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 1sb3_1_A DATA FIRST_RESID 9 DATA SEQUENCE GTVGVRTPLV DGVEKVTGKA KYTADIAAPD ALVGRILRSP HAHARILAID DATA SEQUENCE TSAAEALEGV IAVCTGAETP VPFGVLPIAE NEYPLARDKV RYRGDPVAAV DATA SEQUENCE AAIDEVTAEK ALALIKVDYE VLPAYMTPKA AMKAGAIALH DDKPNNILRE DATA SEQUENCE VHAEFGDVAA AFAEADLIRE KTYTFAEVNH VHMELNATLA EYDPVRDMLT DATA SEQUENCE LNTTTQVPYY VHLKVAACLQ MDSARIRVIK PFLGGGFGAR TEALHFEIIA DATA SEQUENCE GLLARKAKGT VRLLQTREET FIAHRGRPWT EVKMKIGLKK DGKIAALALE DATA SEQUENCE ATQAGGAYAG YGIITILYTG ALMHGLYHIP AIKHDAWRVY TNTPPCGAMR DATA SEQUENCE GHGTVDTRAA FEALLTEMGE ELGIDSLKIR QINMLPQIPY VTMYAQRVMS DATA SEQUENCE YGVPECLEKV KAASGWEERK GKLPKGRGLG IALSHFVSGT STPKHWTGEP DATA SEQUENCE HATVNLKLDF DGGITLLTGA ADIGQGSNTM ASQVAAEVLG VRLSRIRVIS DATA SEQUENCE ADSALTPKDN GSYSSRVTFM VGNASISAAE ELKGVLVKAA AKKLDAREED DATA SEQUENCE IEVIDEMFMV SGSQDPGLSF QEVVKAAMVD SGTITVKGTY TCPTEFQGDK DATA SEQUENCE KIRGSAIGAT MGFCYAAQVV EASVDEITGK VTAHKVWVAV DVGKALNPLA DATA SEQUENCE VEGQTQGGVW MGMGQALSEE TVYDNGRMVH GNILDYRVPT IVESPDIEVI DATA SEQUENCE IVESMDPNGP FGAKEASEGM LAGFLPAIHE AVYEAVGVRA TDFPLSPDRI DATA SEQUENCE TELLDAKEAA A 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 9 G C 0.000 174.827 174.900 -0.122 0.000 0.946 9 G CA 0.000 45.032 45.100 -0.114 0.000 0.502 10 T N -2.769 111.693 114.554 -0.153 0.000 3.026 10 T HA 0.268 4.619 4.350 0.001 0.000 0.245 10 T C 1.002 175.600 174.700 -0.171 0.000 1.004 10 T CA 0.537 62.552 62.100 -0.141 0.000 1.069 10 T CB 0.112 68.906 68.868 -0.124 0.000 1.005 10 T HN 0.596 nan 8.240 nan 0.000 0.472 11 V N 2.556 122.312 119.914 -0.264 0.000 2.585 11 V HA 0.488 4.609 4.120 0.001 0.000 0.296 11 V C 1.701 177.663 176.094 -0.220 0.000 1.035 11 V CA 1.163 63.276 62.300 -0.311 0.000 1.084 11 V CB 0.129 31.574 31.823 -0.630 0.000 0.953 11 V HN 0.968 nan 8.190 nan 0.000 0.483 12 G N 3.835 112.544 108.800 -0.152 0.000 2.176 12 G HA2 -0.199 3.761 3.960 0.001 0.000 0.253 12 G HA3 -0.199 3.761 3.960 0.001 0.000 0.253 12 G C 0.046 174.900 174.900 -0.077 0.000 0.979 12 G CA 0.044 45.083 45.100 -0.101 0.000 0.641 12 G HN 0.761 nan 8.290 nan 0.000 0.530 13 V N 1.619 121.484 119.914 -0.083 0.000 2.509 13 V HA 0.406 4.526 4.120 0.001 0.000 0.284 13 V C 1.177 177.241 176.094 -0.049 0.000 1.047 13 V CA -0.748 61.514 62.300 -0.064 0.000 0.952 13 V CB 1.365 33.146 31.823 -0.071 0.000 0.988 13 V HN 0.374 nan 8.190 nan 0.000 0.469 14 R N 2.949 123.427 120.500 -0.037 0.000 2.446 14 R HA 0.287 4.628 4.340 0.001 0.000 0.325 14 R C -0.357 175.925 176.300 -0.029 0.000 0.997 14 R CA 0.184 56.268 56.100 -0.028 0.000 1.010 14 R CB -0.016 30.272 30.300 -0.020 0.000 0.946 14 R HN 0.709 nan 8.270 nan 0.000 0.422 15 T N 5.509 120.046 114.554 -0.028 0.000 2.847 15 T HA 0.276 4.627 4.350 0.001 0.000 0.291 15 T C -2.389 172.299 174.700 -0.020 0.000 0.998 15 T CA -1.722 60.361 62.100 -0.028 0.000 0.967 15 T CB 2.008 70.854 68.868 -0.037 0.000 0.954 15 T HN 0.260 nan 8.240 nan 0.000 0.441 16 P HA 0.144 nan 4.420 nan 0.000 0.266 16 P C -0.113 177.183 177.300 -0.007 0.000 1.195 16 P CA -0.417 62.677 63.100 -0.009 0.000 0.768 16 P CB 0.449 32.143 31.700 -0.009 0.000 0.838 17 L N 2.508 123.732 121.223 0.002 0.000 2.485 17 L HA -0.026 4.314 4.340 0.001 0.000 0.275 17 L C 1.945 178.822 176.870 0.011 0.000 1.207 17 L CA -0.269 54.575 54.840 0.007 0.000 0.855 17 L CB 0.340 42.412 42.059 0.021 0.000 1.114 17 L HN 0.313 nan 8.230 nan 0.000 0.485 18 V N -1.109 118.807 119.914 0.003 0.000 2.867 18 V HA -0.176 3.944 4.120 0.001 0.000 0.260 18 V C 1.141 177.253 176.094 0.029 0.000 1.099 18 V CA 1.679 63.981 62.300 0.004 0.000 1.122 18 V CB -0.815 31.000 31.823 -0.013 0.000 0.708 18 V HN 1.008 nan 8.190 nan 0.000 0.490 19 D N -0.180 120.257 120.400 0.061 0.000 2.440 19 D HA 0.214 4.854 4.640 0.001 0.000 0.216 19 D C 1.787 178.163 176.300 0.126 0.000 1.150 19 D CA 0.498 54.583 54.000 0.141 0.000 0.832 19 D CB 0.052 40.990 40.800 0.230 0.000 0.992 19 D HN 0.373 nan 8.370 nan 0.000 0.502 20 G N 0.742 109.581 108.800 0.064 0.000 2.422 20 G HA2 -0.205 3.755 3.960 0.001 0.000 0.218 20 G HA3 -0.205 3.755 3.960 0.001 0.000 0.218 20 G C 1.554 176.459 174.900 0.007 0.000 1.146 20 G CA 0.879 46.001 45.100 0.036 0.000 0.769 20 G HN 0.256 nan 8.290 nan 0.000 0.547 21 V N 0.985 120.902 119.914 0.005 0.000 2.287 21 V HA -0.189 3.931 4.120 0.001 0.000 0.248 21 V C 2.769 178.839 176.094 -0.039 0.000 1.053 21 V CA 2.343 64.636 62.300 -0.013 0.000 1.027 21 V CB -0.512 31.307 31.823 -0.006 0.000 0.646 21 V HN 0.333 nan 8.190 nan 0.000 0.447 22 E N -0.009 120.156 120.200 -0.058 0.000 2.204 22 E HA -0.163 4.188 4.350 0.001 0.000 0.195 22 E C 2.140 178.608 176.600 -0.220 0.000 0.990 22 E CA 0.929 57.237 56.400 -0.153 0.000 0.821 22 E CB -0.275 29.292 29.700 -0.221 0.000 0.750 22 E HN 0.581 nan 8.360 nan 0.000 0.477 23 K N -0.025 120.278 120.400 -0.162 0.000 2.062 23 K HA -0.047 4.273 4.320 0.001 0.000 0.205 23 K C 2.030 178.600 176.600 -0.051 0.000 1.051 23 K CA 1.355 57.580 56.287 -0.104 0.000 0.941 23 K CB -0.050 32.442 32.500 -0.015 0.000 0.719 23 K HN 0.190 nan 8.250 nan 0.000 0.440 24 V N -0.733 119.158 119.914 -0.040 0.000 3.217 24 V HA -0.051 4.070 4.120 0.001 0.000 0.264 24 V C 1.741 177.816 176.094 -0.032 0.000 1.135 24 V CA 1.616 63.899 62.300 -0.028 0.000 1.142 24 V CB -0.651 31.160 31.823 -0.020 0.000 0.754 24 V HN 0.327 nan 8.190 nan 0.000 0.484 25 T N -3.681 110.847 114.554 -0.043 0.000 3.040 25 T HA 0.429 4.780 4.350 0.001 0.000 0.250 25 T C 1.687 176.362 174.700 -0.042 0.000 1.058 25 T CA 0.747 62.824 62.100 -0.039 0.000 0.988 25 T CB 0.352 69.196 68.868 -0.040 0.000 0.993 25 T HN 1.500 nan 8.240 nan 0.000 0.519 26 G N 1.788 110.557 108.800 -0.051 0.000 2.148 26 G HA2 -0.300 3.660 3.960 0.001 0.000 0.254 26 G HA3 -0.300 3.660 3.960 0.001 0.000 0.254 26 G C 0.741 175.607 174.900 -0.056 0.000 0.981 26 G CA 0.544 45.620 45.100 -0.040 0.000 0.670 26 G HN 0.554 nan 8.290 nan 0.000 0.528 27 K N 0.100 120.443 120.400 -0.096 0.000 2.243 27 K HA 0.430 4.751 4.320 0.001 0.000 0.201 27 K C 1.750 178.236 176.600 -0.190 0.000 1.051 27 K CA 0.588 56.813 56.287 -0.104 0.000 0.970 27 K CB 0.127 32.576 32.500 -0.086 0.000 0.755 27 K HN 0.638 nan 8.250 nan 0.000 0.465 28 A N 2.471 125.060 122.820 -0.386 0.000 2.524 28 A HA 0.019 4.339 4.320 0.001 0.000 0.250 28 A C -0.294 177.032 177.584 -0.429 0.000 1.078 28 A CA 0.296 51.808 52.037 -0.876 0.000 0.761 28 A CB 0.182 18.179 19.000 -1.672 0.000 1.012 28 A HN -0.020 nan 8.150 nan 0.000 0.500 29 K N 2.889 123.147 120.400 -0.237 0.000 2.263 29 K HA 0.356 4.676 4.320 0.001 0.000 0.272 29 K C -1.108 175.484 176.600 -0.012 0.000 1.033 29 K CA 0.033 56.312 56.287 -0.014 0.000 0.884 29 K CB 0.881 33.405 32.500 0.041 0.000 1.107 29 K HN 0.646 nan 8.250 nan 0.000 0.460 30 Y N 0.244 120.591 120.300 0.078 0.000 2.392 30 Y HA 0.061 4.611 4.550 0.001 0.000 0.323 30 Y C 2.237 178.177 175.900 0.066 0.000 1.291 30 Y CA -0.272 57.889 58.100 0.103 0.000 1.345 30 Y CB 0.488 38.988 38.460 0.066 0.000 1.320 30 Y HN 0.562 nan 8.280 nan 0.000 0.518 31 T N 0.614 115.296 114.554 0.213 0.000 2.620 31 T HA -0.318 4.033 4.350 0.001 0.000 0.267 31 T C 1.880 176.642 174.700 0.103 0.000 1.044 31 T CA 2.190 64.364 62.100 0.124 0.000 1.161 31 T CB -0.591 68.340 68.868 0.105 0.000 0.862 31 T HN 0.744 nan 8.240 nan 0.000 0.438 32 A N 1.229 124.111 122.820 0.104 0.000 2.209 32 A HA -0.051 4.270 4.320 0.001 0.000 0.212 32 A C 1.737 179.361 177.584 0.068 0.000 1.158 32 A CA 1.123 53.199 52.037 0.066 0.000 0.742 32 A CB -0.254 18.769 19.000 0.039 0.000 0.790 32 A HN 0.386 nan 8.150 nan 0.000 0.472 33 D N -0.380 120.080 120.400 0.099 0.000 2.354 33 D HA 0.130 4.770 4.640 0.001 0.000 0.209 33 D C 0.450 176.787 176.300 0.062 0.000 1.015 33 D CA 0.112 54.162 54.000 0.083 0.000 0.867 33 D CB 0.019 40.890 40.800 0.118 0.000 0.933 33 D HN 0.443 nan 8.370 nan 0.000 0.520 34 I N 1.772 122.380 120.570 0.062 0.000 2.598 34 I HA 0.044 4.214 4.170 0.001 0.000 0.284 34 I C 0.782 176.920 176.117 0.035 0.000 1.140 34 I CA -0.389 60.939 61.300 0.046 0.000 1.420 34 I CB 0.711 38.738 38.000 0.044 0.000 1.387 34 I HN -0.129 nan 8.210 nan 0.000 0.553 35 A N 5.894 128.731 122.820 0.028 0.000 2.425 35 A HA 0.681 5.002 4.320 0.001 0.000 0.249 35 A C 0.247 177.844 177.584 0.021 0.000 1.084 35 A CA -0.146 51.905 52.037 0.023 0.000 0.781 35 A CB 0.382 19.393 19.000 0.018 0.000 1.019 35 A HN 0.925 nan 8.150 nan 0.000 0.490 36 A N 3.921 126.753 122.820 0.020 0.000 2.771 36 A HA 0.598 4.918 4.320 0.001 0.000 0.301 36 A C -2.062 175.533 177.584 0.019 0.000 1.194 36 A CA -0.689 51.359 52.037 0.020 0.000 0.837 36 A CB 0.380 19.394 19.000 0.023 0.000 1.438 36 A HN 0.491 nan 8.150 nan 0.000 0.436 37 P HA -0.106 nan 4.420 nan 0.000 0.218 37 P C 0.485 177.795 177.300 0.016 0.000 1.148 37 P CA 1.264 64.373 63.100 0.015 0.000 0.822 37 P CB 0.351 32.058 31.700 0.012 0.000 0.784 38 D N -1.125 119.285 120.400 0.017 0.000 2.349 38 D HA 0.129 4.769 4.640 0.001 0.000 0.224 38 D C 0.592 176.906 176.300 0.023 0.000 1.029 38 D CA 0.112 54.123 54.000 0.019 0.000 0.879 38 D CB -0.513 40.297 40.800 0.018 0.000 0.906 38 D HN 0.075 nan 8.370 nan 0.000 0.528 39 A N 0.614 123.449 122.820 0.024 0.000 2.488 39 A HA 0.291 4.612 4.320 0.001 0.000 0.249 39 A C 0.302 177.902 177.584 0.027 0.000 1.083 39 A CA -0.047 52.007 52.037 0.028 0.000 0.768 39 A CB 0.107 19.124 19.000 0.028 0.000 1.017 39 A HN 0.208 nan 8.150 nan 0.000 0.496 40 L N 2.479 123.720 121.223 0.031 0.000 2.399 40 L HA 0.375 4.716 4.340 0.001 0.000 0.265 40 L C -0.086 176.802 176.870 0.030 0.000 1.089 40 L CA -0.847 54.010 54.840 0.029 0.000 0.802 40 L CB 1.356 43.434 42.059 0.031 0.000 1.180 40 L HN 0.414 nan 8.230 nan 0.000 0.454 41 V N 1.122 121.052 119.914 0.027 0.000 2.432 41 V HA 0.421 4.542 4.120 0.001 0.000 0.275 41 V C 0.649 176.762 176.094 0.032 0.000 1.043 41 V CA -0.341 61.975 62.300 0.028 0.000 0.925 41 V CB 1.125 32.962 31.823 0.023 0.000 0.985 41 V HN 0.863 nan 8.190 nan 0.000 0.466 42 G N 5.068 113.890 108.800 0.038 0.000 2.389 42 G HA2 0.735 4.696 3.960 0.001 0.000 0.328 42 G HA3 0.735 4.696 3.960 0.001 0.000 0.328 42 G C -0.711 174.217 174.900 0.048 0.000 1.133 42 G CA -0.596 44.531 45.100 0.045 0.000 0.891 42 G HN 0.461 nan 8.290 nan 0.000 0.485 43 R N 0.515 121.046 120.500 0.052 0.000 2.698 43 R HA 0.432 4.772 4.340 0.001 0.000 0.275 43 R C -1.125 175.217 176.300 0.069 0.000 1.001 43 R CA -0.781 55.352 56.100 0.055 0.000 0.896 43 R CB 2.194 32.519 30.300 0.042 0.000 1.218 43 R HN 0.499 nan 8.270 nan 0.000 0.462 44 I N 2.492 123.113 120.570 0.084 0.000 2.404 44 I HA 0.281 4.452 4.170 0.001 0.000 0.293 44 I C -0.114 176.049 176.117 0.075 0.000 0.992 44 I CA -1.120 60.239 61.300 0.097 0.000 1.149 44 I CB 1.792 39.881 38.000 0.149 0.000 1.315 44 I HN 0.249 nan 8.210 nan 0.000 0.446 45 L N 7.737 128.998 121.223 0.063 0.000 2.283 45 L HA 0.393 4.733 4.340 0.001 0.000 0.287 45 L C -0.176 176.725 176.870 0.052 0.000 1.073 45 L CA 0.294 55.166 54.840 0.053 0.000 0.822 45 L CB -0.014 42.075 42.059 0.049 0.000 1.186 45 L HN 0.500 nan 8.230 nan 0.000 0.436 46 R N 2.970 123.494 120.500 0.040 0.000 2.540 46 R HA 0.421 4.761 4.340 0.001 0.000 0.287 46 R C -0.170 176.123 176.300 -0.012 0.000 0.980 46 R CA -0.750 55.357 56.100 0.011 0.000 0.966 46 R CB 1.637 31.948 30.300 0.018 0.000 1.106 46 R HN 0.713 nan 8.270 nan 0.000 0.480 47 S N 2.615 118.282 115.700 -0.054 0.000 2.537 47 S HA 0.088 4.559 4.470 0.001 0.000 0.286 47 S C -1.428 173.047 174.600 -0.208 0.000 1.299 47 S CA -1.170 56.974 58.200 -0.094 0.000 1.067 47 S CB 0.593 63.733 63.200 -0.100 0.000 0.864 47 S HN 0.485 nan 8.310 nan 0.000 0.494 48 P HA 0.145 nan 4.420 nan 0.000 0.255 48 P C -0.650 176.296 177.300 -0.589 0.000 1.248 48 P CA 0.296 63.122 63.100 -0.457 0.000 0.807 48 P CB -0.038 31.348 31.700 -0.525 0.000 1.150 49 H N -1.159 117.739 119.070 -0.286 0.000 2.529 49 H HA 0.548 5.105 4.556 0.001 0.000 0.348 49 H C 1.182 176.428 175.328 -0.138 0.000 1.152 49 H CA -0.531 55.376 56.048 -0.235 0.000 1.202 49 H CB 1.766 31.317 29.762 -0.352 0.000 1.562 49 H HN -0.212 nan 8.280 nan 0.000 0.515 50 A N 1.441 124.292 122.820 0.051 0.000 2.014 50 A HA -0.071 4.249 4.320 0.001 0.000 0.218 50 A C 0.232 177.856 177.584 0.066 0.000 1.163 50 A CA 1.403 53.465 52.037 0.042 0.000 0.652 50 A CB -0.059 18.953 19.000 0.021 0.000 0.808 50 A HN 0.667 nan 8.150 nan 0.000 0.449 51 H N -1.911 117.126 119.070 -0.054 0.000 3.128 51 H HA 0.635 5.191 4.556 0.001 0.000 0.336 51 H C -0.970 174.308 175.328 -0.082 0.000 1.026 51 H CA -0.493 55.508 56.048 -0.079 0.000 1.376 51 H CB 0.973 30.653 29.762 -0.137 0.000 1.882 51 H HN 0.473 nan 8.280 nan 0.000 0.479 52 A N 4.411 127.281 122.820 0.082 0.000 2.597 52 A HA 0.625 4.946 4.320 0.001 0.000 0.292 52 A C -1.177 176.441 177.584 0.056 0.000 1.057 52 A CA -0.908 51.112 52.037 -0.028 0.000 0.674 52 A CB 1.459 20.425 19.000 -0.056 0.000 1.278 52 A HN 0.558 nan 8.150 nan 0.000 0.416 53 R N 0.261 120.775 120.500 0.024 0.000 2.428 53 R HA 0.603 4.944 4.340 0.001 0.000 0.294 53 R C -0.918 175.428 176.300 0.077 0.000 1.000 53 R CA -0.480 55.641 56.100 0.034 0.000 0.960 53 R CB 1.286 31.575 30.300 -0.019 0.000 1.076 53 R HN 0.606 nan 8.270 nan 0.000 0.475 54 I N 3.910 124.497 120.570 0.029 0.000 2.325 54 I HA 0.035 4.205 4.170 0.001 0.000 0.291 54 I C 1.206 177.270 176.117 -0.088 0.000 1.019 54 I CA -0.032 61.222 61.300 -0.077 0.000 1.302 54 I CB 1.083 39.028 38.000 -0.091 0.000 1.401 54 I HN 0.529 nan 8.210 nan 0.000 0.485 55 L N 6.090 127.244 121.223 -0.115 0.000 2.253 55 L HA 0.414 4.754 4.340 0.001 0.000 0.205 55 L C 0.828 177.644 176.870 -0.090 0.000 1.078 55 L CA 0.280 55.070 54.840 -0.083 0.000 0.805 55 L CB -0.066 41.954 42.059 -0.065 0.000 0.963 55 L HN 0.717 nan 8.230 nan 0.000 0.459 56 A N -0.251 122.494 122.820 -0.125 0.000 2.608 56 A HA 0.699 5.019 4.320 0.001 0.000 0.292 56 A C -1.733 175.768 177.584 -0.138 0.000 1.066 56 A CA -0.333 51.640 52.037 -0.106 0.000 0.676 56 A CB 1.941 20.894 19.000 -0.079 0.000 1.277 56 A HN -0.001 nan 8.150 nan 0.000 0.413 57 I N 0.807 121.314 120.570 -0.104 0.000 2.610 57 I HA 0.544 4.714 4.170 0.001 0.000 0.289 57 I C -2.162 173.916 176.117 -0.065 0.000 1.163 57 I CA -0.193 61.045 61.300 -0.103 0.000 1.044 57 I CB 2.009 39.946 38.000 -0.105 0.000 1.251 57 I HN 0.702 nan 8.210 nan 0.000 0.424 58 D N 4.142 124.510 120.400 -0.054 0.000 2.471 58 D HA 0.340 4.980 4.640 0.001 0.000 0.245 58 D C 0.424 176.708 176.300 -0.025 0.000 1.116 58 D CA -0.233 53.746 54.000 -0.035 0.000 0.853 58 D CB 1.681 42.463 40.800 -0.030 0.000 1.123 58 D HN 0.564 nan 8.370 nan 0.000 0.540 59 T N -0.334 114.208 114.554 -0.020 0.000 3.054 59 T HA 0.040 4.391 4.350 0.001 0.000 0.255 59 T C 1.699 176.394 174.700 -0.008 0.000 1.035 59 T CA 0.503 62.596 62.100 -0.012 0.000 0.941 59 T CB -0.124 68.737 68.868 -0.011 0.000 1.026 59 T HN 0.232 nan 8.240 nan 0.000 0.533 60 S N 2.340 118.035 115.700 -0.009 0.000 2.370 60 S HA -0.051 4.419 4.470 0.001 0.000 0.226 60 S C 2.401 177.000 174.600 -0.003 0.000 1.033 60 S CA 0.903 59.100 58.200 -0.006 0.000 1.011 60 S CB -1.001 62.194 63.200 -0.007 0.000 0.852 60 S HN 0.688 nan 8.310 nan 0.000 0.457 61 A N 1.907 124.726 122.820 -0.002 0.000 1.969 61 A HA 0.367 4.687 4.320 0.001 0.000 0.218 61 A C 2.510 180.096 177.584 0.002 0.000 1.169 61 A CA 1.637 53.674 52.037 0.000 0.000 0.635 61 A CB -1.361 17.639 19.000 0.001 0.000 0.810 61 A HN 0.883 nan 8.150 nan 0.000 0.445 62 A N -0.058 122.763 122.820 0.003 0.000 1.873 62 A HA -0.131 4.190 4.320 0.001 0.000 0.215 62 A C 1.868 179.455 177.584 0.005 0.000 1.186 62 A CA 1.464 53.505 52.037 0.005 0.000 0.616 62 A CB -0.515 18.488 19.000 0.006 0.000 0.823 62 A HN 0.596 nan 8.150 nan 0.000 0.442 63 E N -0.324 119.878 120.200 0.003 0.000 2.265 63 E HA -0.096 4.255 4.350 0.001 0.000 0.196 63 E C 1.902 178.504 176.600 0.004 0.000 0.996 63 E CA 0.814 57.215 56.400 0.003 0.000 0.832 63 E CB -0.193 29.508 29.700 0.001 0.000 0.756 63 E HN 0.624 nan 8.360 nan 0.000 0.491 64 A N 0.738 123.560 122.820 0.004 0.000 2.178 64 A HA 0.059 4.380 4.320 0.001 0.000 0.211 64 A C 0.910 178.497 177.584 0.005 0.000 1.157 64 A CA -0.254 51.785 52.037 0.004 0.000 0.780 64 A CB 0.042 19.044 19.000 0.003 0.000 0.828 64 A HN 0.145 nan 8.150 nan 0.000 0.476 65 L N 1.109 122.336 121.223 0.006 0.000 2.455 65 L HA 0.145 4.485 4.340 0.001 0.000 0.272 65 L C 0.495 177.370 176.870 0.008 0.000 1.174 65 L CA 0.023 54.868 54.840 0.007 0.000 0.869 65 L CB 0.051 42.115 42.059 0.008 0.000 1.130 65 L HN 0.397 nan 8.230 nan 0.000 0.474 66 E N 3.907 124.111 120.200 0.008 0.000 2.415 66 E HA 0.297 4.648 4.350 0.001 0.000 0.263 66 E C 0.928 177.534 176.600 0.010 0.000 0.995 66 E CA 0.911 57.316 56.400 0.008 0.000 0.915 66 E CB 0.221 29.925 29.700 0.008 0.000 0.951 66 E HN 0.941 nan 8.360 nan 0.000 0.449 67 G N 2.700 111.507 108.800 0.011 0.000 2.194 67 G HA2 -0.245 3.715 3.960 0.001 0.000 0.236 67 G HA3 -0.245 3.715 3.960 0.001 0.000 0.236 67 G C 0.017 174.925 174.900 0.013 0.000 0.987 67 G CA 0.036 45.143 45.100 0.012 0.000 0.635 67 G HN 0.506 nan 8.290 nan 0.000 0.520 68 V N 2.815 122.737 119.914 0.012 0.000 2.432 68 V HA 0.434 4.555 4.120 0.001 0.000 0.275 68 V C 1.445 177.547 176.094 0.013 0.000 1.043 68 V CA -0.442 61.865 62.300 0.013 0.000 0.925 68 V CB 1.389 33.219 31.823 0.012 0.000 0.985 68 V HN 0.201 nan 8.190 nan 0.000 0.466 69 I N 3.098 123.677 120.570 0.015 0.000 3.339 69 I HA 0.396 4.567 4.170 0.001 0.000 0.285 69 I C 0.905 177.029 176.117 0.013 0.000 1.201 69 I CA 0.718 62.028 61.300 0.016 0.000 1.434 69 I CB -0.158 37.854 38.000 0.021 0.000 1.152 69 I HN 0.670 nan 8.210 nan 0.000 0.443 70 A N 0.519 123.346 122.820 0.012 0.000 2.594 70 A HA 0.734 5.055 4.320 0.001 0.000 0.295 70 A C -1.324 176.265 177.584 0.008 0.000 1.071 70 A CA -0.372 51.669 52.037 0.007 0.000 0.685 70 A CB 1.971 20.973 19.000 0.003 0.000 1.285 70 A HN -0.167 nan 8.150 nan 0.000 0.405 71 V N 0.117 120.033 119.914 0.004 0.000 2.733 71 V HA 0.563 4.683 4.120 0.001 0.000 0.306 71 V C -0.588 175.508 176.094 0.002 0.000 1.084 71 V CA -0.569 61.734 62.300 0.006 0.000 0.905 71 V CB 1.439 33.264 31.823 0.005 0.000 1.010 71 V HN 1.165 nan 8.190 nan 0.000 0.424 72 C N 2.757 122.061 119.300 0.007 0.000 2.889 72 C HA 0.986 5.446 4.460 0.001 0.000 0.307 72 C C 0.462 175.456 174.990 0.008 0.000 1.251 72 C CA -0.379 58.642 59.018 0.004 0.000 1.593 72 C CB 2.116 29.860 27.740 0.007 0.000 2.104 72 C HN 1.073 nan 8.230 nan 0.000 0.476 73 T N -1.872 112.683 114.554 0.001 0.000 2.804 73 T HA 0.568 4.919 4.350 0.001 0.000 0.290 73 T C 1.024 175.722 174.700 -0.004 0.000 1.099 73 T CA 0.271 62.369 62.100 -0.003 0.000 1.011 73 T CB 1.110 69.965 68.868 -0.021 0.000 1.291 73 T HN 0.880 nan 8.240 nan 0.000 0.523 74 G N -0.153 108.638 108.800 -0.015 0.000 2.479 74 G HA2 0.064 4.025 3.960 0.001 0.000 0.220 74 G HA3 0.064 4.025 3.960 0.001 0.000 0.220 74 G C 1.582 176.447 174.900 -0.058 0.000 1.115 74 G CA 0.840 45.919 45.100 -0.034 0.000 0.757 74 G HN 1.201 nan 8.290 nan 0.000 0.560 75 A N 0.718 123.508 122.820 -0.050 0.000 2.070 75 A HA 0.005 4.325 4.320 0.001 0.000 0.220 75 A C 2.001 179.568 177.584 -0.028 0.000 1.159 75 A CA 1.607 53.615 52.037 -0.048 0.000 0.656 75 A CB -0.192 18.784 19.000 -0.039 0.000 0.800 75 A HN 0.484 nan 8.150 nan 0.000 0.453 76 E N -0.506 119.685 120.200 -0.015 0.000 2.474 76 E HA 0.034 4.385 4.350 0.001 0.000 0.195 76 E C 0.082 176.692 176.600 0.017 0.000 1.039 76 E CA 0.590 56.988 56.400 -0.003 0.000 0.881 76 E CB 0.208 29.904 29.700 -0.007 0.000 0.970 76 E HN 0.596 nan 8.360 nan 0.000 0.486 77 T N -1.399 113.175 114.554 0.033 0.000 3.401 77 T HA 0.221 4.572 4.350 0.001 0.000 0.341 77 T C -2.213 172.565 174.700 0.130 0.000 1.674 77 T CA -1.783 60.373 62.100 0.093 0.000 1.600 77 T CB 1.041 69.989 68.868 0.134 0.000 0.974 77 T HN -0.165 nan 8.240 nan 0.000 0.672 78 P HA 0.155 nan 4.420 nan 0.000 0.245 78 P C -0.009 177.456 177.300 0.274 0.000 1.212 78 P CA -0.013 63.158 63.100 0.118 0.000 0.774 78 P CB 0.267 32.000 31.700 0.055 0.000 0.999 79 V N 3.836 123.909 119.914 0.265 0.000 2.384 79 V HA 0.314 4.434 4.120 0.001 0.000 0.287 79 V C -1.944 174.241 176.094 0.151 0.000 1.020 79 V CA -2.130 60.291 62.300 0.201 0.000 0.850 79 V CB 1.893 33.779 31.823 0.105 0.000 0.987 79 V HN 0.026 nan 8.190 nan 0.000 0.436 80 P HA 0.474 nan 4.420 nan 0.000 0.277 80 P C -1.156 176.044 177.300 -0.167 0.000 1.271 80 P CA -0.232 62.556 63.100 -0.520 0.000 0.795 80 P CB 1.203 32.349 31.700 -0.922 0.000 1.101 81 F N -3.075 116.717 119.950 -0.265 0.000 2.626 81 F HA 0.867 5.395 4.527 0.001 0.000 0.311 81 F C -0.819 174.869 175.800 -0.186 0.000 1.088 81 F CA -0.915 56.972 58.000 -0.188 0.000 0.949 81 F CB 1.500 40.412 39.000 -0.147 0.000 1.322 81 F HN 0.579 nan 8.300 nan 0.000 0.461 82 G N 0.541 109.325 108.800 -0.026 0.000 2.703 82 G HA2 0.414 4.374 3.960 0.001 0.000 0.294 82 G HA3 0.414 4.374 3.960 0.001 0.000 0.294 82 G C -0.976 173.843 174.900 -0.134 0.000 1.451 82 G CA -0.225 44.804 45.100 -0.119 0.000 0.869 82 G HN 1.105 nan 8.290 nan 0.000 0.516 83 V N 0.610 120.382 119.914 -0.237 0.000 2.626 83 V HA 0.123 4.243 4.120 0.001 0.000 0.252 83 V C 0.625 176.410 176.094 -0.516 0.000 1.067 83 V CA 1.094 63.129 62.300 -0.442 0.000 1.081 83 V CB -0.460 30.942 31.823 -0.702 0.000 0.686 83 V HN 0.428 nan 8.190 nan 0.000 0.468 84 L N 0.879 121.860 121.223 -0.405 0.000 2.275 84 L HA 0.423 4.763 4.340 0.001 0.000 0.288 84 L C -1.344 175.340 176.870 -0.310 0.000 1.046 84 L CA -1.997 52.623 54.840 -0.368 0.000 0.805 84 L CB 0.665 42.567 42.059 -0.261 0.000 1.193 84 L HN 0.002 nan 8.230 nan 0.000 0.426 85 P HA -0.134 nan 4.420 nan 0.000 0.217 85 P C 1.532 178.700 177.300 -0.219 0.000 1.148 85 P CA 1.326 64.260 63.100 -0.278 0.000 0.828 85 P CB 0.149 31.641 31.700 -0.347 0.000 0.783 86 I N -5.127 115.308 120.570 -0.224 0.000 3.564 86 I HA 0.251 4.421 4.170 0.001 0.000 0.294 86 I C 0.616 176.656 176.117 -0.129 0.000 1.289 86 I CA 0.428 61.630 61.300 -0.164 0.000 1.325 86 I CB -0.268 37.641 38.000 -0.153 0.000 1.039 86 I HN -0.206 nan 8.210 nan 0.000 0.474 87 A N 1.842 124.576 122.820 -0.143 0.000 3.300 87 A HA 0.435 4.755 4.320 0.001 0.000 0.300 87 A C -0.489 177.004 177.584 -0.152 0.000 1.099 87 A CA -0.501 51.463 52.037 -0.122 0.000 0.846 87 A CB -0.050 18.896 19.000 -0.090 0.000 1.255 87 A HN 0.387 nan 8.150 nan 0.000 0.519 88 E N 1.743 121.841 120.200 -0.170 0.000 2.103 88 E HA 0.168 4.519 4.350 0.001 0.000 0.254 88 E C -0.290 176.140 176.600 -0.284 0.000 0.940 88 E CA -0.535 55.731 56.400 -0.223 0.000 0.771 88 E CB 0.582 30.172 29.700 -0.184 0.000 1.153 88 E HN 0.637 nan 8.360 nan 0.000 0.428 89 N N 2.076 120.589 118.700 -0.311 0.000 2.238 89 N HA 0.000 4.741 4.740 0.001 0.000 0.235 89 N C -0.349 175.014 175.510 -0.244 0.000 1.209 89 N CA -0.286 52.585 53.050 -0.298 0.000 0.879 89 N CB 0.575 38.865 38.487 -0.328 0.000 1.136 89 N HN 0.288 nan 8.380 nan 0.000 0.517 90 E N 0.414 120.244 120.200 -0.615 0.000 2.166 90 E HA 0.262 4.612 4.350 0.001 0.000 0.275 90 E C -1.213 174.801 176.600 -0.977 0.000 0.941 90 E CA -0.655 55.185 56.400 -0.932 0.000 0.784 90 E CB 0.928 29.813 29.700 -1.359 0.000 1.115 90 E HN 0.125 nan 8.360 nan 0.000 0.399 91 Y N 3.879 123.980 120.300 -0.332 0.000 2.334 91 Y HA 0.229 4.779 4.550 0.001 0.000 0.328 91 Y C -1.585 174.387 175.900 0.119 0.000 1.130 91 Y CA -2.063 56.002 58.100 -0.058 0.000 1.163 91 Y CB 1.168 39.635 38.460 0.013 0.000 1.207 91 Y HN 0.589 nan 8.280 nan 0.000 0.471 92 P HA -0.155 nan 4.420 nan 0.000 0.215 92 P C -0.570 176.874 177.300 0.240 0.000 1.157 92 P CA 1.637 64.973 63.100 0.392 0.000 0.874 92 P CB 0.352 32.193 31.700 0.236 0.000 0.790 93 L N -1.655 119.685 121.223 0.195 0.000 2.362 93 L HA 0.541 4.881 4.340 0.001 0.000 0.275 93 L C 0.059 176.993 176.870 0.108 0.000 0.998 93 L CA -1.600 53.311 54.840 0.117 0.000 0.820 93 L CB 1.770 43.877 42.059 0.080 0.000 1.270 93 L HN -0.157 nan 8.230 nan 0.000 0.415 94 A N 3.891 126.760 122.820 0.082 0.000 2.565 94 A HA 0.306 4.627 4.320 0.001 0.000 0.237 94 A C -0.054 177.519 177.584 -0.018 0.000 1.053 94 A CA 0.393 52.478 52.037 0.080 0.000 0.755 94 A CB 0.020 19.075 19.000 0.092 0.000 0.980 94 A HN 0.782 nan 8.150 nan 0.000 0.506 95 R N 1.964 122.411 120.500 -0.088 0.000 2.513 95 R HA 0.430 4.770 4.340 0.001 0.000 0.301 95 R C -0.519 175.722 176.300 -0.099 0.000 0.968 95 R CA -0.513 55.463 56.100 -0.206 0.000 0.872 95 R CB 1.436 31.403 30.300 -0.555 0.000 1.177 95 R HN 0.907 nan 8.270 nan 0.000 0.444 96 D N 0.633 120.994 120.400 -0.065 0.000 3.429 96 D HA -0.231 4.410 4.640 0.001 0.000 0.200 96 D C -0.180 176.132 176.300 0.020 0.000 1.351 96 D CA 2.103 56.089 54.000 -0.024 0.000 2.227 96 D CB -0.394 40.396 40.800 -0.017 0.000 1.277 96 D HN 0.658 nan 8.370 nan 0.000 0.455 97 K N -0.126 120.312 120.400 0.063 0.000 2.556 97 K HA 0.622 4.943 4.320 0.001 0.000 0.274 97 K C -0.463 176.228 176.600 0.151 0.000 0.966 97 K CA -0.983 55.366 56.287 0.102 0.000 0.865 97 K CB 2.892 35.443 32.500 0.086 0.000 1.444 97 K HN 0.077 nan 8.250 nan 0.000 0.433 98 V N -1.127 118.889 119.914 0.170 0.000 2.630 98 V HA 0.569 4.690 4.120 0.001 0.000 0.305 98 V C 0.079 176.249 176.094 0.128 0.000 1.046 98 V CA -0.917 61.471 62.300 0.147 0.000 0.934 98 V CB 1.353 33.248 31.823 0.119 0.000 1.003 98 V HN 0.917 nan 8.190 nan 0.000 0.451 99 R N 1.818 122.366 120.500 0.080 0.000 2.535 99 R HA 0.381 4.722 4.340 0.001 0.000 0.323 99 R C -0.939 175.411 176.300 0.084 0.000 0.979 99 R CA -0.059 56.008 56.100 -0.056 0.000 1.120 99 R CB 0.753 30.854 30.300 -0.332 0.000 1.306 99 R HN 0.923 nan 8.270 nan 0.000 0.540 100 Y N -3.016 117.294 120.300 0.016 0.000 2.620 100 Y HA 0.372 4.922 4.550 0.001 0.000 0.331 100 Y C -1.306 174.624 175.900 0.050 0.000 1.173 100 Y CA -1.657 56.452 58.100 0.015 0.000 1.076 100 Y CB 0.755 39.244 38.460 0.050 0.000 1.336 100 Y HN -0.271 nan 8.280 nan 0.000 0.459 101 R N 1.411 121.983 120.500 0.120 0.000 2.351 101 R HA 0.468 4.808 4.340 0.001 0.000 0.318 101 R C 0.790 177.126 176.300 0.059 0.000 1.055 101 R CA 1.358 57.468 56.100 0.016 0.000 0.968 101 R CB -0.165 30.175 30.300 0.067 0.000 0.974 101 R HN 1.403 nan 8.270 nan 0.000 0.439 102 G N 3.032 111.748 108.800 -0.141 0.000 2.296 102 G HA2 -0.220 3.740 3.960 0.001 0.000 0.188 102 G HA3 -0.220 3.740 3.960 0.001 0.000 0.188 102 G C -0.272 174.415 174.900 -0.354 0.000 1.000 102 G CA -0.223 44.845 45.100 -0.053 0.000 0.672 102 G HN 0.638 nan 8.290 nan 0.000 0.483 103 D N 2.676 122.506 120.400 -0.950 0.000 2.472 103 D HA 0.342 4.983 4.640 0.001 0.000 0.248 103 D C -2.088 174.049 176.300 -0.271 0.000 1.174 103 D CA -0.721 52.780 