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 1rm6_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 0.000 0.000 0.244 9 G C 0.000 174.828 174.900 -0.120 0.000 0.946 9 G CA 0.000 45.034 45.100 -0.110 0.000 0.502 10 T N -3.238 111.222 114.554 -0.156 0.000 3.028 10 T HA 0.293 4.643 4.350 0.000 0.000 0.250 10 T C 0.898 175.487 174.700 -0.185 0.000 0.979 10 T CA 0.530 62.540 62.100 -0.150 0.000 1.004 10 T CB 0.093 68.878 68.868 -0.138 0.000 1.120 10 T HN 0.642 nan 8.240 nan 0.000 0.482 11 V N 2.616 122.359 119.914 -0.286 0.000 2.572 11 V HA 0.497 4.617 4.120 0.000 0.000 0.291 11 V C 1.701 177.661 176.094 -0.224 0.000 1.039 11 V CA 1.174 63.276 62.300 -0.331 0.000 1.055 11 V CB 0.142 31.560 31.823 -0.675 0.000 0.969 11 V HN 0.988 nan 8.190 nan 0.000 0.482 12 G N 3.799 112.506 108.800 -0.154 0.000 2.176 12 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 12 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 12 G C 0.042 174.897 174.900 -0.076 0.000 0.979 12 G CA 0.036 45.077 45.100 -0.099 0.000 0.641 12 G HN 0.752 nan 8.290 nan 0.000 0.530 13 V N 1.613 121.477 119.914 -0.084 0.000 2.509 13 V HA 0.420 4.540 4.120 0.000 0.000 0.284 13 V C 1.158 177.221 176.094 -0.051 0.000 1.047 13 V CA -0.731 61.530 62.300 -0.064 0.000 0.952 13 V CB 1.366 33.146 31.823 -0.072 0.000 0.988 13 V HN 0.376 nan 8.190 nan 0.000 0.469 14 R N 2.878 123.356 120.500 -0.037 0.000 2.404 14 R HA 0.344 4.684 4.340 0.000 0.000 0.315 14 R C -0.385 175.897 176.300 -0.030 0.000 1.032 14 R CA 0.148 56.231 56.100 -0.028 0.000 0.992 14 R CB 0.137 30.425 30.300 -0.020 0.000 0.959 14 R HN 0.712 nan 8.270 nan 0.000 0.428 15 T N 5.495 120.031 114.554 -0.029 0.000 2.890 15 T HA 0.281 4.631 4.350 0.000 0.000 0.295 15 T C -2.407 172.281 174.700 -0.021 0.000 0.993 15 T CA -1.662 60.420 62.100 -0.029 0.000 0.979 15 T CB 2.033 70.878 68.868 -0.039 0.000 0.967 15 T HN 0.271 nan 8.240 nan 0.000 0.441 16 P HA 0.174 nan 4.420 nan 0.000 0.269 16 P C -0.128 177.168 177.300 -0.007 0.000 1.209 16 P CA -0.475 62.620 63.100 -0.010 0.000 0.776 16 P CB 0.492 32.187 31.700 -0.009 0.000 0.876 17 L N 2.106 123.330 121.223 0.002 0.000 2.456 17 L HA -0.005 4.335 4.340 0.000 0.000 0.272 17 L C 1.934 178.811 176.870 0.011 0.000 1.189 17 L CA -0.291 54.553 54.840 0.007 0.000 0.846 17 L CB 0.434 42.506 42.059 0.021 0.000 1.111 17 L HN 0.300 nan 8.230 nan 0.000 0.475 18 V N -1.356 118.560 119.914 0.003 0.000 2.867 18 V HA -0.165 3.955 4.120 0.000 0.000 0.260 18 V C 1.144 177.256 176.094 0.029 0.000 1.099 18 V CA 1.610 63.912 62.300 0.003 0.000 1.122 18 V CB -0.787 31.027 31.823 -0.015 0.000 0.708 18 V HN 0.990 nan 8.190 nan 0.000 0.490 19 D N 0.090 120.527 120.400 0.062 0.000 2.402 19 D HA 0.201 4.841 4.640 0.000 0.000 0.216 19 D C 1.835 178.214 176.300 0.131 0.000 1.128 19 D CA 0.577 54.664 54.000 0.144 0.000 0.833 19 D CB -0.005 40.939 40.800 0.241 0.000 0.971 19 D HN 0.401 nan 8.370 nan 0.000 0.503 20 G N 0.718 109.558 108.800 0.068 0.000 2.443 20 G HA2 -0.182 3.778 3.960 0.000 0.000 0.219 20 G HA3 -0.182 3.778 3.960 0.000 0.000 0.219 20 G C 1.549 176.455 174.900 0.011 0.000 1.131 20 G CA 0.686 45.810 45.100 0.041 0.000 0.775 20 G HN 0.263 nan 8.290 nan 0.000 0.547 21 V N 0.810 120.730 119.914 0.009 0.000 2.332 21 V HA -0.167 3.953 4.120 0.000 0.000 0.248 21 V C 2.741 178.814 176.094 -0.035 0.000 1.055 21 V CA 2.241 64.536 62.300 -0.009 0.000 1.038 21 V CB -0.419 31.402 31.823 -0.003 0.000 0.651 21 V HN 0.314 nan 8.190 nan 0.000 0.450 22 E N 0.077 120.246 120.200 -0.051 0.000 2.204 22 E HA -0.144 4.206 4.350 0.000 0.000 0.194 22 E C 2.173 178.646 176.600 -0.213 0.000 0.989 22 E CA 0.894 57.206 56.400 -0.146 0.000 0.824 22 E CB -0.247 29.328 29.700 -0.210 0.000 0.756 22 E HN 0.587 nan 8.360 nan 0.000 0.477 23 K N 0.044 120.348 120.400 -0.160 0.000 2.062 23 K HA -0.056 4.264 4.320 0.000 0.000 0.205 23 K C 2.038 178.607 176.600 -0.052 0.000 1.051 23 K CA 1.418 57.641 56.287 -0.106 0.000 0.941 23 K CB -0.106 32.384 32.500 -0.016 0.000 0.719 23 K HN 0.183 nan 8.250 nan 0.000 0.440 24 V N -0.619 119.272 119.914 -0.040 0.000 3.217 24 V HA -0.050 4.070 4.120 0.000 0.000 0.264 24 V C 1.733 177.808 176.094 -0.032 0.000 1.135 24 V CA 1.597 63.880 62.300 -0.028 0.000 1.142 24 V CB -0.712 31.099 31.823 -0.020 0.000 0.754 24 V HN 0.330 nan 8.190 nan 0.000 0.484 25 T N -3.768 110.760 114.554 -0.043 0.000 3.040 25 T HA 0.444 4.794 4.350 0.000 0.000 0.250 25 T C 1.694 176.368 174.700 -0.042 0.000 1.058 25 T CA 0.741 62.818 62.100 -0.039 0.000 0.988 25 T CB 0.422 69.266 68.868 -0.039 0.000 0.993 25 T HN 1.462 nan 8.240 nan 0.000 0.519 26 G N 1.900 110.668 108.800 -0.053 0.000 2.148 26 G HA2 -0.306 3.654 3.960 0.000 0.000 0.254 26 G HA3 -0.306 3.654 3.960 0.000 0.000 0.254 26 G C 0.795 175.657 174.900 -0.062 0.000 0.981 26 G CA 0.528 45.603 45.100 -0.042 0.000 0.670 26 G HN 0.550 nan 8.290 nan 0.000 0.528 27 K N 0.221 120.562 120.400 -0.097 0.000 2.228 27 K HA 0.393 4.713 4.320 0.000 0.000 0.202 27 K C 1.734 178.219 176.600 -0.192 0.000 1.051 27 K CA 0.625 56.849 56.287 -0.105 0.000 0.960 27 K CB 0.086 32.536 32.500 -0.084 0.000 0.743 27 K HN 0.660 nan 8.250 nan 0.000 0.458 28 A N 2.554 125.141 122.820 -0.388 0.000 2.524 28 A HA 0.018 4.338 4.320 0.000 0.000 0.250 28 A C -0.266 177.036 177.584 -0.470 0.000 1.078 28 A CA 0.240 51.751 52.037 -0.875 0.000 0.761 28 A CB 0.181 18.172 19.000 -1.683 0.000 1.012 28 A HN -0.014 nan 8.150 nan 0.000 0.500 29 K N 3.111 123.363 120.400 -0.247 0.000 2.263 29 K HA 0.333 4.653 4.320 0.000 0.000 0.272 29 K C -1.035 175.541 176.600 -0.040 0.000 1.033 29 K CA 0.034 56.297 56.287 -0.040 0.000 0.884 29 K CB 0.795 33.313 32.500 0.030 0.000 1.107 29 K HN 0.650 nan 8.250 nan 0.000 0.460 30 Y N 0.288 120.630 120.300 0.071 0.000 2.340 30 Y HA 0.028 4.578 4.550 0.000 0.000 0.327 30 Y C 2.279 178.215 175.900 0.060 0.000 1.321 30 Y CA -0.127 58.030 58.100 0.094 0.000 1.433 30 Y CB 0.379 38.871 38.460 0.054 0.000 1.373 30 Y HN 0.540 nan 8.280 nan 0.000 0.538 31 T N 0.421 115.095 114.554 0.200 0.000 2.665 31 T HA -0.271 4.079 4.350 0.000 0.000 0.268 31 T C 1.831 176.588 174.700 0.094 0.000 1.035 31 T CA 1.956 64.124 62.100 0.114 0.000 1.151 31 T CB -0.539 68.386 68.868 0.094 0.000 0.862 31 T HN 0.723 nan 8.240 nan 0.000 0.438 32 A N 1.158 124.036 122.820 0.097 0.000 2.206 32 A HA -0.015 4.305 4.320 0.000 0.000 0.211 32 A C 1.665 179.287 177.584 0.064 0.000 1.158 32 A CA 0.915 52.989 52.037 0.062 0.000 0.761 32 A CB -0.181 18.841 19.000 0.038 0.000 0.801 32 A HN 0.345 nan 8.150 nan 0.000 0.473 33 D N -0.343 120.112 120.400 0.092 0.000 2.354 33 D HA 0.138 4.778 4.640 0.000 0.000 0.209 33 D C 0.426 176.759 176.300 0.056 0.000 1.015 33 D CA 0.115 54.161 54.000 0.076 0.000 0.867 33 D CB 0.062 40.926 40.800 0.106 0.000 0.933 33 D HN 0.438 nan 8.370 nan 0.000 0.520 34 I N 1.793 122.396 120.570 0.056 0.000 2.598 34 I HA 0.064 4.234 4.170 0.000 0.000 0.284 34 I C 0.766 176.902 176.117 0.032 0.000 1.140 34 I CA -0.440 60.885 61.300 0.041 0.000 1.420 34 I CB 0.727 38.751 38.000 0.040 0.000 1.387 34 I HN -0.134 nan 8.210 nan 0.000 0.553 35 A N 5.930 128.765 122.820 0.025 0.000 2.440 35 A HA 0.658 4.978 4.320 0.000 0.000 0.251 35 A C 0.280 177.875 177.584 0.019 0.000 1.089 35 A CA -0.137 51.912 52.037 0.020 0.000 0.779 35 A CB 0.315 19.325 19.000 0.016 0.000 1.022 35 A HN 0.929 nan 8.150 nan 0.000 0.492 36 A N 4.264 127.095 122.820 0.019 0.000 2.771 36 A HA 0.597 4.917 4.320 0.000 0.000 0.301 36 A C -2.031 175.564 177.584 0.017 0.000 1.194 36 A CA -0.724 51.324 52.037 0.018 0.000 0.837 36 A CB 0.419 19.431 19.000 0.022 0.000 1.438 36 A HN 0.482 nan 8.150 nan 0.000 0.436 37 P HA -0.183 nan 4.420 nan 0.000 0.216 37 P C 0.809 178.118 177.300 0.015 0.000 1.153 37 P CA 1.882 64.990 63.100 0.014 0.000 0.858 37 P CB 0.159 31.866 31.700 0.011 0.000 0.789 38 D N -0.807 119.602 120.400 0.016 0.000 2.363 38 D HA 0.059 4.700 4.640 0.000 0.000 0.226 38 D C 0.537 176.851 176.300 0.022 0.000 1.020 38 D CA 0.014 54.024 54.000 0.018 0.000 0.892 38 D CB -0.992 39.819 40.800 0.018 0.000 0.900 38 D HN 0.093 nan 8.370 nan 0.000 0.531 39 A N 0.759 123.593 122.820 0.023 0.000 2.488 39 A HA 0.377 4.697 4.320 0.000 0.000 0.249 39 A C 0.328 177.927 177.584 0.026 0.000 1.083 39 A CA -0.382 51.671 52.037 0.027 0.000 0.768 39 A CB 0.025 19.041 19.000 0.027 0.000 1.017 39 A HN 0.289 nan 8.150 nan 0.000 0.496 40 L N 2.256 123.496 121.223 0.029 0.000 2.439 40 L HA 0.356 4.696 4.340 0.000 0.000 0.259 40 L C -0.023 176.863 176.870 0.027 0.000 1.129 40 L CA -0.792 54.064 54.840 0.027 0.000 0.803 40 L CB 1.066 43.142 42.059 0.028 0.000 1.161 40 L HN 0.410 nan 8.230 nan 0.000 0.462 41 V N 0.885 120.814 119.914 0.025 0.000 2.432 41 V HA 0.408 4.528 4.120 0.000 0.000 0.275 41 V C 0.647 176.759 176.094 0.029 0.000 1.043 41 V CA -0.378 61.938 62.300 0.025 0.000 0.925 41 V CB 1.060 32.897 31.823 0.022 0.000 0.985 41 V HN 0.847 nan 8.190 nan 0.000 0.466 42 G N 5.133 113.954 108.800 0.035 0.000 2.389 42 G HA2 0.718 4.678 3.960 0.000 0.000 0.317 42 G HA3 0.718 4.678 3.960 0.000 0.000 0.317 42 G C -0.639 174.288 174.900 0.045 0.000 1.137 42 G CA -0.578 44.547 45.100 0.042 0.000 0.870 42 G HN 0.469 nan 8.290 nan 0.000 0.496 43 R N 0.708 121.237 120.500 0.050 0.000 2.626 43 R HA 0.395 4.735 4.340 0.000 0.000 0.274 43 R C -1.072 175.269 176.300 0.068 0.000 1.031 43 R CA -0.742 55.390 56.100 0.054 0.000 0.898 43 R CB 2.161 32.486 30.300 0.042 0.000 1.222 43 R HN 0.502 nan 8.270 nan 0.000 0.455 44 I N 2.587 123.209 120.570 0.086 0.000 2.412 44 I HA 0.295 4.465 4.170 0.000 0.000 0.296 44 I C -0.082 176.083 176.117 0.080 0.000 0.987 44 I CA -1.148 60.213 61.300 0.101 0.000 1.180 44 I CB 1.726 39.821 38.000 0.159 0.000 1.340 44 I HN 0.244 nan 8.210 nan 0.000 0.455 45 L N 7.470 128.733 121.223 0.067 0.000 2.260 45 L HA 0.411 4.751 4.340 0.000 0.000 0.289 45 L C -0.268 176.635 176.870 0.056 0.000 1.057 45 L CA 0.227 55.101 54.840 0.055 0.000 0.811 45 L CB 0.123 42.211 42.059 0.049 0.000 1.184 45 L HN 0.496 nan 8.230 nan 0.000 0.429 46 R N 3.050 123.577 120.500 0.044 0.000 2.532 46 R HA 0.404 4.744 4.340 0.000 0.000 0.295 46 R C -0.192 176.102 176.300 -0.010 0.000 0.968 46 R CA -0.755 55.355 56.100 0.017 0.000 0.916 46 R CB 1.697 32.015 30.300 0.030 0.000 1.124 46 R HN 0.715 nan 8.270 nan 0.000 0.463 47 S N 3.067 118.740 115.700 -0.044 0.000 2.544 47 S HA 0.049 4.519 4.470 0.000 0.000 0.290 47 S C -1.361 173.118 174.600 -0.202 0.000 1.276 47 S CA -1.077 57.072 58.200 -0.085 0.000 1.075 47 S CB 0.522 63.667 63.200 -0.093 0.000 0.849 47 S HN 0.488 nan 8.310 nan 0.000 0.494 48 P HA 0.120 nan 4.420 nan 0.000 0.255 48 P C -0.467 176.494 177.300 -0.565 0.000 1.248 48 P CA 0.312 63.148 63.100 -0.441 0.000 0.807 48 P CB 0.071 31.468 31.700 -0.505 0.000 1.150 49 H N -0.429 118.477 119.070 -0.273 0.000 2.492 49 H HA 0.444 5.000 4.556 0.000 0.000 0.345 49 H C 1.021 176.267 175.328 -0.137 0.000 1.136 49 H CA -0.553 55.353 56.048 -0.235 0.000 1.202 49 H CB 2.008 31.549 29.762 -0.367 0.000 1.524 49 H HN -0.112 nan 8.280 nan 0.000 0.506 50 A N 1.675 124.525 122.820 0.050 0.000 2.067 50 A HA -0.046 4.274 4.320 0.000 0.000 0.217 50 A C 0.520 178.146 177.584 0.070 0.000 1.156 50 A CA 0.997 53.056 52.037 0.037 0.000 0.683 50 A CB -0.153 18.854 19.000 0.011 0.000 0.808 50 A HN 0.810 nan 8.150 nan 0.000 0.455 51 H N -2.035 116.999 119.070 -0.060 0.000 3.128 51 H HA 0.529 5.085 4.556 0.000 0.000 0.336 51 H C -1.222 174.055 175.328 -0.086 0.000 1.026 51 H CA -0.236 55.762 56.048 -0.083 0.000 1.376 51 H CB 1.211 30.888 29.762 -0.143 0.000 1.882 51 H HN 0.393 nan 8.280 nan 0.000 0.479 52 A N 4.627 127.466 122.820 0.031 0.000 2.599 52 A HA 0.453 4.773 4.320 0.000 0.000 0.294 52 A C -1.333 176.269 177.584 0.031 0.000 1.055 52 A CA -0.895 51.108 52.037 -0.056 0.000 0.683 52 A CB 1.676 20.638 19.000 -0.062 0.000 1.278 52 A HN 0.699 nan 8.150 nan 0.000 0.412 53 R N 0.475 120.976 120.500 0.001 0.000 2.404 53 R HA 0.568 4.908 4.340 0.000 0.000 0.291 53 R C -0.849 175.493 176.300 0.070 0.000 1.025 53 R CA -0.369 55.741 56.100 0.017 0.000 0.991 53 R CB 1.088 31.368 30.300 -0.032 0.000 1.053 53 R HN 0.605 nan 8.270 nan 0.000 0.479 54 I N 4.216 124.797 120.570 0.019 0.000 2.304 54 I HA 0.042 4.212 4.170 0.000 0.000 0.291 54 I C 1.144 177.203 176.117 -0.096 0.000 1.018 54 I CA -0.057 61.191 61.300 -0.086 0.000 1.260 54 I CB 1.057 38.995 38.000 -0.102 0.000 1.390 54 I HN 0.531 nan 8.210 nan 0.000 0.475 55 L N 6.161 127.311 121.223 -0.120 0.000 2.408 55 L HA 0.469 4.809 4.340 0.000 0.000 0.215 55 L C 0.763 177.577 176.870 -0.094 0.000 1.081 55 L CA 0.155 54.944 54.840 -0.086 0.000 0.840 55 L CB -0.040 41.980 42.059 -0.064 0.000 1.002 55 L HN 0.714 nan 8.230 nan 0.000 0.468 56 A N 0.129 122.871 122.820 -0.130 0.000 2.597 56 A HA 0.734 5.054 4.320 0.000 0.000 0.292 56 A C -1.510 175.990 177.584 -0.139 0.000 1.057 56 A CA -0.394 51.577 52.037 -0.110 0.000 0.674 56 A CB 1.320 20.272 19.000 -0.080 0.000 1.278 56 A HN -0.009 nan 8.150 nan 0.000 0.416 57 I N 1.013 121.520 120.570 -0.105 0.000 2.656 57 I HA 0.455 4.625 4.170 0.000 0.000 0.292 57 I C -1.643 174.435 176.117 -0.065 0.000 1.144 57 I CA -0.477 60.762 61.300 -0.101 0.000 1.038 57 I CB 2.540 40.482 38.000 -0.097 0.000 1.244 57 I HN 0.684 nan 8.210 nan 0.000 0.420 58 D N 3.140 123.508 120.400 -0.054 0.000 2.542 58 D HA 0.282 4.922 4.640 0.000 0.000 0.252 58 D C 0.345 176.629 176.300 -0.026 0.000 1.222 58 D CA -0.303 53.676 54.000 -0.035 0.000 0.895 58 D CB 1.663 42.445 40.800 -0.030 0.000 1.207 58 D HN 0.636 nan 8.370 nan 0.000 0.558 59 T N -0.370 114.171 114.554 -0.022 0.000 3.092 59 T HA 0.054 4.404 4.350 0.000 0.000 0.258 59 T C 1.697 176.391 174.700 -0.009 0.000 1.031 59 T CA 0.503 62.595 62.100 -0.014 0.000 0.925 59 T CB -0.072 68.788 68.868 -0.013 0.000 1.036 59 T HN 0.219 nan 8.240 nan 0.000 0.544 60 S N 2.471 118.165 115.700 -0.011 0.000 2.365 60 S HA -0.127 4.343 4.470 0.000 0.000 0.225 60 S C 2.377 176.974 174.600 -0.004 0.000 1.039 60 S CA 1.054 59.249 58.200 -0.007 0.000 1.033 60 S CB -1.046 62.149 63.200 -0.008 0.000 0.887 60 S HN 0.706 nan 8.310 nan 0.000 0.447 61 A N 1.822 124.640 122.820 -0.003 0.000 1.968 61 A HA 0.436 4.756 4.320 0.000 0.000 0.217 61 A C 2.517 180.102 177.584 0.002 0.000 1.169 61 A CA 1.538 53.575 52.037 -0.000 0.000 0.638 61 A CB -1.342 17.658 19.000 0.000 0.000 0.812 61 A HN 0.911 nan 8.150 nan 0.000 0.446 62 A N -0.062 122.759 122.820 0.002 0.000 1.898 62 A HA -0.133 4.187 4.320 0.000 0.000 0.216 62 A C 1.887 179.474 177.584 0.004 0.000 1.181 62 A CA 1.523 53.562 52.037 0.004 0.000 0.620 62 A CB -0.462 18.541 19.000 0.005 0.000 0.819 62 A HN 0.604 nan 8.150 nan 0.000 0.442 63 E N -0.326 119.874 120.200 0.001 0.000 2.150 63 E HA -0.067 4.283 4.350 0.000 0.000 0.193 63 E C 2.062 178.664 176.600 0.002 0.000 0.985 63 E CA 0.801 57.202 56.400 0.001 0.000 0.814 63 E CB -0.202 29.497 29.700 -0.002 