 2.692 113 G HA2 -0.297 3.665 3.960 0.004 0.000 0.248 113 G HA3 -0.297 3.665 3.960 0.004 0.000 0.248 113 G C 0.005 174.812 174.900 -0.155 0.000 1.340 113 G CA -0.205 44.786 45.100 -0.182 0.000 0.896 113 G HN 0.094 nan 8.290 nan 0.000 0.570 114 V N 1.159 120.925 119.914 -0.248 0.000 2.720 114 V HA 0.310 4.432 4.120 0.004 0.000 0.307 114 V C 0.904 176.977 176.094 -0.036 0.000 1.071 114 V CA 1.368 63.599 62.300 -0.116 0.000 1.199 114 V CB 0.951 32.659 31.823 -0.192 0.000 0.900 114 V HN 0.739 nan 8.190 nan 0.000 0.494 115 E N 4.872 125.091 120.200 0.032 0.000 2.392 115 E HA 0.339 4.691 4.350 0.004 0.000 0.269 115 E C -1.953 174.655 176.600 0.012 0.000 0.924 115 E CA -1.810 54.536 56.400 -0.090 0.000 0.784 115 E CB 2.241 31.730 29.700 -0.352 0.000 1.292 115 E HN 0.300 nan 8.360 nan 0.000 0.447 116 P HA -0.294 nan 4.420 nan 0.000 0.212 116 P C 0.955 178.391 177.300 0.226 0.000 1.128 116 P CA 1.770 64.948 63.100 0.131 0.000 0.961 116 P CB 0.199 31.994 31.700 0.158 0.000 0.782 117 Q N -1.112 118.940 119.800 0.419 0.000 2.181 117 Q HA -0.131 4.211 4.340 0.004 0.000 0.205 117 Q C 2.193 178.328 176.000 0.226 0.000 0.980 117 Q CA 1.904 57.866 55.803 0.264 0.000 0.862 117 Q CB -0.479 28.341 28.738 0.137 0.000 0.905 117 Q HN 0.246 nan 8.270 nan 0.000 0.429 118 S N 0.493 116.350 115.700 0.262 0.000 2.368 118 S HA -0.176 4.296 4.470 0.004 0.000 0.225 118 S C 1.602 176.396 174.600 0.324 0.000 1.030 118 S CA 1.212 59.569 58.200 0.262 0.000 0.999 118 S CB -0.185 63.206 63.200 0.319 0.000 0.844 118 S HN 0.404 nan 8.310 nan 0.000 0.459 119 E N 0.805 121.157 120.200 0.254 0.000 2.077 119 E HA -0.108 4.244 4.350 0.004 0.000 0.193 119 E C 2.217 178.978 176.600 0.268 0.000 0.989 119 E CA 1.573 58.123 56.400 0.249 0.000 0.800 119 E CB -0.343 29.445 29.700 0.147 0.000 0.746 119 E HN 0.542 nan 8.360 nan 0.000 0.452 120 T N 0.941 115.615 114.554 0.200 0.000 2.708 120 T HA -0.139 4.213 4.350 0.004 0.000 0.266 120 T C 2.214 177.010 174.700 0.158 0.000 1.037 120 T CA 1.451 63.645 62.100 0.156 0.000 1.146 120 T CB -0.492 68.446 68.868 0.116 0.000 0.865 120 T HN 0.002 nan 8.240 nan 0.000 0.435 121 V N 0.275 120.286 119.914 0.162 0.000 2.469 121 V HA -0.156 3.966 4.120 0.004 0.000 0.251 121 V C 2.131 178.282 176.094 0.096 0.000 1.064 121 V CA 1.171 63.537 62.300 0.109 0.000 1.066 121 V CB -0.962 30.906 31.823 0.076 0.000 0.667 121 V HN 0.590 nan 8.190 nan 0.000 0.461 122 W N 1.609 122.950 121.300 0.067 0.000 2.354 122 W HA -0.140 4.522 4.660 0.004 0.000 0.315 122 W C 2.774 179.327 176.519 0.058 0.000 1.206 122 W CA 1.939 59.328 57.345 0.075 0.000 1.290 122 W CB -0.223 29.299 29.460 0.103 0.000 1.152 122 W HN 0.203 nan 8.180 nan 0.000 0.489 123 R N 0.181 120.811 120.500 0.217 0.000 2.096 123 R HA -0.178 4.164 4.340 0.004 0.000 0.235 123 R C 2.127 178.423 176.300 -0.008 0.000 1.127 123 R CA 1.500 57.666 56.100 0.110 0.000 0.968 123 R CB -0.796 29.577 30.300 0.121 0.000 0.861 123 R HN 0.432 nan 8.270 nan 0.000 0.440 124 Q N 0.636 120.452 119.800 0.026 0.000 2.030 124 Q HA -0.111 4.232 4.340 0.004 0.000 0.204 124 Q C 2.274 178.304 176.000 0.050 0.000 0.986 124 Q CA 1.737 57.582 55.803 0.069 0.000 0.843 124 Q CB -0.301 28.523 28.738 0.143 0.000 0.904 124 Q HN 0.370 nan 8.270 nan 0.000 0.420 125 A N 0.606 123.385 122.820 -0.068 0.000 2.084 125 A HA -0.259 4.064 4.320 0.004 0.000 0.221 125 A C 1.830 179.312 177.584 -0.171 0.000 1.161 125 A CA 1.810 53.753 52.037 -0.156 0.000 0.653 125 A CB -0.318 18.444 19.000 -0.397 0.000 0.802 125 A HN 0.278 nan 8.150 nan 0.000 0.457 126 E N 0.141 120.226 120.200 -0.192 0.000 2.075 126 E HA -0.064 4.288 4.350 0.004 0.000 0.190 126 E C 1.947 178.450 176.600 -0.162 0.000 0.969 126 E CA 1.292 57.605 56.400 -0.146 0.000 0.815 126 E CB -0.130 29.516 29.700 -0.089 0.000 0.776 126 E HN 0.742 nan 8.360 nan 0.000 0.457 127 K N -0.702 119.531 120.400 -0.277 0.000 2.519 127 K HA -0.156 4.167 4.320 0.004 0.000 0.196 127 K C 0.502 176.700 176.600 -0.670 0.000 1.041 127 K CA 1.279 57.279 56.287 -0.479 0.000 0.954 127 K CB -0.109 32.024 32.500 -0.611 0.000 0.774 127 K HN 0.216 nan 8.250 nan 0.000 0.480 128 Y N 0.392 120.669 120.300 -0.038 0.000 2.471 128 Y HA 0.258 4.811 4.550 0.004 0.000 0.249 128 Y C 0.016 175.886 175.900 -0.049 0.000 1.116 128 Y CA -0.971 57.105 58.100 -0.039 0.000 1.240 128 Y CB 0.907 39.339 38.460 -0.046 0.000 1.251 128 Y HN -0.035 nan 8.280 nan 0.000 0.527 129 K N 1.580 121.988 120.400 0.013 0.000 3.162 129 K HA -0.158 4.164 4.320 0.004 0.000 0.268 129 K C -0.838 175.753 176.600 -0.015 0.000 1.062 129 K CA 0.632 56.912 56.287 -0.011 0.000 0.769 129 K CB -1.315 31.187 32.500 0.004 0.000 1.274 129 K HN 0.217 nan 8.250 nan 0.000 0.478 130 V N 1.403 121.293 119.914 -0.039 0.000 2.333 130 V HA 0.487 4.610 4.120 0.004 0.000 0.274 130 V C -2.178 173.860 176.094 -0.092 0.000 1.028 130 V CA -1.695 60.572 62.300 -0.056 0.000 0.851 130 V CB 1.125 32.913 31.823 -0.059 0.000 1.000 130 V HN 0.145 nan 8.190 nan 0.000 0.456 131 P HA 0.143 nan 4.420 nan 0.000 0.266 131 P C -0.767 176.491 177.300 -0.070 0.000 1.186 131 P CA 0.496 63.562 63.100 -0.056 0.000 0.767 131 P CB 0.231 31.914 31.700 -0.029 0.000 0.820 132 R N 2.243 122.712 120.500 -0.051 0.000 2.764 132 R HA 0.821 5.163 4.340 0.004 0.000 0.270 132 R C -0.815 175.534 176.300 0.082 0.000 1.014 132 R CA -1.047 55.035 56.100 -0.030 0.000 0.904 132 R CB 1.424 31.639 30.300 -0.142 0.000 1.236 132 R HN 0.451 nan 8.270 nan 0.000 0.466 133 I N -2.690 117.961 120.570 0.135 0.000 3.074 133 I HA 0.911 5.084 4.170 0.004 0.000 0.310 133 I C -1.188 175.105 176.117 0.295 0.000 1.153 133 I CA -1.277 60.177 61.300 0.257 0.000 0.993 133 I CB 2.499 40.695 38.000 0.327 0.000 1.237 133 I HN 0.830 nan 8.210 nan 0.000 0.443 134 A N 2.471 125.525 122.820 0.391 0.000 2.384 134 A HA 0.853 5.175 4.320 0.004 0.000 0.312 134 A C -1.717 176.146 177.584 0.465 0.000 1.113 134 A CA -0.454 51.833 52.037 0.416 0.000 0.779 134 A CB 1.595 20.960 19.000 0.608 0.000 1.307 134 A HN 0.716 nan 8.150 nan 0.000 0.436 135 F N 1.579 121.647 119.950 0.197 0.000 2.553 135 F HA 0.606 5.135 4.527 0.004 0.000 0.335 135 F C 0.138 176.019 175.800 0.135 0.000 1.148 135 F CA -0.806 57.279 58.000 0.142 0.000 0.963 135 F CB 1.488 40.514 39.000 0.043 0.000 1.217 135 F HN 0.690 nan 8.300 nan 0.000 0.441 136 A N 5.284 127.903 122.820 -0.334 0.000 2.807 136 A HA 0.305 4.628 4.320 0.004 0.000 0.307 136 A C -0.077 177.084 177.584 -0.704 0.000 1.532 136 A CA -0.338 51.494 52.037 -0.342 0.000 1.215 136 A CB -0.749 18.068 19.000 -0.306 0.000 1.127 136 A HN 0.754 nan 8.150 nan 0.000 0.543 137 N N 1.317 119.642 118.700 -0.625 0.000 2.445 137 N HA 0.238 4.980 4.740 0.004 0.000 0.264 137 N C 0.197 175.524 175.510 -0.304 0.000 1.227 137 N CA 0.192 52.906 53.050 -0.561 0.000 0.963 137 N CB 0.240 38.630 38.487 -0.162 0.000 1.188 137 N HN 0.531 nan 8.380 nan 0.000 0.491 138 K N 0.439 120.706 120.400 -0.221 0.000 3.338 138 K HA -0.138 4.185 4.320 0.004 0.000 0.292 138 K C 0.300 176.771 176.600 -0.215 0.000 1.268 138 K CA 0.288 56.482 56.287 -0.155 0.000 0.853 138 K CB -1.048 31.393 32.500 -0.099 0.000 1.342 138 K HN 0.519 nan 8.250 nan 0.000 0.501 139 M N 0.698 120.077 119.600 -0.369 0.000 2.629 139 M HA -0.116 4.366 4.480 0.004 0.000 0.257 139 M C 1.522 177.624 176.300 -0.330 0.000 1.071 139 M CA 1.631 56.613 55.300 -0.531 0.000 1.077 139 M CB -0.622 31.306 32.600 -1.120 0.000 1.423 139 M HN 0.323 nan 8.290 nan 0.000 0.508 140 D N -0.722 119.612 120.400 -0.110 0.000 2.346 140 D HA -0.036 4.606 4.640 0.004 0.000 0.206 140 D C 0.788 177.098 176.300 0.015 0.000 1.001 140 D CA 0.032 54.066 54.000 0.056 0.000 0.871 140 D CB 0.191 41.062 40.800 0.118 0.000 0.943 140 D HN 0.257 nan 8.370 nan 0.000 0.518 141 K N 1.237 121.619 120.400 -0.031 0.000 2.326 141 K HA 0.075 4.398 4.320 0.004 0.000 0.275 141 K C -0.388 176.200 176.600 -0.020 0.000 1.018 141 K CA -0.118 56.154 56.287 -0.023 0.000 0.962 141 K CB 0.679 33.156 32.500 -0.039 0.000 0.953 141 K HN -0.234 nan 8.250 nan 0.000 0.475 142 T N 2.733 117.284 114.554 -0.006 0.000 2.765 142 T HA 0.178 4.531 4.350 0.004 0.000 0.284 142 T C 0.896 175.589 174.700 -0.012 0.000 0.946 142 T CA 1.184 63.283 62.100 -0.002 0.000 1.185 142 T CB 0.225 69.095 68.868 0.005 0.000 0.887 142 T HN 0.883 nan 8.240 nan 0.000 0.532 143 G N 2.697 111.489 108.800 -0.014 0.000 2.231 143 G HA2 -0.034 3.929 3.960 0.004 0.000 0.206 143 G HA3 -0.034 3.929 3.960 0.004 0.000 0.206 143 G C 0.331 175.208 174.900 -0.038 0.000 0.996 143 G CA -0.235 44.853 45.100 -0.020 0.000 0.645 143 G HN 1.093 nan 8.290 nan 0.000 0.498 144 A N 0.199 122.985 122.820 -0.057 0.000 2.540 144 A HA 0.506 4.828 4.320 0.004 0.000 0.239 144 A C 0.162 177.686 177.584 -0.100 0.000 1.061 144 A CA 1.526 53.501 52.037 -0.103 0.000 0.758 144 A CB 0.302 19.214 19.000 -0.146 0.000 0.991 144 A HN 1.109 nan 8.150 nan 0.000 0.502 145 D N 1.814 122.134 120.400 -0.134 0.000 2.548 145 D HA 0.122 4.764 4.640 0.004 0.000 0.214 145 D C 0.527 176.682 176.300 -0.241 0.000 1.345 145 D CA -0.617 53.312 54.000 -0.119 0.000 0.945 145 D CB 0.442 41.239 40.800 -0.006 0.000 1.499 145 D HN 0.321 nan 8.370 nan 0.000 0.579 146 L N 3.415 124.372 121.223 -0.445 0.000 2.043 146 L HA -0.115 4.227 4.340 0.004 0.000 0.212 146 L C 1.073 177.567 176.870 -0.628 0.000 1.075 146 L CA 1.629 56.065 54.840 -0.672 0.000 0.752 146 L CB -0.080 41.353 42.059 -1.044 0.000 0.891 146 L HN 0.630 nan 8.230 nan 0.000 0.432 147 W N -0.723 120.495 121.300 -0.136 0.000 2.402 147 W HA -0.197 4.465 4.660 0.003 0.000 0.286 147 W C 2.242 178.684 176.519 -0.128 0.000 1.221 147 W CA -0.007 57.266 57.345 -0.120 0.000 1.257 147 W CB -0.458 28.952 29.460 -0.083 0.000 1.120 147 W HN 0.159 nan 8.180 nan 0.000 0.551 148 L N 0.442 121.691 121.223 0.043 0.000 2.046 148 L HA -0.160 4.182 4.340 0.004 0.000 0.208 148 L C 2.136 178.926 176.870 -0.133 0.000 1.077 148 L CA 1.777 56.596 54.840 -0.035 0.000 0.747 148 L CB -1.082 40.944 42.059 -0.056 0.000 0.896 148 L HN -0.106 nan 8.230 nan 0.000 0.432 149 V N -0.158 119.628 119.914 -0.212 0.000 2.261 149 V HA -0.289 3.834 4.120 0.004 0.000 0.246 149 V C 2.536 178.422 176.094 -0.348 0.000 1.047 149 V CA 1.795 63.887 62.300 -0.346 0.000 1.015 149 V CB -0.640 30.953 31.823 -0.384 0.000 0.642 149 V HN 0.355 nan 8.190 nan 0.000 0.446 150 I N -0.087 120.335 120.570 -0.247 0.000 2.194 150 I HA -0.245 3.927 4.170 0.004 0.000 0.246 150 I C 2.647 178.693 176.117 -0.120 0.000 1.093 150 I CA 1.799 62.999 61.300 -0.166 0.000 1.355 150 I CB -1.246 36.738 38.000 -0.027 0.000 1.046 150 I HN 0.329 nan 8.210 nan 0.000 0.413 151 R N 0.508 120.970 120.500 -0.064 0.000 2.070 151 R HA -0.152 4.190 4.340 0.004 0.000 0.232 151 R C 2.447 178.673 176.300 -0.123 0.000 1.138 151 R CA 2.417 58.481 56.100 -0.059 0.000 0.936 151 R CB -0.738 29.551 30.300 -0.017 0.000 0.839 151 R HN 0.542 nan 8.270 nan 0.000 0.429 152 T N -0.564 113.894 114.554 -0.160 0.000 2.778 152 T HA -0.207 4.145 4.350 0.004 0.000 0.269 152 T C 1.950 176.493 174.700 -0.262 0.000 1.050 152 T CA 1.498 63.484 62.100 -0.190 0.000 1.137 152 T CB -0.222 68.523 68.868 -0.204 0.000 0.860 152 T HN 0.139 nan 8.240 nan 0.000 0.468 153 M N 0.606 119.992 119.600 -0.356 0.000 2.086 153 M HA -0.107 4.376 4.480 0.004 0.000 0.261 153 M C 2.818 178.928 176.300 -0.317 0.000 1.067 153 M CA 1.908 56.939 55.300 -0.448 0.000 1.116 153 M CB -0.437 31.866 32.600 -0.496 0.000 1.348 153 M HN 0.316 nan 8.290 nan 0.000 0.407 154 Q N 0.095 119.769 119.800 -0.210 0.000 2.124 154 Q HA -0.175 4.168 4.340 0.004 0.000 0.202 154 Q C 1.683 177.615 176.000 -0.114 0.000 0.977 154 Q CA 1.491 57.214 55.803 -0.132 0.000 0.850 154 Q CB 0.208 28.898 28.738 -0.081 0.000 0.901 154 Q HN 0.527 nan 8.270 nan 0.000 0.429 155 E N -0.766 119.363 120.200 -0.118 0.000 2.057 155 E HA -0.062 4.290 4.350 0.004 0.000 0.190 155 E C 2.118 178.665 176.600 -0.088 0.000 0.969 155 E CA 0.406 56.753 56.400 -0.089 0.000 0.812 155 E CB 0.164 29.820 29.700 -0.073 0.000 0.777 155 E HN 0.241 nan 8.360 nan 0.000 0.455 156 R N 0.486 120.919 120.500 -0.112 0.000 2.055 156 R HA -0.041 4.302 4.340 0.004 0.000 0.228 156 R C 2.282 178.512 176.300 -0.116 0.000 1.143 156 R CA 0.837 56.884 56.100 -0.088 0.000 0.945 156 R CB -0.619 29.630 30.300 -0.086 0.000 0.841 156 R HN 0.103 nan 8.270 nan 0.000 0.429 157 L N 0.224 121.302 121.223 -0.243 0.000 2.141 157 L HA 0.071 4.413 4.340 0.004 0.000 0.209 157 L C 1.338 178.097 176.870 -0.185 0.000 1.094 157 L CA 1.731 56.352 54.840 -0.365 0.000 0.763 157 L CB -1.288 40.190 42.059 -0.969 0.000 0.908 157 L HN 0.656 nan 8.230 nan 0.000 0.437 158 G N -0.636 108.073 108.800 -0.150 0.000 2.256 158 G HA2 -0.115 3.848 3.960 0.004 0.000 0.272 158 G HA3 -0.115 3.848 3.960 0.004 0.000 0.272 158 G C 0.337 175.221 174.900 -0.027 0.000 1.076 158 G CA 0.269 45.334 45.100 -0.058 0.000 0.882 158 G HN 0.700 nan 8.290 nan 0.000 0.497 159 A N -0.403 122.355 122.820 -0.104 0.000 2.312 159 A HA 0.861 5.184 4.320 0.004 0.000 0.328 159 A C 0.545 178.126 177.584 -0.005 0.000 1.158 159 A CA -0.239 51.785 52.037 -0.021 0.000 0.821 159 A CB 0.750 19.643 19.000 -0.177 0.000 1.170 159 A HN 0.974 nan 8.150 nan 0.000 0.490 160 R N 2.736 123.273 120.500 0.062 0.000 2.593 160 R HA 0.382 4.725 4.340 0.004 0.000 0.282 160 R C -2.710 173.618 176.300 0.047 0.000 1.300 160 R CA -1.320 54.811 56.100 0.051 0.000 1.221 160 R CB -0.051 30.296 30.300 0.079 0.000 1.157 160 R HN 0.392 nan 8.270 nan 0.000 0.555 161 P HA 0.026 nan 4.420 nan 0.000 0.272 161 P C -1.157 176.144 177.300 0.001 0.000 1.240 161 P CA -0.353 62.742 63.100 -0.009 0.000 0.791 161 P CB 0.977 32.642 31.700 -0.058 0.000 0.978 162 V N 1.811 121.702 119.914 -0.039 0.000 2.524 162 V HA 0.127 4.249 4.120 0.004 0.000 0.297 162 V C -0.247 175.784 176.094 -0.106 0.000 1.035 162 V CA -0.747 61.531 62.300 -0.036 0.000 0.867 162 V CB 2.030 33.822 31.823 -0.052 0.000 1.004 162 V HN 0.193 nan 8.190 nan 0.000 0.426 163 V N 6.694 126.578 119.914 -0.049 0.000 2.446 163 V HA 0.141 4.263 4.120 0.004 0.000 0.276 163 V C 1.084 177.099 176.094 -0.131 0.000 1.030 163 V CA 0.367 62.580 62.300 -0.145 0.000 1.033 163 V CB 0.837 32.581 31.823 -0.133 0.000 0.993 163 V HN 0.840 nan 8.190 nan 0.000 0.477 164 M N 3.497 122.936 119.600 -0.268 0.000 2.337 164 M HA 0.322 4.804 4.480 0.004 0.000 0.256 164 M C 0.285 176.534 176.300 -0.086 0.000 1.075 164 M CA 0.466 55.645 55.300 -0.202 0.000 1.024 164 M CB 0.279 32.623 32.600 -0.427 0.000 1.429 164 M HN 0.651 nan 8.290 nan 0.000 0.497 165 Q N 0.493 120.215 119.800 -0.131 0.000 2.482 165 Q HA 0.658 5.000 4.340 0.004 0.000 0.286 165 Q C -1.743 174.191 176.000 -0.110 0.000 1.007 165 Q CA -0.844 54.941 55.803 -0.031 0.000 0.801 165 Q CB 3.070 31.837 28.738 0.048 0.000 1.455 165 Q HN -0.024 nan 8.270 nan 0.000 0.398 166 L N 2.037 123.234 121.223 -0.045 0.000 2.408 166 L HA 0.608 4.950 4.340 0.004 0.000 0.268 166 L C -2.435 174.423 176.870 -0.020 0.000 0.986 166 L CA -2.014 52.784 54.840 -0.070 0.000 0.820 166 L CB 1.623 43.693 42.059 0.019 0.000 1.303 166 L HN 0.464 nan 8.230 nan 0.000 0.411 167 P HA 0.351 nan 4.420 nan 0.000 0.276 167 P C -0.835 176.463 177.300 -0.002 0.000 1.252 167 P CA -0.292 62.893 63.100 0.142 0.000 0.802 167 P CB 1.481 33.225 31.700 0.073 0.000 1.035 168 I N 0.503 121.098 120.570 0.040 0.000 2.439 168 I HA 0.488 4.661 4.170 0.004 0.000 0.283 168 I C 0.503 176.675 176.117 0.091 0.000 1.023 168 I CA -0.098 61.060 61.300 -0.238 0.000 1.100 168 I CB 1.146 38.959 38.000 -0.312 0.000 1.238 168 I HN 0.690 nan 8.210 nan 0.000 0.445 169 G N 5.500 114.451 108.800 0.252 0.000 2.756 169 G HA2 -0.098 3.865 3.960 0.004 0.000 0.678 169 G HA3 -0.098 3.865 3.960 0.004 0.000 0.678 169 G C -0.939 174.130 174.900 0.281 0.000 1.349 169 G CA -0.543 44.701 45.100 0.240 0.000 0.847 169 G HN 0.970 nan 8.290 nan 0.000 0.548 170 R N -0.454 120.180 120.500 0.225 0.000 2.680 170 R HA 0.731 5.074 4.340 0.004 0.000 0.269 170 R C 0.558 176.942 176.300 0.140 0.000 1.026 170 R CA 0.160 56.368 56.100 0.181 0.000 0.889 170 R CB 1.175 31.551 30.300 0.127 0.000 1.241 170 R HN 1.056 nan 8.270 nan 0.000 0.463 171 E N 0.729 120.983 120.200 0.090 0.000 3.333 171 E HA -0.377 3.975 4.350 0.004 0.000 0.342 171 E C 0.104 176.767 176.600 0.105 0.000 1.501 171 E CA 2.073 58.512 56.400 0.064 0.000 1.770 171 E CB -0.997 28.730 29.700 0.044 0.000 1.817 171 E HN 0.985 nan 8.360 nan 0.000 0.485 172 D N 0.457 120.904 120.400 0.078 0.000 2.417 172 D HA -0.122 4.521 4.640 0.004 0.000 0.225 172 D C 1.326 177.681 176.300 0.091 0.000 0.983 172 D CA 1.784 55.830 54.000 0.077 0.000 0.949 172 D CB -0.389 40.443 40.800 0.053 0.000 0.879 172 D HN 0.438 nan 8.370 nan 0.000 0.520 173 T N -4.043 110.581 114.554 0.118 0.000 3.043 173 T HA 0.139 4.491 4.350 0.004 0.000 0.272 173 T C 0.279 175.068 174.700 0.148 0.000 0.990 173 T CA -0.854 61.314 62.100 0.113 0.000 0.897 173 T CB -0.547 68.383 68.868 0.104 0.000 1.111 173 T HN 0.131 nan 8.240 nan 0.000 0.529 174 F N 4.072 124.046 119.950 0.039 0.000 2.607 174 F HA 0.429 4.959 4.527 0.005 0.000 0.374 174 F C 0.827 176.663 175.800 0.060 0.000 1.104 174 F CA 0.154 58.176 58.000 0.036 0.000 1.296 174 F CB 0.767 39.771 39.000 0.006 0.000 1.085 174 F HN 0.260 nan 8.300 nan 0.000 0.584 175 S N 2.168 117.439 115.700 -0.715 0.000 2.775 175 S HA 0.448 4.920 4.470 0.004 0.000 0.227 175 S C -0.169 174.247 174.600 -0.306 0.000 0.845 175 S CA -0.160 57.767 58.200 -0.455 0.000 1.407 175 S CB -0.634 62.480 63.200 -0.145 0.000 1.259 175 S HN 1.260 nan 8.310 nan 0.000 0.612 176 G N 0.554 109.089 108.800 -0.443 0.000 2.559 176 G HA2 0.718 4.680 3.960 0.004 0.000 0.291 176 G HA3 0.718 4.680 3.960 0.004 0.000 0.291 176 G C -2.074 172.828 174.900 0.003 0.000 1.424 176 G CA -0.696 44.324 45.100 -0.134 0.000 0.786 176 G HN 0.353 nan 8.290 nan 0.000 0.485 177 I N -0.292 120.361 120.570 0.137 0.000 2.827 177 I HA 0.443 4.615 4.170 0.004 0.000 0.298 177 I C -0.967 175.254 176.117 0.174 0.000 1.235 177 I CA -0.731 60.711 61.300 0.237 0.000 1.021 177 I CB 2.811 41.047 38.000 0.392 0.000 1.259 177 I HN 0.299 nan 8.210 nan 0.000 0.427 178 I N 3.320 123.957 120.570 0.111 0.000 2.389 178 I HA 0.259 4.431 4.170 0.004 0.000 0.288 178 I C -0.830 175.360 176.117 0.122 0.000 0.999 178 I CA -0.502 60.835 61.300 0.062 0.000 1.129 178 I CB 1.630 39.628 38.000 -0.003 0.000 1.288 178 I HN 0.456 nan 8.210 