54.000 -0.831 0.000 0.883 103 D CB 1.051 41.454 40.800 -0.661 0.000 1.149 103 D HN 0.130 nan 8.370 nan 0.000 0.488 104 P HA -0.022 nan 4.420 nan 0.000 0.263 104 P C 0.365 177.670 177.300 0.007 0.000 1.195 104 P CA -0.118 62.955 63.100 -0.046 0.000 0.762 104 P CB 1.001 32.683 31.700 -0.030 0.000 0.799 105 V N 2.410 122.346 119.914 0.037 0.000 3.151 105 V HA 0.421 4.542 4.120 0.001 0.000 0.241 105 V C 0.729 176.844 176.094 0.035 0.000 1.173 105 V CA 1.363 63.693 62.300 0.050 0.000 1.154 105 V CB 0.087 31.962 31.823 0.087 0.000 0.898 105 V HN 0.662 nan 8.190 nan 0.000 0.473 106 A N -0.715 122.129 122.820 0.041 0.000 2.568 106 A HA 0.972 5.292 4.320 0.001 0.000 0.291 106 A C -1.283 176.330 177.584 0.048 0.000 1.159 106 A CA 0.033 52.091 52.037 0.034 0.000 0.679 106 A CB 1.575 20.587 19.000 0.020 0.000 1.285 106 A HN 0.873 nan 8.150 nan 0.000 0.428 107 A N -1.082 121.763 122.820 0.043 0.000 2.612 107 A HA 0.810 5.131 4.320 0.001 0.000 0.293 107 A C -1.557 176.049 177.584 0.037 0.000 1.075 107 A CA -0.026 52.042 52.037 0.051 0.000 0.680 107 A CB 1.096 20.137 19.000 0.068 0.000 1.279 107 A HN 2.253 nan 8.150 nan 0.000 0.411 108 V N -0.266 119.670 119.914 0.038 0.000 3.049 108 V HA 0.892 5.012 4.120 0.001 0.000 0.309 108 V C -0.734 175.378 176.094 0.031 0.000 1.148 108 V CA 0.119 62.437 62.300 0.029 0.000 0.990 108 V CB 2.089 33.927 31.823 0.026 0.000 1.039 108 V HN 2.206 nan 8.190 nan 0.000 0.430 109 A N 4.059 126.895 122.820 0.025 0.000 2.335 109 A HA 1.018 5.338 4.320 0.001 0.000 0.304 109 A C -0.376 177.222 177.584 0.023 0.000 1.118 109 A CA 0.137 52.190 52.037 0.027 0.000 0.757 109 A CB 1.378 20.393 19.000 0.026 0.000 1.188 109 A HN 1.974 nan 8.150 nan 0.000 0.460 110 A N 1.592 124.426 122.820 0.023 0.000 2.532 110 A HA 0.696 5.017 4.320 0.001 0.000 0.290 110 A C 0.846 178.442 177.584 0.020 0.000 1.143 110 A CA -0.149 51.900 52.037 0.020 0.000 0.728 110 A CB 0.397 19.408 19.000 0.019 0.000 1.317 110 A HN 1.540 nan 8.150 nan 0.000 0.414 111 I N -2.269 118.311 120.570 0.018 0.000 2.614 111 I HA 0.082 4.253 4.170 0.001 0.000 0.258 111 I C 0.226 176.353 176.117 0.017 0.000 1.189 111 I CA 1.445 62.755 61.300 0.017 0.000 1.462 111 I CB -0.635 37.374 38.000 0.015 0.000 1.092 111 I HN 0.627 nan 8.210 nan 0.000 0.442 112 D N -1.073 119.337 120.400 0.016 0.000 2.665 112 D HA 0.187 4.827 4.640 0.001 0.000 0.287 112 D C 0.185 176.494 176.300 0.016 0.000 1.266 112 D CA -0.643 53.366 54.000 0.015 0.000 0.830 112 D CB 0.897 41.705 40.800 0.013 0.000 1.356 112 D HN -0.139 nan 8.370 nan 0.000 0.437 113 E N -0.326 119.883 120.200 0.015 0.000 2.051 113 E HA -0.057 4.294 4.350 0.001 0.000 0.192 113 E C 1.917 178.525 176.600 0.014 0.000 0.991 113 E CA 1.317 57.726 56.400 0.015 0.000 0.799 113 E CB -0.328 29.380 29.700 0.013 0.000 0.748 113 E HN 0.339 nan 8.360 nan 0.000 0.449 114 V N 0.944 120.866 119.914 0.013 0.000 2.332 114 V HA -0.304 3.816 4.120 0.001 0.000 0.248 114 V C 2.135 178.237 176.094 0.012 0.000 1.055 114 V CA 2.304 64.611 62.300 0.012 0.000 1.038 114 V CB -0.828 31.001 31.823 0.010 0.000 0.651 114 V HN 0.372 nan 8.190 nan 0.000 0.450 115 T N 0.237 114.798 114.554 0.013 0.000 2.777 115 T HA -0.118 4.233 4.350 0.001 0.000 0.266 115 T C 2.055 176.764 174.700 0.015 0.000 1.040 115 T CA 1.492 63.600 62.100 0.013 0.000 1.141 115 T CB -0.425 68.451 68.868 0.013 0.000 0.868 115 T HN 0.570 nan 8.240 nan 0.000 0.444 116 A N 1.432 124.262 122.820 0.017 0.000 1.933 116 A HA -0.122 4.198 4.320 0.001 0.000 0.218 116 A C 2.196 179.792 177.584 0.020 0.000 1.175 116 A CA 1.998 54.047 52.037 0.020 0.000 0.628 116 A CB -0.610 18.404 19.000 0.023 0.000 0.814 116 A HN 0.523 nan 8.150 nan 0.000 0.444 117 E N 0.151 120.362 120.200 0.018 0.000 2.077 117 E HA -0.193 4.158 4.350 0.001 0.000 0.193 117 E C 1.890 178.499 176.600 0.016 0.000 0.989 117 E CA 1.567 57.978 56.400 0.018 0.000 0.800 117 E CB -0.040 29.669 29.700 0.015 0.000 0.746 117 E HN 0.356 nan 8.360 nan 0.000 0.452 118 K N 0.305 120.714 120.400 0.014 0.000 2.057 118 K HA -0.050 4.270 4.320 0.001 0.000 0.207 118 K C 2.105 178.713 176.600 0.014 0.000 1.049 118 K CA 1.172 57.467 56.287 0.013 0.000 0.931 118 K CB -0.749 31.758 32.500 0.011 0.000 0.714 118 K HN 0.253 nan 8.250 nan 0.000 0.440 119 A N 1.759 124.588 122.820 0.015 0.000 1.883 119 A HA -0.137 4.184 4.320 0.001 0.000 0.217 119 A C 2.374 179.968 177.584 0.016 0.000 1.186 119 A CA 1.334 53.380 52.037 0.015 0.000 0.624 119 A CB -0.731 18.279 19.000 0.016 0.000 0.822 119 A HN 0.194 nan 8.150 nan 0.000 0.444 120 L N -0.809 120.426 121.223 0.020 0.000 2.012 120 L HA -0.236 4.104 4.340 0.001 0.000 0.210 120 L C 3.048 179.931 176.870 0.022 0.000 1.073 120 L CA 1.259 56.113 54.840 0.023 0.000 0.748 120 L CB -0.667 41.408 42.059 0.027 0.000 0.891 120 L HN 0.441 nan 8.230 nan 0.000 0.431 121 A N -0.196 122.635 122.820 0.019 0.000 2.019 121 A HA -0.095 4.225 4.320 0.001 0.000 0.219 121 A C 2.173 179.767 177.584 0.016 0.000 1.164 121 A CA 1.161 53.209 52.037 0.018 0.000 0.644 121 A CB -0.553 18.456 19.000 0.015 0.000 0.805 121 A HN 0.411 nan 8.150 nan 0.000 0.449 122 L N -0.283 120.948 121.223 0.014 0.000 2.554 122 L HA 0.150 4.491 4.340 0.001 0.000 0.226 122 L C 0.080 176.955 176.870 0.008 0.000 1.137 122 L CA -0.069 54.777 54.840 0.010 0.000 0.863 122 L CB -0.221 41.843 42.059 0.008 0.000 0.985 122 L HN 0.288 nan 8.230 nan 0.000 0.451 123 I N 1.002 121.578 120.570 0.010 0.000 2.396 123 I HA 0.033 4.204 4.170 0.001 0.000 0.289 123 I C 0.461 176.579 176.117 0.001 0.000 1.056 123 I CA 0.135 61.437 61.300 0.003 0.000 1.365 123 I CB 0.728 38.732 38.000 0.006 0.000 1.407 123 I HN 0.016 nan 8.210 nan 0.000 0.509 124 K N 6.652 127.045 120.400 -0.012 0.000 2.240 124 K HA 0.578 4.898 4.320 0.001 0.000 0.271 124 K C -1.374 175.192 176.600 -0.057 0.000 1.018 124 K CA -0.488 55.789 56.287 -0.017 0.000 0.874 124 K CB 1.259 33.751 32.500 -0.014 0.000 1.098 124 K HN 0.421 nan 8.250 nan 0.000 0.458 125 V N 3.870 123.736 119.914 -0.079 0.000 2.540 125 V HA 0.258 4.379 4.120 0.001 0.000 0.302 125 V C -0.895 175.034 176.094 -0.275 0.000 1.035 125 V CA -1.024 61.131 62.300 -0.242 0.000 0.873 125 V CB 1.790 33.371 31.823 -0.403 0.000 0.992 125 V HN 0.795 nan 8.190 nan 0.000 0.428 126 D N 3.735 123.961 120.400 -0.290 0.000 2.329 126 D HA 0.470 5.110 4.640 0.001 0.000 0.232 126 D C -0.932 175.225 176.300 -0.237 0.000 1.088 126 D CA 0.070 53.970 54.000 -0.167 0.000 0.835 126 D CB 1.602 42.349 40.800 -0.088 0.000 1.078 126 D HN 0.439 nan 8.370 nan 0.000 0.495 127 Y N 0.223 120.513 120.300 -0.017 0.000 2.487 127 Y HA 0.274 4.825 4.550 0.001 0.000 0.337 127 Y C 0.797 176.624 175.900 -0.122 0.000 1.076 127 Y CA -0.909 57.152 58.100 -0.065 0.000 1.115 127 Y CB 1.856 40.256 38.460 -0.099 0.000 1.235 127 Y HN 0.194 nan 8.280 nan 0.000 0.468 128 E N 2.098 122.327 120.200 0.049 0.000 2.101 128 E HA 0.379 4.729 4.350 0.001 0.000 0.260 128 E C -1.446 175.088 176.600 -0.110 0.000 0.897 128 E CA -0.511 55.864 56.400 -0.042 0.000 0.744 128 E CB 0.950 30.623 29.700 -0.045 0.000 1.140 128 E HN 0.501 nan 8.360 nan 0.000 0.419 129 V N 5.805 125.603 119.914 -0.193 0.000 2.673 129 V HA 0.062 4.183 4.120 0.001 0.000 0.303 129 V C 0.528 176.502 176.094 -0.201 0.000 1.046 129 V CA 0.428 62.567 62.300 -0.268 0.000 1.126 129 V CB 0.363 31.995 31.823 -0.318 0.000 0.934 129 V HN 0.619 nan 8.190 nan 0.000 0.487 130 L N 5.727 126.812 121.223 -0.230 0.000 2.303 130 L HA 0.569 4.909 4.340 0.001 0.000 0.266 130 L C -2.414 174.317 176.870 -0.232 0.000 1.011 130 L CA -2.155 52.519 54.840 -0.278 0.000 0.818 130 L CB 1.924 43.654 42.059 -0.549 0.000 1.326 130 L HN 0.401 nan 8.230 nan 0.000 0.435 131 P HA 0.176 nan 4.420 nan 0.000 0.268 131 P C -1.227 175.787 177.300 -0.476 0.000 1.205 131 P CA -0.129 62.802 63.100 -0.283 0.000 0.771 131 P CB 0.799 32.376 31.700 -0.206 0.000 0.858 132 A N 3.138 125.666 122.820 -0.486 0.000 2.337 132 A HA 0.659 4.980 4.320 0.001 0.000 0.329 132 A C -1.365 175.838 177.584 -0.634 0.000 1.146 132 A CA -0.517 51.234 52.037 -0.477 0.000 0.800 132 A CB 0.599 19.497 19.000 -0.171 0.000 1.220 132 A HN 0.495 nan 8.150 nan 0.000 0.472 133 Y N 2.101 122.404 120.300 0.004 0.000 2.328 133 Y HA 0.346 4.896 4.550 0.001 0.000 0.336 133 Y C 0.975 176.846 175.900 -0.049 0.000 0.960 133 Y CA -0.998 57.091 58.100 -0.017 0.000 1.134 133 Y CB 1.800 40.255 38.460 -0.008 0.000 1.166 133 Y HN 0.580 nan 8.280 nan 0.000 0.464 134 M N 0.863 120.501 119.600 0.062 0.000 2.486 134 M HA 0.068 4.549 4.480 0.001 0.000 0.264 134 M C 0.647 176.907 176.300 -0.067 0.000 1.125 134 M CA 0.524 55.810 55.300 -0.022 0.000 1.144 134 M CB -0.420 32.165 32.600 -0.024 0.000 1.353 134 M HN 0.712 nan 8.290 nan 0.000 0.466 135 T N -2.964 111.556 114.554 -0.057 0.000 2.932 135 T HA 0.461 4.811 4.350 0.001 0.000 0.289 135 T C -2.372 172.292 174.700 -0.061 0.000 1.039 135 T CA -1.751 60.256 62.100 -0.154 0.000 1.024 135 T CB 2.619 71.356 68.868 -0.217 0.000 1.090 135 T HN -0.213 nan 8.240 nan 0.000 0.496 136 P HA -0.031 nan 4.420 nan 0.000 0.215 136 P C 1.448 178.736 177.300 -0.020 0.000 1.157 136 P CA 1.212 64.329 63.100 0.029 0.000 0.868 136 P CB 0.080 31.856 31.700 0.128 0.000 0.788 137 K N -0.555 119.822 120.400 -0.038 0.000 2.074 137 K HA -0.161 4.160 4.320 0.001 0.000 0.209 137 K C 2.107 178.667 176.600 -0.067 0.000 1.048 137 K CA 1.737 57.992 56.287 -0.054 0.000 0.926 137 K CB -0.680 31.793 32.500 -0.044 0.000 0.713 137 K HN 0.065 nan 8.250 nan 0.000 0.444 138 A N 1.195 123.985 122.820 -0.050 0.000 1.897 138 A HA -0.036 4.284 4.320 0.001 0.000 0.215 138 A C 2.325 179.771 177.584 -0.229 0.000 1.181 138 A CA 1.606 53.619 52.037 -0.040 0.000 0.620 138 A CB -0.561 18.498 19.000 0.097 0.000 0.821 138 A HN 0.328 nan 8.150 nan 0.000 0.443 139 A N -0.781 121.920 122.820 -0.198 0.000 2.015 139 A HA -0.012 4.308 4.320 0.001 0.000 0.219 139 A C 2.123 179.533 177.584 -0.290 0.000 1.163 139 A CA 1.578 53.392 52.037 -0.372 0.000 0.646 139 A CB -0.476 18.487 19.000 -0.061 0.000 0.806 139 A HN 0.522 nan 8.150 nan 0.000 0.448 140 M N -0.740 118.761 119.600 -0.164 0.000 2.541 140 M HA 0.059 4.539 4.480 0.001 0.000 0.252 140 M C 0.872 177.100 176.300 -0.121 0.000 1.125 140 M CA 0.256 55.489 55.300 -0.111 0.000 1.091 140 M CB -0.093 32.461 32.600 -0.078 0.000 1.420 140 M HN 0.256 nan 8.290 nan 0.000 0.486 141 K N 2.127 122.436 120.400 -0.152 0.000 2.524 141 K HA 0.154 4.475 4.320 0.001 0.000 0.279 141 K C -0.196 176.343 176.600 -0.100 0.000 0.993 141 K CA -0.226 55.994 56.287 -0.112 0.000 1.030 141 K CB 0.589 33.027 32.500 -0.103 0.000 0.891 141 K HN 0.167 nan 8.250 nan 0.000 0.488 142 A N 3.188 125.972 122.820 -0.059 0.000 2.546 142 A HA 0.324 4.644 4.320 0.001 0.000 0.243 142 A C 1.238 178.801 177.584 -0.036 0.000 1.063 142 A CA 0.761 52.774 52.037 -0.039 0.000 0.757 142 A CB -0.570 18.416 19.000 -0.023 0.000 0.991 142 A HN 1.127 nan 8.150 nan 0.000 0.503 143 G N 1.075 109.858 108.800 -0.028 0.000 2.241 143 G HA2 0.131 4.092 3.960 0.001 0.000 0.244 143 G HA3 0.131 4.092 3.960 0.001 0.000 0.244 143 G C 0.716 175.609 174.900 -0.011 0.000 0.998 143 G CA 0.426 45.519 45.100 -0.010 0.000 0.621 143 G HN 2.299 nan 8.290 nan 0.000 0.519 144 A N 0.742 123.511 122.820 -0.085 0.000 2.540 144 A HA 0.516 4.837 4.320 0.001 0.000 0.239 144 A C 0.865 178.433 177.584 -0.027 0.000 1.061 144 A CA 0.380 52.305 52.037 -0.186 0.000 0.758 144 A CB 0.013 18.652 19.000 -0.601 0.000 0.991 144 A HN 0.886 nan 8.150 nan 0.000 0.502 145 I N 1.667 122.359 120.570 0.202 0.000 2.648 145 I HA 0.145 4.315 4.170 0.001 0.000 0.284 145 I C 1.127 177.373 176.117 0.215 0.000 1.153 145 I CA 0.109 61.534 61.300 0.208 0.000 1.426 145 I CB 0.718 38.853 38.000 0.225 0.000 1.381 145 I HN 0.733 nan 8.210 nan 0.000 0.571 146 A N 6.421 129.314 122.820 0.122 0.000 2.409 146 A HA 0.275 4.596 4.320 0.001 0.000 0.267 146 A C 0.815 178.434 177.584 0.059 0.000 1.127 146 A CA -0.464 51.626 52.037 0.088 0.000 0.795 146 A CB 0.443 19.483 19.000 0.067 0.000 1.061 146 A HN 0.739 nan 8.150 nan 0.000 0.502 147 L N 2.231 123.416 121.223 -0.063 0.000 2.046 147 L HA -0.075 4.265 4.340 0.001 0.000 0.208 147 L C 0.902 177.387 176.870 -0.642 0.000 1.077 147 L CA 1.654 56.251 54.840 -0.405 0.000 0.747 147 L CB -0.478 41.158 42.059 -0.705 0.000 0.896 147 L HN 0.708 nan 8.230 nan 0.000 0.432 148 H N -0.912 118.039 119.070 -0.198 0.000 2.547 148 H HA 0.175 4.732 4.556 0.001 0.000 0.342 148 H C 0.208 175.534 175.328 -0.004 0.000 1.048 148 H CA -0.731 55.240 56.048 -0.129 0.000 1.204 148 H CB 1.528 31.158 29.762 -0.220 0.000 1.493 148 H HN 0.002 nan 8.280 nan 0.000 0.511 149 D N 1.228 121.695 120.400 0.113 0.000 2.182 149 D HA -0.159 4.481 4.640 0.001 0.000 0.201 149 D C 1.288 177.648 176.300 0.100 0.000 0.986 149 D CA 1.274 55.328 54.000 0.091 0.000 0.847 149 D CB 0.058 40.901 40.800 0.073 0.000 0.942 149 D HN 0.671 nan 8.370 nan 0.000 0.467 150 D N 0.099 120.569 120.400 0.116 0.000 2.378 150 D HA -0.110 4.530 4.640 0.001 0.000 0.227 150 D C 0.184 176.554 176.300 0.116 0.000 1.012 150 D CA 0.541 54.599 54.000 0.097 0.000 0.905 150 D CB 0.004 40.850 40.800 0.077 0.000 0.895 150 D HN -0.008 nan 8.370 nan 0.000 0.532 151 K N 0.589 121.084 120.400 0.158 0.000 2.920 151 K HA 0.236 4.557 4.320 0.001 0.000 0.175 151 K C -2.173 174.517 176.600 0.150 0.000 1.099 151 K CA -1.730 54.662 56.287 0.174 0.000 0.939 151 K CB 1.937 34.608 32.500 0.284 0.000 1.148 151 K HN -0.105 nan 8.250 nan 0.000 0.613 152 P HA -0.226 nan 4.420 nan 0.000 0.218 152 P C 0.674 178.013 177.300 0.065 0.000 1.152 152 P CA 1.512 64.656 63.100 0.074 0.000 0.857 152 P CB 0.204 31.938 31.700 0.056 0.000 0.787 153 N N -2.041 116.703 118.700 0.074 0.000 2.313 153 N HA -0.005 4.736 4.740 0.001 0.000 0.207 153 N C 0.058 175.610 175.510 0.070 0.000 1.141 153 N CA -0.147 52.935 53.050 0.053 0.000 0.830 153 N CB -1.284 37.237 38.487 0.056 0.000 1.008 153 N HN -0.073 nan 8.380 nan 0.000 0.481 154 N N -0.158 118.621 118.700 0.132 0.000 2.713 154 N HA -0.178 4.562 4.740 0.001 0.000 0.251 154 N C -1.057 174.562 175.510 0.182 0.000 1.117 154 N CA 0.690 53.874 53.050 0.223 0.000 0.770 154 N CB -1.367 37.195 38.487 0.126 0.000 1.137 154 N HN 0.543 nan 8.380 nan 0.000 0.566 155 I N 1.183 121.826 120.570 0.123 0.000 2.307 155 I HA 0.066 4.236 4.170 0.001 0.000 0.289 155 I C 1.595 177.698 176.117 -0.024 0.000 1.021 155 I CA -0.562 60.776 61.300 0.064 0.000 1.224 155 I CB 1.318 39.403 38.000 0.141 0.000 1.376 155 I HN -0.065 nan 8.210 nan 0.000 0.470 156 L N 6.455 127.529 121.223 -0.249 0.000 2.072 156 L HA 0.098 4.439 4.340 0.001 0.000 0.205 156 L C 0.712 177.511 176.870 -0.119 0.000 1.079 156 L CA 1.796 56.441 54.840 -0.326 0.000 0.752 156 L CB -0.143 41.513 42.059 -0.670 0.000 0.906 156 L HN 0.658 nan 8.230 nan 0.000 0.436 157 R N -0.333 120.116 120.500 -0.086 0.000 2.594 157 R HA 0.423 4.763 4.340 0.001 0.000 0.265 157 R C -1.594 174.656 176.300 -0.083 0.000 1.070 157 R CA -0.453 55.611 56.100 -0.061 0.000 0.909 157 R CB 1.091 31.352 30.300 -0.065 0.000 1.243 157 R HN 0.229 nan 8.270 nan 0.000 0.455 158 E N 2.075 122.196 120.200 -0.132 0.000 2.227 158 E HA 0.611 4.961 4.350 0.001 0.000 0.268 158 E C -1.035 175.306 176.600 -0.432 0.000 0.907 158 E CA -1.260 54.923 56.400 -0.362 0.000 0.786 158 E CB 2.727 32.287 29.700 -0.232 0.000 1.191 158 E HN 0.251 nan 8.360 nan 0.000 0.411 159 V N 2.749 122.209 119.914 -0.757 0.000 2.588 159 V HA 0.327 4.447 4.120 0.001 0.000 0.304 159 V C -0.871 174.676 176.094 -0.911 0.000 1.042 159 V CA -0.807 61.162 62.300 -0.552 0.000 0.877 159 V CB 1.717 33.343 31.823 -0.328 0.000 0.996 159 V HN 0.656 nan 8.190 nan 0.000 0.425 160 H N 3.229 122.171 119.070 -0.214 0.000 3.172 160 H HA 0.766 5.323 4.556 0.001 0.000 0.322 160 H C -0.313 174.961 175.328 -0.090 0.000 1.003 160 H CA -0.075 55.861 56.048 -0.186 0.000 1.466 160 H CB 2.007 31.676 29.762 -0.154 0.000 1.673 160 H HN 0.858 nan 8.280 nan 0.000 0.512 161 A N 2.531 125.381 122.820 0.050 0.000 2.515 161 A HA 0.682 5.002 4.320 0.001 0.000 0.296 161 A C -0.877 176.672 177.584 -0.058 0.000 1.094 161 A CA -0.692 51.328 52.037 -0.028 0.000 0.718 161 A CB 2.623 21.652 19.000 0.048 0.000 1.307 161 A HN 0.595 nan 8.150 nan 0.000 0.408 162 E N -0.075 119.920 120.200 -0.341 0.000 2.308 162 E HA 0.565 4.916 4.350 0.001 0.000 0.275 162 E C -2.104 174.168 176.600 -0.546 0.000 0.890 162 E CA -0.300 55.967 56.400 -0.222 0.000 0.754 162 E CB 1.821 31.473 29.700 -0.080 0.000 1.207 162 E HN 0.463 nan 8.360 nan 0.000 0.426 163 F N 1.609 121.629 119.950 0.117 0.000 2.496 163 F HA 0.550 5.078 4.527 0.001 0.000 0.341 163 F C 0.736 176.578 175.800 0.069 0.000 1.134 163 F CA -0.007 58.059 58.000 0.109 0.000 0.968 163 F CB 1.899 41.020 39.000 0.203 0.000 1.205 163 F HN 0.709 nan 8.300 nan 0.000 0.436 164 G N 2.459 111.345 108.800 0.143 0.000 2.725 164 G HA2 -0.173 3.788 3.960 0.001 0.000 0.220 164 G HA3 -0.173 3.788 3.960 0.001 0.000 0.220 164 G C -1.335 173.600 174.900 0.057 0.000 1.357 164 G CA -0.849 44.307 45.100 0.093 0.000 0.866 164 G HN 0.658 nan 8.290 nan 0.000 0.548 165 D N 0.266 120.692 120.400 0.044 0.000 2.456 165 D HA 0.440 5.080 4.640 0.001 0.000 0.219 165 D C 1.790 178.117 176.300 0.045 0.000 1.126 165 D CA 0.066 54.091 54.000 0.041 0.000 0.890 165 D CB 1.018 41.839 40.800 0.035 0.000 1.025 165 D HN 0.268 nan 8.370 nan 0.000 0.511 166 V N 3.988 123.944 119.914 0.070 0.000 2.295 166 V HA -0.235 3.886 4.120 0.001 0.000 0.246 166 V C 2.567 178.768 176.094 0.179 0.000 1.049 166 V CA 2.054 64.408 62.300 0.090 0.000 1.024 166 V CB -0.717 31.210 31.823 0.174 0.000 0.648 166 V HN 0.643 nan 8.190 nan 0.000 0.447 167 A N 0.175 123.106 122.820 0.185 0.000 1.892 167 A HA -0.202 4.119 4.320 0.001 0.000 0.218 167 A C 2.432 180.111 177.584 0.158 0.000 1.188 167 A CA 2.501 54.654 52.037 0.194 0.000 0.631 167 A CB -0.903 18.168 19.000 0.118 0.000 0.822 167 A HN 0.594 nan 8.150 nan 0.000 0.447 168 A N -0.303 122.574 122.820 0.096 0.000 1.877 168 A HA 0.175 4.495 4.320 0.001 0.000 0.216 168 A C 2.544 180.162 177.584 0.056 0.000 1.186 168 A CA 2.175 54.253 52.037 0.068 0.000 0.620 168 A CB -1.134 17.893 19.000 0.044 0.000 0.822 168 A HN 1.154 nan 8.150 nan 0.000 0.443 169 A N -1.233 121.595 122.820 0.013 0.000 1.908 169 A HA -0.077 4.243 4.320 0.001 0.000 0.218 169 A C 1.935 179.476 177.584 -0.072 0.000 1.181 169 A CA 1.703 53.699 52.037 -0.069 0.000 0.627 169 A CB -0.760 18.139 19.000 -0.168 0.000 0.818 169 A HN 0.456 nan 8.150 nan 0.000 0.445 170 F N -0.007 119.962 119.950 0.032 0.000 2.234 170 F HA -0.007 4.520 4.527 0.001 0.000 0.299 170 F C 2.700 178.512 175.800 0.021 0.000 1.087 170 F CA 0.614 58.630 58.000 0.026 0.000 1.340 170 F CB -0.502 38.516 39.000 0.030 0.000 1.031 170 F HN 0.257 nan 8.300 nan 0.000 0.500 171 A N -0.779 122.162 122.820 0.201 0.000 2.015 171 A HA -0.196 4.124 4.320 0.001 0.000 0.219 171 A C 2.022 179.657 177.584 0.086 0.000 1.163 171 A CA 1.588 53.698 52.037 0.121 0.000 0.646 171 A CB -0.701 18.352 19.000 0.088 0.000 0.806 171 A HN 0.427 nan 8.150 nan 0.000 0.448 172 E N -0.525 119.718 120.200 0.072 0.000 2.489 172 E HA 0.334 4.684 4.350 0.001 0.000 0.193 172 E C 0.546 177.172 176.600 0.044 0.000 1.057 172 E CA 0.156 56.583 56.400 0.045 0.000 0.866 172 E CB -0.028 29.687 29.700 0.025 0.000 0.916 172 E HN 0.585 nan 8.360 nan 0.000 0.500 173 A N 0.656 123.518 122.820 0.070 0.000 2.340 173 A HA 0.131 4.451 4.320 0.001 0.000 0.268 173 A C 0.292 177.913 177.584 0.062 0.000 1.100 173 A CA -0.451 51.627 52.037 0.069 0.000 0.803 173 A CB 0.585 19.659 19.000 0.124 0.000 1.043 173 A HN 0.149 nan 8.150 nan 0.000 0.488 174 D N -0.270 120.157 120.400 0.044 0.000 2.327 174 D HA 0.141 4.781 4.640 0.001 0.000 0.205 174 D C -0.341 175.980 176.300 0.035 0.000 0.989 174 D CA 0.923 54.943 54.000 0.035 0.000 0.873 174 D CB 0.360 41.174 40.800 0.024 0.000 0.955 174 D HN 0.292 nan 8.370 nan 0.000 0.515 175 L N 0.780 122.029 121.223 0.043 0.000 2.505 175 L HA 0.420 4.760 4.340 0.001 0.000 0.266 175 L C -1.824 175.083 176.870 0.060 0.000 0.954 175 L CA -0.462 54.401 54.840 0.037 0.000 0.852 175 L CB 2.109 44.180 42.059 0.019 0.000 1.282 175 L HN -0.236 nan 8.230 nan 0.000 0.403 176 I N 5.204 125.807 120.570 0.055 0.000 2.499 176 I HA 0.628 4.798 4.170 0.001 0.000 0.288 176 I C -0.595 175.533 176.117 0.019 0.000 1.048 176 I CA -0.768 60.574 61.300 0.071 0.000 1.062 176 I CB 1.685 39.721 38.000 0.060 0.000 1.238 176 I HN 0.509 nan 8.210 nan 0.000 0.426 177 R N 4.509 125.021 120.500 0.020 0.000 2.771 177 R HA 0.600 4.940 4.340 0.001 0.000 0.274 177 R C -1.174 175.128 176.300 0.002 0.000 0.987 177 R CA -0.877 55.221 56.100 -0.004 0.000 0.908 177 R CB 2.607 32.902 30.300 -0.008 0.000 1.213 177 R HN 0.807 nan 8.270 nan 0.000 0.468 178 E N 0.668 120.863 120.200 -0.008 0.000 2.331 178 E HA 0.620 4.970 4.350 0.001 0.000 0.275 178 E C -1.405 175.191 176.600 -0.006 0.000 0.895 178 E CA -0.967 55.440 56.400 0.011 0.000 0.753 178 E CB 3.136 32.834 29.700 -0.004 0.000 1.216 178 E HN 0.397 nan 8.360 nan 0.000 0.434 179 K N 1.252 121.660 120.400 0.013 0.000 2.527 179 K HA 0.408 4.728 4.320 0.001 0.000 0.260 179 K C -1.524 175.008 176.600 -0.114 0.000 0.937 179 K CA -0.604 55.615 56.287 -0.113 0.000 0.826 179 K CB 2.613 34.973 32.500 -0.233 0.000 1.359 179 K HN 0.582 nan 8.250 nan 0.000 0.434 180 T N 2.529 116.953 114.554 -0.216 0.000 2.794 180 T HA 0.462 4.812 4.350 0.001 0.000 0.280 180 T C -1.451 173.094 174.700 -0.258 0.000 0.987 180 T CA -0.233 61.812 62.100 -0.090 0.000 0.993 180 T CB 0.259 69.119 68.868 -0.014 0.000 0.939 180 T HN 0.324 nan 8.240 nan 0.000 0.449 181 Y N 1.253 121.589 120.300 0.061 0.000 2.446 181 Y HA 0.562 5.113 4.550 0.001 0.000 0.345 181 Y C 0.818 176.667 175.900 -0.086 0.000 0.984 181 Y CA -1.043 57.044 58.100 -0.022 0.000 1.058 181 Y CB 2.021 40.522 38.460 0.069 0.000 1.220 181 Y HN 0.629 nan 8.280 nan 0.000 0.455 182 T N -0.682 113.786 114.554 -0.143 0.000 2.887 182 T HA 0.782 5.133 4.350 0.001 0.000 0.288 182 T C -1.232 173.185 174.700 -0.472 0.000 1.021 182 T CA -0.794 61.181 62.100 -0.208 0.000 1.000 182 T CB 1.094 69.949 68.868 -0.021 0.000 1.034 182 T HN 0.272 nan 8.240 nan 0.000 0.467 183 F N 1.061 120.889 119.950 -0.204 0.000 2.536 183 F HA 0.689 5.217 4.527 0.001 0.000 0.322 183 F C 0.668 176.406 175.800 -0.103 0.000 1.144 183 F CA -1.143 56.820 58.000 -0.061 0.000 0.924 183 F CB 1.483 40.412 39.000 -0.118 0.000 1.181 183 F HN 1.004 nan 8.300 nan 0.000 0.438 184 A N 2.137 125.104 122.820 0.244 0.000 2.448 184 A HA 0.202 4.522 4.320 0.001 0.000 0.239 184 A C 0.334 178.099 177.584 0.303 0.000 1.080 184 A CA -0.346 51.892 52.037 0.335 0.000 0.779 184 A CB 0.180 19.333 19.000 0.255 0.000 1.026 184 A HN 0.815 nan 8.150 nan 0.000 0.499 185 E N 0.063 120.484 120.200 0.368 0.000 2.338 185 E HA 0.416 4.766 4.350 0.001 0.000 0.272 185 E C -0.393 176.366 176.600 0.265 0.000 1.029 185 E CA -0.410 56.186 56.400 0.327 0.000 0.872 185 E CB 0.584 30.516 29.700 0.386 0.000 1.015 185 E HN 0.598 nan 8.360 nan 0.000 0.417 186 V N 1.587 121.648 119.914 0.246 0.000 3.074 186 V HA 0.578 4.698 4.120 0.001 0.000 0.314 186 V C -0.417 175.803 176.094 0.210 0.000 1.117 186 V CA -1.173 61.290 62.300 0.271 0.000 1.014 186 V CB 1.795 33.733 31.823 0.192 0.000 1.057 186 V HN 0.783 nan 8.190 nan 0.000 0.438 187 N N -0.560 118.216 118.700 0.128 0.000 2.292 187 N HA 0.402 5.143 4.740 0.001 0.000 0.303 187 N C 0.586 176.021 175.510 -0.125 0.000 1.140 187 N CA -0.536 52.492 53.050 -0.037 0.000 0.788 187 N CB 1.933 40.410 38.487 -0.017 0.000 1.361 187 N HN 0.918 nan 8.380 nan 0.000 0.489 188 H N 0.907 119.992 119.070 0.025 0.000 2.389 188 H HA -0.022 4.534 4.556 0.001 0.000 0.299 188 H C 0.513 175.828 175.328 -0.022 0.000 1.081 188 H CA 0.993 57.078 56.048 0.062 0.000 1.345 188 H CB 0.197 30.110 29.762 0.253 0.000 1.393 188 H HN 0.342 nan 8.280 nan 0.000 0.520 189 V N 2.888 122.760 119.914 -0.069 0.000 5.726 189 V HA -0.270 3.850 4.120 0.001 0.000 0.260 189 V C -0.072 175.999 176.094 -0.037 0.000 0.657 189 V CA 1.167 63.334 62.300 -0.222 0.000 0.584 189 V CB -2.793 28.992 31.823 -0.062 0.000 0.241 189 V HN 0.656 nan 8.190 nan 0.000 0.652 190 H N 0.293 119.490 119.070 0.212 0.000 2.815 190 H HA 0.445 5.001 4.556 0.001 0.000 0.350 190 H C 0.996 176.404 175.328 0.132 0.000 1.080 190 H CA -0.532 55.722 56.048 0.343 0.000 1.433 190 H CB 0.394 30.313 29.762 0.262 0.000 1.432 190 H HN 0.156 nan 8.280 nan 0.000 0.592 191 M N 0.545 120.286 119.600 0.235 0.000 2.296 191 M HA -0.059 4.421 4.480 0.001 0.000 0.265 191 M C 0.742 177.075 176.300 0.056 0.000 1.064 191 M CA 0.877 56.232 55.300 0.092 0.000 1.109 191 M CB -0.854 31.785 32.600 0.065 0.000 1.396 191 M HN 0.861 nan 8.290 nan 0.000 0.430 192 E N 1.484 121.752 120.200 0.113 0.000 2.313 192 E HA 0.271 4.622 4.350 0.001 0.000 0.276 192 E C -0.809 175.865 176.600 0.123 0.000 1.031 192 E CA -0.256 56.172 56.400 0.047 0.000 0.857 192 E CB 0.876 30.582 29.700 0.009 0.000 1.040 192 E HN 0.255 nan 8.360 nan 0.000 0.408 193 L N 3.636 124.872 121.223 0.022 0.000 2.436 193 L HA 0.154 4.494 4.340 0.001 0.000 0.265 193 L C 0.689 177.542 176.870 -0.029 0.000 1.168 193 L CA -0.746 54.086 54.840 -0.012 0.000 0.815 193 L CB 0.332 42.359 42.059 -0.053 0.000 1.109 193 L HN 0.578 nan 8.230 nan 0.000 0.462 194 N N 1.483 120.116 118.700 -0.112 0.000 2.454 194 N HA 0.460 5.200 4.740 0.001 0.000 0.254 194 N C -0.432 174.847 175.510 -0.385 0.000 1.228 194 N CA 0.168 53.026 53.050 -0.321 0.000 0.900 194 N CB 1.167 39.192 38.487 -0.770 0.000 1.089 194 N HN 0.725 nan 8.380 nan 0.000 0.449 195 A N 0.759 123.440 122.820 -0.232 0.000 2.599 195 A HA 0.660 4.980 4.320 0.001 0.000 0.294 195 A C -1.074 176.604 177.584 0.157 0.000 1.055 195 A CA -0.666 51.333 52.037 -0.062 0.000 0.683 195 A CB 1.166 20.158 19.000 -0.013 0.000 1.278 195 A HN 0.443 nan 8.150 nan 0.000 0.412 196 T N 1.332 115.984 114.554 0.162 0.000 2.971 196 T HA 0.547 4.898 4.350 0.001 0.000 0.304 196 T C -1.448 173.307 174.700 0.092 0.000 1.038 196 T CA -0.298 61.896 62.100 0.156 0.000 1.007 196 T CB 1.334 70.316 68.868 0.191 0.000 1.055 196 T HN 1.165 nan 8.240 nan 0.000 0.451 197 L N 3.488 124.750 121.223 0.064 0.000 2.294 197 L HA 0.855 5.196 4.340 0.001 0.000 0.283 197 L C -0.529 176.364 176.870 0.039 0.000 1.015 197 L CA -0.504 54.365 54.840 0.049 0.000 0.831 197 L CB 0.493 42.578 42.059 0.042 0.000 1.217 197 L HN 0.781 nan 8.230 nan 0.000 0.420 198 A N 4.676 127.522 122.820 0.043 0.000 2.287 198 A HA 0.590 4.911 4.320 0.001 0.000 0.317 198 A C -0.516 177.103 177.584 0.058 0.000 1.220 198 A CA -0.525 51.538 52.037 0.043 0.000 0.835 198 A CB 0.552 19.577 19.000 0.041 0.000 1.180 198 A HN 0.724 nan 8.150 nan 0.000 0.500 