0.000 0.752 63 E HN 0.621 nan 8.360 nan 0.000 0.466 64 A N 0.893 123.714 122.820 0.002 0.000 2.119 64 A HA -0.004 4.316 4.320 0.000 0.000 0.216 64 A C 1.039 178.626 177.584 0.004 0.000 1.152 64 A CA -0.060 51.978 52.037 0.002 0.000 0.708 64 A CB -0.123 18.878 19.000 0.001 0.000 0.805 64 A HN 0.157 nan 8.150 nan 0.000 0.460 65 L N 0.862 122.087 121.223 0.005 0.000 2.499 65 L HA 0.229 4.569 4.340 0.000 0.000 0.273 65 L C 0.275 177.149 176.870 0.007 0.000 1.195 65 L CA -0.085 54.759 54.840 0.006 0.000 0.882 65 L CB 0.157 42.220 42.059 0.007 0.000 1.133 65 L HN 0.305 nan 8.230 nan 0.000 0.483 66 E N 3.550 123.754 120.200 0.007 0.000 2.417 66 E HA 0.411 4.761 4.350 0.000 0.000 0.261 66 E C 0.943 177.548 176.600 0.009 0.000 1.000 66 E CA 1.224 57.629 56.400 0.007 0.000 0.919 66 E CB 0.252 29.956 29.700 0.007 0.000 0.955 66 E HN 0.788 nan 8.360 nan 0.000 0.455 67 G N 2.621 111.427 108.800 0.009 0.000 2.213 67 G HA2 -0.224 3.736 3.960 0.000 0.000 0.226 67 G HA3 -0.224 3.736 3.960 0.000 0.000 0.226 67 G C -0.121 174.786 174.900 0.012 0.000 0.992 67 G CA -0.031 45.076 45.100 0.011 0.000 0.632 67 G HN 0.528 nan 8.290 nan 0.000 0.511 68 V N 3.036 122.956 119.914 0.011 0.000 2.406 68 V HA 0.409 4.529 4.120 0.000 0.000 0.272 68 V C 1.461 177.562 176.094 0.011 0.000 1.043 68 V CA -0.439 61.868 62.300 0.011 0.000 0.915 68 V CB 1.313 33.142 31.823 0.010 0.000 0.988 68 V HN 0.222 nan 8.190 nan 0.000 0.466 69 I N 3.325 123.902 120.570 0.012 0.000 3.081 69 I HA 0.373 4.544 4.170 0.000 0.000 0.274 69 I C 0.944 177.066 176.117 0.008 0.000 1.178 69 I CA 0.702 62.010 61.300 0.012 0.000 1.460 69 I CB -0.302 37.708 38.000 0.017 0.000 1.137 69 I HN 0.653 nan 8.210 nan 0.000 0.443 70 A N 0.580 123.404 122.820 0.007 0.000 2.547 70 A HA 0.723 5.043 4.320 0.000 0.000 0.297 70 A C -1.265 176.321 177.584 0.003 0.000 1.056 70 A CA -0.365 51.673 52.037 0.001 0.000 0.688 70 A CB 1.942 20.939 19.000 -0.004 0.000 1.282 70 A HN -0.162 nan 8.150 nan 0.000 0.400 71 V N 0.516 120.429 119.914 -0.000 0.000 2.686 71 V HA 0.555 4.675 4.120 0.000 0.000 0.306 71 V C -0.537 175.555 176.094 -0.003 0.000 1.065 71 V CA -0.543 61.758 62.300 0.002 0.000 0.894 71 V CB 1.480 33.304 31.823 0.001 0.000 1.004 71 V HN 1.143 nan 8.190 nan 0.000 0.424 72 C N 2.854 122.156 119.300 0.002 0.000 2.707 72 C HA 0.977 5.437 4.460 0.000 0.000 0.313 72 C C 0.509 175.501 174.990 0.002 0.000 1.209 72 C CA -0.417 58.600 59.018 -0.001 0.000 1.635 72 C CB 1.992 29.733 27.740 0.002 0.000 2.206 72 C HN 1.053 nan 8.230 nan 0.000 0.485 73 T N -1.813 112.738 114.554 -0.005 0.000 2.804 73 T HA 0.572 4.922 4.350 0.000 0.000 0.290 73 T C 1.052 175.745 174.700 -0.012 0.000 1.099 73 T CA 0.279 62.373 62.100 -0.010 0.000 1.011 73 T CB 1.113 69.965 68.868 -0.027 0.000 1.291 73 T HN 0.871 nan 8.240 nan 0.000 0.523 74 G N -0.159 108.626 108.800 -0.025 0.000 2.501 74 G HA2 0.061 4.021 3.960 0.000 0.000 0.220 74 G HA3 0.061 4.021 3.960 0.000 0.000 0.220 74 G C 1.580 176.437 174.900 -0.073 0.000 1.114 74 G CA 0.839 45.910 45.100 -0.049 0.000 0.757 74 G HN 1.196 nan 8.290 nan 0.000 0.559 75 A N 0.637 123.421 122.820 -0.060 0.000 2.070 75 A HA 0.012 4.332 4.320 0.000 0.000 0.220 75 A C 2.010 179.572 177.584 -0.037 0.000 1.159 75 A CA 1.607 53.611 52.037 -0.056 0.000 0.656 75 A CB -0.187 18.786 19.000 -0.046 0.000 0.800 75 A HN 0.473 nan 8.150 nan 0.000 0.453 76 E N -0.551 119.636 120.200 -0.023 0.000 2.474 76 E HA 0.029 4.379 4.350 0.000 0.000 0.195 76 E C -0.011 176.594 176.600 0.009 0.000 1.039 76 E CA 0.613 57.007 56.400 -0.010 0.000 0.881 76 E CB 0.244 29.936 29.700 -0.013 0.000 0.970 76 E HN 0.614 nan 8.360 nan 0.000 0.486 77 T N -1.482 113.085 114.554 0.021 0.000 3.410 77 T HA 0.220 4.570 4.350 0.000 0.000 0.328 77 T C -2.213 172.556 174.700 0.115 0.000 1.567 77 T CA -1.684 60.465 62.100 0.082 0.000 1.626 77 T CB 1.081 70.023 68.868 0.124 0.000 0.939 77 T HN -0.154 nan 8.240 nan 0.000 0.656 78 P HA 0.164 nan 4.420 nan 0.000 0.249 78 P C -0.027 177.444 177.300 0.285 0.000 1.229 78 P CA -0.029 63.137 63.100 0.110 0.000 0.788 78 P CB 0.294 32.023 31.700 0.048 0.000 1.072 79 V N 3.974 124.052 119.914 0.273 0.000 2.384 79 V HA 0.318 4.438 4.120 0.000 0.000 0.287 79 V C -1.979 174.213 176.094 0.164 0.000 1.020 79 V CA -2.096 60.324 62.300 0.201 0.000 0.850 79 V CB 1.880 33.768 31.823 0.109 0.000 0.987 79 V HN 0.040 nan 8.190 nan 0.000 0.436 80 P HA 0.495 nan 4.420 nan 0.000 0.278 80 P C -1.157 176.056 177.300 -0.145 0.000 1.266 80 P CA -0.294 62.539 63.100 -0.445 0.000 0.807 80 P CB 1.390 32.547 31.700 -0.904 0.000 1.094 81 F N -2.477 117.331 119.950 -0.237 0.000 2.629 81 F HA 0.911 5.439 4.527 0.000 0.000 0.316 81 F C -0.599 175.098 175.800 -0.172 0.000 1.081 81 F CA -0.979 56.918 58.000 -0.172 0.000 0.954 81 F CB 1.560 40.480 39.000 -0.135 0.000 1.337 81 F HN 0.585 nan 8.300 nan 0.000 0.474 82 G N 0.187 108.966 108.800 -0.035 0.000 2.702 82 G HA2 0.382 4.342 3.960 0.000 0.000 0.296 82 G HA3 0.382 4.342 3.960 0.000 0.000 0.296 82 G C -0.993 173.827 174.900 -0.134 0.000 1.463 82 G CA -0.192 44.829 45.100 -0.131 0.000 0.890 82 G HN 1.081 nan 8.290 nan 0.000 0.534 83 V N 1.084 120.854 119.914 -0.239 0.000 2.626 83 V HA 0.196 4.317 4.120 0.000 0.000 0.252 83 V C 0.913 176.705 176.094 -0.503 0.000 1.067 83 V CA 1.109 63.144 62.300 -0.442 0.000 1.081 83 V CB -0.784 30.614 31.823 -0.708 0.000 0.686 83 V HN 0.448 nan 8.190 nan 0.000 0.468 84 L N 0.889 121.878 121.223 -0.390 0.000 2.295 84 L HA 0.346 4.686 4.340 0.000 0.000 0.285 84 L C -1.455 175.238 176.870 -0.295 0.000 1.035 84 L CA -1.624 53.003 54.840 -0.354 0.000 0.806 84 L CB 1.056 42.961 42.059 -0.257 0.000 1.214 84 L HN 0.006 nan 8.230 nan 0.000 0.426 85 P HA -0.157 nan 4.420 nan 0.000 0.219 85 P C 1.449 178.623 177.300 -0.210 0.000 1.146 85 P CA 1.227 64.174 63.100 -0.256 0.000 0.808 85 P CB 0.134 31.644 31.700 -0.316 0.000 0.779 86 I N -5.236 115.204 120.570 -0.218 0.000 3.428 86 I HA 0.293 4.463 4.170 0.000 0.000 0.286 86 I C 0.715 176.755 176.117 -0.129 0.000 1.287 86 I CA 0.286 61.487 61.300 -0.163 0.000 1.396 86 I CB -0.190 37.716 38.000 -0.156 0.000 1.062 86 I HN -0.218 nan 8.210 nan 0.000 0.471 87 A N 1.738 124.473 122.820 -0.143 0.000 3.370 87 A HA 0.448 4.768 4.320 0.000 0.000 0.295 87 A C -0.477 177.018 177.584 -0.150 0.000 1.030 87 A CA -0.460 51.503 52.037 -0.124 0.000 0.883 87 A CB -0.075 18.864 19.000 -0.102 0.000 1.191 87 A HN 0.366 nan 8.150 nan 0.000 0.507 88 E N 1.771 121.874 120.200 -0.161 0.000 2.070 88 E HA 0.182 4.532 4.350 0.000 0.000 0.261 88 E C -0.300 176.143 176.600 -0.262 0.000 0.926 88 E CA -0.522 55.751 56.400 -0.213 0.000 0.760 88 E CB 0.672 30.268 29.700 -0.174 0.000 1.133 88 E HN 0.642 nan 8.360 nan 0.000 0.420 89 N N 2.314 120.844 118.700 -0.283 0.000 2.240 89 N HA -0.003 4.737 4.740 0.000 0.000 0.240 89 N C -0.380 175.005 175.510 -0.208 0.000 1.277 89 N CA -0.278 52.628 53.050 -0.239 0.000 0.873 89 N CB 0.559 38.939 38.487 -0.178 0.000 1.222 89 N HN 0.294 nan 8.380 nan 0.000 0.507 90 E N 0.423 120.264 120.200 -0.597 0.000 2.166 90 E HA 0.272 4.622 4.350 0.000 0.000 0.275 90 E C -1.206 174.837 176.600 -0.927 0.000 0.941 90 E CA -0.630 55.208 56.400 -0.936 0.000 0.784 90 E CB 1.005 29.920 29.700 -1.309 0.000 1.115 90 E HN 0.110 nan 8.360 nan 0.000 0.399 91 Y N 3.710 123.809 120.300 -0.335 0.000 2.352 91 Y HA 0.233 4.783 4.550 0.000 0.000 0.326 91 Y C -1.569 174.406 175.900 0.125 0.000 1.166 91 Y CA -2.062 56.007 58.100 -0.052 0.000 1.182 91 Y CB 1.137 39.600 38.460 0.005 0.000 1.216 91 Y HN 0.582 nan 8.280 nan 0.000 0.474 92 P HA -0.140 nan 4.420 nan 0.000 0.215 92 P C -0.587 176.852 177.300 0.232 0.000 1.157 92 P CA 1.646 64.971 63.100 0.374 0.000 0.874 92 P CB 0.355 32.186 31.700 0.217 0.000 0.790 93 L N -1.831 119.501 121.223 0.182 0.000 2.362 93 L HA 0.563 4.903 4.340 0.000 0.000 0.271 93 L C 0.088 177.013 176.870 0.091 0.000 1.002 93 L CA -1.624 53.280 54.840 0.107 0.000 0.818 93 L CB 1.786 43.886 42.059 0.067 0.000 1.298 93 L HN -0.185 nan 8.230 nan 0.000 0.420 94 A N 3.287 126.146 122.820 0.065 0.000 2.531 94 A HA 0.376 4.696 4.320 0.000 0.000 0.236 94 A C -0.100 177.466 177.584 -0.030 0.000 1.062 94 A CA 0.273 52.348 52.037 0.064 0.000 0.760 94 A CB 0.061 19.107 19.000 0.077 0.000 0.995 94 A HN 0.775 nan 8.150 nan 0.000 0.501 95 R N 1.705 122.151 120.500 -0.090 0.000 2.476 95 R HA 0.414 4.754 4.340 0.000 0.000 0.305 95 R C -0.526 175.718 176.300 -0.093 0.000 0.965 95 R CA -0.513 55.460 56.100 -0.211 0.000 0.867 95 R CB 1.391 31.344 30.300 -0.578 0.000 1.176 95 R HN 0.919 nan 8.270 nan 0.000 0.447 96 D N 0.604 120.964 120.400 -0.067 0.000 3.322 96 D HA -0.238 4.402 4.640 0.000 0.000 0.190 96 D C -0.118 176.187 176.300 0.010 0.000 1.485 96 D CA 2.121 56.103 54.000 -0.029 0.000 2.184 96 D CB -0.338 40.449 40.800 -0.022 0.000 1.315 96 D HN 0.657 nan 8.370 nan 0.000 0.435 97 K N -0.105 120.325 120.400 0.050 0.000 2.536 97 K HA 0.618 4.938 4.320 0.000 0.000 0.269 97 K C -0.456 176.225 176.600 0.136 0.000 0.965 97 K CA -0.964 55.374 56.287 0.084 0.000 0.860 97 K CB 2.968 35.505 32.500 0.061 0.000 1.423 97 K HN 0.059 nan 8.250 nan 0.000 0.438 98 V N -1.050 118.957 119.914 0.155 0.000 2.667 98 V HA 0.569 4.689 4.120 0.000 0.000 0.308 98 V C 0.118 176.291 176.094 0.131 0.000 1.048 98 V CA -0.908 61.475 62.300 0.138 0.000 0.928 98 V CB 1.402 33.292 31.823 0.112 0.000 1.004 98 V HN 0.935 nan 8.190 nan 0.000 0.444 99 R N 1.645 122.200 120.500 0.092 0.000 2.509 99 R HA 0.359 4.699 4.340 0.000 0.000 0.297 99 R C -0.821 175.535 176.300 0.093 0.000 0.951 99 R CA 0.003 56.097 56.100 -0.010 0.000 1.103 99 R CB 0.853 31.000 30.300 -0.255 0.000 1.283 99 R HN 0.906 nan 8.270 nan 0.000 0.534 100 Y N -2.521 117.801 120.300 0.035 0.000 2.609 100 Y HA 0.434 4.984 4.550 0.000 0.000 0.336 100 Y C -1.088 174.842 175.900 0.049 0.000 1.129 100 Y CA -1.797 56.314 58.100 0.018 0.000 1.040 100 Y CB 0.786 39.273 38.460 0.045 0.000 1.310 100 Y HN -0.297 nan 8.280 nan 0.000 0.460 101 R N 1.322 121.889 120.500 0.111 0.000 2.351 101 R HA 0.462 4.802 4.340 0.000 0.000 0.318 101 R C 0.752 177.098 176.300 0.076 0.000 1.055 101 R CA 1.307 57.418 56.100 0.019 0.000 0.968 101 R CB -0.243 30.091 30.300 0.057 0.000 0.974 101 R HN 1.383 nan 8.270 nan 0.000 0.439 102 G N 3.071 111.809 108.800 -0.104 0.000 2.296 102 G HA2 -0.224 3.736 3.960 0.000 0.000 0.188 102 G HA3 -0.224 3.736 3.960 0.000 0.000 0.188 102 G C -0.280 174.428 174.900 -0.321 0.000 1.000 102 G CA -0.158 44.928 45.100 -0.024 0.000 0.672 102 G HN 0.648 nan 8.290 nan 0.000 0.483 103 D N 2.611 122.464 120.400 -0.912 0.000 2.472 103 D HA 0.377 5.017 4.640 0.000 0.000 0.248 103 D C -2.064 174.075 176.300 -0.268 0.000 1.174 103 D CA -0.870 52.623 54.000 -0.844 0.000 0.883 103 D CB 1.066 41.459 40.800 -0.678 0.000 1.149 103 D HN 0.136 nan 8.370 nan 0.000 0.488 104 P HA -0.013 nan 4.420 nan 0.000 0.267 104 P C 0.329 177.636 177.300 0.012 0.000 1.205 104 P CA -0.150 62.935 63.100 -0.026 0.000 0.765 104 P CB 1.050 32.764 31.700 0.024 0.000 0.828 105 V N 2.144 122.081 119.914 0.039 0.000 3.151 105 V HA 0.430 4.550 4.120 0.000 0.000 0.241 105 V C 0.695 176.807 176.094 0.031 0.000 1.173 105 V CA 1.310 63.637 62.300 0.044 0.000 1.154 105 V CB 0.110 31.980 31.823 0.078 0.000 0.898 105 V HN 0.672 nan 8.190 nan 0.000 0.473 106 A N -0.647 122.197 122.820 0.040 0.000 2.588 106 A HA 0.968 5.288 4.320 0.000 0.000 0.290 106 A C -1.295 176.318 177.584 0.048 0.000 1.136 106 A CA 0.035 52.091 52.037 0.032 0.000 0.681 106 A CB 1.562 20.572 19.000 0.016 0.000 1.282 106 A HN 0.819 nan 8.150 nan 0.000 0.421 107 A N -0.880 121.965 122.820 0.041 0.000 2.606 107 A HA 0.852 5.172 4.320 0.000 0.000 0.293 107 A C -0.815 176.789 177.584 0.034 0.000 1.082 107 A CA 0.045 52.112 52.037 0.049 0.000 0.685 107 A CB 1.118 20.156 19.000 0.064 0.000 1.284 107 A HN 2.382 nan 8.150 nan 0.000 0.408 108 V N -2.269 117.667 119.914 0.035 0.000 3.007 108 V HA 0.997 5.117 4.120 0.000 0.000 0.311 108 V C -0.244 175.867 176.094 0.028 0.000 1.120 108 V CA -0.359 61.957 62.300 0.026 0.000 0.980 108 V CB 1.468 33.305 31.823 0.023 0.000 1.033 108 V HN 2.297 nan 8.190 nan 0.000 0.429 109 A N 2.207 125.040 122.820 0.022 0.000 2.335 109 A HA 1.046 5.366 4.320 0.000 0.000 0.304 109 A C -0.106 177.490 177.584 0.020 0.000 1.118 109 A CA -0.007 52.044 52.037 0.023 0.000 0.757 109 A CB 1.122 20.135 19.000 0.021 0.000 1.188 109 A HN 2.403 nan 8.150 nan 0.000 0.460 110 A N 1.605 124.437 122.820 0.021 0.000 2.532 110 A HA 0.705 5.025 4.320 0.000 0.000 0.290 110 A C 0.664 178.259 177.584 0.018 0.000 1.143 110 A CA -0.271 51.777 52.037 0.018 0.000 0.728 110 A CB 0.500 19.511 19.000 0.017 0.000 1.317 110 A HN 1.368 nan 8.150 nan 0.000 0.414 111 I N -0.558 120.021 120.570 0.016 0.000 2.493 111 I HA -0.052 4.118 4.170 0.000 0.000 0.254 111 I C 0.097 176.224 176.117 0.016 0.000 1.160 111 I CA 1.933 63.243 61.300 0.016 0.000 1.445 111 I CB -0.141 37.867 38.000 0.014 0.000 1.086 111 I HN 0.810 nan 8.210 nan 0.000 0.433 112 D N -2.368 118.041 120.400 0.015 0.000 2.643 112 D HA 0.123 4.763 4.640 0.000 0.000 0.283 112 D C 0.358 176.667 176.300 0.015 0.000 1.242 112 D CA -0.571 53.438 54.000 0.015 0.000 0.863 112 D CB 0.567 41.374 40.800 0.013 0.000 1.382 112 D HN -0.204 nan 8.370 nan 0.000 0.444 113 E N -0.474 119.734 120.200 0.014 0.000 2.077 113 E HA -0.080 4.270 4.350 0.000 0.000 0.193 113 E C 1.994 178.602 176.600 0.014 0.000 0.989 113 E CA 1.939 58.348 56.400 0.015 0.000 0.800 113 E CB -0.353 29.355 29.700 0.014 0.000 0.746 113 E HN 0.441 nan 8.360 nan 0.000 0.452 114 V N -1.342 118.579 119.914 0.013 0.000 2.343 114 V HA -0.237 3.883 4.120 0.000 0.000 0.247 114 V C 1.983 178.085 176.094 0.012 0.000 1.051 114 V CA 2.165 64.472 62.300 0.012 0.000 1.036 114 V CB -1.179 30.650 31.823 0.010 0.000 0.654 114 V HN 0.148 nan 8.190 nan 0.000 0.451 115 T N 1.003 115.564 114.554 0.013 0.000 2.777 115 T HA 0.049 4.399 4.350 0.000 0.000 0.266 115 T C 2.188 176.897 174.700 0.014 0.000 1.040 115 T CA 1.779 63.886 62.100 0.013 0.000 1.141 115 T CB -0.531 68.344 68.868 0.012 0.000 0.868 115 T HN 0.747 nan 8.240 nan 0.000 0.444 116 A N 1.437 124.267 122.820 0.016 0.000 1.933 116 A HA -0.109 4.211 4.320 0.000 0.000 0.218 116 A C 2.194 179.790 177.584 0.020 0.000 1.175 116 A CA 1.930 53.979 52.037 0.019 0.000 0.628 116 A CB -0.554 18.459 19.000 0.022 0.000 0.814 116 A HN 0.478 nan 8.150 nan 0.000 0.444 117 E N 0.212 120.423 120.200 0.018 0.000 2.077 117 E HA -0.175 4.175 4.350 0.000 0.000 0.193 117 E C 1.895 178.505 176.600 0.016 0.000 0.989 117 E CA 1.502 57.913 56.400 0.018 0.000 0.800 117 E CB -0.065 29.645 29.700 0.016 0.000 0.746 117 E HN 0.335 nan 8.360 nan 0.000 0.452 118 K N 0.294 120.702 120.400 0.014 0.000 2.057 118 K HA -0.037 4.283 4.320 0.000 0.000 0.207 118 K C 2.081 178.689 176.600 0.013 0.000 1.049 118 K CA 1.228 57.523 56.287 0.013 0.000 0.931 118 K CB -0.805 31.701 32.500 0.011 