nan 0.000 0.444 179 D N 6.088 126.572 120.400 0.140 0.000 2.393 179 D HA 0.094 4.736 4.640 0.004 0.000 0.232 179 D C 0.995 177.355 176.300 0.100 0.000 1.192 179 D CA -0.311 53.797 54.000 0.180 0.000 0.882 179 D CB 1.490 42.440 40.800 0.249 0.000 1.038 179 D HN 0.409 nan 8.370 nan 0.000 0.499 180 V N 3.272 123.251 119.914 0.107 0.000 3.217 180 V HA -0.065 4.057 4.120 0.004 0.000 0.264 180 V C 1.648 177.807 176.094 0.109 0.000 1.135 180 V CA 0.602 62.968 62.300 0.111 0.000 1.142 180 V CB -0.408 31.523 31.823 0.181 0.000 0.754 180 V HN 0.466 nan 8.190 nan 0.000 0.484 181 L N 1.105 122.407 121.223 0.133 0.000 2.131 181 L HA 0.214 4.556 4.340 0.004 0.000 0.206 181 L C 2.425 179.321 176.870 0.043 0.000 1.087 181 L CA 1.751 56.690 54.840 0.165 0.000 0.767 181 L CB -1.004 41.181 42.059 0.211 0.000 0.917 181 L HN 0.268 nan 8.230 nan 0.000 0.441 182 R N -1.296 119.224 120.500 0.033 0.000 2.308 182 R HA 0.224 4.567 4.340 0.004 0.000 0.202 182 R C -0.018 176.233 176.300 -0.081 0.000 0.898 182 R CA -0.024 56.072 56.100 -0.006 0.000 1.046 182 R CB 0.248 30.587 30.300 0.064 0.000 1.026 182 R HN 0.182 nan 8.270 nan 0.000 0.512 183 M N 1.382 120.923 119.600 -0.098 0.000 2.450 183 M HA -0.195 4.288 4.480 0.004 0.000 0.192 183 M C -1.234 175.013 176.300 -0.088 0.000 0.753 183 M CA 1.336 56.574 55.300 -0.104 0.000 0.532 183 M CB -1.849 30.655 32.600 -0.159 0.000 1.263 183 M HN 0.076 nan 8.290 nan 0.000 0.885 184 K N -0.305 120.033 120.400 -0.104 0.000 2.435 184 K HA 0.927 5.249 4.320 0.004 0.000 0.251 184 K C -0.233 176.174 176.600 -0.322 0.000 0.954 184 K CA -0.483 55.669 56.287 -0.226 0.000 0.820 184 K CB 2.591 34.919 32.500 -0.285 0.000 1.292 184 K HN 0.345 nan 8.250 nan 0.000 0.436 185 A N 1.409 123.968 122.820 -0.436 0.000 2.386 185 A HA 0.812 5.134 4.320 0.004 0.000 0.308 185 A C -1.764 175.446 177.584 -0.622 0.000 1.128 185 A CA -0.608 51.203 52.037 -0.377 0.000 0.789 185 A CB 0.788 19.672 19.000 -0.193 0.000 1.325 185 A HN 0.620 nan 8.150 nan 0.000 0.437 186 Y N -0.614 119.608 120.300 -0.130 0.000 2.433 186 Y HA 0.602 5.155 4.550 0.004 0.000 0.337 186 Y C 0.375 176.018 175.900 -0.428 0.000 1.026 186 Y CA -0.392 57.550 58.100 -0.263 0.000 1.037 186 Y CB 2.547 40.852 38.460 -0.260 0.000 1.245 186 Y HN 0.696 nan 8.280 nan 0.000 0.443 187 T N 2.128 116.481 114.554 -0.336 0.000 2.885 187 T HA 0.652 5.005 4.350 0.004 0.000 0.285 187 T C -1.686 172.690 174.700 -0.540 0.000 1.019 187 T CA -0.511 61.377 62.100 -0.353 0.000 1.010 187 T CB 0.527 69.299 68.868 -0.161 0.000 1.022 187 T HN 0.411 nan 8.240 nan 0.000 0.466 188 Y N 1.866 122.135 120.300 -0.051 0.000 2.328 188 Y HA 0.505 5.058 4.550 0.005 0.000 0.336 188 Y C 1.271 177.154 175.900 -0.028 0.000 0.960 188 Y CA -0.882 57.200 58.100 -0.031 0.000 1.134 188 Y CB 1.945 40.367 38.460 -0.064 0.000 1.166 188 Y HN 0.824 nan 8.280 nan 0.000 0.464 189 G N 2.459 111.323 108.800 0.108 0.000 2.813 189 G HA2 0.009 3.971 3.960 0.004 0.000 0.209 189 G HA3 0.009 3.971 3.960 0.004 0.000 0.209 189 G C 0.126 175.069 174.900 0.072 0.000 1.150 189 G CA 0.085 45.226 45.100 0.069 0.000 0.785 189 G HN 0.737 nan 8.290 nan 0.000 0.535 190 N N -1.382 117.374 118.700 0.093 0.000 3.179 190 N HA 0.077 4.820 4.740 0.004 0.000 0.250 190 N C -1.434 174.114 175.510 0.064 0.000 1.507 190 N CA -0.651 52.439 53.050 0.067 0.000 0.883 190 N CB 0.656 39.178 38.487 0.059 0.000 1.435 190 N HN -0.249 nan 8.380 nan 0.000 0.532 191 D N 0.149 120.574 120.400 0.042 0.000 2.325 191 D HA 0.262 4.904 4.640 0.004 0.000 0.225 191 D C 1.113 177.426 176.300 0.021 0.000 1.096 191 D CA 0.181 54.197 54.000 0.027 0.000 0.844 191 D CB 0.160 40.973 40.800 0.020 0.000 0.925 191 D HN 0.389 nan 8.370 nan 0.000 0.513 192 L N -1.288 119.958 121.223 0.037 0.000 2.590 192 L HA 0.292 4.634 4.340 0.004 0.000 0.227 192 L C 1.472 178.379 176.870 0.062 0.000 1.099 192 L CA 0.201 55.056 54.840 0.027 0.000 0.872 192 L CB 0.187 42.263 42.059 0.027 0.000 1.088 192 L HN 0.068 nan 8.230 nan 0.000 0.479 193 G N 1.060 109.933 108.800 0.122 0.000 2.143 193 G HA2 -0.298 3.664 3.960 0.004 0.000 0.248 193 G HA3 -0.298 3.664 3.960 0.004 0.000 0.248 193 G C 0.694 175.736 174.900 0.236 0.000 0.991 193 G CA 0.624 45.861 45.100 0.228 0.000 0.689 193 G HN 0.391 nan 8.290 nan 0.000 0.522 194 T N -3.418 111.235 114.554 0.165 0.000 3.134 194 T HA 0.454 4.806 4.350 0.004 0.000 0.260 194 T C 0.075 174.850 174.700 0.125 0.000 1.027 194 T CA 0.554 62.736 62.100 0.137 0.000 0.913 194 T CB 0.933 69.858 68.868 0.096 0.000 1.046 194 T HN 0.255 nan 8.240 nan 0.000 0.553 195 D N 0.938 121.428 120.400 0.150 0.000 2.375 195 D HA 0.356 4.999 4.640 0.004 0.000 0.241 195 D C -1.517 174.859 176.300 0.126 0.000 1.361 195 D CA -0.436 53.633 54.000 0.115 0.000 0.995 195 D CB 1.202 42.053 40.800 0.085 0.000 1.312 195 D HN 0.408 nan 8.370 nan 0.000 0.576 196 I N 3.204 123.833 120.570 0.098 0.000 2.533 196 I HA 0.549 4.721 4.170 0.004 0.000 0.290 196 I C -1.414 174.705 176.117 0.003 0.000 1.056 196 I CA -0.678 60.635 61.300 0.022 0.000 1.057 196 I CB 1.219 39.277 38.000 0.097 0.000 1.240 196 I HN 0.278 nan 8.210 nan 0.000 0.423 197 R N 5.570 126.038 120.500 -0.055 0.000 2.604 197 R HA 0.465 4.807 4.340 0.004 0.000 0.281 197 R C -1.177 175.113 176.300 -0.018 0.000 1.020 197 R CA -0.941 55.153 56.100 -0.011 0.000 0.899 197 R CB 1.918 32.205 30.300 -0.021 0.000 1.205 197 R HN 0.547 nan 8.270 nan 0.000 0.450 198 E N 3.138 123.344 120.200 0.010 0.000 2.392 198 E HA 0.247 4.599 4.350 0.004 0.000 0.264 198 E C 0.071 176.597 176.600 -0.123 0.000 1.024 198 E CA 0.054 56.392 56.400 -0.103 0.000 0.903 198 E CB 0.930 30.580 29.700 -0.084 0.000 0.963 198 E HN 0.467 nan 8.360 nan 0.000 0.432 199 I N -0.741 119.720 120.570 -0.182 0.000 3.191 199 I HA 0.568 4.740 4.170 0.004 0.000 0.313 199 I C -2.708 173.332 176.117 -0.128 0.000 1.193 199 I CA -2.778 58.450 61.300 -0.120 0.000 0.968 199 I CB 2.189 40.132 38.000 -0.095 0.000 1.262 199 I HN 0.239 nan 8.210 nan 0.000 0.456 200 P HA 0.326 nan 4.420 nan 0.000 0.275 200 P C -0.329 176.944 177.300 -0.045 0.000 1.227 200 P CA -0.060 63.005 63.100 -0.058 0.000 0.781 200 P CB 1.069 32.752 31.700 -0.028 0.000 0.906 201 I N 4.014 124.563 120.570 -0.034 0.000 2.742 201 I HA -0.030 4.142 4.170 0.004 0.000 0.287 201 I C -1.749 174.402 176.117 0.057 0.000 1.186 201 I CA -1.281 60.020 61.300 0.002 0.000 1.417 201 I CB -0.509 37.509 38.000 0.029 0.000 1.377 201 I HN 0.161 nan 8.210 nan 0.000 0.556 202 P HA -0.012 nan 4.420 nan 0.000 0.266 202 P C 0.287 177.692 177.300 0.175 0.000 1.195 202 P CA 0.059 63.254 63.100 0.158 0.000 0.768 202 P CB 0.596 32.463 31.700 0.279 0.000 0.838 203 E N 2.183 122.444 120.200 0.102 0.000 2.130 203 E HA -0.235 4.117 4.350 0.004 0.000 0.196 203 E C 1.472 178.099 176.600 0.045 0.000 0.998 203 E CA 1.365 57.804 56.400 0.066 0.000 0.806 203 E CB -0.416 29.306 29.700 0.037 0.000 0.738 203 E HN 0.577 nan 8.360 nan 0.000 0.459 204 E N -0.609 119.601 120.200 0.017 0.000 2.526 204 E HA -0.161 4.192 4.350 0.004 0.000 0.198 204 E C 0.407 176.814 176.600 -0.322 0.000 1.091 204 E CA 0.719 57.026 56.400 -0.154 0.000 0.880 204 E CB -0.142 29.414 29.700 -0.240 0.000 0.873 204 E HN 0.479 nan 8.360 nan 0.000 0.527 205 Y N -0.510 119.822 120.300 0.054 0.000 2.476 205 Y HA 0.281 4.833 4.550 0.003 0.000 0.261 205 Y C 1.894 177.840 175.900 0.078 0.000 1.077 205 Y CA -0.476 57.668 58.100 0.074 0.000 1.240 205 Y CB 0.361 38.866 38.460 0.075 0.000 1.317 205 Y HN -0.073 nan 8.280 nan 0.000 0.540 206 L N 0.420 121.755 121.223 0.185 0.000 2.189 206 L HA -0.269 4.073 4.340 0.004 0.000 0.214 206 L C 1.214 178.158 176.870 0.124 0.000 1.097 206 L CA 1.724 56.644 54.840 0.133 0.000 0.764 206 L CB -0.015 42.097 42.059 0.088 0.000 0.900 206 L HN 0.353 nan 8.230 nan 0.000 0.436 207 D N -1.687 118.780 120.400 0.111 0.000 2.262 207 D HA -0.158 4.484 4.640 0.004 0.000 0.212 207 D C 1.875 178.255 176.300 0.134 0.000 0.964 207 D CA 0.509 54.567 54.000 0.096 0.000 0.875 207 D CB 0.117 40.950 40.800 0.054 0.000 0.996 207 D HN 0.407 nan 8.370 nan 0.000 0.497 208 Q N 1.058 120.968 119.800 0.183 0.000 2.124 208 Q HA -0.124 4.218 4.340 0.004 0.000 0.202 208 Q C 2.079 178.313 176.000 0.390 0.000 0.977 208 Q CA 1.427 57.404 55.803 0.289 0.000 0.850 208 Q CB 0.058 28.990 28.738 0.323 0.000 0.901 208 Q HN 0.149 nan 8.270 nan 0.000 0.429 209 A N 0.848 123.851 122.820 0.306 0.000 1.858 209 A HA -0.191 4.132 4.320 0.004 0.000 0.216 209 A C 2.048 179.785 177.584 0.254 0.000 1.190 209 A CA 1.546 53.749 52.037 0.277 0.000 0.617 209 A CB -0.503 18.617 19.000 0.200 0.000 0.827 209 A HN 0.337 nan 8.150 nan 0.000 0.443 210 R N -0.611 120.004 120.500 0.191 0.000 2.120 210 R HA -0.131 4.211 4.340 0.004 0.000 0.234 210 R C 2.253 178.640 176.300 0.145 0.000 1.123 210 R CA 1.466 57.670 56.100 0.173 0.000 0.975 210 R CB -0.201 30.172 30.300 0.122 0.000 0.866 210 R HN 0.789 nan 8.270 nan 0.000 0.446 211 E N -0.402 119.860 120.200 0.103 0.000 2.028 211 E HA -0.194 4.158 4.350 0.004 0.000 0.191 211 E C 1.320 177.832 176.600 -0.148 0.000 0.988 211 E CA 1.201 57.567 56.400 -0.057 0.000 0.799 211 E CB -0.018 29.596 29.700 -0.143 0.000 0.755 211 E HN 0.377 nan 8.360 nan 0.000 0.447 212 Y N -0.632 119.745 120.300 0.128 0.000 2.421 212 Y HA -0.163 4.389 4.550 0.003 0.000 0.292 212 Y C 2.334 178.316 175.900 0.136 0.000 1.136 212 Y CA 1.398 59.576 58.100 0.129 0.000 1.255 212 Y CB -0.329 38.226 38.460 0.160 0.000 0.991 212 Y HN 0.307 nan 8.280 nan 0.000 0.552 213 H N 0.509 119.670 119.070 0.153 0.000 2.353 213 H HA -0.155 4.403 4.556 0.004 0.000 0.300 213 H C 2.110 177.464 175.328 0.044 0.000 1.090 213 H CA 2.081 58.188 56.048 0.099 0.000 1.327 213 H CB -0.096 29.721 29.762 0.092 0.000 1.383 213 H HN 0.455 nan 8.280 nan 0.000 0.508 214 E N 0.311 120.447 120.200 -0.106 0.000 2.072 214 E HA -0.144 4.209 4.350 0.004 0.000 0.191 214 E C 1.976 178.467 176.600 -0.182 0.000 0.985 214 E CA 0.775 57.068 56.400 -0.178 0.000 0.801 214 E CB 0.111 29.793 29.700 -0.029 0.000 0.750 214 E HN 0.451 nan 8.360 nan 0.000 0.452 215 K N 0.583 120.915 120.400 -0.114 0.000 2.063 215 K HA -0.179 4.143 4.320 0.004 0.000 0.208 215 K C 2.394 178.942 176.600 -0.087 0.000 1.048 215 K CA 1.199 57.427 56.287 -0.097 0.000 0.928 215 K CB -0.310 32.146 32.500 -0.073 0.000 0.713 215 K HN 0.241 nan 8.250 nan 0.000 0.442 216 L N 1.178 122.380 121.223 -0.035 0.000 1.994 216 L HA -0.195 4.147 4.340 0.004 0.000 0.208 216 L C 2.243 179.049 176.870 -0.108 0.000 1.071 216 L CA 1.114 55.945 54.840 -0.015 0.000 0.745 216 L CB -0.207 41.901 42.059 0.081 0.000 0.892 216 L HN -0.088 nan 8.230 nan 0.000 0.431 217 V N -0.003 119.770 119.914 -0.235 0.000 2.324 217 V HA -0.352 3.771 4.120 0.004 0.000 0.250 217 V C 2.455 178.272 176.094 -0.461 0.000 1.060 217 V CA 2.239 64.341 62.300 -0.330 0.000 1.042 217 V CB -0.694 30.846 31.823 -0.471 0.000 0.650 217 V HN 0.531 nan 8.190 nan 0.000 0.450 218 E N -0.200 119.641 120.200 -0.599 0.000 2.070 218 E HA -0.217 4.135 4.350 0.004 0.000 0.197 218 E C 2.211 178.647 176.600 -0.272 0.000 1.004 218 E CA 1.884 57.925 56.400 -0.598 0.000 0.805 218 E CB -0.105 29.381 29.700 -0.355 0.000 0.744 218 E HN 0.462 nan 8.360 nan 0.000 0.451 219 V N 0.874 120.699 119.914 -0.149 0.000 2.307 219 V HA -0.267 3.856 4.120 0.004 0.000 0.245 219 V C 2.347 178.464 176.094 0.040 0.000 1.045 219 V CA 1.755 64.033 62.300 -0.036 0.000 1.024 219 V CB -0.786 31.067 31.823 0.050 0.000 0.651 219 V HN 0.396 nan 8.190 nan 0.000 0.449 220 A N 0.224 123.076 122.820 0.052 0.000 1.948 220 A HA -0.211 4.111 4.320 0.004 0.000 0.220 220 A C 2.411 180.052 177.584 0.095 0.000 1.177 220 A CA 2.228 54.353 52.037 0.146 0.000 0.636 220 A CB -0.847 18.195 19.000 0.070 0.000 0.815 220 A HN 0.625 nan 8.150 nan 0.000 0.449 221 A N -0.277 122.514 122.820 -0.048 0.000 2.024 221 A HA -0.198 4.124 4.320 0.004 0.000 0.220 221 A C 1.616 179.139 177.584 -0.103 0.000 1.164 221 A CA 1.812 53.813 52.037 -0.060 0.000 0.643 221 A CB -0.512 18.430 19.000 -0.096 0.000 0.806 221 A HN 0.484 nan 8.150 nan 0.000 0.451 222 D N -1.486 118.764 120.400 -0.249 0.000 2.348 222 D HA -0.014 4.628 4.640 0.004 0.000 0.216 222 D C 0.586 176.517 176.300 -0.614 0.000 0.970 222 D CA 0.866 54.567 54.000 -0.498 0.000 0.889 222 D CB -0.114 40.205 40.800 -0.803 0.000 0.912 222 D HN 0.565 nan 8.370 nan 0.000 0.524 223 F N -0.237 119.716 119.950 0.005 0.000 2.706 223 F HA 0.232 4.761 4.527 0.004 0.000 0.308 223 F C 0.196 176.008 175.800 0.020 0.000 1.095 223 F CA -0.529 57.479 58.000 0.014 0.000 1.244 223 F CB 0.847 39.857 39.000 0.016 0.000 1.063 223 F HN -0.308 nan 8.300 nan 0.000 0.582 224 D N -0.108 120.375 120.400 0.139 0.000 2.616 224 D HA 0.102 4.744 4.640 0.004 0.000 0.238 224 D C 0.796 177.133 176.300 0.061 0.000 1.354 224 D CA -0.174 53.887 54.000 0.102 0.000 0.970 224 D CB 1.172 42.037 40.800 0.108 0.000 1.369 224 D HN 0.189 nan 8.370 nan 0.000 0.585 225 E N 3.102 123.331 120.200 0.049 0.000 2.086 225 E HA -0.325 4.028 4.350 0.004 0.000 0.200 225 E C 0.709 177.335 176.600 0.044 0.000 1.012 225 E CA 1.956 58.378 56.400 0.037 0.000 0.812 225 E CB -0.088 29.631 29.700 0.032 0.000 0.743 225 E HN 0.474 nan 8.360 nan 0.000 0.453 226 N N -0.007 118.722 118.700 0.049 0.000 2.192 226 N HA -0.139 4.603 4.740 0.004 0.000 0.188 226 N C 1.670 177.215 175.510 0.059 0.000 1.013 226 N CA 1.845 54.925 53.050 0.050 0.000 0.863 226 N CB -0.106 38.411 38.487 0.050 0.000 0.990 226 N HN 0.340 nan 8.380 nan 0.000 0.430 227 I N -0.447 120.160 120.570 0.062 0.000 2.617 227 I HA -0.139 4.034 4.170 0.004 0.000 0.256 227 I C 2.128 178.297 176.117 0.087 0.000 1.167 227 I CA 0.562 61.901 61.300 0.065 0.000 1.469 227 I CB -0.156 37.875 38.000 0.051 0.000 1.098 227 I HN 0.238 nan 8.210 nan 0.000 0.436 228 M N 0.786 120.435 119.600 0.081 0.000 2.077 228 M HA -0.209 4.273 4.480 0.004 0.000 0.261 228 M C 2.211 178.587 176.300 0.127 0.000 1.070 228 M CA 1.934 57.309 55.300 0.125 0.000 1.125 228 M CB 0.027 32.673 32.600 0.076 0.000 1.339 228 M HN 0.090 nan 8.290 nan 0.000 0.409 229 L N 0.769 122.037 121.223 0.075 0.000 2.021 229 L HA -0.275 4.067 4.340 0.004 0.000 0.215 229 L C 2.211 179.117 176.870 0.060 0.000 1.074 229 L CA 1.990 56.861 54.840 0.052 0.000 0.760 229 L CB -1.089 40.993 42.059 0.039 0.000 0.889 229 L HN 0.289 nan 8.230 nan 0.000 0.433 230 K N -2.156 118.293 120.400 0.081 0.000 2.103 230 K HA -0.197 4.125 4.320 0.004 0.000 0.204 230 K C 2.189 178.865 176.600 0.126 0.000 1.052 230 K CA 1.146 57.483 56.287 0.084 0.000 0.945 230 K CB -0.449 32.101 32.500 0.084 0.000 0.722 230 K HN 0.173 nan 8.250 nan 0.000 0.443 231 Y N 2.314 122.611 120.300 -0.005 0.000 2.145 231 Y HA -0.183 4.370 4.550 0.004 0.000 0.286 231 Y C 1.746 177.636 175.900 -0.017 0.000 1.145 231 Y CA 1.237 59.327 58.100 -0.018 0.000 1.148 231 Y CB -0.512 37.933 38.460 -0.026 0.000 0.981 231 Y HN -0.094 nan 8.280 nan 0.000 0.507 232 L N 0.010 121.189 121.223 -0.073 0.000 2.042 232 L HA -0.228 4.114 4.340 0.004 0.000 0.210 232 L C 2.212 179.003 176.870 -0.131 0.000 1.076 232 L CA 1.922 56.647 54.840 -0.191 0.000 0.749 232 L CB -0.643 41.365 42.059 -0.084 0.000 0.893 232 L HN 0.211 nan 8.230 nan 0.000 0.432 233 E N -0.130 120.041 120.200 -0.048 0.000 2.516 233 E HA -0.057 4.296 4.350 0.004 0.000 0.199 233 E C 1.379 177.964 176.600 -0.025 0.000 1.069 233 E CA 0.484 56.866 56.400 -0.029 0.000 0.876 233 E CB -0.021 29.679 29.700 0.000 0.000 0.843 233 E HN 0.617 nan 8.360 nan 0.000 0.530 234 G N 2.147 110.927 108.800 -0.034 0.000 2.148 234 G HA2 -0.336 3.627 3.960 0.004 0.000 0.254 234 G HA3 -0.336 3.627 3.960 0.004 0.000 0.254 234 G C 0.022 174.944 174.900 0.037 0.000 0.981 234 G CA 0.458 45.553 45.100 -0.008 0.000 0.670 234 G HN 0.344 nan 8.290 nan 0.000 0.528 235 E N 0.059 120.290 120.200 0.051 0.000 2.343 235 E HA 0.508 4.860 4.350 0.004 0.000 0.269 235 E C 0.093 176.747 176.600 0.089 0.000 1.047 235 E CA -0.552 55.885 56.400 0.062 0.000 0.874 235 E CB 0.515 30.248 29.700 0.055 0.000 1.033 235 E HN 0.225 nan 8.360 nan 0.000 0.409 236 E N 4.674 124.929 120.200 0.090 0.000 2.167 236 E HA 0.219 4.572 4.350 0.004 0.000 0.284 236 E C -2.257 174.405 176.600 0.104 0.000 1.016 236 E CA -2.105 54.364 56.400 0.114 0.000 0.817 236 E CB 0.710 30.487 29.700 0.129 0.000 1.080 236 E HN 0.206 nan 8.360 nan 0.000 0.397 237 P HA 0.101 nan 4.420 nan 0.000 0.274 237 P C -0.604 176.757 177.300 0.102 0.000 1.256 237 P CA -0.496 62.659 63.100 0.092 0.000 0.795 237 P CB 0.443 32.191 31.700 0.081 0.000 1.038 238 T N -2.804 111.802 114.554 0.086 0.000 2.907 238 T HA 0.122 4.474 4.350 0.004 0.000 0.298 238 T C 1.302 176.058 174.700 0.093 0.000 1.017 238 T CA -0.412 61.737 62.100 0.081 0.000 1.118 238 T CB 0.513 69.421 68.868 0.066 0.000 0.948 238 T HN 0.565 nan 8.240 nan 0.000 0.531 239 E N 1.353 121.609 120.200 0.092 0.000 2.209 239 E HA -0.250 4.102 4.350 0.004 0.000 0.196 239 E C 1.297 177.956 176.600 0.098 0.000 0.993 239 E CA 1.272 57.735 56.400 0.104 0.000 0.819 239 E CB -0.236 29.520 29.700 0.093 0.000 0.745 239 E HN 0.767 nan 8.360 nan 0.000 0.477 240 E N 1.278 121.525 120.200 0.078 0.000 2.072 240 E HA -0.150 4.202 4.350 0.004 0.000 0.191 240 E C 1.881 178.528 176.600 0.078 0.000 0.985 240 E CA 1.388 57.829 56.400 0.068 0.000 0.801 240 E CB -0.093 29.639 29.700 0.053 0.000 0.750 240 E HN 0.426 nan 8.360 nan 0.000 0.452 241 E N -0.166 120.082 120.200 0.081 0.000 2.031 241 E HA -0.181 4.171 4.350 0.004 0.000 0.193 241 E C 1.741 178.402 176.600 0.102 0.000 0.994 241 E CA 0.684 57.134 56.400 0.084 0.000 0.800 241 E CB 0.015 29.763 29.700 0.079 0.000 0.752 241 E HN 0.076 nan 8.360 nan 0.000 0.447 242 L N 0.422 121.714 121.223 0.116 0.000 1.976 242 L HA -0.182 4.160 4.340 0.004 0.000 0.209 242 L C 2.491 179.461 176.870 0.166 0.000 1.071 242 L CA 1.274 56.194 54.840 0.133 0.000 0.746 242 L CB -1.320 40.830 42.059 0.152 0.000 0.890 242 L HN 0.087 nan 8.230 nan 0.000 0.432 243 V N 0.228 120.259 119.914 0.196 0.000 2.278 243 V HA -0.372 3.750 4.120 0.004 0.000 0.251 243 V C 2.792 179.038 176.094 0.253 0.000 1.062 243 V CA 1.912 64.383 62.300 0.283 0.000 1.038 243 V CB -1.306 30.606 31.823 0.149 0.000 0.646 243 V HN 0.531 nan 8.190 nan 0.000 0.447 244 A N -0.167 122.738 122.820 0.142 0.000 1.883 244 A HA -0.147 4.175 4.320 0.004 0.000 0.217 244 A C 2.450 180.088 177.584 0.090 0.000 1.186 244 A CA 2.413 54.511 52.037 