199 E N 2.823 123.056 120.200 0.056 0.000 2.102 199 E HA 0.344 4.695 4.350 0.001 0.000 0.263 199 E C -1.894 174.760 176.600 0.091 0.000 0.894 199 E CA -0.435 56.001 56.400 0.060 0.000 0.746 199 E CB 0.779 30.493 29.700 0.023 0.000 1.129 199 E HN 0.627 nan 8.360 nan 0.000 0.416 200 Y N 4.089 124.387 120.300 -0.004 0.000 2.335 200 Y HA 0.245 4.795 4.550 0.001 0.000 0.339 200 Y C -0.746 175.153 175.900 -0.001 0.000 0.987 200 Y CA -1.021 57.077 58.100 -0.004 0.000 1.140 200 Y CB 1.160 39.619 38.460 -0.002 0.000 1.173 200 Y HN 0.421 nan 8.280 nan 0.000 0.486 201 D N 9.013 129.016 120.400 -0.662 0.000 2.428 201 D HA 0.244 4.884 4.640 0.001 0.000 0.221 201 D C -2.017 173.815 176.300 -0.781 0.000 1.123 201 D CA -2.627 51.076 54.000 -0.495 0.000 0.869 201 D CB 1.659 42.283 40.800 -0.294 0.000 1.032 201 D HN 0.371 nan 8.370 nan 0.000 0.506 202 P HA -0.093 nan 4.420 nan 0.000 0.225 202 P C 1.417 178.641 177.300 -0.127 0.000 1.156 202 P CA 0.213 63.163 63.100 -0.249 0.000 0.787 202 P CB 0.593 32.332 31.700 0.065 0.000 0.802 203 V N 0.978 120.817 119.914 -0.125 0.000 2.427 203 V HA -0.131 3.990 4.120 0.001 0.000 0.248 203 V C 2.434 178.484 176.094 -0.073 0.000 1.051 203 V CA 1.851 64.109 62.300 -0.071 0.000 1.048 203 V CB -1.056 30.731 31.823 -0.060 0.000 0.666 203 V HN 0.142 nan 8.190 nan 0.000 0.456 204 R N -0.567 119.862 120.500 -0.117 0.000 2.365 204 R HA 0.174 4.514 4.340 0.001 0.000 0.223 204 R C 0.383 176.626 176.300 -0.095 0.000 0.899 204 R CA 0.456 56.502 56.100 -0.088 0.000 1.059 204 R CB 0.159 30.408 30.300 -0.084 0.000 1.086 204 R HN 0.473 nan 8.270 nan 0.000 0.522 205 D N 1.072 121.365 120.400 -0.179 0.000 2.828 205 D HA -0.157 4.484 4.640 0.001 0.000 0.241 205 D C -0.878 175.382 176.300 -0.067 0.000 1.142 205 D CA 0.839 54.776 54.000 -0.104 0.000 0.755 205 D CB -0.268 40.584 40.800 0.086 0.000 1.014 205 D HN 0.028 nan 8.370 nan 0.000 0.420 206 M N 0.983 120.443 119.600 -0.234 0.000 2.518 206 M HA 0.571 5.051 4.480 0.001 0.000 0.300 206 M C -0.634 175.624 176.300 -0.070 0.000 1.175 206 M CA -1.098 54.149 55.300 -0.088 0.000 0.890 206 M CB 1.716 34.263 32.600 -0.089 0.000 1.710 206 M HN 0.234 nan 8.290 nan 0.000 0.453 207 L N 1.745 122.998 121.223 0.051 0.000 2.385 207 L HA 0.729 5.070 4.340 0.001 0.000 0.273 207 L C -0.956 175.919 176.870 0.008 0.000 0.990 207 L CA 0.314 55.212 54.840 0.095 0.000 0.821 207 L CB 2.129 44.286 42.059 0.163 0.000 1.279 207 L HN 0.742 nan 8.230 nan 0.000 0.412 208 T N 6.038 120.594 114.554 0.002 0.000 2.812 208 T HA 0.650 5.001 4.350 0.001 0.000 0.282 208 T C -0.669 174.019 174.700 -0.020 0.000 0.990 208 T CA -0.336 61.748 62.100 -0.027 0.000 0.960 208 T CB 1.017 69.872 68.868 -0.022 0.000 0.948 208 T HN 0.447 nan 8.240 nan 0.000 0.438 209 L N 3.535 124.730 121.223 -0.046 0.000 2.346 209 L HA 0.588 4.929 4.340 0.001 0.000 0.276 209 L C -0.000 176.854 176.870 -0.026 0.000 1.006 209 L CA -0.983 53.837 54.840 -0.033 0.000 0.817 209 L CB 1.617 43.642 42.059 -0.057 0.000 1.272 209 L HN 0.487 nan 8.230 nan 0.000 0.421 210 N N 1.058 119.756 118.700 -0.002 0.000 2.407 210 N HA 0.489 5.230 4.740 0.001 0.000 0.277 210 N C -1.101 174.424 175.510 0.025 0.000 0.995 210 N CA -0.108 52.946 53.050 0.006 0.000 0.903 210 N CB 2.643 41.140 38.487 0.017 0.000 1.218 210 N HN 0.552 nan 8.380 nan 0.000 0.487 211 T N -0.628 113.939 114.554 0.022 0.000 2.853 211 T HA 0.246 4.596 4.350 0.001 0.000 0.311 211 T C -0.627 174.106 174.700 0.055 0.000 1.307 211 T CA -0.544 61.588 62.100 0.054 0.000 1.019 211 T CB 0.988 69.869 68.868 0.021 0.000 1.264 211 T HN 0.420 nan 8.240 nan 0.000 0.497 212 T N 1.217 115.837 114.554 0.109 0.000 3.781 212 T HA 0.468 4.819 4.350 0.001 0.000 0.286 212 T C 0.202 174.917 174.700 0.025 0.000 1.277 212 T CA -0.401 61.742 62.100 0.070 0.000 1.136 212 T CB -0.554 68.364 68.868 0.084 0.000 1.202 212 T HN 0.572 nan 8.240 nan 0.000 0.884 213 T N 1.474 116.016 114.554 -0.021 0.000 2.906 213 T HA 0.359 4.710 4.350 0.001 0.000 0.295 213 T C 0.489 175.149 174.700 -0.067 0.000 1.061 213 T CA -0.697 61.373 62.100 -0.049 0.000 1.000 213 T CB 2.031 70.870 68.868 -0.048 0.000 1.103 213 T HN 0.494 nan 8.240 nan 0.000 0.486 214 Q N 1.197 120.955 119.800 -0.070 0.000 2.356 214 Q HA 0.235 4.576 4.340 0.001 0.000 0.205 214 Q C 0.455 176.426 176.000 -0.049 0.000 0.901 214 Q CA 0.098 55.861 55.803 -0.067 0.000 0.938 214 Q CB 0.754 29.454 28.738 -0.062 0.000 1.081 214 Q HN 0.533 nan 8.270 nan 0.000 0.517 215 V N -2.455 117.426 119.914 -0.056 0.000 2.405 215 V HA 0.280 4.400 4.120 0.001 0.000 0.253 215 V C -2.302 173.763 176.094 -0.047 0.000 0.963 215 V CA -1.601 60.629 62.300 -0.117 0.000 1.003 215 V CB 0.643 32.312 31.823 -0.257 0.000 1.251 215 V HN -0.090 nan 8.190 nan 0.000 0.520 216 P HA -0.221 nan 4.420 nan 0.000 0.219 216 P C 1.366 178.756 177.300 0.150 0.000 1.146 216 P CA 1.497 64.624 63.100 0.044 0.000 0.808 216 P CB 0.269 31.987 31.700 0.029 0.000 0.779 217 Y N -0.141 120.163 120.300 0.008 0.000 2.133 217 Y HA -0.262 4.289 4.550 0.001 0.000 0.287 217 Y C 2.452 178.454 175.900 0.170 0.000 1.134 217 Y CA 1.394 59.536 58.100 0.069 0.000 1.133 217 Y CB -0.750 37.724 38.460 0.023 0.000 0.987 217 Y HN -0.229 nan 8.280 nan 0.000 0.502 218 Y N -0.118 120.113 120.300 -0.116 0.000 2.207 218 Y HA -0.217 4.333 4.550 0.001 0.000 0.287 218 Y C 2.646 178.434 175.900 -0.188 0.000 1.156 218 Y CA 0.886 58.832 58.100 -0.257 0.000 1.182 218 Y CB -1.279 37.117 38.460 -0.107 0.000 0.979 218 Y HN 0.085 nan 8.280 nan 0.000 0.521 219 V N -0.497 119.448 119.914 0.052 0.000 2.343 219 V HA -0.283 3.837 4.120 0.001 0.000 0.247 219 V C 2.460 178.544 176.094 -0.017 0.000 1.051 219 V CA 2.116 64.391 62.300 -0.043 0.000 1.036 219 V CB -0.699 31.084 31.823 -0.066 0.000 0.654 219 V HN 0.408 nan 8.190 nan 0.000 0.451 220 H N 0.240 119.272 119.070 -0.062 0.000 2.319 220 H HA -0.108 4.449 4.556 0.001 0.000 0.299 220 H C 2.176 177.446 175.328 -0.098 0.000 1.092 220 H CA 2.030 58.048 56.048 -0.049 0.000 1.302 220 H CB -0.221 29.553 29.762 0.019 0.000 1.373 220 H HN 0.332 nan 8.280 nan 0.000 0.497 221 L N 0.181 121.387 121.223 -0.028 0.000 2.017 221 L HA -0.172 4.168 4.340 0.001 0.000 0.208 221 L C 2.654 179.462 176.870 -0.104 0.000 1.073 221 L CA 1.222 55.970 54.840 -0.153 0.000 0.745 221 L CB -0.312 41.510 42.059 -0.395 0.000 0.894 221 L HN 0.091 nan 8.230 nan 0.000 0.432 222 K N -0.093 120.235 120.400 -0.119 0.000 2.103 222 K HA -0.036 4.284 4.320 0.001 0.000 0.204 222 K C 2.123 178.651 176.600 -0.120 0.000 1.052 222 K CA 0.882 57.092 56.287 -0.128 0.000 0.945 222 K CB -0.647 31.727 32.500 -0.210 0.000 0.722 222 K HN 0.144 nan 8.250 nan 0.000 0.443 223 V N 1.722 121.572 119.914 -0.108 0.000 2.307 223 V HA -0.213 3.908 4.120 0.001 0.000 0.245 223 V C 2.466 178.539 176.094 -0.034 0.000 1.045 223 V CA 1.916 64.162 62.300 -0.090 0.000 1.024 223 V CB -0.813 30.955 31.823 -0.092 0.000 0.651 223 V HN 0.265 nan 8.190 nan 0.000 0.449 224 A N 0.048 122.873 122.820 0.007 0.000 1.877 224 A HA -0.144 4.176 4.320 0.001 0.000 0.216 224 A C 2.422 180.010 177.584 0.007 0.000 1.186 224 A CA 2.286 54.341 52.037 0.030 0.000 0.620 224 A CB -0.857 18.183 19.000 0.068 0.000 0.822 224 A HN 0.565 nan 8.150 nan 0.000 0.443 225 A N -1.099 121.715 122.820 -0.010 0.000 1.873 225 A HA -0.151 4.169 4.320 0.001 0.000 0.215 225 A C 2.304 179.895 177.584 0.013 0.000 1.186 225 A CA 1.683 53.718 52.037 -0.004 0.000 0.616 225 A CB -1.253 17.738 19.000 -0.016 0.000 0.823 225 A HN 0.612 nan 8.150 nan 0.000 0.442 226 C N -0.673 118.631 119.300 0.008 0.000 2.435 226 C HA 0.071 4.532 4.460 0.001 0.000 0.279 226 C C 2.254 177.260 174.990 0.026 0.000 1.321 226 C CA 0.699 59.738 59.018 0.035 0.000 1.752 226 C CB -1.245 26.509 27.740 0.024 0.000 1.959 226 C HN 0.571 nan 8.230 nan 0.000 0.500 227 L N -0.227 120.997 121.223 0.001 0.000 2.607 227 L HA 0.090 4.431 4.340 0.001 0.000 0.228 227 L C 0.557 177.429 176.870 0.003 0.000 1.123 227 L CA 0.404 55.240 54.840 -0.006 0.000 0.890 227 L CB -0.638 41.405 42.059 -0.027 0.000 1.103 227 L HN 0.423 nan 8.230 nan 0.000 0.468 228 Q N 0.663 120.471 119.800 0.014 0.000 2.452 228 Q HA -0.192 4.148 4.340 0.001 0.000 0.318 228 Q C -0.216 175.796 176.000 0.020 0.000 1.386 228 Q CA 0.752 56.566 55.803 0.018 0.000 0.872 228 Q CB -1.097 27.653 28.738 0.019 0.000 1.151 228 Q HN 0.469 nan 8.270 nan 0.000 0.417 229 M N 0.650 120.265 119.600 0.025 0.000 2.326 229 M HA 0.282 4.762 4.480 0.001 0.000 0.306 229 M C -0.583 175.745 176.300 0.047 0.000 1.054 229 M CA -0.748 54.575 55.300 0.039 0.000 0.922 229 M CB 1.480 34.106 32.600 0.043 0.000 1.632 229 M HN 0.156 nan 8.290 nan 0.000 0.436 230 D N 1.512 121.942 120.400 0.050 0.000 2.488 230 D HA -0.021 4.619 4.640 0.001 0.000 0.238 230 D C 1.084 177.429 176.300 0.077 0.000 1.138 230 D CA 0.774 54.804 54.000 0.051 0.000 0.873 230 D CB 1.105 41.932 40.800 0.045 0.000 1.183 230 D HN 0.633 nan 8.370 nan 0.000 0.458 231 S N 2.655 118.402 115.700 0.079 0.000 2.419 231 S HA -0.225 4.245 4.470 0.001 0.000 0.235 231 S C 1.888 176.600 174.600 0.187 0.000 1.019 231 S CA 0.677 58.964 58.200 0.146 0.000 0.982 231 S CB -0.282 62.931 63.200 0.022 0.000 0.789 231 S HN 0.530 nan 8.310 nan 0.000 0.490 232 A N 1.284 124.164 122.820 0.100 0.000 2.239 232 A HA 0.198 4.518 4.320 0.001 0.000 0.209 232 A C 2.091 179.727 177.584 0.086 0.000 1.171 232 A CA 0.329 52.419 52.037 0.088 0.000 0.768 232 A CB -0.333 18.697 19.000 0.051 0.000 0.790 232 A HN 0.567 nan 8.150 nan 0.000 0.478 233 R N -0.942 119.612 120.500 0.090 0.000 2.397 233 R HA 0.397 4.737 4.340 0.001 0.000 0.241 233 R C -0.669 175.666 176.300 0.058 0.000 0.914 233 R CA 0.084 56.224 56.100 0.066 0.000 1.071 233 R CB 0.362 30.705 30.300 0.072 0.000 1.116 233 R HN 0.410 nan 8.270 nan 0.000 0.524 234 I N 0.630 121.244 120.570 0.073 0.000 2.509 234 I HA 0.350 4.520 4.170 0.001 0.000 0.293 234 I C -0.376 175.651 176.117 -0.149 0.000 1.020 234 I CA -0.938 60.337 61.300 -0.043 0.000 1.088 234 I CB 2.086 40.034 38.000 -0.087 0.000 1.267 234 I HN -0.133 nan 8.210 nan 0.000 0.430 235 R N 5.408 125.799 120.500 -0.183 0.000 2.513 235 R HA 0.723 5.064 4.340 0.001 0.000 0.301 235 R C -1.929 174.248 176.300 -0.205 0.000 0.968 235 R CA -0.496 55.515 56.100 -0.149 0.000 0.872 235 R CB 1.954 32.226 30.300 -0.047 0.000 1.177 235 R HN 0.459 nan 8.270 nan 0.000 0.444 236 V N 6.595 126.382 119.914 -0.213 0.000 2.495 236 V HA 0.516 4.637 4.120 0.001 0.000 0.298 236 V C -0.189 175.874 176.094 -0.052 0.000 1.031 236 V CA -0.633 61.583 62.300 -0.141 0.000 0.871 236 V CB 1.786 33.519 31.823 -0.150 0.000 0.988 236 V HN 0.678 nan 8.190 nan 0.000 0.432 237 I N 4.383 124.926 120.570 -0.045 0.000 2.498 237 I HA 0.471 4.642 4.170 0.001 0.000 0.290 237 I C -0.271 175.823 176.117 -0.038 0.000 1.032 237 I CA -0.618 60.661 61.300 -0.036 0.000 1.073 237 I CB 2.064 40.045 38.000 -0.032 0.000 1.251 237 I HN 0.478 nan 8.210 nan 0.000 0.426 238 K N 8.335 128.704 120.400 -0.052 0.000 2.281 238 K HA 0.481 4.801 4.320 0.001 0.000 0.272 238 K C -2.449 174.094 176.600 -0.096 0.000 1.048 238 K CA -1.473 54.776 56.287 -0.063 0.000 0.898 238 K CB 1.430 33.885 32.500 -0.075 0.000 1.128 238 K HN 0.280 nan 8.250 nan 0.000 0.460 239 P HA 0.126 nan 4.420 nan 0.000 0.341 239 P C -0.145 177.042 177.300 -0.188 0.000 1.332 239 P CA -0.432 62.611 63.100 -0.096 0.000 0.769 239 P CB 0.327 32.024 31.700 -0.004 0.000 1.726 240 F N -1.016 118.754 119.950 -0.299 0.000 2.506 240 F HA 0.183 4.710 4.527 0.001 0.000 0.351 240 F C 0.952 176.586 175.800 -0.277 0.000 1.136 240 F CA 0.364 58.071 58.000 -0.489 0.000 1.298 240 F CB 0.068 38.387 39.000 -1.135 0.000 1.145 240 F HN -0.003 nan 8.300 nan 0.000 0.593 241 L N 2.364 123.635 121.223 0.081 0.000 2.356 241 L HA 0.548 4.888 4.340 0.001 0.000 0.277 241 L C 0.301 177.375 176.870 0.340 0.000 0.996 241 L CA -0.156 54.807 54.840 0.204 0.000 0.822 241 L CB 1.815 43.879 42.059 0.008 0.000 1.256 241 L HN 0.598 nan 8.230 nan 0.000 0.413 242 G N 3.360 112.355 108.800 0.325 0.000 3.455 242 G HA2 0.482 4.442 3.960 0.001 0.000 0.250 242 G HA3 0.482 4.442 3.960 0.001 0.000 0.250 242 G C 0.526 175.464 174.900 0.063 0.000 1.071 242 G CA 0.386 45.587 45.100 0.170 0.000 1.812 242 G HN 1.238 nan 8.290 nan 0.000 0.643 243 G N -0.938 107.831 108.800 -0.051 0.000 2.760 243 G HA2 0.352 4.312 3.960 0.001 0.000 0.246 243 G HA3 0.352 4.312 3.960 0.001 0.000 0.246 243 G C 0.646 175.265 174.900 -0.468 0.000 1.359 243 G CA 0.027 44.923 45.100 -0.340 0.000 0.861 243 G HN 1.516 nan 8.290 nan 0.000 0.541 244 G N -3.166 105.140 108.800 -0.822 0.000 4.167 244 G HA2 0.484 4.445 3.960 0.001 0.000 0.201 244 G HA3 0.484 4.445 3.960 0.001 0.000 0.201 244 G C 0.710 175.493 174.900 -0.195 0.000 1.186 244 G CA 0.806 45.621 45.100 -0.475 0.000 0.979 244 G HN 1.952 nan 8.290 nan 0.000 0.460 245 F N 0.755 120.729 119.950 0.040 0.000 3.093 245 F HA -0.112 4.416 4.527 0.001 0.000 0.283 245 F C 1.952 177.815 175.800 0.105 0.000 0.848 245 F CA 1.569 59.622 58.000 0.088 0.000 1.059 245 F CB -1.641 37.464 39.000 0.175 0.000 1.191 245 F HN 1.542 nan 8.300 nan 0.000 0.514 246 G N -1.783 107.047 108.800 0.050 0.000 2.391 246 G HA2 0.010 3.971 3.960 0.001 0.000 0.204 246 G HA3 0.010 3.971 3.960 0.001 0.000 0.204 246 G C 1.134 175.943 174.900 -0.153 0.000 1.012 246 G CA 0.436 45.534 45.100 -0.004 0.000 0.651 246 G HN 1.280 nan 8.290 nan 0.000 0.494 247 A N 0.590 123.064 122.820 -0.577 0.000 1.948 247 A HA 0.051 4.371 4.320 0.001 0.000 0.220 247 A C 1.972 179.442 177.584 -0.190 0.000 1.177 247 A CA 2.122 53.734 52.037 -0.707 0.000 0.636 247 A CB -0.314 18.271 19.000 -0.692 0.000 0.815 247 A HN 0.550 nan 8.150 nan 0.000 0.449 248 R N -0.249 120.152 120.500 -0.164 0.000 2.694 248 R HA 0.135 4.475 4.340 0.001 0.000 0.334 248 R C 0.496 176.793 176.300 -0.006 0.000 1.143 248 R CA 0.625 56.678 56.100 -0.079 0.000 1.073 248 R CB -0.061 30.150 30.300 -0.149 0.000 1.366 248 R HN 0.534 nan 8.270 nan 0.000 0.577 249 T N -1.992 112.604 114.554 0.070 0.000 3.244 249 T HA 0.102 4.453 4.350 0.001 0.000 0.254 249 T C 0.077 174.984 174.700 0.345 0.000 1.024 249 T CA -0.454 61.754 62.100 0.180 0.000 0.920 249 T CB -0.277 68.710 68.868 0.198 0.000 1.042 249 T HN 0.377 nan 8.240 nan 0.000 0.572 250 E N 0.005 120.349 120.200 0.241 0.000 2.366 250 E HA 0.661 5.012 4.350 0.001 0.000 0.278 250 E C -1.096 175.547 176.600 0.073 0.000 0.923 250 E CA -1.583 54.938 56.400 0.201 0.000 0.761 250 E CB 1.507 31.297 29.700 0.150 0.000 1.231 250 E HN 0.090 nan 8.360 nan 0.000 0.443 251 A N 3.186 126.013 122.820 0.012 0.000 2.492 251 A HA 0.373 4.694 4.320 0.001 0.000 0.254 251 A C -0.251 177.168 177.584 -0.275 0.000 1.091 251 A CA -0.230 51.708 52.037 -0.165 0.000 0.768 251 A CB -0.095 18.768 19.000 -0.229 0.000 1.028 251 A HN 0.540 nan 8.150 nan 0.000 0.498 252 L N 2.196 123.157 121.223 -0.438 0.000 2.343 252 L HA 0.343 4.684 4.340 0.001 0.000 0.275 252 L C 1.597 178.026 176.870 -0.734 0.000 1.056 252 L CA -0.698 53.820 54.840 -0.538 0.000 0.804 252 L CB 1.326 42.933 42.059 -0.752 0.000 1.203 252 L HN 1.054 nan 8.230 nan 0.000 0.440 253 H N 0.954 119.847 119.070 -0.295 0.000 2.353 253 H HA -0.274 4.282 4.556 0.001 0.000 0.298 253 H C 1.646 176.868 175.328 -0.175 0.000 1.103 253 H CA 2.237 58.184 56.048 -0.169 0.000 1.293 253 H CB -0.798 29.083 29.762 0.198 0.000 1.372 253 H HN 0.610 nan 8.280 nan 0.000 0.501 254 F N 1.294 121.064 119.950 -0.299 0.000 2.269 254 F HA 0.029 4.556 4.527 0.001 0.000 0.301 254 F C 1.740 177.492 175.800 -0.079 0.000 1.082 254 F CA 0.886 58.834 58.000 -0.086 0.000 1.360 254 F CB -0.410 38.522 39.000 -0.115 0.000 1.041 254 F HN 0.216 nan 8.300 nan 0.000 0.512 255 E N 1.449 121.251 120.200 -0.663 0.000 2.072 255 E HA -0.098 4.253 4.350 0.001 0.000 0.190 255 E C 2.300 178.770 176.600 -0.218 0.000 0.982 255 E CA 1.516 57.703 56.400 -0.355 0.000 0.803 255 E CB -0.341 29.075 29.700 -0.474 0.000 0.755 255 E HN 0.512 nan 8.360 nan 0.000 0.453 256 I N 1.266 121.666 120.570 -0.284 0.000 2.252 256 I HA -0.244 3.926 4.170 0.001 0.000 0.245 256 I C 2.434 178.503 176.117 -0.080 0.000 1.102 256 I CA 1.041 62.221 61.300 -0.200 0.000 1.385 256 I CB -0.232 37.591 38.000 -0.294 0.000 1.064 256 I HN 0.054 nan 8.210 nan 0.000 0.414 257 I N 0.904 121.461 120.570 -0.023 0.000 2.264 257 I HA -0.303 3.868 4.170 0.001 0.000 0.248 257 I C 2.815 178.953 176.117 0.036 0.000 1.111 257 I CA 1.329 62.655 61.300 0.044 0.000 1.382 257 I CB -0.507 37.567 38.000 0.123 0.000 1.060 257 I HN 0.197 nan 8.210 nan 0.000 0.418 258 A N 0.982 123.827 122.820 0.042 0.000 1.883 258 A HA -0.157 4.163 4.320 0.001 0.000 0.217 258 A C 2.462 180.055 177.584 0.014 0.000 1.186 258 A CA 2.036 54.101 52.037 0.047 0.000 0.624 258 A CB -1.494 17.547 19.000 0.069 0.000 0.822 258 A HN 0.458 nan 8.150 nan 0.000 0.444 259 G N -0.419 108.373 108.800 -0.013 0.000 2.422 259 G HA2 -0.124 3.836 3.960 0.001 0.000 0.218 259 G HA3 -0.124 3.836 3.960 0.001 0.000 0.218 259 G C 1.503 176.371 174.900 -0.055 0.000 1.146 259 G CA 1.167 46.252 45.100 -0.025 0.000 0.769 259 G HN 0.490 nan 8.290 nan 0.000 0.547 260 L N 0.376 121.570 121.223 -0.048 0.000 2.017 260 L HA 0.055 4.395 4.340 0.001 0.000 0.208 260 L C 2.728 179.559 176.870 -0.066 0.000 1.073 260 L CA 1.463 56.267 54.840 -0.060 0.000 0.745 260 L CB -0.383 41.664 42.059 -0.021 0.000 0.894 260 L HN 0.208 nan 8.230 nan 0.000 0.432 261 L N -0.760 120.447 121.223 -0.027 0.000 2.046 261 L HA -0.177 4.163 4.340 0.001 0.000 0.208 261 L C 2.702 179.556 176.870 -0.026 0.000 1.077 261 L CA 1.154 55.985 54.840 -0.015 0.000 0.747 261 L CB -0.968 41.100 42.059 0.016 0.000 0.896 261 L HN 0.390 nan 8.230 nan 0.000 0.432 262 A N 0.154 122.965 122.820 -0.016 0.000 1.883 262 A HA -0.270 4.050 4.320 0.001 0.000 0.217 262 A C 2.434 179.979 177.584 -0.064 0.000 1.186 262 A CA 1.994 54.043 52.037 0.020 0.000 0.624 262 A CB -0.615 18.430 19.000 0.075 0.000 0.822 262 A HN 0.353 nan 8.150 nan 0.000 0.444 263 R N -0.493 119.825 120.500 -0.303 0.000 2.073 263 R HA -0.192 4.149 4.340 0.001 0.000 0.234 263 R C 2.222 178.290 176.300 -0.387 0.000 1.134 263 R CA 2.003 57.618 56.100 -0.808 0.000 0.952 263 R CB -0.216 29.598 30.300 -0.809 0.000 0.850 263 R HN 0.371 nan 8.270 nan 0.000 0.433 264 K N 0.262 120.543 120.400 -0.199 0.000 2.057 264 K HA -0.055 4.265 4.320 0.001 0.000 0.207 264 K C 1.615 178.189 176.600 -0.043 0.000 1.049 264 K CA 1.778 58.006 56.287 -0.099 0.000 0.931 264 K CB -0.251 32.213 32.500 -0.061 0.000 0.714 264 K HN 0.294 nan 8.250 nan 0.000 0.440 265 A N 0.292 123.100 122.820 -0.020 0.000 2.167 265 A HA 0.054 4.374 4.320 0.001 0.000 0.214 265 A C 0.056 177.677 177.584 0.063 0.000 1.151 265 A CA 0.801 52.851 52.037 0.022 0.000 0.735 265 A CB -0.331 18.686 19.000 0.029 0.000 0.802 265 A HN 0.421 nan 8.150 nan 0.000 0.467 266 K N -1.601 118.859 120.400 0.100 0.000 3.117 266 K HA -0.185 4.136 4.320 0.001 0.000 0.269 266 K C 0.536 177.268 176.600 0.219 0.000 1.098 266 K CA 0.346 56.783 56.287 0.250 0.000 0.785 266 K CB -2.008 30.591 32.500 0.165 0.000 1.242 266 K HN 0.833 nan 8.250 nan 0.000 0.491 267 G N -0.903 108.019 108.800 0.204 0.000 2.827 267 G HA2 0.446 4.406 3.960 0.001 0.000 0.202 267 G HA3 0.446 4.406 3.960 0.001 0.000 0.202 267 G C -1.233 173.740 174.900 0.122 0.000 1.185 267 G CA -0.360 44.817 45.100 0.129 0.000 0.920 267 G HN -0.025 nan 8.290 nan 0.000 0.550 268 T N 0.309 114.909 114.554 0.076 0.000 2.797 268 T HA 0.632 4.983 4.350 0.001 0.000 0.279 268 T C -0.869 173.863 174.700 0.054 0.000 0.991 268 T CA -0.203 61.935 62.100 0.064 0.000 0.979 268 T CB 1.712 70.606 68.868 0.045 0.000 0.943 268 T HN 0.454 nan 8.240 nan 0.000 0.444 269 V N 3.528 123.474 119.914 0.054 0.000 2.638 269 V HA 0.540 4.661 4.120 0.001 0.000 0.306 269 V C -0.117 176.006 176.094 0.047 0.000 1.052 269 V CA -1.008 61.320 62.300 0.047 0.000 0.885 269 V CB 1.982 33.832 31.823 0.045 0.000 0.999 269 V HN 0.738 nan 8.190 nan 0.000 0.424 270 R N 4.289 124.815 120.500 0.043 0.000 2.246 270 R HA 0.559 4.900 4.340 0.001 0.000 0.332 270 R C -1.502 174.824 176.300 0.045 0.000 0.974 270 R CA -0.696 55.430 56.100 0.043 0.000 0.837 270 R CB 1.090 31.411 30.300 0.035 0.000 1.145 270 R HN 0.536 nan 8.270 nan 0.000 0.467 271 L N 7.096 128.353 121.223 0.058 0.000 2.297 271 L HA 0.379 4.719 4.340 0.001 0.000 0.277 271 L C -1.156 175.728 176.870 0.022 0.000 1.040 271 L CA -0.396 54.479 54.840 0.059 0.000 0.867 271 L CB 0.921 43.044 42.059 0.106 0.000 1.244 271 L HN 0.628 nan 8.230 nan 0.000 0.433 272 L N 3.806 125.027 121.223 -0.004 0.000 2.399 272 L HA 0.524 4.864 4.340 0.001 0.000 0.265 272 L C -0.014 176.806 176.870 -0.083 0.000 1.089 272 L CA -0.723 54.090 54.840 -0.045 0.000 0.802 272 L CB 1.250 43.296 42.059 -0.022 0.000 1.180 272 L HN 0.498 nan 8.230 nan 0.000 0.454 273 Q N 0.564 120.280 119.800 -0.141 0.000 2.394 273 Q HA 0.384 4.724 4.340 0.001 0.000 0.273 273 Q C -0.339 175.611 176.000 -0.084 0.000 1.089 273 Q CA -0.548 55.168 55.803 -0.146 0.000 0.812 273 Q CB 2.446 30.994 28.738 -0.316 0.000 1.353 273 Q HN 0.784 nan 8.270 nan 0.000 0.438 274 T N -1.658 112.874 114.554 -0.036 0.000 2.770 274 T HA 0.270 4.620 4.350 0.001 0.000 0.281 274 T C 1.055 175.749 174.700 -0.009 0.000 0.981 274 T CA -0.456 61.638 62.100 -0.010 0.000 0.955 274 T CB 1.066 69.945 68.868 0.018 0.000 1.060 274 T HN 0.543 nan 8.240 nan 0.000 0.531 275 R N 0.335 120.843 120.500 0.014 0.000 2.092 275 R HA -0.048 4.292 4.340 0.001 0.000 0.231 275 R C 2.273 178.655 176.300 0.136 0.000 1.119 275 R CA 2.046 58.156 56.100 0.017 0.000 0.970 275 R CB -1.051 29.287 30.300 0.063 0.000 0.864 275 R HN 0.919 nan 8.270 nan 0.000 0.440 276 E N 0.472 120.770 120.200 0.165 0.000 2.051 276 E HA -0.222 4.128 4.350 0.001 0.000 0.192 276 E C 1.466 178.178 176.600 0.187 0.000 0.991 276 E CA 1.553 58.073 56.400 0.201 0.000 0.799 276 E CB -0.055 29.699 29.700 0.091 0.000 0.748 276 E HN 0.544 nan 8.360 nan 0.000 0.449 277 E N -0.474 119.797 120.200 0.118 0.000 2.204 277 E HA -0.127 4.224 4.350 0.001 0.000 0.195 277 E C 1.989 178.666 176.600 0.128 0.000 0.990 277 E CA 1.392 57.871 56.400 0.132 0.000 0.821 277 E CB 0.056 29.803 29.700 0.078 0.000 0.750 277 E HN 0.273 nan 8.360 nan 0.000 0.477 278 T N 0.397 114.972 114.554 0.035 0.000 2.857 278 T HA -0.086 4.264 4.350 0.001 0.000 0.266 278 T C 1.437 176.145 174.700 0.014 0.000 1.048 278 T CA 0.780 62.858 62.100 -0.037 0.000 1.139 278 T CB -0.264 68.491 68.868 -0.188 0.000 0.874 278 T HN 0.134 nan 8.240 nan 0.000 0.455 279 F N 0.888 120.875 119.950 0.061 0.000 2.171 279 F HA 0.045 4.573 4.527 0.001 0.000 0.300 279 F C 2.103 178.017 175.800 0.189 0.000 1.090 279 F CA 0.754 58.808 58.000 0.089 0.000 1.293 279 F CB -0.388 38.599 39.000 -0.021 0.000 1.013 279 F HN 0.115 nan 8.300 nan 0.000 0.486 280 I N -0.474 120.325 120.570 0.382 0.000 2.315 280 I HA -0.292 3.879 4.170 0.001 0.000 0.248 280 I C 2.632 179.018 176.117 0.448 0.000 1.117 280 I CA 1.005 62.544 61.300 0.398 0.000 1.404 280 I CB -0.685 37.542 38.000 0.379 0.000 1.071 280 I HN 0.090 nan 8.210 nan 0.000 0.419 281 A N -0.300 122.786 122.820 0.444 0.000 1.908 281 A HA -0.294 4.026 4.320 0.001 0.000 0.218 281 A C 1.498 179.352 177.584 0.451 0.000 1.181 281 A CA 2.166 54.497 52.037 0.489 0.000 0.627 281 A CB -0.595 18.647 19.000 0.404 0.000 0.818 281 A HN 0.661 nan 8.150 nan 0.000 0.445 282 H N -1.848 117.402 119.070 0.301 0.000 1.452 282 H HA -0.332 4.225 4.556 0.001 0.000 0.090 282 H C 0.495 176.050 175.328 0.379 0.000 0.942 282 H CA 3.051 59.291 56.048 0.321 0.000 1.901 282 H CB -0.534 29.405 29.762 0.296 0.000 2.257 282 H HN 0.586 nan 8.280 nan 0.000 0.961 283 R N -1.189 119.293 120.500 -0.029 0.000 3.654 283 R HA -0.075 4.265 4.340 0.001 0.000 0.302 283 R C 0.720 176.985 176.300 -0.060 0.000 1.166 283 R CA 1.287 57.386 56.100 -0.001 0.000 0.810 283 R CB -2.651 27.753 30.300 0.173 0.000 1.323 283 R HN 0.826 nan 8.270 nan 0.000 0.478 284 G N 0.060 108.364 108.800 -0.827 0.000 2.509 284 G HA2 0.403 4.363 3.960 0.001 0.000 0.269 284 G HA3 0.403 4.363 3.960 0.001 0.000 0.269 284 G C -0.307 174.430 174.900 -0.272 0.000 1.416 284 G CA -0.697 44.019 45.100 -0.639 0.000 1.052 284 G HN 0.156 nan 8.290 nan 0.000 0.542 285 R N 1.236 121.655 120.500 -0.134 0.000 2.316 285 R HA 0.211 4.551 4.340 0.001 0.000 0.314 285 R C -2.079 174.301 176.300 0.134 0.000 1.069 285 R CA -1.271 54.830 56.100 0.001 0.000 0.959 285 R CB 0.826 31.112 30.300 -0.023 0.000 0.987 285 R HN 0.283 nan 8.270 nan 0.000 0.446 286 P HA -0.105 nan 4.420 nan 0.000 0.272 286 P C -0.784 176.682 177.300 0.276 0.000 1.223 286 P CA -0.374 62.880 63.100 0.256 0.000 0.784 286 P CB 0.521 32.361 31.700 0.232 0.000 0.923 287 W N 3.552 124.966 121.300 0.190 0.000 2.257 287 W HA 0.145 4.806 4.660 0.001 0.000 0.337 287 W C -0.858 175.783 176.519 0.205 0.000 1.321 287 W CA 1.244 58.709 57.345 0.201 0.000 1.267 287 W CB 0.146 29.713 29.460 0.180 0.000 1.187 287 W HN 0.245 nan 8.180 nan 0.000 0.565 288 T N 6.356 120.543 114.554 -0.611 0.000 2.921 288 T HA 0.153 4.504 4.350 0.001 0.000 0.297 288 T C -1.319 172.973 174.700 -0.679 0.000 1.013 288 T CA -0.767 61.045 62.100 -0.480 0.000 0.990 288 T CB 1.516 70.291 68.868 -0.155 0.000 1.023 288 T HN 0.477 nan 8.240 nan 0.000 0.447 289 E N 2.572 122.451 120.200 -0.535 0.000 2.151 289 E HA 0.584 4.934 4.350 0.001 0.000 0.275 289 E C -1.329 175.319 176.600 0.079 0.000 0.936 289 E CA -0.668 55.602 56.400 -0.216 0.000 0.777 289 E CB 0.916 30.597 29.700 -0.033 0.000 1.108 289 E HN 0.321 nan 8.360 nan 0.000 0.401 290 V N 5.432 125.474 119.914 0.214 0.000 2.444 290 V HA 0.288 4.409 4.120 0.001 0.000 0.294 290 V C -0.282 175.987 176.094 0.292 0.000 1.022 290 V CA -0.847 61.612 62.300 0.266 0.000 0.850 290 V CB 1.625 33.633 31.823 0.308 0.000 0.992 290 V HN 0.607 nan 8.190 nan 0.000 0.426 291 K N 4.636 125.182 120.400 0.243 0.000 2.234 291 K HA 0.617 4.937 4.320 0.001 0.000 0.277 291 K C -0.894 175.846 176.600 0.233 0.000 1.038 291 K CA -0.695 55.719 56.287 0.212 0.000 0.888 291 K CB 1.118 33.718 32.500 0.168 0.000 1.091 291 K HN 0.601 nan 8.250 nan 0.000 0.467 292 M N 4.742 124.492 119.600 0.250 0.000 2.167 292 M HA 0.282 4.762 4.480 0.001 0.000 0.333 292 M C -1.393 175.006 176.300 0.165 0.000 1.030 292 M CA -0.268 55.171 55.300 0.232 0.000 0.963 292 M CB 1.135 33.902 32.600 0.279 0.000 1.589 292 M HN 0.458 nan 8.290 nan 0.000 0.431 293 K N 6.084 126.585 120.400 0.169 0.000 2.502 293 K HA 0.626 4.946 4.320 0.001 0.000 0.254 293 K C -1.855 174.899 176.600 0.256 0.000 0.947 293 K CA -0.336 56.041 56.287 0.150 0.000 0.834 293 K CB 0.986 33.537 32.500 0.085 0.000 1.112 293 K HN 0.827 nan 8.250 nan 0.000 0.427 294 I N 2.846 123.521 120.570 0.175 0.000 2.465 294 I HA 0.369 4.540 