0.000 0.714 118 K HN 0.247 nan 8.250 nan 0.000 0.440 119 A N 1.497 124.325 122.820 0.014 0.000 1.902 119 A HA -0.115 4.205 4.320 0.000 0.000 0.217 119 A C 2.353 179.947 177.584 0.015 0.000 1.181 119 A CA 1.206 53.252 52.037 0.014 0.000 0.623 119 A CB -0.657 18.352 19.000 0.014 0.000 0.818 119 A HN 0.191 nan 8.150 nan 0.000 0.443 120 L N -0.862 120.372 121.223 0.019 0.000 2.079 120 L HA -0.220 4.120 4.340 0.000 0.000 0.210 120 L C 2.979 179.862 176.870 0.021 0.000 1.081 120 L CA 1.135 55.988 54.840 0.022 0.000 0.752 120 L CB -0.513 41.562 42.059 0.026 0.000 0.896 120 L HN 0.452 nan 8.230 nan 0.000 0.433 121 A N -0.504 122.327 122.820 0.018 0.000 2.119 121 A HA -0.039 4.282 4.320 0.000 0.000 0.217 121 A C 2.114 179.708 177.584 0.016 0.000 1.153 121 A CA 0.935 52.982 52.037 0.017 0.000 0.692 121 A CB -0.377 18.632 19.000 0.015 0.000 0.799 121 A HN 0.409 nan 8.150 nan 0.000 0.458 122 L N -0.468 120.763 121.223 0.013 0.000 2.529 122 L HA 0.224 4.564 4.340 0.000 0.000 0.223 122 L C 0.147 177.021 176.870 0.007 0.000 1.113 122 L CA -0.113 54.733 54.840 0.009 0.000 0.861 122 L CB -0.085 41.978 42.059 0.007 0.000 1.012 122 L HN 0.253 nan 8.230 nan 0.000 0.461 123 I N 1.145 121.720 120.570 0.009 0.000 2.471 123 I HA 0.008 4.178 4.170 0.000 0.000 0.286 123 I C 0.475 176.593 176.117 0.002 0.000 1.079 123 I CA 0.242 61.543 61.300 0.002 0.000 1.398 123 I CB 0.687 38.690 38.000 0.005 0.000 1.403 123 I HN 0.025 nan 8.210 nan 0.000 0.530 124 K N 6.578 126.971 120.400 -0.012 0.000 2.240 124 K HA 0.564 4.884 4.320 0.000 0.000 0.271 124 K C -1.429 175.138 176.600 -0.055 0.000 1.018 124 K CA -0.504 55.774 56.287 -0.015 0.000 0.874 124 K CB 1.294 33.785 32.500 -0.014 0.000 1.098 124 K HN 0.412 nan 8.250 nan 0.000 0.458 125 V N 3.835 123.705 119.914 -0.073 0.000 2.448 125 V HA 0.226 4.346 4.120 0.000 0.000 0.295 125 V C -0.920 175.009 176.094 -0.275 0.000 1.025 125 V CA -1.012 61.143 62.300 -0.242 0.000 0.859 125 V CB 1.691 33.284 31.823 -0.384 0.000 0.988 125 V HN 0.788 nan 8.190 nan 0.000 0.431 126 D N 3.635 123.863 120.400 -0.286 0.000 2.232 126 D HA 0.544 5.184 4.640 0.000 0.000 0.242 126 D C -0.835 175.318 176.300 -0.245 0.000 1.093 126 D CA 0.227 54.132 54.000 -0.157 0.000 0.845 126 D CB 1.232 41.977 40.800 -0.091 0.000 1.124 126 D HN 0.435 nan 8.370 nan 0.000 0.467 127 Y N 0.061 120.355 120.300 -0.011 0.000 2.562 127 Y HA 0.351 4.901 4.550 0.000 0.000 0.343 127 Y C 0.437 176.269 175.900 -0.114 0.000 1.025 127 Y CA -1.075 56.992 58.100 -0.056 0.000 1.082 127 Y CB 1.801 40.217 38.460 -0.073 0.000 1.264 127 Y HN 0.186 nan 8.280 nan 0.000 0.478 128 E N 1.459 121.691 120.200 0.054 0.000 2.145 128 E HA 0.486 4.836 4.350 0.000 0.000 0.262 128 E C -1.706 174.815 176.600 -0.132 0.000 0.883 128 E CA -0.594 55.777 56.400 -0.050 0.000 0.748 128 E CB 1.041 30.709 29.700 -0.053 0.000 1.140 128 E HN 0.470 nan 8.360 nan 0.000 0.417 129 V N 5.990 125.768 119.914 -0.227 0.000 2.572 129 V HA 0.149 4.269 4.120 0.000 0.000 0.291 129 V C 0.397 176.362 176.094 -0.215 0.000 1.039 129 V CA 0.085 62.201 62.300 -0.307 0.000 1.055 129 V CB 0.422 32.014 31.823 -0.385 0.000 0.969 129 V HN 0.654 nan 8.190 nan 0.000 0.482 130 L N 5.871 126.949 121.223 -0.240 0.000 2.313 130 L HA 0.573 4.913 4.340 0.000 0.000 0.268 130 L C -2.369 174.380 176.870 -0.202 0.000 1.010 130 L CA -2.164 52.517 54.840 -0.265 0.000 0.814 130 L CB 1.744 43.480 42.059 -0.539 0.000 1.304 130 L HN 0.398 nan 8.230 nan 0.000 0.441 131 P HA 0.176 nan 4.420 nan 0.000 0.269 131 P C -1.197 175.855 177.300 -0.412 0.000 1.209 131 P CA -0.139 62.825 63.100 -0.227 0.000 0.776 131 P CB 0.740 32.357 31.700 -0.138 0.000 0.876 132 A N 2.693 125.214 122.820 -0.499 0.000 2.365 132 A HA 0.667 4.987 4.320 0.000 0.000 0.318 132 A C -1.484 175.678 177.584 -0.703 0.000 1.091 132 A CA -0.555 51.159 52.037 -0.539 0.000 0.763 132 A CB 0.778 19.655 19.000 -0.205 0.000 1.248 132 A HN 0.490 nan 8.150 nan 0.000 0.442 133 Y N 2.242 122.528 120.300 -0.023 0.000 2.328 133 Y HA 0.325 4.875 4.550 0.000 0.000 0.337 133 Y C 1.010 176.871 175.900 -0.066 0.000 0.966 133 Y CA -0.963 57.116 58.100 -0.036 0.000 1.136 133 Y CB 1.749 40.192 38.460 -0.028 0.000 1.170 133 Y HN 0.587 nan 8.280 nan 0.000 0.470 134 M N 0.972 120.596 119.600 0.040 0.000 2.501 134 M HA 0.068 4.548 4.480 0.000 0.000 0.261 134 M C 0.615 176.869 176.300 -0.078 0.000 1.129 134 M CA 0.497 55.775 55.300 -0.038 0.000 1.126 134 M CB -0.437 32.144 32.600 -0.032 0.000 1.359 134 M HN 0.689 nan 8.290 nan 0.000 0.471 135 T N -3.134 111.384 114.554 -0.060 0.000 2.924 135 T HA 0.468 4.818 4.350 0.000 0.000 0.291 135 T C -2.405 172.255 174.700 -0.067 0.000 1.045 135 T CA -1.726 60.279 62.100 -0.159 0.000 1.015 135 T CB 2.617 71.356 68.868 -0.215 0.000 1.103 135 T HN -0.224 nan 8.240 nan 0.000 0.496 136 P HA -0.001 nan 4.420 nan 0.000 0.216 136 P C 1.385 178.673 177.300 -0.019 0.000 1.153 136 P CA 1.098 64.210 63.100 0.021 0.000 0.848 136 P CB 0.107 31.876 31.700 0.115 0.000 0.787 137 K N -0.453 119.924 120.400 -0.039 0.000 2.032 137 K HA -0.120 4.200 4.320 0.000 0.000 0.209 137 K C 2.146 178.709 176.600 -0.061 0.000 1.048 137 K CA 1.652 57.909 56.287 -0.049 0.000 0.927 137 K CB -0.724 31.752 32.500 -0.040 0.000 0.712 137 K HN 0.033 nan 8.250 nan 0.000 0.441 138 A N 1.368 124.163 122.820 -0.041 0.000 1.902 138 A HA -0.109 4.211 4.320 0.000 0.000 0.217 138 A C 2.331 179.800 177.584 -0.193 0.000 1.181 138 A CA 1.851 53.873 52.037 -0.024 0.000 0.623 138 A CB -0.649 18.416 19.000 0.109 0.000 0.818 138 A HN 0.348 nan 8.150 nan 0.000 0.443 139 A N -0.981 121.742 122.820 -0.162 0.000 2.015 139 A HA 0.049 4.369 4.320 0.000 0.000 0.219 139 A C 2.068 179.493 177.584 -0.265 0.000 1.163 139 A CA 1.485 53.330 52.037 -0.320 0.000 0.646 139 A CB -0.436 18.540 19.000 -0.040 0.000 0.806 139 A HN 0.525 nan 8.150 nan 0.000 0.448 140 M N -0.701 118.807 119.600 -0.153 0.000 2.502 140 M HA 0.093 4.573 4.480 0.000 0.000 0.243 140 M C 0.779 177.010 176.300 -0.115 0.000 1.130 140 M CA 0.143 55.380 55.300 -0.105 0.000 1.055 140 M CB 0.032 32.589 32.600 -0.072 0.000 1.457 140 M HN 0.210 nan 8.290 nan 0.000 0.488 141 K N 2.203 122.515 120.400 -0.148 0.000 2.489 141 K HA 0.214 4.534 4.320 0.000 0.000 0.278 141 K C -0.206 176.333 176.600 -0.101 0.000 1.000 141 K CA -0.199 56.021 56.287 -0.111 0.000 1.012 141 K CB 0.663 33.099 32.500 -0.105 0.000 0.903 141 K HN 0.161 nan 8.250 nan 0.000 0.485 142 A N 2.884 125.667 122.820 -0.061 0.000 2.540 142 A HA 0.349 4.669 4.320 0.000 0.000 0.239 142 A C 1.177 178.736 177.584 -0.042 0.000 1.061 142 A CA 0.771 52.782 52.037 -0.043 0.000 0.758 142 A CB -0.372 18.612 19.000 -0.026 0.000 0.991 142 A HN 1.091 nan 8.150 nan 0.000 0.502 143 G N 0.783 109.563 108.800 -0.034 0.000 2.234 143 G HA2 0.153 4.113 3.960 0.000 0.000 0.235 143 G HA3 0.153 4.113 3.960 0.000 0.000 0.235 143 G C 0.672 175.560 174.900 -0.021 0.000 0.997 143 G CA 0.367 45.457 45.100 -0.017 0.000 0.623 143 G HN 2.224 nan 8.290 nan 0.000 0.514 144 A N 0.681 123.441 122.820 -0.100 0.000 2.462 144 A HA 0.607 4.927 4.320 0.000 0.000 0.243 144 A C 0.758 178.318 177.584 -0.041 0.000 1.076 144 A CA 0.134 52.048 52.037 -0.206 0.000 0.773 144 A CB 0.117 18.722 19.000 -0.657 0.000 1.010 144 A HN 0.817 nan 8.150 nan 0.000 0.493 145 I N 1.703 122.379 120.570 0.177 0.000 2.556 145 I HA 0.201 4.371 4.170 0.000 0.000 0.284 145 I C 1.087 177.331 176.117 0.212 0.000 1.114 145 I CA 0.010 61.437 61.300 0.212 0.000 1.418 145 I CB 0.847 39.009 38.000 0.270 0.000 1.394 145 I HN 0.723 nan 8.210 nan 0.000 0.552 146 A N 6.291 129.179 122.820 0.114 0.000 2.450 146 A HA 0.255 4.575 4.320 0.000 0.000 0.255 146 A C 0.815 178.434 177.584 0.058 0.000 1.096 146 A CA -0.402 51.683 52.037 0.080 0.000 0.778 146 A CB 0.436 19.472 19.000 0.059 0.000 1.031 146 A HN 0.752 nan 8.150 nan 0.000 0.494 147 L N 2.066 123.254 121.223 -0.059 0.000 2.056 147 L HA -0.039 4.301 4.340 0.000 0.000 0.207 147 L C 0.895 177.415 176.870 -0.584 0.000 1.078 147 L CA 1.579 56.216 54.840 -0.339 0.000 0.749 147 L CB -0.402 41.313 42.059 -0.574 0.000 0.901 147 L HN 0.709 nan 8.230 nan 0.000 0.433 148 H N -0.830 118.109 119.070 -0.219 0.000 2.547 148 H HA 0.169 4.725 4.556 0.000 0.000 0.342 148 H C 0.085 175.396 175.328 -0.028 0.000 1.048 148 H CA -0.657 55.300 56.048 -0.153 0.000 1.204 148 H CB 1.585 31.189 29.762 -0.264 0.000 1.493 148 H HN 0.003 nan 8.280 nan 0.000 0.511 149 D N 1.102 121.557 120.400 0.091 0.000 2.263 149 D HA -0.146 4.494 4.640 0.000 0.000 0.208 149 D C 1.360 177.714 176.300 0.090 0.000 0.971 149 D CA 1.040 55.086 54.000 0.077 0.000 0.867 149 D CB 0.138 40.974 40.800 0.061 0.000 0.929 149 D HN 0.670 nan 8.370 nan 0.000 0.492 150 D N -0.106 120.361 120.400 0.111 0.000 2.363 150 D HA -0.098 4.542 4.640 0.000 0.000 0.226 150 D C 0.244 176.611 176.300 0.111 0.000 1.020 150 D CA 0.432 54.489 54.000 0.095 0.000 0.892 150 D CB 0.142 40.989 40.800 0.078 0.000 0.900 150 D HN -0.057 nan 8.370 nan 0.000 0.531 151 K N 0.872 121.362 120.400 0.151 0.000 2.753 151 K HA 0.254 4.574 4.320 0.000 0.000 0.185 151 K C -2.144 174.543 176.600 0.146 0.000 1.071 151 K CA -1.780 54.610 56.287 0.171 0.000 0.999 151 K CB 2.023 34.697 32.500 0.290 0.000 1.244 151 K HN -0.103 nan 8.250 nan 0.000 0.594 152 P HA -0.176 nan 4.420 nan 0.000 0.218 152 P C 0.611 177.948 177.300 0.061 0.000 1.146 152 P CA 1.308 64.451 63.100 0.071 0.000 0.813 152 P CB 0.246 31.978 31.700 0.053 0.000 0.778 153 N N -1.961 116.782 118.700 0.072 0.000 2.268 153 N HA 0.010 4.750 4.740 0.000 0.000 0.204 153 N C 0.124 175.676 175.510 0.070 0.000 1.124 153 N CA -0.232 52.849 53.050 0.051 0.000 0.838 153 N CB -1.178 37.341 38.487 0.053 0.000 0.994 153 N HN -0.112 nan 8.380 nan 0.000 0.489 154 N N -0.261 118.520 118.700 0.135 0.000 2.753 154 N HA -0.172 4.568 4.740 0.000 0.000 0.251 154 N C -1.074 174.566 175.510 0.217 0.000 1.097 154 N CA 0.672 53.861 53.050 0.232 0.000 0.786 154 N CB -1.450 37.116 38.487 0.131 0.000 1.137 154 N HN 0.515 nan 8.380 nan 0.000 0.566 155 I N 1.398 122.058 120.570 0.149 0.000 2.306 155 I HA 0.064 4.234 4.170 0.000 0.000 0.288 155 I C 1.663 177.786 176.117 0.010 0.000 1.036 155 I CA -0.546 60.806 61.300 0.086 0.000 1.221 155 I CB 1.172 39.261 38.000 0.149 0.000 1.385 155 I HN -0.056 nan 8.210 nan 0.000 0.472 156 L N 6.295 127.388 121.223 -0.217 0.000 2.017 156 L HA 0.045 4.385 4.340 0.000 0.000 0.208 156 L C 0.796 177.598 176.870 -0.114 0.000 1.073 156 L CA 1.892 56.553 54.840 -0.298 0.000 0.745 156 L CB -0.192 41.470 42.059 -0.661 0.000 0.894 156 L HN 0.660 nan 8.230 nan 0.000 0.432 157 R N -0.421 120.027 120.500 -0.087 0.000 2.594 157 R HA 0.438 4.778 4.340 0.000 0.000 0.265 157 R C -1.476 174.769 176.300 -0.093 0.000 1.070 157 R CA -0.452 55.607 56.100 -0.067 0.000 0.909 157 R CB 1.147 31.402 30.300 -0.076 0.000 1.243 157 R HN 0.243 nan 8.270 nan 0.000 0.455 158 E N 1.868 121.980 120.200 -0.145 0.000 2.244 158 E HA 0.629 4.979 4.350 0.000 0.000 0.266 158 E C -1.085 175.222 176.600 -0.488 0.000 0.914 158 E CA -1.250 54.919 56.400 -0.385 0.000 0.794 158 E CB 2.662 32.209 29.700 -0.255 0.000 1.210 158 E HN 0.251 nan 8.360 nan 0.000 0.414 159 V N 2.656 122.066 119.914 -0.840 0.000 2.638 159 V HA 0.316 4.436 4.120 0.000 0.000 0.306 159 V C -0.987 174.506 176.094 -1.001 0.000 1.052 159 V CA -0.811 61.102 62.300 -0.644 0.000 0.885 159 V CB 1.727 33.286 31.823 -0.440 0.000 0.999 159 V HN 0.648 nan 8.190 nan 0.000 0.424 160 H N 3.313 122.232 119.070 -0.252 0.000 3.172 160 H HA 0.774 5.330 4.556 0.000 0.000 0.322 160 H C -0.291 174.962 175.328 -0.125 0.000 1.003 160 H CA -0.125 55.796 56.048 -0.211 0.000 1.466 160 H CB 2.029 31.695 29.762 -0.160 0.000 1.673 160 H HN 0.841 nan 8.280 nan 0.000 0.512 161 A N 2.712 125.534 122.820 0.004 0.000 2.515 161 A HA 0.702 5.022 4.320 0.000 0.000 0.296 161 A C -0.794 176.726 177.584 -0.106 0.000 1.094 161 A CA -0.735 51.253 52.037 -0.082 0.000 0.718 161 A CB 2.424 21.415 19.000 -0.016 0.000 1.307 161 A HN 0.622 nan 8.150 nan 0.000 0.408 162 E N -0.087 119.896 120.200 -0.362 0.000 2.331 162 E HA 0.553 4.903 4.350 0.000 0.000 0.275 162 E C -2.048 174.248 176.600 -0.507 0.000 0.895 162 E CA -0.258 56.013 56.400 -0.216 0.000 0.753 162 E CB 2.233 31.894 29.700 -0.064 0.000 1.216 162 E HN 0.454 nan 8.360 nan 0.000 0.434 163 F N 0.980 121.006 119.950 0.127 0.000 2.507 163 F HA 0.572 5.099 4.527 0.000 0.000 0.328 163 F C 0.752 176.599 175.800 0.080 0.000 1.136 163 F CA -0.127 57.945 58.000 0.119 0.000 0.930 163 F CB 2.065 41.193 39.000 0.213 0.000 1.166 163 F HN 0.711 nan 8.300 nan 0.000 0.436 164 G N 2.415 111.320 108.800 0.175 0.000 2.728 164 G HA2 -0.150 3.810 3.960 0.000 0.000 0.294 164 G HA3 -0.150 3.810 3.960 0.000 0.000 0.294 164 G C -1.356 173.589 174.900 0.074 0.000 1.342 164 G CA -0.826 44.342 45.100 0.112 0.000 0.866 164 G HN 0.720 nan 8.290 nan 0.000 0.534 165 D N 0.166 120.600 120.400 0.055 0.000 2.479 165 D HA 0.462 5.102 4.640 0.000 0.000 0.218 165 D C 1.734 178.067 176.300 0.055 0.000 1.131 165 D CA 0.088 54.118 54.000 0.050 0.000 0.916 165 D CB 0.804 41.627 40.800 0.039 0.000 1.022 165 D HN 0.319 nan 8.370 nan 0.000 0.515 166 V N 3.634 123.599 119.914 0.084 0.000 2.295 166 V HA -0.221 3.899 4.120 0.000 0.000 0.246 166 V C 2.528 178.742 176.094 0.199 0.000 1.049 166 V CA 2.040 64.415 62.300 0.125 0.000 1.024 166 V CB -0.731 31.211 31.823 0.198 0.000 0.648 166 V HN 0.620 nan 8.190 nan 0.000 0.447 167 A N 0.126 123.052 122.820 0.177 0.000 1.883 167 A HA -0.168 4.152 4.320 0.000 0.000 0.217 167 A C 2.419 180.095 177.584 0.154 0.000 1.186 167 A CA 2.364 54.510 52.037 0.181 0.000 0.624 167 A CB -0.863 18.203 19.000 0.111 0.000 0.822 167 A HN 0.585 nan 8.150 nan 0.000 0.444 168 A N -0.351 122.527 122.820 0.096 0.000 1.898 168 A HA 0.213 4.533 4.320 0.000 0.000 0.216 168 A C 2.508 180.126 177.584 0.056 0.000 1.181 168 A CA 1.976 54.054 52.037 0.069 0.000 0.620 168 A CB -1.010 18.018 19.000 0.046 0.000 0.819 168 A HN 1.067 nan 8.150 nan 0.000 0.442 169 A N -0.999 121.834 122.820 0.022 0.000 1.883 169 A HA -0.049 4.271 4.320 0.000 0.000 0.217 169 A C 1.953 179.491 177.584 -0.076 0.000 1.186 169 A CA 1.669 53.668 52.037 -0.063 0.000 0.624 169 A CB -0.756 18.151 19.000 -0.156 0.000 0.822 169 A HN 0.449 nan 8.150 nan 0.000 0.444 170 F N 0.040 120.011 119.950 0.034 0.000 2.146 170 F HA -0.018 4.509 4.527 0.000 0.000 0.298 170 F C 2.791 178.606 175.800 0.024 0.000 1.096 170 F CA 0.816 58.834 58.000 0.030 0.000 1.275 170 F CB -0.612 38.408 39.000 0.033 0.000 1.008 170 F HN 0.250 nan 8.300 nan 0.000 0.480 171 A N -0.305 122.642 122.820 0.212 0.000 1.978 171 A HA -0.199 4.121 4.320 0.000 0.000 0.220 171 A C 1.891 179.528 177.584 0.088 0.000 1.170 171 A CA 1.812 53.925 52.037 0.126 0.000 0.636 171 A CB -0.695 18.360 19.000 0.092 0.000 0.810 171 A HN 0.475 nan 8.150 nan 0.000 0.448 172 E N -0.384 119.859 120.200 0.072 0.000 2.479 172 E HA 0.355 4.705 4.350 0.000 0.000 