0.101 0.000 0.624 244 A CB -0.934 18.110 19.000 0.074 0.000 0.822 244 A HN 0.628 nan 8.150 nan 0.000 0.444 245 A N -0.032 122.848 122.820 0.100 0.000 1.883 245 A HA -0.096 4.227 4.320 0.004 0.000 0.217 245 A C 2.035 179.611 177.584 -0.013 0.000 1.186 245 A CA 1.733 53.828 52.037 0.096 0.000 0.624 245 A CB -0.534 18.561 19.000 0.157 0.000 0.822 245 A HN 0.428 nan 8.150 nan 0.000 0.444 246 I N -0.393 120.192 120.570 0.026 0.000 2.252 246 I HA -0.192 3.980 4.170 0.004 0.000 0.245 246 I C 2.540 178.583 176.117 -0.122 0.000 1.102 246 I CA 1.746 62.980 61.300 -0.110 0.000 1.385 246 I CB -1.269 36.618 38.000 -0.188 0.000 1.064 246 I HN 0.475 nan 8.210 nan 0.000 0.414 247 R N 1.576 122.164 120.500 0.146 0.000 2.083 247 R HA -0.244 4.098 4.340 0.004 0.000 0.237 247 R C 2.357 178.646 176.300 -0.018 0.000 1.137 247 R CA 2.090 58.318 56.100 0.213 0.000 0.951 247 R CB -0.175 30.247 30.300 0.203 0.000 0.851 247 R HN 0.269 nan 8.270 nan 0.000 0.434 248 K N -0.590 119.751 120.400 -0.098 0.000 2.002 248 K HA -0.104 4.219 4.320 0.004 0.000 0.209 248 K C 2.020 178.379 176.600 -0.402 0.000 1.048 248 K CA 1.799 57.979 56.287 -0.178 0.000 0.930 248 K CB -0.530 31.898 32.500 -0.120 0.000 0.714 248 K HN 0.328 nan 8.250 nan 0.000 0.438 249 G N 0.063 108.333 108.800 -0.883 0.000 2.446 249 G HA2 -0.269 3.694 3.960 0.004 0.000 0.217 249 G HA3 -0.269 3.694 3.960 0.004 0.000 0.217 249 G C 1.426 176.049 174.900 -0.461 0.000 1.168 249 G CA 1.549 45.856 45.100 -1.322 0.000 0.771 249 G HN 0.405 nan 8.290 nan 0.000 0.551 250 T N 1.305 115.686 114.554 -0.288 0.000 2.720 250 T HA -0.072 4.281 4.350 0.004 0.000 0.268 250 T C 2.383 177.044 174.700 -0.064 0.000 1.037 250 T CA 1.140 63.173 62.100 -0.112 0.000 1.144 250 T CB -0.163 68.677 68.868 -0.046 0.000 0.864 250 T HN 0.259 nan 8.240 nan 0.000 0.444 251 I N 1.067 121.597 120.570 -0.068 0.000 2.394 251 I HA -0.116 4.057 4.170 0.004 0.000 0.251 251 I C 1.983 178.075 176.117 -0.042 0.000 1.136 251 I CA 1.012 62.287 61.300 -0.041 0.000 1.425 251 I CB -0.235 37.746 38.000 -0.031 0.000 1.079 251 I HN 0.070 nan 8.210 nan 0.000 0.425 252 D N 0.605 120.965 120.400 -0.066 0.000 2.371 252 D HA 0.030 4.672 4.640 0.004 0.000 0.221 252 D C 1.360 177.663 176.300 0.006 0.000 0.986 252 D CA 0.537 54.522 54.000 -0.025 0.000 0.899 252 D CB 0.243 41.034 40.800 -0.015 0.000 0.902 252 D HN 0.210 nan 8.370 nan 0.000 0.530 253 L N -1.014 120.206 121.223 -0.004 0.000 4.351 253 L HA -0.275 4.067 4.340 0.004 0.000 0.410 253 L C 1.554 178.469 176.870 0.075 0.000 1.150 253 L CA 0.338 55.194 54.840 0.027 0.000 0.961 253 L CB -0.852 41.220 42.059 0.021 0.000 2.130 253 L HN 0.033 nan 8.230 nan 0.000 0.787 254 K N 0.499 120.948 120.400 0.082 0.000 2.067 254 K HA 0.260 4.582 4.320 0.004 0.000 0.203 254 K C 0.995 177.698 176.600 0.172 0.000 1.048 254 K CA 1.584 57.975 56.287 0.173 0.000 0.954 254 K CB 0.301 33.016 32.500 0.358 0.000 0.737 254 K HN 0.658 nan 8.250 nan 0.000 0.444 255 I N -2.031 118.608 120.570 0.114 0.000 3.237 255 I HA 0.398 4.571 4.170 0.004 0.000 0.308 255 I C -0.718 175.456 176.117 0.095 0.000 1.093 255 I CA -0.877 60.487 61.300 0.107 0.000 1.001 255 I CB 2.276 40.333 38.000 0.093 0.000 1.245 255 I HN -0.296 nan 8.210 nan 0.000 0.485 256 T N 1.987 116.600 114.554 0.097 0.000 3.160 256 T HA 0.367 4.719 4.350 0.004 0.000 0.346 256 T C -2.630 172.110 174.700 0.067 0.000 1.027 256 T CA -0.727 61.460 62.100 0.147 0.000 1.287 256 T CB 0.866 69.912 68.868 0.296 0.000 0.997 256 T HN 0.397 nan 8.240 nan 0.000 0.518 257 P HA 0.131 nan 4.420 nan 0.000 0.264 257 P C -0.694 176.529 177.300 -0.128 0.000 1.179 257 P CA -0.109 62.907 63.100 -0.139 0.000 0.763 257 P CB 0.584 32.225 31.700 -0.098 0.000 0.806 258 V N 4.540 124.220 119.914 -0.391 0.000 2.604 258 V HA 0.521 4.643 4.120 0.004 0.000 0.305 258 V C -0.227 175.465 176.094 -0.670 0.000 1.043 258 V CA -0.225 61.905 62.300 -0.285 0.000 0.888 258 V CB 1.168 32.874 31.823 -0.194 0.000 0.995 258 V HN 0.375 nan 8.190 nan 0.000 0.429 259 F N 4.396 124.388 119.950 0.070 0.000 2.631 259 F HA 0.828 5.357 4.527 0.004 0.000 0.328 259 F C -0.206 175.590 175.800 -0.006 0.000 1.067 259 F CA -0.891 57.161 58.000 0.087 0.000 0.969 259 F CB 1.942 41.066 39.000 0.207 0.000 1.332 259 F HN 0.340 nan 8.300 nan 0.000 0.490 260 L N -0.476 120.816 121.223 0.115 0.000 2.491 260 L HA 1.075 5.418 4.340 0.004 0.000 0.254 260 L C -0.673 176.121 176.870 -0.126 0.000 1.048 260 L CA -0.554 54.143 54.840 -0.238 0.000 0.855 260 L CB 1.452 43.317 42.059 -0.324 0.000 1.466 260 L HN 0.830 nan 8.230 nan 0.000 0.409 261 G N 0.021 108.573 108.800 -0.414 0.000 2.360 261 G HA2 0.401 4.363 3.960 0.004 0.000 0.276 261 G HA3 0.401 4.363 3.960 0.004 0.000 0.276 261 G C -1.670 173.127 174.900 -0.172 0.000 1.256 261 G CA 0.226 45.289 45.100 -0.061 0.000 0.890 261 G HN 1.017 nan 8.290 nan 0.000 0.486 262 S N -0.686 115.066 115.700 0.087 0.000 2.721 262 S HA 0.605 5.077 4.470 0.004 0.000 0.264 262 S C 1.046 175.709 174.600 0.104 0.000 1.161 262 S CA 0.868 59.103 58.200 0.059 0.000 1.113 262 S CB 0.768 64.036 63.200 0.114 0.000 1.079 262 S HN 1.914 nan 8.310 nan 0.000 0.479 263 A N 4.224 127.142 122.820 0.162 0.000 1.851 263 A HA -0.053 4.270 4.320 0.004 0.000 0.216 263 A C 1.949 179.555 177.584 0.037 0.000 1.195 263 A CA 1.866 53.964 52.037 0.102 0.000 0.622 263 A CB -0.988 18.082 19.000 0.116 0.000 0.831 263 A HN 1.019 nan 8.150 nan 0.000 0.444 264 L N -1.013 120.230 121.223 0.033 0.000 2.263 264 L HA -0.146 4.196 4.340 0.004 0.000 0.216 264 L C 1.486 178.359 176.870 0.005 0.000 1.111 264 L CA 1.968 56.815 54.840 0.012 0.000 0.773 264 L CB -0.115 41.952 42.059 0.013 0.000 0.906 264 L HN 0.209 nan 8.230 nan 0.000 0.439 265 K N -0.494 119.913 120.400 0.012 0.000 2.358 265 K HA 0.203 4.525 4.320 0.004 0.000 0.200 265 K C 0.029 176.611 176.600 -0.030 0.000 1.030 265 K CA -0.019 56.270 56.287 0.003 0.000 1.097 265 K CB 0.126 32.644 32.500 0.030 0.000 0.862 265 K HN 0.324 nan 8.250 nan 0.000 0.534 266 N N 1.783 120.460 118.700 -0.038 0.000 2.746 266 N HA -0.159 4.583 4.740 0.004 0.000 0.250 266 N C -1.031 174.308 175.510 -0.285 0.000 1.055 266 N CA 0.802 53.818 53.050 -0.057 0.000 0.699 266 N CB -0.987 37.545 38.487 0.074 0.000 0.919 266 N HN 0.234 nan 8.380 nan 0.000 0.548 267 K N -0.160 120.015 120.400 -0.375 0.000 2.579 267 K HA 0.505 4.827 4.320 0.004 0.000 0.250 267 K C 0.900 177.288 176.600 -0.354 0.000 0.952 267 K CA 0.294 56.086 56.287 -0.825 0.000 0.857 267 K CB 1.439 33.658 32.500 -0.467 0.000 1.123 267 K HN 0.263 nan 8.250 nan 0.000 0.433 268 G N 0.812 109.393 108.800 -0.365 0.000 2.194 268 G HA2 -0.276 3.686 3.960 0.004 0.000 0.236 268 G HA3 -0.276 3.686 3.960 0.004 0.000 0.236 268 G C 0.805 175.618 174.900 -0.145 0.000 0.987 268 G CA 0.278 45.361 45.100 -0.027 0.000 0.635 268 G HN 0.381 nan 8.290 nan 0.000 0.520 269 V N 0.650 120.349 119.914 -0.360 0.000 2.295 269 V HA -0.234 3.888 4.120 0.004 0.000 0.246 269 V C 2.838 178.557 176.094 -0.626 0.000 1.049 269 V CA 2.967 64.924 62.300 -0.572 0.000 1.024 269 V CB -0.730 30.619 31.823 -0.790 0.000 0.648 269 V HN 0.517 nan 8.190 nan 0.000 0.447 270 Q N 0.253 119.707 119.800 -0.577 0.000 2.061 270 Q HA -0.154 4.189 4.340 0.004 0.000 0.204 270 Q C 2.169 177.958 176.000 -0.352 0.000 0.984 270 Q CA 1.743 57.271 55.803 -0.458 0.000 0.846 270 Q CB -0.580 28.110 28.738 -0.079 0.000 0.902 270 Q HN 0.550 nan 8.270 nan 0.000 0.421 271 L N -0.087 120.987 121.223 -0.247 0.000 2.079 271 L HA -0.194 4.148 4.340 0.004 0.000 0.210 271 L C 2.298 178.988 176.870 -0.299 0.000 1.081 271 L CA 0.902 55.637 54.840 -0.176 0.000 0.752 271 L CB -0.494 41.530 42.059 -0.058 0.000 0.896 271 L HN 0.297 nan 8.230 nan 0.000 0.433 272 L N -0.329 120.667 121.223 -0.378 0.000 2.046 272 L HA -0.233 4.109 4.340 0.004 0.000 0.208 272 L C 2.519 179.037 176.870 -0.587 0.000 1.077 272 L CA 1.448 55.970 54.840 -0.530 0.000 0.747 272 L CB -0.081 41.605 42.059 -0.621 0.000 0.896 272 L HN 0.287 nan 8.230 nan 0.000 0.432 273 L N -0.624 120.191 121.223 -0.680 0.000 2.056 273 L HA -0.254 4.089 4.340 0.004 0.000 0.207 273 L C 2.268 178.792 176.870 -0.576 0.000 1.078 273 L CA 1.264 55.586 54.840 -0.862 0.000 0.749 273 L CB -0.627 40.410 42.059 -1.703 0.000 0.901 273 L HN 0.294 nan 8.230 nan 0.000 0.433 274 D N 0.192 120.401 120.400 -0.318 0.000 2.149 274 D HA -0.192 4.450 4.640 0.004 0.000 0.198 274 D C 2.171 178.326 176.300 -0.242 0.000 0.990 274 D CA 1.534 55.497 54.000 -0.063 0.000 0.839 274 D CB 0.063 40.871 40.800 0.012 0.000 0.948 274 D HN 0.378 nan 8.370 nan 0.000 0.460 275 A N 0.882 123.470 122.820 -0.386 0.000 1.898 275 A HA -0.106 4.217 4.320 0.004 0.000 0.216 275 A C 2.580 179.961 177.584 -0.340 0.000 1.181 275 A CA 0.881 52.648 52.037 -0.451 0.000 0.620 275 A CB -0.702 17.698 19.000 -0.999 0.000 0.819 275 A HN 0.123 nan 8.150 nan 0.000 0.442 276 V N 0.071 119.785 119.914 -0.333 0.000 2.332 276 V HA -0.255 3.868 4.120 0.004 0.000 0.248 276 V C 2.712 178.666 176.094 -0.233 0.000 1.055 276 V CA 2.140 64.294 62.300 -0.244 0.000 1.038 276 V CB -0.744 30.926 31.823 -0.256 0.000 0.651 276 V HN 0.603 nan 8.190 nan 0.000 0.450 277 V N -1.002 118.749 119.914 -0.272 0.000 2.488 277 V HA -0.146 3.977 4.120 0.004 0.000 0.246 277 V C 2.073 177.942 176.094 -0.374 0.000 1.046 277 V CA 2.185 64.262 62.300 -0.373 0.000 1.053 277 V CB -0.577 30.901 31.823 -0.576 0.000 0.679 277 V HN 0.478 nan 8.190 nan 0.000 0.458 278 D N -0.300 119.840 120.400 -0.433 0.000 2.117 278 D HA -0.109 4.534 4.640 0.004 0.000 0.198 278 D C 1.852 177.747 176.300 -0.675 0.000 0.982 278 D CA 2.261 55.880 54.000 -0.634 0.000 0.828 278 D CB -0.105 40.078 40.800 -1.029 0.000 0.967 278 D HN 0.707 nan 8.370 nan 0.000 0.464 279 Y N -0.310 119.957 120.300 -0.055 0.000 2.526 279 Y HA 0.310 4.862 4.550 0.004 0.000 0.265 279 Y C 1.116 176.989 175.900 -0.046 0.000 1.092 279 Y CA -0.437 57.646 58.100 -0.028 0.000 1.277 279 Y CB -0.002 38.477 38.460 0.031 0.000 1.228 279 Y HN -0.207 nan 8.280 nan 0.000 0.507 280 L N 3.778 125.014 121.223 0.023 0.000 2.473 280 L HA 0.156 4.498 4.340 0.004 0.000 0.268 280 L C -1.994 174.861 176.870 -0.026 0.000 1.215 280 L CA -1.699 53.136 54.840 -0.007 0.000 0.823 280 L CB 0.336 42.365 42.059 -0.049 0.000 1.099 280 L HN -0.085 nan 8.230 nan 0.000 0.483 281 P HA 0.159 nan 4.420 nan 0.000 0.278 281 P C -1.084 176.196 177.300 -0.034 0.000 1.258 281 P CA -0.513 62.571 63.100 -0.026 0.000 0.811 281 P CB 1.596 33.282 31.700 -0.023 0.000 1.063 282 S N -0.099 115.585 115.700 -0.028 0.000 2.745 282 S HA 0.481 4.953 4.470 0.004 0.000 0.292 282 S C -1.975 172.606 174.600 -0.030 0.000 1.133 282 S CA -1.568 56.614 58.200 -0.030 0.000 0.998 282 S CB 0.721 63.904 63.200 -0.027 0.000 1.087 282 S HN 0.166 nan 8.310 nan 0.000 0.551 283 P HA 0.090 nan 4.420 nan 0.000 0.228 283 P C 1.031 178.324 177.300 -0.012 0.000 1.151 283 P CA 0.728 63.816 63.100 -0.020 0.000 0.770 283 P CB -0.019 31.668 31.700 -0.021 0.000 0.786 284 L N -1.059 120.150 121.223 -0.023 0.000 2.270 284 L HA -0.054 4.289 4.340 0.004 0.000 0.210 284 L C 1.731 178.585 176.870 -0.026 0.000 1.104 284 L CA 1.053 55.878 54.840 -0.024 0.000 0.804 284 L CB -0.537 41.506 42.059 -0.028 0.000 0.937 284 L HN -0.017 nan 8.230 nan 0.000 0.450 285 D N 0.742 121.128 120.400 -0.022 0.000 2.103 285 D HA -0.031 4.611 4.640 0.004 0.000 0.199 285 D C 0.974 177.263 176.300 -0.019 0.000 0.978 285 D CA 0.742 54.730 54.000 -0.020 0.000 0.829 285 D CB -0.105 40.684 40.800 -0.017 0.000 0.981 285 D HN 0.233 nan 8.370 nan 0.000 0.464 286 I N -0.021 120.541 120.570 -0.014 0.000 3.327 286 I HA 0.195 4.367 4.170 0.004 0.000 0.280 286 I C -2.180 173.931 176.117 -0.009 0.000 1.207 286 I CA -1.938 59.358 61.300 -0.007 0.000 1.280 286 I CB -1.017 36.984 38.000 0.001 0.000 1.417 286 I HN -0.182 nan 8.210 nan 0.000 0.639 287 P HA 0.416 nan 4.420 nan 0.000 0.287 287 P C -2.685 174.619 177.300 0.008 0.000 1.270 287 P CA -1.581 61.512 63.100 -0.011 0.000 0.844 287 P CB 0.083 31.781 31.700 -0.003 0.000 1.068 288 P HA 0.019 nan 4.420 nan 0.000 0.261 288 P C 0.246 177.573 177.300 0.044 0.000 1.165 288 P CA 0.269 63.396 63.100 0.045 0.000 0.759 288 P CB 0.061 31.807 31.700 0.076 0.000 0.772 289 I N 3.074 123.667 120.570 0.039 0.000 2.779 289 I HA 0.231 4.403 4.170 0.004 0.000 0.285 289 I C 0.206 176.290 176.117 -0.055 0.000 1.134 289 I CA -0.105 61.154 61.300 -0.067 0.000 1.398 289 I CB 0.468 38.295 38.000 -0.289 0.000 1.404 289 I HN 0.309 nan 8.210 nan 0.000 0.587 290 K N 5.021 125.376 120.400 -0.076 0.000 2.375 290 K HA 0.912 5.235 4.320 0.004 0.000 0.249 290 K C -0.804 175.754 176.600 -0.071 0.000 0.942 290 K CA -0.627 55.634 56.287 -0.043 0.000 0.806 290 K CB 1.756 34.250 32.500 -0.010 0.000 1.227 290 K HN 0.755 nan 8.250 nan 0.000 0.430 291 G N 0.605 109.374 108.800 -0.052 0.000 2.660 291 G HA2 0.518 4.481 3.960 0.004 0.000 0.294 291 G HA3 0.518 4.481 3.960 0.004 0.000 0.294 291 G C -1.186 173.698 174.900 -0.027 0.000 1.369 291 G CA -1.022 44.047 45.100 -0.053 0.000 0.912 291 G HN 0.637 nan 8.290 nan 0.000 0.479 292 T N 0.584 115.125 114.554 -0.022 0.000 2.897 292 T HA 0.489 4.841 4.350 0.004 0.000 0.294 292 T C 1.093 175.788 174.700 -0.008 0.000 1.004 292 T CA -0.201 61.892 62.100 -0.011 0.000 1.106 292 T CB 1.151 70.013 68.868 -0.009 0.000 0.949 292 T HN 0.834 nan 8.240 nan 0.000 0.520 293 T N 0.592 115.145 114.554 -0.002 0.000 2.766 293 T HA 0.215 4.567 4.350 0.004 0.000 0.295 293 T C -1.304 173.399 174.700 0.006 0.000 1.024 293 T CA -1.624 60.478 62.100 0.003 0.000 1.018 293 T CB 0.161 69.032 68.868 0.005 0.000 1.002 293 T HN 0.349 nan 8.240 nan 0.000 0.532 294 P HA -0.099 nan 4.420 nan 0.000 0.221 294 P C 0.960 178.269 177.300 0.014 0.000 1.145 294 P CA 1.076 64.186 63.100 0.016 0.000 0.795 294 P CB 0.227 31.943 31.700 0.027 0.000 0.775 295 E N -1.052 119.155 120.200 0.012 0.000 2.166 295 E HA 0.114 4.466 4.350 0.004 0.000 0.192 295 E C 1.844 178.449 176.600 0.009 0.000 0.967 295 E CA 1.354 57.761 56.400 0.011 0.000 0.840 295 E CB -0.275 29.431 29.700 0.010 0.000 0.795 295 E HN 0.391 nan 8.360 nan 0.000 0.470 296 G N 0.637 109.441 108.800 0.007 0.000 2.935 296 G HA2 -0.128 3.834 3.960 0.004 0.000 0.213 296 G HA3 -0.128 3.834 3.960 0.004 0.000 0.213 296 G C -0.214 174.689 174.900 0.005 0.000 0.984 296 G CA -0.541 44.562 45.100 0.006 0.000 0.790 296 G HN -0.011 nan 8.290 nan 0.000 0.538 297 E N 2.434 122.637 120.200 0.006 0.000 2.003 297 E HA 0.375 4.728 4.350 0.004 0.000 0.279 297 E C 1.096 177.698 176.600 0.004 0.000 1.132 297 E CA -0.177 56.226 56.400 0.006 0.000 0.888 297 E CB 1.369 31.072 29.700 0.006 0.000 1.056 297 E HN 0.867 nan 8.360 nan 0.000 0.399 298 V N 1.719 121.636 119.914 0.004 0.000 2.644 298 V HA 0.109 4.232 4.120 0.004 0.000 0.305 298 V C 0.493 176.589 176.094 0.004 0.000 1.053 298 V CA -0.469 61.832 62.300 0.001 0.000 1.186 298 V CB 0.074 31.899 31.823 0.002 0.000 0.895 298 V HN 0.292 nan 8.190 nan 0.000 0.490 299 V N 2.079 121.994 119.914 0.001 0.000 2.864 299 V HA 0.766 4.889 4.120 0.004 0.000 0.314 299 V C -0.161 175.939 176.094 0.010 0.000 1.073 299 V CA -0.806 61.497 62.300 0.004 0.000 0.956 299 V CB 1.679 33.500 31.823 -0.003 0.000 1.023 299 V HN 1.133 nan 8.190 nan 0.000 0.435 300 E N 3.290 123.508 120.200 0.030 0.000 2.301 300 E HA 0.647 4.999 4.350 0.004 0.000 0.275 300 E C -0.988 175.662 176.600 0.083 0.000 1.030 300 E CA -0.729 55.712 56.400 0.068 0.000 0.852 300 E CB 2.018 31.791 29.700 0.122 0.000 1.060 300 E HN 0.685 nan 8.360 nan 0.000 0.401 301 I N 3.490 124.127 120.570 0.111 0.000 2.428 301 I HA 0.165 4.338 4.170 0.004 0.000 0.279 301 I C -0.033 176.226 176.117 0.236 0.000 1.040 301 I CA -0.588 60.783 61.300 0.120 0.000 1.171 301 I CB 0.491 38.525 38.000 0.057 0.000 1.312 301 I HN 0.518 nan 8.210 nan 0.000 0.470 302 H N 6.667 125.771 119.070 0.056 0.000 2.790 302 H HA 0.126 4.685 4.556 0.004 0.000 0.358 302 H C -1.838 173.540 175.328 0.082 0.000 1.103 302 H CA -1.708 54.379 56.048 0.064 0.000 1.426 302 H CB 0.594 30.384 29.762 0.048 0.000 1.424 302 H HN 0.347 nan 8.280 nan 0.000 0.599 303 P HA -0.003 nan 4.420 nan 0.000 0.237 303 P C -0.821 176.558 177.300 0.132 0.000 1.788 303 P CA -0.029 63.160 63.100 0.148 0.000 1.061 303 P CB -0.147 31.615 31.700 0.103 0.000 1.967 304 D N 3.231 123.712 120.400 0.135 0.000 2.329 304 D HA 0.231 4.874 4.640 0.004 0.000 0.232 304 D C -1.688 174.671 176.300 0.097 0.000 1.088 304 D CA -2.607 51.459 54.000 0.112 0.000 0.835 304 D CB 1.562 42.420 40.800 0.098 0.000 1.078 304 D HN 0.012 nan 8.370 nan 0.000 0.495 305 P HA -0.027 nan 4.420 nan 0.000 0.221 305 P C 0.363 177.695 177.300 0.054 0.000 1.150 305 P CA 0.651 63.802 63.100 0.085 0.000 0.800 305 P CB 0.329 32.101 31.700 0.120 0.000 0.787 306 N N -0.774 117.960 118.700 0.056 0.000 2.314 306 N HA 0.124 4.867 4.740 0.004 0.000 0.200 306 N C 0.897 176.429 175.510 0.036 0.000 1.135 306 N CA 0.334 53.408 53.050 0.040 0.000 0.835 306 N CB 0.172 38.683 38.487 0.040 0.000 0.989 306 N HN 0.116 nan 8.380 nan 0.000 0.478 307 G N 0.302 109.128 108.800 0.042 0.000 2.735 307 G HA2 0.511 4.473 3.960 0.004 0.000 0.301 307 G HA3 0.511 4.473 3.960 0.004 0.000 0.301 307 G C -2.849 172.074 174.900 0.039 0.000 1.279 307 G CA -1.512 43.609 45.100 0.036 0.000 1.019 307 G HN -0.152 nan 8.290 nan 0.000 0.497 308 P HA 0.058 nan 4.420 nan 0.000 0.261 308 P C -0.024 177.308 177.300 0.054 0.000 1.165 308 P CA -0.064 63.061 63.100 0.041 0.000 0.759 308 P CB 0.509 32.231 31.700 0.036 0.000 0.772 309 L N 3.529 124.785 121.223 0.055 0.000 2.439 309 L HA 0.539 4.881 4.340 0.004 0.000 0.269 309 L C -0.321 176.595 176.870 0.077 0.000 1.179 309 L CA 0.240 55.118 54.840 0.064 0.000 0.828 309 L CB 0.151 42.242 42.059 0.053 0.000 1.106 309 L HN 0.484 nan 8.230 nan 0.000 0.467 310 A N 4.056 126.936 122.820 0.101 0.000 2.491 310 A HA 0.866 5.188 4.320 0.004 0.000 0.293 310 A C -1.174 176.522 177.584 0.186 0.000 1.047 310 A CA 0.033 52.141 52.037 0.119 0.000 0.735 310 A CB 0.967 20.034 19.000 0.112 0.000 1.281 310 A HN 1.317 nan 8.150 nan 0.000 0.398 311 A N 1.748 124.672 122.820 0.174 0.000 2.569 311 A HA 0.913 5.235 4.320 0.004 0.000 0.290 311 A C -1.723 175.993 177.584 0.220 0.000 1.136 311 A CA -0.570 51.590 52.037 0.206 0.000 0.710 311 A CB 1.591 20.647 19.000 0.093 0.000 1.303 311 A HN 1.702 nan 8.150 nan 0.000 0.413 312 L N 0.747 122.129 121.223 0.265 