4.170 0.001 0.000 0.291 294 I C 0.185 176.438 176.117 0.225 0.000 1.014 294 I CA -1.077 60.306 61.300 0.139 0.000 1.093 294 I CB 2.188 40.112 38.000 -0.126 0.000 1.267 294 I HN 0.725 nan 8.210 nan 0.000 0.431 295 G N 7.062 115.997 108.800 0.224 0.000 2.368 295 G HA2 0.737 4.697 3.960 0.001 0.000 0.320 295 G HA3 0.737 4.697 3.960 0.001 0.000 0.320 295 G C -0.907 174.002 174.900 0.014 0.000 1.158 295 G CA -0.342 44.869 45.100 0.185 0.000 0.912 295 G HN 0.404 nan 8.290 nan 0.000 0.456 296 L N 1.497 122.734 121.223 0.022 0.000 2.301 296 L HA 0.604 4.945 4.340 0.001 0.000 0.264 296 L C -0.074 176.800 176.870 0.006 0.000 1.016 296 L CA -1.361 53.473 54.840 -0.010 0.000 0.821 296 L CB 2.287 44.331 42.059 -0.026 0.000 1.346 296 L HN 0.247 nan 8.230 nan 0.000 0.429 297 K N 0.641 121.041 120.400 -0.000 0.000 2.090 297 K HA 0.298 4.618 4.320 0.001 0.000 0.249 297 K C 0.538 177.142 176.600 0.008 0.000 0.995 297 K CA -0.560 55.732 56.287 0.008 0.000 0.914 297 K CB 1.262 33.767 32.500 0.009 0.000 1.057 297 K HN 0.430 nan 8.250 nan 0.000 0.462 298 K N 0.830 121.237 120.400 0.012 0.000 2.211 298 K HA -0.173 4.148 4.320 0.001 0.000 0.204 298 K C 0.982 177.588 176.600 0.010 0.000 1.047 298 K CA 1.867 58.161 56.287 0.011 0.000 0.935 298 K CB 0.022 32.529 32.500 0.013 0.000 0.728 298 K HN 0.558 nan 8.250 nan 0.000 0.452 299 D N -1.036 119.370 120.400 0.010 0.000 2.349 299 D HA -0.008 4.633 4.640 0.001 0.000 0.224 299 D C 1.174 177.479 176.300 0.008 0.000 1.029 299 D CA 0.923 54.929 54.000 0.011 0.000 0.879 299 D CB 0.277 41.085 40.800 0.013 0.000 0.906 299 D HN 0.280 nan 8.370 nan 0.000 0.528 300 G N -0.277 108.524 108.800 0.001 0.000 2.232 300 G HA2 -0.247 3.713 3.960 0.001 0.000 0.226 300 G HA3 -0.247 3.713 3.960 0.001 0.000 0.226 300 G C 0.260 175.149 174.900 -0.019 0.000 0.996 300 G CA -0.148 44.946 45.100 -0.010 0.000 0.626 300 G HN 0.297 nan 8.290 nan 0.000 0.509 301 K N 0.822 121.220 120.400 -0.004 0.000 2.436 301 K HA 0.324 4.644 4.320 0.001 0.000 0.275 301 K C 0.843 177.431 176.600 -0.020 0.000 0.999 301 K CA -0.039 56.249 56.287 0.001 0.000 0.980 301 K CB 0.814 33.327 32.500 0.022 0.000 0.919 301 K HN 0.415 nan 8.250 nan 0.000 0.484 302 I N 1.871 122.422 120.570 -0.031 0.000 2.474 302 I HA -0.031 4.140 4.170 0.001 0.000 0.287 302 I C 1.207 177.285 176.117 -0.065 0.000 1.048 302 I CA 0.180 61.446 61.300 -0.058 0.000 1.383 302 I CB 1.377 39.340 38.000 -0.060 0.000 1.412 302 I HN 0.689 nan 8.210 nan 0.000 0.531 303 A N 4.998 127.761 122.820 -0.095 0.000 2.013 303 A HA 0.758 5.078 4.320 0.001 0.000 0.204 303 A C 0.718 178.157 177.584 -0.242 0.000 1.262 303 A CA 0.670 52.633 52.037 -0.124 0.000 0.800 303 A CB 0.312 19.259 19.000 -0.089 0.000 0.909 303 A HN 0.760 nan 8.150 nan 0.000 0.472 304 A N -1.315 121.289 122.820 -0.360 0.000 2.610 304 A HA 0.662 4.982 4.320 0.001 0.000 0.291 304 A C -1.940 175.388 177.584 -0.426 0.000 1.086 304 A CA -0.326 51.345 52.037 -0.610 0.000 0.677 304 A CB 0.893 19.011 19.000 -1.469 0.000 1.278 304 A HN 1.253 nan 8.150 nan 0.000 0.414 305 L N 0.193 121.270 121.223 -0.243 0.000 2.493 305 L HA 0.895 5.235 4.340 0.001 0.000 0.265 305 L C -0.671 176.350 176.870 0.252 0.000 0.954 305 L CA 0.161 55.067 54.840 0.109 0.000 0.844 305 L CB 1.842 44.002 42.059 0.169 0.000 1.302 305 L HN 1.756 nan 8.230 nan 0.000 0.405 306 A N 5.846 128.910 122.820 0.407 0.000 2.381 306 A HA 0.823 5.144 4.320 0.001 0.000 0.299 306 A C -1.534 176.222 177.584 0.287 0.000 1.049 306 A CA -0.444 51.811 52.037 0.364 0.000 0.715 306 A CB 1.190 20.442 19.000 0.419 0.000 1.222 306 A HN 1.227 nan 8.150 nan 0.000 0.428 307 L N -0.742 120.644 121.223 0.272 0.000 2.393 307 L HA 0.941 5.282 4.340 0.001 0.000 0.260 307 L C -0.861 176.160 176.870 0.250 0.000 1.002 307 L CA -0.659 54.338 54.840 0.261 0.000 0.818 307 L CB 2.258 44.478 42.059 0.268 0.000 1.369 307 L HN 0.605 nan 8.230 nan 0.000 0.412 308 E N 1.603 121.953 120.200 0.249 0.000 2.248 308 E HA 0.781 5.131 4.350 0.001 0.000 0.267 308 E C -1.221 175.546 176.600 0.278 0.000 0.877 308 E CA -1.097 55.472 56.400 0.281 0.000 0.759 308 E CB 2.541 32.468 29.700 0.379 0.000 1.182 308 E HN 0.855 nan 8.360 nan 0.000 0.418 309 A N 2.073 125.056 122.820 0.270 0.000 2.381 309 A HA 0.599 4.919 4.320 0.001 0.000 0.299 309 A C -0.791 176.983 177.584 0.317 0.000 1.049 309 A CA -0.636 51.543 52.037 0.236 0.000 0.715 309 A CB 1.549 20.651 19.000 0.171 0.000 1.222 309 A HN 0.443 nan 8.150 nan 0.000 0.428 310 T N 2.556 117.285 114.554 0.291 0.000 2.807 310 T HA 0.563 4.913 4.350 0.001 0.000 0.279 310 T C -0.485 174.377 174.700 0.271 0.000 0.993 310 T CA -0.273 62.032 62.100 0.342 0.000 0.970 310 T CB 1.276 70.340 68.868 0.326 0.000 0.950 310 T HN 0.677 nan 8.240 nan 0.000 0.441 311 Q N 1.262 121.231 119.800 0.281 0.000 2.337 311 Q HA 0.670 5.010 4.340 0.001 0.000 0.266 311 Q C -0.806 175.393 176.000 0.331 0.000 1.023 311 Q CA -0.947 55.024 55.803 0.281 0.000 0.829 311 Q CB 2.289 31.143 28.738 0.194 0.000 1.306 311 Q HN 0.806 nan 8.270 nan 0.000 0.449 312 A N 1.465 124.546 122.820 0.435 0.000 2.316 312 A HA 0.492 4.812 4.320 0.001 0.000 0.311 312 A C 0.912 178.651 177.584 0.259 0.000 1.339 312 A CA -0.155 52.076 52.037 0.324 0.000 0.960 312 A CB -0.022 19.174 19.000 0.328 0.000 1.152 312 A HN 0.935 nan 8.150 nan 0.000 0.547 313 G N 1.599 110.518 108.800 0.198 0.000 3.042 313 G HA2 0.489 4.449 3.960 0.001 0.000 0.212 313 G HA3 0.489 4.449 3.960 0.001 0.000 0.212 313 G C 0.915 175.939 174.900 0.208 0.000 1.166 313 G CA 0.686 45.900 45.100 0.189 0.000 0.767 313 G HN 2.016 nan 8.290 nan 0.000 0.546 314 G N -1.015 107.893 108.800 0.179 0.000 2.725 314 G HA2 0.219 4.179 3.960 0.001 0.000 0.220 314 G HA3 0.219 4.179 3.960 0.001 0.000 0.220 314 G C 0.923 175.927 174.900 0.174 0.000 1.357 314 G CA -0.056 45.122 45.100 0.130 0.000 0.866 314 G HN 1.093 nan 8.290 nan 0.000 0.548 315 A N -1.151 121.712 122.820 0.070 0.000 2.169 315 A HA 0.594 4.915 4.320 0.001 0.000 0.212 315 A C 0.600 178.020 177.584 -0.274 0.000 1.153 315 A CA 1.571 53.559 52.037 -0.081 0.000 0.756 315 A CB -0.010 18.967 19.000 -0.039 0.000 0.813 315 A HN 1.047 nan 8.150 nan 0.000 0.471 316 Y N -3.655 116.790 120.300 0.242 0.000 2.609 316 Y HA 0.542 5.093 4.550 0.001 0.000 0.342 316 Y C 1.312 177.394 175.900 0.305 0.000 1.058 316 Y CA -0.583 57.645 58.100 0.213 0.000 1.055 316 Y CB 1.370 39.867 38.460 0.061 0.000 1.292 316 Y HN 0.007 nan 8.280 nan 0.000 0.476 317 A N 1.638 124.665 122.820 0.344 0.000 1.849 317 A HA 0.166 4.486 4.320 0.001 0.000 0.217 317 A C 1.877 179.545 177.584 0.140 0.000 1.202 317 A CA 2.210 54.378 52.037 0.219 0.000 0.629 317 A CB -1.503 17.535 19.000 0.062 0.000 0.834 317 A HN 1.572 nan 8.150 nan 0.000 0.447 318 G N -1.745 107.099 108.800 0.072 0.000 2.634 318 G HA2 -0.383 3.578 3.960 0.001 0.000 0.309 318 G HA3 -0.383 3.578 3.960 0.001 0.000 0.309 318 G C 0.625 175.528 174.900 0.004 0.000 1.265 318 G CA 1.005 46.129 45.100 0.039 0.000 0.998 318 G HN 0.725 nan 8.290 nan 0.000 0.551 319 Y N 2.776 123.133 120.300 0.094 0.000 2.529 319 Y HA 0.219 4.770 4.550 0.001 0.000 0.290 319 Y C 2.838 178.833 175.900 0.158 0.000 1.177 319 Y CA 1.021 59.203 58.100 0.137 0.000 1.305 319 Y CB -0.217 38.356 38.460 0.188 0.000 1.047 319 Y HN 0.663 nan 8.280 nan 0.000 0.522 320 G N 1.106 110.052 108.800 0.244 0.000 2.624 320 G HA2 -0.348 3.613 3.960 0.001 0.000 0.221 320 G HA3 -0.348 3.613 3.960 0.001 0.000 0.221 320 G C 1.642 176.610 174.900 0.114 0.000 1.169 320 G CA 1.740 46.935 45.100 0.159 0.000 0.771 320 G HN 0.455 nan 8.290 nan 0.000 0.598 321 I N 0.460 121.070 120.570 0.067 0.000 2.163 321 I HA -0.172 3.999 4.170 0.001 0.000 0.243 321 I C 2.743 178.891 176.117 0.053 0.000 1.085 321 I CA 0.953 62.272 61.300 0.030 0.000 1.347 321 I CB -0.214 37.784 38.000 -0.003 0.000 1.044 321 I HN 0.190 nan 8.210 nan 0.000 0.408 322 I N 0.188 120.828 120.570 0.117 0.000 2.252 322 I HA -0.267 3.903 4.170 0.001 0.000 0.245 322 I C 2.528 178.676 176.117 0.052 0.000 1.102 322 I CA 1.592 62.942 61.300 0.083 0.000 1.385 322 I CB -0.584 37.580 38.000 0.274 0.000 1.064 322 I HN 0.278 nan 8.210 nan 0.000 0.414 323 T N 1.052 115.719 114.554 0.189 0.000 2.684 323 T HA -0.215 4.136 4.350 0.001 0.000 0.267 323 T C 1.912 176.681 174.700 0.116 0.000 1.036 323 T CA 1.446 63.640 62.100 0.157 0.000 1.148 323 T CB -0.333 68.734 68.868 0.333 0.000 0.863 323 T HN 0.180 nan 8.240 nan 0.000 0.436 324 I N 0.714 121.342 120.570 0.097 0.000 2.394 324 I HA -0.001 4.170 4.170 0.001 0.000 0.251 324 I C 2.005 178.173 176.117 0.085 0.000 1.136 324 I CA 0.935 62.282 61.300 0.077 0.000 1.425 324 I CB -0.319 37.701 38.000 0.033 0.000 1.079 324 I HN 0.201 nan 8.210 nan 0.000 0.425 325 L N -1.268 119.977 121.223 0.037 0.000 2.083 325 L HA -0.249 4.091 4.340 0.001 0.000 0.209 325 L C 2.283 179.133 176.870 -0.033 0.000 1.083 325 L CA 1.446 56.298 54.840 0.019 0.000 0.752 325 L CB -0.730 41.293 42.059 -0.061 0.000 0.899 325 L HN 0.251 nan 8.230 nan 0.000 0.433 326 Y N 0.278 120.526 120.300 -0.087 0.000 2.333 326 Y HA -0.268 4.283 4.550 0.001 0.000 0.290 326 Y C 2.931 178.741 175.900 -0.151 0.000 1.144 326 Y CA 1.341 59.345 58.100 -0.161 0.000 1.228 326 Y CB -0.278 38.049 38.460 -0.222 0.000 0.985 326 Y HN 0.370 nan 8.280 nan 0.000 0.542 327 T N -3.682 110.918 114.554 0.076 0.000 2.897 327 T HA -0.124 4.227 4.350 0.001 0.000 0.271 327 T C 1.883 176.505 174.700 -0.130 0.000 1.084 327 T CA 1.287 63.408 62.100 0.035 0.000 1.123 327 T CB -0.489 68.469 68.868 0.150 0.000 0.865 327 T HN 0.387 nan 8.240 nan 0.000 0.496 328 G N 0.016 108.571 108.800 -0.409 0.000 2.747 328 G HA2 0.474 4.434 3.960 0.001 0.000 0.202 328 G HA3 0.474 4.434 3.960 0.001 0.000 0.202 328 G C 1.773 176.370 174.900 -0.505 0.000 1.090 328 G CA 0.392 44.961 45.100 -0.886 0.000 0.779 328 G HN 0.598 nan 8.290 nan 0.000 0.535 329 A N 0.692 123.227 122.820 -0.474 0.000 1.948 329 A HA 0.034 4.354 4.320 0.001 0.000 0.220 329 A C 1.827 179.116 177.584 -0.492 0.000 1.177 329 A CA 1.119 52.667 52.037 -0.816 0.000 0.636 329 A CB -0.276 18.332 19.000 -0.654 0.000 0.815 329 A HN 0.314 nan 8.150 nan 0.000 0.449 330 L N -0.505 120.564 121.223 -0.256 0.000 2.783 330 L HA 0.237 4.578 4.340 0.001 0.000 0.236 330 L C 1.601 178.398 176.870 -0.123 0.000 1.225 330 L CA 0.211 54.950 54.840 -0.168 0.000 1.026 330 L CB 0.234 42.166 42.059 -0.212 0.000 1.314 330 L HN 0.263 nan 8.230 nan 0.000 0.489 331 M N -1.493 117.951 119.600 -0.260 0.000 2.506 331 M HA 0.086 4.567 4.480 0.001 0.000 0.260 331 M C 0.312 176.318 176.300 -0.491 0.000 1.104 331 M CA 0.620 55.679 55.300 -0.402 0.000 1.112 331 M CB -0.688 31.655 32.600 -0.428 0.000 1.401 331 M HN 0.215 nan 8.290 nan 0.000 0.473 332 H N -1.251 117.645 119.070 -0.290 0.000 2.508 332 H HA 0.542 5.099 4.556 0.001 0.000 0.344 332 H C 1.253 176.457 175.328 -0.208 0.000 1.192 332 H CA 0.435 56.343 56.048 -0.233 0.000 1.290 332 H CB 0.710 30.337 29.762 -0.224 0.000 1.571 332 H HN 0.311 nan 8.280 nan 0.000 0.555 333 G N 0.217 108.983 108.800 -0.057 0.000 2.199 333 G HA2 -0.296 3.665 3.960 0.001 0.000 0.254 333 G HA3 -0.296 3.665 3.960 0.001 0.000 0.254 333 G C 0.613 175.336 174.900 -0.295 0.000 0.982 333 G CA 0.787 45.760 45.100 -0.212 0.000 0.632 333 G HN 0.523 nan 8.290 nan 0.000 0.529 334 L N -1.316 119.627 121.223 -0.466 0.000 2.435 334 L HA 0.637 4.977 4.340 0.001 0.000 0.195 334 L C 0.639 177.159 176.870 -0.583 0.000 1.072 334 L CA 0.487 54.945 54.840 -0.636 0.000 0.833 334 L CB 0.228 41.597 42.059 -1.149 0.000 1.081 334 L HN 0.186 nan 8.230 nan 0.000 0.485 335 Y N -1.004 119.127 120.300 -0.281 0.000 2.549 335 Y HA 0.452 5.003 4.550 0.001 0.000 0.339 335 Y C -0.469 175.304 175.900 -0.212 0.000 1.053 335 Y CA -1.095 56.886 58.100 -0.197 0.000 1.105 335 Y CB 0.656 39.030 38.460 -0.143 0.000 1.258 335 Y HN 0.042 nan 8.280 nan 0.000 0.478 336 H N 2.726 121.772 119.070 -0.040 0.000 2.800 336 H HA 0.497 5.054 4.556 0.001 0.000 0.291 336 H C -1.234 174.118 175.328 0.040 0.000 1.076 336 H CA -0.166 55.855 56.048 -0.045 0.000 1.452 336 H CB -0.064 29.684 29.762 -0.023 0.000 1.461 336 H HN 0.542 nan 8.280 nan 0.000 0.488 337 I N 8.327 128.609 120.570 -0.481 0.000 2.410 337 I HA 0.185 4.355 4.170 0.001 0.000 0.286 337 I C -1.676 174.196 176.117 -0.409 0.000 1.009 337 I CA -2.239 58.847 61.300 -0.356 0.000 1.111 337 I CB 2.286 40.177 38.000 -0.181 0.000 1.262 337 I HN 0.582 nan 8.210 nan 0.000 0.443 338 P HA -0.121 nan 4.420 nan 0.000 0.215 338 P C -0.081 177.181 177.300 -0.062 0.000 1.157 338 P CA 0.984 63.988 63.100 -0.161 0.000 0.874 338 P CB 0.348 31.994 31.700 -0.090 0.000 0.790 339 A N -1.369 121.404 122.820 -0.079 0.000 2.520 339 A HA 0.694 5.015 4.320 0.001 0.000 0.298 339 A C -1.333 176.254 177.584 0.004 0.000 1.051 339 A CA -0.446 51.590 52.037 -0.002 0.000 0.690 339 A CB 1.000 19.983 19.000 -0.028 0.000 1.281 339 A HN -0.078 nan 8.150 nan 0.000 0.402 340 I N 1.218 121.878 120.570 0.151 0.000 2.569 340 I HA 0.419 4.589 4.170 0.001 0.000 0.290 340 I C -0.398 175.909 176.117 0.317 0.000 1.088 340 I CA -0.486 60.927 61.300 0.188 0.000 1.047 340 I CB 2.441 40.501 38.000 0.099 0.000 1.237 340 I HN 0.714 nan 8.210 nan 0.000 0.421 341 K N 5.505 126.070 120.400 0.275 0.000 2.244 341 K HA 0.451 4.771 4.320 0.001 0.000 0.260 341 K C -1.260 175.538 176.600 0.329 0.000 0.951 341 K CA -0.562 55.893 56.287 0.280 0.000 0.826 341 K CB 1.339 33.989 32.500 0.250 0.000 1.108 341 K HN 0.669 nan 8.250 nan 0.000 0.433 342 H N 3.788 122.971 119.070 0.189 0.000 2.744 342 H HA 0.287 4.843 4.556 0.001 0.000 0.339 342 H C -1.556 173.787 175.328 0.024 0.000 1.004 342 H CA -0.682 55.447 56.048 0.136 0.000 1.257 342 H CB 1.374 31.253 29.762 0.194 0.000 1.552 342 H HN 0.697 nan 8.280 nan 0.000 0.522 343 D N 3.330 123.485 120.400 -0.409 0.000 2.649 343 D HA 0.563 5.204 4.640 0.001 0.000 0.249 343 D C -1.033 174.705 176.300 -0.936 0.000 1.112 343 D CA -0.369 53.227 54.000 -0.674 0.000 0.850 343 D CB 2.395 43.066 40.800 -0.214 0.000 1.399 343 D HN 0.691 nan 8.370 nan 0.000 0.503 344 A N 2.067 124.076 122.820 -1.352 0.000 2.594 344 A HA 0.673 4.993 4.320 0.001 0.000 0.295 344 A C -1.891 175.144 177.584 -0.914 0.000 1.071 344 A CA -0.862 50.682 52.037 -0.822 0.000 0.685 344 A CB 1.922 20.676 19.000 -0.409 0.000 1.285 344 A HN 0.465 nan 8.150 nan 0.000 0.405 345 W N 1.060 122.320 121.300 -0.066 0.000 2.781 345 W HA 0.545 5.205 4.660 0.001 0.000 0.333 345 W C -0.183 176.338 176.519 0.002 0.000 1.047 345 W CA -0.748 56.578 57.345 -0.031 0.000 1.236 345 W CB 2.164 31.632 29.460 0.014 0.000 1.394 345 W HN 0.803 nan 8.180 nan 0.000 0.466 346 R N 2.248 122.834 120.500 0.143 0.000 2.239 346 R HA 0.537 4.877 4.340 0.001 0.000 0.332 346 R C -1.517 174.796 176.300 0.021 0.000 0.988 346 R CA -0.203 55.942 56.100 0.076 0.000 0.859 346 R CB 0.636 30.936 30.300 0.001 0.000 1.148 346 R HN 0.215 nan 8.270 nan 0.000 0.482 347 V N 5.933 125.891 119.914 0.073 0.000 2.459 347 V HA 0.363 4.483 4.120 0.001 0.000 0.295 347 V C -0.432 175.701 176.094 0.065 0.000 1.029 347 V CA -0.902 61.429 62.300 0.051 0.000 0.874 347 V CB 1.109 33.003 31.823 0.118 0.000 0.985 347 V HN 0.584 nan 8.190 nan 0.000 0.438 348 Y N 2.942 123.296 120.300 0.089 0.000 2.497 348 Y HA 0.450 5.000 4.550 0.001 0.000 0.334 348 Y C 1.076 176.999 175.900 0.038 0.000 1.199 348 Y CA 0.013 58.151 58.100 0.063 0.000 1.425 348 Y CB 0.888 39.382 38.460 0.056 0.000 1.291 348 Y HN 0.823 nan 8.280 nan 0.000 0.562 349 T N -1.368 113.306 114.554 0.200 0.000 2.896 349 T HA 0.371 4.722 4.350 0.001 0.000 0.297 349 T C -0.462 174.238 174.700 -0.000 0.000 1.108 349 T CA -1.339 60.816 62.100 0.092 0.000 1.004 349 T CB 1.000 69.899 68.868 0.052 0.000 1.159 349 T HN 0.466 nan 8.240 nan 0.000 0.499 350 N N 1.638 120.310 118.700 -0.047 0.000 3.243 350 N HA 0.323 5.064 4.740 0.001 0.000 0.310 350 N C -0.072 175.394 175.510 -0.072 0.000 1.313 350 N CA -0.251 52.741 53.050 -0.097 0.000 1.204 350 N CB 0.112 38.510 38.487 -0.147 0.000 1.483 350 N HN 0.838 nan 8.380 nan 0.000 0.553 351 T N -3.781 110.703 114.554 -0.116 0.000 2.883 351 T HA 0.481 4.831 4.350 0.001 0.000 0.296 351 T C -3.049 171.515 174.700 -0.227 0.000 1.117 351 T CA -2.594 59.337 62.100 -0.283 0.000 1.006 351 T CB 1.881 70.325 68.868 -0.706 0.000 1.191 351 T HN -0.267 nan 8.240 nan 0.000 0.508 352 P HA 0.184 nan 4.420 nan 0.000 0.263 352 P C -2.486 174.783 177.300 -0.050 0.000 1.175 352 P CA -0.480 62.389 63.100 -0.385 0.000 0.761 352 P CB -0.611 31.105 31.700 0.027 0.000 0.794 353 P HA -0.026 nan 4.420 nan 0.000 0.265 353 P C -0.101 177.343 177.300 0.240 0.000 1.193 353 P CA 0.333 63.525 63.100 0.153 0.000 0.765 353 P CB 0.299 32.119 31.700 0.200 0.000 0.823 354 C N 2.549 121.981 119.300 0.221 0.000 2.396 354 C HA 0.820 5.280 4.460 0.001 0.000 0.359 354 C C 1.372 176.431 174.990 0.115 0.000 1.307 354 C CA 0.714 59.802 59.018 0.116 0.000 2.392 354 C CB 0.548 28.397 27.740 0.181 0.000 2.245 354 C HN 0.809 nan 8.230 nan 0.000 0.615 355 G N -0.618 108.214 108.800 0.053 0.000 2.635 355 G HA2 0.592 4.552 3.960 0.001 0.000 0.194 355 G HA3 0.592 4.552 3.960 0.001 0.000 0.194 355 G C -1.455 173.361 174.900 -0.141 0.000 1.198 355 G CA 0.282 45.444 45.100 0.104 0.000 0.972 355 G HN 1.061 nan 8.290 nan 0.000 0.520 356 A N -0.064 122.493 122.820 -0.437 0.000 2.328 356 A HA 0.748 5.069 4.320 0.001 0.000 0.284 356 A C -0.242 177.207 177.584 -0.225 0.000 1.160 356 A CA 0.078 51.573 52.037 -0.904 0.000 0.818 356 A CB 0.509 18.746 19.000 -1.273 0.000 1.087 356 A HN 1.080 nan 8.150 nan 0.000 0.504 357 M N 2.711 122.201 119.600 -0.184 0.000 2.324 357 M HA 0.416 4.896 4.480 0.001 0.000 0.288 357 M C -0.052 176.200 176.300 -0.080 0.000 1.097 357 M CA -0.537 54.749 55.300 -0.022 0.000 0.928 357 M CB 1.607 34.100 32.600 -0.178 0.000 1.648 357 M HN 0.828 nan 8.290 nan 0.000 0.460 358 R N 2.996 123.484 120.500 -0.020 0.000 3.651 358 R HA -0.092 4.249 4.340 0.001 0.000 0.201 358 R C 0.698 176.824 176.300 -0.289 0.000 0.627 358 R CA 2.325 58.349 56.100 -0.126 0.000 0.952 358 R CB -0.656 29.640 30.300 -0.008 0.000 1.005 358 R HN 1.095 nan 8.270 nan 0.000 0.327 359 G N 2.772 111.206 108.800 -0.610 0.000 2.144 359 G HA2 -0.300 3.660 3.960 0.001 0.000 0.218 359 G HA3 -0.300 3.660 3.960 0.001 0.000 0.218 359 G C -0.151 174.489 174.900 -0.432 0.000 0.988 359 G CA 0.074 44.715 45.100 -0.766 0.000 0.659 359 G HN 0.998 nan 8.290 nan 0.000 0.522 360 H N 0.260 119.047 119.070 -0.471 0.000 2.967 360 H HA 0.116 4.672 4.556 0.001 0.000 0.214 360 H C 1.838 177.011 175.328 -0.259 0.000 0.684 360 H CA 2.424 58.302 56.048 -0.283 0.000 1.492 360 H CB -0.739 28.876 29.762 -0.245 0.000 1.373 360 H HN 1.812 nan 8.280 nan 0.000 0.430 361 G N 3.249 112.074 108.800 0.042 0.000 2.220 361 G HA2 -0.375 3.585 3.960 0.001 0.000 0.269 361 G HA3 -0.375 3.585 3.960 0.001 0.000 0.269 361 G C 1.238 176.110 174.900 -0.048 0.000 0.977 361 G CA 1.367 46.459 45.100 -0.014 0.000 0.634 361 G HN 1.131 nan 8.290 nan 0.000 0.539 362 T N -2.430 112.074 114.554 -0.083 0.000 3.023 362 T HA 0.451 4.801 4.350 0.001 0.000 0.253 362 T C 2.128 176.759 174.700 -0.116 0.000 1.038 362 T CA 1.273 63.332 62.100 -0.068 0.000 0.962 362 T CB 0.482 69.345 68.868 -0.009 0.000 1.018 362 T HN 0.382 nan 8.240 nan 0.000 0.521 363 V N 2.517 122.334 119.914 -0.161 0.000 2.270 363 V HA -0.124 3.997 4.120 0.001 0.000 0.245 363 V C 2.506 178.369 176.094 -0.385 0.000 1.043 363 V CA 2.181 64.349 62.300 -0.220 0.000 1.014 363 V CB -0.564 31.132 31.823 -0.211 0.000 0.645 363 V HN 0.442 nan 8.190 nan 0.000 0.447 364 D N 0.502 120.560 120.400 -0.570 0.000 2.097 364 D HA -0.137 4.503 4.640 0.001 0.000 0.197 364 D C 2.414 178.245 176.300 -0.782 0.000 0.984 364 D CA 2.122 55.413 54.000 -1.183 0.000 0.826 364 D CB -0.750 39.246 40.800 -1.341 0.000 0.973 364 D HN 0.614 nan 8.370 nan 0.000 0.460 365 T N -0.572 113.755 114.554 -0.378 0.000 2.788 365 T HA -0.192 4.159 4.350 0.001 0.000 0.268 365 T C 1.999 176.638 174.700 -0.102 0.000 1.044 365 T CA 1.303 63.308 62.100 -0.158 0.000 1.139 365 T CB -0.108 68.725 68.868 -0.057 0.000 0.867 365 T HN -0.064 nan 8.240 nan 0.000 0.454 366 R N 2.551 122.973 120.500 -0.129 0.000 2.073 366 R HA 0.168 4.508 4.340 0.001 0.000 0.234 366 R C 2.565 178.842 176.300 -0.038 0.000 1.134 366 R CA 1.870 57.938 56.100 -0.054 0.000 0.952 366 R CB -1.341 28.929 30.300 -0.050 0.000 0.850 366 R HN 0.472 nan 8.270 nan 0.000 0.433 367 A N 0.379 123.104 122.820 -0.157 0.000 1.877 367 A HA -0.036 4.285 4.320 0.001 0.000 0.216 367 A C 2.431 179.896 177.584 -0.200 0.000 1.186 367 A CA 1.985 53.927 52.037 -0.158 0.000 0.620 367 A CB -1.186 17.670 19.000 -0.240 0.000 0.822 367 A HN 0.523 nan 8.150 nan 0.000 0.443 368 A N -1.208 121.475 122.820 -0.229 0.000 1.877 368 A HA -0.080 4.240 4.320 0.001 0.000 0.216 368 A C 2.109 179.517 177.584 -0.294 0.000 1.186 368 A CA 1.635 53.347 52.037 -0.541 0.000 0.620 368 A CB -0.784 18.107 19.000 -0.182 0.000 0.822 368 A HN 0.694 nan 8.150 nan 0.000 0.443 369 F N 0.811 120.657 119.950 -0.172 0.000 2.102 369 F HA -0.180 4.347 4.527 0.001 0.000 0.298 369 F C 2.376 178.127 175.800 -0.082 0.000 1.105 369 F CA 2.124 60.075 58.000 -0.082 0.000 1.239 369 F CB -0.002 38.975 39.000 -0.037 0.000 0.991 369 F HN 0.215 nan 8.300 nan 0.000 0.474 370 E N 0.648 120.967 120.200 0.198 0.000 2.077 370 E HA -0.206 4.145 4.350 0.001 0.000 0.193 370 E C 2.401 178.986 176.600 -0.026 0.000 0.989 370 E CA 1.164 57.639 56.400 0.126 0.000 0.800 370 E CB -0.858 28.919 29.700 0.128 0.000 0.746 370 E HN 0.524 nan 8.360 nan 0.000 0.452 371 A N 1.232 123.979 122.820 -0.121 0.000 1.877 371 A HA -0.149 4.171 4.320 0.001 0.000 0.216 371 A C 2.267 179.832 177.584 -0.032 0.000 1.186 371 A CA 1.221 53.184 52.037 -0.125 0.000 0.620 371 A CB -0.615 18.140 19.000 -0.407 0.000 0.822 371 A HN 0.225 nan 8.150 nan 0.000 0.443 372 L N -0.833 120.351 121.223 -0.065 0.000 2.056 372 L HA -0.084 4.256 4.340 0.001 0.000 0.207 372 L C 2.265 179.047 176.870 -0.146 0.000 1.078 372 L CA 1.819 56.640 54.840 -0.032 0.000 0.749 372 L CB -0.554 41.487 42.059 -0.029 0.000 0.901 372 L HN 0.382 nan 8.230 nan 0.000 0.433 373 L N -1.149 119.902 121.223 -0.285 0.000 2.046 373 L HA -0.198 4.143 4.340 0.001 0.000 0.208 373 L C 2.302 179.095 176.870 -0.129 0.000 1.077 373 L CA 2.389 57.053 54.840 -0.294 0.000 0.747 373 L CB -1.015 40.811 42.059 -0.388 0.000 0.896 373 L HN 0.288 nan 8.230 nan 0.000 0.432 374 T N -0.835 113.682 114.554 -0.061 0.000 2.777 374 T HA -0.211 4.140 4.350 0.001 0.000 0.266 374 T C 1.743 176.442 174.700 -0.001 0.000 1.040 374 T CA 1.543 63.648 62.100 0.009 0.000 1.141 374 T CB -0.140 68.772 68.868 0.075 0.000 0.868 374 T HN 0.515 nan 8.240 nan 0.000 0.444 375 E N 0.531 120.718 120.200 -0.022 0.000 2.077 375 E HA -0.106 4.245 4.350 0.001 0.000 0.193 375 E C 2.179 178.750 176.600 -0.049 0.000 0.989 375 E CA 0.993 57.358 56.400 -0.058 0.000 0.800 375 E CB -0.132 29.540 29.700 -0.046 0.000 0.746 375 E HN 0.469 nan 8.360 nan 0.000 0.452 376 M N -0.141 119.430 119.600 -0.049 0.000 2.132 376 M HA -0.056 4.424 4.480 0.001 0.000 0.263 376 M C 2.388 178.671 176.300 -0.027 0.000 1.065 376 M CA 1.487 56.762 55.300 -0.042 0.000 1.122 376 M CB -0.284 32.279 32.600 -0.062 0.000 1.365 376 M HN 0.253 nan 8.290 nan 0.000 0.411 377 G N -0.069 108.716 108.800 -0.026 0.000 2.448 377 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 377 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 377 G C 1.350 176.262 174.900 0.020 0.000 1.127 377 G CA 0.956 46.054 45.100 -0.003 0.000 0.766 377 G HN 0.584 nan 8.290 nan 0.000 0.552 378 E N 0.294 120.507 120.200 0.021 0.000 2.072 378 E HA -0.116 4.234 4.350 0.001 0.000 0.190 378 E C 2.186 178.804 176.600 0.029 0.000 0.982 378 E CA 0.962 57.385 56.400 0.039 0.000 0.803 378 E CB -0.211 29.514 29.700 0.042 0.000 0.755 378 E HN 0.582 nan 8.360 nan 0.000 0.453 379 E N 0.193 120.399 120.200 0.010 0.000 2.204 379 E HA -0.138 4.213 4.350 0.001 0.000 0.195 379 E C 1.879 178.487 176.600 0.013 0.000 0.990 379 E CA 0.651 57.057 56.400 0.010 0.000 0.821 379 E CB 0.081 29.780 29.700 -0.002 0.000 0.750 379 E HN 0.348 nan 8.360 nan 0.000 0.477 380 L N -0.835 120.395 121.223 0.012 0.000 2.591 380 L HA 0.191 4.531 4.340 0.001 0.000 0.228 380 L C 1.383 178.264 176.870 0.020 0.000 1.133 380 L CA 0.410 55.258 54.840 0.013 0.000 0.880 380 L CB 0.222 42.286 42.059 0.008 0.000 1.033 380 L HN 0.366 nan 8.230 nan 0.000 0.450 381 G N 1.183 109.998 108.800 0.027 0.000 2.143 381 G HA2 -0.283 3.678 3.960 0.001 0.000 0.248 381 G HA3 -0.283 3.678 3.960 0.001 0.000 0.248 381 G C 0.170 175.093 174.900 0.039 0.000 0.991 381 G CA -0.059 45.060 45.100 0.032 0.000 0.689 381 G HN 0.318 nan 8.290 nan 0.000 0.522 382 I N 0.841 121.435 120.570 0.040 0.000 2.359 382 I HA 0.285 4.455 4.170 0.001 0.000 0.294 382 I C 0.454 176.616 176.117 0.075 0.000 0.987 382 I CA -0.848 60.481 61.300 0.048 0.000 1.225 382 I CB 1.298 39.317 38.000 0.032 0.000 1.366 382 I HN 0.142 nan 8.210 nan 0.000 0.466 383 D N 3.666 124.128 120.400 0.102 0.000 2.488 383 D HA -0.047 4.594 4.640 0.001 0.000 0.238 383 D C 1.364 177.764 176.300 0.167 0.000 1.138 383 D CA 0.276 54.379 54.000 0.173 0.000 0.873 383 D CB 1.093 42.026 40.800 0.222 0.000 1.183 383 D HN 0.605 nan 8.370 nan 0.000 0.458 384 S N 3.378 119.216 115.700 0.230 0.000 2.400 384 S HA -0.248 4.223 4.470 0.001 0.000 0.232 384 S C 1.972 176.604 174.600 0.053 0.000 1.025 384 S CA 0.681 58.979 58.200 0.163 0.000 0.993 384 S CB -0.415 62.928 63.200 0.239 0.000 0.808 384 S HN 0.641 nan 8.310 nan 0.000 0.478 385 L N 0.602 121.818 121.223 -0.012 0.000 2.109 385 L HA 0.078 4.418 4.340 0.001 0.000 0.207 385 L C 2.560 179.370 176.870 -0.101 0.000 1.086 385 L CA 1.462 56.142 54.840 -0.266 0.000 0.760 385 L CB -0.282 41.332 42.059 -0.742 0.000 0.910 385 L HN 0.207 nan 8.230 nan 0.000 0.437 386 K N 0.543 120.942 120.400 -0.001 0.000 2.057 386 K HA -0.193 4.127 4.320 0.001 0.000 0.207 386 K C 1.923 178.533 176.600 0.016 0.000 1.049 386 K CA 1.793 58.090 56.287 0.017 0.000 0.931 386 K CB -0.526 32.007 32.500 0.054 0.000 0.714 386 K HN 0.408 nan 8.250 nan 0.000 0.440 387 I N 0.197 120.780 120.570 0.021 0.000 2.567 387 I HA -0.268 3.903 4.170 0.001 0.000 0.257 387 I C 1.810 177.928 176.117 0.002 0.000 1.184 387 I CA 1.131 62.433 61.300 0.003 0.000 1.451 387 I CB 0.065 38.057 38.000 -0.012 0.000 1.089 387 I HN 0.168 nan 8.210 nan 0.000 0.441 388 R N -0.232 120.287 120.500 0.031 0.000 2.080 388 R HA -0.069 4.271 4.340 0.001 0.000 0.222 388 R C 2.251 178.623 176.300 0.120 0.000 1.107 388 R CA 1.073 57.252 56.100 0.131 0.000 0.980 388 R CB -0.266 30.120 30.300 0.144 0.000 0.879 388 R HN 0.430 nan 8.270 nan 0.000 0.439 389 Q N 0.495 120.318 119.800 0.039 