0.193 172 E C 0.645 177.269 176.600 0.039 0.000 1.049 172 E CA -0.003 56.424 56.400 0.045 0.000 0.870 172 E CB 0.131 29.849 29.700 0.029 0.000 0.944 172 E HN 0.610 nan 8.360 nan 0.000 0.492 173 A N 1.103 123.957 122.820 0.056 0.000 2.366 173 A HA 0.055 4.375 4.320 0.000 0.000 0.249 173 A C 0.494 178.108 177.584 0.050 0.000 1.084 173 A CA -0.297 51.768 52.037 0.046 0.000 0.794 173 A CB 0.417 19.462 19.000 0.075 0.000 1.034 173 A HN -0.023 nan 8.150 nan 0.000 0.491 174 D N -0.918 119.503 120.400 0.035 0.000 2.301 174 D HA 0.148 4.788 4.640 0.000 0.000 0.206 174 D C -0.242 176.079 176.300 0.034 0.000 0.979 174 D CA 0.927 54.945 54.000 0.031 0.000 0.874 174 D CB 0.243 41.055 40.800 0.020 0.000 0.968 174 D HN 0.265 nan 8.370 nan 0.000 0.510 175 L N 0.685 121.932 121.223 0.040 0.000 2.464 175 L HA 0.440 4.780 4.340 0.000 0.000 0.266 175 L C -1.770 175.139 176.870 0.065 0.000 0.965 175 L CA -0.503 54.360 54.840 0.039 0.000 0.833 175 L CB 2.165 44.236 42.059 0.020 0.000 1.296 175 L HN -0.233 nan 8.230 nan 0.000 0.405 176 I N 5.135 125.747 120.570 0.070 0.000 2.466 176 I HA 0.628 4.798 4.170 0.000 0.000 0.289 176 I C -0.547 175.595 176.117 0.042 0.000 1.026 176 I CA -0.744 60.615 61.300 0.098 0.000 1.078 176 I CB 1.655 39.722 38.000 0.113 0.000 1.249 176 I HN 0.508 nan 8.210 nan 0.000 0.429 177 R N 4.317 124.840 120.500 0.038 0.000 2.771 177 R HA 0.580 4.920 4.340 0.000 0.000 0.274 177 R C -1.178 175.128 176.300 0.010 0.000 0.987 177 R CA -0.839 55.266 56.100 0.008 0.000 0.908 177 R CB 2.722 33.021 30.300 -0.003 0.000 1.213 177 R HN 0.687 nan 8.270 nan 0.000 0.468 178 E N 1.513 121.710 120.200 -0.005 0.000 2.340 178 E HA 0.517 4.867 4.350 0.000 0.000 0.273 178 E C -1.521 175.071 176.600 -0.013 0.000 0.891 178 E CA -0.594 55.809 56.400 0.006 0.000 0.757 178 E CB 2.798 32.490 29.700 -0.013 0.000 1.231 178 E HN 0.470 nan 8.360 nan 0.000 0.439 179 K N 1.362 121.761 120.400 -0.001 0.000 2.546 179 K HA 0.379 4.699 4.320 0.000 0.000 0.264 179 K C -1.769 174.751 176.600 -0.133 0.000 0.937 179 K CA -0.509 55.701 56.287 -0.128 0.000 0.833 179 K CB 2.339 34.698 32.500 -0.236 0.000 1.378 179 K HN 0.451 nan 8.250 nan 0.000 0.432 180 T N 2.634 117.047 114.554 -0.234 0.000 2.794 180 T HA 0.467 4.817 4.350 0.000 0.000 0.280 180 T C -1.406 173.118 174.700 -0.293 0.000 0.987 180 T CA -0.280 61.754 62.100 -0.110 0.000 0.993 180 T CB 0.264 69.115 68.868 -0.029 0.000 0.939 180 T HN 0.327 nan 8.240 nan 0.000 0.449 181 Y N 1.270 121.594 120.300 0.040 0.000 2.446 181 Y HA 0.591 5.141 4.550 0.000 0.000 0.345 181 Y C 0.880 176.694 175.900 -0.142 0.000 0.984 181 Y CA -1.020 57.042 58.100 -0.063 0.000 1.058 181 Y CB 2.010 40.482 38.460 0.020 0.000 1.220 181 Y HN 0.641 nan 8.280 nan 0.000 0.455 182 T N -0.790 113.643 114.554 -0.201 0.000 2.887 182 T HA 0.772 5.123 4.350 0.000 0.000 0.288 182 T C -1.263 173.137 174.700 -0.500 0.000 1.021 182 T CA -0.802 61.141 62.100 -0.262 0.000 1.000 182 T CB 1.058 69.875 68.868 -0.085 0.000 1.034 182 T HN 0.281 nan 8.240 nan 0.000 0.467 183 F N 1.156 120.968 119.950 -0.229 0.000 2.507 183 F HA 0.691 5.218 4.527 0.000 0.000 0.328 183 F C 0.695 176.421 175.800 -0.123 0.000 1.136 183 F CA -1.092 56.860 58.000 -0.080 0.000 0.930 183 F CB 1.559 40.487 39.000 -0.119 0.000 1.166 183 F HN 1.004 nan 8.300 nan 0.000 0.436 184 A N 2.236 125.197 122.820 0.236 0.000 2.448 184 A HA 0.197 4.517 4.320 0.000 0.000 0.239 184 A C 0.335 178.106 177.584 0.310 0.000 1.080 184 A CA -0.356 51.883 52.037 0.336 0.000 0.779 184 A CB 0.169 19.318 19.000 0.248 0.000 1.026 184 A HN 0.823 nan 8.150 nan 0.000 0.499 185 E N 0.112 120.542 120.200 0.383 0.000 2.373 185 E HA 0.397 4.747 4.350 0.000 0.000 0.267 185 E C -0.363 176.394 176.600 0.261 0.000 1.032 185 E CA -0.334 56.266 56.400 0.333 0.000 0.889 185 E CB 0.544 30.473 29.700 0.382 0.000 0.984 185 E HN 0.631 nan 8.360 nan 0.000 0.425 186 V N 1.522 121.583 119.914 0.244 0.000 3.074 186 V HA 0.573 4.693 4.120 0.000 0.000 0.314 186 V C -0.518 175.698 176.094 0.203 0.000 1.117 186 V CA -1.166 61.291 62.300 0.262 0.000 1.014 186 V CB 1.814 33.744 31.823 0.179 0.000 1.057 186 V HN 0.787 nan 8.190 nan 0.000 0.438 187 N N -0.504 118.271 118.700 0.126 0.000 2.292 187 N HA 0.388 5.128 4.740 0.000 0.000 0.303 187 N C 0.332 175.756 175.510 -0.143 0.000 1.140 187 N CA -0.439 52.589 53.050 -0.037 0.000 0.788 187 N CB 2.208 40.677 38.487 -0.030 0.000 1.361 187 N HN 0.887 nan 8.380 nan 0.000 0.489 188 H N 0.802 119.857 119.070 -0.025 0.000 2.457 188 H HA 0.036 4.592 4.556 0.000 0.000 0.294 188 H C 0.694 175.981 175.328 -0.068 0.000 1.064 188 H CA 0.691 56.745 56.048 0.010 0.000 1.330 188 H CB -0.059 29.815 29.762 0.186 0.000 1.395 188 H HN 0.311 nan 8.280 nan 0.000 0.541 189 V N 2.339 122.178 119.914 -0.125 0.000 5.482 189 V HA -0.292 3.828 4.120 0.000 0.000 0.262 189 V C -0.263 175.795 176.094 -0.059 0.000 0.664 189 V CA 1.041 63.192 62.300 -0.247 0.000 0.609 189 V CB -2.792 28.984 31.823 -0.079 0.000 0.306 189 V HN 0.716 nan 8.190 nan 0.000 0.731 190 H N 0.023 119.212 119.070 0.197 0.000 2.897 190 H HA 0.408 4.964 4.556 0.000 0.000 0.347 190 H C 0.947 176.343 175.328 0.113 0.000 1.068 190 H CA -0.462 55.767 56.048 0.302 0.000 1.426 190 H CB 0.385 30.282 29.762 0.225 0.000 1.410 190 H HN 0.161 nan 8.280 nan 0.000 0.597 191 M N 0.505 120.251 119.600 0.243 0.000 2.394 191 M HA -0.030 4.450 4.480 0.000 0.000 0.264 191 M C 0.688 177.026 176.300 0.062 0.000 1.073 191 M CA 0.771 56.130 55.300 0.099 0.000 1.111 191 M CB -0.796 31.843 32.600 0.065 0.000 1.401 191 M HN 0.862 nan 8.290 nan 0.000 0.448 192 E N 1.628 121.891 120.200 0.104 0.000 2.316 192 E HA 0.244 4.594 4.350 0.000 0.000 0.275 192 E C -0.765 175.905 176.600 0.117 0.000 1.029 192 E CA -0.235 56.183 56.400 0.031 0.000 0.871 192 E CB 0.839 30.527 29.700 -0.020 0.000 1.022 192 E HN 0.256 nan 8.360 nan 0.000 0.418 193 L N 3.787 125.024 121.223 0.023 0.000 2.439 193 L HA 0.119 4.459 4.340 0.000 0.000 0.269 193 L C 0.724 177.573 176.870 -0.036 0.000 1.179 193 L CA -0.647 54.192 54.840 -0.002 0.000 0.828 193 L CB 0.260 42.293 42.059 -0.044 0.000 1.106 193 L HN 0.582 nan 8.230 nan 0.000 0.467 194 N N 1.466 120.098 118.700 -0.114 0.000 2.441 194 N HA 0.458 5.198 4.740 0.000 0.000 0.251 194 N C -0.398 174.880 175.510 -0.387 0.000 1.242 194 N CA 0.162 53.016 53.050 -0.326 0.000 0.898 194 N CB 1.156 39.173 38.487 -0.783 0.000 1.100 194 N HN 0.725 nan 8.380 nan 0.000 0.443 195 A N 0.577 123.251 122.820 -0.243 0.000 2.599 195 A HA 0.671 4.991 4.320 0.000 0.000 0.294 195 A C -1.091 176.566 177.584 0.123 0.000 1.055 195 A CA -0.655 51.332 52.037 -0.083 0.000 0.683 195 A CB 1.186 20.171 19.000 -0.024 0.000 1.278 195 A HN 0.448 nan 8.150 nan 0.000 0.412 196 T N 1.238 115.873 114.554 0.136 0.000 2.971 196 T HA 0.542 4.892 4.350 0.000 0.000 0.304 196 T C -1.478 173.273 174.700 0.084 0.000 1.038 196 T CA -0.296 61.891 62.100 0.145 0.000 1.007 196 T CB 1.329 70.311 68.868 0.190 0.000 1.055 196 T HN 1.123 nan 8.240 nan 0.000 0.451 197 L N 3.437 124.696 121.223 0.060 0.000 2.298 197 L HA 0.858 5.198 4.340 0.000 0.000 0.284 197 L C -0.558 176.334 176.870 0.038 0.000 1.013 197 L CA -0.452 54.415 54.840 0.046 0.000 0.824 197 L CB 0.594 42.676 42.059 0.039 0.000 1.221 197 L HN 0.789 nan 8.230 nan 0.000 0.418 198 A N 4.865 127.710 122.820 0.042 0.000 2.291 198 A HA 0.674 4.994 4.320 0.000 0.000 0.311 198 A C -0.638 176.980 177.584 0.057 0.000 1.224 198 A CA -0.543 51.520 52.037 0.042 0.000 0.821 198 A CB 0.443 19.467 19.000 0.040 0.000 1.172 198 A HN 0.731 nan 8.150 nan 0.000 0.494 199 E N 1.820 122.052 120.200 0.054 0.000 2.092 199 E HA 0.273 4.623 4.350 0.000 0.000 0.271 199 E C -1.772 174.883 176.600 0.092 0.000 0.919 199 E CA -0.313 56.121 56.400 0.057 0.000 0.760 199 E CB 1.743 31.455 29.700 0.021 0.000 1.106 199 E HN 0.628 nan 8.360 nan 0.000 0.408 200 Y N 2.884 123.180 120.300 -0.006 0.000 2.331 200 Y HA 0.188 4.738 4.550 0.000 0.000 0.338 200 Y C -0.698 175.200 175.900 -0.003 0.000 0.992 200 Y CA -1.084 57.012 58.100 -0.007 0.000 1.121 200 Y CB 1.072 39.529 38.460 -0.004 0.000 1.184 200 Y HN 0.343 nan 8.280 nan 0.000 0.469 201 D N 8.849 128.850 120.400 -0.665 0.000 2.412 201 D HA 0.253 4.894 4.640 0.000 0.000 0.224 201 D C -2.070 173.775 176.300 -0.757 0.000 1.093 201 D CA -2.615 51.095 54.000 -0.484 0.000 0.850 201 D CB 1.806 42.426 40.800 -0.299 0.000 1.046 201 D HN 0.377 nan 8.370 nan 0.000 0.507 202 P HA -0.072 nan 4.420 nan 0.000 0.231 202 P C 1.326 178.564 177.300 -0.103 0.000 1.168 202 P CA 0.172 63.164 63.100 -0.180 0.000 0.779 202 P CB 0.646 32.417 31.700 0.118 0.000 0.844 203 V N 0.830 120.675 119.914 -0.116 0.000 2.453 203 V HA -0.076 4.044 4.120 0.000 0.000 0.247 203 V C 2.456 178.506 176.094 -0.074 0.000 1.048 203 V CA 1.689 63.950 62.300 -0.066 0.000 1.049 203 V CB -1.002 30.788 31.823 -0.055 0.000 0.672 203 V HN 0.119 nan 8.190 nan 0.000 0.457 204 R N -0.512 119.914 120.500 -0.122 0.000 2.365 204 R HA 0.147 4.487 4.340 0.000 0.000 0.223 204 R C 0.374 176.610 176.300 -0.107 0.000 0.899 204 R CA 0.424 56.465 56.100 -0.098 0.000 1.059 204 R CB 0.168 30.410 30.300 -0.097 0.000 1.086 204 R HN 0.451 nan 8.270 nan 0.000 0.522 205 D N 1.190 121.476 120.400 -0.190 0.000 2.828 205 D HA -0.170 4.470 4.640 0.000 0.000 0.241 205 D C -1.014 175.220 176.300 -0.110 0.000 1.142 205 D CA 1.044 54.970 54.000 -0.122 0.000 0.755 205 D CB -0.627 40.214 40.800 0.067 0.000 1.014 205 D HN 0.176 nan 8.370 nan 0.000 0.420 206 M N 0.795 120.217 119.600 -0.297 0.000 2.446 206 M HA 0.473 4.953 4.480 0.000 0.000 0.294 206 M C -0.938 175.280 176.300 -0.136 0.000 1.158 206 M CA -1.191 54.029 55.300 -0.133 0.000 0.899 206 M CB 2.143 34.679 32.600 -0.107 0.000 1.687 206 M HN 0.126 nan 8.290 nan 0.000 0.455 207 L N 1.916 123.149 121.223 0.016 0.000 2.341 207 L HA 0.730 5.070 4.340 0.000 0.000 0.278 207 L C -1.017 175.851 176.870 -0.004 0.000 1.005 207 L CA 0.340 55.224 54.840 0.073 0.000 0.818 207 L CB 2.188 44.338 42.059 0.151 0.000 1.259 207 L HN 0.700 nan 8.230 nan 0.000 0.418 208 T N 6.118 120.668 114.554 -0.006 0.000 2.812 208 T HA 0.641 4.991 4.350 0.000 0.000 0.282 208 T C -0.668 174.019 174.700 -0.022 0.000 0.990 208 T CA -0.309 61.772 62.100 -0.032 0.000 0.960 208 T CB 0.932 69.784 68.868 -0.027 0.000 0.948 208 T HN 0.432 nan 8.240 nan 0.000 0.438 209 L N 3.527 124.722 121.223 -0.045 0.000 2.346 209 L HA 0.580 4.920 4.340 0.000 0.000 0.276 209 L C -0.246 176.610 176.870 -0.024 0.000 1.006 209 L CA -0.995 53.827 54.840 -0.030 0.000 0.817 209 L CB 1.708 43.736 42.059 -0.052 0.000 1.272 209 L HN 0.505 nan 8.230 nan 0.000 0.421 210 N N 0.703 119.402 118.700 -0.001 0.000 2.392 210 N HA 0.645 5.385 4.740 0.000 0.000 0.283 210 N C -0.883 174.642 175.510 0.025 0.000 1.003 210 N CA -0.234 52.820 53.050 0.006 0.000 0.892 210 N CB 2.126 40.622 38.487 0.016 0.000 1.193 210 N HN 0.510 nan 8.380 nan 0.000 0.487 211 T N -0.613 113.955 114.554 0.024 0.000 2.868 211 T HA 0.353 4.703 4.350 0.000 0.000 0.306 211 T C -0.911 173.822 174.700 0.054 0.000 1.224 211 T CA -0.716 61.418 62.100 0.056 0.000 1.012 211 T CB 0.781 69.667 68.868 0.031 0.000 1.221 211 T HN 0.462 nan 8.240 nan 0.000 0.499 212 T N 1.008 115.622 114.554 0.100 0.000 3.781 212 T HA 0.471 4.821 4.350 0.000 0.000 0.286 212 T C 0.154 174.866 174.700 0.021 0.000 1.277 212 T CA -0.419 61.716 62.100 0.058 0.000 1.136 212 T CB -0.498 68.403 68.868 0.055 0.000 1.202 212 T HN 0.520 nan 8.240 nan 0.000 0.884 213 T N 1.463 116.008 114.554 -0.015 0.000 2.900 213 T HA 0.348 4.698 4.350 0.000 0.000 0.295 213 T C 0.546 175.215 174.700 -0.052 0.000 1.044 213 T CA -0.685 61.394 62.100 -0.035 0.000 0.995 213 T CB 1.985 70.834 68.868 -0.032 0.000 1.072 213 T HN 0.497 nan 8.240 nan 0.000 0.473 214 Q N 1.384 121.152 119.800 -0.052 0.000 2.356 214 Q HA 0.216 4.556 4.340 0.000 0.000 0.205 214 Q C 0.564 176.545 176.000 -0.033 0.000 0.901 214 Q CA 0.139 55.913 55.803 -0.049 0.000 0.938 214 Q CB 0.649 29.363 28.738 -0.039 0.000 1.081 214 Q HN 0.531 nan 8.270 nan 0.000 0.517 215 V N -2.663 117.227 119.914 -0.040 0.000 2.405 215 V HA 0.277 4.397 4.120 0.000 0.000 0.253 215 V C -2.277 173.795 176.094 -0.036 0.000 0.963 215 V CA -1.606 60.632 62.300 -0.103 0.000 1.003 215 V CB 0.604 32.283 31.823 -0.239 0.000 1.251 215 V HN -0.094 nan 8.190 nan 0.000 0.520 216 P HA -0.239 nan 4.420 nan 0.000 0.218 216 P C 1.399 178.790 177.300 0.151 0.000 1.148 216 P CA 1.621 64.752 63.100 0.053 0.000 0.822 216 P CB 0.250 31.972 31.700 0.037 0.000 0.784 217 Y N -0.227 120.081 120.300 0.013 0.000 2.145 217 Y HA -0.265 4.285 4.550 0.000 0.000 0.286 217 Y C 2.475 178.475 175.900 0.167 0.000 1.145 217 Y CA 1.428 59.568 58.100 0.066 0.000 1.148 217 Y CB -0.738 37.737 38.460 0.025 0.000 0.981 217 Y HN -0.219 nan 8.280 nan 0.000 0.507 218 Y N -0.216 120.015 120.300 -0.115 0.000 2.224 218 Y HA -0.216 4.334 4.550 0.000 0.000 0.289 218 Y C 2.649 178.443 175.900 -0.176 0.000 1.146 218 Y CA 0.865 58.818 58.100 -0.246 0.000 1.182 218 Y CB -1.279 37.123 38.460 -0.097 0.000 0.983 218 Y HN 0.076 nan 8.280 nan 0.000 0.524 219 V N -0.539 119.415 119.914 0.066 0.000 2.343 219 V HA -0.328 3.792 4.120 0.000 0.000 0.247 219 V C 2.250 178.344 176.094 0.000 0.000 1.051 219 V CA 2.261 64.547 62.300 -0.024 0.000 1.036 219 V CB -0.808 30.988 31.823 -0.045 0.000 0.654 219 V HN 0.466 nan 8.190 nan 0.000 0.451 220 H N -0.519 118.517 119.070 -0.058 0.000 2.319 220 H HA -0.147 4.409 4.556 0.000 0.000 0.299 220 H C 2.271 177.541 175.328 -0.097 0.000 1.092 220 H CA 1.768 57.788 56.048 -0.047 0.000 1.302 220 H CB 0.043 29.816 29.762 0.018 0.000 1.373 220 H HN 0.300 nan 8.280 nan 0.000 0.497 221 L N 0.223 121.422 121.223 -0.040 0.000 2.046 221 L HA -0.182 4.158 4.340 0.000 0.000 0.208 221 L C 2.382 179.190 176.870 -0.104 0.000 1.077 221 L CA 1.000 55.742 54.840 -0.163 0.000 0.747 221 L CB -0.234 41.581 42.059 -0.406 0.000 0.896 221 L HN 0.241 nan 8.230 nan 0.000 0.432 222 K N -0.297 120.037 120.400 -0.110 0.000 2.167 222 K HA -0.000 4.320 4.320 0.000 0.000 0.203 222 K C 2.113 178.649 176.600 -0.107 0.000 1.052 222 K CA 0.750 56.969 56.287 -0.113 0.000 0.956 222 K CB -0.472 31.921 32.500 -0.178 0.000 0.735 222 K HN 0.130 nan 8.250 nan 0.000 0.451 223 V N 1.847 121.702 119.914 -0.098 0.000 2.295 223 V HA -0.224 3.896 4.120 0.000 0.000 0.246 223 V C 2.465 178.542 176.094 -0.028 0.000 1.049 223 V CA 1.968 64.219 62.300 -0.082 0.000 1.024 223 V CB -0.790 30.983 31.823 -0.084 0.000 0.648 223 V HN 0.259 nan 8.190 nan 0.000 0.447 224 A N 0.021 122.849 122.820 0.013 0.000 1.883 224 A HA -0.174 4.146 4.320 0.000 0.000 0.217 224 A C 2.425 180.015 177.584 0.010 0.000 1.186 224 A CA 2.376 54.434 52.037 0.034 0.000 0.624 224 A CB -0.885 18.156 19.000 0.069 0.000 0.822 224 A HN 0.577 nan 8.150 nan 0.000 0.444 225 A N -1.074 121.742 122.820 -0.006 0.000 1.873 225 A HA -0.163 4.157 4.320 0.000 0.000 0.215 225 A C 2.319 179.913 177.584 0.017 