0.000 2.436 312 L HA 0.769 5.112 4.340 0.004 0.000 0.268 312 L C -0.193 176.789 176.870 0.186 0.000 0.974 312 L CA -0.297 54.679 54.840 0.228 0.000 0.826 312 L CB 1.431 43.691 42.059 0.336 0.000 1.291 312 L HN 1.090 nan 8.230 nan 0.000 0.406 313 A N 3.978 126.864 122.820 0.110 0.000 2.320 313 A HA 0.466 4.788 4.320 0.004 0.000 0.287 313 A C -0.078 177.579 177.584 0.122 0.000 1.181 313 A CA -0.360 51.708 52.037 0.051 0.000 0.831 313 A CB -0.007 18.994 19.000 0.003 0.000 1.102 313 A HN 0.711 nan 8.150 nan 0.000 0.513 314 F N 0.861 120.845 119.950 0.056 0.000 2.752 314 F HA 0.637 5.167 4.527 0.004 0.000 0.310 314 F C 0.065 175.869 175.800 0.007 0.000 1.097 314 F CA -0.471 57.542 58.000 0.021 0.000 1.238 314 F CB 0.207 39.208 39.000 0.002 0.000 1.061 314 F HN 0.384 nan 8.300 nan 0.000 0.591 315 K N 0.815 121.090 120.400 -0.208 0.000 2.562 315 K HA 0.632 4.954 4.320 0.004 0.000 0.267 315 K C -1.882 174.709 176.600 -0.016 0.000 0.938 315 K CA -0.432 55.807 56.287 -0.079 0.000 0.840 315 K CB 1.997 34.394 32.500 -0.172 0.000 1.390 315 K HN 0.207 nan 8.250 nan 0.000 0.428 316 I N 4.938 125.529 120.570 0.034 0.000 2.521 316 I HA 0.342 4.514 4.170 0.004 0.000 0.277 316 I C -0.602 175.552 176.117 0.061 0.000 1.054 316 I CA -0.485 60.837 61.300 0.037 0.000 1.117 316 I CB 1.205 39.204 38.000 -0.001 0.000 1.217 316 I HN 0.392 nan 8.210 nan 0.000 0.469 317 M N 4.177 123.849 119.600 0.120 0.000 2.478 317 M HA 0.633 5.115 4.480 0.004 0.000 0.327 317 M C 0.016 176.342 176.300 0.043 0.000 1.187 317 M CA -0.624 54.740 55.300 0.107 0.000 1.022 317 M CB 2.049 34.782 32.600 0.223 0.000 1.629 317 M HN 0.531 nan 8.290 nan 0.000 0.461 318 A N 1.898 124.738 122.820 0.033 0.000 2.394 318 A HA 0.260 4.582 4.320 0.004 0.000 0.333 318 A C -0.435 177.160 177.584 0.018 0.000 1.397 318 A CA -0.638 51.406 52.037 0.011 0.000 0.884 318 A CB 0.049 19.058 19.000 0.015 0.000 1.147 318 A HN 0.841 nan 8.150 nan 0.000 0.505 319 D N 4.612 125.005 120.400 -0.012 0.000 2.450 319 D HA 0.053 4.695 4.640 0.004 0.000 0.247 319 D C -1.110 175.214 176.300 0.040 0.000 1.162 319 D CA -0.852 53.135 54.000 -0.020 0.000 0.879 319 D CB 1.258 41.976 40.800 -0.136 0.000 1.163 319 D HN 0.327 nan 8.370 nan 0.000 0.472 320 P HA -0.146 nan 4.420 nan 0.000 0.229 320 P C 0.215 177.696 177.300 0.302 0.000 1.150 320 P CA 1.106 64.323 63.100 0.195 0.000 0.765 320 P CB -0.136 31.693 31.700 0.215 0.000 0.783 321 Y N -4.788 115.513 120.300 0.003 0.000 2.858 321 Y HA 0.416 4.968 4.550 0.004 0.000 0.270 321 Y C 0.793 176.689 175.900 -0.008 0.000 1.063 321 Y CA -0.609 57.490 58.100 -0.001 0.000 1.263 321 Y CB -0.339 38.122 38.460 0.002 0.000 1.378 321 Y HN -0.310 nan 8.280 nan 0.000 0.578 322 V N 0.091 119.909 119.914 -0.161 0.000 3.485 322 V HA 0.698 4.821 4.120 0.004 0.000 0.280 322 V C 1.175 177.211 176.094 -0.097 0.000 1.495 322 V CA 0.207 62.415 62.300 -0.154 0.000 1.018 322 V CB 0.331 32.015 31.823 -0.233 0.000 0.818 322 V HN 0.840 nan 8.190 nan 0.000 0.436 323 G N 1.240 109.999 108.800 -0.069 0.000 2.660 323 G HA2 -0.228 3.735 3.960 0.004 0.000 0.247 323 G HA3 -0.228 3.735 3.960 0.004 0.000 0.247 323 G C -0.147 174.713 174.900 -0.067 0.000 1.328 323 G CA -0.230 44.840 45.100 -0.049 0.000 0.884 323 G HN 0.427 nan 8.290 nan 0.000 0.531 324 R N -0.204 120.264 120.500 -0.055 0.000 2.763 324 R HA 0.110 4.452 4.340 0.004 0.000 0.348 324 R C -0.098 176.136 176.300 -0.111 0.000 0.826 324 R CA 0.336 56.398 56.100 -0.063 0.000 1.109 324 R CB -0.736 29.534 30.300 -0.050 0.000 0.889 324 R HN 0.419 nan 8.270 nan 0.000 0.402 325 L N 4.180 125.319 121.223 -0.140 0.000 2.282 325 L HA 0.278 4.620 4.340 0.004 0.000 0.288 325 L C 0.031 176.727 176.870 -0.289 0.000 1.033 325 L CA -0.311 54.364 54.840 -0.275 0.000 0.807 325 L CB 2.108 43.955 42.059 -0.352 0.000 1.209 325 L HN 0.545 nan 8.230 nan 0.000 0.423 326 T N 3.516 117.864 114.554 -0.343 0.000 2.758 326 T HA 0.461 4.813 4.350 0.004 0.000 0.285 326 T C -0.487 173.965 174.700 -0.413 0.000 0.981 326 T CA -0.241 61.701 62.100 -0.264 0.000 0.965 326 T CB 0.263 69.029 68.868 -0.170 0.000 0.927 326 T HN 0.065 nan 8.240 nan 0.000 0.448 327 F N 4.415 124.147 119.950 -0.363 0.000 2.411 327 F HA 0.572 5.102 4.527 0.004 0.000 0.350 327 F C 0.668 176.105 175.800 -0.604 0.000 1.114 327 F CA -0.997 56.676 58.000 -0.545 0.000 1.135 327 F CB 0.578 39.065 39.000 -0.855 0.000 1.120 327 F HN 0.452 nan 8.300 nan 0.000 0.495 328 I N 0.658 121.135 120.570 -0.155 0.000 3.108 328 I HA 0.836 5.008 4.170 0.004 0.000 0.312 328 I C -0.969 175.219 176.117 0.119 0.000 1.095 328 I CA -1.419 59.869 61.300 -0.021 0.000 1.000 328 I CB 2.313 40.301 38.000 -0.020 0.000 1.229 328 I HN 0.430 nan 8.210 nan 0.000 0.454 329 R N 2.546 123.123 120.500 0.129 0.000 2.532 329 R HA 0.660 5.002 4.340 0.004 0.000 0.297 329 R C -2.171 174.015 176.300 -0.191 0.000 0.984 329 R CA -0.650 55.439 56.100 -0.017 0.000 0.884 329 R CB 1.691 31.971 30.300 -0.034 0.000 1.182 329 R HN 0.604 nan 8.270 nan 0.000 0.442 330 V N 6.799 126.586 119.914 -0.212 0.000 2.383 330 V HA 0.276 4.398 4.120 0.004 0.000 0.275 330 V C 0.140 176.071 176.094 -0.272 0.000 1.036 330 V CA -0.345 61.865 62.300 -0.150 0.000 0.889 330 V CB 0.732 32.527 31.823 -0.046 0.000 0.985 330 V HN 0.799 nan 8.190 nan 0.000 0.459 331 Y N 2.168 122.499 120.300 0.053 0.000 2.230 331 Y HA 0.128 4.680 4.550 0.004 0.000 0.294 331 Y C 1.692 177.629 175.900 0.061 0.000 1.120 331 Y CA 1.191 59.323 58.100 0.054 0.000 1.129 331 Y CB 0.291 38.779 38.460 0.048 0.000 1.040 331 Y HN 0.591 nan 8.280 nan 0.000 0.519 332 S N -1.254 114.561 115.700 0.192 0.000 2.599 332 S HA 0.605 5.078 4.470 0.004 0.000 0.294 332 S C 0.032 174.685 174.600 0.088 0.000 1.094 332 S CA -0.118 58.160 58.200 0.130 0.000 0.931 332 S CB 1.022 64.294 63.200 0.121 0.000 1.093 332 S HN 0.804 nan 8.310 nan 0.000 0.488 333 G N 1.877 110.720 108.800 0.072 0.000 2.553 333 G HA2 -0.130 3.833 3.960 0.004 0.000 0.242 333 G HA3 -0.130 3.833 3.960 0.004 0.000 0.242 333 G C -0.570 174.346 174.900 0.026 0.000 1.277 333 G CA -0.036 45.093 45.100 0.048 0.000 0.910 333 G HN 1.256 nan 8.290 nan 0.000 0.576 334 T N 0.422 114.980 114.554 0.007 0.000 2.971 334 T HA 0.581 4.933 4.350 0.004 0.000 0.304 334 T C -0.412 174.277 174.700 -0.019 0.000 1.038 334 T CA -0.533 61.552 62.100 -0.025 0.000 1.007 334 T CB 1.841 70.684 68.868 -0.043 0.000 1.055 334 T HN 0.768 nan 8.240 nan 0.000 0.451 335 L N 4.288 125.494 121.223 -0.029 0.000 2.265 335 L HA 0.539 4.882 4.340 0.004 0.000 0.289 335 L C 0.044 176.889 176.870 -0.041 0.000 1.033 335 L CA -0.473 54.352 54.840 -0.025 0.000 0.814 335 L CB 0.984 43.028 42.059 -0.026 0.000 1.203 335 L HN 0.835 nan 8.230 nan 0.000 0.423 336 T N 0.398 114.929 114.554 -0.038 0.000 2.867 336 T HA 0.212 4.565 4.350 0.004 0.000 0.282 336 T C 0.245 174.911 174.700 -0.057 0.000 1.000 336 T CA -0.585 61.488 62.100 -0.046 0.000 1.042 336 T CB 1.688 70.534 68.868 -0.036 0.000 0.973 336 T HN 0.537 nan 8.240 nan 0.000 0.465 337 S N 1.709 117.372 115.700 -0.061 0.000 2.546 337 S HA 0.404 4.877 4.470 0.004 0.000 0.290 337 S C 1.374 175.924 174.600 -0.084 0.000 1.290 337 S CA 0.657 58.814 58.200 -0.072 0.000 1.069 337 S CB -1.023 62.139 63.200 -0.062 0.000 0.846 337 S HN 1.968 nan 8.310 nan 0.000 0.495 338 G N 3.662 112.394 108.800 -0.113 0.000 2.385 338 G HA2 -0.146 3.816 3.960 0.004 0.000 0.294 338 G HA3 -0.146 3.816 3.960 0.004 0.000 0.294 338 G C -0.072 174.719 174.900 -0.180 0.000 1.070 338 G CA 0.233 45.242 45.100 -0.152 0.000 1.172 338 G HN 1.511 nan 8.290 nan 0.000 0.516 339 S N -0.641 114.934 115.700 -0.208 0.000 2.697 339 S HA 0.832 5.304 4.470 0.004 0.000 0.289 339 S C -0.803 173.637 174.600 -0.266 0.000 1.149 339 S CA -1.195 56.904 58.200 -0.169 0.000 0.850 339 S CB 1.827 64.995 63.200 -0.053 0.000 1.151 339 S HN 0.551 nan 8.310 nan 0.000 0.491 340 Y N 0.527 120.828 120.300 0.002 0.000 2.341 340 Y HA 0.613 5.166 4.550 0.004 0.000 0.337 340 Y C 0.307 176.225 175.900 0.029 0.000 1.014 340 Y CA -0.578 57.528 58.100 0.011 0.000 1.111 340 Y CB 1.826 40.287 38.460 0.002 0.000 1.194 340 Y HN 0.747 nan 8.280 nan 0.000 0.462 341 V N 0.823 120.850 119.914 0.188 0.000 3.001 341 V HA 0.572 4.695 4.120 0.004 0.000 0.314 341 V C -1.882 174.355 176.094 0.239 0.000 1.099 341 V CA -1.141 61.256 62.300 0.162 0.000 0.989 341 V CB 2.297 34.172 31.823 0.087 0.000 1.040 341 V HN 0.568 nan 8.190 nan 0.000 0.434 342 Y N 3.528 123.859 120.300 0.051 0.000 2.356 342 Y HA 0.505 5.057 4.550 0.004 0.000 0.334 342 Y C 0.128 176.047 175.900 0.031 0.000 0.958 342 Y CA -1.662 56.463 58.100 0.040 0.000 1.196 342 Y CB 1.159 39.638 38.460 0.031 0.000 1.137 342 Y HN 0.954 nan 8.280 nan 0.000 0.485 343 N N 3.889 122.499 118.700 -0.149 0.000 2.402 343 N HA -0.046 4.696 4.740 0.004 0.000 0.259 343 N C 0.934 176.104 175.510 -0.566 0.000 1.167 343 N CA 0.857 53.761 53.050 -0.243 0.000 0.949 343 N CB 0.975 39.400 38.487 -0.105 0.000 1.212 343 N HN 0.853 nan 8.380 nan 0.000 0.493 344 T N -0.655 113.593 114.554 -0.510 0.000 2.995 344 T HA -0.140 4.213 4.350 0.004 0.000 0.269 344 T C 1.444 175.986 174.700 -0.264 0.000 1.091 344 T CA 1.520 63.320 62.100 -0.500 0.000 1.128 344 T CB -0.444 68.265 68.868 -0.265 0.000 0.891 344 T HN 0.499 nan 8.240 nan 0.000 0.492 345 T N -1.889 112.558 114.554 -0.177 0.000 3.188 345 T HA 0.390 4.742 4.350 0.004 0.000 0.250 345 T C 1.110 175.760 174.700 -0.084 0.000 1.077 345 T CA -0.278 61.762 62.100 -0.100 0.000 0.967 345 T CB -0.163 68.667 68.868 -0.063 0.000 1.006 345 T HN 0.423 nan 8.240 nan 0.000 0.552 346 K N -0.897 119.433 120.400 -0.116 0.000 2.608 346 K HA 0.331 4.653 4.320 0.004 0.000 0.214 346 K C 1.386 177.961 176.600 -0.042 0.000 1.469 346 K CA 0.302 56.552 56.287 -0.062 0.000 1.012 346 K CB 0.590 33.064 32.500 -0.044 0.000 1.211 346 K HN 0.290 nan 8.250 nan 0.000 0.627 347 G N 2.357 111.086 108.800 -0.118 0.000 2.205 347 G HA2 -0.302 3.660 3.960 0.004 0.000 0.269 347 G HA3 -0.302 3.660 3.960 0.004 0.000 0.269 347 G C 0.124 175.222 174.900 0.330 0.000 0.977 347 G CA 0.665 45.799 45.100 0.056 0.000 0.652 347 G HN 0.076 nan 8.290 nan 0.000 0.539 348 R N 0.013 120.614 120.500 0.168 0.000 2.543 348 R HA 0.573 4.915 4.340 0.004 0.000 0.268 348 R C 0.341 176.856 176.300 0.358 0.000 1.067 348 R CA -0.554 55.678 56.100 0.219 0.000 1.142 348 R CB 0.848 31.207 30.300 0.099 0.000 1.110 348 R HN 0.305 nan 8.270 nan 0.000 0.549 349 K N 1.212 121.766 120.400 0.256 0.000 2.138 349 K HA 0.214 4.536 4.320 0.004 0.000 0.263 349 K C -0.568 176.148 176.600 0.193 0.000 0.965 349 K CA -0.328 56.105 56.287 0.242 0.000 0.868 349 K CB 1.070 33.628 32.500 0.097 0.000 1.083 349 K HN 0.366 nan 8.250 nan 0.000 0.443 350 E N 1.893 122.219 120.200 0.209 0.000 2.393 350 E HA 0.270 4.623 4.350 0.004 0.000 0.273 350 E C -1.348 175.330 176.600 0.130 0.000 0.918 350 E CA -1.025 55.459 56.400 0.140 0.000 0.773 350 E CB 2.275 32.020 29.700 0.075 0.000 1.275 350 E HN 0.340 nan 8.360 nan 0.000 0.451 351 R N 0.741 121.252 120.500 0.018 0.000 2.343 351 R HA 0.319 4.662 4.340 0.004 0.000 0.320 351 R C -1.356 174.850 176.300 -0.158 0.000 0.956 351 R CA -0.476 55.517 56.100 -0.178 0.000 0.836 351 R CB 0.982 31.154 30.300 -0.213 0.000 1.151 351 R HN 0.232 nan 8.270 nan 0.000 0.450 352 V N 6.415 126.218 119.914 -0.186 0.000 2.352 352 V HA 0.214 4.336 4.120 0.004 0.000 0.253 352 V C 1.324 177.328 176.094 -0.149 0.000 1.083 352 V CA 0.481 62.698 62.300 -0.138 0.000 0.993 352 V CB -0.092 31.663 31.823 -0.114 0.000 1.111 352 V HN 1.034 nan 8.190 nan 0.000 0.490 353 A N 6.596 129.339 122.820 -0.127 0.000 1.824 353 A HA 0.009 4.332 4.320 0.004 0.000 0.215 353 A C 1.224 178.747 177.584 -0.102 0.000 1.209 353 A CA 1.193 53.162 52.037 -0.113 0.000 0.614 353 A CB 0.002 18.946 19.000 -0.093 0.000 0.852 353 A HN 0.716 nan 8.150 nan 0.000 0.447 354 R N -2.227 118.214 120.500 -0.099 0.000 2.912 354 R HA 0.766 5.108 4.340 0.004 0.000 0.262 354 R C -1.515 174.725 176.300 -0.100 0.000 1.057 354 R CA -0.717 55.328 56.100 -0.091 0.000 0.981 354 R CB 1.409 31.659 30.300 -0.084 0.000 1.201 354 R HN 0.273 nan 8.270 nan 0.000 0.484 355 L N 1.878 123.049 121.223 -0.087 0.000 2.362 355 L HA 0.575 4.917 4.340 0.004 0.000 0.275 355 L C -0.923 175.901 176.870 -0.077 0.000 0.998 355 L CA -0.699 54.087 54.840 -0.090 0.000 0.820 355 L CB 1.598 43.614 42.059 -0.071 0.000 1.270 355 L HN 0.326 nan 8.230 nan 0.000 0.415 356 L N 2.984 124.149 121.223 -0.097 0.000 2.354 356 L HA 0.618 4.961 4.340 0.004 0.000 0.264 356 L C -0.599 176.256 176.870 -0.025 0.000 1.008 356 L CA -0.811 53.988 54.840 -0.069 0.000 0.819 356 L CB 2.643 44.629 42.059 -0.122 0.000 1.339 356 L HN 0.576 nan 8.230 nan 0.000 0.420 357 R N 2.308 122.840 120.500 0.053 0.000 2.473 357 R HA 0.438 4.781 4.340 0.004 0.000 0.303 357 R C -1.113 175.300 176.300 0.189 0.000 1.002 357 R CA -0.961 55.209 56.100 0.116 0.000 0.884 357 R CB 1.965 32.380 30.300 0.191 0.000 1.173 357 R HN 0.407 nan 8.270 nan 0.000 0.464 358 M N 2.493 122.180 119.600 0.146 0.000 2.228 358 M HA 0.181 4.664 4.480 0.004 0.000 0.351 358 M C -0.206 176.155 176.300 0.102 0.000 1.233 358 M CA 0.375 55.763 55.300 0.146 0.000 1.129 358 M CB 0.373 33.067 32.600 0.157 0.000 1.604 358 M HN 0.466 nan 8.290 nan 0.000 0.457 359 H N 0.256 119.234 119.070 -0.154 0.000 2.995 359 H HA 0.732 5.291 4.556 0.004 0.000 0.305 359 H C 0.764 176.027 175.328 -0.109 0.000 1.510 359 H CA -0.130 55.798 56.048 -0.201 0.000 1.376 359 H CB 0.393 29.847 29.762 -0.514 0.000 1.918 359 H HN 0.670 nan 8.280 nan 0.000 0.709 360 A N 0.283 123.154 122.820 0.085 0.000 1.829 360 A HA -0.135 4.187 4.320 0.004 0.000 0.216 360 A C 0.139 177.775 177.584 0.087 0.000 1.207 360 A CA 1.644 53.726 52.037 0.075 0.000 0.622 360 A CB -0.774 18.281 19.000 0.091 0.000 0.846 360 A HN 0.728 nan 8.150 nan 0.000 0.447 361 N N 0.055 118.827 118.700 0.121 0.000 2.558 361 N HA 0.488 5.231 4.740 0.004 0.000 0.242 361 N C -0.821 174.834 175.510 0.242 0.000 0.979 361 N CA 0.114 53.256 53.050 0.153 0.000 0.931 361 N CB 0.761 39.338 38.487 0.150 0.000 1.122 361 N HN 0.706 nan 8.380 nan 0.000 0.508 362 H N 0.219 119.330 119.070 0.070 0.000 2.965 362 H HA -0.100 4.458 4.556 0.004 0.000 0.254 362 H C -1.610 173.729 175.328 0.019 0.000 1.156 362 H CA -0.759 55.301 56.048 0.021 0.000 1.893 362 H CB -0.166 29.567 29.762 -0.048 0.000 1.686 362 H HN 0.471 nan 8.280 nan 0.000 0.429 363 R N 1.611 122.192 120.500 0.135 0.000 2.720 363 R HA 0.557 4.900 4.340 0.004 0.000 0.272 363 R C -0.161 176.210 176.300 0.119 0.000 0.991 363 R CA -0.673 55.469 56.100 0.071 0.000 1.010 363 R CB 2.005 32.322 30.300 0.029 0.000 1.141 363 R HN 0.692 nan 8.270 nan 0.000 0.494 364 E N 1.445 121.693 120.200 0.079 0.000 2.275 364 E HA 0.124 4.476 4.350 0.004 0.000 0.270 364 E C -1.452 175.180 176.600 0.053 0.000 0.882 364 E CA -0.541 55.903 56.400 0.073 0.000 0.758 364 E CB 2.192 31.943 29.700 0.086 0.000 1.195 364 E HN 0.572 nan 8.360 nan 0.000 0.419 365 E N 3.486 123.698 120.200 0.021 0.000 2.249 365 E HA 0.391 4.744 4.350 0.004 0.000 0.280 365 E C -0.679 175.924 176.600 0.004 0.000 1.016 365 E CA -0.764 55.635 56.400 -0.003 0.000 0.830 365 E CB 1.502 31.190 29.700 -0.020 0.000 1.081 365 E HN 0.408 nan 8.360 nan 0.000 0.395 366 V N 1.062 120.972 119.914 -0.007 0.000 3.074 366 V HA 0.414 4.536 4.120 0.004 0.000 0.314 366 V C 0.231 176.308 176.094 -0.028 0.000 1.117 366 V CA -0.525 61.771 62.300 -0.007 0.000 1.014 366 V CB 1.821 33.649 31.823 0.008 0.000 1.057 366 V HN 0.836 nan 8.190 nan 0.000 0.438 367 E N 0.954 121.135 120.200 -0.032 0.000 2.400 367 E HA 0.204 4.556 4.350 0.004 0.000 0.195 367 E C 0.025 176.594 176.600 -0.052 0.000 1.012 367 E CA 0.737 57.112 56.400 -0.042 0.000 0.875 367 E CB 0.315 29.992 29.700 -0.039 0.000 0.859 367 E HN 0.921 nan 8.360 nan 0.000 0.498 368 E N -0.231 119.934 120.200 -0.058 0.000 2.409 368 E HA 0.425 4.777 4.350 0.004 0.000 0.280 368 E C -1.492 175.059 176.600 -0.082 0.000 1.079 368 E CA -0.869 55.487 56.400 -0.073 0.000 0.840 368 E CB 1.060 30.706 29.700 -0.090 0.000 1.309 368 E HN -0.174 nan 8.360 nan 0.000 0.447 369 L N 1.882 123.054 121.223 -0.084 0.000 2.457 369 L HA 0.401 4.744 4.340 0.004 0.000 0.266 369 L C -0.551 176.264 176.870 -0.092 0.000 0.979 369 L CA -0.528 54.266 54.840 -0.077 0.000 0.857 369 L CB 1.386 43.417 42.059 -0.048 0.000 1.213 369 L HN 0.548 nan 8.230 nan 0.000 0.418 370 K N 1.630 121.937 120.400 -0.155 0.000 2.179 370 K HA 0.763 5.085 4.320 0.004 0.000 0.238 370 K C 0.130 176.740 176.600 0.015 0.000 1.033 370 K CA -0.816 55.397 56.287 -0.124 0.000 0.926 370 K CB 0.721 33.017 32.500 -0.340 0.000 1.151 370 K HN 0.589 nan 8.250 nan 0.000 0.492 371 A N 0.194 123.057 122.820 0.071 0.000 2.561 371 A HA 0.327 4.649 4.320 0.004 0.000 0.234 371 A C 1.173 178.817 177.584 0.099 0.000 1.055 371 A CA 0.919 53.003 52.037 0.078 0.000 0.756 371 A CB -1.039 18.023 19.000 0.102 0.000 0.986 371 A HN 0.917 nan 8.150 nan 0.000 0.505 372 G N 1.068 109.866 108.800 -0.003 0.000 2.159 372 G HA2 -0.198 3.764 3.960 0.004 0.000 0.256 372 G HA3 -0.198 3.764 3.960 0.004 0.000 0.256 372 G C 0.016 174.905 174.900 -0.017 0.000 0.977 372 G CA 0.540 45.624 45.100 -0.027 0.000 0.652 372 G HN 0.986 nan 8.290 nan 0.000 0.531 373 D N -0.579 119.823 120.400 0.004 0.000 2.392 373 D HA 0.800 5.443 4.640 0.004 0.000 0.246 373 D C -0.082 176.210 176.300 -0.015 0.000 1.013 373 D CA -0.268 53.742 54.000 0.018 0.000 0.993 373 D CB 1.701 42.546 40.800 0.074 0.000 1.219 373 D HN 0.114 nan 8.370 nan 0.000 0.538 374 L N -0.019 121.211 121.223 0.012 0.000 2.415 374 L HA 0.846 5.189 4.340 0.004 0.000 0.256 374 L C 0.515 177.426 176.870 0.068 0.000 1.010 374 L CA -0.493 54.381 54.840 0.057 0.000 0.826 374 L CB 2.325 44.459 42.059 0.126 0.000 1.405 374 L HN 0.563 nan 8.230 nan 0.000 0.410 375 G N -0.271 108.582 108.800 0.088 0.000 2.428 375 G HA2 0.726 4.688 3.960 0.004 0.000 0.304 375 G HA3 0.726 4.688 3.960 0.004 0.000 0.304 375 G C -2.203 172.674 174.900 -0.039 0.000 1.303 375 G CA -0.015 45.121 45.100 0.060 0.000 0.825 375 G HN 0.758 nan 8.290 nan 0.000 0.484 376 A N -0.947 121.722 122.820 -0.253 0.000 2.340 376 A HA 0.865 5.187 4.320 0.004 0.000 0.331 376 A C -0.196 177.164 177.584 -0.373 0.000 1.140 376 A CA -0.177 51.478 52.037 -0.636 0.000 0.801 376 A CB 1.586 19.935 19.000 -1.084 0.000 1.234 376 A HN 2.201 nan 8.150 nan 0.000 0.469 