0.000 2.135 389 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 389 Q C 2.045 178.071 176.000 0.043 0.000 0.981 389 Q CA 1.362 57.179 55.803 0.023 0.000 0.856 389 Q CB -0.107 28.627 28.738 -0.008 0.000 0.902 389 Q HN 0.382 nan 8.270 nan 0.000 0.425 390 I N 0.912 121.506 120.570 0.040 0.000 2.361 390 I HA -0.236 3.934 4.170 0.001 0.000 0.251 390 I C 1.349 177.500 176.117 0.057 0.000 1.133 390 I CA 0.791 62.113 61.300 0.037 0.000 1.413 390 I CB -0.097 37.916 38.000 0.022 0.000 1.073 390 I HN 0.217 nan 8.210 nan 0.000 0.424 391 N N 0.415 119.169 118.700 0.091 0.000 2.230 391 N HA 0.193 4.934 4.740 0.001 0.000 0.202 391 N C 0.315 175.955 175.510 0.216 0.000 1.119 391 N CA 0.061 53.193 53.050 0.138 0.000 0.851 391 N CB 0.359 38.882 38.487 0.060 0.000 0.990 391 N HN 0.294 nan 8.380 nan 0.000 0.497 392 M N 0.912 120.605 119.600 0.156 0.000 2.250 392 M HA 0.069 4.549 4.480 0.001 0.000 0.325 392 M C 0.526 176.790 176.300 -0.059 0.000 1.084 392 M CA 0.141 55.504 55.300 0.104 0.000 1.161 392 M CB 0.704 33.384 32.600 0.134 0.000 1.481 392 M HN -0.129 nan 8.290 nan 0.000 0.449 393 L N 4.236 125.253 121.223 -0.344 0.000 2.601 393 L HA -0.051 4.289 4.340 0.001 0.000 0.277 393 L C -0.966 175.697 176.870 -0.345 0.000 1.219 393 L CA -1.054 53.408 54.840 -0.630 0.000 0.915 393 L CB -0.263 41.041 42.059 -1.257 0.000 1.160 393 L HN 0.568 nan 8.230 nan 0.000 0.494 394 P HA -0.154 nan 4.420 nan 0.000 0.215 394 P C -0.050 177.204 177.300 -0.077 0.000 1.153 394 P CA 1.452 64.486 63.100 -0.109 0.000 0.853 394 P CB 0.244 31.870 31.700 -0.122 0.000 0.788 395 Q N -0.943 118.827 119.800 -0.051 0.000 2.462 395 Q HA 0.502 4.842 4.340 0.001 0.000 0.285 395 Q C -1.418 174.580 176.000 -0.004 0.000 1.035 395 Q CA -0.963 54.827 55.803 -0.022 0.000 0.799 395 Q CB 1.788 30.525 28.738 -0.003 0.000 1.452 395 Q HN -0.065 nan 8.270 nan 0.000 0.404 396 I N 2.084 122.655 120.570 0.003 0.000 2.582 396 I HA 0.401 4.572 4.170 0.001 0.000 0.292 396 I C -2.052 174.095 176.117 0.051 0.000 1.066 396 I CA -1.807 59.513 61.300 0.033 0.000 1.053 396 I CB 1.204 39.223 38.000 0.032 0.000 1.241 396 I HN 0.635 nan 8.210 nan 0.000 0.421 397 P HA 0.171 nan 4.420 nan 0.000 0.270 397 P C -1.475 175.886 177.300 0.103 0.000 1.223 397 P CA 0.076 63.232 63.100 0.094 0.000 0.785 397 P CB 0.866 32.616 31.700 0.082 0.000 0.923 398 Y N 0.279 120.565 120.300 -0.024 0.000 2.354 398 Y HA 0.377 4.927 4.550 0.001 0.000 0.330 398 Y C -1.099 174.796 175.900 -0.008 0.000 1.011 398 Y CA -0.887 57.184 58.100 -0.048 0.000 1.099 398 Y CB 1.644 40.032 38.460 -0.120 0.000 1.179 398 Y HN 0.079 nan 8.280 nan 0.000 0.442 399 V N 6.181 125.889 119.914 -0.344 0.000 2.364 399 V HA 0.290 4.410 4.120 0.001 0.000 0.272 399 V C 0.371 176.269 176.094 -0.327 0.000 1.036 399 V CA -0.358 61.814 62.300 -0.214 0.000 0.880 399 V CB 1.177 32.881 31.823 -0.198 0.000 0.991 399 V HN 0.896 nan 8.190 nan 0.000 0.460 400 T N 2.457 117.000 114.554 -0.017 0.000 2.788 400 T HA 0.310 4.660 4.350 0.001 0.000 0.287 400 T C 1.182 175.870 174.700 -0.020 0.000 1.007 400 T CA -0.447 61.714 62.100 0.101 0.000 1.005 400 T CB 0.711 69.709 68.868 0.217 0.000 1.012 400 T HN 0.462 nan 8.240 nan 0.000 0.530 401 M N -0.153 119.462 119.600 0.026 0.000 2.460 401 M HA 0.033 4.513 4.480 0.001 0.000 0.263 401 M C 1.471 177.668 176.300 -0.172 0.000 1.071 401 M CA 1.233 56.537 55.300 0.006 0.000 1.096 401 M CB -0.453 32.243 32.600 0.160 0.000 1.408 401 M HN 0.791 nan 8.290 nan 0.000 0.463 402 Y N 0.462 120.362 120.300 -0.667 0.000 2.490 402 Y HA 0.271 4.822 4.550 0.001 0.000 0.281 402 Y C 1.195 176.931 175.900 -0.275 0.000 1.174 402 Y CA 0.488 58.154 58.100 -0.722 0.000 1.295 402 Y CB 0.206 37.912 38.460 -1.258 0.000 1.062 402 Y HN 0.311 nan 8.280 nan 0.000 0.522 403 A N -0.006 122.744 122.820 -0.117 0.000 3.141 403 A HA -0.255 4.065 4.320 0.001 0.000 0.242 403 A C 0.268 177.837 177.584 -0.026 0.000 1.313 403 A CA 0.760 52.742 52.037 -0.092 0.000 1.060 403 A CB -2.315 16.599 19.000 -0.144 0.000 1.153 403 A HN 0.549 nan 8.150 nan 0.000 0.847 404 Q N -0.460 119.385 119.800 0.075 0.000 2.293 404 Q HA 0.565 4.905 4.340 0.001 0.000 0.251 404 Q C 0.301 176.387 176.000 0.143 0.000 0.930 404 Q CA -0.094 55.809 55.803 0.167 0.000 0.893 404 Q CB 0.684 29.635 28.738 0.355 0.000 1.215 404 Q HN 0.539 nan 8.270 nan 0.000 0.425 405 R N 1.460 122.035 120.500 0.125 0.000 2.239 405 R HA 0.315 4.656 4.340 0.001 0.000 0.332 405 R C -1.136 175.361 176.300 0.327 0.000 0.988 405 R CA -0.507 55.648 56.100 0.092 0.000 0.859 405 R CB 0.846 30.974 30.300 -0.286 0.000 1.148 405 R HN 0.307 nan 8.270 nan 0.000 0.482 406 V N 5.357 125.482 119.914 0.352 0.000 2.372 406 V HA 0.074 4.194 4.120 0.001 0.000 0.261 406 V C 0.985 177.270 176.094 0.318 0.000 1.055 406 V CA 0.035 62.586 62.300 0.419 0.000 0.930 406 V CB 1.005 33.057 31.823 0.382 0.000 1.031 406 V HN 0.774 nan 8.190 nan 0.000 0.479 407 M N 2.898 122.702 119.600 0.340 0.000 2.371 407 M HA 0.223 4.703 4.480 0.001 0.000 0.246 407 M C 0.503 176.946 176.300 0.237 0.000 1.103 407 M CA 0.297 55.760 55.300 0.272 0.000 1.010 407 M CB 0.016 32.796 32.600 0.300 0.000 1.457 407 M HN 0.739 nan 8.290 nan 0.000 0.486 408 S N -0.501 115.372 115.700 0.288 0.000 2.535 408 S HA 0.620 5.090 4.470 0.001 0.000 0.272 408 S C -1.507 173.313 174.600 0.367 0.000 1.149 408 S CA -0.743 57.617 58.200 0.267 0.000 0.888 408 S CB 2.231 65.570 63.200 0.232 0.000 1.110 408 S HN 0.252 nan 8.310 nan 0.000 0.463 409 Y N 1.103 121.437 120.300 0.056 0.000 2.287 409 Y HA 0.571 5.122 4.550 0.001 0.000 0.325 409 Y C 0.366 176.166 175.900 -0.167 0.000 1.139 409 Y CA -0.284 57.727 58.100 -0.149 0.000 1.167 409 Y CB 1.319 39.643 38.460 -0.226 0.000 1.158 409 Y HN 1.009 nan 8.280 nan 0.000 0.434 410 G N 2.791 111.382 108.800 -0.349 0.000 3.337 410 G HA2 0.092 4.053 3.960 0.001 0.000 0.246 410 G HA3 0.092 4.053 3.960 0.001 0.000 0.246 410 G C 0.953 175.610 174.900 -0.404 0.000 1.131 410 G CA 0.534 45.480 45.100 -0.257 0.000 0.773 410 G HN 0.581 nan 8.290 nan 0.000 0.544 411 V N 1.757 121.151 119.914 -0.866 0.000 2.278 411 V HA -0.168 3.953 4.120 0.001 0.000 0.251 411 V C 0.515 176.389 176.094 -0.366 0.000 1.062 411 V CA 2.347 64.221 62.300 -0.710 0.000 1.038 411 V CB -0.963 30.190 31.823 -1.117 0.000 0.646 411 V HN 0.260 nan 8.190 nan 0.000 0.447 412 P HA -0.208 nan 4.420 nan 0.000 0.214 412 P C 1.745 178.982 177.300 -0.104 0.000 1.163 412 P CA 1.783 64.808 63.100 -0.126 0.000 0.889 412 P CB 0.016 31.682 31.700 -0.056 0.000 0.790 413 E N -1.124 119.017 120.200 -0.099 0.000 2.106 413 E HA -0.175 4.175 4.350 0.001 0.000 0.192 413 E C 1.710 178.270 176.600 -0.067 0.000 0.984 413 E CA 1.097 57.459 56.400 -0.064 0.000 0.806 413 E CB -0.402 29.272 29.700 -0.044 0.000 0.750 413 E HN 0.129 nan 8.360 nan 0.000 0.458 414 C N 0.561 119.806 119.300 -0.093 0.000 2.413 414 C HA -0.159 4.301 4.460 0.001 0.000 0.277 414 C C 2.624 177.568 174.990 -0.076 0.000 1.228 414 C CA 0.640 59.615 59.018 -0.071 0.000 1.731 414 C CB -1.082 26.605 27.740 -0.089 0.000 2.042 414 C HN 0.476 nan 8.230 nan 0.000 0.468 415 L N 0.387 121.544 121.223 -0.110 0.000 2.017 415 L HA -0.153 4.188 4.340 0.001 0.000 0.208 415 L C 2.846 179.646 176.870 -0.117 0.000 1.073 415 L CA 1.418 56.182 54.840 -0.127 0.000 0.745 415 L CB -0.788 41.191 42.059 -0.133 0.000 0.894 415 L HN 0.333 nan 8.230 nan 0.000 0.432 416 E N 0.201 120.350 120.200 -0.085 0.000 2.110 416 E HA -0.228 4.122 4.350 0.001 0.000 0.193 416 E C 2.161 178.731 176.600 -0.050 0.000 0.988 416 E CA 1.182 57.544 56.400 -0.064 0.000 0.804 416 E CB 0.006 29.680 29.700 -0.043 0.000 0.745 416 E HN 0.236 nan 8.360 nan 0.000 0.458 417 K N 0.279 120.655 120.400 -0.039 0.000 2.001 417 K HA -0.109 4.212 4.320 0.001 0.000 0.208 417 K C 2.193 178.786 176.600 -0.010 0.000 1.048 417 K CA 1.194 57.473 56.287 -0.013 0.000 0.932 417 K CB -0.455 32.047 32.500 0.004 0.000 0.715 417 K HN 0.145 nan 8.250 nan 0.000 0.437 418 V N -0.784 119.120 119.914 -0.017 0.000 2.667 418 V HA -0.099 4.022 4.120 0.001 0.000 0.252 418 V C 2.134 178.177 176.094 -0.086 0.000 1.065 418 V CA 1.619 63.917 62.300 -0.004 0.000 1.083 418 V CB -0.483 31.355 31.823 0.026 0.000 0.692 418 V HN 0.232 nan 8.190 nan 0.000 0.468 419 K N 1.207 121.537 120.400 -0.117 0.000 2.001 419 K HA -0.069 4.251 4.320 0.001 0.000 0.208 419 K C 2.241 178.817 176.600 -0.040 0.000 1.048 419 K CA 1.682 57.904 56.287 -0.109 0.000 0.932 419 K CB -0.485 31.936 32.500 -0.132 0.000 0.715 419 K HN 0.519 nan 8.250 nan 0.000 0.437 420 A N 1.220 124.010 122.820 -0.050 0.000 1.855 420 A HA -0.055 4.265 4.320 0.001 0.000 0.215 420 A C 2.394 179.919 177.584 -0.100 0.000 1.191 420 A CA 1.853 53.863 52.037 -0.046 0.000 0.613 420 A CB -1.022 17.964 19.000 -0.024 0.000 0.829 420 A HN 0.495 nan 8.150 nan 0.000 0.442 421 A N 0.318 123.072 122.820 -0.110 0.000 1.948 421 A HA -0.147 4.173 4.320 0.001 0.000 0.220 421 A C 2.413 179.645 177.584 -0.588 0.000 1.177 421 A CA 2.560 54.496 52.037 -0.168 0.000 0.636 421 A CB -0.948 18.059 19.000 0.011 0.000 0.815 421 A HN 1.101 nan 8.150 nan 0.000 0.449 422 S N -1.758 113.462 115.700 -0.801 0.000 2.562 422 S HA 0.357 4.828 4.470 0.001 0.000 0.221 422 S C 1.356 175.584 174.600 -0.619 0.000 0.975 422 S CA 0.989 58.383 58.200 -1.344 0.000 0.918 422 S CB -0.536 62.108 63.200 -0.927 0.000 0.772 422 S HN 1.991 nan 8.310 nan 0.000 0.531 423 G N 1.358 109.982 108.800 -0.295 0.000 2.273 423 G HA2 -0.280 3.680 3.960 0.001 0.000 0.280 423 G HA3 -0.280 3.680 3.960 0.001 0.000 0.280 423 G C 0.421 175.286 174.900 -0.059 0.000 1.047 423 G CA 0.247 45.265 45.100 -0.137 0.000 0.869 423 G HN 0.567 nan 8.290 nan 0.000 0.502 424 W N 0.126 121.306 121.300 -0.199 0.000 2.301 424 W HA -0.177 4.483 4.660 0.001 0.000 0.325 424 W C 1.886 178.357 176.519 -0.079 0.000 1.250 424 W CA 2.210 59.478 57.345 -0.129 0.000 1.261 424 W CB -0.205 29.193 29.460 -0.102 0.000 1.157 424 W HN 0.517 nan 8.180 nan 0.000 0.473 425 E N -0.000 120.298 120.200 0.165 0.000 2.048 425 E HA -0.263 4.087 4.350 0.001 0.000 0.202 425 E C 1.715 178.278 176.600 -0.060 0.000 1.021 425 E CA 2.263 58.700 56.400 0.060 0.000 0.825 425 E CB -0.519 29.229 29.700 0.080 0.000 0.756 425 E HN 0.408 nan 8.360 nan 0.000 0.454 426 E N -0.015 120.150 120.200 -0.058 0.000 2.358 426 E HA -0.081 4.270 4.350 0.001 0.000 0.195 426 E C 1.836 178.367 176.600 -0.114 0.000 1.010 426 E CA 0.604 56.961 56.400 -0.073 0.000 0.856 426 E CB -0.141 29.530 29.700 -0.049 0.000 0.795 426 E HN 0.287 nan 8.360 nan 0.000 0.504 427 R N 0.498 120.897 120.500 -0.168 0.000 2.250 427 R HA 0.119 4.459 4.340 0.001 0.000 0.194 427 R C 0.744 176.868 176.300 -0.294 0.000 0.927 427 R CA -0.331 55.654 56.100 -0.191 0.000 1.052 427 R CB 0.121 30.328 30.300 -0.155 0.000 1.055 427 R HN -0.144 nan 8.270 nan 0.000 0.537 428 K N 1.361 121.454 120.400 -0.512 0.000 2.453 428 K HA -0.003 4.317 4.320 0.001 0.000 0.280 428 K C 0.716 177.079 176.600 -0.394 0.000 1.045 428 K CA 1.134 56.998 56.287 -0.704 0.000 1.059 428 K CB 0.059 31.707 32.500 -1.420 0.000 0.901 428 K HN 0.367 nan 8.250 nan 0.000 0.475 429 G N 4.001 112.630 108.800 -0.285 0.000 2.179 429 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 429 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 429 G C 0.050 174.869 174.900 -0.134 0.000 0.977 429 G CA 0.654 45.649 45.100 -0.174 0.000 0.641 429 G HN 0.609 nan 8.290 nan 0.000 0.533 430 K N -0.075 120.240 120.400 -0.142 0.000 3.084 430 K HA 0.519 4.840 4.320 0.001 0.000 0.210 430 K C 0.233 176.780 176.600 -0.088 0.000 1.137 430 K CA -0.329 55.897 56.287 -0.102 0.000 1.010 430 K CB 0.742 33.184 32.500 -0.096 0.000 0.806 430 K HN 0.298 nan 8.250 nan 0.000 0.460 431 L N 1.093 122.265 121.223 -0.086 0.000 2.352 431 L HA 0.500 4.841 4.340 0.001 0.000 0.269 431 L C -1.993 174.847 176.870 -0.050 0.000 1.034 431 L CA -2.283 52.519 54.840 -0.062 0.000 0.806 431 L CB 0.544 42.569 42.059 -0.056 0.000 1.244 431 L HN -0.026 nan 8.230 nan 0.000 0.447 432 P HA 0.009 nan 4.420 nan 0.000 0.270 432 P C -1.035 176.245 177.300 -0.033 0.000 1.227 432 P CA -0.480 62.601 63.100 -0.032 0.000 0.788 432 P CB 0.354 32.039 31.700 -0.024 0.000 0.926 433 K N 0.993 121.374 120.400 -0.033 0.000 2.484 433 K HA 0.288 4.609 4.320 0.001 0.000 0.280 433 K C 1.098 177.682 176.600 -0.026 0.000 1.013 433 K CA 1.190 57.456 56.287 -0.036 0.000 1.029 433 K CB -0.790 31.691 32.500 -0.033 0.000 0.902 433 K HN 0.683 nan 8.250 nan 0.000 0.481 434 G N 3.230 112.011 108.800 -0.032 0.000 2.175 434 G HA2 -0.263 3.698 3.960 0.001 0.000 0.244 434 G HA3 -0.263 3.698 3.960 0.001 0.000 0.244 434 G C -0.111 174.794 174.900 0.008 0.000 0.982 434 G CA 0.249 45.340 45.100 -0.014 0.000 0.641 434 G HN 0.612 nan 8.290 nan 0.000 0.527 435 R N -0.117 120.386 120.500 0.004 0.000 2.832 435 R HA 0.692 5.032 4.340 0.001 0.000 0.271 435 R C 0.227 176.532 176.300 0.010 0.000 0.996 435 R CA -0.067 56.054 56.100 0.035 0.000 0.977 435 R CB 1.969 32.292 30.300 0.038 0.000 1.168 435 R HN 0.502 nan 8.270 nan 0.000 0.482 436 G N 0.917 109.741 108.800 0.040 0.000 2.684 436 G HA2 0.601 4.561 3.960 0.001 0.000 0.290 436 G HA3 0.601 4.561 3.960 0.001 0.000 0.290 436 G C -1.725 173.212 174.900 0.061 0.000 1.425 436 G CA -0.648 44.463 45.100 0.017 0.000 0.822 436 G HN 0.295 nan 8.290 nan 0.000 0.482 437 L N 0.007 121.251 121.223 0.036 0.000 2.408 437 L HA 0.803 5.144 4.340 0.001 0.000 0.268 437 L C 0.370 177.372 176.870 0.220 0.000 0.986 437 L CA -0.761 54.150 54.840 0.118 0.000 0.820 437 L CB 2.575 44.606 42.059 -0.045 0.000 1.303 437 L HN 0.834 nan 8.230 nan 0.000 0.411 438 G N 1.983 110.991 108.800 0.347 0.000 2.563 438 G HA2 0.725 4.686 3.960 0.001 0.000 0.302 438 G HA3 0.725 4.686 3.960 0.001 0.000 0.302 438 G C -2.088 173.022 174.900 0.350 0.000 1.301 438 G CA -0.398 44.913 45.100 0.351 0.000 0.965 438 G HN 0.369 nan 8.290 nan 0.000 0.480 439 I N 0.203 120.908 120.570 0.226 0.000 2.730 439 I HA 0.920 5.090 4.170 0.001 0.000 0.298 439 I C -0.360 175.779 176.117 0.038 0.000 1.089 439 I CA -0.832 60.473 61.300 0.008 0.000 1.041 439 I CB 2.126 39.921 38.000 -0.341 0.000 1.235 439 I HN 1.095 nan 8.210 nan 0.000 0.423 440 A N 6.536 129.370 122.820 0.022 0.000 2.605 440 A HA 0.772 5.092 4.320 0.001 0.000 0.294 440 A C -2.147 175.462 177.584 0.043 0.000 1.062 440 A CA -0.564 51.507 52.037 0.056 0.000 0.682 440 A CB 1.008 20.048 19.000 0.067 0.000 1.278 440 A HN 0.691 nan 8.150 nan 0.000 0.410 441 L N 1.213 122.471 121.223 0.059 0.000 2.333 441 L HA 0.871 5.212 4.340 0.001 0.000 0.269 441 L C 0.280 177.154 176.870 0.006 0.000 1.010 441 L CA -0.497 54.344 54.840 0.002 0.000 0.818 441 L CB 2.399 44.410 42.059 -0.082 0.000 1.306 441 L HN 1.093 nan 8.230 nan 0.000 0.430 442 S N -0.584 115.120 115.700 0.008 0.000 2.611 442 S HA 0.705 5.175 4.470 0.001 0.000 0.268 442 S C -1.232 173.452 174.600 0.140 0.000 1.156 442 S CA -0.926 57.311 58.200 0.063 0.000 0.817 442 S CB 2.109 65.354 63.200 0.075 0.000 1.122 442 S HN 0.915 nan 8.310 nan 0.000 0.466 443 H N -1.041 117.995 119.070 -0.057 0.000 2.981 443 H HA 0.842 5.399 4.556 0.001 0.000 0.327 443 H C -1.862 173.501 175.328 0.059 0.000 1.342 443 H CA -1.103 54.876 56.048 -0.115 0.000 1.123 443 H CB 1.017 30.528 29.762 -0.417 0.000 1.851 443 H HN 0.676 nan 8.280 nan 0.000 0.531 444 F N 1.014 120.844 119.950 -0.199 0.000 2.713 444 F HA 0.415 4.942 4.527 0.001 0.000 0.311 444 F C -1.068 174.669 175.800 -0.104 0.000 1.141 444 F CA -0.467 57.415 58.000 -0.196 0.000 0.939 444 F CB 1.800 40.706 39.000 -0.156 0.000 1.325 444 F HN 0.670 nan 8.300 nan 0.000 0.453 445 V N 1.027 120.451 119.914 -0.816 0.000 3.051 445 V HA 0.442 4.562 4.120 0.001 0.000 0.306 445 V C -0.042 175.892 176.094 -0.267 0.000 1.083 445 V CA -0.234 61.668 62.300 -0.664 0.000 1.104 445 V CB 1.005 32.416 31.823 -0.688 0.000 1.027 445 V HN 0.731 nan 8.190 nan 0.000 0.483 446 S N 2.714 118.220 115.700 -0.324 0.000 2.694 446 S HA 0.661 5.131 4.470 0.001 0.000 0.211 446 S C 0.473 174.942 174.600 -0.219 0.000 1.328 446 S CA 0.326 58.424 58.200 -0.170 0.000 1.236 446 S CB -0.529 62.580 63.200 -0.152 0.000 1.121 446 S HN 1.991 nan 8.310 nan 0.000 0.517 447 G N 1.200 109.909 108.800 -0.151 0.000 3.055 447 G HA2 -0.159 3.802 3.960 0.001 0.000 0.686 447 G HA3 -0.159 3.802 3.960 0.001 0.000 0.686 447 G C -0.436 174.382 174.900 -0.136 0.000 1.087 447 G CA -1.184 43.836 45.100 -0.134 0.000 0.779 447 G HN 0.247 nan 8.290 nan 0.000 0.599 448 T N 2.340 116.887 114.554 -0.011 0.000 2.769 448 T HA 0.395 4.746 4.350 0.001 0.000 0.293 448 T C 1.923 176.611 174.700 -0.021 0.000 0.931 448 T CA 0.632 62.753 62.100 0.035 0.000 1.139 448 T CB 0.841 69.839 68.868 0.216 0.000 0.881 448 T HN 1.616 nan 8.240 nan 0.000 0.532 449 S N 2.170 117.832 115.700 -0.064 0.000 2.595 449 S HA -0.026 4.444 4.470 0.001 0.000 0.235 449 S C 0.756 175.290 174.600 -0.111 0.000 0.974 449 S CA -0.077 58.083 58.200 -0.067 0.000 0.942 449 S CB -0.183 63.008 63.200 -0.015 0.000 0.766 449 S HN 0.601 nan 8.310 nan 0.000 0.536 450 T N 3.855 118.366 114.554 -0.072 0.000 2.809 450 T HA 0.552 4.903 4.350 0.001 0.000 0.284 450 T C -2.873 171.855 174.700 0.048 0.000 0.992 450 T CA -1.397 60.661 62.100 -0.069 0.000 0.957 450 T CB 1.741 70.601 68.868 -0.012 0.000 0.942 450 T HN 0.045 nan 8.240 nan 0.000 0.439 451 P HA 0.266 nan 4.420 nan 0.000 0.270 451 P C 0.702 178.219 177.300 0.362 0.000 1.223 451 P CA -0.497 62.751 63.100 0.247 0.000 0.785 451 P CB 0.887 32.745 31.700 0.262 0.000 0.923 452 K N -0.040 120.519 120.400 0.264 0.000 2.217 452 K HA -0.070 4.250 4.320 0.001 0.000 0.202 452 K C 0.024 176.414 176.600 -0.350 0.000 1.051 452 K CA 1.052 57.303 56.287 -0.061 0.000 0.952 452 K CB -0.252 32.062 32.500 -0.311 0.000 0.736 452 K HN 0.610 nan 8.250 nan 0.000 0.453 453 H N -0.998 118.148 119.070 0.127 0.000 2.551 453 H HA 0.130 4.686 4.556 0.001 0.000 0.321 453 H C -0.987 174.518 175.328 0.296 0.000 1.028 453 H CA -0.785 55.292 56.048 0.049 0.000 1.215 453 H CB 0.524 30.346 29.762 0.101 0.000 1.414 453 H HN 0.032 nan 8.280 nan 0.000 0.480 454 W N 3.711 125.089 121.300 0.129 0.000 2.290 454 W HA 0.151 4.811 4.660 0.001 0.000 0.408 454 W C 0.532 177.117 176.519 0.110 0.000 0.966 454 W CA -0.757 56.650 57.345 0.103 0.000 1.579 454 W CB -0.693 28.800 29.460 0.055 0.000 1.662 454 W HN 0.668 nan 8.180 nan 0.000 0.341 455 T N -2.237 112.514 114.554 0.327 0.000 3.023 455 T HA 0.280 4.630 4.350 0.001 0.000 0.253 455 T C 1.525 176.320 174.700 0.159 0.000 1.038 455 T CA 0.337 62.566 62.100 0.215 0.000 0.962 455 T CB 0.397 69.386 68.868 0.201 0.000 1.018 455 T HN 0.604 nan 8.240 nan 0.000 0.521 456 G N 1.453 110.352 108.800 0.165 0.000 2.168 456 G HA2 -0.245 3.716 3.960 0.001 0.000 0.257 456 G HA3 -0.245 3.716 3.960 0.001 0.000 0.257 456 G C -0.237 174.705 174.900 0.069 0.000 0.997 456 G CA 0.268 45.426 45.100 0.096 0.000 0.708 456 G HN 0.663 nan 8.290 nan 0.000 0.520 457 E N 0.789 121.050 120.200 0.100 0.000 2.280 457 E HA 0.463 4.813 4.350 0.001 0.000 0.264 457 E C -1.792 174.841 176.600 0.055 0.000 1.064 457 E CA -1.729 54.709 56.400 0.063 0.000 0.900 457 E CB 0.997 30.737 29.700 0.066 0.000 1.123 457 E HN 0.203 nan 8.360 nan 0.000 0.418 458 P HA -0.026 nan 4.420 nan 0.000 0.271 458 P C -0.337 177.013 177.300 0.083 0.000 1.233 458 P CA 0.342 63.400 63.100 -0.071 0.000 0.789 458 P CB 0.468 32.132 31.700 -0.060 0.000 0.951 459 H N -0.544 118.522 119.070 -0.006 0.000 2.548 459 H HA 0.335 4.891 4.556 0.001 0.000 0.268 459 H C 0.486 175.854 175.328 0.066 0.000 0.975 459 H CA -0.080 55.996 56.048 0.046 0.000 1.195 459 H CB 0.410 30.208 29.762 0.060 0.000 1.397 459 H HN 0.480 nan 8.280 nan 0.000 0.572 460 A N 0.512 123.434 122.820 0.171 0.000 2.555 460 A HA 0.473 4.793 4.320 0.001 0.000 0.297 460 A C -0.887 176.734 177.584 0.063 0.000 1.060 460 A CA -0.677 51.424 52.037 0.107 0.000 0.710 460 A CB 1.488 20.572 19.000 0.140 0.000 1.282 460 A HN 0.056 nan 8.150 nan 0.000 0.399 461 T N 1.426 115.993 114.554 0.021 0.000 2.928 461 T HA 0.598 4.948 4.350 0.001 0.000 0.296 461 T C -1.023 173.675 174.700 -0.004 0.000 1.000 461 T CA -0.400 61.703 62.100 0.006 0.000 0.989 461 T CB 1.425 70.286 68.868 -0.012 0.000 1.005 461 T HN 0.775 nan 8.240 nan 0.000 0.442 462 V N 4.188 124.102 119.914 -0.001 0.000 2.604 462 V HA 0.556 4.676 4.120 0.001 0.000 0.305 462 V C -0.609 175.482 176.094 -0.005 0.000 1.043 462 V CA -0.991 61.305 62.300 -0.007 0.000 0.888 462 V CB 2.136 33.955 31.823 -0.008 0.000 0.995 462 V HN 0.756 nan 8.190 nan 0.000 0.429 463 N N 3.812 122.507 118.700 -0.007 0.000 2.370 463 N HA 0.749 5.489 4.740 0.001 0.000 0.303 463 N C -1.123 174.387 175.510 -0.000 0.000 1.103 463 N CA -0.424 52.624 53.050 -0.002 0.000 0.848 463 N CB 2.406 40.891 38.487 -0.004 0.000 1.235 463 N HN 0.493 nan 8.380 nan 0.000 0.496 464 L N 0.545 121.772 121.223 0.007 0.000 2.370 464 L HA 0.552 4.892 4.340 0.001 0.000 0.266 464 L C -0.012 176.867 176.870 0.015 0.000 1.002 464 L CA -0.755 54.092 54.840 0.012 0.000 0.818 464 L CB 2.352 44.425 42.059 0.022 0.000 1.325 464 L HN 0.263 nan 8.230 nan 0.000 0.418 465 K N 2.833 123.242 120.400 0.015 0.000 2.443 465 K HA 0.630 4.950 4.320 0.001 0.000 0.252 465 K C -2.164 174.449 176.600 0.020 0.000 0.933 465 K CA -0.656 55.640 56.287 0.016 0.000 0.792 465 K CB 2.601 35.107 32.500 0.009 0.000 1.185 465 K HN 0.416 nan 8.250 nan 0.000 0.425 466 L N 3.572 124.810 121.223 0.024 0.000 2.439 466 L HA 0.505 4.845 4.340 0.001 0.000 0.270 466 L C -1.315 175.559 176.870 0.007 0.000 0.972 466 L CA -0.186 54.670 54.840 0.026 0.000 0.836 466 L CB 1.613 43.709 42.059 0.061 0.000 1.255 466 L HN 0.751 nan 8.230 nan 0.000 0.404 467 D N 2.129 122.512 120.400 -0.028 0.000 2.689 467 D HA 0.263 4.903 4.640 0.001 0.000 0.255 467 D C 1.072 177.312 176.300 -0.099 0.000 1.113 467 D CA -0.149 53.844 54.000 -0.012 0.000 1.115 467 D CB 1.237 42.050 40.800 0.022 0.000 1.334 467 D HN 0.411 nan 8.370 nan 0.000 0.621 468 F N 0.682 120.633 119.950 0.002 0.000 2.184 468 F HA -0.185 4.343 4.527 0.001 0.000 0.301 468 F C 1.591 177.399 175.800 0.014 0.000 1.076 468 F CA 1.868 59.866 58.000 -0.003 0.000 1.295 468 F CB -0.689 38.307 39.000 -0.007 0.000 1.026 468 F HN 0.239 nan 8.300 nan 0.000 0.494 469 D N -0.418 119.104 120.400 -1.463 0.000 2.264 469 D HA -0.032 4.609 4.640 0.001 0.000 0.208 469 D C 2.055 178.171 176.300 -0.306 0.000 0.966 469 D CA 1.188 54.639 54.000 -0.916 0.000 0.864 469 D CB -0.529 39.720 40.800 -0.918 0.000 0.933 469 D HN 0.588 nan 8.370 nan 0.000 0.499 470 G N 0.254 108.945 108.800 -0.182 0.000 2.195 470 G HA2 -0.187 3.773 3.960 0.001 0.000 0.246 470 G HA3 -0.187 3.773 3.960 0.001 0.000 0.246 470 G C 0.589 175.539 174.900 0.083 0.000 0.984 470 G CA 0.170 45.309 45.100 0.065 0.000 0.633 470 G HN 0.772 nan 8.290 nan 0.000 0.525 471 G N 0.028 108.803 108.800 -0.042 0.000 2.353 471 G HA2 0.582 4.542 3.960 0.001 0.000 0.284 471 G HA3 0.582 4.542 3.960 0.001 0.000 0.284 471 G C -0.009 174.882 174.900 -0.015 0.000 1.172 471 G CA -0.531 44.544 45.100 -0.042 0.000 0.854 471 G HN 0.579 nan 8.290 nan 0.000 0.485 472 I N 1.811 122.376 120.570 -0.008 0.000 2.331 472 I HA 0.204 4.374 4.170 0.001 0.000 0.292 472 I C 0.282 176.393 176.117 -0.011 0.000 0.998 472 I CA -0.236 61.071 61.300 0.011 0.000 1.267 472 I CB 1.691 39.703 38.000 0.021 0.000 1.386 472 I HN 0.251 nan 8.210 nan 0.000 0.476 473 T N 7.570 122.120 114.554 -0.007 0.000 2.767 473 T HA 0.439 4.789 4.350 0.001 0.000 0.284 473 T C -0.409 174.285 174.700 -0.010 0.000 0.973 473 T CA -0.373 61.719 62.100 -0.014 0.000 0.996 473 T CB 1.102 69.962 68.868 -0.013 0.000 0.927 473 T HN 0.351 nan 8.240 nan 0.000 0.456 474 L N 5.007 126.220 121.223 -0.017 0.000 2.287 474 L HA 0.625 4.966 4.340 0.001 0.000 0.287 474 L C -1.551 175.305 176.870 -0.023 0.000 1.022 474 L CA -0.942 53.888 54.840 -0.017 0.000 0.814 474 L CB 0.565 42.612 42.059 -0.020 0.000 1.217 474 L HN 0.534 nan 8.230 nan 0.000 0.420 475 L N 5.094 126.306 121.223 -0.020 0.000 2.305 475 L HA 0.608 4.949 4.340 0.001 0.000 0.284 475 L C 0.030 176.884 176.870 -0.027 0.000 1.013 475 L CA 0.009 54.834 54.840 -0.024 0.000 0.819 475 L CB 1.809 43.858 42.059 -0.017 0.000 1.227 475 L HN 0.552 nan 8.230 nan 0.000 0.417 476 T N 0.847 115.380 114.554 -0.036 0.000 2.912 476 T HA 0.518 4.869 4.350 0.001 0.000 0.299 476 T C 0.883 175.556 174.700 -0.044 0.000 1.052 476 T CA -0.151 61.927 62.100 -0.038 0.000 0.996 476 T CB 1.672 70.515 68.868 -0.042 0.000 1.070 476 T HN 0.646 nan 8.240 nan 0.000 0.465 477 G N 1.781 110.556 108.800 -0.042 0.000 2.985 477 G HA2 0.441 4.401 3.960 0.001 0.000 0.209 477 G HA3 0.441 4.401 3.960 0.001 0.000 0.209 477 G C 0.706 175.577 174.900 -0.049 0.000 1.165 477 G CA 0.300 45.375 45.100 -0.042 0.000 0.776 477 G HN 1.070 nan 8.290 nan 0.000 0.541 478 A N 0.374 123.161 122.820 -0.055 0.000 2.511 478 A HA 0.596 4.916 4.320 0.001 0.000 0.242 478 A C 0.683 178.221 177.584 -0.076 0.000 1.069 478 A CA 0.442 52.443 52.037 -0.062 0.000 0.763 478 A CB 0.325 19.289 19.000 -0.060 0.000 1.001 478 A HN 0.898 nan 8.150 nan 0.000 0.498 479 A N 2.876 125.649 122.820 -0.078 0.000 2.260 479 A HA 0.463 4.784 4.320 0.001 0.000 0.312 479 A C -0.066 177.455 177.584 -0.106 0.000 1.321 479 A CA -0.452 51.528 52.037 -0.095 0.000 0.928 479 A CB 0.056 19.006 19.000 -0.083 0.000 1.158 479 A HN 0.804 nan 8.150 nan 0.000 0.542 480 D N 3.232 123.554 120.400 -0.131 0.000 2.325 480 D HA 0.227 4.868 4.640 0.001 0.000 0.251 480 D C 0.729 176.956 176.300 -0.122 0.000 1.196 480 D CA -0.085 53.842 54.000 -0.122 0.000 0.866 480 D CB 0.645 41.359 40.800 -0.144 0.000 1.101 480 D HN 0.570 nan 8.370 nan 0.000 0.476 481 I N 0.784 121.293 120.570 -0.102 0.000 3.927 481 I HA 0.455 4.625 4.170 0.001 0.000 0.332 481 I C 0.977 177.046 176.117 -0.079 0.000 1.485 481 I CA -0.383 60.851 61.300 -0.110 0.000 1.131 481 I CB 0.424 38.322 38.000 -0.170 0.000 1.092 481 I HN 0.498 nan 8.210 nan 0.000 0.410 482 G N 2.439 111.221 108.800 -0.030 0.000 2.231 482 G HA2 -0.281 3.679 3.960 0.001 0.000 0.206 482 G HA3 -0.281 3.679 3.960 0.001 0.000 0.206 482 G C 1.074 175.979 174.900 0.009 0.000 0.996 482 G CA 0.352 45.464 45.100 0.019 0.000 0.645 482 G HN 0.528 nan 8.290 nan 0.000 0.498 483 Q N 1.385 121.172 119.800 -0.021 0.000 2.311 483 Q HA 0.319 4.660 4.340 0.001 0.000 0.203 483 Q C 1.682 177.677 176.000 -0.008 0.000 0.954 483 Q CA 1.937 57.735 55.803 -0.008 0.000 0.885 483 Q CB -0.195 28.529 28.738 -0.023 0.000 0.963 483 Q HN 1.930 nan 8.270 nan 0.000 0.471 484 G N 1.100 109.889 108.800 -0.018 0.000 2.143 484 G HA2 -0.289 3.671 3.960 0.001 0.000 0.175 484 G HA3 -0.289 3.671 3.960 0.001 0.000 0.175 484 G C 0.818 175.698 174.900 -0.033 0.000 1.004 484 G CA 0.745 45.833 45.100 -0.019 0.000 0.671 484 