0.000 1.186 225 A CA 1.712 53.749 52.037 0.000 0.000 0.616 225 A CB -1.285 17.708 19.000 -0.011 0.000 0.823 225 A HN 0.622 nan 8.150 nan 0.000 0.442 226 C N -0.696 118.612 119.300 0.012 0.000 2.435 226 C HA 0.051 4.511 4.460 0.000 0.000 0.279 226 C C 2.330 177.335 174.990 0.026 0.000 1.321 226 C CA 0.750 59.790 59.018 0.036 0.000 1.752 226 C CB -1.314 26.439 27.740 0.021 0.000 1.959 226 C HN 0.576 nan 8.230 nan 0.000 0.500 227 L N -0.123 121.101 121.223 0.002 0.000 2.592 227 L HA 0.059 4.399 4.340 0.000 0.000 0.227 227 L C 0.620 177.494 176.870 0.006 0.000 1.127 227 L CA 0.446 55.283 54.840 -0.004 0.000 0.884 227 L CB -0.622 41.425 42.059 -0.021 0.000 1.065 227 L HN 0.438 nan 8.230 nan 0.000 0.457 228 Q N 0.580 120.390 119.800 0.016 0.000 2.452 228 Q HA -0.207 4.133 4.340 0.000 0.000 0.318 228 Q C -0.202 175.812 176.000 0.023 0.000 1.386 228 Q CA 0.720 56.535 55.803 0.020 0.000 0.872 228 Q CB -1.184 27.567 28.738 0.021 0.000 1.151 228 Q HN 0.491 nan 8.270 nan 0.000 0.417 229 M N 0.412 120.029 119.600 0.028 0.000 2.395 229 M HA 0.315 4.795 4.480 0.000 0.000 0.307 229 M C -0.589 175.740 176.300 0.048 0.000 1.091 229 M CA -0.754 54.571 55.300 0.042 0.000 0.919 229 M CB 1.487 34.115 32.600 0.047 0.000 1.662 229 M HN 0.095 nan 8.290 nan 0.000 0.440 230 D N 2.204 122.634 120.400 0.051 0.000 2.493 230 D HA -0.023 4.617 4.640 0.000 0.000 0.240 230 D C 0.876 177.223 176.300 0.078 0.000 1.142 230 D CA 0.574 54.605 54.000 0.053 0.000 0.872 230 D CB 1.137 41.965 40.800 0.048 0.000 1.173 230 D HN 0.790 nan 8.370 nan 0.000 0.467 231 S N 3.013 118.762 115.700 0.082 0.000 2.419 231 S HA -0.173 4.297 4.470 0.000 0.000 0.235 231 S C 1.836 176.557 174.600 0.203 0.000 1.019 231 S CA 0.846 59.138 58.200 0.153 0.000 0.982 231 S CB -0.112 63.113 63.200 0.041 0.000 0.789 231 S HN 0.528 nan 8.310 nan 0.000 0.490 232 A N 1.517 124.403 122.820 0.110 0.000 2.168 232 A HA 0.159 4.479 4.320 0.000 0.000 0.215 232 A C 2.136 179.771 177.584 0.084 0.000 1.152 232 A CA 0.461 52.554 52.037 0.094 0.000 0.716 232 A CB -0.342 18.691 19.000 0.054 0.000 0.794 232 A HN 0.552 nan 8.150 nan 0.000 0.465 233 R N -0.972 119.578 120.500 0.082 0.000 2.359 233 R HA 0.398 4.738 4.340 0.000 0.000 0.231 233 R C -0.710 175.614 176.300 0.041 0.000 0.913 233 R CA 0.091 56.223 56.100 0.055 0.000 1.075 233 R CB 0.233 30.569 30.300 0.061 0.000 1.087 233 R HN 0.410 nan 8.270 nan 0.000 0.515 234 I N 0.508 121.105 120.570 0.045 0.000 2.509 234 I HA 0.335 4.505 4.170 0.000 0.000 0.293 234 I C -0.392 175.607 176.117 -0.197 0.000 1.020 234 I CA -0.950 60.303 61.300 -0.079 0.000 1.088 234 I CB 2.150 40.073 38.000 -0.128 0.000 1.267 234 I HN -0.123 nan 8.210 nan 0.000 0.430 235 R N 5.423 125.803 120.500 -0.200 0.000 2.534 235 R HA 0.761 5.101 4.340 0.000 0.000 0.301 235 R C -1.968 174.208 176.300 -0.207 0.000 0.961 235 R CA -0.496 55.503 56.100 -0.168 0.000 0.871 235 R CB 1.944 32.207 30.300 -0.061 0.000 1.170 235 R HN 0.452 nan 8.270 nan 0.000 0.446 236 V N 6.542 126.338 119.914 -0.196 0.000 2.487 236 V HA 0.504 4.624 4.120 0.000 0.000 0.298 236 V C -0.229 175.839 176.094 -0.043 0.000 1.028 236 V CA -0.647 61.579 62.300 -0.123 0.000 0.860 236 V CB 1.765 33.520 31.823 -0.113 0.000 0.991 236 V HN 0.683 nan 8.190 nan 0.000 0.427 237 I N 4.259 124.806 120.570 -0.039 0.000 2.545 237 I HA 0.504 4.674 4.170 0.000 0.000 0.292 237 I C -0.277 175.820 176.117 -0.033 0.000 1.040 237 I CA -0.679 60.602 61.300 -0.031 0.000 1.068 237 I CB 2.130 40.112 38.000 -0.030 0.000 1.251 237 I HN 0.490 nan 8.210 nan 0.000 0.424 238 K N 8.111 128.483 120.400 -0.046 0.000 2.293 238 K HA 0.501 4.821 4.320 0.000 0.000 0.267 238 K C -2.516 174.031 176.600 -0.089 0.000 1.010 238 K CA -1.496 54.759 56.287 -0.054 0.000 0.875 238 K CB 1.553 34.014 32.500 -0.065 0.000 1.106 238 K HN 0.263 nan 8.250 nan 0.000 0.450 239 P HA 0.145 nan 4.420 nan 0.000 0.333 239 P C -0.218 176.984 177.300 -0.164 0.000 1.315 239 P CA -0.466 62.583 63.100 -0.086 0.000 0.746 239 P CB 0.350 32.049 31.700 -0.001 0.000 1.575 240 F N -1.009 118.768 119.950 -0.289 0.000 2.553 240 F HA 0.141 4.668 4.527 0.000 0.000 0.356 240 F C 1.000 176.653 175.800 -0.244 0.000 1.142 240 F CA 0.431 58.162 58.000 -0.448 0.000 1.322 240 F CB -0.029 38.330 39.000 -1.068 0.000 1.126 240 F HN 0.009 nan 8.300 nan 0.000 0.599 241 L N 2.347 123.644 121.223 0.123 0.000 2.381 241 L HA 0.557 4.897 4.340 0.000 0.000 0.274 241 L C 0.273 177.346 176.870 0.337 0.000 0.988 241 L CA -0.180 54.789 54.840 0.216 0.000 0.824 241 L CB 1.833 43.904 42.059 0.020 0.000 1.263 241 L HN 0.590 nan 8.230 nan 0.000 0.410 242 G N 3.410 112.387 108.800 0.296 0.000 3.401 242 G HA2 0.483 4.443 3.960 0.000 0.000 0.251 242 G HA3 0.483 4.443 3.960 0.000 0.000 0.251 242 G C 0.518 175.439 174.900 0.036 0.000 0.960 242 G CA 0.371 45.547 45.100 0.126 0.000 1.900 242 G HN 1.242 nan 8.290 nan 0.000 0.645 243 G N -0.835 107.929 108.800 -0.059 0.000 2.812 243 G HA2 0.344 4.304 3.960 0.000 0.000 0.286 243 G HA3 0.344 4.304 3.960 0.000 0.000 0.286 243 G C 0.662 175.313 174.900 -0.415 0.000 1.381 243 G CA 0.011 44.913 45.100 -0.330 0.000 0.861 243 G HN 1.531 nan 8.290 nan 0.000 0.542 244 G N -3.121 105.256 108.800 -0.706 0.000 4.234 244 G HA2 0.491 4.451 3.960 0.000 0.000 0.206 244 G HA3 0.491 4.451 3.960 0.000 0.000 0.206 244 G C 0.675 175.511 174.900 -0.107 0.000 1.204 244 G CA 0.804 45.689 45.100 -0.358 0.000 0.998 244 G HN 1.949 nan 8.290 nan 0.000 0.417 245 F N 0.720 120.708 119.950 0.063 0.000 3.084 245 F HA -0.103 4.424 4.527 0.000 0.000 0.286 245 F C 1.935 177.816 175.800 0.135 0.000 0.855 245 F CA 1.559 59.626 58.000 0.111 0.000 1.091 245 F CB -1.634 37.481 39.000 0.192 0.000 1.177 245 F HN 1.583 nan 8.300 nan 0.000 0.542 246 G N -1.712 107.136 108.800 0.080 0.000 2.278 246 G HA2 -0.012 3.948 3.960 0.000 0.000 0.210 246 G HA3 -0.012 3.948 3.960 0.000 0.000 0.210 246 G C 1.108 175.927 174.900 -0.134 0.000 1.000 246 G CA 0.432 45.546 45.100 0.023 0.000 0.635 246 G HN 1.339 nan 8.290 nan 0.000 0.495 247 A N 0.345 122.819 122.820 -0.578 0.000 1.978 247 A HA 0.159 4.480 4.320 0.000 0.000 0.220 247 A C 1.958 179.448 177.584 -0.157 0.000 1.170 247 A CA 1.987 53.606 52.037 -0.697 0.000 0.636 247 A CB -0.249 18.339 19.000 -0.688 0.000 0.810 247 A HN 0.499 nan 8.150 nan 0.000 0.448 248 R N -0.261 120.165 120.500 -0.123 0.000 2.694 248 R HA 0.128 4.468 4.340 0.000 0.000 0.334 248 R C 0.601 176.912 176.300 0.019 0.000 1.143 248 R CA 0.633 56.705 56.100 -0.047 0.000 1.073 248 R CB 0.020 30.248 30.300 -0.120 0.000 1.366 248 R HN 0.528 nan 8.270 nan 0.000 0.577 249 T N -2.302 112.308 114.554 0.095 0.000 3.163 249 T HA 0.091 4.441 4.350 0.000 0.000 0.252 249 T C 0.176 175.098 174.700 0.371 0.000 1.056 249 T CA -0.383 61.842 62.100 0.210 0.000 0.947 249 T CB -0.173 68.829 68.868 0.222 0.000 1.016 249 T HN 0.342 nan 8.240 nan 0.000 0.554 250 E N 0.271 120.627 120.200 0.260 0.000 2.367 250 E HA 0.685 5.035 4.350 0.000 0.000 0.273 250 E C -0.999 175.651 176.600 0.084 0.000 0.903 250 E CA -1.596 54.925 56.400 0.201 0.000 0.764 250 E CB 1.665 31.442 29.700 0.129 0.000 1.252 250 E HN 0.093 nan 8.360 nan 0.000 0.446 251 A N 2.964 125.799 122.820 0.024 0.000 2.511 251 A HA 0.362 4.682 4.320 0.000 0.000 0.242 251 A C -0.303 177.133 177.584 -0.247 0.000 1.069 251 A CA -0.136 51.810 52.037 -0.150 0.000 0.763 251 A CB -0.042 18.830 19.000 -0.212 0.000 1.001 251 A HN 0.549 nan 8.150 nan 0.000 0.498 252 L N 2.615 123.578 121.223 -0.434 0.000 2.334 252 L HA 0.357 4.697 4.340 0.000 0.000 0.272 252 L C 1.939 178.382 176.870 -0.712 0.000 1.020 252 L CA -0.968 53.576 54.840 -0.493 0.000 0.812 252 L CB 1.289 42.938 42.059 -0.684 0.000 1.264 252 L HN 1.021 nan 8.230 nan 0.000 0.439 253 H N 1.373 120.277 119.070 -0.276 0.000 2.353 253 H HA -0.241 4.315 4.556 0.000 0.000 0.298 253 H C 1.793 177.007 175.328 -0.191 0.000 1.103 253 H CA 2.380 58.322 56.048 -0.177 0.000 1.293 253 H CB -0.717 29.153 29.762 0.181 0.000 1.372 253 H HN 0.703 nan 8.280 nan 0.000 0.501 254 F N 1.922 121.638 119.950 -0.389 0.000 2.269 254 F HA 0.024 4.551 4.527 0.000 0.000 0.301 254 F C 2.055 177.793 175.800 -0.103 0.000 1.082 254 F CA 0.796 58.709 58.000 -0.146 0.000 1.360 254 F CB -0.463 38.443 39.000 -0.157 0.000 1.041 254 F HN 0.096 nan 8.300 nan 0.000 0.512 255 E N 1.418 121.211 120.200 -0.679 0.000 2.072 255 E HA -0.115 4.235 4.350 0.000 0.000 0.191 255 E C 2.299 178.768 176.600 -0.218 0.000 0.985 255 E CA 1.585 57.776 56.400 -0.347 0.000 0.801 255 E CB -0.338 29.076 29.700 -0.477 0.000 0.750 255 E HN 0.519 nan 8.360 nan 0.000 0.452 256 I N 1.106 121.502 120.570 -0.290 0.000 2.252 256 I HA -0.239 3.931 4.170 0.000 0.000 0.245 256 I C 2.392 178.455 176.117 -0.089 0.000 1.102 256 I CA 0.997 62.173 61.300 -0.206 0.000 1.385 256 I CB -0.185 37.632 38.000 -0.306 0.000 1.064 256 I HN 0.068 nan 8.210 nan 0.000 0.414 257 I N 0.830 121.377 120.570 -0.039 0.000 2.286 257 I HA -0.279 3.891 4.170 0.000 0.000 0.248 257 I C 2.804 178.938 176.117 0.028 0.000 1.115 257 I CA 1.245 62.564 61.300 0.031 0.000 1.392 257 I CB -0.442 37.622 38.000 0.105 0.000 1.065 257 I HN 0.185 nan 8.210 nan 0.000 0.418 258 A N 0.914 123.755 122.820 0.036 0.000 1.908 258 A HA -0.157 4.163 4.320 0.000 0.000 0.218 258 A C 2.440 180.030 177.584 0.011 0.000 1.181 258 A CA 2.007 54.069 52.037 0.041 0.000 0.627 258 A CB -1.433 17.606 19.000 0.066 0.000 0.818 258 A HN 0.461 nan 8.150 nan 0.000 0.445 259 G N -0.379 108.413 108.800 -0.014 0.000 2.402 259 G HA2 -0.117 3.843 3.960 0.000 0.000 0.216 259 G HA3 -0.117 3.843 3.960 0.000 0.000 0.216 259 G C 1.512 176.379 174.900 -0.054 0.000 1.162 259 G CA 1.128 46.214 45.100 -0.024 0.000 0.777 259 G HN 0.496 nan 8.290 nan 0.000 0.539 260 L N 0.335 121.528 121.223 -0.049 0.000 2.017 260 L HA 0.066 4.406 4.340 0.000 0.000 0.208 260 L C 2.714 179.542 176.870 -0.069 0.000 1.073 260 L CA 1.417 56.219 54.840 -0.062 0.000 0.745 260 L CB -0.313 41.730 42.059 -0.027 0.000 0.894 260 L HN 0.200 nan 8.230 nan 0.000 0.432 261 L N -0.792 120.412 121.223 -0.032 0.000 2.056 261 L HA -0.162 4.178 4.340 0.000 0.000 0.207 261 L C 2.678 179.528 176.870 -0.034 0.000 1.078 261 L CA 1.125 55.952 54.840 -0.022 0.000 0.749 261 L CB -0.881 41.184 42.059 0.010 0.000 0.901 261 L HN 0.383 nan 8.230 nan 0.000 0.433 262 A N 0.038 122.843 122.820 -0.025 0.000 1.933 262 A HA -0.238 4.082 4.320 0.000 0.000 0.218 262 A C 2.426 179.956 177.584 -0.091 0.000 1.175 262 A CA 1.728 53.770 52.037 0.008 0.000 0.628 262 A CB -0.538 18.506 19.000 0.073 0.000 0.814 262 A HN 0.356 nan 8.150 nan 0.000 0.444 263 R N -0.437 119.872 120.500 -0.319 0.000 2.075 263 R HA -0.157 4.183 4.340 0.000 0.000 0.232 263 R C 2.153 178.203 176.300 -0.416 0.000 1.126 263 R CA 1.861 57.461 56.100 -0.834 0.000 0.963 263 R CB -0.199 29.612 30.300 -0.814 0.000 0.858 263 R HN 0.336 nan 8.270 nan 0.000 0.435 264 K N 0.385 120.657 120.400 -0.213 0.000 2.057 264 K HA -0.036 4.284 4.320 0.000 0.000 0.207 264 K C 1.585 178.150 176.600 -0.059 0.000 1.049 264 K CA 1.729 57.949 56.287 -0.112 0.000 0.931 264 K CB -0.222 32.236 32.500 -0.069 0.000 0.714 264 K HN 0.287 nan 8.250 nan 0.000 0.440 265 A N 0.384 123.182 122.820 -0.036 0.000 2.208 265 A HA 0.062 4.382 4.320 0.000 0.000 0.209 265 A C -0.043 177.570 177.584 0.048 0.000 1.161 265 A CA 0.633 52.675 52.037 0.009 0.000 0.782 265 A CB -0.387 18.625 19.000 0.019 0.000 0.816 265 A HN 0.414 nan 8.150 nan 0.000 0.477 266 K N -1.350 119.093 120.400 0.073 0.000 3.077 266 K HA -0.195 4.125 4.320 0.000 0.000 0.264 266 K C 0.542 177.267 176.600 0.209 0.000 1.008 266 K CA 0.357 56.777 56.287 0.222 0.000 0.740 266 K CB -2.013 30.579 32.500 0.154 0.000 1.273 266 K HN 0.827 nan 8.250 nan 0.000 0.477 267 G N -0.918 107.999 108.800 0.195 0.000 2.694 267 G HA2 0.458 4.418 3.960 0.000 0.000 0.246 267 G HA3 0.458 4.418 3.960 0.000 0.000 0.246 267 G C -1.253 173.720 174.900 0.121 0.000 1.205 267 G CA -0.427 44.749 45.100 0.126 0.000 0.891 267 G HN -0.023 nan 8.290 nan 0.000 0.515 268 T N 0.263 114.862 114.554 0.075 0.000 2.823 268 T HA 0.628 4.978 4.350 0.000 0.000 0.279 268 T C -0.838 173.893 174.700 0.051 0.000 0.998 268 T CA -0.206 61.932 62.100 0.063 0.000 0.994 268 T CB 1.696 70.590 68.868 0.044 0.000 0.960 268 T HN 0.451 nan 8.240 nan 0.000 0.448 269 V N 3.556 123.501 119.914 0.050 0.000 2.588 269 V HA 0.542 4.662 4.120 0.000 0.000 0.304 269 V C -0.090 176.030 176.094 0.043 0.000 1.042 269 V CA -1.002 61.324 62.300 0.043 0.000 0.877 269 V CB 1.952 33.800 31.823 0.041 0.000 0.996 269 V HN 0.728 nan 8.190 nan 0.000 0.425 270 R N 4.207 124.731 120.500 0.039 0.000 2.265 270 R HA 0.591 4.931 4.340 0.000 0.000 0.328 270 R C -1.539 174.785 176.300 0.040 0.000 0.969 270 R CA -0.696 55.427 56.100 0.039 0.000 0.832 270 R CB 1.163 31.482 30.300 0.032 0.000 1.139 270 R HN 0.532 nan 8.270 nan 0.000 0.457 271 L N 7.083 128.337 121.223 0.050 0.000 2.301 271 L HA 0.393 4.733 4.340 0.000 0.000 0.278 271 L C -1.274 175.604 176.870 0.013 0.000 1.022 271 L CA -0.427 54.443 54.840 0.050 0.000 0.854 271 L CB 1.046 43.161 42.059 0.094 0.000 1.226 271 L HN 0.627 nan 8.230 nan 0.000 0.429 272 L N 3.908 125.125 121.223 -0.009 0.000 2.379 272 L HA 0.536 4.876 4.340 0.000 0.000 0.269 272 L C -0.022 176.798 176.870 -0.083 0.000 1.084 272 L CA -0.715 54.096 54.840 -0.050 0.000 0.802 272 L CB 1.314 43.359 42.059 -0.024 0.000 1.175 272 L HN 0.494 nan 8.230 nan 0.000 0.448 273 Q N 0.841 120.554 119.800 -0.145 0.000 2.365 273 Q HA 0.375 4.715 4.340 0.000 0.000 0.269 273 Q C -0.258 175.695 176.000 -0.078 0.000 1.061 273 Q CA -0.542 55.175 55.803 -0.144 0.000 0.816 273 Q CB 2.411 30.962 28.738 -0.312 0.000 1.325 273 Q HN 0.780 nan 8.270 nan 0.000 0.446 274 T N -1.493 113.045 114.554 -0.027 0.000 2.754 274 T HA 0.220 4.570 4.350 0.000 0.000 0.286 274 T C 1.082 175.785 174.700 0.005 0.000 0.997 274 T CA -0.455 61.645 62.100 -0.000 0.000 0.982 274 T CB 1.002 69.887 68.868 0.028 0.000 1.027 274 T HN 0.548 nan 8.240 nan 0.000 0.529 275 R N 0.399 120.915 120.500 0.028 0.000 2.092 275 R HA -0.067 4.274 4.340 0.000 0.000 0.231 275 R C 2.291 178.682 176.300 0.151 0.000 1.119 275 R CA 2.096 58.217 56.100 0.035 0.000 0.970 275 R CB -1.077 29.270 30.300 0.077 0.000 0.864 275 R HN 0.930 nan 8.270 nan 0.000 0.440 276 E N 0.442 120.746 120.200 0.173 0.000 2.058 276 E HA -0.231 4.119 4.350 0.000 0.000 0.194 276 E C 1.499 178.220 176.600 0.202 0.000 0.997 276 E CA 1.632 58.157 56.400 0.209 0.000 0.801 276 E CB -0.072 29.690 29.700 0.103 0.000 0.746 276 E HN 0.551 nan 8.360 nan 0.000 0.450 277 E N -0.510 119.770 120.200 0.132 0.000 2.204 277 E HA -0.125 4.225 4.350 0.000 0.000 0.194 277 E C 2.014 178.700 176.600 0.143 0.000 0.989 277 E CA 1.409 57.896 56.400 0.145 0.000 0.824 277 E CB 0.058 29.811 29.700 0.089 0.000 0.756 277 E HN 0.280 nan 8.360 nan 0.000 0.477 278 T N 0.413 114.999 114.554 0.052 0.000 2.821 278 T HA -0.096 4.254 4.350 0.000 0.000 0.267 