377 V N 1.608 121.313 119.914 -0.349 0.000 2.495 377 V HA 0.789 4.912 4.120 0.004 0.000 0.298 377 V C -0.537 175.427 176.094 -0.217 0.000 1.031 377 V CA -0.587 61.578 62.300 -0.225 0.000 0.871 377 V CB 1.321 33.049 31.823 -0.158 0.000 0.988 377 V HN 0.963 nan 8.190 nan 0.000 0.432 378 V N 3.972 123.783 119.914 -0.173 0.000 2.427 378 V HA 0.960 5.083 4.120 0.004 0.000 0.286 378 V C 1.208 177.233 176.094 -0.115 0.000 1.034 378 V CA 0.345 62.558 62.300 -0.146 0.000 0.893 378 V CB 0.134 31.877 31.823 -0.133 0.000 0.982 378 V HN 1.811 nan 8.190 nan 0.000 0.452 379 G N 3.332 112.073 108.800 -0.098 0.000 2.318 379 G HA2 -0.124 3.838 3.960 0.004 0.000 0.172 379 G HA3 -0.124 3.838 3.960 0.004 0.000 0.172 379 G C -0.173 174.690 174.900 -0.062 0.000 1.002 379 G CA -0.391 44.662 45.100 -0.079 0.000 0.697 379 G HN 0.600 nan 8.290 nan 0.000 0.483 380 L N 0.519 121.703 121.223 -0.064 0.000 2.375 380 L HA 0.608 4.950 4.340 0.004 0.000 0.271 380 L C 1.292 178.142 176.870 -0.033 0.000 1.107 380 L CA -0.101 54.714 54.840 -0.042 0.000 0.806 380 L CB 1.590 43.620 42.059 -0.049 0.000 1.146 380 L HN 0.181 nan 8.230 nan 0.000 0.447 381 K N 0.326 120.718 120.400 -0.014 0.000 2.511 381 K HA 0.121 4.443 4.320 0.004 0.000 0.206 381 K C 0.765 177.363 176.600 -0.004 0.000 1.333 381 K CA 0.031 56.312 56.287 -0.010 0.000 0.957 381 K CB 0.859 33.358 32.500 -0.001 0.000 1.172 381 K HN 0.534 nan 8.250 nan 0.000 0.547 382 E N 0.836 121.037 120.200 0.001 0.000 2.548 382 E HA 0.107 4.459 4.350 0.004 0.000 0.206 382 E C -0.763 175.835 176.600 -0.005 0.000 1.005 382 E CA 0.131 56.532 56.400 0.003 0.000 0.951 382 E CB 1.541 31.248 29.700 0.013 0.000 1.035 382 E HN 0.001 nan 8.360 nan 0.000 0.470 383 T N 2.054 116.601 114.554 -0.012 0.000 2.728 383 T HA 0.389 4.741 4.350 0.004 0.000 0.296 383 T C 0.194 174.883 174.700 -0.018 0.000 0.940 383 T CA -0.398 61.691 62.100 -0.018 0.000 1.013 383 T CB 0.058 68.911 68.868 -0.024 0.000 0.912 383 T HN 0.029 nan 8.240 nan 0.000 0.484 384 I N 0.890 121.453 120.570 -0.012 0.000 2.863 384 I HA 0.550 4.722 4.170 0.004 0.000 0.311 384 I C 0.511 176.627 176.117 -0.001 0.000 1.026 384 I CA -0.954 60.343 61.300 -0.006 0.000 1.077 384 I CB 0.379 38.379 38.000 -0.000 0.000 1.262 384 I HN 0.317 nan 8.210 nan 0.000 0.461 385 T N 3.143 117.701 114.554 0.006 0.000 2.891 385 T HA 0.335 4.687 4.350 0.004 0.000 0.296 385 T C 1.205 175.921 174.700 0.026 0.000 1.025 385 T CA 1.106 63.218 62.100 0.020 0.000 1.149 385 T CB -0.083 68.798 68.868 0.022 0.000 1.007 385 T HN 1.473 nan 8.240 nan 0.000 0.528 386 G N 2.665 111.491 108.800 0.043 0.000 2.195 386 G HA2 -0.201 3.761 3.960 0.004 0.000 0.246 386 G HA3 -0.201 3.761 3.960 0.004 0.000 0.246 386 G C -0.178 174.734 174.900 0.020 0.000 0.984 386 G CA -0.223 44.898 45.100 0.035 0.000 0.633 386 G HN 0.708 nan 8.290 nan 0.000 0.525 387 D N 1.431 121.838 120.400 0.013 0.000 2.302 387 D HA 0.526 5.168 4.640 0.004 0.000 0.248 387 D C 0.697 176.998 176.300 0.002 0.000 1.094 387 D CA 0.540 54.536 54.000 -0.006 0.000 0.897 387 D CB 1.147 41.935 40.800 -0.019 0.000 1.200 387 D HN 0.129 nan 8.370 nan 0.000 0.429 388 T N 1.565 116.106 114.554 -0.020 0.000 2.922 388 T HA 0.469 4.821 4.350 0.004 0.000 0.285 388 T C -0.176 174.507 174.700 -0.029 0.000 1.005 388 T CA -0.566 61.529 62.100 -0.010 0.000 1.061 388 T CB 0.853 69.703 68.868 -0.030 0.000 1.007 388 T HN 0.021 nan 8.240 nan 0.000 0.502 389 L N 3.456 124.682 121.223 0.006 0.000 2.442 389 L HA 0.429 4.771 4.340 0.004 0.000 0.261 389 L C -0.239 176.654 176.870 0.037 0.000 1.000 389 L CA -0.617 54.227 54.840 0.007 0.000 0.882 389 L CB 1.178 43.250 42.059 0.022 0.000 1.207 389 L HN 0.583 nan 8.230 nan 0.000 0.443 390 V N 0.040 119.977 119.914 0.039 0.000 2.834 390 V HA 1.037 5.160 4.120 0.004 0.000 0.313 390 V C 0.656 176.820 176.094 0.117 0.000 1.060 390 V CA -0.379 61.967 62.300 0.076 0.000 0.989 390 V CB 1.272 33.141 31.823 0.078 0.000 1.041 390 V HN 0.608 nan 8.190 nan 0.000 0.459 391 G N 1.140 110.000 108.800 0.101 0.000 2.510 391 G HA2 0.415 4.378 3.960 0.004 0.000 0.280 391 G HA3 0.415 4.378 3.960 0.004 0.000 0.280 391 G C 0.472 175.437 174.900 0.109 0.000 1.386 391 G CA 0.202 45.365 45.100 0.105 0.000 1.047 391 G HN 1.148 nan 8.290 nan 0.000 0.527 392 E N -0.383 119.869 120.200 0.086 0.000 2.295 392 E HA -0.286 4.066 4.350 0.004 0.000 0.240 392 E C -0.119 176.502 176.600 0.034 0.000 0.917 392 E CA 1.942 58.374 56.400 0.053 0.000 0.956 392 E CB -0.447 29.279 29.700 0.043 0.000 0.956 392 E HN 0.334 nan 8.360 nan 0.000 0.549 393 D N 1.364 121.780 120.400 0.028 0.000 3.179 393 D HA 0.423 5.066 4.640 0.004 0.000 0.267 393 D C -0.883 175.438 176.300 0.035 0.000 1.348 393 D CA 0.189 54.202 54.000 0.021 0.000 0.897 393 D CB 0.657 41.462 40.800 0.008 0.000 1.062 393 D HN 0.394 nan 8.370 nan 0.000 0.494 394 A N 2.157 125.011 122.820 0.056 0.000 2.312 394 A HA 0.547 4.869 4.320 0.004 0.000 0.326 394 A C -2.341 175.284 177.584 0.069 0.000 1.172 394 A CA -1.391 50.682 52.037 0.059 0.000 0.821 394 A CB 0.911 19.953 19.000 0.070 0.000 1.166 394 A HN -0.012 nan 8.150 nan 0.000 0.493 395 P HA 0.147 nan 4.420 nan 0.000 0.268 395 P C -0.840 176.497 177.300 0.062 0.000 1.204 395 P CA -0.085 63.046 63.100 0.051 0.000 0.768 395 P CB 0.474 32.192 31.700 0.031 0.000 0.842 396 R N 2.150 122.695 120.500 0.075 0.000 2.351 396 R HA 0.253 4.596 4.340 0.004 0.000 0.321 396 R C 0.201 176.515 176.300 0.024 0.000 1.182 396 R CA -0.198 55.942 56.100 0.067 0.000 1.011 396 R CB -0.766 29.599 30.300 0.108 0.000 1.048 396 R HN 0.330 nan 8.270 nan 0.000 0.490 397 V N 0.115 120.034 119.914 0.007 0.000 2.769 397 V HA 0.676 4.798 4.120 0.004 0.000 0.312 397 V C -0.068 176.010 176.094 -0.026 0.000 1.058 397 V CA -1.248 61.048 62.300 -0.007 0.000 0.952 397 V CB 1.954 33.774 31.823 -0.005 0.000 1.019 397 V HN 0.341 nan 8.190 nan 0.000 0.445 398 I N 3.061 123.613 120.570 -0.031 0.000 2.382 398 I HA 0.425 4.597 4.170 0.004 0.000 0.286 398 I C 0.750 176.840 176.117 -0.046 0.000 1.002 398 I CA -0.055 61.222 61.300 -0.040 0.000 1.135 398 I CB 1.563 39.542 38.000 -0.036 0.000 1.288 398 I HN 0.575 nan 8.210 nan 0.000 0.448 399 L N 3.580 124.768 121.223 -0.058 0.000 2.341 399 L HA 0.191 4.533 4.340 0.004 0.000 0.214 399 L C 1.119 177.945 176.870 -0.073 0.000 1.115 399 L CA 0.835 55.619 54.840 -0.093 0.000 0.820 399 L CB 0.039 42.009 42.059 -0.148 0.000 0.944 399 L HN 0.679 nan 8.230 nan 0.000 0.452 400 E N -1.233 118.941 120.200 -0.044 0.000 2.504 400 E HA 0.723 5.075 4.350 0.004 0.000 0.235 400 E C -0.587 175.999 176.600 -0.022 0.000 0.827 400 E CA 0.143 56.526 56.400 -0.029 0.000 0.903 400 E CB 1.707 31.397 29.700 -0.016 0.000 1.622 400 E HN 0.054 nan 8.360 nan 0.000 0.392 434 E N -0.185 120.023 120.200 0.013 0.000 2.106 434 E HA 0.340 4.693 4.350 0.004 0.000 0.192 434 E C 1.339 177.944 176.600 0.008 0.000 0.984 434 E CA 2.384 58.790 56.400 0.010 0.000 0.806 434 E CB -1.309 28.398 29.700 0.011 0.000 0.750 434 E HN 2.488 nan 8.360 nan 0.000 0.458 435 D N -3.986 116.426 120.400 0.019 0.000 10.757 435 D HA 0.376 5.018 4.640 0.004 0.000 0.352 435 D C -0.740 175.589 176.300 0.049 0.000 3.129 435 D CA 0.608 54.627 54.000 0.032 0.000 2.630 435 D CB -1.812 39.005 40.800 0.028 0.000 1.214 435 D HN 1.247 nan 8.370 nan 0.000 0.943 436 P HA 0.910 nan 4.420 nan 0.000 0.535 436 P C 0.897 178.314 177.300 0.195 0.000 0.870 436 P CA 2.026 65.255 63.100 0.215 0.000 2.501 436 P CB -0.430 31.409 31.700 0.232 0.000 1.155 437 T N -3.885 110.741 114.554 0.119 0.000 5.334 437 T HA 0.167 4.519 4.350 0.004 0.000 0.288 437 T C 1.287 176.024 174.700 0.062 0.000 1.733 437 T CA 1.567 63.718 62.100 0.084 0.000 2.925 437 T CB -2.742 66.183 68.868 0.095 0.000 1.649 437 T HN 1.487 nan 8.240 nan 0.000 1.007 438 F N -0.167 119.820 119.950 0.061 0.000 2.228 438 F HA 0.838 5.368 4.527 0.004 0.000 0.280 438 F C 1.104 176.922 175.800 0.031 0.000 1.235 438 F CA 0.629 58.656 58.000 0.045 0.000 1.235 438 F CB -0.264 38.764 39.000 0.047 0.000 1.506 438 F HN 1.806 nan 8.300 nan 0.000 0.502 439 R N -1.180 119.335 120.500 0.025 0.000 2.979 439 R HA 0.682 5.025 4.340 0.004 0.000 0.245 439 R C -1.150 175.160 176.300 0.018 0.000 1.104 439 R CA -0.080 56.031 56.100 0.018 0.000 1.056 439 R CB 0.145 30.452 30.300 0.012 0.000 1.265 439 R HN 2.679 nan 8.270 nan 0.000 0.470 440 V N 0.056 119.979 119.914 0.015 0.000 2.617 440 V HA 1.002 5.125 4.120 0.004 0.000 0.298 440 V C 0.798 176.898 176.094 0.010 0.000 1.048 440 V CA 0.226 62.534 62.300 0.014 0.000 0.964 440 V CB 1.168 32.999 31.823 0.013 0.000 1.004 440 V HN 1.971 nan 8.190 nan 0.000 0.466 441 S N 1.154 116.860 115.700 0.010 0.000 2.911 441 S HA 1.055 5.527 4.470 0.004 0.000 0.319 441 S C 0.545 175.147 174.600 0.003 0.000 1.154 441 S CA 0.648 58.852 58.200 0.006 0.000 0.857 441 S CB 1.374 64.579 63.200 0.009 0.000 1.279 441 S HN 2.241 nan 8.310 nan 0.000 0.593 442 T N -3.029 111.524 114.554 -0.002 0.000 3.949 442 T HA 0.615 4.968 4.350 0.004 0.000 0.325 442 T C 0.685 175.377 174.700 -0.014 0.000 0.893 442 T CA 1.986 64.083 62.100 -0.006 0.000 1.221 442 T CB -0.627 68.237 68.868 -0.005 0.000 1.023 442 T HN 2.671 nan 8.240 nan 0.000 0.504 449 T N -0.635 113.923 114.554 0.006 0.000 13.744 449 T HA 0.307 4.659 4.350 0.004 0.000 0.419 449 T C 2.297 177.006 174.700 0.013 0.000 1.443 449 T CA 3.370 65.475 62.100 0.010 0.000 2.349 449 T CB -2.498 66.377 68.868 0.012 0.000 2.778 449 T HN 2.560 nan 8.240 nan 0.000 0.457 450 I N 0.073 120.653 120.570 0.018 0.000 6.364 450 I HA 0.394 4.566 4.170 0.004 0.000 0.126 450 I C 1.339 177.472 176.117 0.025 0.000 1.442 450 I CA 1.414 62.729 61.300 0.025 0.000 2.500 450 I CB -2.450 35.565 38.000 0.026 0.000 2.730 450 I HN 2.395 nan 8.210 nan 0.000 0.290 451 I N 4.901 125.487 120.570 0.027 0.000 2.206 451 I HA 0.910 5.082 4.170 0.004 0.000 0.292 451 I C 1.177 177.312 176.117 0.029 0.000 1.156 451 I CA 0.171 61.487 61.300 0.026 0.000 1.356 451 I CB -0.319 37.696 38.000 0.025 0.000 1.494 451 I HN 2.570 nan 8.210 nan 0.000 0.601 452 S N 2.328 118.046 115.700 0.029 0.000 2.566 452 S HA 0.711 5.183 4.470 0.004 0.000 0.280 452 S C 0.835 175.451 174.600 0.027 0.000 1.343 452 S CA 0.457 58.675 58.200 0.030 0.000 1.036 452 S CB 0.284 63.498 63.200 0.024 0.000 0.866 452 S HN 2.177 nan 8.310 nan 0.000 0.526 453 G N -1.707 107.109 108.800 0.026 0.000 2.663 453 G HA2 0.677 4.639 3.960 0.004 0.000 0.299 453 G HA3 0.677 4.639 3.960 0.004 0.000 0.299 453 G C 0.668 175.584 174.900 0.027 0.000 1.372 453 G CA 0.500 45.614 45.100 0.025 0.000 0.781 453 G HN 1.480 nan 8.290 nan 0.000 0.491 454 M N -1.139 118.475 119.600 0.023 0.000 2.117 454 M HA 0.456 4.938 4.480 0.004 0.000 0.262 454 M C 1.807 178.137 176.300 0.050 0.000 1.065 454 M CA 3.250 58.575 55.300 0.042 0.000 1.114 454 M CB -1.219 31.399 32.600 0.029 0.000 1.361 454 M HN 1.990 nan 8.290 nan 0.000 0.408 455 G N -2.412 106.393 108.800 0.008 0.000 3.364 455 G HA2 0.578 4.540 3.960 0.004 0.000 0.137 455 G HA3 0.578 4.540 3.960 0.004 0.000 0.137 455 G C -0.210 174.688 174.900 -0.002 0.000 1.298 455 G CA 1.419 46.538 45.100 0.033 0.000 1.341 455 G HN 1.475 nan 8.290 nan 0.000 0.718 456 E N -2.469 117.692 120.200 -0.065 0.000 2.403 456 E HA 0.929 5.281 4.350 0.004 0.000 0.280 456 E C -0.789 175.733 176.600 -0.130 0.000 1.101 456 E CA 0.186 56.527 56.400 -0.098 0.000 0.856 456 E CB 0.593 30.211 29.700 -0.136 0.000 1.303 456 E HN 2.249 nan 8.360 nan 0.000 0.441 467 K N -0.652 119.730 120.400 -0.031 0.000 3.597 467 K HA 0.372 4.694 4.320 0.004 0.000 0.258 467 K C 0.785 177.388 176.600 0.005 0.000 0.779 467 K CA 3.061 59.365 56.287 0.029 0.000 0.550 467 K CB -2.059 30.459 32.500 0.030 0.000 1.693 467 K HN 2.789 nan 8.250 nan 0.000 0.462 468 R N -1.903 118.568 120.500 -0.048 0.000 3.124 468 R HA 0.617 4.960 4.340 0.004 0.000 0.212 468 R C 0.456 176.719 176.300 -0.062 0.000 1.677 468 R CA 0.988 57.071 56.100 -0.029 0.000 1.186 468 R CB -1.158 29.129 30.300 -0.021 0.000 1.571 468 R HN 1.217 nan 8.270 nan 0.000 0.583 469 E N -0.609 119.568 120.200 -0.038 0.000 2.489 469 E HA 0.565 4.918 4.350 0.004 0.000 0.204 469 E C 0.381 176.968 176.600 -0.022 0.000 1.006 469 E CA 0.814 57.180 56.400 -0.056 0.000 0.936 469 E CB 0.326 30.000 29.700 -0.042 0.000 1.002 469 E HN 1.781 nan 8.360 nan 0.000 0.488 470 F N 0.723 120.694 119.950 0.035 0.000 2.403 470 F HA 0.790 5.320 4.527 0.004 0.000 0.355 470 F C 0.259 176.108 175.800 0.080 0.000 1.119 470 F CA -0.877 57.177 58.000 0.091 0.000 1.007 470 F CB 0.524 39.627 39.000 0.171 0.000 1.194 470 F HN 0.316 nan 8.300 nan 0.000 0.443 471 K N 2.632 123.086 120.400 0.088 0.000 2.367 471 K HA 0.887 5.209 4.320 0.004 0.000 0.263 471 K C -0.535 176.116 176.600 0.085 0.000 1.000 471 K CA 0.120 56.455 56.287 0.079 0.000 0.891 471 K CB 0.615 33.163 32.500 0.080 0.000 1.117 471 K HN 2.361 nan 8.250 nan 0.000 0.443 472 V N -0.335 119.616 119.914 0.061 0.000 2.997 472 V HA 0.805 4.928 4.120 0.004 0.000 0.311 472 V C 0.239 176.361 176.094 0.045 0.000 1.066 472 V CA -0.047 62.285 62.300 0.052 0.000 1.039 472 V CB 1.243 33.084 31.823 0.031 0.000 1.081 472 V HN 1.028 nan 8.190 nan 0.000 0.467 473 D N 1.660 122.084 120.400 0.040 0.000 2.593 473 D HA 0.776 5.418 4.640 0.004 0.000 0.251 473 D C 0.491 176.805 176.300 0.024 0.000 1.140 473 D CA 0.505 54.524 54.000 0.032 0.000 0.855 473 D CB 1.321 42.140 40.800 0.032 0.000 1.267 473 D HN 2.602 nan 8.370 nan 0.000 0.532 474 A N 1.326 124.158 122.820 0.020 0.000 1.738 474 A HA -0.175 4.147 4.320 0.004 0.000 0.336 474 A C 1.858 179.452 177.584 0.016 0.000 1.830 474 A CA 3.772 55.819 52.037 0.016 0.000 1.071 474 A CB -1.700 17.308 19.000 0.014 0.000 1.468 474 A HN 2.270 nan 8.150 nan 0.000 0.710 475 N N -3.150 115.560 118.700 0.016 0.000 2.801 475 N HA 0.635 5.377 4.740 0.004 0.000 0.280 475 N C 2.738 178.256 175.510 0.014 0.000 0.835 475 N CA 1.891 54.950 53.050 0.014 0.000 1.145 475 N CB -0.631 37.864 38.487 0.013 0.000 1.516 475 N HN 2.048 nan 8.380 nan 0.000 1.122 476 V N 1.570 121.493 119.914 0.015 0.000 2.307 476 V HA 0.333 4.455 4.120 0.004 0.000 0.245 476 V C 2.040 178.145 176.094 0.019 0.000 1.045 476 V CA 1.814 64.124 62.300 0.015 0.000 1.024 476 V CB -1.554 30.278 31.823 0.015 0.000 0.651 476 V HN 0.865 nan 8.190 nan 0.000 0.449 477 G N 2.100 110.915 108.800 0.024 0.000 2.147 477 G HA2 0.112 4.074 3.960 0.004 0.000 0.269 477 G HA3 0.112 4.074 3.960 0.004 0.000 0.269 477 G C 0.224 175.147 174.900 0.038 0.000 0.912 477 G CA 0.029 45.149 45.100 0.034 0.000 1.057 477 G HN 0.531 nan 8.290 nan 0.000 0.364 478 K N 2.900 123.327 120.400 0.044 0.000 2.336 478 K HA 0.212 4.534 4.320 0.004 0.000 0.262 478 K C -1.850 174.794 176.600 0.072 0.000 0.992 478 K CA -1.829 54.483 56.287 0.041 0.000 0.927 478 K CB 0.070 32.598 32.500 0.046 0.000 0.956 478 K HN 0.224 nan 8.250 nan 0.000 0.495 479 P HA -0.043 nan 4.420 nan 0.000 0.260 479 P C -1.002 176.480 177.300 0.304 0.000 1.172 479 P CA 0.425 63.594 63.100 0.116 0.000 0.760 479 P CB 0.421 32.059 31.700 -0.103 0.000 0.773 480 Q N 0.965 120.919 119.800 0.257 0.000 2.377 480 Q HA 0.547 4.889 4.340 0.004 0.000 0.271 480 Q C -0.956 175.104 176.000 0.100 0.000 1.077 480 Q CA -1.200 54.732 55.803 0.214 0.000 0.820 480 Q CB 2.779 31.644 28.738 0.212 0.000 1.347 480 Q HN 0.251 nan 8.270 nan 0.000 0.444 481 V N 1.167 121.007 119.914 -0.123 0.000 2.406 481 V HA 0.572 4.695 4.120 0.004 0.000 0.272 481 V C -0.175 175.589 176.094 -0.551 0.000 1.043 481 V CA -0.328 61.724 62.300 -0.414 0.000 0.915 481 V CB 0.661 32.033 31.823 -0.752 0.000 0.988 481 V HN 0.889 nan 8.190 nan 0.000 0.466 482 A N 7.089 129.721 122.820 -0.313 0.000 2.752 482 A HA 0.277 4.599 4.320 0.004 0.000 0.292 482 A C -0.205 177.228 177.584 -0.251 0.000 1.597 482 A CA 0.159 52.100 52.037 -0.160 0.000 1.241 482 A CB -1.059 17.945 19.000 0.006 0.000 1.061 482 A HN 0.861 nan 8.150 nan 0.000 0.576 483 Y N 1.420 121.433 120.300 -0.478 0.000 2.289 483 Y HA 0.571 5.123 4.550 0.004 0.000 0.332 483 Y C 1.106 176.936 175.900 -0.118 0.000 1.324 483 Y CA -0.017 57.832 58.100 -0.419 0.000 1.478 483 Y CB 0.646 38.550 38.460 -0.927 0.000 1.378 483 Y HN 0.549 nan 8.280 nan 0.000 0.558 484 R N 0.253 120.861 120.500 0.180 0.000 2.764 484 R HA 0.471 4.814 4.340 0.004 0.000 0.270 484 R C -1.370 174.988 176.300 0.097 0.000 1.014 484 R CA -1.123 55.032 56.100 0.092 0.000 0.904 484 R CB 1.909 32.127 30.300 -0.137 0.000 1.236 484 R HN 0.746 nan 8.270 nan 0.000 0.466 485 E N 0.080 120.325 120.200 0.075 0.000 2.393 485 E HA 0.710 5.062 4.350 0.004 0.000 0.273 485 E C -0.842 175.782 176.600 0.040 0.000 0.918 485 E CA -0.753 55.683 56.400 0.061 0.000 0.773 485 E CB 2.796 32.544 29.700 0.080 0.000 1.275 485 E HN 0.509 nan 8.360 nan 0.000 0.451 486 T N 0.158 114.734 114.554 0.037 0.000 2.661 486 T HA 0.456 4.808 4.350 0.004 0.000 0.305 486 T C -0.930 173.790 174.700 0.033 0.000 1.441 486 T CA -0.814 61.308 62.100 0.036 0.000 0.999 486 T CB 0.743 69.630 68.868 0.032 0.000 1.650 486 T HN 0.556 nan 8.240 nan 0.000 0.489 487 I N -1.289 119.301 120.570 0.033 0.000 3.023 487 I HA 0.805 4.977 4.170 0.004 0.000 0.312 487 I C 0.817 176.948 176.117 0.023 0.000 1.056 487 I CA -0.932 60.385 61.300 0.027 0.000 1.033 487 I CB 2.248 40.266 38.000 0.030 0.000 1.233 487 I HN 0.820 nan 8.210 nan 0.000 0.462 488 T N -2.031 112.533 114.554 0.017 0.000 2.969 488 T HA 0.248 4.601 4.350 0.004 0.000 0.258 488 T C 0.351 175.057 174.700 0.009 0.000 0.962 488 T CA -0.115 61.993 62.100 0.014 0.000 0.903 488 T CB 0.075 68.951 68.868 0.013 0.000 1.177 488 T HN 0.691 nan 8.240 nan 0.000 0.511 489 K N 3.029 123.434 120.400 0.009 0.000 2.376 489 K HA 0.476 4.798 4.320 0.004 0.000 0.257 489 K C -3.074 173.527 176.600 0.003 0.000 0.939 489 K CA -2.504 53.785 56.287 0.004 0.000 0.809 489 K CB 2.046 34.548 32.500 0.004 0.000 1.121 489 K HN -0.031 nan 8.250 nan 0.000 0.425 490 P HA 0.007 nan 4.420 nan 0.000 0.271 490 P C -0.274 177.020 177.300 -0.010 0.000 1.220 490 P CA -0.351 62.743 63.100 -0.010 0.000 0.768 490 P CB 1.076 32.762 31.700 -0.024 0.000 0.848 491 V N -0.219 119.694 119.914 -0.002 0.000 3.096 491 V HA 0.689 4.811 4.120 0.004 0.000 0.319 491 V C -0.268 175.827 176.094 0.001 0.000 1.103 491 V CA -0.783 61.520 62.300 0.004 0.000 1.016 491 V CB 2.136 33.971 31.823 0.020 0.000 1.090 491 V HN 0.491 nan 8.190 nan 0.000 0.449 492 D N 1.116 121.525 120.400 0.015 0.000 