G HN 0.564 nan 8.290 nan 0.000 0.512 485 S N 0.317 115.990 115.700 -0.045 0.000 2.400 485 S HA -0.170 4.300 4.470 0.001 0.000 0.232 485 S C 1.973 176.541 174.600 -0.054 0.000 1.025 485 S CA 1.683 59.853 58.200 -0.050 0.000 0.993 485 S CB -0.241 62.923 63.200 -0.060 0.000 0.808 485 S HN 0.396 nan 8.310 nan 0.000 0.478 486 N N 1.586 120.248 118.700 -0.064 0.000 2.244 486 N HA -0.018 4.722 4.740 0.001 0.000 0.183 486 N C 1.719 177.200 175.510 -0.048 0.000 1.016 486 N CA 1.754 54.764 53.050 -0.065 0.000 0.866 486 N CB -0.966 37.470 38.487 -0.085 0.000 0.980 486 N HN 0.568 nan 8.380 nan 0.000 0.430 487 T N 1.588 116.118 114.554 -0.040 0.000 2.809 487 T HA -0.027 4.324 4.350 0.001 0.000 0.260 487 T C 1.880 176.559 174.700 -0.035 0.000 1.039 487 T CA 0.553 62.633 62.100 -0.034 0.000 1.141 487 T CB -0.095 68.757 68.868 -0.026 0.000 0.869 487 T HN 0.129 nan 8.240 nan 0.000 0.437 488 M N 2.132 121.712 119.600 -0.034 0.000 2.073 488 M HA -0.116 4.365 4.480 0.001 0.000 0.258 488 M C 2.474 178.758 176.300 -0.028 0.000 1.070 488 M CA 2.268 57.550 55.300 -0.031 0.000 1.103 488 M CB -1.086 31.495 32.600 -0.030 0.000 1.321 488 M HN 0.274 nan 8.290 nan 0.000 0.405 489 A N -0.587 122.214 122.820 -0.032 0.000 1.933 489 A HA -0.131 4.189 4.320 0.001 0.000 0.218 489 A C 2.263 179.834 177.584 -0.021 0.000 1.175 489 A CA 2.221 54.242 52.037 -0.027 0.000 0.628 489 A CB -0.924 18.055 19.000 -0.034 0.000 0.814 489 A HN 0.659 nan 8.150 nan 0.000 0.444 490 S N -0.385 115.297 115.700 -0.030 0.000 2.356 490 S HA -0.204 4.266 4.470 0.001 0.000 0.223 490 S C 2.126 176.705 174.600 -0.035 0.000 1.032 490 S CA 1.524 59.703 58.200 -0.034 0.000 1.005 490 S CB -0.345 62.830 63.200 -0.041 0.000 0.867 490 S HN 0.705 nan 8.310 nan 0.000 0.449 491 Q N 0.394 120.169 119.800 -0.040 0.000 2.061 491 Q HA -0.129 4.212 4.340 0.001 0.000 0.204 491 Q C 2.521 178.493 176.000 -0.047 0.000 0.984 491 Q CA 1.891 57.658 55.803 -0.059 0.000 0.846 491 Q CB -0.521 28.174 28.738 -0.072 0.000 0.902 491 Q HN 0.662 nan 8.270 nan 0.000 0.421 492 V N -2.498 117.427 119.914 0.018 0.000 2.453 492 V HA -0.030 4.091 4.120 0.001 0.000 0.247 492 V C 2.069 178.261 176.094 0.163 0.000 1.048 492 V CA 1.512 63.910 62.300 0.162 0.000 1.049 492 V CB -0.956 31.006 31.823 0.232 0.000 0.672 492 V HN 0.260 nan 8.190 nan 0.000 0.457 493 A N 0.804 123.663 122.820 0.065 0.000 1.897 493 A HA 0.188 4.509 4.320 0.001 0.000 0.215 493 A C 2.483 180.086 177.584 0.032 0.000 1.181 493 A CA 2.034 54.100 52.037 0.048 0.000 0.620 493 A CB -1.026 17.985 19.000 0.018 0.000 0.821 493 A HN 0.920 nan 8.150 nan 0.000 0.443 494 A N -0.216 122.600 122.820 -0.007 0.000 1.933 494 A HA -0.137 4.184 4.320 0.001 0.000 0.218 494 A C 1.950 179.509 177.584 -0.041 0.000 1.175 494 A CA 2.117 54.129 52.037 -0.043 0.000 0.628 494 A CB -0.464 18.492 19.000 -0.074 0.000 0.814 494 A HN 0.530 nan 8.150 nan 0.000 0.444 495 E N 0.041 120.215 120.200 -0.044 0.000 2.058 495 E HA -0.136 4.215 4.350 0.001 0.000 0.194 495 E C 1.830 178.455 176.600 0.042 0.000 0.997 495 E CA 1.701 58.052 56.400 -0.080 0.000 0.801 495 E CB -0.476 29.050 29.700 -0.290 0.000 0.746 495 E HN 0.233 nan 8.360 nan 0.000 0.450 496 V N 0.415 120.422 119.914 0.155 0.000 2.295 496 V HA -0.233 3.888 4.120 0.001 0.000 0.246 496 V C 2.331 178.464 176.094 0.065 0.000 1.049 496 V CA 1.819 64.207 62.300 0.147 0.000 1.024 496 V CB -0.424 31.475 31.823 0.127 0.000 0.648 496 V HN 0.304 nan 8.190 nan 0.000 0.447 497 L N 0.258 121.512 121.223 0.051 0.000 2.552 497 L HA 0.225 4.566 4.340 0.001 0.000 0.227 497 L C 1.747 178.615 176.870 -0.002 0.000 1.146 497 L CA 0.883 55.759 54.840 0.059 0.000 0.858 497 L CB -0.636 41.481 42.059 0.096 0.000 0.969 497 L HN 0.548 nan 8.230 nan 0.000 0.451 498 G N 0.656 109.430 108.800 -0.043 0.000 2.179 498 G HA2 -0.253 3.707 3.960 0.001 0.000 0.257 498 G HA3 -0.253 3.707 3.960 0.001 0.000 0.257 498 G C 0.283 175.122 174.900 -0.103 0.000 1.010 498 G CA 0.409 45.458 45.100 -0.085 0.000 0.736 498 G HN 0.300 nan 8.290 nan 0.000 0.513 499 V N -3.892 115.947 119.914 -0.125 0.000 3.193 499 V HA 0.895 5.016 4.120 0.001 0.000 0.320 499 V C 0.728 176.723 176.094 -0.165 0.000 1.112 499 V CA -1.724 60.450 62.300 -0.210 0.000 1.026 499 V CB 1.213 32.805 31.823 -0.385 0.000 1.128 499 V HN 0.308 nan 8.190 nan 0.000 0.452 500 R N 0.113 120.508 120.500 -0.176 0.000 2.531 500 R HA 0.400 4.740 4.340 0.001 0.000 0.273 500 R C 0.943 177.170 176.300 -0.121 0.000 1.070 500 R CA -0.527 55.496 56.100 -0.127 0.000 1.112 500 R CB 0.790 31.024 30.300 -0.109 0.000 1.049 500 R HN 0.758 nan 8.270 nan 0.000 0.508 501 L N 2.076 123.243 121.223 -0.094 0.000 2.043 501 L HA -0.262 4.079 4.340 0.001 0.000 0.212 501 L C 1.987 178.811 176.870 -0.077 0.000 1.075 501 L CA 2.334 57.126 54.840 -0.080 0.000 0.752 501 L CB -0.579 41.440 42.059 -0.067 0.000 0.891 501 L HN 0.867 nan 8.230 nan 0.000 0.432 502 S N -1.245 114.410 115.700 -0.076 0.000 2.469 502 S HA -0.259 4.212 4.470 0.001 0.000 0.238 502 S C 2.113 176.664 174.600 -0.081 0.000 0.998 502 S CA 1.078 59.238 58.200 -0.067 0.000 0.957 502 S CB -0.754 62.410 63.200 -0.059 0.000 0.764 502 S HN 0.584 nan 8.310 nan 0.000 0.514 503 R N 0.537 120.968 120.500 -0.115 0.000 2.276 503 R HA 0.277 4.617 4.340 0.001 0.000 0.203 503 R C -0.123 176.116 176.300 -0.101 0.000 1.017 503 R CA 0.322 56.340 56.100 -0.137 0.000 1.010 503 R CB -0.090 30.061 30.300 -0.248 0.000 0.900 503 R HN 0.460 nan 8.270 nan 0.000 0.469 504 I N 1.824 122.345 120.570 -0.081 0.000 2.321 504 I HA 0.255 4.425 4.170 0.001 0.000 0.291 504 I C -0.178 175.912 176.117 -0.046 0.000 0.998 504 I CA -0.616 60.650 61.300 -0.057 0.000 1.227 504 I CB 1.643 39.611 38.000 -0.053 0.000 1.368 504 I HN -0.026 nan 8.210 nan 0.000 0.466 505 R N 5.139 125.615 120.500 -0.038 0.000 2.294 505 R HA 0.558 4.899 4.340 0.001 0.000 0.319 505 R C -1.002 175.277 176.300 -0.035 0.000 0.984 505 R CA -0.685 55.394 56.100 -0.034 0.000 0.861 505 R CB 2.063 32.345 30.300 -0.030 0.000 1.104 505 R HN 0.354 nan 8.270 nan 0.000 0.451 506 V N 5.591 125.481 119.914 -0.040 0.000 2.394 506 V HA 0.320 4.440 4.120 0.001 0.000 0.282 506 V C 0.108 176.169 176.094 -0.056 0.000 1.031 506 V CA -0.574 61.698 62.300 -0.048 0.000 0.881 506 V CB 1.538 33.327 31.823 -0.056 0.000 0.982 506 V HN 0.570 nan 8.190 nan 0.000 0.451 507 I N 4.923 125.462 120.570 -0.052 0.000 2.378 507 I HA 0.574 4.744 4.170 0.001 0.000 0.291 507 I C 0.198 176.275 176.117 -0.065 0.000 0.992 507 I CA 0.107 61.374 61.300 -0.056 0.000 1.154 507 I CB 1.645 39.623 38.000 -0.038 0.000 1.315 507 I HN 0.780 nan 8.210 nan 0.000 0.448 508 S N 3.775 119.422 115.700 -0.088 0.000 2.564 508 S HA 0.784 5.254 4.470 0.001 0.000 0.274 508 S C 0.001 174.546 174.600 -0.093 0.000 1.124 508 S CA -0.220 57.925 58.200 -0.091 0.000 0.869 508 S CB 2.160 65.292 63.200 -0.113 0.000 1.105 508 S HN 1.403 nan 8.310 nan 0.000 0.472 509 A N 0.782 123.559 122.820 -0.070 0.000 2.466 509 A HA 0.018 4.339 4.320 0.001 0.000 0.295 509 A C -0.074 177.485 177.584 -0.042 0.000 1.465 509 A CA 1.082 53.086 52.037 -0.056 0.000 0.744 509 A CB -2.160 16.794 19.000 -0.077 0.000 1.098 509 A HN 1.141 nan 8.150 nan 0.000 0.402 510 D N -0.152 120.234 120.400 -0.023 0.000 2.479 510 D HA 0.437 5.077 4.640 0.001 0.000 0.246 510 D C 1.134 177.443 176.300 0.016 0.000 1.336 510 D CA 0.319 54.312 54.000 -0.012 0.000 0.967 510 D CB 0.999 41.786 40.800 -0.022 0.000 1.275 510 D HN 0.616 nan 8.370 nan 0.000 0.577 511 S N 2.449 118.178 115.700 0.050 0.000 2.440 511 S HA -0.209 4.262 4.470 0.001 0.000 0.240 511 S C 1.798 176.444 174.600 0.078 0.000 1.014 511 S CA 1.131 59.393 58.200 0.104 0.000 0.980 511 S CB -0.154 63.191 63.200 0.242 0.000 0.775 511 S HN 0.436 nan 8.310 nan 0.000 0.499 512 A N 0.507 123.356 122.820 0.048 0.000 2.169 512 A HA 0.472 4.793 4.320 0.001 0.000 0.212 512 A C 2.011 179.608 177.584 0.021 0.000 1.153 512 A CA 0.695 52.754 52.037 0.036 0.000 0.756 512 A CB -0.285 18.728 19.000 0.023 0.000 0.813 512 A HN 0.581 nan 8.150 nan 0.000 0.471 513 L N -1.394 119.837 121.223 0.013 0.000 2.730 513 L HA 0.148 4.489 4.340 0.001 0.000 0.236 513 L C 0.813 177.682 176.870 -0.002 0.000 1.061 513 L CA 0.651 55.493 54.840 0.003 0.000 0.898 513 L CB 0.335 42.392 42.059 -0.004 0.000 1.270 513 L HN 0.330 nan 8.230 nan 0.000 0.500 514 T N -1.265 113.287 114.554 -0.003 0.000 2.895 514 T HA 0.510 4.861 4.350 0.001 0.000 0.283 514 T C -2.654 172.039 174.700 -0.012 0.000 1.014 514 T CA -2.088 60.005 62.100 -0.012 0.000 1.037 514 T CB 1.565 70.419 68.868 -0.022 0.000 1.006 514 T HN -0.173 nan 8.240 nan 0.000 0.468 515 P HA 0.117 nan 4.420 nan 0.000 0.268 515 P C -0.123 177.147 177.300 -0.050 0.000 1.205 515 P CA -0.532 62.550 63.100 -0.030 0.000 0.771 515 P CB 0.638 32.321 31.700 -0.027 0.000 0.858 516 K N 2.556 122.909 120.400 -0.079 0.000 2.485 516 K HA -0.021 4.300 4.320 0.001 0.000 0.277 516 K C -0.597 175.902 176.600 -0.167 0.000 0.990 516 K CA 0.627 56.826 56.287 -0.148 0.000 0.994 516 K CB -0.044 32.294 32.500 -0.269 0.000 0.906 516 K HN 0.527 nan 8.250 nan 0.000 0.488 517 D N 1.532 121.829 120.400 -0.172 0.000 2.671 517 D HA 0.263 4.904 4.640 0.001 0.000 0.232 517 D C 0.445 176.663 176.300 -0.137 0.000 1.114 517 D CA -0.608 53.319 54.000 -0.123 0.000 0.858 517 D CB 1.000 41.761 40.800 -0.064 0.000 1.544 517 D HN 0.403 nan 8.370 nan 0.000 0.471 518 N N 1.352 120.022 118.700 -0.049 0.000 2.459 518 N HA 0.189 4.929 4.740 0.001 0.000 0.181 518 N C 0.515 176.123 175.510 0.164 0.000 1.046 518 N CA 1.092 54.223 53.050 0.135 0.000 0.904 518 N CB 0.193 38.853 38.487 0.287 0.000 0.964 518 N HN 0.631 nan 8.380 nan 0.000 0.444 519 G N -1.113 107.716 108.800 0.047 0.000 2.362 519 G HA2 -0.098 3.863 3.960 0.001 0.000 0.656 519 G HA3 -0.098 3.863 3.960 0.001 0.000 0.656 519 G C -1.221 173.673 174.900 -0.010 0.000 1.376 519 G CA -0.793 44.332 45.100 0.041 0.000 0.971 519 G HN -0.012 nan 8.290 nan 0.000 0.636 520 S N 1.201 116.907 115.700 0.009 0.000 3.170 520 S HA 0.629 5.100 4.470 0.001 0.000 0.257 520 S C -0.528 174.098 174.600 0.043 0.000 1.284 520 S CA -0.112 58.060 58.200 -0.045 0.000 0.973 520 S CB -0.506 62.659 63.200 -0.058 0.000 1.330 520 S HN 1.251 nan 8.310 nan 0.000 0.493 521 Y N -0.925 119.388 120.300 0.021 0.000 2.571 521 Y HA 0.615 5.165 4.550 0.001 0.000 0.341 521 Y C 0.349 176.319 175.900 0.116 0.000 1.076 521 Y CA -0.947 57.190 58.100 0.063 0.000 1.029 521 Y CB 0.571 39.104 38.460 0.123 0.000 1.308 521 Y HN 0.424 nan 8.280 nan 0.000 0.461 522 S N -0.070 115.787 115.700 0.261 0.000 3.445 522 S HA -0.323 4.148 4.470 0.001 0.000 0.319 522 S C 0.287 174.988 174.600 0.168 0.000 1.209 522 S CA 0.943 59.338 58.200 0.325 0.000 0.934 522 S CB -2.809 60.623 63.200 0.386 0.000 0.999 522 S HN 2.040 nan 8.310 nan 0.000 0.582 523 S N -0.246 115.492 115.700 0.063 0.000 3.614 523 S HA -0.296 4.175 4.470 0.001 0.000 0.360 523 S C 1.146 175.733 174.600 -0.021 0.000 1.023 523 S CA 1.353 59.571 58.200 0.031 0.000 1.114 523 S CB -1.514 61.750 63.200 0.107 0.000 0.907 523 S HN 1.223 nan 8.310 nan 0.000 0.470 524 R N -0.901 119.529 120.500 -0.117 0.000 2.254 524 R HA 0.211 4.551 4.340 0.001 0.000 0.195 524 R C 1.701 177.971 176.300 -0.050 0.000 0.957 524 R CA 0.742 56.772 56.100 -0.116 0.000 1.024 524 R CB -0.284 29.861 30.300 -0.258 0.000 0.952 524 R HN 0.366 nan 8.270 nan 0.000 0.484 525 V N 1.656 121.528 119.914 -0.070 0.000 2.261 525 V HA -0.245 3.876 4.120 0.001 0.000 0.246 525 V C 2.112 178.192 176.094 -0.023 0.000 1.047 525 V CA 2.473 64.745 62.300 -0.048 0.000 1.015 525 V CB -0.726 31.060 31.823 -0.062 0.000 0.642 525 V HN 0.410 nan 8.190 nan 0.000 0.446 526 T N -0.102 114.445 114.554 -0.011 0.000 2.652 526 T HA -0.225 4.125 4.350 0.001 0.000 0.267 526 T C 1.689 176.354 174.700 -0.058 0.000 1.039 526 T CA 2.160 64.244 62.100 -0.027 0.000 1.153 526 T CB -0.453 68.409 68.868 -0.010 0.000 0.863 526 T HN 0.402 nan 8.240 nan 0.000 0.428 527 F N 1.088 120.962 119.950 -0.126 0.000 2.075 527 F HA -0.092 4.436 4.527 0.001 0.000 0.297 527 F C 2.368 177.994 175.800 -0.290 0.000 1.113 527 F CA 1.528 59.410 58.000 -0.196 0.000 1.218 527 F CB -0.176 38.720 39.000 -0.173 0.000 0.984 527 F HN 0.079 nan 8.300 nan 0.000 0.472 528 M N -1.180 118.487 119.600 0.111 0.000 2.216 528 M HA -0.116 4.364 4.480 0.001 0.000 0.264 528 M C 1.949 178.249 176.300 -0.000 0.000 1.080 528 M CA 1.056 56.408 55.300 0.086 0.000 1.153 528 M CB -0.475 32.265 32.600 0.233 0.000 1.356 528 M HN -0.046 nan 8.290 nan 0.000 0.432 529 V N 0.363 120.269 119.914 -0.013 0.000 2.667 529 V HA -0.081 4.039 4.120 0.001 0.000 0.252 529 V C 2.497 178.550 176.094 -0.068 0.000 1.065 529 V CA 1.854 64.138 62.300 -0.026 0.000 1.083 529 V CB -1.322 30.484 31.823 -0.029 0.000 0.692 529 V HN 0.621 nan 8.190 nan 0.000 0.468 530 G N 0.026 108.756 108.800 -0.117 0.000 2.404 530 G HA2 -0.255 3.706 3.960 0.001 0.000 0.215 530 G HA3 -0.255 3.706 3.960 0.001 0.000 0.215 530 G C 1.408 176.187 174.900 -0.201 0.000 1.174 530 G CA 0.995 46.012 45.100 -0.139 0.000 0.780 530 G HN 0.573 nan 8.290 nan 0.000 0.537 531 N N 0.595 119.094 118.700 -0.335 0.000 2.142 531 N HA -0.033 4.707 4.740 0.001 0.000 0.186 531 N C 2.569 177.992 175.510 -0.146 0.000 1.023 531 N CA 0.770 53.589 53.050 -0.385 0.000 0.852 531 N CB -0.114 37.872 38.487 -0.835 0.000 0.998 531 N HN 0.334 nan 8.380 nan 0.000 0.424 532 A N 0.222 123.013 122.820 -0.048 0.000 1.933 532 A HA -0.150 4.170 4.320 0.001 0.000 0.218 532 A C 2.252 179.828 177.584 -0.012 0.000 1.175 532 A CA 1.671 53.724 52.037 0.027 0.000 0.628 532 A CB -0.757 18.275 19.000 0.054 0.000 0.814 532 A HN 0.290 nan 8.150 nan 0.000 0.444 533 S N -0.502 115.177 115.700 -0.035 0.000 2.368 533 S HA -0.100 4.370 4.470 0.001 0.000 0.224 533 S C 1.921 176.506 174.600 -0.025 0.000 1.029 533 S CA 1.301 59.486 58.200 -0.025 0.000 0.988 533 S CB -0.496 62.689 63.200 -0.025 0.000 0.838 533 S HN 0.482 nan 8.310 nan 0.000 0.462 534 I N 1.020 121.553 120.570 -0.062 0.000 2.163 534 I HA -0.164 4.007 4.170 0.001 0.000 0.243 534 I C 2.784 178.864 176.117 -0.061 0.000 1.085 534 I CA 1.458 62.707 61.300 -0.084 0.000 1.347 534 I CB -0.469 37.395 38.000 -0.227 0.000 1.044 534 I HN 0.381 nan 8.210 nan 0.000 0.408 535 S N 0.427 116.095 115.700 -0.053 0.000 2.370 535 S HA -0.213 4.258 4.470 0.001 0.000 0.226 535 S C 2.188 176.784 174.600 -0.008 0.000 1.033 535 S CA 1.530 59.715 58.200 -0.025 0.000 1.011 535 S CB -0.221 62.980 63.200 0.001 0.000 0.852 535 S HN 0.479 nan 8.310 nan 0.000 0.457 536 A N 1.284 124.103 122.820 -0.002 0.000 1.898 536 A HA 0.236 4.556 4.320 0.001 0.000 0.216 536 A C 2.480 180.075 177.584 0.018 0.000 1.181 536 A CA 1.809 53.850 52.037 0.007 0.000 0.620 536 A CB -1.388 17.616 19.000 0.006 0.000 0.819 536 A HN 0.785 nan 8.150 nan 0.000 0.442 537 A N 0.056 122.887 122.820 0.020 0.000 1.933 537 A HA -0.162 4.158 4.320 0.001 0.000 0.218 537 A C 1.902 179.511 177.584 0.043 0.000 1.175 537 A CA 1.553 53.614 52.037 0.039 0.000 0.628 537 A CB -0.467 18.560 19.000 0.044 0.000 0.814 537 A HN 0.618 nan 8.150 nan 0.000 0.444 538 E N -0.115 120.097 120.200 0.021 0.000 2.106 538 E HA -0.178 4.172 4.350 0.001 0.000 0.192 538 E C 1.776 178.393 176.600 0.028 0.000 0.984 538 E CA 1.016 57.428 56.400 0.020 0.000 0.806 538 E CB -0.270 29.427 29.700 -0.004 0.000 0.750 538 E HN 0.587 nan 8.360 nan 0.000 0.458 539 E N 1.000 121.213 120.200 0.022 0.000 2.058 539 E HA -0.172 4.179 4.350 0.001 0.000 0.194 539 E C 2.218 178.839 176.600 0.035 0.000 0.997 539 E CA 0.626 57.039 56.400 0.022 0.000 0.801 539 E CB -0.310 29.400 29.700 0.016 0.000 0.746 539 E HN 0.144 nan 8.360 nan 0.000 0.450 540 L N 1.755 123.006 121.223 0.047 0.000 2.056 540 L HA -0.129 4.211 4.340 0.001 0.000 0.207 540 L C 2.308 179.233 176.870 0.091 0.000 1.078 540 L CA 1.840 56.718 54.840 0.064 0.000 0.749 540 L CB -0.474 41.633 42.059 0.081 0.000 0.901 540 L HN -0.029 nan 8.230 nan 0.000 0.433 541 K N -0.828 119.636 120.400 0.107 0.000 2.063 541 K HA -0.167 4.153 4.320 0.001 0.000 0.208 541 K C 1.955 178.632 176.600 0.128 0.000 1.048 541 K CA 1.446 57.821 56.287 0.146 0.000 0.928 541 K CB -0.581 31.985 32.500 0.109 0.000 0.713 541 K HN 0.524 nan 8.250 nan 0.000 0.442 542 G N 0.483 109.329 108.800 0.077 0.000 2.418 542 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 542 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 542 G C 1.491 176.417 174.900 0.043 0.000 1.158 542 G CA 0.872 46.006 45.100 0.057 0.000 0.771 542 G HN 0.204 nan 8.290 nan 0.000 0.545 543 V N 0.960 120.893 119.914 0.031 0.000 2.343 543 V HA -0.130 3.990 4.120 0.001 0.000 0.247 543 V C 2.910 178.989 176.094 -0.024 0.000 1.051 543 V CA 1.496 63.797 62.300 0.002 0.000 1.036 543 V CB -0.390 31.431 31.823 -0.002 0.000 0.654 543 V HN 0.346 nan 8.190 nan 0.000 0.451 544 L N -0.792 120.426 121.223 -0.008 0.000 2.072 544 L HA -0.104 4.237 4.340 0.001 0.000 0.205 544 L C 2.480 179.295 176.870 -0.092 0.000 1.079 544 L CA 0.900 55.675 54.840 -0.110 0.000 0.752 544 L CB -0.644 41.384 42.059 -0.052 0.000 0.906 544 L HN 0.176 nan 8.230 nan 0.000 0.436 545 V N 0.454 120.446 119.914 0.131 0.000 2.343 545 V HA -0.313 3.807 4.120 0.001 0.000 0.247 545 V C 2.626 178.751 176.094 0.050 0.000 1.051 545 V CA 2.008 64.416 62.300 0.181 0.000 1.036 545 V CB -0.472 31.459 31.823 0.180 0.000 0.654 545 V HN 0.460 nan 8.190 nan 0.000 0.451 546 K N 0.411 120.819 120.400 0.014 0.000 2.057 546 K HA -0.171 4.149 4.320 0.001 0.000 0.207 546 K C 2.123 178.698 176.600 -0.042 0.000 1.049 546 K CA 1.701 57.983 56.287 -0.008 0.000 0.931 546 K CB -0.361 32.133 32.500 -0.010 0.000 0.714 546 K HN 0.408 nan 8.250 nan 0.000 0.440 547 A N 0.806 123.575 122.820 -0.085 0.000 1.930 547 A HA -0.015 4.306 4.320 0.001 0.000 0.217 547 A C 2.301 179.801 177.584 -0.141 0.000 1.175 547 A CA 1.625 53.590 52.037 -0.119 0.000 0.627 547 A CB -0.710 18.192 19.000 -0.164 0.000 0.815 547 A HN 0.497 nan 8.150 nan 0.000 0.443 548 A N -0.097 122.615 122.820 -0.181 0.000 1.898 548 A HA 0.227 4.547 4.320 0.001 0.000 0.216 548 A C 2.484 180.045 177.584 -0.037 0.000 1.181 548 A CA 1.835 53.778 52.037 -0.155 0.000 0.620 548 A CB -0.946 17.956 19.000 -0.163 0.000 0.819 548 A HN 0.970 nan 8.150 nan 0.000 0.442 549 A N 0.027 122.845 122.820 -0.003 0.000 1.877 549 A HA -0.198 4.123 4.320 0.001 0.000 0.216 549 A C 2.133 179.714 177.584 -0.005 0.000 1.186 549 A CA 2.106 54.151 52.037 0.013 0.000 0.620 549 A CB -0.513 18.499 19.000 0.020 0.000 0.822 549 A HN 0.550 nan 8.150 nan 0.000 0.443 550 K N -0.289 120.098 120.400 -0.021 0.000 2.032 550 K HA -0.191 4.129 4.320 0.001 0.000 0.209 550 K C 2.159 178.744 176.600 -0.026 0.000 1.048 550 K CA 1.953 58.226 56.287 -0.024 0.000 0.927 550 K CB -0.176 32.305 32.500 -0.032 0.000 0.712 550 K HN 0.426 nan 8.250 nan 0.000 0.441 551 K N 0.254 120.630 120.400 -0.039 0.000 2.217 551 K HA -0.015 4.305 4.320 0.001 0.000 0.202 551 K C 1.689 178.277 176.600 -0.020 0.000 1.051 551 K CA 0.692 56.956 56.287 -0.037 0.000 0.952 551 K CB 0.164 32.629 32.500 -0.059 0.000 0.736 551 K HN 0.176 nan 8.250 nan 0.000 0.453 552 L N 0.356 121.573 121.223 -0.011 0.000 2.567 552 L HA 0.015 4.356 4.340 0.001 0.000 0.225 552 L C 0.003 176.876 176.870 0.005 0.000 1.119 552 L CA 0.116 54.959 54.840 0.005 0.000 0.871 552 L CB 0.140 42.212 42.059 0.022 0.000 1.036 552 L HN 0.255 nan 8.230 nan 0.000 0.459 553 D N 0.632 121.033 120.400 0.000 0.000 2.746 553 D HA -0.154 4.487 4.640 0.001 0.000 0.236 553 D C 0.088 176.392 176.300 0.006 0.000 1.129 553 D CA 0.827 54.828 54.000 0.001 0.000 0.691 553 D CB -0.272 40.528 40.800 0.001 0.000 1.077 553 D HN 0.405 nan 8.370 nan 0.000 0.432 554 A N -0.032 122.795 122.820 0.011 0.000 2.389 554 A HA 0.796 5.116 4.320 0.001 0.000 0.293 554 A C 0.281 177.874 177.584 0.015 0.000 1.186 554 A CA -0.625 51.421 52.037 0.015 0.000 0.828 554 A CB 1.303 20.317 19.000 0.024 0.000 1.369 554 A HN 0.127 nan 8.150 nan 0.000 0.446 555 R N -0.063 120.447 120.500 0.017 0.000 2.459 555 R HA 0.273 4.613 4.340 0.001 0.000 0.281 555 R C 0.391 176.705 176.300 0.024 0.000 1.050 555 R CA -0.298 55.812 56.100 0.016 0.000 1.055 555 R CB 0.792 31.100 30.300 0.014 0.000 1.045 555 R HN 0.869 nan 8.270 nan 0.000 0.495 556 E N 1.546 121.760 120.200 0.024 0.000 2.153 556 E HA -0.227 4.124 4.350 0.001 0.000 0.194 556 E C 0.974 177.595 176.600 0.034 0.000 0.988 556 E CA 1.464 57.885 56.400 0.034 0.000 0.811 556 E CB 0.188 29.906 29.700 0.029 0.000 0.746 556 E HN 0.532 nan 8.360 nan 0.000 0.466 557 E N 0.856 121.071 120.200 0.024 0.000 2.268 557 E HA -0.145 4.205 4.350 0.001 0.000 0.195 557 E C 1.234 177.846 176.600 0.021 0.000 0.995 557 E CA 0.902 57.315 56.400 0.020 0.000 0.836 557 E CB 0.040 29.749 29.700 0.014 0.000 0.763 557 E HN 0.209 nan 8.360 nan 0.000 0.491 558 D N 0.195 120.609 120.400 0.024 0.000 2.323 558 D HA -0.031 4.610 4.640 0.001 0.000 0.209 558 D C 0.331 176.649 176.300 0.030 0.000 0.973 558 D CA 0.341 54.355 54.000 0.023 0.000 0.874 558 D CB 0.178 40.991 40.800 0.022 0.000 0.930 558 D HN 0.130 nan 8.370 nan 0.000 0.521 559 I N 1.985 122.582 120.570 0.045 0.000 2.533 559 I HA 0.076 4.246 4.170 0.001 0.000 0.284 559 I C 0.713 176.845 176.117 0.025 0.000 1.109 559 I CA 0.100 61.438 61.300 0.064 0.000 1.412 559 I CB 0.108 38.183 38.000 0.125 0.000 1.396 559 I HN -0.189 nan 8.210 nan 0.000 0.543 560 E N 4.695 124.892 120.200 -0.005 0.000 2.212 560 E HA 0.525 4.875 4.350 0.001 0.000 0.268 560 E C -1.235 175.270 176.600 -0.159 0.000 0.902 560 E CA -0.748 55.616 56.400 -0.059 0.000 0.779 560 E CB 2.821 32.498 29.700 -0.038 0.000 1.172 560 E HN 0.270 nan 8.360 nan 0.000 0.409 561 V N 4.968 124.740 119.914 -0.237 0.000 2.334 561 V HA 0.423 4.544 4.120 0.001 0.000 0.281 561 V C -0.331 175.629 176.094 -0.223 0.000 1.016 561 V CA -0.489 61.565 62.300 -0.410 0.000 0.832 561 V CB 0.477 31.948 31.823 -0.586 0.000 0.999 561 V HN 0.503 nan 8.190 nan 0.000 0.439 562 I N 2.476 122.946 120.570 -0.168 0.000 2.478 562 I HA 0.464 4.634 4.170 0.001 0.000 0.287 562 I C -0.319 175.756 176.117 -0.069 0.000 1.042 562 I CA -0.849 60.393 61.300 -0.096 0.000 1.067 562 I CB 1.716 39.679 38.000 -0.062 0.000 1.233 562 I HN 0.563 nan 8.210 nan 0.000 0.431 563 D N 5.196 125.557 120.400 -0.065 0.000 2.740 563 D HA -0.191 4.449 4.640 0.001 0.000 0.231 563 D C -0.071 176.217 176.300 -0.019 0.000 1.194 563 D CA 0.949 54.921 54.000 -0.047 0.000 0.673 563 D CB -0.629 40.151 40.800 -0.034 0.000 0.995 563 D HN 0.804 nan 8.370 nan 0.000 0.411 564 E N -2.317 117.873 120.200 -0.017 0.000 2.637 564 E HA -0.263 4.088 4.350 0.001 0.000 0.265 564 E C -0.236 176.486 176.600 0.202 0.000 1.073 564 E CA 0.586 57.046 56.400 0.100 0.000 0.778 564 E CB -0.613 29.117 29.700 0.049 0.000 1.362 564 E HN 0.460 nan 8.360 nan 0.000 0.413 565 M N 0.116 119.771 119.600 0.091 0.000 2.395 565 M HA 0.443 4.924 4.480 0.001 0.000 0.307 565 M C -0.571 175.768 176.300 0.065 0.000 1.091 565 M CA -0.529 54.858 55.300 0.145 0.000 0.919 565 M CB 1.069 33.714 32.600 0.074 0.000 1.662 565 M HN -0.057 nan 8.290 nan 0.000 0.440 566 F N 4.779 124.757 119.950 0.047 0.000 2.388 566 F HA 0.639 5.167 4.527 0.001 0.000 0.358 566 F C 0.409 176.219 175.800 0.017 0.000 1.122 566 F CA -0.529 57.488 58.000 0.029 0.000 1.056 566 F CB 0.937 39.942 39.000 0.008 0.000 1.155 566 F HN 0.517 nan 8.300 nan 0.000 0.461 567 M N 1.223 120.893 119.600 0.116 0.000 2.667 567 M HA 0.770 5.251 4.480 0.001 0.000 0.286 567 M C -1.608 174.727 176.300 0.058 0.000 1.270 567 M CA -1.194 54.154 55.300 0.080 0.000 0.826 567 M CB 1.913 34.540 32.600 0.045 0.000 1.743 567 M HN -0.005 nan 8.290 nan 0.000 0.460 568 V N 1.899 121.840 119.914 0.045 0.000 2.455 568 V HA 0.148 4.269 4.120 0.001 0.000 0.273 568 V C 0.663 176.769 176.094 0.021 0.000 1.045 568 V CA -0.202 62.118 62.300 0.034 0.000 0.976 568 V CB 1.030 32.870 31.823 0.029 0.000 0.993 568 V HN 0.974 nan 8.190 nan 0.000 0.475 569 S N 4.492 120.202 115.700 0.016 0.000 2.702 569 S HA 0.163 4.633 4.470 0.001 0.000 0.314 569 S C 1.530 176.135 174.600 0.008 0.000 1.244 569 S CA 0.893 59.098 58.200 0.008 0.000 1.058 569 S CB -0.293 62.911 63.200 0.007 0.000 0.783 569 S HN 1.915 nan 8.310 nan 0.000 0.503 570 G N 3.292 112.095 108.800 0.005 0.000 2.200 570 G HA2 -0.309 3.651 3.960 0.001 0.000 0.268 570 G HA3 -0.309 3.651 3.960 0.001 0.000 0.268 570 G C 0.358 175.262 174.900 0.007 0.000 0.986 570 G CA 0.773 45.876 45.100 0.005 0.000 0.677 570 G HN 1.134 nan 8.290 nan 0.000 0.532 571 S N -0.506 115.200 115.700 0.010 0.000 2.600 571 S HA 0.390 4.861 4.470 0.001 0.000 0.265 571 S C 1.721 176.327 174.600 0.010 0.000 1.325 571 S CA 0.728 58.935 58.200 0.011 0.000 1.002 571 S CB 0.833 64.042 63.200 0.015 0.000 0.921 571 S HN 0.695 nan 8.310 nan 0.000 0.554 572 Q N 1.000 120.806 119.800 0.010 0.000 2.424 572 Q HA 0.093 4.433 4.340 0.001 0.000 0.204 572 Q C -0.240 175.767 176.000 0.012 0.000 0.933 572 Q CA 0.356 56.164 55.803 0.009 0.000 0.929 572 Q CB -0.141 28.602 28.738 0.008 0.000 1.037 572 Q HN 0.631 nan 8.270 nan 0.000 0.511 573 D N 1.549 121.957 120.400 0.014 0.000 2.277 573 D HA 0.153 4.793 4.640 0.001 0.000 0.249 573 D C -1.812 174.502 176.300 0.023 0.000 1.134 573 D CA -2.306 51.704 54.000 0.018 0.000 0.863 573 D CB 1.716 42.527 40.800 0.019 0.000 1.143 573 D HN -0.115 nan 8.370 nan 0.000 0.458 574 P HA 0.134 nan 4.420 nan 0.000 0.220 574 P C 0.433 177.761 177.300 0.047 0.000 1.148 574 P CA 0.984 64.102 63.100 0.030 0.000 0.803 574 P CB 0.034 31.751 31.700 0.028 0.000 0.782 575 G N -1.104 107.726 108.800 0.049 0.000 2.482 575 G HA2 -0.175 3.785 3.960 0.001 0.000 0.214 575 G HA3 -0.175 3.785 3.960 0.001 0.000 0.214 575 G C -1.104 173.842 174.900 0.077 0.000 1.271 575 G CA -0.687 44.455 45.100 0.069 0.000 0.944 575 G HN 0.193 nan 8.290 nan 0.000 0.568 576 L N 1.162 122.452 121.223 0.112 0.000 2.322 576 L HA 0.617 4.958 4.340 0.001 0.000 0.279 576 L C 1.317 178.280 176.870 0.155 0.000 1.036 576 L CA -0.269 54.625 54.840 0.091 0.000 0.807 576 L CB 1.856 43.931 42.059 0.028 0.000 1.226 576 L HN 0.991 nan 8.230 nan 0.000 0.433 577 S N 0.844 116.612 115.700 0.114 0.000 2.603 577 S HA 0.125 4.596 4.470 0.001 0.000 0.268 577 S C 0.883 175.606 174.600 0.206 0.000 1.317 577 S CA -0.414 57.884 58.200 0.164 0.000 1.012 577 S CB 0.651 63.920 63.200 0.114 0.000 0.926 577 S HN 0.560 nan 8.310 nan 0.000 0.539 578 F N 1.572 121.617 119.950 0.158 0.000 2.120 578 F HA -0.142 4.385 4.527 0.001 0.000 0.300 578 F C 2.664 178.484 175.800 0.033 0.000 1.095 578 F CA 2.301 60.405 58.000 0.173 0.000 1.249 578 F CB -0.448 38.652 39.000 0.168 0.000 0.995 578 F HN 0.722 nan 8.300 nan 0.000 0.480 579 Q N 0.792 120.694 119.800 0.169 0.000 2.124 579 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 