278 T C 1.428 176.147 174.700 0.032 0.000 1.046 278 T CA 0.824 62.915 62.100 -0.015 0.000 1.139 278 T CB -0.273 68.504 68.868 -0.152 0.000 0.871 278 T HN 0.137 nan 8.240 nan 0.000 0.454 279 F N 0.821 120.816 119.950 0.074 0.000 2.216 279 F HA 0.053 4.580 4.527 0.000 0.000 0.300 279 F C 2.090 178.010 175.800 0.200 0.000 1.085 279 F CA 0.710 58.773 58.000 0.104 0.000 1.326 279 F CB -0.394 38.609 39.000 0.005 0.000 1.027 279 F HN 0.125 nan 8.300 nan 0.000 0.497 280 I N -0.540 120.262 120.570 0.387 0.000 2.315 280 I HA -0.276 3.894 4.170 0.000 0.000 0.248 280 I C 2.636 179.018 176.117 0.441 0.000 1.117 280 I CA 0.948 62.484 61.300 0.395 0.000 1.404 280 I CB -0.670 37.554 38.000 0.374 0.000 1.071 280 I HN 0.088 nan 8.210 nan 0.000 0.419 281 A N -0.247 122.839 122.820 0.444 0.000 1.883 281 A HA -0.299 4.021 4.320 0.000 0.000 0.217 281 A C 1.477 179.326 177.584 0.443 0.000 1.186 281 A CA 2.279 54.613 52.037 0.494 0.000 0.624 281 A CB -0.583 18.670 19.000 0.421 0.000 0.822 281 A HN 0.663 nan 8.150 nan 0.000 0.444 282 H N -2.254 116.991 119.070 0.293 0.000 1.452 282 H HA -0.315 4.242 4.556 0.000 0.000 0.090 282 H C 0.456 175.998 175.328 0.357 0.000 0.620 282 H CA 2.971 59.201 56.048 0.304 0.000 1.901 282 H CB -0.594 29.334 29.762 0.277 0.000 2.257 282 H HN 0.596 nan 8.280 nan 0.000 0.961 283 R N -1.135 119.319 120.500 -0.077 0.000 3.776 283 R HA -0.072 4.268 4.340 0.000 0.000 0.312 283 R C 0.700 176.955 176.300 -0.075 0.000 1.181 283 R CA 1.383 57.482 56.100 -0.001 0.000 0.836 283 R CB -2.715 27.688 30.300 0.171 0.000 1.324 283 R HN 0.843 nan 8.270 nan 0.000 0.501 284 G N 0.013 108.321 108.800 -0.820 0.000 2.510 284 G HA2 0.429 4.390 3.960 0.000 0.000 0.280 284 G HA3 0.429 4.390 3.960 0.000 0.000 0.280 284 G C -0.344 174.413 174.900 -0.238 0.000 1.386 284 G CA -0.692 44.040 45.100 -0.613 0.000 1.047 284 G HN 0.176 nan 8.290 nan 0.000 0.527 285 R N 1.073 121.503 120.500 -0.116 0.000 2.347 285 R HA 0.228 4.568 4.340 0.000 0.000 0.304 285 R C -2.102 174.287 176.300 0.149 0.000 1.072 285 R CA -1.240 54.867 56.100 0.012 0.000 0.980 285 R CB 0.811 31.097 30.300 -0.024 0.000 0.986 285 R HN 0.266 nan 8.270 nan 0.000 0.448 286 P HA -0.086 nan 4.420 nan 0.000 0.274 286 P C -0.889 176.588 177.300 0.295 0.000 1.231 286 P CA -0.410 62.853 63.100 0.271 0.000 0.790 286 P CB 0.495 32.343 31.700 0.247 0.000 0.951 287 W N 3.297 124.715 121.300 0.195 0.000 2.295 287 W HA 0.161 4.821 4.660 0.000 0.000 0.335 287 W C -0.858 175.786 176.519 0.208 0.000 1.351 287 W CA 1.219 58.687 57.345 0.206 0.000 1.273 287 W CB 0.184 29.756 29.460 0.186 0.000 1.214 287 W HN 0.245 nan 8.180 nan 0.000 0.563 288 T N 6.134 120.395 114.554 -0.487 0.000 2.916 288 T HA 0.179 4.529 4.350 0.000 0.000 0.298 288 T C -1.344 172.950 174.700 -0.677 0.000 1.031 288 T CA -0.805 61.066 62.100 -0.383 0.000 0.993 288 T CB 1.631 70.438 68.868 -0.102 0.000 1.045 288 T HN 0.484 nan 8.240 nan 0.000 0.454 289 E N 2.313 122.224 120.200 -0.481 0.000 2.158 289 E HA 0.589 4.939 4.350 0.000 0.000 0.271 289 E C -1.402 175.253 176.600 0.092 0.000 0.911 289 E CA -0.710 55.559 56.400 -0.218 0.000 0.767 289 E CB 0.966 30.636 29.700 -0.050 0.000 1.120 289 E HN 0.332 nan 8.360 nan 0.000 0.405 290 V N 5.176 125.223 119.914 0.221 0.000 2.444 290 V HA 0.304 4.424 4.120 0.000 0.000 0.294 290 V C -0.308 175.963 176.094 0.294 0.000 1.022 290 V CA -0.848 61.620 62.300 0.279 0.000 0.850 290 V CB 1.503 33.527 31.823 0.335 0.000 0.992 290 V HN 0.630 nan 8.190 nan 0.000 0.426 291 K N 4.554 125.101 120.400 0.246 0.000 2.234 291 K HA 0.666 4.986 4.320 0.000 0.000 0.277 291 K C -0.778 175.960 176.600 0.229 0.000 1.038 291 K CA -0.646 55.766 56.287 0.208 0.000 0.888 291 K CB 1.115 33.713 32.500 0.164 0.000 1.091 291 K HN 0.607 nan 8.250 nan 0.000 0.467 292 M N 4.564 124.309 119.600 0.241 0.000 2.243 292 M HA 0.334 4.814 4.480 0.000 0.000 0.324 292 M C -1.585 174.811 176.300 0.161 0.000 1.031 292 M CA -0.317 55.121 55.300 0.229 0.000 0.949 292 M CB 1.331 34.101 32.600 0.284 0.000 1.615 292 M HN 0.491 nan 8.290 nan 0.000 0.430 293 K N 5.466 125.963 120.400 0.161 0.000 2.507 293 K HA 0.715 5.035 4.320 0.000 0.000 0.252 293 K C -1.947 174.807 176.600 0.256 0.000 0.943 293 K CA -0.356 56.011 56.287 0.134 0.000 0.808 293 K CB 1.145 33.662 32.500 0.028 0.000 1.142 293 K HN 0.840 nan 8.250 nan 0.000 0.426 294 I N 2.392 123.079 120.570 0.195 0.000 2.608 294 I HA 0.469 4.639 4.170 0.000 0.000 0.295 294 I C 0.022 176.290 176.117 0.251 0.000 1.049 294 I CA -1.083 60.324 61.300 0.180 0.000 1.063 294 I CB 2.389 40.333 38.000 -0.095 0.000 1.248 294 I HN 0.747 nan 8.210 nan 0.000 0.424 295 G N 6.002 114.915 108.800 0.188 0.000 2.470 295 G HA2 0.774 4.734 3.960 0.000 0.000 0.320 295 G HA3 0.774 4.734 3.960 0.000 0.000 0.320 295 G C -1.125 173.768 174.900 -0.012 0.000 1.245 295 G CA -0.399 44.780 45.100 0.131 0.000 0.935 295 G HN 0.386 nan 8.290 nan 0.000 0.476 296 L N 1.381 122.605 121.223 0.003 0.000 2.333 296 L HA 0.582 4.922 4.340 0.000 0.000 0.263 296 L C -0.149 176.718 176.870 -0.006 0.000 1.014 296 L CA -1.373 53.453 54.840 -0.022 0.000 0.820 296 L CB 2.318 44.359 42.059 -0.030 0.000 1.352 296 L HN 0.236 nan 8.230 nan 0.000 0.421 297 K N 1.034 121.429 120.400 -0.009 0.000 2.098 297 K HA 0.160 4.480 4.320 0.000 0.000 0.257 297 K C 0.788 177.389 176.600 0.002 0.000 0.999 297 K CA -0.434 55.854 56.287 0.001 0.000 0.924 297 K CB 1.199 33.701 32.500 0.003 0.000 1.028 297 K HN 0.543 nan 8.250 nan 0.000 0.466 298 K N 0.234 120.638 120.400 0.007 0.000 2.280 298 K HA -0.158 4.162 4.320 0.000 0.000 0.202 298 K C 0.491 177.095 176.600 0.005 0.000 1.047 298 K CA 1.806 58.097 56.287 0.007 0.000 0.942 298 K CB -0.002 32.503 32.500 0.009 0.000 0.739 298 K HN 0.473 nan 8.250 nan 0.000 0.457 299 D N -0.274 120.130 120.400 0.005 0.000 2.340 299 D HA 0.063 4.703 4.640 0.000 0.000 0.220 299 D C 1.164 177.465 176.300 0.002 0.000 1.039 299 D CA 0.632 54.635 54.000 0.006 0.000 0.866 299 D CB 0.385 41.189 40.800 0.007 0.000 0.913 299 D HN 0.451 nan 8.370 nan 0.000 0.523 300 G N -0.104 108.693 108.800 -0.004 0.000 2.194 300 G HA2 -0.250 3.710 3.960 0.000 0.000 0.236 300 G HA3 -0.250 3.710 3.960 0.000 0.000 0.236 300 G C 0.235 175.122 174.900 -0.022 0.000 0.987 300 G CA -0.204 44.887 45.100 -0.015 0.000 0.635 300 G HN 0.290 nan 8.290 nan 0.000 0.520 301 K N 0.798 121.193 120.400 -0.008 0.000 2.401 301 K HA 0.358 4.678 4.320 0.000 0.000 0.278 301 K C 0.949 177.539 176.600 -0.017 0.000 1.018 301 K CA -0.232 56.056 56.287 0.000 0.000 0.981 301 K CB 0.780 33.292 32.500 0.019 0.000 0.933 301 K HN 0.405 nan 8.250 nan 0.000 0.477 302 I N 2.225 122.782 120.570 -0.022 0.000 2.556 302 I HA -0.085 4.085 4.170 0.000 0.000 0.284 302 I C 1.322 177.406 176.117 -0.055 0.000 1.114 302 I CA 0.208 61.480 61.300 -0.047 0.000 1.418 302 I CB 1.217 39.194 38.000 -0.039 0.000 1.394 302 I HN 0.682 nan 8.210 nan 0.000 0.552 303 A N 5.302 128.066 122.820 -0.094 0.000 1.973 303 A HA 0.710 5.031 4.320 0.000 0.000 0.210 303 A C 0.792 178.225 177.584 -0.251 0.000 1.200 303 A CA 0.831 52.790 52.037 -0.130 0.000 0.707 303 A CB 0.224 19.156 19.000 -0.113 0.000 0.862 303 A HN 0.797 nan 8.150 nan 0.000 0.461 304 A N -1.623 120.980 122.820 -0.362 0.000 2.586 304 A HA 0.599 4.920 4.320 0.000 0.000 0.291 304 A C -1.960 175.388 177.584 -0.394 0.000 1.062 304 A CA -0.322 51.371 52.037 -0.573 0.000 0.666 304 A CB 0.514 18.714 19.000 -1.333 0.000 1.281 304 A HN 1.207 nan 8.150 nan 0.000 0.421 305 L N 0.340 121.464 121.223 -0.165 0.000 2.431 305 L HA 0.943 5.283 4.340 0.000 0.000 0.266 305 L C -0.489 176.597 176.870 0.359 0.000 0.978 305 L CA 0.122 55.075 54.840 0.188 0.000 0.822 305 L CB 1.868 44.047 42.059 0.200 0.000 1.310 305 L HN 1.813 nan 8.230 nan 0.000 0.409 306 A N 5.780 128.885 122.820 0.476 0.000 2.381 306 A HA 0.821 5.141 4.320 0.000 0.000 0.299 306 A C -1.530 176.223 177.584 0.283 0.000 1.049 306 A CA -0.464 51.796 52.037 0.373 0.000 0.715 306 A CB 1.214 20.415 19.000 0.335 0.000 1.222 306 A HN 1.183 nan 8.150 nan 0.000 0.428 307 L N -0.881 120.506 121.223 0.275 0.000 2.393 307 L HA 0.944 5.284 4.340 0.000 0.000 0.260 307 L C -0.876 176.161 176.870 0.278 0.000 1.002 307 L CA -0.685 54.315 54.840 0.266 0.000 0.818 307 L CB 2.259 44.476 42.059 0.263 0.000 1.369 307 L HN 0.610 nan 8.230 nan 0.000 0.412 308 E N 1.413 121.780 120.200 0.279 0.000 2.234 308 E HA 0.765 5.115 4.350 0.000 0.000 0.266 308 E C -1.214 175.581 176.600 0.326 0.000 0.877 308 E CA -1.026 55.572 56.400 0.330 0.000 0.758 308 E CB 2.489 32.444 29.700 0.425 0.000 1.170 308 E HN 0.849 nan 8.360 nan 0.000 0.415 309 A N 2.210 125.219 122.820 0.315 0.000 2.374 309 A HA 0.626 4.946 4.320 0.000 0.000 0.305 309 A C -0.731 177.070 177.584 0.361 0.000 1.053 309 A CA -0.609 51.593 52.037 0.274 0.000 0.726 309 A CB 1.652 20.776 19.000 0.206 0.000 1.229 309 A HN 0.443 nan 8.150 nan 0.000 0.431 310 T N 2.833 117.585 114.554 0.329 0.000 2.812 310 T HA 0.519 4.869 4.350 0.000 0.000 0.282 310 T C -0.532 174.352 174.700 0.307 0.000 0.990 310 T CA -0.205 62.121 62.100 0.377 0.000 0.960 310 T CB 1.076 70.151 68.868 0.345 0.000 0.948 310 T HN 0.686 nan 8.240 nan 0.000 0.438 311 Q N 1.418 121.398 119.800 0.300 0.000 2.337 311 Q HA 0.679 5.019 4.340 0.000 0.000 0.266 311 Q C -0.741 175.457 176.000 0.330 0.000 1.023 311 Q CA -0.988 54.993 55.803 0.297 0.000 0.829 311 Q CB 2.320 31.182 28.738 0.207 0.000 1.306 311 Q HN 0.765 nan 8.270 nan 0.000 0.449 312 A N 1.416 124.491 122.820 0.424 0.000 2.343 312 A HA 0.484 4.804 4.320 0.000 0.000 0.305 312 A C 0.926 178.657 177.584 0.245 0.000 1.308 312 A CA -0.156 52.063 52.037 0.303 0.000 0.949 312 A CB -0.076 19.098 19.000 0.289 0.000 1.148 312 A HN 0.939 nan 8.150 nan 0.000 0.545 313 G N 1.593 110.500 108.800 0.179 0.000 3.042 313 G HA2 0.488 4.448 3.960 0.000 0.000 0.212 313 G HA3 0.488 4.448 3.960 0.000 0.000 0.212 313 G C 0.918 175.929 174.900 0.184 0.000 1.166 313 G CA 0.686 45.887 45.100 0.168 0.000 0.767 313 G HN 2.014 nan 8.290 nan 0.000 0.546 314 G N -1.001 107.896 108.800 0.161 0.000 2.725 314 G HA2 0.220 4.180 3.960 0.000 0.000 0.220 314 G HA3 0.220 4.180 3.960 0.000 0.000 0.220 314 G C 0.915 175.922 174.900 0.178 0.000 1.357 314 G CA -0.037 45.135 45.100 0.121 0.000 0.866 314 G HN 1.092 nan 8.290 nan 0.000 0.548 315 A N -1.202 121.667 122.820 0.083 0.000 2.178 315 A HA 0.607 4.927 4.320 0.000 0.000 0.211 315 A C 0.644 178.056 177.584 -0.287 0.000 1.157 315 A CA 1.502 53.502 52.037 -0.061 0.000 0.780 315 A CB 0.042 19.013 19.000 -0.048 0.000 0.828 315 A HN 0.994 nan 8.150 nan 0.000 0.476 316 Y N -3.567 116.906 120.300 0.289 0.000 2.605 316 Y HA 0.539 5.089 4.550 0.000 0.000 0.343 316 Y C 1.314 177.374 175.900 0.267 0.000 1.036 316 Y CA -0.471 57.766 58.100 0.228 0.000 1.065 316 Y CB 1.566 40.078 38.460 0.086 0.000 1.288 316 Y HN -0.006 nan 8.280 nan 0.000 0.481 317 A N 1.455 124.447 122.820 0.286 0.000 1.858 317 A HA 0.233 4.553 4.320 0.000 0.000 0.216 317 A C 1.839 179.483 177.584 0.100 0.000 1.190 317 A CA 1.795 53.925 52.037 0.154 0.000 0.617 317 A CB -1.443 17.578 19.000 0.034 0.000 0.827 317 A HN 1.429 nan 8.150 nan 0.000 0.443 318 G N -1.483 107.350 108.800 0.055 0.000 2.652 318 G HA2 -0.391 3.569 3.960 0.000 0.000 0.318 318 G HA3 -0.391 3.569 3.960 0.000 0.000 0.318 318 G C 0.668 175.559 174.900 -0.015 0.000 1.295 318 G CA 1.063 46.176 45.100 0.021 0.000 0.999 318 G HN 0.654 nan 8.290 nan 0.000 0.548 319 Y N 2.577 122.930 120.300 0.089 0.000 2.578 319 Y HA 0.207 4.757 4.550 0.000 0.000 0.297 319 Y C 2.885 178.878 175.900 0.155 0.000 1.176 319 Y CA 1.001 59.182 58.100 0.134 0.000 1.315 319 Y CB -0.193 38.383 38.460 0.194 0.000 1.031 319 Y HN 0.629 nan 8.280 nan 0.000 0.524 320 G N 0.917 109.860 108.800 0.238 0.000 2.547 320 G HA2 -0.329 3.631 3.960 0.000 0.000 0.221 320 G HA3 -0.329 3.631 3.960 0.000 0.000 0.221 320 G C 1.627 176.588 174.900 0.102 0.000 1.140 320 G CA 1.566 46.758 45.100 0.154 0.000 0.760 320 G HN 0.463 nan 8.290 nan 0.000 0.583 321 I N 0.385 120.990 120.570 0.058 0.000 2.226 321 I HA -0.142 4.028 4.170 0.000 0.000 0.245 321 I C 2.677 178.818 176.117 0.040 0.000 1.100 321 I CA 0.809 62.120 61.300 0.019 0.000 1.374 321 I CB -0.154 37.837 38.000 -0.014 0.000 1.057 321 I HN 0.190 nan 8.210 nan 0.000 0.413 322 I N 0.118 120.749 120.570 0.101 0.000 2.252 322 I HA -0.244 3.926 4.170 0.000 0.000 0.245 322 I C 2.491 178.621 176.117 0.022 0.000 1.102 322 I CA 1.474 62.810 61.300 0.061 0.000 1.385 322 I CB -0.572 37.577 38.000 0.249 0.000 1.064 322 I HN 0.242 nan 8.210 nan 0.000 0.414 323 T N 1.059 115.701 114.554 0.146 0.000 2.720 323 T HA -0.191 4.159 4.350 0.000 0.000 0.268 323 T C 1.900 176.665 174.700 0.108 0.000 1.037 323 T CA 1.346 63.518 62.100 0.119 0.000 1.144 323 T CB -0.269 68.783 68.868 0.306 0.000 0.864 323 T HN 0.173 nan 8.240 nan 0.000 0.444 324 I N 0.600 121.224 120.570 0.091 0.000 2.439 324 I HA 0.048 4.218 4.170 0.000 0.000 0.251 324 I C 1.929 178.103 176.117 0.094 0.000 1.139 324 I CA 0.839 62.186 61.300 0.078 0.000 1.438 324 I CB -0.270 37.747 38.000 0.027 0.000 1.085 324 I HN 0.193 nan 8.210 nan 0.000 0.427 325 L N -1.243 120.009 121.223 0.047 0.000 2.093 325 L HA -0.233 4.107 4.340 0.000 0.000 0.208 325 L C 2.225 179.106 176.870 0.019 0.000 1.085 325 L CA 1.419 56.288 54.840 0.049 0.000 0.755 325 L CB -0.753 41.283 42.059 -0.037 0.000 0.904 325 L HN 0.232 nan 8.230 nan 0.000 0.435 326 Y N 0.281 120.541 120.300 -0.066 0.000 2.403 326 Y HA -0.252 4.298 4.550 0.000 0.000 0.291 326 Y C 2.898 178.719 175.900 -0.130 0.000 1.143 326 Y CA 1.265 59.284 58.100 -0.135 0.000 1.257 326 Y CB -0.325 38.024 38.460 -0.185 0.000 0.984 326 Y HN 0.369 nan 8.280 nan 0.000 0.550 327 T N -3.893 110.716 114.554 0.092 0.000 2.929 327 T HA -0.102 4.248 4.350 0.000 0.000 0.271 327 T C 1.874 176.466 174.700 -0.180 0.000 1.085 327 T CA 1.258 63.374 62.100 0.028 0.000 1.125 327 T CB -0.404 68.554 68.868 0.150 0.000 0.874 327 T HN 0.382 nan 8.240 nan 0.000 0.494 328 G N -0.206 108.330 108.800 -0.440 0.000 2.759 328 G HA2 0.503 4.463 3.960 0.000 0.000 0.208 328 G HA3 0.503 4.463 3.960 0.000 0.000 0.208 328 G C 1.659 176.289 174.900 -0.450 0.000 1.076 328 G CA 0.381 44.968 45.100 -0.856 0.000 0.789 328 G HN 0.590 nan 8.290 nan 0.000 0.546 329 A N 0.631 123.207 122.820 -0.407 0.000 1.972 329 A HA 0.149 4.469 4.320 0.000 0.000 0.219 329 A C 1.761 179.072 177.584 -0.455 0.000 1.169 329 A CA 0.928 52.507 52.037 -0.764 0.000 0.635 329 A CB -0.207 18.401 19.000 -0.653 0.000 0.810 329 A HN 0.288 nan 8.150 nan 0.000 0.446 330 L N -0.355 120.732 121.223 -0.227 0.000 2.783 330 L HA 0.243 4.583 4.340 0.000 0.000 0.236 330 L C 1.555 178.363 176.870 -0.104 0.000 1.225 330 L CA 0.227 54.975 54.840 -0.153 0.000 1.026 330 L CB 0.229 42.157 42.059 -0.217 0.000 1.314 330 L HN 0.266 nan 8.230 nan 0.000 0.489 331 M N -1.410 118.055 119.600 -0.226 0.000 2.558 331 M HA 0.101 4.581 4.480 0.000 0.000 0.255 