2.346 492 D HA 0.491 5.134 4.640 0.004 0.000 0.255 492 D C -0.351 176.003 176.300 0.089 0.000 1.276 492 D CA -0.114 53.906 54.000 0.032 0.000 0.941 492 D CB 1.365 42.149 40.800 -0.027 0.000 1.199 492 D HN 0.772 nan 8.370 nan 0.000 0.537 493 V N 1.054 121.032 119.914 0.107 0.000 3.547 493 V HA 0.794 4.917 4.120 0.004 0.000 0.289 493 V C -0.174 175.984 176.094 0.106 0.000 1.226 493 V CA -0.655 61.703 62.300 0.096 0.000 0.966 493 V CB 1.394 33.259 31.823 0.071 0.000 1.255 493 V HN 0.536 nan 8.190 nan 0.000 0.466 494 E N -0.337 119.910 120.200 0.077 0.000 2.343 494 E HA 0.556 4.908 4.350 0.004 0.000 0.286 494 E C -0.670 175.966 176.600 0.060 0.000 0.915 494 E CA -0.401 56.036 56.400 0.062 0.000 0.784 494 E CB 1.399 31.164 29.700 0.107 0.000 1.251 494 E HN 1.198 nan 8.360 nan 0.000 0.407 495 G N 2.862 111.681 108.800 0.031 0.000 2.389 495 G HA2 0.563 4.525 3.960 0.004 0.000 0.317 495 G HA3 0.563 4.525 3.960 0.004 0.000 0.317 495 G C -1.073 173.859 174.900 0.052 0.000 1.137 495 G CA -0.521 44.598 45.100 0.031 0.000 0.870 495 G HN 0.425 nan 8.290 nan 0.000 0.496 496 K N 0.521 120.938 120.400 0.028 0.000 2.571 496 K HA 0.472 4.795 4.320 0.004 0.000 0.252 496 K C -2.227 174.358 176.600 -0.024 0.000 0.956 496 K CA -0.687 55.582 56.287 -0.030 0.000 0.822 496 K CB 1.605 34.076 32.500 -0.050 0.000 1.286 496 K HN 0.353 nan 8.250 nan 0.000 0.439 497 F N 6.231 125.995 119.950 -0.310 0.000 2.507 497 F HA 0.613 5.142 4.527 0.004 0.000 0.328 497 F C -1.460 174.169 175.800 -0.285 0.000 1.136 497 F CA -0.882 56.970 58.000 -0.246 0.000 0.930 497 F CB 0.931 39.805 39.000 -0.211 0.000 1.166 497 F HN 0.283 nan 8.300 nan 0.000 0.436 498 I N 6.457 126.587 120.570 -0.734 0.000 2.478 498 I HA 0.533 4.706 4.170 0.004 0.000 0.287 498 I C -0.522 175.232 176.117 -0.604 0.000 1.042 498 I CA -0.505 60.498 61.300 -0.495 0.000 1.067 498 I CB 1.719 39.546 38.000 -0.288 0.000 1.233 498 I HN 0.727 nan 8.210 nan 0.000 0.431 499 R N 3.734 123.981 120.500 -0.421 0.000 2.733 499 R HA 0.492 4.834 4.340 0.004 0.000 0.272 499 R C -1.051 175.182 176.300 -0.112 0.000 1.029 499 R CA -0.448 55.463 56.100 -0.315 0.000 0.888 499 R CB 1.599 31.644 30.300 -0.424 0.000 1.251 499 R HN 0.600 nan 8.270 nan 0.000 0.464 500 Q N 0.214 119.973 119.800 -0.067 0.000 2.215 500 Q HA 0.193 4.536 4.340 0.004 0.000 0.337 500 Q C -0.370 175.632 176.000 0.004 0.000 0.887 500 Q CA -0.512 55.281 55.803 -0.017 0.000 1.134 500 Q CB 1.168 29.891 28.738 -0.025 0.000 1.303 500 Q HN 0.636 nan 8.270 nan 0.000 0.421 501 T N -1.406 113.162 114.554 0.023 0.000 2.649 501 T HA 0.080 4.432 4.350 0.004 0.000 0.337 501 T C 1.551 176.276 174.700 0.042 0.000 1.070 501 T CA 0.858 62.985 62.100 0.044 0.000 1.052 501 T CB 0.908 69.829 68.868 0.089 0.000 0.994 501 T HN 0.427 nan 8.240 nan 0.000 0.544 502 G N 0.511 109.334 108.800 0.039 0.000 2.442 502 G HA2 0.079 4.042 3.960 0.004 0.000 0.219 502 G HA3 0.079 4.042 3.960 0.004 0.000 0.219 502 G C 0.978 175.904 174.900 0.042 0.000 1.141 502 G CA 0.448 45.569 45.100 0.034 0.000 0.763 502 G HN 1.179 nan 8.290 nan 0.000 0.554 503 G N 1.199 110.032 108.800 0.054 0.000 2.690 503 G HA2 0.399 4.362 3.960 0.004 0.000 0.294 503 G HA3 0.399 4.362 3.960 0.004 0.000 0.294 503 G C 0.833 175.777 174.900 0.074 0.000 0.793 503 G CA 0.214 45.352 45.100 0.064 0.000 1.818 503 G HN 0.617 nan 8.290 nan 0.000 0.515 504 R N 1.154 121.691 120.500 0.063 0.000 3.420 504 R HA -0.236 4.106 4.340 0.004 0.000 0.609 504 R C 0.978 177.321 176.300 0.072 0.000 0.241 504 R CA 1.376 57.515 56.100 0.066 0.000 1.874 504 R CB -1.607 28.737 30.300 0.074 0.000 0.810 504 R HN 1.142 nan 8.270 nan 0.000 0.638 505 G N -0.629 108.228 108.800 0.095 0.000 2.609 505 G HA2 0.570 4.532 3.960 0.004 0.000 0.308 505 G HA3 0.570 4.532 3.960 0.004 0.000 0.308 505 G C -1.245 173.746 174.900 0.152 0.000 1.369 505 G CA -0.708 44.453 45.100 0.102 0.000 0.958 505 G HN 0.230 nan 8.290 nan 0.000 0.499 506 Q N 0.812 120.707 119.800 0.158 0.000 2.274 506 Q HA 0.443 4.785 4.340 0.004 0.000 0.260 506 Q C -1.734 174.420 176.000 0.257 0.000 0.974 506 Q CA -0.781 55.172 55.803 0.250 0.000 0.876 506 Q CB 2.830 31.818 28.738 0.418 0.000 1.297 506 Q HN 0.652 nan 8.270 nan 0.000 0.446 507 Y N -0.298 120.079 120.300 0.129 0.000 2.323 507 Y HA 0.539 5.091 4.550 0.004 0.000 0.322 507 Y C -1.055 174.786 175.900 -0.099 0.000 1.133 507 Y CA -0.515 57.607 58.100 0.038 0.000 1.093 507 Y CB 1.526 40.017 38.460 0.050 0.000 1.203 507 Y HN 0.647 nan 8.280 nan 0.000 0.427 508 G N 3.272 111.707 108.800 -0.609 0.000 2.638 508 G HA2 0.523 4.486 3.960 0.004 0.000 0.302 508 G HA3 0.523 4.486 3.960 0.004 0.000 0.302 508 G C -2.488 171.911 174.900 -0.836 0.000 1.365 508 G CA -0.845 43.628 45.100 -1.044 0.000 0.987 508 G HN 0.783 nan 8.290 nan 0.000 0.495 509 H N 0.273 118.828 119.070 -0.858 0.000 3.287 509 H HA 0.497 5.055 4.556 0.004 0.000 0.330 509 H C -1.036 174.233 175.328 -0.099 0.000 1.064 509 H CA -0.526 55.297 56.048 -0.375 0.000 1.544 509 H CB 1.208 30.802 29.762 -0.279 0.000 1.918 509 H HN 0.752 nan 8.280 nan 0.000 0.477 510 V N 1.968 121.668 119.914 -0.357 0.000 2.769 510 V HA 0.720 4.843 4.120 0.004 0.000 0.312 510 V C -0.705 175.189 176.094 -0.333 0.000 1.061 510 V CA -0.948 61.199 62.300 -0.255 0.000 0.931 510 V CB 2.182 34.003 31.823 -0.003 0.000 1.010 510 V HN 0.674 nan 8.190 nan 0.000 0.433 511 K N 4.617 124.818 120.400 -0.330 0.000 2.463 511 K HA 0.781 5.103 4.320 0.004 0.000 0.255 511 K C -0.903 175.596 176.600 -0.168 0.000 0.942 511 K CA -0.465 55.648 56.287 -0.290 0.000 0.814 511 K CB 2.103 34.270 32.500 -0.555 0.000 1.122 511 K HN 0.931 nan 8.250 nan 0.000 0.425 512 I N -1.529 119.146 120.570 0.175 0.000 3.074 512 I HA 0.546 4.719 4.170 0.004 0.000 0.310 512 I C -1.349 174.941 176.117 0.289 0.000 1.153 512 I CA -1.194 60.286 61.300 0.300 0.000 0.993 512 I CB 2.298 40.384 38.000 0.142 0.000 1.237 512 I HN 0.313 nan 8.210 nan 0.000 0.443 513 K N 3.193 123.675 120.400 0.137 0.000 2.425 513 K HA 0.623 4.945 4.320 0.004 0.000 0.259 513 K C -1.176 175.414 176.600 -0.017 0.000 0.978 513 K CA -0.633 55.645 56.287 -0.016 0.000 0.883 513 K CB 2.370 34.761 32.500 -0.181 0.000 1.110 513 K HN 0.448 nan 8.250 nan 0.000 0.436 514 V N 2.445 122.364 119.914 0.007 0.000 2.612 514 V HA 0.447 4.570 4.120 0.004 0.000 0.301 514 V C -0.107 175.984 176.094 -0.004 0.000 1.046 514 V CA -0.641 61.668 62.300 0.015 0.000 0.946 514 V CB 1.403 33.256 31.823 0.050 0.000 1.003 514 V HN 0.901 nan 8.190 nan 0.000 0.459 515 E N 3.993 124.190 120.200 -0.005 0.000 2.390 515 E HA 0.519 4.872 4.350 0.004 0.000 0.280 515 E C -3.204 173.397 176.600 0.002 0.000 0.992 515 E CA -2.020 54.374 56.400 -0.011 0.000 0.790 515 E CB 2.845 32.525 29.700 -0.033 0.000 1.248 515 E HN 0.433 nan 8.360 nan 0.000 0.447 516 P HA 0.209 nan 4.420 nan 0.000 0.279 516 P C -0.578 176.727 177.300 0.008 0.000 1.239 516 P CA -0.302 62.807 63.100 0.014 0.000 0.789 516 P CB 0.982 32.691 31.700 0.014 0.000 0.933 517 L N 4.151 125.385 121.223 0.017 0.000 2.333 517 L HA 0.477 4.819 4.340 0.004 0.000 0.269 517 L C -2.126 174.756 176.870 0.020 0.000 1.010 517 L CA -2.646 52.202 54.840 0.013 0.000 0.818 517 L CB 1.753 43.824 42.059 0.019 0.000 1.306 517 L HN 0.160 nan 8.230 nan 0.000 0.430 518 P HA -0.042 nan 4.420 nan 0.000 0.266 518 P C -0.679 176.639 177.300 0.030 0.000 1.186 518 P CA -0.196 62.917 63.100 0.022 0.000 0.767 518 P CB 0.363 32.074 31.700 0.018 0.000 0.820 519 R N 2.499 123.022 120.500 0.037 0.000 2.502 519 R HA 0.291 4.634 4.340 0.004 0.000 0.292 519 R C 1.293 177.623 176.300 0.052 0.000 0.998 519 R CA 1.596 57.725 56.100 0.048 0.000 1.056 519 R CB -1.167 29.173 30.300 0.066 0.000 0.939 519 R HN 0.768 nan 8.270 nan 0.000 0.411 520 G N 2.158 110.985 108.800 0.045 0.000 2.157 520 G HA2 -0.295 3.667 3.960 0.004 0.000 0.248 520 G HA3 -0.295 3.667 3.960 0.004 0.000 0.248 520 G C 0.853 175.778 174.900 0.042 0.000 0.979 520 G CA 0.458 45.585 45.100 0.046 0.000 0.650 520 G HN 0.591 nan 8.290 nan 0.000 0.529 521 S N -0.075 115.649 115.700 0.040 0.000 2.481 521 S HA 0.357 4.829 4.470 0.004 0.000 0.231 521 S C 2.210 176.843 174.600 0.055 0.000 0.996 521 S CA 1.805 60.029 58.200 0.040 0.000 0.942 521 S CB -0.231 62.988 63.200 0.032 0.000 0.768 521 S HN 2.274 nan 8.310 nan 0.000 0.520 522 G N 0.952 109.792 108.800 0.067 0.000 2.596 522 G HA2 -0.227 3.735 3.960 0.004 0.000 0.258 522 G HA3 -0.227 3.735 3.960 0.004 0.000 0.258 522 G C -0.488 174.531 174.900 0.198 0.000 1.207 522 G CA 0.025 45.188 45.100 0.105 0.000 0.954 522 G HN 0.498 nan 8.290 nan 0.000 0.551 523 F N 1.847 121.811 119.950 0.022 0.000 2.601 523 F HA 0.764 5.293 4.527 0.004 0.000 0.309 523 F C -0.771 175.060 175.800 0.052 0.000 1.089 523 F CA -0.285 57.738 58.000 0.039 0.000 0.940 523 F CB 2.299 41.325 39.000 0.044 0.000 1.273 523 F HN 0.763 nan 8.300 nan 0.000 0.450 524 E N 5.321 125.108 120.200 -0.687 0.000 2.287 524 E HA 0.323 4.675 4.350 0.004 0.000 0.274 524 E C -2.267 173.887 176.600 -0.742 0.000 0.896 524 E CA -0.603 55.479 56.400 -0.530 0.000 0.788 524 E CB 1.576 31.132 29.700 -0.240 0.000 1.244 524 E HN 0.541 nan 8.360 nan 0.000 0.408 525 F N 4.980 124.537 119.950 -0.654 0.000 2.458 525 F HA 0.572 5.101 4.527 0.004 0.000 0.336 525 F C -1.494 174.202 175.800 -0.173 0.000 1.114 525 F CA -0.500 57.264 58.000 -0.392 0.000 0.987 525 F CB 1.251 40.138 39.000 -0.189 0.000 1.130 525 F HN 0.196 nan 8.300 nan 0.000 0.458 526 V N 5.471 124.947 119.914 -0.729 0.000 2.531 526 V HA 0.302 4.424 4.120 0.004 0.000 0.301 526 V C -0.804 174.963 176.094 -0.546 0.000 1.034 526 V CA -0.954 61.101 62.300 -0.408 0.000 0.865 526 V CB 1.675 33.335 31.823 -0.272 0.000 0.995 526 V HN 0.730 nan 8.190 nan 0.000 0.424 527 N N 3.512 122.125 118.700 -0.146 0.000 2.426 527 N HA 0.543 5.286 4.740 0.004 0.000 0.257 527 N C 0.194 175.696 175.510 -0.012 0.000 1.002 527 N CA -0.039 53.010 53.050 -0.002 0.000 0.942 527 N CB 1.865 40.474 38.487 0.203 0.000 1.112 527 N HN 0.795 nan 8.380 nan 0.000 0.499 528 A N 4.675 127.490 122.820 -0.008 0.000 2.564 528 A HA 0.279 4.601 4.320 0.004 0.000 0.279 528 A C 0.268 177.883 177.584 0.051 0.000 1.232 528 A CA -0.388 51.664 52.037 0.025 0.000 0.950 528 A CB -0.083 18.941 19.000 0.039 0.000 1.138 528 A HN 0.580 nan 8.150 nan 0.000 0.526 529 I N 2.005 122.602 120.570 0.046 0.000 2.618 529 I HA 0.122 4.295 4.170 0.004 0.000 0.284 529 I C 0.685 176.827 176.117 0.042 0.000 1.146 529 I CA 0.510 61.836 61.300 0.044 0.000 1.425 529 I CB 0.615 38.644 38.000 0.048 0.000 1.383 529 I HN 0.231 nan 8.210 nan 0.000 0.562 530 V N 2.768 122.709 119.914 0.045 0.000 3.234 530 V HA 0.834 4.956 4.120 0.004 0.000 0.317 530 V C 1.040 177.161 176.094 0.046 0.000 1.147 530 V CA -0.457 61.868 62.300 0.041 0.000 1.037 530 V CB 0.965 32.814 31.823 0.043 0.000 1.148 530 V HN 0.976 nan 8.190 nan 0.000 0.455 531 G N 0.381 109.206 108.800 0.042 0.000 2.471 531 G HA2 0.030 3.993 3.960 0.004 0.000 0.301 531 G HA3 0.030 3.993 3.960 0.004 0.000 0.301 531 G C 1.208 176.145 174.900 0.061 0.000 0.902 531 G CA 0.814 45.943 45.100 0.048 0.000 1.002 531 G HN 2.743 nan 8.290 nan 0.000 0.509 532 G N -2.221 106.604 108.800 0.042 0.000 2.412 532 G HA2 -0.128 3.834 3.960 0.004 0.000 0.297 532 G HA3 -0.128 3.834 3.960 0.004 0.000 0.297 532 G C 1.173 176.132 174.900 0.098 0.000 0.965 532 G CA 0.563 45.683 45.100 0.033 0.000 1.134 532 G HN 1.339 nan 8.290 nan 0.000 0.511 533 V N -0.451 119.536 119.914 0.123 0.000 2.515 533 V HA 0.061 4.183 4.120 0.004 0.000 0.250 533 V C 1.649 177.919 176.094 0.293 0.000 1.058 533 V CA 1.569 63.995 62.300 0.210 0.000 1.064 533 V CB -0.128 31.780 31.823 0.142 0.000 0.675 533 V HN 0.586 nan 8.190 nan 0.000 0.461 534 I N 0.841 121.501 120.570 0.149 0.000 2.418 534 I HA 0.348 4.520 4.170 0.004 0.000 0.287 534 I C -2.588 173.464 176.117 -0.108 0.000 1.008 534 I CA -2.183 59.179 61.300 0.103 0.000 1.104 534 I CB 2.139 40.210 38.000 0.118 0.000 1.264 534 I HN 0.039 nan 8.210 nan 0.000 0.438 535 P HA -0.018 nan 4.420 nan 0.000 0.258 535 P C 0.306 177.391 177.300 -0.358 0.000 1.172 535 P CA 0.172 63.041 63.100 -0.384 0.000 0.762 535 P CB 0.341 31.773 31.700 -0.446 0.000 0.764 536 K N 2.538 122.777 120.400 -0.269 0.000 2.304 536 K HA -0.248 4.075 4.320 0.004 0.000 0.204 536 K C 1.032 177.453 176.600 -0.298 0.000 1.044 536 K CA 1.739 57.893 56.287 -0.221 0.000 0.932 536 K CB -0.139 32.269 32.500 -0.154 0.000 0.735 536 K HN 0.593 nan 8.250 nan 0.000 0.468 537 E N -0.861 119.039 120.200 -0.500 0.000 2.482 537 E HA -0.113 4.239 4.350 0.004 0.000 0.196 537 E C 0.780 177.000 176.600 -0.633 0.000 1.047 537 E CA 0.686 56.742 56.400 -0.574 0.000 0.869 537 E CB 0.049 29.308 29.700 -0.735 0.000 0.836 537 E HN 0.373 nan 8.360 nan 0.000 0.520 538 Y N -0.268 119.854 120.300 -0.297 0.000 2.507 538 Y HA 0.128 4.680 4.550 0.004 0.000 0.263 538 Y C 1.788 177.529 175.900 -0.264 0.000 1.093 538 Y CA -0.633 57.230 58.100 -0.394 0.000 1.285 538 Y CB 0.098 37.986 38.460 -0.953 0.000 1.115 538 Y HN 0.005 nan 8.280 nan 0.000 0.533 539 I N 1.238 121.754 120.570 -0.091 0.000 2.113 539 I HA -0.226 3.947 4.170 0.004 0.000 0.242 539 I C -0.463 175.620 176.117 -0.058 0.000 1.064 539 I CA 1.542 62.825 61.300 -0.028 0.000 1.320 539 I CB -2.407 35.584 38.000 -0.015 0.000 1.028 539 I HN 0.077 nan 8.210 nan 0.000 0.406 540 P HA -0.124 nan 4.420 nan 0.000 0.218 540 P C 1.574 178.841 177.300 -0.055 0.000 1.146 540 P CA 1.976 65.022 63.100 -0.089 0.000 0.813 540 P CB 0.045 31.701 31.700 -0.075 0.000 0.778 541 A N -0.674 122.147 122.820 0.002 0.000 1.935 541 A HA -0.075 4.247 4.320 0.004 0.000 0.214 541 A C 2.234 179.856 177.584 0.063 0.000 1.178 541 A CA 1.368 53.434 52.037 0.048 0.000 0.640 541 A CB -1.608 17.468 19.000 0.126 0.000 0.825 541 A HN 0.187 nan 8.150 nan 0.000 0.447 542 V N -0.437 119.535 119.914 0.097 0.000 2.626 542 V HA -0.257 3.866 4.120 0.004 0.000 0.252 542 V C 1.985 178.105 176.094 0.045 0.000 1.067 542 V CA 2.491 64.873 62.300 0.136 0.000 1.081 542 V CB -0.751 31.217 31.823 0.242 0.000 0.686 542 V HN 0.651 nan 8.190 nan 0.000 0.468 543 Q N 0.227 119.971 119.800 -0.094 0.000 2.083 543 Q HA -0.177 4.165 4.340 0.004 0.000 0.198 543 Q C 2.357 178.296 176.000 -0.101 0.000 0.969 543 Q CA 1.823 57.490 55.803 -0.226 0.000 0.838 543 Q CB -0.257 28.204 28.738 -0.461 0.000 0.900 543 Q HN 0.698 nan 8.270 nan 0.000 0.436 544 K N 0.397 120.753 120.400 -0.073 0.000 2.147 544 K HA -0.126 4.196 4.320 0.004 0.000 0.205 544 K C 1.960 178.538 176.600 -0.037 0.000 1.049 544 K CA 1.219 57.474 56.287 -0.053 0.000 0.936 544 K CB -0.182 32.295 32.500 -0.040 0.000 0.722 544 K HN 0.250 nan 8.250 nan 0.000 0.446 545 G N 1.292 110.084 108.800 -0.014 0.000 2.404 545 G HA2 -0.200 3.762 3.960 0.004 0.000 0.215 545 G HA3 -0.200 3.762 3.960 0.004 0.000 0.215 545 G C 1.484 176.386 174.900 0.003 0.000 1.174 545 G CA 0.675 45.770 45.100 -0.008 0.000 0.780 545 G HN 0.220 nan 8.290 nan 0.000 0.537 546 I N 0.312 120.904 120.570 0.037 0.000 2.163 546 I HA -0.181 3.992 4.170 0.004 0.000 0.243 546 I C 2.801 178.916 176.117 -0.004 0.000 1.085 546 I CA 1.240 62.583 61.300 0.073 0.000 1.347 546 I CB -0.189 37.926 38.000 0.191 0.000 1.044 546 I HN 0.206 nan 8.210 nan 0.000 0.408 547 E N 0.680 120.849 120.200 -0.053 0.000 2.070 547 E HA -0.287 4.066 4.350 0.004 0.000 0.197 547 E C 2.087 178.620 176.600 -0.110 0.000 1.004 547 E CA 1.806 58.126 56.400 -0.134 0.000 0.805 547 E CB -0.075 29.558 29.700 -0.111 0.000 0.744 547 E HN 0.561 nan 8.360 nan 0.000 0.451 548 E N -0.176 119.982 120.200 -0.071 0.000 2.106 548 E HA -0.134 4.218 4.350 0.004 0.000 0.192 548 E C 2.014 178.582 176.600 -0.053 0.000 0.984 548 E CA 0.727 57.090 56.400 -0.061 0.000 0.806 548 E CB -0.078 29.593 29.700 -0.049 0.000 0.750 548 E HN 0.213 nan 8.360 nan 0.000 0.458 549 A N 1.336 124.133 122.820 -0.039 0.000 1.902 549 A HA -0.179 4.144 4.320 0.004 0.000 0.217 549 A C 2.146 179.711 177.584 -0.032 0.000 1.181 549 A CA 1.279 53.300 52.037 -0.025 0.000 0.623 549 A CB -0.490 18.509 19.000 -0.002 0.000 0.818 549 A HN 0.151 nan 8.150 nan 0.000 0.443 550 M N -0.679 118.891 119.600 -0.051 0.000 2.435 550 M HA -0.207 4.275 4.480 0.004 0.000 0.262 550 M C 1.913 178.176 176.300 -0.062 0.000 1.065 550 M CA 1.175 56.437 55.300 -0.064 0.000 1.076 550 M CB -0.379 32.140 32.600 -0.135 0.000 1.403 550 M HN 0.507 nan 8.290 nan 0.000 0.454 551 Q N -0.510 119.251 119.800 -0.066 0.000 2.488 551 Q HA 0.010 4.353 4.340 0.004 0.000 0.211 551 Q C -0.195 175.772 176.000 -0.055 0.000 0.967 551 Q CA 0.423 56.190 55.803 -0.060 0.000 0.926 551 Q CB 0.301 29.000 28.738 -0.065 0.000 0.992 551 Q HN 0.262 nan 8.270 nan 0.000 0.506 552 S N 0.323 115.995 115.700 -0.047 0.000 2.356 552 S HA 0.295 4.767 4.470 0.004 0.000 0.171 552 S C -0.156 174.431 174.600 -0.020 0.000 1.399 552 S CA -0.763 57.404 58.200 -0.055 0.000 1.225 552 S CB 1.201 64.354 63.200 -0.078 0.000 1.271 552 S HN 0.381 nan 8.310 nan 0.000 0.427 553 G N 2.425 111.234 108.800 0.015 0.000 2.562 553 G HA2 0.278 4.240 3.960 0.004 0.000 0.233 553 G HA3 0.278 4.240 3.960 0.004 0.000 0.233 553 G C -2.117 172.800 174.900 0.029 0.000 1.266 553 G CA -0.948 44.172 45.100 0.034 0.000 0.852 553 G HN 0.305 nan 8.290 nan 0.000 0.581 554 P HA 0.081 nan 4.420 nan 0.000 0.247 554 P C 1.417 178.732 177.300 0.025 0.000 1.225 554 P CA 0.184 63.295 63.100 0.020 0.000 0.768 554 P CB 0.199 31.909 31.700 0.017 0.000 1.020 555 L N -0.607 120.639 121.223 0.039 0.000 2.115 555 L HA 0.099 4.441 4.340 0.004 0.000 0.200 555 L C 1.827 178.726 176.870 0.048 0.000 1.094 555 L CA 1.291 56.151 54.840 0.034 0.000 0.769 555 L CB -0.208 41.867 42.059 0.027 0.000 0.931 555 L HN -0.065 nan 8.230 nan 0.000 0.455 556 I N -4.445 116.190 120.570 0.109 0.000 4.225 556 I HA 0.467 4.639 4.170 0.004 0.000 0.327 556 I C 0.700 176.918 176.117 0.167 0.000 1.422 556 I CA 0.067 61.471 61.300 0.174 0.000 1.150 556 I CB 0.686 38.826 38.000 0.234 0.000 1.192 556 I HN 0.244 nan 8.210 nan 0.000 0.440 557 G N 1.893 110.737 108.800 0.073 0.000 2.326 557 G HA2 -0.254 3.709 3.960 0.004 0.000 0.286 557 G HA3 -0.254 3.709 3.960 0.004 0.000 0.286 557 G C -0.567 174.137 174.900 -0.328 0.000 1.096 557 G CA -0.031 45.008 45.100 -0.102 0.000 1.003 557 G HN 0.380 nan 8.290 nan 0.000 0.503 558 F N -0.804 119.165 119.950 0.032 0.000 2.598 558 F HA 0.621 5.150 4.527 0.004 0.000 0.327 558 F C -1.935 173.875 