579 Q C 1.970 177.934 176.000 -0.059 0.000 0.977 579 Q CA 2.059 57.893 55.803 0.051 0.000 0.850 579 Q CB -0.341 28.454 28.738 0.095 0.000 0.901 579 Q HN 0.590 nan 8.270 nan 0.000 0.429 580 E N -1.118 119.050 120.200 -0.053 0.000 2.072 580 E HA -0.129 4.221 4.350 0.001 0.000 0.191 580 E C 1.927 178.415 176.600 -0.186 0.000 0.985 580 E CA 1.330 57.680 56.400 -0.082 0.000 0.801 580 E CB 0.052 29.723 29.700 -0.048 0.000 0.750 580 E HN 0.188 nan 8.360 nan 0.000 0.452 581 V N 0.937 120.658 119.914 -0.323 0.000 2.343 581 V HA -0.220 3.900 4.120 0.001 0.000 0.247 581 V C 2.336 178.152 176.094 -0.464 0.000 1.051 581 V CA 1.193 63.177 62.300 -0.527 0.000 1.036 581 V CB -0.343 30.842 31.823 -1.064 0.000 0.654 581 V HN 0.131 nan 8.190 nan 0.000 0.451 582 V N -0.114 119.515 119.914 -0.474 0.000 2.287 582 V HA -0.327 3.794 4.120 0.001 0.000 0.248 582 V C 2.466 178.456 176.094 -0.172 0.000 1.053 582 V CA 2.435 64.534 62.300 -0.336 0.000 1.027 582 V CB -0.647 31.024 31.823 -0.254 0.000 0.646 582 V HN 0.541 nan 8.190 nan 0.000 0.447 583 K N -0.120 120.203 120.400 -0.128 0.000 2.032 583 K HA -0.200 4.121 4.320 0.001 0.000 0.209 583 K C 2.231 178.784 176.600 -0.078 0.000 1.048 583 K CA 1.628 57.879 56.287 -0.060 0.000 0.927 583 K CB -0.346 32.131 32.500 -0.038 0.000 0.712 583 K HN 0.443 nan 8.250 nan 0.000 0.441 584 A N 0.946 123.694 122.820 -0.120 0.000 1.902 584 A HA -0.111 4.210 4.320 0.001 0.000 0.217 584 A C 2.265 179.782 177.584 -0.112 0.000 1.181 584 A CA 1.902 53.871 52.037 -0.114 0.000 0.623 584 A CB -0.722 18.192 19.000 -0.144 0.000 0.818 584 A HN 0.469 nan 8.150 nan 0.000 0.443 585 A N -1.234 121.496 122.820 -0.150 0.000 2.067 585 A HA -0.032 4.289 4.320 0.001 0.000 0.219 585 A C 2.042 179.582 177.584 -0.074 0.000 1.158 585 A CA 1.622 53.584 52.037 -0.126 0.000 0.661 585 A CB -0.420 18.477 19.000 -0.172 0.000 0.801 585 A HN 0.433 nan 8.150 nan 0.000 0.452 586 M N -0.157 119.410 119.600 -0.055 0.000 2.319 586 M HA 0.031 4.511 4.480 0.001 0.000 0.265 586 M C 0.628 176.918 176.300 -0.017 0.000 1.068 586 M CA 0.518 55.808 55.300 -0.016 0.000 1.118 586 M CB -0.993 31.619 32.600 0.020 0.000 1.395 586 M HN 0.087 nan 8.290 nan 0.000 0.435 587 V N 3.231 123.127 119.914 -0.029 0.000 2.557 587 V HA -0.107 4.014 4.120 0.001 0.000 0.301 587 V C 0.651 176.730 176.094 -0.024 0.000 1.026 587 V CA 0.521 62.805 62.300 -0.027 0.000 1.137 587 V CB -0.282 31.521 31.823 -0.033 0.000 0.917 587 V HN 0.529 nan 8.190 nan 0.000 0.484 588 D N 2.641 123.030 120.400 -0.019 0.000 3.077 588 D HA -0.191 4.450 4.640 0.001 0.000 0.217 588 D C 1.223 177.515 176.300 -0.013 0.000 1.162 588 D CA 1.639 55.630 54.000 -0.016 0.000 0.943 588 D CB -1.037 39.752 40.800 -0.018 0.000 1.122 588 D HN 0.742 nan 8.370 nan 0.000 0.413 589 S N -1.669 114.024 115.700 -0.012 0.000 3.186 589 S HA 0.473 4.943 4.470 0.001 0.000 0.253 589 S C 1.075 175.676 174.600 0.002 0.000 1.071 589 S CA 1.714 59.909 58.200 -0.008 0.000 0.796 589 S CB 0.720 63.912 63.200 -0.014 0.000 0.818 589 S HN 1.071 nan 8.310 nan 0.000 0.498 590 G N 0.859 109.665 108.800 0.009 0.000 2.642 590 G HA2 -0.214 3.747 3.960 0.001 0.000 0.231 590 G HA3 -0.214 3.747 3.960 0.001 0.000 0.231 590 G C -0.270 174.650 174.900 0.033 0.000 1.338 590 G CA -0.326 44.790 45.100 0.027 0.000 0.883 590 G HN 1.005 nan 8.290 nan 0.000 0.570 591 T N 0.627 115.210 114.554 0.049 0.000 2.718 591 T HA 0.259 4.610 4.350 0.001 0.000 0.265 591 T C 0.895 175.609 174.700 0.025 0.000 1.014 591 T CA 0.996 63.123 62.100 0.045 0.000 1.172 591 T CB -0.177 68.720 68.868 0.049 0.000 1.007 591 T HN 0.622 nan 8.240 nan 0.000 0.500 592 I N 4.053 124.634 120.570 0.019 0.000 2.365 592 I HA 0.347 4.517 4.170 0.001 0.000 0.291 592 I C 0.758 176.884 176.117 0.015 0.000 1.004 592 I CA -0.504 60.803 61.300 0.012 0.000 1.311 592 I CB 1.111 39.115 38.000 0.006 0.000 1.401 592 I HN 0.679 nan 8.210 nan 0.000 0.491 593 T N 3.830 118.392 114.554 0.013 0.000 2.879 593 T HA 0.722 5.073 4.350 0.001 0.000 0.290 593 T C -0.472 174.234 174.700 0.011 0.000 0.993 593 T CA -0.775 61.332 62.100 0.012 0.000 0.975 593 T CB 1.457 70.331 68.868 0.010 0.000 0.981 593 T HN 0.405 nan 8.240 nan 0.000 0.439 594 V N -0.252 119.669 119.914 0.012 0.000 3.074 594 V HA 0.870 4.991 4.120 0.001 0.000 0.314 594 V C -0.710 175.389 176.094 0.007 0.000 1.117 594 V CA -1.260 61.046 62.300 0.010 0.000 1.014 594 V CB 2.063 33.895 31.823 0.016 0.000 1.057 594 V HN 1.193 nan 8.190 nan 0.000 0.438 595 K N 0.943 121.346 120.400 0.005 0.000 2.378 595 K HA 0.786 5.106 4.320 0.001 0.000 0.252 595 K C -0.453 176.148 176.600 0.002 0.000 0.931 595 K CA -0.171 56.117 56.287 0.002 0.000 0.794 595 K CB 2.048 34.547 32.500 -0.002 0.000 1.181 595 K HN 1.300 nan 8.250 nan 0.000 0.425 596 G N 1.328 110.130 108.800 0.003 0.000 2.542 596 G HA2 0.610 4.570 3.960 0.001 0.000 0.311 596 G HA3 0.610 4.570 3.960 0.001 0.000 0.311 596 G C -0.964 173.944 174.900 0.014 0.000 1.298 596 G CA -0.594 44.509 45.100 0.006 0.000 0.973 596 G HN 0.644 nan 8.290 nan 0.000 0.487 597 T N -1.759 112.809 114.554 0.023 0.000 2.864 597 T HA 0.713 5.063 4.350 0.001 0.000 0.299 597 T C -1.657 173.097 174.700 0.091 0.000 1.166 597 T CA -0.884 61.237 62.100 0.035 0.000 1.007 597 T CB 2.200 71.061 68.868 -0.011 0.000 1.219 597 T HN 0.841 nan 8.240 nan 0.000 0.506 598 Y N -0.081 120.194 120.300 -0.041 0.000 2.513 598 Y HA 0.621 5.171 4.550 0.001 0.000 0.340 598 Y C -1.331 174.523 175.900 -0.076 0.000 1.055 598 Y CA -0.425 57.650 58.100 -0.042 0.000 1.020 598 Y CB 2.439 40.895 38.460 -0.008 0.000 1.301 598 Y HN 1.023 nan 8.280 nan 0.000 0.453 599 T N 4.708 118.562 114.554 -1.167 0.000 2.991 599 T HA 0.298 4.648 4.350 0.001 0.000 0.303 599 T C -1.159 172.933 174.700 -1.014 0.000 1.015 599 T CA -0.506 60.966 62.100 -1.048 0.000 1.007 599 T CB 0.534 68.934 68.868 -0.780 0.000 1.034 599 T HN 0.751 nan 8.240 nan 0.000 0.446 600 C N 5.123 124.174 119.300 -0.415 0.000 2.633 600 C HA 0.258 4.718 4.460 0.001 0.000 0.415 600 C C -1.731 173.226 174.990 -0.055 0.000 1.393 600 C CA -0.896 58.085 59.018 -0.062 0.000 1.700 600 C CB -0.802 27.069 27.740 0.218 0.000 2.541 600 C HN 0.612 nan 8.230 nan 0.000 0.603 601 P HA 0.118 nan 4.420 nan 0.000 0.268 601 P C 0.934 178.320 177.300 0.143 0.000 1.205 601 P CA 0.310 63.466 63.100 0.093 0.000 0.771 601 P CB 0.432 32.267 31.700 0.226 0.000 0.858 602 T N 1.669 116.250 114.554 0.046 0.000 2.685 602 T HA -0.244 4.106 4.350 0.001 0.000 0.268 602 T C 1.314 176.014 174.700 0.001 0.000 1.034 602 T CA 2.029 64.134 62.100 0.008 0.000 1.149 602 T CB -0.681 68.165 68.868 -0.037 0.000 0.860 602 T HN 0.630 nan 8.240 nan 0.000 0.449 603 E N 0.642 120.833 120.200 -0.015 0.000 2.273 603 E HA -0.126 4.225 4.350 0.001 0.000 0.198 603 E C 1.247 177.687 176.600 -0.266 0.000 1.002 603 E CA 1.076 57.381 56.400 -0.159 0.000 0.828 603 E CB -0.551 29.003 29.700 -0.243 0.000 0.747 603 E HN 0.549 nan 8.360 nan 0.000 0.491 604 F N 0.992 120.920 119.950 -0.035 0.000 2.732 604 F HA 0.164 4.691 4.527 0.001 0.000 0.303 604 F C 1.131 176.896 175.800 -0.059 0.000 1.110 604 F CA 0.140 58.114 58.000 -0.043 0.000 1.355 604 F CB 0.328 39.300 39.000 -0.047 0.000 1.081 604 F HN -0.101 nan 8.300 nan 0.000 0.565 605 Q N 0.457 120.293 119.800 0.059 0.000 2.237 605 Q HA 0.375 4.715 4.340 0.001 0.000 0.252 605 Q C 1.040 177.012 176.000 -0.046 0.000 0.877 605 Q CA 0.115 55.919 55.803 0.002 0.000 1.011 605 Q CB 0.370 29.094 28.738 -0.023 0.000 1.118 605 Q HN 0.427 nan 8.270 nan 0.000 0.458 606 G N 1.734 110.504 108.800 -0.051 0.000 2.542 606 G HA2 -0.240 3.721 3.960 0.001 0.000 0.235 606 G HA3 -0.240 3.721 3.960 0.001 0.000 0.235 606 G C -1.061 173.768 174.900 -0.118 0.000 1.286 606 G CA -0.346 44.700 45.100 -0.089 0.000 0.904 606 G HN 0.365 nan 8.290 nan 0.000 0.577 607 D N -0.027 120.287 120.400 -0.142 0.000 2.492 607 D HA 0.475 5.115 4.640 0.001 0.000 0.248 607 D C 1.345 177.577 176.300 -0.114 0.000 1.101 607 D CA -0.617 53.307 54.000 -0.127 0.000 0.840 607 D CB 1.463 42.183 40.800 -0.134 0.000 1.209 607 D HN 0.470 nan 8.370 nan 0.000 0.524 608 K N 2.011 122.352 120.400 -0.098 0.000 2.152 608 K HA -0.143 4.178 4.320 0.001 0.000 0.206 608 K C 1.500 178.057 176.600 -0.070 0.000 1.048 608 K CA 1.088 57.322 56.287 -0.087 0.000 0.933 608 K CB 0.144 32.594 32.500 -0.082 0.000 0.721 608 K HN 0.415 nan 8.250 nan 0.000 0.447 609 K N 0.697 121.055 120.400 -0.070 0.000 2.505 609 K HA 0.079 4.400 4.320 0.001 0.000 0.192 609 K C 0.164 176.723 176.600 -0.067 0.000 1.025 609 K CA 0.440 56.692 56.287 -0.059 0.000 1.086 609 K CB 0.120 32.588 32.500 -0.053 0.000 0.840 609 K HN 0.109 nan 8.250 nan 0.000 0.514 610 I N 3.078 123.596 120.570 -0.087 0.000 2.555 610 I HA 0.210 4.381 4.170 0.001 0.000 0.275 610 I C -0.457 175.604 176.117 -0.093 0.000 1.082 610 I CA -0.921 60.317 61.300 -0.103 0.000 1.167 610 I CB 0.970 38.876 38.000 -0.158 0.000 1.312 610 I HN 0.016 nan 8.210 nan 0.000 0.493 611 R N 4.019 124.487 120.500 -0.053 0.000 2.504 611 R HA 0.173 4.514 4.340 0.001 0.000 0.291 611 R C 1.209 177.496 176.300 -0.022 0.000 0.974 611 R CA 0.873 56.960 56.100 -0.022 0.000 1.077 611 R CB 0.110 30.408 30.300 -0.003 0.000 0.926 611 R HN 0.966 nan 8.270 nan 0.000 0.407 612 G N 1.309 110.106 108.800 -0.006 0.000 2.175 612 G HA2 -0.358 3.602 3.960 0.001 0.000 0.244 612 G HA3 -0.358 3.602 3.960 0.001 0.000 0.244 612 G C 0.800 175.691 174.900 -0.014 0.000 0.982 612 G CA 0.441 45.544 45.100 0.005 0.000 0.641 612 G HN 0.667 nan 8.290 nan 0.000 0.527 613 S N 0.004 115.632 115.700 -0.119 0.000 2.603 613 S HA 0.496 4.967 4.470 0.001 0.000 0.229 613 S C 2.308 176.875 174.600 -0.054 0.000 0.972 613 S CA 1.103 59.139 58.200 -0.272 0.000 0.935 613 S CB 0.161 63.067 63.200 -0.489 0.000 0.769 613 S HN 1.653 nan 8.310 nan 0.000 0.536 614 A N 1.671 124.478 122.820 -0.022 0.000 1.968 614 A HA 0.267 4.588 4.320 0.001 0.000 0.217 614 A C 0.963 178.545 177.584 -0.004 0.000 1.169 614 A CA 0.382 52.416 52.037 -0.005 0.000 0.638 614 A CB -0.387 18.622 19.000 0.015 0.000 0.812 614 A HN 0.541 nan 8.150 nan 0.000 0.446 615 I N 0.305 120.854 120.570 -0.034 0.000 2.421 615 I HA 0.368 4.538 4.170 0.001 0.000 0.291 615 I C 1.429 177.429 176.117 -0.195 0.000 1.089 615 I CA 1.309 62.469 61.300 -0.233 0.000 1.354 615 I CB -0.456 37.317 38.000 -0.378 0.000 1.413 615 I HN 0.467 nan 8.210 nan 0.000 0.513 616 G N 5.098 113.774 108.800 -0.206 0.000 2.231 616 G HA2 -0.129 3.831 3.960 0.001 0.000 0.206 616 G HA3 -0.129 3.831 3.960 0.001 0.000 0.206 616 G C 0.418 175.318 174.900 0.001 0.000 0.996 616 G CA -0.074 44.967 45.100 -0.099 0.000 0.645 616 G HN 0.895 nan 8.290 nan 0.000 0.498 617 A N 0.023 122.856 122.820 0.022 0.000 2.331 617 A HA 0.871 5.192 4.320 0.001 0.000 0.283 617 A C 0.331 177.852 177.584 -0.106 0.000 1.142 617 A CA 1.104 53.146 52.037 0.009 0.000 0.812 617 A CB 1.218 20.233 19.000 0.025 0.000 1.074 617 A HN 1.482 nan 8.150 nan 0.000 0.497 618 T N 1.140 115.591 114.554 -0.171 0.000 2.749 618 T HA 0.362 4.712 4.350 0.001 0.000 0.310 618 T C 0.629 175.164 174.700 -0.274 0.000 1.496 618 T CA -0.581 61.329 62.100 -0.315 0.000 1.006 618 T CB 0.751 69.259 68.868 -0.600 0.000 1.457 618 T HN 0.377 nan 8.240 nan 0.000 0.497 619 M N 1.010 120.301 119.600 -0.516 0.000 2.319 619 M HA 0.281 4.762 4.480 0.001 0.000 0.265 619 M C 1.222 177.246 176.300 -0.461 0.000 1.068 619 M CA 1.219 56.096 55.300 -0.705 0.000 1.118 619 M CB -1.105 30.654 32.600 -1.402 0.000 1.395 619 M HN 0.829 nan 8.290 nan 0.000 0.435 620 G N -0.965 107.538 108.800 -0.496 0.000 2.489 620 G HA2 0.480 4.441 3.960 0.001 0.000 0.291 620 G HA3 0.480 4.441 3.960 0.001 0.000 0.291 620 G C -1.901 172.747 174.900 -0.420 0.000 1.487 620 G CA -0.857 44.099 45.100 -0.241 0.000 0.795 620 G HN 0.048 nan 8.290 nan 0.000 0.513 621 F N -0.010 119.907 119.950 -0.054 0.000 2.480 621 F HA 0.600 5.127 4.527 0.001 0.000 0.329 621 F C 0.861 176.481 175.800 -0.299 0.000 1.091 621 F CA -0.789 57.040 58.000 -0.284 0.000 0.972 621 F CB 2.009 40.655 39.000 -0.590 0.000 1.150 621 F HN 0.573 nan 8.300 nan 0.000 0.467 622 C N 3.916 123.180 119.300 -0.059 0.000 2.452 622 C HA 0.620 5.080 4.460 0.001 0.000 0.379 622 C C -0.772 174.133 174.990 -0.142 0.000 1.275 622 C CA -0.646 58.371 59.018 -0.002 0.000 2.056 622 C CB -1.113 26.662 27.740 0.059 0.000 2.506 622 C HN 0.686 nan 8.230 nan 0.000 0.560 623 Y N 3.416 123.778 120.300 0.103 0.000 2.429 623 Y HA 0.665 5.216 4.550 0.001 0.000 0.342 623 Y C 0.443 176.341 175.900 -0.003 0.000 1.004 623 Y CA -0.312 57.804 58.100 0.026 0.000 1.075 623 Y CB 1.855 40.240 38.460 -0.126 0.000 1.214 623 Y HN 0.972 nan 8.280 nan 0.000 0.455 624 A N 1.598 124.501 122.820 0.137 0.000 2.422 624 A HA 0.898 5.218 4.320 0.001 0.000 0.302 624 A C -1.477 176.135 177.584 0.046 0.000 1.041 624 A CA -0.606 51.481 52.037 0.083 0.000 0.708 624 A CB 0.933 19.984 19.000 0.085 0.000 1.257 624 A HN 0.846 nan 8.150 nan 0.000 0.414 625 A N 2.215 125.053 122.820 0.029 0.000 2.331 625 A HA 0.765 5.085 4.320 0.001 0.000 0.320 625 A C -0.524 177.090 177.584 0.050 0.000 1.138 625 A CA -0.489 51.552 52.037 0.006 0.000 0.790 625 A CB 0.848 19.821 19.000 -0.045 0.000 1.206 625 A HN 1.185 nan 8.150 nan 0.000 0.470 626 Q N 1.118 120.957 119.800 0.065 0.000 2.345 626 Q HA 0.719 5.059 4.340 0.001 0.000 0.275 626 Q C -1.916 174.168 176.000 0.139 0.000 1.063 626 Q CA -0.854 55.027 55.803 0.130 0.000 0.819 626 Q CB 2.087 30.923 28.738 0.164 0.000 1.356 626 Q HN 0.362 nan 8.270 nan 0.000 0.418 627 V N 2.366 122.431 119.914 0.251 0.000 2.459 627 V HA 0.506 4.627 4.120 0.001 0.000 0.295 627 V C -0.527 175.829 176.094 0.437 0.000 1.029 627 V CA -0.629 61.871 62.300 0.334 0.000 0.874 627 V CB 1.767 33.819 31.823 0.382 0.000 0.985 627 V HN 0.694 nan 8.190 nan 0.000 0.438 628 V N 4.214 124.317 119.914 0.316 0.000 2.495 628 V HA 0.475 4.596 4.120 0.001 0.000 0.298 628 V C -0.211 176.055 176.094 0.287 0.000 1.031 628 V CA -0.644 61.789 62.300 0.222 0.000 0.871 628 V CB 1.873 33.638 31.823 -0.096 0.000 0.988 628 V HN 0.961 nan 8.190 nan 0.000 0.432 629 E N 3.263 123.657 120.200 0.323 0.000 2.145 629 E HA 0.752 5.102 4.350 0.001 0.000 0.270 629 E C -0.637 176.108 176.600 0.241 0.000 0.906 629 E CA -0.358 56.237 56.400 0.325 0.000 0.761 629 E CB 1.583 31.566 29.700 0.471 0.000 1.116 629 E HN 0.900 nan 8.360 nan 0.000 0.408 630 A N 3.041 125.976 122.820 0.192 0.000 2.532 630 A HA 0.799 5.119 4.320 0.001 0.000 0.290 630 A C -1.024 176.662 177.584 0.170 0.000 1.143 630 A CA -0.531 51.576 52.037 0.116 0.000 0.728 630 A CB 1.861 20.878 19.000 0.029 0.000 1.317 630 A HN 0.656 nan 8.150 nan 0.000 0.414 631 S N -0.955 114.815 115.700 0.117 0.000 2.595 631 S HA 0.792 5.262 4.470 0.001 0.000 0.281 631 S C -1.274 173.363 174.600 0.060 0.000 1.117 631 S CA -0.641 57.646 58.200 0.145 0.000 0.873 631 S CB 1.434 64.813 63.200 0.298 0.000 1.108 631 S HN 1.229 nan 8.310 nan 0.000 0.477 632 V N 1.860 121.798 119.914 0.040 0.000 2.588 632 V HA 0.477 4.597 4.120 0.001 0.000 0.304 632 V C -0.943 175.159 176.094 0.014 0.000 1.042 632 V CA -0.653 61.655 62.300 0.013 0.000 0.877 632 V CB 1.761 33.579 31.823 -0.008 0.000 0.996 632 V HN 1.031 nan 8.190 nan 0.000 0.425 633 D N 3.329 123.737 120.400 0.013 0.000 2.316 633 D HA 0.193 4.833 4.640 0.001 0.000 0.245 633 D C 0.967 177.266 176.300 -0.002 0.000 1.171 633 D CA -0.079 53.927 54.000 0.010 0.000 0.856 633 D CB 1.536 42.344 40.800 0.013 0.000 1.090 633 D HN 0.658 nan 8.370 nan 0.000 0.476 634 E N 3.040 123.236 120.200 -0.006 0.000 2.274 634 E HA -0.066 4.284 4.350 0.001 0.000 0.194 634 E C 1.777 178.371 176.600 -0.010 0.000 0.996 634 E CA 0.372 56.765 56.400 -0.012 0.000 0.840 634 E CB 0.549 30.239 29.700 -0.016 0.000 0.772 634 E HN 0.641 nan 8.360 nan 0.000 0.491 635 I N 1.183 121.749 120.570 -0.006 0.000 2.202 635 I HA -0.226 3.945 4.170 0.001 0.000 0.242 635 I C 2.721 178.835 176.117 -0.006 0.000 1.091 635 I CA 1.709 63.006 61.300 -0.005 0.000 1.368 635 I CB -0.300 37.699 38.000 -0.002 0.000 1.058 635 I HN 0.192 nan 8.210 nan 0.000 0.410 636 T N -2.957 111.594 114.554 -0.004 0.000 3.037 636 T HA 0.279 4.630 4.350 0.001 0.000 0.252 636 T C 1.597 176.292 174.700 -0.009 0.000 1.073 636 T CA 0.569 62.665 62.100 -0.005 0.000 1.091 636 T CB 0.723 69.590 68.868 -0.002 0.000 0.935 636 T HN 0.504 nan 8.240 nan 0.000 0.488 637 G N 1.474 110.268 108.800 -0.010 0.000 2.176 637 G HA2 -0.284 3.676 3.960 0.001 0.000 0.253 637 G HA3 -0.284 3.676 3.960 0.001 0.000 0.253 637 G C 0.011 174.902 174.900 -0.015 0.000 0.979 637 G CA 0.276 45.367 45.100 -0.015 0.000 0.641 637 G HN 0.846 nan 8.290 nan 0.000 0.530 638 K N 0.811 121.205 120.400 -0.009 0.000 2.368 638 K HA 0.494 4.814 4.320 0.001 0.000 0.282 638 K C 0.454 177.050 176.600 -0.007 0.000 1.035 638 K CA -0.352 55.931 56.287 -0.008 0.000 0.973 638 K CB 0.708 33.206 32.500 -0.003 0.000 0.957 638 K HN 0.054 nan 8.250 nan 0.000 0.474 639 V N 4.005 123.913 119.914 -0.010 0.000 2.439 639 V HA 0.234 4.354 4.120 0.001 0.000 0.282 639 V C -0.192 175.886 176.094 -0.027 0.000 1.039 639 V CA -0.519 61.774 62.300 -0.011 0.000 0.913 639 V CB 1.629 33.453 31.823 0.002 0.000 0.983 639 V HN 0.843 nan 8.190 nan 0.000 0.460 640 T N 4.181 118.688 114.554 -0.078 0.000 2.809 640 T HA 0.611 4.961 4.350 0.001 0.000 0.284 640 T C -0.000 174.505 174.700 -0.324 0.000 0.992 640 T CA -0.267 61.721 62.100 -0.185 0.000 0.957 640 T CB 1.467 70.190 68.868 -0.243 0.000 0.942 640 T HN 0.885 nan 8.240 nan 0.000 0.439 641 A N 2.960 125.683 122.820 -0.161 0.000 2.302 641 A HA 0.429 4.750 4.320 0.001 0.000 0.295 641 A C 0.838 178.326 177.584 -0.159 0.000 1.235 641 A CA -0.368 51.642 52.037 -0.046 0.000 0.876 641 A CB 0.098 19.264 19.000 0.277 0.000 1.133 641 A HN 0.970 nan 8.150 nan 0.000 0.533 642 H N 1.674 120.799 119.070 0.091 0.000 2.370 642 H HA 0.196 4.752 4.556 0.001 0.000 0.304 642 H C 0.539 175.856 175.328 -0.017 0.000 1.055 642 H CA 1.256 57.331 56.048 0.045 0.000 1.373 642 H CB 0.414 30.207 29.762 0.051 0.000 1.423 642 H HN 0.692 nan 8.280 nan 0.000 0.533 643 K N 0.122 120.549 120.400 0.045 0.000 2.568 643 K HA 0.442 4.762 4.320 0.001 0.000 0.273 643 K C -1.899 174.532 176.600 -0.282 0.000 0.951 643 K CA -0.479 55.669 56.287 -0.232 0.000 0.854 643 K CB 2.625 34.805 32.500 -0.533 0.000 1.424 643 K HN -0.174 nan 8.250 nan 0.000 0.427 644 V N 2.470 122.171 119.914 -0.355 0.000 2.638 644 V HA 0.519 4.640 4.120 0.001 0.000 0.306 644 V C -1.115 174.831 176.094 -0.246 0.000 1.052 644 V CA -0.716 61.522 62.300 -0.104 0.000 0.885 644 V CB 1.672 33.581 31.823 0.143 0.000 0.999 644 V HN 0.648 nan 8.190 nan 0.000 0.424 645 W N 4.015 125.394 121.300 0.132 0.000 2.417 645 W HA 0.707 5.368 4.660 0.001 0.000 0.315 645 W C -0.725 175.847 176.519 0.088 0.000 1.045 645 W CA -0.620 56.785 57.345 0.100 0.000 1.221 645 W CB 1.985 31.502 29.460 0.095 0.000 1.309 645 W HN 0.406 nan 8.180 nan 0.000 0.453 646 V N 3.726 123.779 119.914 0.231 0.000 2.577 646 V HA 0.802 4.922 4.120 0.001 0.000 0.303 646 V C -0.890 175.279 176.094 0.126 0.000 1.042 646 V CA -0.524 61.874 62.300 0.165 0.000 0.872 646 V CB 1.459 33.363 31.823 0.136 0.000 0.998 646 V HN 0.519 nan 8.190 nan 0.000 0.423 647 A N 6.515 129.394 122.820 0.098 0.000 2.287 647 A HA 0.833 5.153 4.320 0.001 0.000 0.317 647 A C -0.607 177.012 177.584 0.058 0.000 1.220 647 A CA -0.328 51.750 52.037 0.069 0.000 0.835 647 A CB 1.435 20.461 19.000 0.044 0.000 1.180 647 A HN 1.792 nan 8.150 nan 0.000 0.500 648 V N 0.567 120.517 119.914 0.061 0.000 2.487 648 V HA 0.570 4.691 4.120 0.001 0.000 0.298 648 V C -0.650 175.487 176.094 0.071 0.000 1.028 648 V CA -0.835 61.507 62.300 0.070 0.000 0.860 648 V CB 1.608 33.473 31.823 0.071 0.000 0.991 648 V HN 0.779 nan 8.190 nan 0.000 0.427 649 D N 4.041 124.499 120.400 0.096 0.000 2.365 649 D HA 0.313 4.953 4.640 0.001 0.000 0.237 649 D C 0.696 177.071 176.300 0.126 0.000 1.190 649 D CA 0.010 54.076 54.000 0.110 0.000 0.867 649 D CB 1.552 42.447 40.800 0.157 0.000 1.050 649 D HN 0.747 nan 8.370 nan 0.000 0.491 650 V N 1.942 121.912 119.914 0.095 0.000 3.214 650 V HA 0.529 4.650 4.120 0.001 0.000 0.330 650 V C 1.414 177.562 176.094 0.089 0.000 1.403 650 V CA 0.404 62.758 62.300 0.089 0.000 1.143 650 V CB -0.077 31.784 31.823 0.064 0.000 1.098 650 V HN 0.682 nan 8.190 nan 0.000 0.463 651 G N 1.444 110.305 108.800 0.103 0.000 4.148 651 G HA2 -0.373 3.588 3.960 0.001 0.000 0.221 651 G HA3 -0.373 3.588 3.960 0.001 0.000 0.221 651 G C 0.279 175.218 174.900 0.065 0.000 1.373 651 G CA 0.888 46.045 45.100 0.096 0.000 0.940 651 G HN 1.217 nan 8.290 nan 0.000 0.610 652 K N -0.027 120.403 120.400 0.050 0.000 2.592 652 K HA 0.686 5.006 4.320 0.001 0.000 0.265 652 K C -0.390 176.224 176.600 0.023 0.000 1.006 652 K CA 0.615 56.923 56.287 0.035 0.000 0.907 652 K CB 1.021 33.547 32.500 0.044 0.000 1.309 652 K HN 1.378 nan 8.250 nan 0.000 0.452 653 A N 5.816 128.644 122.820 0.013 0.000 2.444 653 A HA 0.284 4.605 4.320 0.001 0.000 0.287 653 A C 0.805 178.378 177.584 -0.017 0.000 1.195 653 A CA -0.306 51.734 52.037 0.004 0.000 0.858 653 A CB -0.444 18.559 19.000 0.005 0.000 1.117 653 A HN 0.856 nan 8.150 nan 0.000 0.521 654 L N 1.498 122.709 121.223 -0.020 0.000 2.093 654 L HA -0.053 4.288 4.340 0.001 0.000 0.208 654 L C 1.022 177.859 176.870 -0.055 0.000 1.085 654 L CA 0.958 55.770 54.840 -0.047 0.000 0.755 654 L CB -0.176 41.864 42.059 -0.031 0.000 0.904 654 L HN 0.774 nan 8.230 nan 0.000 0.435 655 N N -0.812 117.868 118.700 -0.034 0.000 2.648 655 N HA 0.194 4.934 4.740 0.001 0.000 0.261 655 N C -2.191 173.308 175.510 -0.018 0.000 1.138 655 N CA -1.950 51.081 53.050 -0.032 0.000 0.804 655 N CB 1.534 40.004 38.487 -0.029 0.000 1.237 655 N HN -0.263 nan 8.380 nan 0.000 0.532 656 P HA -0.143 nan 4.420 nan 0.000 0.217 656 P C 1.538 178.837 177.300 -0.002 0.000 1.148 656 P CA 0.579 63.675 63.100 -0.006 0.000 0.828 656 P CB 0.444 32.138 31.700 -0.009 0.000 0.783 657 L N -0.361 120.857 121.223 -0.008 0.000 2.027 657 L HA -0.070 4.271 4.340 0.001 0.000 0.206 657 L C 2.199 179.068 176.870 -0.001 0.000 1.074 657 L CA 2.149 56.986 54.840 -0.005 0.000 0.745 657 L CB -1.509 40.544 42.059 -0.010 0.000 0.898 657 L HN -0.115 nan 8.230 nan 0.000 0.433 658 A N -1.183 121.636 122.820 -0.002 0.000 1.930 658 A HA -0.098 4.223 4.320 0.001 0.000 0.217 658 A C 2.264 179.854 177.584 0.011 0.000 1.175 658 A CA 1.706 53.745 52.037 0.004 0.000 0.627 658 A CB -1.066 17.934 19.000 0.000 0.000 0.815 658 A HN 0.303 nan 8.150 nan 0.000 0.443 659 V N 0.213 120.134 119.914 0.011 0.000 2.287 659 V HA -0.315 3.805 4.120 0.001 0.000 0.248 659 V C 2.442 178.551 176.094 0.025 0.000 1.053 659 V CA 2.461 64.773 62.300 0.021 0.000 1.027 659 V CB -0.859 30.976 31.823 0.020 0.000 0.646 659 V HN 0.658 nan 8.190 nan 0.000 0.447 660 E N 0.089 120.301 120.200 0.019 0.000 2.058 660 E HA -0.192 4.159 4.350 0.001 0.000 0.194 660 E C 2.311 178.922 176.600 0.017 0.000 0.997 660 E CA 1.403 57.815 56.400 0.020 0.000 0.801 660 E CB -0.569 29.139 29.700 0.013 0.000 0.746 660 E HN 0.650 nan 8.360 nan 0.000 0.450 661 G N 0.710 109.517 108.800 0.012 0.000 2.402 661 G HA2 -0.261 3.699 3.960 0.001 0.000 0.216 661 G HA3 -0.261 3.699 3.960 0.001 0.000 0.216 661 G C 1.506 176.422 174.900 0.025 0.000 1.162 661 G CA 0.333 45.438 45.100 0.008 0.000 0.777 661 G HN 0.078 nan 8.290 nan 0.000 0.539 662 Q N 0.229 120.050 119.800 0.035 0.000 2.084 662 Q HA -0.088 4.253 4.340 0.001 0.000 0.202 662 Q C 2.810 178.844 176.000 0.057 0.000 0.978 662 Q CA 1.735 57.569 55.803 0.053 0.000 0.844 662 Q CB -0.839 27.926 28.738 0.044 0.000 0.898 662 Q HN 0.428 nan 8.270 nan 0.000 0.426 663 T N 1.547 116.130 114.554 0.049 0.000 2.777 663 T HA -0.147 4.203 4.350 0.001 0.000 0.266 663 T C 1.919 176.654 174.700 0.059 0.000 1.040 663 T CA 1.267 63.400 62.100 0.055 0.000 1.141 663 T CB -0.082 68.818 68.868 0.053 0.000 0.868 663 T HN 0.335 nan 8.240 nan 0.000 0.444 664 Q N 0.294 120.122 119.800 0.045 0.000 2.084 664 Q HA -0.015 4.325 4.340 0.001 0.000 0.202 664 Q C 2.748 178.792 176.000 0.072 0.000 0.978 664 Q CA 1.372 57.200 55.803 0.041 0.000 0.844 664 Q CB -0.452 28.286 28.738 0.000 0.000 0.898 664 Q HN 0.583 nan 8.270 nan 0.000 0.426 665 G N 0.349 109.189 108.800 0.065 0.000 2.418 665 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 665 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 665 G C 1.336 176.337 174.900 0.168 0.000 1.158 665 G CA 0.774 45.944 45.100 0.117 0.000 0.771 665 G HN 0.470 nan 8.290 nan 0.000 0.545 666 G N 0.418 109.282 108.800 0.106 0.000 2.404 666 G HA2 -0.135 3.826 3.960 0.001 0.000 0.215 666 G HA3 -0.135 3.826 3.960 0.001 0.000 0.215 666 G C 1.788 176.712 174.900 0.040 0.000 1.174 666 G CA 1.200 46.339 45.100 0.063 0.000 0.780 666 G HN 0.303 nan 8.290 nan 0.000 0.537 667 V N -0.318 119.632 119.914 0.060 0.000 2.343 667 V HA -0.168 3.953 4.120 0.001 0.000 0.247 667 V C 2.257 178.291 176.094 -0.100 0.000 1.051 667 V CA 1.898 64.217 62.300 0.031 0.000 1.036 667 V CB -0.592 31.285 31.823 0.090 0.000 0.654 667 V HN 0.656 nan 8.190 nan 0.000 0.451 668 W N 0.079 121.252 121.300 -0.212 0.000 2.363 668 W HA -0.218 4.442 4.660 0.001 0.000 0.296 668 W C 2.438 178.795 176.519 -0.270 0.000 1.212 668 W CA 2.068 59.247 57.345 -0.277 0.000 1.260 668 W CB -0.097 29.254 29.460 -0.182 0.000 1.131 668 W HN 0.225 nan 8.180 nan 0.000 0.530 669 M N 0.247 119.741 119.600 -0.177 0.000 2.229 669 M HA 0.016 4.496 4.480 0.001 0.000 0.264 669 M C 2.047 178.101 176.300 -0.410 0.000 1.063 669 M CA 2.252 57.297 55.300 -0.425 0.000 1.114 669 M CB -0.645 31.846 32.600 -0.182 0.000 1.387 669 M HN 0.093 nan 8.290 nan 0.000 0.420 670 G N 0.672 109.292 108.800 -0.301 0.000 2.402 670 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 670 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 670 G C 1.485 176.195 174.900 -0.317 0.000 1.162 670 G CA 0.748 45.725 45.100 -0.204 0.000 0.777 670 G HN 0.477 nan 8.290 nan 0.000 0.539 671 M N 1.794 120.907 119.600 -0.812 0.000 2.213 671 M HA -0.006 4.475 4.480 0.001 0.000 0.263 671 M C 2.451 178.449 176.300 -0.502 0.000 1.062 671 M CA 1.984 56.651 55.300 -1.055 0.000 1.105 671 M CB -0.967 30.749 32.600 -1.473 0.000 1.385 671 M HN 0.206 nan 8.290 nan 0.000 0.417 672 G N 0.023 108.432 108.800 -0.651 0.000 2.402 672 G HA2 -0.281 3.680 3.960 0.001 0.000 0.216 672 G HA3 -0.281 3.680 3.960 0.001 0.000 0.216 672 G C 1.339 176.083 174.900 -0.260 0.000 1.162 672 G CA 0.855 45.641 45.100 -0.522 0.000 0.777 672 G HN 0.686 nan 8.290 nan 0.000 0.539 673 Q N 0.134 119.819 119.800 -0.192 0.000 2.119 673 Q HA 0.066 4.406 4.340 0.001 0.000 0.201 673 Q C 2.703 178.759 176.000 0.093 0.000 0.972 673 Q CA 1.384 57.163 55.803 -0.040 0.000 0.847 673 Q CB -0.272 