331 M C 0.494 176.522 176.300 -0.454 0.000 1.113 331 M CA 0.633 55.713 55.300 -0.365 0.000 1.097 331 M CB -0.517 31.840 32.600 -0.405 0.000 1.426 331 M HN 0.211 nan 8.290 nan 0.000 0.488 332 H N -0.998 117.905 119.070 -0.278 0.000 2.525 332 H HA 0.430 4.986 4.556 0.000 0.000 0.340 332 H C 1.054 176.262 175.328 -0.199 0.000 1.168 332 H CA 0.463 56.370 56.048 -0.235 0.000 1.247 332 H CB 1.166 30.782 29.762 -0.243 0.000 1.568 332 H HN 0.346 nan 8.280 nan 0.000 0.536 333 G N 0.725 109.478 108.800 -0.079 0.000 2.176 333 G HA2 -0.271 3.689 3.960 0.000 0.000 0.253 333 G HA3 -0.271 3.689 3.960 0.000 0.000 0.253 333 G C 0.495 175.179 174.900 -0.360 0.000 0.979 333 G CA 0.721 45.678 45.100 -0.240 0.000 0.641 333 G HN 0.500 nan 8.290 nan 0.000 0.530 334 L N -1.455 119.456 121.223 -0.520 0.000 2.541 334 L HA 0.649 4.989 4.340 0.000 0.000 0.187 334 L C 0.595 177.076 176.870 -0.649 0.000 1.098 334 L CA 0.379 54.794 54.840 -0.707 0.000 0.846 334 L CB 0.164 41.534 42.059 -1.148 0.000 1.151 334 L HN 0.165 nan 8.230 nan 0.000 0.492 335 Y N -0.791 119.331 120.300 -0.297 0.000 2.528 335 Y HA 0.463 5.013 4.550 0.000 0.000 0.335 335 Y C -0.424 175.336 175.900 -0.233 0.000 1.093 335 Y CA -1.009 56.966 58.100 -0.209 0.000 1.134 335 Y CB 0.597 38.969 38.460 -0.147 0.000 1.253 335 Y HN 0.089 nan 8.280 nan 0.000 0.478 336 H N 2.529 121.564 119.070 -0.058 0.000 2.742 336 H HA 0.514 5.070 4.556 0.000 0.000 0.302 336 H C -1.240 174.104 175.328 0.026 0.000 1.069 336 H CA -0.079 55.929 56.048 -0.068 0.000 1.446 336 H CB 0.013 29.742 29.762 -0.055 0.000 1.462 336 H HN 0.537 nan 8.280 nan 0.000 0.499 337 I N 7.948 128.206 120.570 -0.519 0.000 2.447 337 I HA 0.188 4.358 4.170 0.000 0.000 0.287 337 I C -1.741 174.130 176.117 -0.410 0.000 1.023 337 I CA -2.204 58.890 61.300 -0.344 0.000 1.083 337 I CB 2.410 40.295 38.000 -0.191 0.000 1.245 337 I HN 0.597 nan 8.210 nan 0.000 0.434 338 P HA -0.028 nan 4.420 nan 0.000 0.218 338 P C -0.110 177.156 177.300 -0.057 0.000 1.149 338 P CA 0.723 63.734 63.100 -0.149 0.000 0.817 338 P CB 0.408 32.075 31.700 -0.055 0.000 0.785 339 A N -0.875 121.902 122.820 -0.071 0.000 2.488 339 A HA 0.693 5.013 4.320 0.000 0.000 0.298 339 A C -1.308 176.286 177.584 0.018 0.000 1.044 339 A CA -0.432 51.608 52.037 0.005 0.000 0.693 339 A CB 0.987 19.970 19.000 -0.029 0.000 1.272 339 A HN -0.087 nan 8.150 nan 0.000 0.402 340 I N 1.387 122.053 120.570 0.160 0.000 2.569 340 I HA 0.414 4.584 4.170 0.000 0.000 0.290 340 I C -0.413 175.902 176.117 0.330 0.000 1.088 340 I CA -0.484 60.935 61.300 0.200 0.000 1.047 340 I CB 2.441 40.511 38.000 0.116 0.000 1.237 340 I HN 0.714 nan 8.210 nan 0.000 0.421 341 K N 5.777 126.356 120.400 0.299 0.000 2.244 341 K HA 0.445 4.765 4.320 0.000 0.000 0.260 341 K C -1.295 175.504 176.600 0.332 0.000 0.951 341 K CA -0.545 55.914 56.287 0.288 0.000 0.826 341 K CB 1.331 33.987 32.500 0.261 0.000 1.108 341 K HN 0.686 nan 8.250 nan 0.000 0.433 342 H N 3.800 122.982 119.070 0.188 0.000 2.744 342 H HA 0.299 4.855 4.556 0.000 0.000 0.339 342 H C -1.520 173.824 175.328 0.027 0.000 1.004 342 H CA -0.731 55.398 56.048 0.136 0.000 1.257 342 H CB 1.415 31.294 29.762 0.194 0.000 1.552 342 H HN 0.678 nan 8.280 nan 0.000 0.522 343 D N 3.275 123.502 120.400 -0.289 0.000 2.646 343 D HA 0.560 5.200 4.640 0.000 0.000 0.245 343 D C -1.066 174.689 176.300 -0.908 0.000 1.099 343 D CA -0.365 53.271 54.000 -0.606 0.000 0.849 343 D CB 2.381 43.067 40.800 -0.191 0.000 1.448 343 D HN 0.703 nan 8.370 nan 0.000 0.489 344 A N 1.913 123.913 122.820 -1.366 0.000 2.594 344 A HA 0.700 5.020 4.320 0.000 0.000 0.295 344 A C -1.926 175.073 177.584 -0.974 0.000 1.071 344 A CA -0.854 50.680 52.037 -0.839 0.000 0.685 344 A CB 1.967 20.715 19.000 -0.421 0.000 1.285 344 A HN 0.467 nan 8.150 nan 0.000 0.405 345 W N 1.083 122.352 121.300 -0.052 0.000 2.830 345 W HA 0.507 5.167 4.660 0.000 0.000 0.335 345 W C -0.262 176.261 176.519 0.007 0.000 1.043 345 W CA -0.752 56.578 57.345 -0.025 0.000 1.239 345 W CB 2.091 31.564 29.460 0.022 0.000 1.378 345 W HN 0.802 nan 8.180 nan 0.000 0.456 346 R N 2.273 122.856 120.500 0.139 0.000 2.215 346 R HA 0.556 4.896 4.340 0.000 0.000 0.336 346 R C -1.442 174.869 176.300 0.017 0.000 0.996 346 R CA -0.222 55.921 56.100 0.071 0.000 0.847 346 R CB 0.726 31.021 30.300 -0.008 0.000 1.127 346 R HN 0.208 nan 8.270 nan 0.000 0.465 347 V N 6.134 126.085 119.914 0.062 0.000 2.459 347 V HA 0.363 4.483 4.120 0.000 0.000 0.295 347 V C -0.501 175.625 176.094 0.053 0.000 1.029 347 V CA -0.907 61.423 62.300 0.051 0.000 0.874 347 V CB 1.131 33.026 31.823 0.120 0.000 0.985 347 V HN 0.601 nan 8.190 nan 0.000 0.438 348 Y N 2.918 123.267 120.300 0.083 0.000 2.411 348 Y HA 0.463 5.013 4.550 0.000 0.000 0.333 348 Y C 1.094 177.018 175.900 0.040 0.000 1.186 348 Y CA 0.055 58.191 58.100 0.060 0.000 1.381 348 Y CB 0.962 39.462 38.460 0.067 0.000 1.273 348 Y HN 0.815 nan 8.280 nan 0.000 0.546 349 T N -1.398 113.275 114.554 0.199 0.000 2.896 349 T HA 0.379 4.729 4.350 0.000 0.000 0.297 349 T C -0.552 174.147 174.700 -0.000 0.000 1.108 349 T CA -1.358 60.796 62.100 0.090 0.000 1.004 349 T CB 1.022 69.914 68.868 0.040 0.000 1.159 349 T HN 0.470 nan 8.240 nan 0.000 0.499 350 N N 1.669 120.332 118.700 -0.062 0.000 3.254 350 N HA 0.363 5.103 4.740 0.000 0.000 0.308 350 N C -0.171 175.285 175.510 -0.089 0.000 1.281 350 N CA -0.300 52.683 53.050 -0.111 0.000 1.212 350 N CB 0.177 38.554 38.487 -0.184 0.000 1.478 350 N HN 0.844 nan 8.380 nan 0.000 0.548 351 T N -3.585 110.898 114.554 -0.117 0.000 2.841 351 T HA 0.479 4.829 4.350 0.000 0.000 0.296 351 T C -3.077 171.491 174.700 -0.221 0.000 1.166 351 T CA -2.502 59.429 62.100 -0.282 0.000 1.007 351 T CB 1.814 70.278 68.868 -0.673 0.000 1.253 351 T HN -0.256 nan 8.240 nan 0.000 0.511 352 P HA 0.207 nan 4.420 nan 0.000 0.263 352 P C -2.508 174.755 177.300 -0.061 0.000 1.175 352 P CA -0.548 62.317 63.100 -0.392 0.000 0.761 352 P CB -0.652 31.044 31.700 -0.006 0.000 0.794 353 P HA -0.037 nan 4.420 nan 0.000 0.265 353 P C -0.120 177.336 177.300 0.260 0.000 1.193 353 P CA 0.379 63.570 63.100 0.152 0.000 0.765 353 P CB 0.234 32.053 31.700 0.199 0.000 0.823 354 C N 2.805 122.253 119.300 0.247 0.000 2.470 354 C HA 0.791 5.251 4.460 0.000 0.000 0.350 354 C C 1.411 176.483 174.990 0.137 0.000 1.341 354 C CA 0.696 59.810 59.018 0.161 0.000 2.440 354 C CB 0.495 28.366 27.740 0.217 0.000 2.295 354 C HN 0.806 nan 8.230 nan 0.000 0.645 355 G N -0.569 108.276 108.800 0.076 0.000 2.726 355 G HA2 0.605 4.565 3.960 0.000 0.000 0.198 355 G HA3 0.605 4.565 3.960 0.000 0.000 0.198 355 G C -1.461 173.378 174.900 -0.101 0.000 1.195 355 G CA 0.279 45.456 45.100 0.128 0.000 0.951 355 G HN 1.057 nan 8.290 nan 0.000 0.532 356 A N -0.030 122.561 122.820 -0.380 0.000 2.301 356 A HA 0.754 5.074 4.320 0.000 0.000 0.298 356 A C -0.284 177.189 177.584 -0.186 0.000 1.185 356 A CA -0.023 51.528 52.037 -0.810 0.000 0.830 356 A CB 0.565 18.818 19.000 -1.245 0.000 1.112 356 A HN 0.958 nan 8.150 nan 0.000 0.508 357 M N 2.703 122.205 119.600 -0.162 0.000 2.378 357 M HA 0.426 4.906 4.480 0.000 0.000 0.289 357 M C 0.009 176.255 176.300 -0.090 0.000 1.136 357 M CA -0.600 54.680 55.300 -0.033 0.000 0.917 357 M CB 1.625 34.086 32.600 -0.232 0.000 1.669 357 M HN 0.839 nan 8.290 nan 0.000 0.461 358 R N 2.907 123.393 120.500 -0.024 0.000 3.651 358 R HA -0.102 4.238 4.340 0.000 0.000 0.201 358 R C 0.680 176.797 176.300 -0.306 0.000 0.627 358 R CA 2.293 58.318 56.100 -0.126 0.000 0.952 358 R CB -0.643 29.654 30.300 -0.004 0.000 1.005 358 R HN 1.082 nan 8.270 nan 0.000 0.327 359 G N 2.763 111.179 108.800 -0.640 0.000 2.141 359 G HA2 -0.320 3.640 3.960 0.000 0.000 0.231 359 G HA3 -0.320 3.640 3.960 0.000 0.000 0.231 359 G C 0.063 174.650 174.900 -0.521 0.000 0.984 359 G CA 0.158 44.742 45.100 -0.859 0.000 0.660 359 G HN 1.016 nan 8.290 nan 0.000 0.525 360 H N -0.080 118.693 119.070 -0.495 0.000 2.967 360 H HA 0.010 4.566 4.556 0.000 0.000 0.214 360 H C 1.842 177.012 175.328 -0.264 0.000 0.684 360 H CA 1.248 57.126 56.048 -0.284 0.000 1.492 360 H CB -0.440 29.192 29.762 -0.216 0.000 1.373 360 H HN 1.746 nan 8.280 nan 0.000 0.430 361 G N 3.107 111.926 108.800 0.031 0.000 2.220 361 G HA2 -0.412 3.548 3.960 0.000 0.000 0.269 361 G HA3 -0.412 3.548 3.960 0.000 0.000 0.269 361 G C 1.077 175.949 174.900 -0.048 0.000 0.977 361 G CA 1.182 46.279 45.100 -0.006 0.000 0.634 361 G HN 0.854 nan 8.290 nan 0.000 0.539 362 T N -2.762 111.736 114.554 -0.094 0.000 3.023 362 T HA 0.445 4.795 4.350 0.000 0.000 0.253 362 T C 2.114 176.740 174.700 -0.124 0.000 1.038 362 T CA 1.264 63.319 62.100 -0.075 0.000 0.962 362 T CB 0.498 69.364 68.868 -0.002 0.000 1.018 362 T HN 0.353 nan 8.240 nan 0.000 0.521 363 V N 2.476 122.285 119.914 -0.176 0.000 2.307 363 V HA -0.099 4.021 4.120 0.000 0.000 0.245 363 V C 2.464 178.321 176.094 -0.396 0.000 1.045 363 V CA 2.120 64.279 62.300 -0.235 0.000 1.024 363 V CB -0.496 31.189 31.823 -0.230 0.000 0.651 363 V HN 0.442 nan 8.190 nan 0.000 0.449 364 D N 0.286 120.348 120.400 -0.563 0.000 2.123 364 D HA -0.115 4.525 4.640 0.000 0.000 0.200 364 D C 2.383 178.209 176.300 -0.789 0.000 0.976 364 D CA 1.923 55.230 54.000 -1.155 0.000 0.831 364 D CB -0.513 39.505 40.800 -1.305 0.000 0.974 364 D HN 0.615 nan 8.370 nan 0.000 0.469 365 T N -0.912 113.419 114.554 -0.372 0.000 2.904 365 T HA -0.113 4.237 4.350 0.000 0.000 0.267 365 T C 1.985 176.629 174.700 -0.094 0.000 1.059 365 T CA 0.847 62.853 62.100 -0.157 0.000 1.137 365 T CB 0.029 68.859 68.868 -0.063 0.000 0.879 365 T HN -0.087 nan 8.240 nan 0.000 0.467 366 R N 2.495 122.921 120.500 -0.124 0.000 2.081 366 R HA 0.211 4.551 4.340 0.000 0.000 0.235 366 R C 2.545 178.827 176.300 -0.031 0.000 1.131 366 R CA 1.781 57.858 56.100 -0.038 0.000 0.960 366 R CB -1.326 28.952 30.300 -0.037 0.000 0.856 366 R HN 0.446 nan 8.270 nan 0.000 0.436 367 A N 0.383 123.108 122.820 -0.159 0.000 1.883 367 A HA -0.059 4.261 4.320 0.000 0.000 0.217 367 A C 2.419 179.894 177.584 -0.181 0.000 1.186 367 A CA 2.018 53.961 52.037 -0.156 0.000 0.624 367 A CB -1.171 17.681 19.000 -0.246 0.000 0.822 367 A HN 0.515 nan 8.150 nan 0.000 0.444 368 A N -1.349 121.351 122.820 -0.201 0.000 1.902 368 A HA -0.033 4.287 4.320 0.000 0.000 0.217 368 A C 2.084 179.494 177.584 -0.289 0.000 1.181 368 A CA 1.559 53.289 52.037 -0.512 0.000 0.623 368 A CB -0.735 18.174 19.000 -0.153 0.000 0.818 368 A HN 0.670 nan 8.150 nan 0.000 0.443 369 F N 0.893 120.747 119.950 -0.160 0.000 2.095 369 F HA -0.182 4.345 4.527 0.000 0.000 0.298 369 F C 2.366 178.118 175.800 -0.080 0.000 1.104 369 F CA 2.175 60.131 58.000 -0.073 0.000 1.232 369 F CB -0.010 38.974 39.000 -0.027 0.000 0.987 369 F HN 0.213 nan 8.300 nan 0.000 0.475 370 E N 0.582 120.883 120.200 0.168 0.000 2.077 370 E HA -0.196 4.154 4.350 0.000 0.000 0.193 370 E C 2.401 178.968 176.600 -0.055 0.000 0.989 370 E CA 1.165 57.628 56.400 0.105 0.000 0.800 370 E CB -0.854 28.924 29.700 0.129 0.000 0.746 370 E HN 0.516 nan 8.360 nan 0.000 0.452 371 A N 1.253 123.984 122.820 -0.149 0.000 1.873 371 A HA -0.146 4.174 4.320 0.000 0.000 0.215 371 A C 2.256 179.792 177.584 -0.080 0.000 1.186 371 A CA 1.214 53.148 52.037 -0.172 0.000 0.616 371 A CB -0.606 18.114 19.000 -0.466 0.000 0.823 371 A HN 0.229 nan 8.150 nan 0.000 0.442 372 L N -0.756 120.405 121.223 -0.103 0.000 2.093 372 L HA -0.081 4.260 4.340 0.000 0.000 0.208 372 L C 2.236 179.006 176.870 -0.166 0.000 1.085 372 L CA 1.819 56.628 54.840 -0.051 0.000 0.755 372 L CB -0.606 41.440 42.059 -0.022 0.000 0.904 372 L HN 0.373 nan 8.230 nan 0.000 0.435 373 L N -1.025 120.007 121.223 -0.319 0.000 2.012 373 L HA -0.215 4.125 4.340 0.000 0.000 0.210 373 L C 2.303 179.084 176.870 -0.149 0.000 1.073 373 L CA 2.485 57.129 54.840 -0.327 0.000 0.748 373 L CB -1.085 40.712 42.059 -0.436 0.000 0.891 373 L HN 0.309 nan 8.230 nan 0.000 0.431 374 T N -0.807 113.699 114.554 -0.080 0.000 2.708 374 T HA -0.224 4.126 4.350 0.000 0.000 0.266 374 T C 1.746 176.441 174.700 -0.008 0.000 1.037 374 T CA 1.584 63.682 62.100 -0.003 0.000 1.146 374 T CB -0.185 68.719 68.868 0.061 0.000 0.865 374 T HN 0.527 nan 8.240 nan 0.000 0.435 375 E N 0.517 120.700 120.200 -0.027 0.000 2.077 375 E HA -0.123 4.227 4.350 0.000 0.000 0.193 375 E C 2.156 178.727 176.600 -0.048 0.000 0.989 375 E CA 1.064 57.430 56.400 -0.056 0.000 0.800 375 E CB -0.144 29.528 29.700 -0.046 0.000 0.746 375 E HN 0.479 nan 8.360 nan 0.000 0.452 376 M N -0.196 119.373 119.600 -0.052 0.000 2.175 376 M HA -0.026 4.454 4.480 0.000 0.000 0.264 376 M C 2.363 178.644 176.300 -0.031 0.000 1.063 376 M CA 1.315 56.588 55.300 -0.045 0.000 1.119 376 M CB -0.194 32.368 32.600 -0.063 0.000 1.377 376 M HN 0.249 nan 8.290 nan 0.000 0.415 377 G N 0.499 109.281 108.800 -0.031 0.000 2.440 377 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 377 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 377 G C 1.277 176.186 174.900 0.016 0.000 1.154 377 G CA 1.294 46.390 45.100 -0.007 0.000 0.767 377 G HN 0.584 nan 8.290 nan 0.000 0.552 378 E N 0.383 120.596 120.200 0.022 0.000 2.085 378 E HA -0.199 4.151 4.350 0.000 0.000 0.194 378 E C 2.198 178.815 176.600 0.028 0.000 0.994 378 E CA 1.520 57.945 56.400 0.041 0.000 0.801 378 E CB -0.314 29.412 29.700 0.044 0.000 0.743 378 E HN 0.605 nan 8.360 nan 0.000 0.453 379 E N -0.025 120.181 120.200 0.009 0.000 2.153 379 E HA -0.149 4.201 4.350 0.000 0.000 0.194 379 E C 1.853 178.460 176.600 0.012 0.000 0.988 379 E CA 0.933 57.339 56.400 0.009 0.000 0.811 379 E CB 0.009 29.708 29.700 -0.002 0.000 0.746 379 E HN 0.402 nan 8.360 nan 0.000 0.466 380 L N -0.665 120.564 121.223 0.010 0.000 2.591 380 L HA 0.170 4.510 4.340 0.000 0.000 0.228 380 L C 1.284 178.165 176.870 0.018 0.000 1.133 380 L CA 0.370 55.217 54.840 0.011 0.000 0.880 380 L CB 0.116 42.178 42.059 0.005 0.000 1.033 380 L HN 0.321 nan 8.230 nan 0.000 0.450 381 G N 1.383 110.198 108.800 0.025 0.000 2.176 381 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 381 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 381 G C 0.037 174.959 174.900 0.036 0.000 1.024 381 G CA -0.055 45.064 45.100 0.031 0.000 0.755 381 G HN 0.328 nan 8.290 nan 0.000 0.507 382 I N 0.504 121.097 120.570 0.038 0.000 2.378 382 I HA 0.265 4.435 4.170 0.000 0.000 0.291 382 I C 0.396 176.555 176.117 0.070 0.000 0.992 382 I CA -0.942 60.385 61.300 0.044 0.000 1.154 382 I CB 1.491 39.507 38.000 0.026 0.000 1.315 382 I HN 0.188 nan 8.210 nan 0.000 0.448 383 D N 3.563 124.022 120.400 0.098 0.000 2.506 383 D HA -0.066 4.574 4.640 0.000 0.000 0.234 383 D C 1.345 177.741 176.300 0.160 0.000 1.143 383 D CA 0.330 54.431 54.000 0.168 0.000 0.871 383 D CB 1.097 42.024 40.800 0.211 0.000 1.190 383 D HN 0.599 nan 8.370 nan 0.000 0.459 384 S N 2.974 118.815 115.700 0.236 0.000 2.419 384 S HA -0.199 4.271 4.470 0.000 0.000 0.233 384 S C 1.918 176.531 174.600 0.022 0.000 1.016 384 S CA 0.402 58.695 