175.800 0.017 0.000 1.057 558 F CA -2.635 55.392 58.000 0.046 0.000 0.957 558 F CB 1.821 40.883 39.000 0.104 0.000 1.278 558 F HN -0.130 nan 8.300 nan 0.000 0.484 559 P HA -0.043 nan 4.420 nan 0.000 0.261 559 P C -0.921 176.412 177.300 0.054 0.000 1.165 559 P CA 0.277 63.417 63.100 0.066 0.000 0.759 559 P CB 0.223 31.952 31.700 0.048 0.000 0.772 560 V N 5.068 124.990 119.914 0.014 0.000 2.465 560 V HA 0.413 4.536 4.120 0.004 0.000 0.279 560 V C 0.782 176.875 176.094 -0.002 0.000 1.045 560 V CA -0.075 62.235 62.300 0.018 0.000 0.938 560 V CB 1.240 33.075 31.823 0.020 0.000 0.986 560 V HN 0.443 nan 8.190 nan 0.000 0.467 561 V N 0.491 120.412 119.914 0.012 0.000 3.156 561 V HA 0.680 4.802 4.120 0.004 0.000 0.310 561 V C -0.431 175.694 176.094 0.052 0.000 1.234 561 V CA -1.076 61.233 62.300 0.015 0.000 1.065 561 V CB 1.964 33.761 31.823 -0.044 0.000 1.088 561 V HN 0.730 nan 8.190 nan 0.000 0.451 562 D N 0.901 121.341 120.400 0.067 0.000 2.697 562 D HA -0.168 4.475 4.640 0.004 0.000 0.235 562 D C -0.250 176.100 176.300 0.083 0.000 1.167 562 D CA 1.752 55.794 54.000 0.070 0.000 0.656 562 D CB -1.118 39.705 40.800 0.039 0.000 1.025 562 D HN 1.033 nan 8.370 nan 0.000 0.419 563 I N -3.498 117.154 120.570 0.137 0.000 2.969 563 I HA 0.598 4.771 4.170 0.004 0.000 0.307 563 I C -0.485 175.684 176.117 0.086 0.000 1.149 563 I CA -1.272 60.099 61.300 0.117 0.000 1.008 563 I CB 2.656 40.743 38.000 0.146 0.000 1.232 563 I HN -0.135 nan 8.210 nan 0.000 0.435 564 K N 4.415 124.813 120.400 -0.003 0.000 2.502 564 K HA 0.658 4.980 4.320 0.004 0.000 0.254 564 K C -1.603 174.928 176.600 -0.115 0.000 0.947 564 K CA -0.684 55.530 56.287 -0.123 0.000 0.834 564 K CB 2.239 34.671 32.500 -0.115 0.000 1.112 564 K HN 0.729 nan 8.250 nan 0.000 0.427 565 V N 2.089 121.895 119.914 -0.179 0.000 2.483 565 V HA 0.599 4.721 4.120 0.004 0.000 0.295 565 V C -1.114 174.760 176.094 -0.367 0.000 1.035 565 V CA 0.063 62.282 62.300 -0.135 0.000 0.896 565 V CB 1.685 33.552 31.823 0.073 0.000 0.986 565 V HN 0.841 nan 8.190 nan 0.000 0.447 566 T N 7.729 122.121 114.554 -0.271 0.000 2.786 566 T HA 0.498 4.850 4.350 0.004 0.000 0.283 566 T C -0.651 173.943 174.700 -0.176 0.000 0.992 566 T CA -0.180 61.732 62.100 -0.313 0.000 0.954 566 T CB 1.028 69.797 68.868 -0.164 0.000 0.934 566 T HN 0.853 nan 8.240 nan 0.000 0.440 567 L N 5.516 126.558 121.223 -0.300 0.000 2.290 567 L HA 0.422 4.765 4.340 0.004 0.000 0.284 567 L C 0.077 176.975 176.870 0.048 0.000 1.078 567 L CA 0.060 54.871 54.840 -0.049 0.000 0.815 567 L CB 0.188 42.275 42.059 0.047 0.000 1.162 567 L HN 0.789 nan 8.230 nan 0.000 0.435 568 Y N 1.292 121.568 120.300 -0.041 0.000 2.540 568 Y HA 0.598 5.150 4.550 0.004 0.000 0.257 568 Y C -0.363 175.541 175.900 0.007 0.000 1.090 568 Y CA -0.785 57.301 58.100 -0.024 0.000 1.242 568 Y CB 0.101 38.539 38.460 -0.036 0.000 1.325 568 Y HN 0.570 nan 8.280 nan 0.000 0.544 569 D N -0.975 119.073 120.400 -0.587 0.000 2.764 569 D HA 0.556 5.198 4.640 0.004 0.000 0.293 569 D C -0.332 175.773 176.300 -0.325 0.000 1.287 569 D CA 0.546 54.296 54.000 -0.416 0.000 0.768 569 D CB 1.423 41.904 40.800 -0.533 0.000 1.288 569 D HN 0.541 nan 8.370 nan 0.000 0.426 570 G N -0.449 108.238 108.800 -0.189 0.000 2.344 570 G HA2 0.603 4.565 3.960 0.004 0.000 0.282 570 G HA3 0.603 4.565 3.960 0.004 0.000 0.282 570 G C -1.519 173.490 174.900 0.182 0.000 1.281 570 G CA 0.203 45.153 45.100 -0.250 0.000 0.877 570 G HN 1.365 nan 8.290 nan 0.000 0.494 571 S N -1.594 114.364 115.700 0.430 0.000 2.587 571 S HA 0.834 5.306 4.470 0.004 0.000 0.269 571 S C -1.168 173.901 174.600 0.782 0.000 1.154 571 S CA -0.145 58.386 58.200 0.552 0.000 0.824 571 S CB 1.720 65.226 63.200 0.511 0.000 1.118 571 S HN 2.355 nan 8.310 nan 0.000 0.462 572 Y N -1.023 119.569 120.300 0.486 0.000 2.644 572 Y HA 0.721 5.273 4.550 0.004 0.000 0.338 572 Y C -0.933 175.015 175.900 0.079 0.000 1.119 572 Y CA -1.088 57.309 58.100 0.494 0.000 1.060 572 Y CB 0.943 39.710 38.460 0.510 0.000 1.294 572 Y HN 1.024 nan 8.280 nan 0.000 0.472 573 H N 2.781 121.790 119.070 -0.102 0.000 2.481 573 H HA 0.207 4.765 4.556 0.004 0.000 0.333 573 H C 0.612 175.998 175.328 0.096 0.000 1.066 573 H CA -0.094 55.774 56.048 -0.300 0.000 1.209 573 H CB 1.829 31.321 29.762 -0.449 0.000 1.445 573 H HN 1.039 nan 8.280 nan 0.000 0.488 574 E N 3.013 123.083 120.200 -0.216 0.000 2.169 574 E HA -0.224 4.128 4.350 0.004 0.000 0.202 574 E C 1.264 177.799 176.600 -0.109 0.000 1.016 574 E CA 2.168 58.537 56.400 -0.052 0.000 0.817 574 E CB 0.006 29.632 29.700 -0.123 0.000 0.736 574 E HN 0.400 nan 8.360 nan 0.000 0.462 575 V N -1.997 117.684 119.914 -0.389 0.000 3.539 575 V HA 0.098 4.221 4.120 0.004 0.000 0.262 575 V C 1.260 177.341 176.094 -0.021 0.000 1.381 575 V CA 0.632 62.839 62.300 -0.154 0.000 1.060 575 V CB 0.693 32.436 31.823 -0.133 0.000 0.842 575 V HN -0.107 nan 8.190 nan 0.000 0.445 576 D N 1.451 121.866 120.400 0.026 0.000 2.213 576 D HA 0.123 4.766 4.640 0.004 0.000 0.205 576 D C 1.225 177.690 176.300 0.275 0.000 0.961 576 D CA 0.789 54.955 54.000 0.276 0.000 0.853 576 D CB 0.103 41.203 40.800 0.501 0.000 0.967 576 D HN 0.485 nan 8.370 nan 0.000 0.496 577 S N 0.118 116.001 115.700 0.305 0.000 2.558 577 S HA 0.229 4.701 4.470 0.004 0.000 0.287 577 S C 0.514 175.195 174.600 0.135 0.000 1.321 577 S CA -0.068 58.314 58.200 0.304 0.000 1.048 577 S CB 0.759 64.194 63.200 0.391 0.000 0.844 577 S HN 0.323 nan 8.310 nan 0.000 0.512 578 S N 1.101 116.822 115.700 0.035 0.000 2.615 578 S HA 0.401 4.874 4.470 0.004 0.000 0.269 578 S C 0.347 174.961 174.600 0.024 0.000 1.161 578 S CA -0.863 57.369 58.200 0.054 0.000 0.817 578 S CB 1.024 64.297 63.200 0.121 0.000 1.131 578 S HN 0.607 nan 8.310 nan 0.000 0.467 579 E N 0.303 120.605 120.200 0.171 0.000 2.072 579 E HA -0.157 4.196 4.350 0.004 0.000 0.191 579 E C 1.966 178.634 176.600 0.113 0.000 0.985 579 E CA 1.763 58.285 56.400 0.204 0.000 0.801 579 E CB -0.238 29.571 29.700 0.182 0.000 0.750 579 E HN 0.753 nan 8.360 nan 0.000 0.452 580 M N -0.273 119.355 119.600 0.047 0.000 2.200 580 M HA 0.003 4.486 4.480 0.004 0.000 0.265 580 M C 2.290 178.499 176.300 -0.151 0.000 1.066 580 M CA 1.760 57.031 55.300 -0.049 0.000 1.127 580 M CB -0.101 32.460 32.600 -0.065 0.000 1.379 580 M HN -0.006 nan 8.290 nan 0.000 0.420 581 A N 0.376 123.145 122.820 -0.086 0.000 1.948 581 A HA -0.136 4.186 4.320 0.004 0.000 0.220 581 A C 1.784 179.240 177.584 -0.213 0.000 1.177 581 A CA 1.698 53.651 52.037 -0.139 0.000 0.636 581 A CB -1.273 17.784 19.000 0.095 0.000 0.815 581 A HN 0.661 nan 8.150 nan 0.000 0.449 582 F N -0.578 119.289 119.950 -0.138 0.000 2.512 582 F HA 0.063 4.592 4.527 0.004 0.000 0.296 582 F C 2.223 177.978 175.800 -0.074 0.000 1.110 582 F CA 1.375 59.320 58.000 -0.091 0.000 1.446 582 F CB 0.120 39.071 39.000 -0.080 0.000 1.092 582 F HN 0.157 nan 8.300 nan 0.000 0.554 583 K N 0.462 120.887 120.400 0.042 0.000 2.007 583 K HA -0.118 4.205 4.320 0.004 0.000 0.206 583 K C 2.042 178.591 176.600 -0.084 0.000 1.047 583 K CA 1.099 57.381 56.287 -0.008 0.000 0.937 583 K CB -0.097 32.380 32.500 -0.038 0.000 0.718 583 K HN 0.015 nan 8.250 nan 0.000 0.438 584 I N 1.928 122.367 120.570 -0.219 0.000 2.068 584 I HA -0.274 3.899 4.170 0.004 0.000 0.238 584 I C 2.553 178.583 176.117 -0.146 0.000 1.046 584 I CA 1.765 62.898 61.300 -0.279 0.000 1.306 584 I CB -1.791 35.794 38.000 -0.692 0.000 1.023 584 I HN 0.204 nan 8.210 nan 0.000 0.399 585 A N 0.678 123.413 122.820 -0.142 0.000 2.139 585 A HA -0.118 4.205 4.320 0.004 0.000 0.221 585 A C 2.440 180.017 177.584 -0.012 0.000 1.159 585 A CA 1.872 53.869 52.037 -0.066 0.000 0.662 585 A CB -1.282 17.627 19.000 -0.152 0.000 0.796 585 A HN 0.532 nan 8.150 nan 0.000 0.463 586 G N -1.140 107.668 108.800 0.014 0.000 2.425 586 G HA2 -0.053 3.910 3.960 0.004 0.000 0.213 586 G HA3 -0.053 3.910 3.960 0.004 0.000 0.213 586 G C 1.783 176.712 174.900 0.048 0.000 1.201 586 G CA 1.018 46.158 45.100 0.067 0.000 0.799 586 G HN 0.454 nan 8.290 nan 0.000 0.534 587 S N 0.588 116.297 115.700 0.015 0.000 2.380 587 S HA -0.241 4.231 4.470 0.004 0.000 0.229 587 S C 2.462 177.073 174.600 0.017 0.000 1.050 587 S CA 1.976 60.180 58.200 0.006 0.000 1.100 587 S CB -0.372 62.814 63.200 -0.024 0.000 0.984 587 S HN 0.361 nan 8.310 nan 0.000 0.434 588 M N 0.831 120.439 119.600 0.014 0.000 2.080 588 M HA -0.169 4.313 4.480 0.004 0.000 0.260 588 M C 2.508 178.829 176.300 0.036 0.000 1.068 588 M CA 1.618 56.933 55.300 0.025 0.000 1.109 588 M CB -0.671 31.948 32.600 0.032 0.000 1.342 588 M HN 0.422 nan 8.290 nan 0.000 0.405 589 A N 0.424 123.269 122.820 0.042 0.000 1.917 589 A HA -0.185 4.137 4.320 0.004 0.000 0.219 589 A C 2.140 179.762 177.584 0.062 0.000 1.182 589 A CA 1.565 53.635 52.037 0.054 0.000 0.633 589 A CB -0.901 18.135 19.000 0.061 0.000 0.819 589 A HN 0.472 nan 8.150 nan 0.000 0.448 590 I N -1.039 119.570 120.570 0.066 0.000 2.233 590 I HA -0.169 4.004 4.170 0.004 0.000 0.243 590 I C 2.162 178.310 176.117 0.051 0.000 1.093 590 I CA 1.188 62.531 61.300 0.070 0.000 1.380 590 I CB -0.353 37.696 38.000 0.082 0.000 1.067 590 I HN 0.222 nan 8.210 nan 0.000 0.413 591 K N 0.716 121.138 120.400 0.037 0.000 2.113 591 K HA -0.205 4.118 4.320 0.004 0.000 0.208 591 K C 1.864 178.482 176.600 0.031 0.000 1.047 591 K CA 1.292 57.596 56.287 0.028 0.000 0.928 591 K CB -0.385 32.127 32.500 0.020 0.000 0.716 591 K HN 0.413 nan 8.250 nan 0.000 0.446 592 E N 0.157 120.378 120.200 0.035 0.000 2.016 592 E HA -0.085 4.267 4.350 0.004 0.000 0.190 592 E C 2.035 178.658 176.600 0.038 0.000 0.985 592 E CA 0.929 57.350 56.400 0.034 0.000 0.802 592 E CB -0.118 29.605 29.700 0.037 0.000 0.762 592 E HN 0.207 nan 8.360 nan 0.000 0.448 593 A N 1.237 124.085 122.820 0.046 0.000 1.896 593 A HA -0.252 4.070 4.320 0.004 0.000 0.220 593 A C 2.564 180.173 177.584 0.042 0.000 1.206 593 A CA 2.396 54.463 52.037 0.049 0.000 0.647 593 A CB -1.091 17.946 19.000 0.062 0.000 0.828 593 A HN 0.165 nan 8.150 nan 0.000 0.455 594 V N -0.497 119.443 119.914 0.043 0.000 2.261 594 V HA -0.335 3.788 4.120 0.004 0.000 0.246 594 V C 2.615 178.727 176.094 0.030 0.000 1.047 594 V CA 2.286 64.609 62.300 0.038 0.000 1.015 594 V CB -1.115 30.732 31.823 0.039 0.000 0.642 594 V HN 0.655 nan 8.190 nan 0.000 0.446 595 Q N -0.021 119.795 119.800 0.027 0.000 2.152 595 Q HA -0.209 4.133 4.340 0.004 0.000 0.206 595 Q C 1.882 177.894 176.000 0.019 0.000 0.985 595 Q CA 1.334 57.150 55.803 0.021 0.000 0.863 595 Q CB -0.127 28.622 28.738 0.020 0.000 0.904 595 Q HN 0.578 nan 8.270 nan 0.000 0.422 596 K N -0.833 119.580 120.400 0.022 0.000 2.374 596 K HA 0.124 4.446 4.320 0.004 0.000 0.196 596 K C 0.890 177.501 176.600 0.018 0.000 1.023 596 K CA 0.418 56.716 56.287 0.020 0.000 1.103 596 K CB 0.938 33.452 32.500 0.022 0.000 0.848 596 K HN 0.077 nan 8.250 nan 0.000 0.528 597 G N 1.823 110.635 108.800 0.020 0.000 3.959 597 G HA2 0.026 3.988 3.960 0.004 0.000 0.298 597 G HA3 0.026 3.988 3.960 0.004 0.000 0.298 597 G C -0.664 174.245 174.900 0.015 0.000 1.211 597 G CA -0.400 44.710 45.100 0.017 0.000 1.001 597 G HN 0.095 nan 8.290 nan 0.000 0.561 598 D N 0.882 121.289 120.400 0.013 0.000 2.735 598 D HA -0.111 4.531 4.640 0.004 0.000 0.235 598 D C -1.967 174.340 176.300 0.011 0.000 1.175 598 D CA 0.677 54.683 54.000 0.010 0.000 0.683 598 D CB -0.527 40.277 40.800 0.008 0.000 1.008 598 D HN 0.359 nan 8.370 nan 0.000 0.416 599 P HA 0.066 nan 4.420 nan 0.000 0.268 599 P C 0.160 177.466 177.300 0.009 0.000 1.208 599 P CA -0.104 63.006 63.100 0.015 0.000 0.777 599 P CB 1.029 32.740 31.700 0.018 0.000 0.875 600 V N -0.152 119.769 119.914 0.012 0.000 3.040 600 V HA 0.609 4.732 4.120 0.004 0.000 0.312 600 V C -0.121 175.974 176.094 0.002 0.000 1.115 600 V CA -1.205 61.098 62.300 0.005 0.000 0.998 600 V CB 2.091 33.922 31.823 0.014 0.000 1.042 600 V HN 0.317 nan 8.190 nan 0.000 0.433 601 I N 2.579 123.136 120.570 -0.021 0.000 2.412 601 I HA 0.494 4.666 4.170 0.004 0.000 0.296 601 I C -0.723 175.409 176.117 0.025 0.000 0.987 601 I CA -0.547 60.729 61.300 -0.040 0.000 1.180 601 I CB 1.754 39.647 38.000 -0.178 0.000 1.340 601 I HN 0.428 nan 8.210 nan 0.000 0.455 602 L N 6.273 127.565 121.223 0.115 0.000 2.329 602 L HA 0.505 4.847 4.340 0.004 0.000 0.279 602 L C -0.086 177.023 176.870 0.399 0.000 1.014 602 L CA -0.572 54.401 54.840 0.221 0.000 0.814 602 L CB 1.665 43.854 42.059 0.217 0.000 1.257 602 L HN 0.653 nan 8.230 nan 0.000 0.424 603 E N 4.159 124.535 120.200 0.293 0.000 2.277 603 E HA 0.566 4.918 4.350 0.004 0.000 0.266 603 E C -2.867 173.577 176.600 -0.261 0.000 0.901 603 E CA -2.362 54.128 56.400 0.151 0.000 0.782 603 E CB 2.606 32.418 29.700 0.187 0.000 1.228 603 E HN 0.184 nan 8.360 nan 0.000 0.424 604 P HA 0.191 nan 4.420 nan 0.000 0.281 604 P C -0.476 176.515 177.300 -0.514 0.000 1.252 604 P CA -0.389 62.310 63.100 -0.668 0.000 0.778 604 P CB 0.616 32.071 31.700 -0.408 0.000 0.895 605 I N 4.871 125.000 120.570 -0.735 0.000 2.328 605 I HA 0.270 4.442 4.170 0.004 0.000 0.287 605 I C 0.894 176.643 176.117 -0.614 0.000 1.012 605 I CA -0.857 60.028 61.300 -0.692 0.000 1.195 605 I CB 0.492 37.808 38.000 -1.141 0.000 1.350 605 I HN 0.237 nan 8.210 nan 0.000 0.464 606 M N 5.696 125.107 119.600 -0.314 0.000 2.227 606 M HA 0.359 4.841 4.480 0.004 0.000 0.316 606 M C 0.281 176.590 176.300 0.015 0.000 1.144 606 M CA -0.336 54.871 55.300 -0.154 0.000 1.121 606 M CB 0.439 33.002 32.600 -0.061 0.000 1.440 606 M HN 0.398 nan 8.290 nan 0.000 0.473 607 R N 0.758 121.316 120.500 0.097 0.000 2.360 607 R HA 0.635 4.978 4.340 0.004 0.000 0.318 607 R C -1.477 174.848 176.300 0.041 0.000 0.950 607 R CA -0.361 55.861 56.100 0.203 0.000 0.837 607 R CB 1.019 31.483 30.300 0.273 0.000 1.165 607 R HN 0.556 nan 8.270 nan 0.000 0.458 608 V N 2.735 122.652 119.914 0.004 0.000 2.975 608 V HA 0.427 4.550 4.120 0.004 0.000 0.318 608 V C -0.145 175.930 176.094 -0.032 0.000 1.077 608 V CA -0.749 61.535 62.300 -0.027 0.000 1.000 608 V CB 1.968 33.779 31.823 -0.020 0.000 1.066 608 V HN 0.758 nan 8.190 nan 0.000 0.452 609 E N 1.087 121.279 120.200 -0.012 0.000 2.460 609 E HA 0.395 4.748 4.350 0.004 0.000 0.249 609 E C -1.665 174.987 176.600 0.087 0.000 0.962 609 E CA -0.268 56.132 56.400 -0.000 0.000 0.787 609 E CB 2.115 31.782 29.700 -0.055 0.000 1.341 609 E HN 0.461 nan 8.360 nan 0.000 0.407 610 V N 2.327 122.316 119.914 0.126 0.000 2.407 610 V HA 0.253 4.375 4.120 0.004 0.000 0.278 610 V C 0.403 176.571 176.094 0.122 0.000 1.037 610 V CA -0.343 62.076 62.300 0.199 0.000 0.900 610 V CB 1.556 33.514 31.823 0.224 0.000 0.983 610 V HN 0.532 nan 8.190 nan 0.000 0.459 611 T N 3.891 118.517 114.554 0.120 0.000 2.753 611 T HA 0.410 4.762 4.350 0.004 0.000 0.297 611 T C 0.014 174.772 174.700 0.096 0.000 0.981 611 T CA 0.034 62.186 62.100 0.088 0.000 0.956 611 T CB 0.791 69.702 68.868 0.072 0.000 0.936 611 T HN 0.823 nan 8.240 nan 0.000 0.463 612 T N 5.063 119.674 114.554 0.095 0.000 2.861 612 T HA 0.529 4.881 4.350 0.004 0.000 0.287 612 T C -2.874 171.903 174.700 0.129 0.000 1.003 612 T CA -2.404 59.764 62.100 0.114 0.000 0.977 612 T CB 1.288 70.228 68.868 0.121 0.000 0.996 612 T HN 0.100 nan 8.240 nan 0.000 0.448 613 P HA 0.204 nan 4.420 nan 0.000 0.271 613 P C 0.535 177.904 177.300 0.115 0.000 1.233 613 P CA 0.018 63.207 63.100 0.148 0.000 0.764 613 P CB 0.392 32.220 31.700 0.213 0.000 0.825 614 E N 2.980 123.212 120.200 0.054 0.000 2.413 614 E HA -0.329 4.023 4.350 0.004 0.000 0.206 614 E C 1.422 178.004 176.600 -0.030 0.000 1.047 614 E CA 1.079 57.492 56.400 0.021 0.000 0.859 614 E CB 0.082 29.787 29.700 0.007 0.000 0.771 614 E HN 0.529 nan 8.360 nan 0.000 0.527 615 E N -0.741 119.396 120.200 -0.105 0.000 2.077 615 E HA -0.201 4.151 4.350 0.004 0.000 0.193 615 E C 0.944 177.345 176.600 -0.332 0.000 0.989 615 E CA 1.144 57.371 56.400 -0.288 0.000 0.800 615 E CB -0.028 29.368 29.700 -0.506 0.000 0.746 615 E HN 0.463 nan 8.360 nan 0.000 0.452 616 Y N -0.283 120.018 120.300 0.001 0.000 2.466 616 Y HA 0.168 4.720 4.550 0.004 0.000 0.272 616 Y C 1.687 177.590 175.900 0.005 0.000 1.169 616 Y CA 0.068 58.168 58.100 0.000 0.000 1.285 616 Y CB -0.014 38.446 38.460 -0.001 0.000 1.078 616 Y HN 0.075 nan 8.280 nan 0.000 0.523 617 M N 0.281 119.951 119.600 0.116 0.000 2.838 617 M HA -0.046 4.436 4.480 0.004 0.000 0.228 617 M C 1.150 177.482 176.300 0.054 0.000 1.023 617 M CA 1.171 56.518 55.300 0.077 0.000 1.072 617 M CB -0.286 32.343 32.600 0.048 0.000 1.566 617 M HN 0.434 nan 8.290 nan 0.000 0.556 618 G N -0.812 108.023 108.800 0.058 0.000 2.759 618 G HA2 -0.015 3.947 3.960 0.004 0.000 0.197 618 G HA3 -0.015 3.947 3.960 0.004 0.000 0.197 618 G C 0.606 175.535 174.900 0.048 0.000 1.067 618 G CA 0.088 45.211 45.100 0.039 0.000 0.742 618 G HN 0.468 nan 8.290 nan 0.000 0.651 619 D N 0.808 121.250 120.400 0.070 0.000 2.117 619 D HA -0.032 4.610 4.640 0.004 0.000 0.198 619 D C 2.599 178.932 176.300 0.055 0.000 0.982 619 D CA 0.718 54.756 54.000 0.063 0.000 0.828 619 D CB 0.118 40.969 40.800 0.085 0.000 0.967 619 D HN 0.144 nan 8.370 nan 0.000 0.464 620 V N 1.049 121.004 119.914 0.068 0.000 2.233 620 V HA -0.257 3.866 4.120 0.004 0.000 0.247 620 V C 2.352 178.485 176.094 0.065 0.000 1.050 620 V CA 1.400 63.741 62.300 0.068 0.000 1.010 620 V CB -0.441 31.430 31.823 0.081 0.000 0.637 620 V HN 0.276 nan 8.190 nan 0.000 0.444 621 I N 0.426 121.026 120.570 0.051 0.000 2.208 621 I HA -0.236 3.936 4.170 0.004 0.000 0.245 621 I C 2.595 178.728 176.117 0.028 0.000 1.097 621 I CA 1.833 63.153 61.300 0.033 0.000 1.363 621 I CB -1.074 36.940 38.000 0.023 0.000 1.051 621 I HN 0.467 nan 8.210 nan 0.000 0.413 622 G N 0.435 109.253 108.800 0.030 0.000 2.440 622 G HA2 -0.360 3.602 3.960 0.004 0.000 0.218 622 G HA3 -0.360 3.602 3.960 0.004 0.000 0.218 622 G C 1.314 176.231 174.900 0.027 0.000 1.154 622 G CA 1.304 46.419 45.100 0.025 0.000 0.767 622 G HN 0.348 nan 8.290 nan 0.000 0.552 623 D N 0.057 120.482 120.400 0.041 0.000 2.104 623 D HA -0.104 4.538 4.640 0.004 0.000 0.194 623 D C 2.517 178.842 176.300 0.042 0.000 0.994 623 D CA 0.523 54.556 54.000 0.055 0.000 0.830 623 D CB -0.275 40.581 40.800 0.094 0.000 0.959 623 D HN 0.091 nan 8.370 nan 0.000 0.452 624 L N 1.110 122.354 121.223 0.035 0.000 1.978 624 L HA -0.214 4.128 4.340 0.004 0.000 0.218 624 L C 2.102 178.963 176.870 -0.015 0.000 