28.448 28.738 -0.029 0.000 0.903 673 Q HN 0.394 nan 8.270 nan 0.000 0.433 674 A N 0.300 123.206 122.820 0.145 0.000 1.930 674 A HA -0.062 4.258 4.320 0.001 0.000 0.217 674 A C 1.792 179.552 177.584 0.294 0.000 1.175 674 A CA 1.112 53.378 52.037 0.381 0.000 0.627 674 A CB -0.171 19.154 19.000 0.541 0.000 0.815 674 A HN 0.443 nan 8.150 nan 0.000 0.443 675 L N -1.643 119.659 121.223 0.133 0.000 2.577 675 L HA 0.115 4.456 4.340 0.001 0.000 0.225 675 L C 1.926 178.789 176.870 -0.011 0.000 1.053 675 L CA 1.034 55.913 54.840 0.065 0.000 0.866 675 L CB 0.349 42.444 42.059 0.061 0.000 1.132 675 L HN 0.478 nan 8.230 nan 0.000 0.486 676 S N -2.810 112.846 115.700 -0.072 0.000 2.661 676 S HA 0.195 4.665 4.470 0.001 0.000 0.275 676 S C 0.290 174.764 174.600 -0.210 0.000 1.075 676 S CA -0.552 57.578 58.200 -0.117 0.000 1.251 676 S CB 0.369 63.499 63.200 -0.116 0.000 1.167 676 S HN 0.150 nan 8.310 nan 0.000 0.648 677 E N 2.334 122.388 120.200 -0.244 0.000 2.259 677 E HA 0.516 4.866 4.350 0.001 0.000 0.281 677 E C -0.467 175.985 176.600 -0.248 0.000 1.027 677 E CA -0.219 55.920 56.400 -0.434 0.000 0.838 677 E CB 0.803 30.286 29.700 -0.362 0.000 1.066 677 E HN 0.661 nan 8.360 nan 0.000 0.401 678 E N 0.872 120.878 120.200 -0.325 0.000 2.422 678 E HA 0.175 4.526 4.350 0.001 0.000 0.289 678 E C -1.147 175.425 176.600 -0.048 0.000 0.985 678 E CA -0.886 55.487 56.400 -0.046 0.000 0.812 678 E CB 0.868 30.566 29.700 -0.004 0.000 1.226 678 E HN 0.406 nan 8.360 nan 0.000 0.419 679 T N -0.414 114.105 114.554 -0.059 0.000 2.882 679 T HA 0.601 4.951 4.350 0.001 0.000 0.287 679 T C 0.044 174.578 174.700 -0.276 0.000 1.014 679 T CA -0.584 61.165 62.100 -0.585 0.000 1.049 679 T CB 1.285 69.710 68.868 -0.738 0.000 1.001 679 T HN 0.345 nan 8.240 nan 0.000 0.525 680 V N 2.180 121.925 119.914 -0.282 0.000 2.612 680 V HA 0.418 4.539 4.120 0.001 0.000 0.301 680 V C -1.497 174.468 176.094 -0.216 0.000 1.059 680 V CA -0.997 61.244 62.300 -0.098 0.000 0.886 680 V CB 1.300 33.104 31.823 -0.031 0.000 1.007 680 V HN 0.937 nan 8.190 nan 0.000 0.426 681 Y N 1.902 122.248 120.300 0.076 0.000 2.468 681 Y HA 0.683 5.234 4.550 0.001 0.000 0.342 681 Y C -0.087 175.828 175.900 0.026 0.000 1.021 681 Y CA -0.787 57.350 58.100 0.062 0.000 1.079 681 Y CB 1.999 40.491 38.460 0.053 0.000 1.226 681 Y HN 0.637 nan 8.280 nan 0.000 0.460 682 D N 2.470 122.965 120.400 0.158 0.000 2.389 682 D HA 0.118 4.759 4.640 0.001 0.000 0.256 682 D C -0.411 175.938 176.300 0.080 0.000 1.239 682 D CA -0.338 53.712 54.000 0.083 0.000 0.925 682 D CB 0.098 40.921 40.800 0.039 0.000 1.145 682 D HN 0.710 nan 8.370 nan 0.000 0.542 683 N N 3.439 122.179 118.700 0.066 0.000 2.725 683 N HA -0.284 4.456 4.740 0.001 0.000 0.251 683 N C 0.894 176.435 175.510 0.051 0.000 1.031 683 N CA 0.962 54.035 53.050 0.038 0.000 0.720 683 N CB -0.924 37.574 38.487 0.018 0.000 0.930 683 N HN 0.846 nan 8.380 nan 0.000 0.543 684 G N -0.341 108.513 108.800 0.090 0.000 2.268 684 G HA2 -0.328 3.633 3.960 0.001 0.000 0.240 684 G HA3 -0.328 3.633 3.960 0.001 0.000 0.240 684 G C 0.099 175.115 174.900 0.194 0.000 1.010 684 G CA 0.458 45.618 45.100 0.100 0.000 0.618 684 G HN 0.545 nan 8.290 nan 0.000 0.516 685 R N 0.538 121.136 120.500 0.164 0.000 2.340 685 R HA 0.544 4.884 4.340 0.001 0.000 0.300 685 R C 0.696 177.086 176.300 0.149 0.000 1.069 685 R CA -0.416 55.763 56.100 0.131 0.000 0.984 685 R CB 0.981 31.308 30.300 0.045 0.000 1.003 685 R HN 0.411 nan 8.270 nan 0.000 0.459 686 M N 3.519 123.162 119.600 0.072 0.000 2.219 686 M HA 0.025 4.506 4.480 0.001 0.000 0.353 686 M C 0.056 176.190 176.300 -0.276 0.000 1.304 686 M CA 0.148 55.298 55.300 -0.249 0.000 1.115 686 M CB 0.956 33.384 32.600 -0.286 0.000 1.664 686 M HN 0.477 nan 8.290 nan 0.000 0.459 687 V N 4.088 123.824 119.914 -0.297 0.000 3.379 687 V HA -0.044 4.077 4.120 0.001 0.000 0.249 687 V C 1.683 177.640 176.094 -0.228 0.000 1.184 687 V CA 0.670 62.859 62.300 -0.185 0.000 1.106 687 V CB -0.705 31.066 31.823 -0.087 0.000 0.826 687 V HN 0.954 nan 8.190 nan 0.000 0.465 688 H N 0.297 119.177 119.070 -0.317 0.000 2.538 688 H HA 0.237 4.793 4.556 0.001 0.000 0.286 688 H C 1.473 176.440 175.328 -0.602 0.000 1.035 688 H CA 0.397 56.243 56.048 -0.337 0.000 1.169 688 H CB -0.224 29.376 29.762 -0.269 0.000 1.417 688 H HN 0.330 nan 8.280 nan 0.000 0.567 689 G N 1.820 110.081 108.800 -0.899 0.000 3.324 689 G HA2 -0.002 3.958 3.960 0.001 0.000 0.232 689 G HA3 -0.002 3.958 3.960 0.001 0.000 0.232 689 G C -0.296 174.419 174.900 -0.308 0.000 1.213 689 G CA -0.016 44.629 45.100 -0.760 0.000 1.637 689 G HN 0.716 nan 8.290 nan 0.000 0.572 690 N N -1.870 116.662 118.700 -0.280 0.000 3.046 690 N HA 0.261 5.002 4.740 0.001 0.000 0.243 690 N C -0.025 175.625 175.510 0.234 0.000 1.452 690 N CA -1.042 52.075 53.050 0.113 0.000 0.882 690 N CB 0.573 39.083 38.487 0.037 0.000 1.425 690 N HN -0.118 nan 8.380 nan 0.000 0.517 691 I N 0.130 120.873 120.570 0.288 0.000 3.812 691 I HA 0.180 4.350 4.170 0.001 0.000 0.319 691 I C 0.555 176.781 176.117 0.182 0.000 1.353 691 I CA -0.052 61.431 61.300 0.305 0.000 1.170 691 I CB -0.269 37.887 38.000 0.261 0.000 1.057 691 I HN 0.454 nan 8.210 nan 0.000 0.411 692 L N 0.696 121.992 121.223 0.121 0.000 2.347 692 L HA 0.222 4.563 4.340 0.001 0.000 0.196 692 L C 1.524 178.422 176.870 0.047 0.000 1.072 692 L CA 1.841 56.722 54.840 0.069 0.000 0.817 692 L CB -0.146 41.939 42.059 0.043 0.000 1.029 692 L HN 0.006 nan 8.230 nan 0.000 0.478 693 D N -1.471 118.951 120.400 0.037 0.000 2.348 693 D HA -0.028 4.612 4.640 0.001 0.000 0.211 693 D C -0.326 175.987 176.300 0.022 0.000 0.998 693 D CA 0.441 54.446 54.000 0.010 0.000 0.873 693 D CB 0.113 40.905 40.800 -0.014 0.000 0.925 693 D HN 0.288 nan 8.370 nan 0.000 0.524 694 Y N 1.825 122.117 120.300 -0.014 0.000 2.434 694 Y HA 0.273 4.824 4.550 0.001 0.000 0.341 694 Y C -0.049 175.889 175.900 0.064 0.000 0.965 694 Y CA -0.917 57.194 58.100 0.018 0.000 1.205 694 Y CB 0.317 38.808 38.460 0.051 0.000 1.121 694 Y HN -0.340 nan 8.280 nan 0.000 0.507 695 R N 5.614 125.905 120.500 -0.348 0.000 3.268 695 R HA 0.203 4.544 4.340 0.001 0.000 0.217 695 R C -0.638 175.572 176.300 -0.151 0.000 1.568 695 R CA -0.357 55.637 56.100 -0.176 0.000 1.322 695 R CB -0.248 29.963 30.300 -0.148 0.000 1.280 695 R HN 0.384 nan 8.270 nan 0.000 0.667 696 V N 4.161 124.092 119.914 0.028 0.000 2.599 696 V HA 0.019 4.139 4.120 0.001 0.000 0.300 696 V C -1.639 174.504 176.094 0.081 0.000 1.034 696 V CA -1.146 61.202 62.300 0.079 0.000 1.115 696 V CB 0.457 32.427 31.823 0.244 0.000 0.934 696 V HN 0.418 nan 8.190 nan 0.000 0.485 697 P HA 0.135 nan 4.420 nan 0.000 0.266 697 P C 0.111 177.578 177.300 0.279 0.000 1.195 697 P CA 0.087 63.265 63.100 0.130 0.000 0.768 697 P CB 0.315 32.049 31.700 0.057 0.000 0.838 698 T N -0.475 114.179 114.554 0.167 0.000 2.862 698 T HA 0.267 4.618 4.350 0.001 0.000 0.276 698 T C 1.204 175.979 174.700 0.125 0.000 0.974 698 T CA -0.705 61.474 62.100 0.131 0.000 0.966 698 T CB 0.391 69.304 68.868 0.074 0.000 1.072 698 T HN 0.309 nan 8.240 nan 0.000 0.538 699 I N 0.816 121.421 120.570 0.057 0.000 2.567 699 I HA -0.105 4.065 4.170 0.001 0.000 0.257 699 I C 1.889 178.028 176.117 0.036 0.000 1.184 699 I CA 0.992 62.304 61.300 0.020 0.000 1.451 699 I CB -0.121 37.866 38.000 -0.022 0.000 1.089 699 I HN 0.572 nan 8.210 nan 0.000 0.441 700 V N 1.877 121.816 119.914 0.043 0.000 2.307 700 V HA -0.219 3.902 4.120 0.001 0.000 0.245 700 V C 2.484 178.607 176.094 0.049 0.000 1.045 700 V CA 2.160 64.484 62.300 0.040 0.000 1.024 700 V CB -0.869 30.975 31.823 0.034 0.000 0.651 700 V HN 0.588 nan 8.190 nan 0.000 0.449 701 E N 0.390 120.623 120.200 0.055 0.000 2.442 701 E HA 0.005 4.355 4.350 0.001 0.000 0.195 701 E C 0.886 177.523 176.600 0.061 0.000 1.030 701 E CA 0.177 56.605 56.400 0.046 0.000 0.869 701 E CB -0.083 29.635 29.700 0.031 0.000 0.857 701 E HN 0.481 nan 8.360 nan 0.000 0.505 702 S N 4.307 120.070 115.700 0.105 0.000 2.537 702 S HA 0.159 4.630 4.470 0.001 0.000 0.286 702 S C -1.919 172.738 174.600 0.095 0.000 1.299 702 S CA -0.787 57.508 58.200 0.158 0.000 1.067 702 S CB 0.668 64.015 63.200 0.246 0.000 0.864 702 S HN 0.294 nan 8.310 nan 0.000 0.494 703 P HA 0.177 nan 4.420 nan 0.000 0.274 703 P C -0.628 176.688 177.300 0.027 0.000 1.246 703 P CA -0.463 62.673 63.100 0.061 0.000 0.795 703 P CB 0.539 32.295 31.700 0.092 0.000 1.006 704 D N 0.277 120.668 120.400 -0.015 0.000 2.304 704 D HA 0.354 4.995 4.640 0.001 0.000 0.247 704 D C -0.592 175.647 176.300 -0.102 0.000 1.089 704 D CA -0.147 53.818 54.000 -0.058 0.000 0.910 704 D CB 0.110 40.862 40.800 -0.079 0.000 1.199 704 D HN 0.194 nan 8.370 nan 0.000 0.426 705 I N 2.285 122.801 120.570 -0.089 0.000 2.468 705 I HA 0.207 4.378 4.170 0.001 0.000 0.285 705 I C -0.251 175.816 176.117 -0.084 0.000 1.039 705 I CA -0.751 60.497 61.300 -0.088 0.000 1.074 705 I CB 1.920 39.914 38.000 -0.011 0.000 1.228 705 I HN 0.331 nan 8.210 nan 0.000 0.436 706 E N 6.130 126.254 120.200 -0.126 0.000 2.134 706 E HA 0.510 4.860 4.350 0.001 0.000 0.278 706 E C -1.425 175.200 176.600 0.042 0.000 0.959 706 E CA -0.597 55.780 56.400 -0.039 0.000 0.783 706 E CB 1.728 31.404 29.700 -0.041 0.000 1.095 706 E HN 0.354 nan 8.360 nan 0.000 0.399 707 V N 6.437 126.382 119.914 0.051 0.000 2.427 707 V HA 0.382 4.503 4.120 0.001 0.000 0.286 707 V C 0.058 176.197 176.094 0.075 0.000 1.034 707 V CA -0.575 61.765 62.300 0.066 0.000 0.893 707 V CB 1.337 33.189 31.823 0.047 0.000 0.982 707 V HN 0.634 nan 8.190 nan 0.000 0.452 708 I N 5.647 126.267 120.570 0.084 0.000 2.389 708 I HA 0.466 4.636 4.170 0.001 0.000 0.288 708 I C -0.397 175.754 176.117 0.056 0.000 0.999 708 I CA -0.337 61.007 61.300 0.073 0.000 1.129 708 I CB 1.735 39.786 38.000 0.085 0.000 1.288 708 I HN 0.425 nan 8.210 nan 0.000 0.444 709 I N 6.672 127.268 120.570 0.044 0.000 2.365 709 I HA 0.331 4.501 4.170 0.001 0.000 0.291 709 I C -0.378 175.759 176.117 0.033 0.000 1.004 709 I CA -0.649 60.674 61.300 0.039 0.000 1.311 709 I CB 1.525 39.544 38.000 0.031 0.000 1.401 709 I HN 0.203 nan 8.210 nan 0.000 0.491 710 V N 6.266 126.201 119.914 0.035 0.000 2.495 710 V HA 0.296 4.416 4.120 0.001 0.000 0.298 710 V C -0.295 175.822 176.094 0.038 0.000 1.031 710 V CA -0.620 61.696 62.300 0.028 0.000 0.871 710 V CB 1.815 33.647 31.823 0.016 0.000 0.988 710 V HN 0.695 nan 8.190 nan 0.000 0.432 711 E N 2.413 122.633 120.200 0.034 0.000 2.346 711 E HA 0.197 4.548 4.350 0.001 0.000 0.239 711 E C 0.483 177.113 176.600 0.049 0.000 0.943 711 E CA -0.144 56.282 56.400 0.044 0.000 0.751 711 E CB 1.231 30.951 29.700 0.034 0.000 1.241 711 E HN 0.777 nan 8.360 nan 0.000 0.423 712 S N 2.610 118.350 115.700 0.067 0.000 2.607 712 S HA -0.052 4.418 4.470 0.001 0.000 0.224 712 S C 0.983 175.634 174.600 0.085 0.000 0.969 712 S CA -0.243 58.002 58.200 0.076 0.000 0.927 712 S CB -0.166 63.096 63.200 0.103 0.000 0.772 712 S HN 0.542 nan 8.310 nan 0.000 0.533 713 M N 2.435 122.082 119.600 0.077 0.000 3.822 713 M HA -0.128 4.352 4.480 0.001 0.000 0.160 713 M C -0.351 175.999 176.300 0.084 0.000 1.492 713 M CA 0.386 55.727 55.300 0.070 0.000 1.027 713 M CB -2.119 30.515 32.600 0.057 0.000 1.327 713 M HN 0.563 nan 8.290 nan 0.000 0.389 714 D N 5.311 125.769 120.400 0.097 0.000 2.425 714 D HA 0.139 4.779 4.640 0.001 0.000 0.247 714 D C -1.149 175.197 176.300 0.076 0.000 1.147 714 D CA -0.998 53.076 54.000 0.123 0.000 0.879 714 D CB 1.250 42.158 40.800 0.180 0.000 1.179 714 D HN 0.302 nan 8.370 nan 0.000 0.456 715 P HA -0.111 nan 4.420 nan 0.000 0.222 715 P C 0.177 177.492 177.300 0.025 0.000 1.147 715 P CA 1.144 64.279 63.100 0.058 0.000 0.790 715 P CB 0.340 32.093 31.700 0.088 0.000 0.780 716 N N -1.028 117.700 118.700 0.047 0.000 2.220 716 N HA 0.140 4.880 4.740 0.001 0.000 0.195 716 N C 1.090 176.474 175.510 -0.210 0.000 1.123 716 N CA -0.079 52.986 53.050 0.024 0.000 0.874 716 N CB 0.177 38.732 38.487 0.113 0.000 0.995 716 N HN 0.074 nan 8.380 nan 0.000 0.498 717 G N 1.559 110.153 108.800 -0.344 0.000 2.507 717 G HA2 0.238 4.199 3.960 0.001 0.000 0.271 717 G HA3 0.238 4.199 3.960 0.001 0.000 0.271 717 G C -2.456 172.051 174.900 -0.655 0.000 1.189 717 G CA -1.103 43.408 45.100 -0.982 0.000 0.859 717 G HN -0.089 nan 8.290 nan 0.000 0.542 718 P HA 0.030 nan 4.420 nan 0.000 0.260 718 P C -0.328 176.854 177.300 -0.197 0.000 1.207 718 P CA 0.239 63.064 63.100 -0.459 0.000 0.780 718 P CB -0.050 31.439 31.700 -0.351 0.000 0.789 719 F N 2.998 122.838 119.950 -0.184 0.000 3.069 719 F HA -0.223 4.305 4.527 0.001 0.000 0.285 719 F C 1.533 177.270 175.800 -0.105 0.000 0.827 719 F CA 1.683 59.611 58.000 -0.120 0.000 1.108 719 F CB -2.460 36.480 39.000 -0.101 0.000 1.252 719 F HN 0.644 nan 8.300 nan 0.000 0.483 720 G N -1.457 107.317 108.800 -0.043 0.000 2.175 720 G HA2 0.110 4.071 3.960 0.001 0.000 0.244 720 G HA3 0.110 4.071 3.960 0.001 0.000 0.244 720 G C 0.335 175.227 174.900 -0.013 0.000 0.982 720 G CA 0.009 45.098 45.100 -0.018 0.000 0.641 720 G HN 1.531 nan 8.290 nan 0.000 0.527 721 A N -0.167 122.614 122.820 -0.064 0.000 2.351 721 A HA 0.751 5.072 4.320 0.001 0.000 0.257 721 A C 0.548 178.133 177.584 0.002 0.000 1.087 721 A CA 0.572 52.590 52.037 -0.033 0.000 0.798 721 A CB 0.629 19.603 19.000 -0.044 0.000 1.033 721 A HN 0.432 nan 8.150 nan 0.000 0.488 722 K N -0.129 120.332 120.400 0.101 0.000 2.261 722 K HA 0.399 4.719 4.320 0.001 0.000 0.242 722 K C -0.308 176.368 176.600 0.126 0.000 1.083 722 K CA -0.698 55.707 56.287 0.197 0.000 0.880 722 K CB 1.131 33.736 32.500 0.175 0.000 1.353 722 K HN 0.889 nan 8.250 nan 0.000 0.486 723 E N -0.304 119.962 120.200 0.111 0.000 2.416 723 E HA 0.274 4.625 4.350 0.001 0.000 0.254 723 E C -0.388 176.253 176.600 0.068 0.000 1.241 723 E CA -0.240 56.207 56.400 0.079 0.000 0.969 723 E CB 0.554 30.300 29.700 0.077 0.000 0.999 723 E HN 0.551 nan 8.360 nan 0.000 0.481 724 A N 0.339 123.192 122.820 0.055 0.000 2.602 724 A HA 0.253 4.573 4.320 0.001 0.000 0.238 724 A C 0.490 178.101 177.584 0.044 0.000 0.863 724 A CA 0.137 52.205 52.037 0.051 0.000 1.148 724 A CB -0.431 18.595 19.000 0.043 0.000 1.227 724 A HN 0.633 nan 8.150 nan 0.000 0.460 725 S N -1.817 113.907 115.700 0.039 0.000 2.651 725 S HA 0.214 4.684 4.470 0.001 0.000 0.259 725 S C 0.836 175.431 174.600 -0.007 0.000 1.073 725 S CA 0.518 58.734 58.200 0.028 0.000 1.090 725 S CB 0.030 63.246 63.200 0.028 0.000 1.042 725 S HN 0.317 nan 8.310 nan 0.000 0.581 726 E N 1.112 121.288 120.200 -0.041 0.000 2.391 726 E HA 0.234 4.584 4.350 0.001 0.000 0.206 726 E C 1.859 178.403 176.600 -0.094 0.000 0.851 726 E CA 0.393 56.685 56.400 -0.180 0.000 1.059 726 E CB -0.160 29.218 29.700 -0.537 0.000 1.065 726 E HN 0.522 nan 8.360 nan 0.000 0.512 727 G N 2.188 111.018 108.800 0.050 0.000 2.527 727 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 727 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 727 G C 1.563 176.506 174.900 0.071 0.000 1.117 727 G CA 0.960 46.120 45.100 0.101 0.000 0.759 727 G HN 0.169 nan 8.290 nan 0.000 0.556 728 M N -0.518 119.111 119.600 0.047 0.000 2.337 728 M HA 0.398 4.878 4.480 0.001 0.000 0.256 728 M C 1.771 178.104 176.300 0.056 0.000 1.075 728 M CA 0.223 55.561 55.300 0.063 0.000 1.024 728 M CB -0.654 31.989 32.600 0.073 0.000 1.429 728 M HN 0.140 nan 8.290 nan 0.000 0.497 729 L N 1.831 123.060 121.223 0.010 0.000 1.988 729 L HA -0.017 4.324 4.340 0.001 0.000 0.207 729 L C 2.673 179.552 176.870 0.015 0.000 1.071 729 L CA 1.871 56.706 54.840 -0.007 0.000 0.744 729 L CB -0.445 41.570 42.059 -0.073 0.000 0.893 729 L HN 0.369 nan 8.230 nan 0.000 0.433 730 A N -0.049 122.763 122.820 -0.013 0.000 1.917 730 A HA -0.216 4.104 4.320 0.001 0.000 0.219 730 A C 2.285 179.886 177.584 0.027 0.000 1.182 730 A CA 1.788 53.811 52.037 -0.023 0.000 0.633 730 A CB -1.690 17.284 19.000 -0.043 0.000 0.819 730 A HN 0.591 nan 8.150 nan 0.000 0.448 731 G N -1.684 107.156 108.800 0.066 0.000 2.485 731 G HA2 -0.263 3.698 3.960 0.001 0.000 0.221 731 G HA3 -0.263 3.698 3.960 0.001 0.000 0.221 731 G C 1.384 176.355 174.900 0.119 0.000 1.115 731 G CA 1.092 46.243 45.100 0.085 0.000 0.751 731 G HN 0.512 nan 8.290 nan 0.000 0.567 732 F N 0.661 120.629 119.950 0.030 0.000 2.134 732 F HA -0.024 4.504 4.527 0.001 0.000 0.299 732 F C 2.365 178.214 175.800 0.082 0.000 1.097 732 F CA 0.923 58.956 58.000 0.056 0.000 1.264 732 F CB -0.069 38.948 39.000 0.029 0.000 1.001 732 F HN 0.059 nan 8.300 nan 0.000 0.479 733 L N 1.117 122.451 121.223 0.184 0.000 1.970 733 L HA -0.192 4.148 4.340 0.001 0.000 0.212 733 L C -0.393 176.577 176.870 0.167 0.000 1.071 733 L CA 2.349 57.268 54.840 0.132 0.000 0.751 733 L CB -2.357 39.569 42.059 -0.221 0.000 0.889 733 L HN 0.092 nan 8.230 nan 0.000 0.432 734 P HA -0.168 nan 4.420 nan 0.000 0.217 734 P C 1.405 178.791 177.300 0.143 0.000 1.150 734 P CA 1.955 65.123 63.100 0.113 0.000 0.832 734 P CB -0.003 31.718 31.700 0.035 0.000 0.787 735 A N 0.416 123.262 122.820 0.044 0.000 1.883 735 A HA -0.175 4.146 4.320 0.001 0.000 0.217 735 A C 2.333 179.905 177.584 -0.021 0.000 1.186 735 A CA 1.629 53.676 52.037 0.017 0.000 0.624 735 A CB -1.710 17.261 19.000 -0.048 0.000 0.822 735 A HN 0.220 nan 8.150 nan 0.000 0.444 736 I N -1.493 118.962 120.570 -0.191 0.000 2.676 736 I HA -0.174 3.997 4.170 0.001 0.000 0.259 736 I C 2.249 178.404 176.117 0.063 0.000 1.194 736 I CA 1.600 62.805 61.300 -0.159 0.000 1.473 736 I CB -0.164 37.615 38.000 -0.368 0.000 1.096 736 I HN 0.635 nan 8.210 nan 0.000 0.443 737 H N 0.740 119.854 119.070 0.074 0.000 2.353 737 H HA -0.245 4.311 4.556 0.001 0.000 0.300 737 H C 2.194 177.596 175.328 0.124 0.000 1.090 737 H CA 2.272 58.392 56.048 0.121 0.000 1.327 737 H CB 0.006 29.905 29.762 0.229 0.000 1.383 737 H HN 0.434 nan 8.280 nan 0.000 0.508 738 E N -0.022 120.334 120.200 0.261 0.000 2.072 738 E HA -0.169 4.181 4.350 0.001 0.000 0.191 738 E C 2.288 178.988 176.600 0.167 0.000 0.985 738 E CA 0.856 57.392 56.400 0.227 0.000 0.801 738 E CB -0.270 29.584 29.700 0.256 0.000 0.750 738 E HN 0.602 nan 8.360 nan 0.000 0.452 739 A N 0.567 123.458 122.820 0.119 0.000 1.933 739 A HA -0.129 4.191 4.320 0.001 0.000 0.218 739 A C 2.365 179.970 177.584 0.035 0.000 1.175 739 A CA 1.360 53.445 52.037 0.079 0.000 0.628 739 A CB -0.541 18.501 19.000 0.070 0.000 0.814 739 A HN 0.243 nan 8.150 nan 0.000 0.444 740 V N -1.508 118.414 119.914 0.013 0.000 2.427 740 V HA -0.230 3.891 4.120 0.001 0.000 0.248 740 V C 2.301 178.377 176.094 -0.029 0.000 1.051 740 V CA 1.915 64.200 62.300 -0.026 0.000 1.048 740 V CB -0.904 30.881 31.823 -0.064 0.000 0.666 740 V HN 0.739 nan 8.190 nan 0.000 0.456 741 Y N 1.442 121.663 120.300 -0.133 0.000 2.181 741 Y HA -0.238 4.312 4.550 0.001 0.000 0.288 741 Y C 2.591 178.456 175.900 -0.060 0.000 1.146 741 Y CA 2.243 60.275 58.100 -0.113 0.000 1.164 741 Y CB -0.211 38.182 38.460 -0.111 0.000 0.982 741 Y HN 0.418 nan 8.280 nan 0.000 0.515 742 E N -0.121 119.980 120.200 -0.165 0.000 2.150 742 E HA -0.146 4.204 4.350 0.001 0.000 0.193 742 E C 2.169 178.652 176.600 -0.194 0.000 0.985 742 E CA 0.957 57.221 56.400 -0.227 0.000 0.814 742 E CB -0.258 29.395 29.700 -0.078 0.000 0.752 742 E HN 0.535 nan 8.360 nan 0.000 0.466 743 A N 0.552 123.300 122.820 -0.121 0.000 1.872 743 A HA -0.074 4.247 4.320 0.001 0.000 0.214 743 A C 2.047 179.567 177.584 -0.106 0.000 1.187 743 A CA 1.689 53.675 52.037 -0.085 0.000 0.614 743 A CB -0.044 18.935 19.000 -0.034 0.000 0.826 743 A HN 0.379 nan 8.150 nan 0.000 0.442 744 V N -5.705 114.132 119.914 -0.129 0.000 3.337 744 V HA 0.589 4.709 4.120 0.001 0.000 0.307 744 V C 1.053 177.060 176.094 -0.145 0.000 1.505 744 V CA 0.493 62.725 62.300 -0.114 0.000 1.072 744 V CB -0.572 31.210 31.823 -0.068 0.000 0.929 744 V HN 1.575 nan 8.190 nan 0.000 0.455 745 G N 1.251 109.891 108.800 -0.267 0.000 2.160 745 G HA2 -0.148 3.813 3.960 0.001 0.000 0.251 745 G HA3 -0.148 3.813 3.960 0.001 0.000 0.251 745 G C 0.118 175.016 174.900 -0.004 0.000 1.008 745 G CA 0.772 45.685 45.100 -0.312 0.000 0.724 745 G HN 1.915 nan 8.290 nan 0.000 0.514 746 V N -3.684 116.263 119.914 0.056 0.000 2.815 746 V HA 0.890 5.010 4.120 0.001 0.000 0.314 746 V C 0.161 176.316 176.094 0.100 0.000 1.064 746 V CA -1.706 60.644 62.300 0.084 0.000 0.952 746 V CB 1.910 33.731 31.823 -0.003 0.000 1.020 746 V HN 0.220 nan 8.190 nan 0.000 0.439 747 R N 2.581 123.097 120.500 0.027 0.000 2.310 747 R HA 0.673 5.014 4.340 0.001 0.000 0.316 747 R C 0.017 176.302 176.300 -0.024 0.000 1.004 747 R CA -0.267 55.791 56.100 -0.069 0.000 0.900 747 R CB 1.619 31.897 30.300 -0.036 0.000 1.152 747 R HN 1.065 nan 8.270 nan 0.000 0.513 748 A N 1.444 124.215 122.820 -0.082 0.000 2.445 748 A HA 0.190 4.511 4.320 0.001 0.000 0.242 748 A C 1.089 178.719 177.584 0.076 0.000 1.075 748 A CA 0.041 52.046 52.037 -0.053 0.000 0.777 748 A CB 0.370 19.253 19.000 -0.195 0.000 1.013 748 A HN 0.782 nan 8.150 nan 0.000 0.493 749 T N -1.765 112.739 114.554 -0.083 0.000 2.975 749 T HA 0.232 4.582 4.350 0.001 0.000 0.261 749 T C -0.287 174.337 174.700 -0.128 0.000 0.984 749 T CA 0.061 62.107 62.100 -0.089 0.000 0.911 749 T CB 0.093 68.837 68.868 -0.207 0.000 1.127 749 T HN 0.580 nan 8.240 nan 0.000 0.514 750 D N 1.153 121.414 120.400 -0.231 0.000 2.502 750 D HA 0.497 5.138 4.640 0.001 0.000 0.249 750 D C -1.299 174.793 176.300 -0.347 0.000 1.092 750 D CA -0.425 53.449 54.000 -0.211 0.000 0.839 750 D CB 1.677 42.429 40.800 -0.079 0.000 1.264 750 D HN 0.135 nan 8.370 nan 0.000 0.511 751 F N 2.121 121.945 119.950 -0.211 0.000 2.425 751 F HA 0.354 4.881 4.527 0.001 0.000 0.331 751 F C -1.708 174.086 175.800 -0.011 0.000 1.085 751 F CA -1.961 55.988 58.000 -0.084 0.000 1.028 751 F CB 1.370 40.335 39.000 -0.058 0.000 1.177 751 F HN 0.017 nan 8.300 nan 0.000 0.487 752 P HA 0.140 nan 4.420 nan 0.000 0.276 752 P C -0.336 176.951 177.300 -0.022 0.000 1.244 752 P CA -0.277 62.907 63.100 0.140 0.000 0.801 752 P CB 1.142 32.890 31.700 0.080 0.000 1.006 753 L N 1.022 122.220 121.223 -0.042 0.000 2.821 753 L HA 0.074 4.414 4.340 0.001 0.000 0.239 753 L C 1.237 178.082 176.870 -0.043 0.000 1.391 753 L CA -0.162 54.614 54.840 -0.107 0.000 1.231 753 L CB -1.254 40.746 42.059 -0.098 0.000 1.598 753 L HN 0.385 nan 8.230 nan 0.000 0.428 754 S N -0.958 114.720 115.700 -0.036 0.000 2.608 754 S HA 0.223 4.693 4.470 0.001 0.000 0.261 754 S C -1.626 172.955 174.600 -0.032 0.000 1.314 754 S CA -1.129 57.054 58.200 -0.029 0.000 0.992 754 S CB 0.646 63.828 63.200 -0.030 0.000 0.935 754 S HN 0.072 nan 8.310 nan 0.000 0.564 755 P HA -0.177 nan 4.420 nan 0.000 0.216 755 P C 1.181 178.466 177.300 -0.024 0.000 1.153 755 P CA 1.591 64.677 63.100 -0.023 0.000 0.858 755 P CB -0.163 31.526 31.700 -0.018 0.000 0.789 756 D N -0.265 120.121 120.400 -0.023 0.000 2.117 756 D HA -0.197 4.444 4.640 0.001 0.000 0.197 756 D C 1.780 178.065 176.300 -0.026 0.000 0.987 756 D CA 1.417 55.405 54.000 -0.021 0.000 0.829 756 D CB -0.916 39.874 40.800 -0.017 0.000 0.961 756 D HN 0.203 nan 8.370 nan 0.000 0.460 757 R N -0.152 120.328 120.500 -0.034 0.000 2.073 757 R HA 0.046 4.386 4.340 0.001 0.000 0.229 757 R C 2.536 178.806 176.300 -0.051 0.000 1.120 757 R CA 0.513 56.586 56.100 -0.045 0.000 0.967 757 R CB -0.090 30.172 30.300 -0.065 0.000 0.862 757 R HN 0.216 nan 8.270 nan 0.000 0.436 758 I N 1.320 121.859 120.570 -0.051 0.000 2.179 758 I HA -0.221 3.950 4.170 0.001 0.000 0.242 758 I C 2.615 178.710 176.117 -0.036 0.000 1.088 758 I CA 1.937 63.207 61.300 -0.049 0.000 1.357 758 I CB -1.559 36.415 38.000 -0.044 0.000 1.051 758 I HN 0.294 nan 8.210 nan 0.000 0.409 759 T N -1.957 112.580 114.554 -0.029 0.000 2.881 759 T HA -0.163 4.187 4.350 0.001 0.000 0.270 759 T C 1.718 176.404 174.700 -0.022 0.000 1.068 759 T CA 1.165 63.251 62.100 -0.023 0.000 1.131 759 T CB -0.347 68.510 68.868 -0.019 0.000 0.871 759 T HN 0.357 nan 8.240 nan 0.000 0.479 760 E N 0.637 120.823 120.200 -0.024 0.000 2.106 760 E HA 0.045 4.396 4.350 0.001 0.000 0.192 760 E C 2.129 178.715 176.600 -0.024 0.000 0.984 760 E CA 0.773 57.160 56.400 -0.022 0.000 0.806 760 E CB -0.219 29.468 29.700 -0.022 0.000 0.750 760 E HN 0.509 nan 8.360 nan 0.000 0.458 761 L N 0.499 121.703 121.223 -0.030 0.000 2.093 761 L HA -0.176 4.165 4.340 0.001 0.000 0.208 761 L C 2.360 179.216 176.870 -0.023 0.000 1.085 761 L CA 0.728 55.551 54.840 -0.030 0.000 0.755 761 L CB -0.239 41.796 42.059 -0.039 0.000 0.904 761 L HN 0.197 nan 8.230 nan 0.000 0.435 762 L N -0.574 120.634 121.223 -0.025 0.000 2.093 762 L HA -0.193 4.147 4.340 0.001 0.000 0.208 762 L C 2.091 178.950 176.870 -0.018 0.000 1.085 762 L CA 0.931 55.758 54.840 -0.022 0.000 0.755 762 L CB -0.476 41.569 42.059 -0.024 0.000 0.904 762 L HN 0.283 nan 8.230 nan 0.000 0.435 763 D N -0.025 120.365 120.400 -0.017 0.000 2.183 763 D HA -0.089 4.551 4.640 0.001 0.000 0.203 763 D C 2.165 178.457 176.300 -0.013 0.000 0.969 763 D CA 1.292 55.284 54.000 -0.014 0.000 0.842 763 D CB 0.153 40.945 40.800 -0.013 0.000 0.957 763 D HN 0.294 nan 8.370 nan 0.000 0.484 764 A N 1.179 123.991 122.820 -0.014 0.000 1.898 764 A HA -0.130 4.190 4.320 0.001 0.000 0.214 764 A C 2.052 179.631 177.584 -0.010 0.000 1.183 764 A CA 1.209 53.239 52.037 -0.012 0.000 0.622 764 A CB -0.380 18.612 19.000 -0.014 0.000 0.824 764 A HN 0.117 nan 8.150 nan 0.000 0.444 765 K N 0.012 120.407 120.400 -0.009 0.000 2.280 765 K HA -0.140 4.181 4.320 0.001 0.000 0.202 765 K C 1.621 178.216 176.600 -0.008 0.000 1.047 765 K CA 1.669 57.953 56.287 -0.005 0.000 0.942 765 K CB -0.097 32.401 32.500 -0.004 0.000 0.739 765 K HN 0.600 nan 8.250 nan 0.000 0.457 766 E N -0.435 119.759 120.200 -0.010 0.000 2.385 766 E HA 0.006 4.356 4.350 0.001 0.000 0.194 766 E C 1.543 178.138 176.600 -0.009 0.000 1.013 766 E CA 0.389 56.782 56.400 -0.011 0.000 0.866 766 E CB 0.174 29.867 29.700 -0.013 0.000 0.832 766 E HN 0.432 nan 8.360 nan 0.000 0.500 767 A N 1.160 123.975 122.820 -0.009 0.000 1.930 767 A HA 0.218 4.538 4.320 0.001 0.000 0.215 767 A C 1.465 179.045 177.584 -0.007 0.000 1.176 767 A CA 1.027 53.060 52.037 -0.008 0.000 0.632 767 A CB -0.199 18.797 19.000 -0.008 0.000 0.819 767 A HN 0.305 nan 8.150 nan 0.000 0.445 768 A N -1.536 121.280 122.820 -0.006 0.000 2.450 768 A HA 0.719 5.040 4.320 0.001 0.000 0.281 768 A C 1.080 178.662 177.584 -0.004 0.000 1.372 768 A CA 0.121 52.155 52.037 -0.005 0.000 0.886 768 A CB -0.623 18.374 19.000 -0.004 0.000 1.462 768 A HN 2.264 nan 8.150 nan 0.000 0.514 769 A N 0.000 122.819 122.820 -0.002 0.000 2.254 769 A HA 0.000 4.320 4.320 0.001 0.000 0.244 769 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 769 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 769 A HN 0.000 nan 8.150 nan 0.000 0.486