1.075 624 L CA 1.654 56.488 54.840 -0.011 0.000 0.767 624 L CB -1.653 40.398 42.059 -0.013 0.000 0.890 624 L HN 0.164 nan 8.230 nan 0.000 0.434 625 N N -0.312 118.387 118.700 -0.002 0.000 2.272 625 N HA -0.141 4.601 4.740 0.004 0.000 0.185 625 N C 1.694 177.203 175.510 -0.001 0.000 1.014 625 N CA 1.377 54.427 53.050 -0.001 0.000 0.870 625 N CB -0.345 38.144 38.487 0.003 0.000 0.975 625 N HN 0.426 nan 8.380 nan 0.000 0.433 626 A N 0.396 123.217 122.820 0.003 0.000 2.119 626 A HA 0.068 4.390 4.320 0.004 0.000 0.216 626 A C 1.515 179.096 177.584 -0.005 0.000 1.152 626 A CA 0.427 52.465 52.037 0.003 0.000 0.708 626 A CB -0.007 19.000 19.000 0.011 0.000 0.805 626 A HN 0.138 nan 8.150 nan 0.000 0.460 627 R N -0.498 119.992 120.500 -0.016 0.000 3.179 627 R HA 0.287 4.629 4.340 0.004 0.000 0.317 627 R C -0.122 176.151 176.300 -0.045 0.000 1.331 627 R CA -0.345 55.733 56.100 -0.038 0.000 1.184 627 R CB -0.112 30.146 30.300 -0.070 0.000 1.408 627 R HN 0.415 nan 8.270 nan 0.000 0.598 628 R N -0.726 119.758 120.500 -0.027 0.000 3.804 628 R HA -0.216 4.126 4.340 0.004 0.000 0.286 628 R C 0.801 177.093 176.300 -0.014 0.000 1.192 628 R CA 0.659 56.748 56.100 -0.020 0.000 0.801 628 R CB -1.728 28.556 30.300 -0.026 0.000 1.180 628 R HN 0.513 nan 8.270 nan 0.000 0.509 629 G N 0.091 108.879 108.800 -0.019 0.000 2.631 629 G HA2 0.180 4.142 3.960 0.004 0.000 0.271 629 G HA3 0.180 4.142 3.960 0.004 0.000 0.271 629 G C -0.380 174.533 174.900 0.021 0.000 1.302 629 G CA -0.260 44.836 45.100 -0.007 0.000 1.002 629 G HN 0.152 nan 8.290 nan 0.000 0.519 630 Q N -0.170 119.647 119.800 0.028 0.000 2.759 630 Q HA 0.122 4.464 4.340 0.004 0.000 0.225 630 Q C -0.805 175.168 176.000 -0.045 0.000 0.823 630 Q CA -0.646 55.171 55.803 0.024 0.000 0.828 630 Q CB 1.089 29.888 28.738 0.102 0.000 1.425 630 Q HN 0.412 nan 8.270 nan 0.000 0.449 631 I N 5.102 125.642 120.570 -0.050 0.000 2.683 631 I HA -0.084 4.089 4.170 0.004 0.000 0.286 631 I C 1.403 177.453 176.117 -0.112 0.000 1.175 631 I CA 0.577 61.831 61.300 -0.077 0.000 1.429 631 I CB 0.203 38.177 38.000 -0.043 0.000 1.371 631 I HN 0.722 nan 8.210 nan 0.000 0.569 632 L N 5.168 126.294 121.223 -0.163 0.000 2.265 632 L HA 0.390 4.732 4.340 0.004 0.000 0.195 632 L C 1.087 177.892 176.870 -0.108 0.000 1.083 632 L CA 0.424 55.154 54.840 -0.182 0.000 0.798 632 L CB -0.213 41.671 42.059 -0.291 0.000 0.989 632 L HN 0.770 nan 8.230 nan 0.000 0.472 633 G N -0.955 107.791 108.800 -0.090 0.000 2.646 633 G HA2 0.560 4.522 3.960 0.004 0.000 0.291 633 G HA3 0.560 4.522 3.960 0.004 0.000 0.291 633 G C -1.638 173.240 174.900 -0.037 0.000 1.445 633 G CA -0.531 44.536 45.100 -0.055 0.000 0.814 633 G HN -0.232 nan 8.290 nan 0.000 0.495 634 M N -0.056 119.531 119.600 -0.022 0.000 2.753 634 M HA 0.866 5.348 4.480 0.004 0.000 0.299 634 M C -0.199 176.097 176.300 -0.006 0.000 1.219 634 M CA -0.489 54.806 55.300 -0.010 0.000 0.900 634 M CB 2.016 34.614 32.600 -0.004 0.000 1.628 634 M HN 0.702 nan 8.290 nan 0.000 0.502 635 E N -0.476 119.725 120.200 0.001 0.000 2.405 635 E HA 0.462 4.814 4.350 0.004 0.000 0.283 635 E C -2.954 173.653 176.600 0.010 0.000 1.140 635 E CA -1.107 55.295 56.400 0.003 0.000 0.904 635 E CB 1.768 31.469 29.700 0.001 0.000 1.209 635 E HN 0.201 nan 8.360 nan 0.000 0.428 636 P HA 0.484 nan 4.420 nan 0.000 0.306 636 P C -1.433 175.879 177.300 0.019 0.000 1.385 636 P CA -0.744 62.367 63.100 0.018 0.000 0.915 636 P CB 1.199 32.909 31.700 0.017 0.000 1.013 637 R N 3.303 123.820 120.500 0.028 0.000 3.436 637 R HA 0.530 4.872 4.340 0.004 0.000 0.247 637 R C 1.087 177.416 176.300 0.049 0.000 1.434 637 R CA 0.466 56.583 56.100 0.029 0.000 1.543 637 R CB -1.294 29.026 30.300 0.033 0.000 1.289 637 R HN 0.730 nan 8.270 nan 0.000 0.664 638 G N 2.929 111.756 108.800 0.045 0.000 2.677 638 G HA2 -0.497 3.465 3.960 0.004 0.000 0.321 638 G HA3 -0.497 3.465 3.960 0.004 0.000 0.321 638 G C 0.619 175.552 174.900 0.055 0.000 1.181 638 G CA 0.490 45.626 45.100 0.059 0.000 0.965 638 G HN 0.679 nan 8.290 nan 0.000 0.548 639 N N 2.623 121.363 118.700 0.067 0.000 2.383 639 N HA 0.462 5.204 4.740 0.004 0.000 0.192 639 N C 0.537 176.076 175.510 0.048 0.000 1.141 639 N CA 1.376 54.456 53.050 0.049 0.000 0.851 639 N CB 0.347 38.860 38.487 0.043 0.000 0.976 639 N HN 1.399 nan 8.380 nan 0.000 0.465 640 A N -0.126 122.727 122.820 0.056 0.000 2.486 640 A HA 0.616 4.938 4.320 0.004 0.000 0.289 640 A C -1.030 176.582 177.584 0.048 0.000 1.176 640 A CA -0.634 51.438 52.037 0.058 0.000 0.757 640 A CB 1.689 20.734 19.000 0.075 0.000 1.337 640 A HN 0.086 nan 8.150 nan 0.000 0.423 641 Q N 0.503 120.333 119.800 0.051 0.000 2.337 641 Q HA 0.523 4.865 4.340 0.004 0.000 0.266 641 Q C -0.896 175.131 176.000 0.045 0.000 1.023 641 Q CA -0.555 55.272 55.803 0.041 0.000 0.829 641 Q CB 1.790 30.550 28.738 0.037 0.000 1.306 641 Q HN 1.025 nan 8.270 nan 0.000 0.449 642 V N 0.669 120.603 119.914 0.033 0.000 2.417 642 V HA 0.679 4.802 4.120 0.004 0.000 0.291 642 V C -0.243 175.864 176.094 0.021 0.000 1.024 642 V CA -0.714 61.606 62.300 0.032 0.000 0.861 642 V CB 1.231 33.068 31.823 0.022 0.000 0.985 642 V HN 0.623 nan 8.190 nan 0.000 0.436 643 I N 4.983 125.568 120.570 0.026 0.000 2.362 643 I HA 0.587 4.759 4.170 0.004 0.000 0.289 643 I C 0.277 176.387 176.117 -0.011 0.000 0.994 643 I CA -0.628 60.676 61.300 0.007 0.000 1.158 643 I CB 1.680 39.691 38.000 0.018 0.000 1.315 643 I HN 0.630 nan 8.210 nan 0.000 0.451 644 R N 4.702 125.176 120.500 -0.043 0.000 2.404 644 R HA 0.880 5.222 4.340 0.004 0.000 0.291 644 R C -0.530 175.691 176.300 -0.131 0.000 1.025 644 R CA -0.421 55.631 56.100 -0.080 0.000 0.991 644 R CB 1.688 31.927 30.300 -0.100 0.000 1.053 644 R HN 0.783 nan 8.270 nan 0.000 0.479 645 A N 1.684 124.408 122.820 -0.159 0.000 2.586 645 A HA 0.611 4.934 4.320 0.004 0.000 0.290 645 A C -1.877 175.627 177.584 -0.134 0.000 1.086 645 A CA -0.749 51.172 52.037 -0.194 0.000 0.665 645 A CB 1.050 19.994 19.000 -0.094 0.000 1.279 645 A HN 0.441 nan 8.150 nan 0.000 0.423 646 F N 0.760 120.684 119.950 -0.043 0.000 2.375 646 F HA 0.578 5.108 4.527 0.004 0.000 0.361 646 F C 0.155 175.900 175.800 -0.092 0.000 1.117 646 F CA -1.002 56.965 58.000 -0.055 0.000 1.037 646 F CB 1.771 40.771 39.000 -0.001 0.000 1.192 646 F HN 0.486 nan 8.300 nan 0.000 0.452 647 V N 6.243 126.190 119.914 0.054 0.000 2.588 647 V HA 0.642 4.765 4.120 0.004 0.000 0.304 647 V C -2.595 173.429 176.094 -0.118 0.000 1.042 647 V CA -2.875 59.391 62.300 -0.055 0.000 0.877 647 V CB 2.376 34.120 31.823 -0.132 0.000 0.996 647 V HN 0.369 nan 8.190 nan 0.000 0.425 648 P HA -0.003 nan 4.420 nan 0.000 0.260 648 P C 0.639 177.826 177.300 -0.188 0.000 1.172 648 P CA 0.298 63.295 63.100 -0.171 0.000 0.760 648 P CB 0.574 32.196 31.700 -0.130 0.000 0.773 649 L N 5.061 126.152 121.223 -0.220 0.000 2.261 649 L HA -0.171 4.172 4.340 0.004 0.000 0.216 649 L C 1.891 178.547 176.870 -0.357 0.000 1.114 649 L CA 2.024 56.736 54.840 -0.213 0.000 0.777 649 L CB -1.057 40.885 42.059 -0.195 0.000 0.910 649 L HN 0.377 nan 8.230 nan 0.000 0.440 650 A N -1.158 121.436 122.820 -0.377 0.000 2.014 650 A HA -0.065 4.257 4.320 0.004 0.000 0.218 650 A C 2.107 179.513 177.584 -0.296 0.000 1.163 650 A CA 1.228 52.986 52.037 -0.465 0.000 0.652 650 A CB -0.332 18.529 19.000 -0.232 0.000 0.808 650 A HN 0.477 nan 8.150 nan 0.000 0.449 651 E N -0.417 119.679 120.200 -0.173 0.000 2.122 651 E HA -0.007 4.346 4.350 0.004 0.000 0.190 651 E C 1.513 178.080 176.600 -0.054 0.000 0.977 651 E CA 0.531 56.876 56.400 -0.091 0.000 0.820 651 E CB -0.354 29.292 29.700 -0.090 0.000 0.770 651 E HN 0.442 nan 8.360 nan 0.000 0.462 652 M N 0.532 120.077 119.600 -0.091 0.000 2.763 652 M HA -0.007 4.475 4.480 0.004 0.000 0.244 652 M C -0.066 176.358 176.300 0.207 0.000 1.065 652 M CA 0.251 55.503 55.300 -0.081 0.000 1.070 652 M CB -1.078 31.451 32.600 -0.119 0.000 1.494 652 M HN -0.164 nan 8.290 nan 0.000 0.546 653 F N 0.943 120.869 119.950 -0.039 0.000 2.472 653 F HA 0.434 4.964 4.527 0.004 0.000 0.364 653 F C 1.617 177.433 175.800 0.027 0.000 1.090 653 F CA 0.395 58.396 58.000 0.002 0.000 1.188 653 F CB 0.174 39.174 39.000 -0.000 0.000 1.105 653 F HN 0.498 nan 8.300 nan 0.000 0.536 654 G N 3.439 112.279 108.800 0.066 0.000 2.284 654 G HA2 -0.441 3.522 3.960 0.004 0.000 0.247 654 G HA3 -0.441 3.522 3.960 0.004 0.000 0.247 654 G C 1.313 176.250 174.900 0.062 0.000 1.012 654 G CA 0.457 45.577 45.100 0.033 0.000 0.618 654 G HN 0.638 nan 8.290 nan 0.000 0.521 655 Y N 1.505 121.752 120.300 -0.088 0.000 2.065 655 Y HA -0.252 4.301 4.550 0.004 0.000 0.251 655 Y C 3.061 178.847 175.900 -0.191 0.000 1.258 655 Y CA 4.086 62.060 58.100 -0.210 0.000 1.070 655 Y CB -1.049 37.148 38.460 -0.439 0.000 0.880 655 Y HN 0.884 nan 8.280 nan 0.000 0.509 656 A N -0.861 121.925 122.820 -0.056 0.000 1.896 656 A HA -0.353 3.969 4.320 0.004 0.000 0.220 656 A C 2.249 179.779 177.584 -0.090 0.000 1.206 656 A CA 3.370 55.430 52.037 0.037 0.000 0.647 656 A CB -1.587 17.564 19.000 0.252 0.000 0.828 656 A HN 0.634 nan 8.150 nan 0.000 0.455 657 T N 0.293 114.812 114.554 -0.057 0.000 2.788 657 T HA -0.134 4.219 4.350 0.004 0.000 0.268 657 T C 1.341 175.974 174.700 -0.112 0.000 1.044 657 T CA 1.714 63.776 62.100 -0.064 0.000 1.139 657 T CB -0.518 68.329 68.868 -0.035 0.000 0.867 657 T HN 0.930 nan 8.240 nan 0.000 0.454 658 D N 0.223 120.526 120.400 -0.162 0.000 2.339 658 D HA 0.096 4.738 4.640 0.004 0.000 0.217 658 D C 1.745 177.863 176.300 -0.303 0.000 1.050 658 D CA -0.130 53.763 54.000 -0.179 0.000 0.856 658 D CB -0.225 40.517 40.800 -0.097 0.000 0.922 658 D HN 0.287 nan 8.370 nan 0.000 0.518 659 L N -0.058 120.877 121.223 -0.479 0.000 2.253 659 L HA 0.286 4.628 4.340 0.004 0.000 0.205 659 L C 2.143 178.833 176.870 -0.299 0.000 1.078 659 L CA 0.913 55.428 54.840 -0.542 0.000 0.805 659 L CB -0.227 41.307 42.059 -0.875 0.000 0.963 659 L HN -0.169 nan 8.230 nan 0.000 0.459 660 R N -0.410 119.960 120.500 -0.217 0.000 2.097 660 R HA -0.155 4.187 4.340 0.004 0.000 0.236 660 R C 2.224 178.417 176.300 -0.180 0.000 1.135 660 R CA 1.869 57.878 56.100 -0.152 0.000 0.934 660 R CB -0.798 29.450 30.300 -0.087 0.000 0.846 660 R HN 0.413 nan 8.270 nan 0.000 0.431 661 S N 1.119 116.727 115.700 -0.153 0.000 2.359 661 S HA -0.184 4.288 4.470 0.004 0.000 0.223 661 S C 1.789 176.289 174.600 -0.167 0.000 1.039 661 S CA 1.541 59.662 58.200 -0.131 0.000 1.042 661 S CB -0.233 62.909 63.200 -0.096 0.000 0.915 661 S HN 0.174 nan 8.310 nan 0.000 0.439 662 K N 0.978 121.270 120.400 -0.181 0.000 2.211 662 K HA -0.052 4.271 4.320 0.004 0.000 0.204 662 K C 1.650 178.061 176.600 -0.314 0.000 1.047 662 K CA 1.522 57.708 56.287 -0.168 0.000 0.935 662 K CB -0.313 32.104 32.500 -0.138 0.000 0.728 662 K HN 0.651 nan 8.250 nan 0.000 0.452 663 T N -2.913 111.339 114.554 -0.504 0.000 3.339 663 T HA 0.142 4.495 4.350 0.004 0.000 0.292 663 T C -0.569 173.521 174.700 -1.016 0.000 1.012 663 T CA -0.611 60.838 62.100 -1.085 0.000 0.937 663 T CB 0.287 68.831 68.868 -0.540 0.000 1.164 663 T HN -0.041 nan 8.240 nan 0.000 0.509 664 Q N 0.815 120.259 119.800 -0.594 0.000 2.443 664 Q HA -0.235 4.108 4.340 0.004 0.000 0.337 664 Q C 1.437 177.329 176.000 -0.180 0.000 1.401 664 Q CA 1.141 56.776 55.803 -0.280 0.000 0.943 664 Q CB -2.136 26.516 28.738 -0.143 0.000 1.177 664 Q HN 1.305 nan 8.270 nan 0.000 0.394 665 G N 0.133 108.839 108.800 -0.156 0.000 2.284 665 G HA2 -0.424 3.538 3.960 0.004 0.000 0.268 665 G HA3 -0.424 3.538 3.960 0.004 0.000 0.268 665 G C 0.857 175.728 174.900 -0.049 0.000 0.980 665 G CA 0.902 45.958 45.100 -0.073 0.000 0.631 665 G HN 0.517 nan 8.290 nan 0.000 0.548 666 R N 0.937 121.384 120.500 -0.089 0.000 2.319 666 R HA 0.291 4.633 4.340 0.004 0.000 0.204 666 R C 1.303 177.600 176.300 -0.005 0.000 0.954 666 R CA 0.541 56.631 56.100 -0.017 0.000 1.066 666 R CB 0.234 30.552 30.300 0.030 0.000 0.991 666 R HN 0.415 nan 8.270 nan 0.000 0.486 667 G N 0.472 109.245 108.800 -0.045 0.000 2.432 667 G HA2 0.431 4.393 3.960 0.004 0.000 0.331 667 G HA3 0.431 4.393 3.960 0.004 0.000 0.331 667 G C -0.814 174.121 174.900 0.057 0.000 1.170 667 G CA -0.372 44.729 45.100 0.001 0.000 0.943 667 G HN 0.107 nan 8.290 nan 0.000 0.483 668 S N -0.140 115.631 115.700 0.117 0.000 2.543 668 S HA 0.750 5.223 4.470 0.004 0.000 0.273 668 S C -0.943 173.784 174.600 0.212 0.000 1.152 668 S CA -0.900 57.396 58.200 0.160 0.000 0.910 668 S CB 1.231 64.463 63.200 0.053 0.000 1.105 668 S HN 1.431 nan 8.310 nan 0.000 0.465 669 F N 1.107 121.094 119.950 0.061 0.000 2.639 669 F HA 0.943 5.472 4.527 0.004 0.000 0.339 669 F C -0.797 174.994 175.800 -0.015 0.000 1.071 669 F CA -1.209 56.824 58.000 0.054 0.000 0.994 669 F CB 1.131 40.234 39.000 0.172 0.000 1.341 669 F HN 0.811 nan 8.300 nan 0.000 0.498 670 V N 0.207 119.897 119.914 -0.373 0.000 2.891 670 V HA 0.735 4.857 4.120 0.004 0.000 0.304 670 V C -0.983 174.854 176.094 -0.428 0.000 1.171 670 V CA -1.044 60.933 62.300 -0.537 0.000 0.943 670 V CB 1.370 32.929 31.823 -0.441 0.000 1.037 670 V HN 1.267 nan 8.190 nan 0.000 0.427 671 M N 2.814 122.163 119.600 -0.419 0.000 2.591 671 M HA 0.931 5.414 4.480 0.004 0.000 0.306 671 M C -2.098 173.998 176.300 -0.341 0.000 1.190 671 M CA -0.331 54.776 55.300 -0.323 0.000 0.889 671 M CB 2.686 35.290 32.600 0.007 0.000 1.728 671 M HN 0.480 nan 8.290 nan 0.000 0.458 672 F N 1.520 121.514 119.950 0.074 0.000 2.556 672 F HA 0.515 5.044 4.527 0.004 0.000 0.314 672 F C -0.634 175.212 175.800 0.076 0.000 1.106 672 F CA -1.557 56.494 58.000 0.086 0.000 0.911 672 F CB 1.591 40.641 39.000 0.085 0.000 1.190 672 F HN 0.663 nan 8.300 nan 0.000 0.448 673 F N 2.777 122.844 119.950 0.195 0.000 2.608 673 F HA 0.085 4.615 4.527 0.004 0.000 0.380 673 F C 0.843 176.692 175.800 0.081 0.000 1.083 673 F CA 0.635 58.669 58.000 0.056 0.000 1.266 673 F CB 0.538 39.543 39.000 0.009 0.000 1.076 673 F HN 0.699 nan 8.300 nan 0.000 0.574 674 D N 2.652 122.467 120.400 -0.975 0.000 2.995 674 D HA 0.053 4.696 4.640 0.004 0.000 0.289 674 D C -0.171 175.668 176.300 -0.768 0.000 1.116 674 D CA 0.744 54.387 54.000 -0.595 0.000 0.994 674 D CB 0.222 40.892 40.800 -0.218 0.000 1.209 674 D HN 0.679 nan 8.370 nan 0.000 0.458 675 H N -2.907 115.459 119.070 -1.174 0.000 2.933 675 H HA 0.321 4.879 4.556 0.004 0.000 0.310 675 H C -1.760 173.358 175.328 -0.349 0.000 1.351 675 H CA -0.826 54.887 56.048 -0.557 0.000 1.137 675 H CB 0.119 29.688 29.762 -0.320 0.000 1.853 675 H HN 0.013 nan 8.280 nan 0.000 0.539 676 Y N 0.347 120.676 120.300 0.049 0.000 2.429 676 Y HA 0.433 4.985 4.550 0.004 0.000 0.342 676 Y C 0.158 176.062 175.900 0.007 0.000 1.004 676 Y CA -0.186 57.936 58.100 0.036 0.000 1.075 676 Y CB 2.224 40.777 38.460 0.155 0.000 1.214 676 Y HN 0.725 nan 8.280 nan 0.000 0.455 677 Q N 2.215 122.079 119.800 0.108 0.000 2.522 677 Q HA 0.260 4.602 4.340 0.004 0.000 0.285 677 Q C -1.687 174.361 176.000 0.080 0.000 0.982 677 Q CA -0.993 54.865 55.803 0.092 0.000 0.805 677 Q CB 1.838 30.586 28.738 0.016 0.000 1.457 677 Q HN 0.785 nan 8.270 nan 0.000 0.394 678 E N 1.297 121.538 120.200 0.069 0.000 2.344 678 E HA 0.168 4.520 4.350 0.004 0.000 0.270 678 E C -0.219 176.393 176.600 0.020 0.000 1.021 678 E CA -0.369 56.060 56.400 0.048 0.000 0.887 678 E CB 1.148 30.870 29.700 0.037 0.000 0.997 678 E HN 0.294 nan 8.360 nan 0.000 0.429 679 V N 4.923 124.842 119.914 0.009 0.000 2.673 679 V HA 0.009 4.132 4.120 0.004 0.000 0.303 679 V C -1.895 174.185 176.094 -0.022 0.000 1.046 679 V CA -0.941 61.347 62.300 -0.019 0.000 1.126 679 V CB 0.568 32.348 31.823 -0.071 0.000 0.934 679 V HN 0.681 nan 8.190 nan 0.000 0.487 680 P HA 0.128 nan 4.420 nan 0.000 0.271 680 P C 0.644 177.931 177.300 -0.023 0.000 1.216 680 P CA -0.331 62.760 63.100 -0.016 0.000 0.771 680 P CB 0.494 32.186 31.700 -0.013 0.000 0.864 681 K N 2.317 122.707 120.400 -0.017 0.000 2.137 681 K HA -0.293 4.029 4.320 0.004 0.000 0.216 681 K C 1.676 178.262 176.600 -0.023 0.000 1.052 681 K CA 1.823 58.099 56.287 -0.018 0.000 0.939 681 K CB -0.593 31.900 32.500 -0.011 0.000 0.724 681 K HN 0.587 nan 8.250 nan 0.000 0.465 682 Q N 0.750 120.538 119.800 -0.020 0.000 1.993 682 Q HA -0.132 4.210 4.340 0.004 0.000 0.202 682 Q C 2.109 178.090 176.000 -0.030 0.000 0.984 682 Q CA 2.115 57.906 55.803 -0.020 0.000 0.837 682 Q CB -0.079 28.650 28.738 -0.015 0.000 0.902 682 Q HN 0.187 nan 8.270 nan 0.000 0.423 683 V N 1.158 121.050 119.914 -0.036 0.000 2.380 683 V HA -0.302 3.821 4.120 0.004 0.000 0.251 683 V C 2.545 178.595 176.094 -0.074 0.000 1.063 683 V CA 2.340 64.609 62.300 -0.051 0.000 1.055 683 V CB -1.020 30.771 31.823 -0.053 0.000 0.657 683 V HN 0.413 nan 8.190 nan 0.000 0.455 684 Q N 0.055 119.812 119.800 -0.072 0.000 2.002 684 Q HA -0.295 4.047 4.340 0.004 0.000 0.204 684 Q C 2.388 178.348 176.000 -0.067 0.000 0.988 684 Q CA 2.253 58.004 55.803 -0.086 0.000 0.843 684 Q CB -0.138 28.562 28.738 -0.064 0.000 0.908 684 Q HN 0.653 nan 8.270 nan 0.000 0.420 685 E N 0.357 120.531 120.200 -0.043 0.000 2.130 685 E HA -0.193 4.160 4.350 0.004 0.000 0.196 685 E C 1.771 178.352 176.600 -0.031 0.000 0.998 685 E CA 1.262 57.644 56.400 -0.031 0.000 0.806 685 E CB 0.064 29.752 29.700 -0.021 0.000 0.738 685 E HN 0.194 nan 8.360 nan 0.000 0.459 686 K N -0.175 120.203 120.400 -0.036 0.000 1.985 686 K HA -0.117 4.205 4.320 0.004 0.000 0.210 686 K C 2.175 178.753 176.600 -0.038 0.000 1.047 686 K CA 1.224 57.493 56.287 -0.030 0.000 0.932 686 K CB -0.330 32.152 32.500 -0.029 0.000 0.716 686 K HN 0.116 nan 8.250 nan 0.000 0.439 687 L N 1.069 122.250 121.223 -0.071 0.000 2.021 687 L HA -0.268 4.074 4.340 0.004 0.000 0.215 687 L C 2.416 179.250 176.870 -0.060 0.000 1.074 687 L CA 1.368 56.149 54.840 -0.098 0.000 0.760 687 L CB -0.492 41.436 42.059 -0.218 0.000 0.889 687 L HN 0.261 nan 8.230 nan 0.000 0.433 688 I N -0.781 119.755 120.570 -0.056 0.000 2.151 688 I HA -0.269 3.903 4.170 0.004 0.000 0.243 688 I C 1.552 177.662 176.117 -0.011 0.000 1.080 688 I CA 1.164 62.446 61.300 -0.030 0.000 1.339 688 I CB -0.305 37.678 38.000 -0.028 0.000 1.039 688 I HN 0.237 nan 8.210 nan 0.000 0.409 689 K N 0.000 120.393 120.400 -0.011 0.000 2.780 689 K HA 0.000 4.322 4.320 0.004 0.000 0.191 689 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 689 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 689 K HN 0.000 nan 8.250 nan 0.000 0.543