58.200 0.154 0.000 0.974 384 S CB -0.308 63.036 63.200 0.239 0.000 0.786 384 S HN 0.622 nan 8.310 nan 0.000 0.492 385 L N 0.638 121.823 121.223 -0.064 0.000 2.131 385 L HA 0.136 4.476 4.340 0.000 0.000 0.206 385 L C 2.546 179.346 176.870 -0.117 0.000 1.087 385 L CA 1.288 55.953 54.840 -0.290 0.000 0.767 385 L CB -0.256 41.372 42.059 -0.719 0.000 0.917 385 L HN 0.202 nan 8.230 nan 0.000 0.441 386 K N 0.528 120.911 120.400 -0.027 0.000 2.057 386 K HA -0.202 4.118 4.320 0.000 0.000 0.207 386 K C 1.915 178.515 176.600 0.001 0.000 1.049 386 K CA 1.756 58.042 56.287 -0.002 0.000 0.931 386 K CB -0.498 32.023 32.500 0.036 0.000 0.714 386 K HN 0.393 nan 8.250 nan 0.000 0.440 387 I N 0.205 120.777 120.570 0.004 0.000 2.567 387 I HA -0.260 3.910 4.170 0.000 0.000 0.257 387 I C 1.753 177.861 176.117 -0.014 0.000 1.184 387 I CA 1.111 62.404 61.300 -0.012 0.000 1.451 387 I CB 0.062 38.046 38.000 -0.025 0.000 1.089 387 I HN 0.183 nan 8.210 nan 0.000 0.441 388 R N -0.174 120.335 120.500 0.015 0.000 2.075 388 R HA -0.086 4.254 4.340 0.000 0.000 0.226 388 R C 2.230 178.597 176.300 0.112 0.000 1.114 388 R CA 1.083 57.254 56.100 0.118 0.000 0.972 388 R CB -0.251 30.138 30.300 0.148 0.000 0.869 388 R HN 0.453 nan 8.270 nan 0.000 0.437 389 Q N 0.560 120.378 119.800 0.030 0.000 2.124 389 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 389 Q C 2.082 178.103 176.000 0.035 0.000 0.977 389 Q CA 1.303 57.115 55.803 0.016 0.000 0.850 389 Q CB -0.107 28.621 28.738 -0.015 0.000 0.901 389 Q HN 0.366 nan 8.270 nan 0.000 0.429 390 I N 1.102 121.689 120.570 0.029 0.000 2.335 390 I HA -0.249 3.922 4.170 0.000 0.000 0.251 390 I C 1.276 177.421 176.117 0.046 0.000 1.129 390 I CA 0.820 62.136 61.300 0.026 0.000 1.402 390 I CB -0.121 37.887 38.000 0.012 0.000 1.069 390 I HN 0.220 nan 8.210 nan 0.000 0.424 391 N N 0.424 119.172 118.700 0.081 0.000 2.235 391 N HA 0.209 4.949 4.740 0.000 0.000 0.209 391 N C 0.259 175.902 175.510 0.223 0.000 1.122 391 N CA 0.068 53.198 53.050 0.134 0.000 0.845 391 N CB 0.381 38.897 38.487 0.049 0.000 1.004 391 N HN 0.297 nan 8.380 nan 0.000 0.499 392 M N 0.696 120.383 119.600 0.145 0.000 2.232 392 M HA 0.129 4.609 4.480 0.000 0.000 0.321 392 M C 0.558 176.815 176.300 -0.071 0.000 1.101 392 M CA -0.051 55.305 55.300 0.093 0.000 1.181 392 M CB 0.870 33.543 32.600 0.122 0.000 1.432 392 M HN -0.141 nan 8.290 nan 0.000 0.457 393 L N 3.812 124.827 121.223 -0.347 0.000 2.540 393 L HA -0.027 4.313 4.340 0.000 0.000 0.276 393 L C -1.037 175.606 176.870 -0.379 0.000 1.212 393 L CA -0.995 53.444 54.840 -0.668 0.000 0.893 393 L CB -0.188 41.086 42.059 -1.307 0.000 1.138 393 L HN 0.556 nan 8.230 nan 0.000 0.491 394 P HA -0.105 nan 4.420 nan 0.000 0.222 394 P C -0.149 177.101 177.300 -0.083 0.000 1.153 394 P CA 1.148 64.169 63.100 -0.132 0.000 0.798 394 P CB 0.392 32.006 31.700 -0.142 0.000 0.796 395 Q N -0.698 119.068 119.800 -0.057 0.000 2.522 395 Q HA 0.441 4.781 4.340 0.000 0.000 0.285 395 Q C -1.705 174.294 176.000 -0.001 0.000 0.982 395 Q CA -0.886 54.906 55.803 -0.018 0.000 0.805 395 Q CB 1.443 30.187 28.738 0.009 0.000 1.457 395 Q HN -0.127 nan 8.270 nan 0.000 0.394 396 I N 1.731 122.304 120.570 0.006 0.000 2.533 396 I HA 0.418 4.588 4.170 0.000 0.000 0.290 396 I C -2.202 173.948 176.117 0.055 0.000 1.056 396 I CA -1.840 59.481 61.300 0.036 0.000 1.057 396 I CB 1.143 39.164 38.000 0.034 0.000 1.240 396 I HN 0.569 nan 8.210 nan 0.000 0.423 397 P HA 0.195 nan 4.420 nan 0.000 0.269 397 P C -1.409 175.953 177.300 0.104 0.000 1.215 397 P CA 0.129 63.287 63.100 0.096 0.000 0.780 397 P CB 0.416 32.161 31.700 0.076 0.000 0.898 398 Y N 1.055 121.341 120.300 -0.022 0.000 2.346 398 Y HA 0.454 5.004 4.550 0.000 0.000 0.332 398 Y C -1.161 174.733 175.900 -0.010 0.000 0.985 398 Y CA -0.886 57.186 58.100 -0.047 0.000 1.112 398 Y CB 1.482 39.871 38.460 -0.118 0.000 1.170 398 Y HN 0.074 nan 8.280 nan 0.000 0.447 399 V N 6.131 125.810 119.914 -0.393 0.000 2.370 399 V HA 0.301 4.421 4.120 0.000 0.000 0.279 399 V C 0.321 176.210 176.094 -0.341 0.000 1.029 399 V CA -0.463 61.694 62.300 -0.238 0.000 0.870 399 V CB 1.280 32.984 31.823 -0.198 0.000 0.984 399 V HN 0.904 nan 8.190 nan 0.000 0.451 400 T N 2.458 116.983 114.554 -0.047 0.000 2.788 400 T HA 0.280 4.630 4.350 0.000 0.000 0.287 400 T C 1.186 175.868 174.700 -0.030 0.000 1.007 400 T CA -0.374 61.763 62.100 0.061 0.000 1.005 400 T CB 0.677 69.647 68.868 0.169 0.000 1.012 400 T HN 0.470 nan 8.240 nan 0.000 0.530 401 M N -0.028 119.585 119.600 0.023 0.000 2.460 401 M HA 0.029 4.509 4.480 0.000 0.000 0.263 401 M C 1.460 177.662 176.300 -0.164 0.000 1.071 401 M CA 1.237 56.541 55.300 0.008 0.000 1.096 401 M CB -0.409 32.284 32.600 0.155 0.000 1.408 401 M HN 0.810 nan 8.290 nan 0.000 0.463 402 Y N 0.381 120.277 120.300 -0.673 0.000 2.490 402 Y HA 0.254 4.804 4.550 0.000 0.000 0.281 402 Y C 1.197 176.931 175.900 -0.276 0.000 1.174 402 Y CA 0.526 58.191 58.100 -0.725 0.000 1.295 402 Y CB 0.214 37.919 38.460 -1.258 0.000 1.062 402 Y HN 0.314 nan 8.280 nan 0.000 0.522 403 A N -0.028 122.726 122.820 -0.109 0.000 3.141 403 A HA -0.260 4.060 4.320 0.000 0.000 0.242 403 A C 0.292 177.863 177.584 -0.022 0.000 1.313 403 A CA 0.783 52.767 52.037 -0.088 0.000 1.060 403 A CB -2.316 16.601 19.000 -0.138 0.000 1.153 403 A HN 0.557 nan 8.150 nan 0.000 0.847 404 Q N -0.442 119.404 119.800 0.077 0.000 2.299 404 Q HA 0.558 4.898 4.340 0.000 0.000 0.246 404 Q C 0.332 176.418 176.000 0.144 0.000 0.935 404 Q CA -0.007 55.899 55.803 0.172 0.000 0.887 404 Q CB 0.634 29.580 28.738 0.347 0.000 1.223 404 Q HN 0.538 nan 8.270 nan 0.000 0.439 405 R N 1.402 121.990 120.500 0.146 0.000 2.275 405 R HA 0.330 4.670 4.340 0.000 0.000 0.326 405 R C -1.183 175.308 176.300 0.317 0.000 0.973 405 R CA -0.519 55.643 56.100 0.103 0.000 0.854 405 R CB 0.918 31.084 30.300 -0.222 0.000 1.156 405 R HN 0.312 nan 8.270 nan 0.000 0.487 406 V N 5.289 125.404 119.914 0.336 0.000 2.389 406 V HA 0.091 4.211 4.120 0.000 0.000 0.264 406 V C 0.954 177.238 176.094 0.316 0.000 1.049 406 V CA -0.038 62.506 62.300 0.407 0.000 0.932 406 V CB 1.167 33.204 31.823 0.357 0.000 1.011 406 V HN 0.769 nan 8.190 nan 0.000 0.475 407 M N 2.898 122.703 119.600 0.342 0.000 2.382 407 M HA 0.225 4.705 4.480 0.000 0.000 0.247 407 M C 0.512 176.957 176.300 0.241 0.000 1.104 407 M CA 0.297 55.761 55.300 0.274 0.000 1.030 407 M CB 0.083 32.864 32.600 0.301 0.000 1.424 407 M HN 0.738 nan 8.290 nan 0.000 0.486 408 S N -0.481 115.397 115.700 0.296 0.000 2.533 408 S HA 0.635 5.105 4.470 0.000 0.000 0.271 408 S C -1.487 173.352 174.600 0.398 0.000 1.143 408 S CA -0.723 57.644 58.200 0.278 0.000 0.891 408 S CB 2.336 65.677 63.200 0.235 0.000 1.105 408 S HN 0.252 nan 8.310 nan 0.000 0.468 409 Y N 1.080 121.436 120.300 0.092 0.000 2.294 409 Y HA 0.559 5.109 4.550 0.000 0.000 0.329 409 Y C 0.387 176.206 175.900 -0.135 0.000 1.135 409 Y CA -0.330 57.719 58.100 -0.085 0.000 1.213 409 Y CB 1.179 39.527 38.460 -0.187 0.000 1.141 409 Y HN 1.000 nan 8.280 nan 0.000 0.446 410 G N 2.691 111.319 108.800 -0.285 0.000 3.284 410 G HA2 0.086 4.046 3.960 0.000 0.000 0.236 410 G HA3 0.086 4.046 3.960 0.000 0.000 0.236 410 G C 0.946 175.601 174.900 -0.408 0.000 1.158 410 G CA 0.553 45.513 45.100 -0.234 0.000 0.774 410 G HN 0.572 nan 8.290 nan 0.000 0.545 411 V N 1.709 121.085 119.914 -0.896 0.000 2.324 411 V HA -0.144 3.976 4.120 0.000 0.000 0.250 411 V C 0.436 176.294 176.094 -0.392 0.000 1.060 411 V CA 2.192 64.048 62.300 -0.740 0.000 1.042 411 V CB -0.885 30.229 31.823 -1.182 0.000 0.650 411 V HN 0.264 nan 8.190 nan 0.000 0.450 412 P HA -0.191 nan 4.420 nan 0.000 0.215 412 P C 1.697 178.928 177.300 -0.115 0.000 1.153 412 P CA 1.636 64.649 63.100 -0.144 0.000 0.853 412 P CB 0.047 31.706 31.700 -0.068 0.000 0.788 413 E N -1.039 119.095 120.200 -0.109 0.000 2.106 413 E HA -0.161 4.189 4.350 0.000 0.000 0.192 413 E C 1.630 178.188 176.600 -0.071 0.000 0.984 413 E CA 1.030 57.388 56.400 -0.070 0.000 0.806 413 E CB -0.394 29.278 29.700 -0.047 0.000 0.750 413 E HN 0.120 nan 8.360 nan 0.000 0.458 414 C N 0.566 119.807 119.300 -0.098 0.000 2.413 414 C HA -0.134 4.326 4.460 0.000 0.000 0.276 414 C C 2.603 177.545 174.990 -0.079 0.000 1.236 414 C CA 0.562 59.536 59.018 -0.073 0.000 1.735 414 C CB -1.008 26.679 27.740 -0.088 0.000 2.031 414 C HN 0.478 nan 8.230 nan 0.000 0.474 415 L N 0.401 121.555 121.223 -0.115 0.000 2.056 415 L HA -0.124 4.217 4.340 0.000 0.000 0.207 415 L C 2.816 179.615 176.870 -0.119 0.000 1.078 415 L CA 1.310 56.071 54.840 -0.131 0.000 0.749 415 L CB -0.695 41.279 42.059 -0.141 0.000 0.901 415 L HN 0.351 nan 8.230 nan 0.000 0.433 416 E N 0.196 120.343 120.200 -0.088 0.000 2.106 416 E HA -0.171 4.179 4.350 0.000 0.000 0.192 416 E C 2.180 178.750 176.600 -0.051 0.000 0.984 416 E CA 0.917 57.277 56.400 -0.066 0.000 0.806 416 E CB -0.028 29.644 29.700 -0.046 0.000 0.750 416 E HN 0.354 nan 8.360 nan 0.000 0.458 417 K N 0.602 120.980 120.400 -0.038 0.000 2.057 417 K HA -0.070 4.250 4.320 0.000 0.000 0.206 417 K C 2.339 178.933 176.600 -0.010 0.000 1.050 417 K CA 1.211 57.491 56.287 -0.012 0.000 0.935 417 K CB -0.589 31.916 32.500 0.008 0.000 0.715 417 K HN 0.202 nan 8.250 nan 0.000 0.439 418 V N -0.481 119.420 119.914 -0.020 0.000 2.719 418 V HA -0.060 4.060 4.120 0.000 0.000 0.252 418 V C 2.370 178.410 176.094 -0.090 0.000 1.065 418 V CA 1.371 63.664 62.300 -0.012 0.000 1.086 418 V CB -0.515 31.323 31.823 0.026 0.000 0.700 418 V HN 0.163 nan 8.190 nan 0.000 0.467 419 K N 1.234 121.564 120.400 -0.116 0.000 2.026 419 K HA -0.103 4.217 4.320 0.000 0.000 0.208 419 K C 2.195 178.769 176.600 -0.044 0.000 1.048 419 K CA 1.774 57.997 56.287 -0.106 0.000 0.929 419 K CB -0.448 31.975 32.500 -0.128 0.000 0.713 419 K HN 0.549 nan 8.250 nan 0.000 0.439 420 A N 0.974 123.763 122.820 -0.052 0.000 1.872 420 A HA 0.000 4.320 4.320 0.000 0.000 0.214 420 A C 2.330 179.857 177.584 -0.095 0.000 1.187 420 A CA 1.585 53.595 52.037 -0.046 0.000 0.614 420 A CB -0.759 18.227 19.000 -0.023 0.000 0.826 420 A HN 0.470 nan 8.150 nan 0.000 0.442 421 A N 0.333 123.086 122.820 -0.112 0.000 1.933 421 A HA -0.090 4.230 4.320 0.000 0.000 0.218 421 A C 2.397 179.631 177.584 -0.584 0.000 1.175 421 A CA 2.285 54.226 52.037 -0.159 0.000 0.628 421 A CB -0.803 18.223 19.000 0.044 0.000 0.814 421 A HN 1.016 nan 8.150 nan 0.000 0.444 422 S N -1.818 113.387 115.700 -0.825 0.000 2.558 422 S HA 0.360 4.831 4.470 0.000 0.000 0.217 422 S C 1.363 175.594 174.600 -0.615 0.000 0.975 422 S CA 0.995 58.375 58.200 -1.367 0.000 0.912 422 S CB -0.455 62.160 63.200 -0.975 0.000 0.776 422 S HN 1.942 nan 8.310 nan 0.000 0.526 423 G N 1.280 109.904 108.800 -0.293 0.000 2.221 423 G HA2 -0.279 3.681 3.960 0.000 0.000 0.265 423 G HA3 -0.279 3.681 3.960 0.000 0.000 0.265 423 G C 0.429 175.286 174.900 -0.071 0.000 1.041 423 G CA 0.252 45.268 45.100 -0.139 0.000 0.807 423 G HN 0.555 nan 8.290 nan 0.000 0.502 424 W N 0.170 121.345 121.300 -0.207 0.000 2.317 424 W HA -0.184 4.476 4.660 0.000 0.000 0.318 424 W C 1.916 178.383 176.519 -0.086 0.000 1.227 424 W CA 2.192 59.453 57.345 -0.139 0.000 1.269 424 W CB -0.296 29.095 29.460 -0.117 0.000 1.155 424 W HN 0.598 nan 8.180 nan 0.000 0.484 425 E N -0.136 120.166 120.200 0.171 0.000 2.085 425 E HA -0.248 4.102 4.350 0.000 0.000 0.194 425 E C 1.952 178.525 176.600 -0.046 0.000 0.994 425 E CA 1.610 58.058 56.400 0.079 0.000 0.801 425 E CB -0.149 29.609 29.700 0.097 0.000 0.743 425 E HN 0.090 nan 8.360 nan 0.000 0.453 426 E N -0.219 119.948 120.200 -0.056 0.000 2.299 426 E HA -0.037 4.313 4.350 0.000 0.000 0.193 426 E C 1.846 178.376 176.600 -0.116 0.000 0.998 426 E CA 0.580 56.936 56.400 -0.072 0.000 0.851 426 E CB 0.214 29.884 29.700 -0.051 0.000 0.795 426 E HN 0.280 nan 8.360 nan 0.000 0.492 427 R N 0.135 120.530 120.500 -0.175 0.000 2.287 427 R HA 0.095 4.436 4.340 0.000 0.000 0.197 427 R C 0.764 176.880 176.300 -0.307 0.000 0.900 427 R CA -0.274 55.704 56.100 -0.203 0.000 1.052 427 R CB 0.246 30.443 30.300 -0.171 0.000 1.117 427 R HN -0.197 nan 8.270 nan 0.000 0.568 428 K N 1.213 121.297 120.400 -0.528 0.000 2.453 428 K HA 0.004 4.324 4.320 0.000 0.000 0.280 428 K C 0.716 177.077 176.600 -0.398 0.000 1.045 428 K CA 1.191 57.049 56.287 -0.715 0.000 1.059 428 K CB 0.162 31.798 32.500 -1.440 0.000 0.901 428 K HN 0.347 nan 8.250 nan 0.000 0.475 429 G N 3.943 112.567 108.800 -0.293 0.000 2.179 429 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 429 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 429 G C 0.080 174.896 174.900 -0.139 0.000 0.977 429 G CA 0.708 45.701 45.100 -0.178 0.000 0.641 429 G HN 0.620 nan 8.290 nan 0.000 0.533 430 K N -0.164 120.147 120.400 -0.149 0.000 2.972 430 K HA 0.497 4.817 4.320 0.000 0.000 0.209 430 K C 0.374 176.917 176.600 -0.096 0.000 1.128 430 K CA -0.348 55.874 56.287 -0.109 0.000 1.024 430 K CB 0.746 33.184 32.500 -0.103 0.000 0.754 430 K HN 0.308 nan 8.250 nan 0.000 0.454 431 L N 1.950 123.115 121.223 -0.097 0.000 2.358 431 L HA 0.484 4.824 4.340 0.000 0.000 0.268 431 L C -1.746 175.088 176.870 -0.060 0.000 1.032 431 L CA -2.200 52.596 54.840 -0.074 0.000 0.805 431 L CB 0.387 42.404 42.059 -0.071 0.000 1.253 431 L HN 0.047 nan 8.230 nan 0.000 0.452 432 P HA 0.016 nan 4.420 nan 0.000 0.270 432 P C -0.947 176.328 177.300 -0.041 0.000 1.223 432 P CA -0.497 62.579 63.100 -0.040 0.000 0.785 432 P CB 0.554 32.234 31.700 -0.033 0.000 0.923 433 K N 0.373 120.749 120.400 -0.039 0.000 2.484 433 K HA 0.197 4.517 4.320 0.000 0.000 0.280 433 K C 1.083 177.664 176.600 -0.031 0.000 1.013 433 K CA 1.000 57.262 56.287 -0.042 0.000 1.029 433 K CB -0.692 31.786 32.500 -0.038 0.000 0.902 433 K HN 0.793 nan 8.250 nan 0.000 0.481 434 G N 3.312 112.090 108.800 -0.036 0.000 2.175 434 G HA2 -0.249 3.711 3.960 0.000 0.000 0.244 434 G HA3 -0.249 3.711 3.960 0.000 0.000 0.244 434 G C -0.140 174.762 174.900 0.003 0.000 0.982 434 G CA 0.047 45.136 45.100 -0.017 0.000 0.641 434 G HN 0.624 nan 8.290 nan 0.000 0.527 435 R N -0.204 120.292 120.500 -0.006 0.000 2.803 435 R HA 0.685 5.025 4.340 0.000 0.000 0.276 435 R C 0.147 176.446 176.300 -0.002 0.000 0.978 435 R CA -0.080 56.032 56.100 0.020 0.000 0.939 435 R CB 2.053 32.360 30.300 0.011 0.000 1.179 435 R HN 0.509 nan 8.270 nan 0.000 0.472 436 G N 1.152 109.969 108.800 0.029 0.000 2.684 436 G HA2 0.608 4.568 3.960 0.000 0.000 0.290 436 G HA3 0.608 4.568 3.960 0.000 0.000 0.290 436 G C -1.720 173.207 174.900 0.045 0.000 1.425 436 G CA -0.630 44.472 45.100 0.005 0.000 0.822 436 G HN 0.296 nan 8.290 nan 0.000 0.482 437 L N -0.075 121.153 121.223 0.008 0.000 2.381 437 L HA 0.831 5.171 4.340 0.000 0.000 0.268 437 L C 0.382 177.356 176.870 0.173 0.000 0.997 437 L CA -0.759 54.127 54.840 0.076 0.000 0.818 437 L CB 2.612 44.611 42.059 -0.101 0.000 1.310 437 L HN 0.843 nan 8.230 nan 0.000 0.416 438 G N 1.853 110.850 108.800 0.328 0.000 2.612 438 G HA2 0.708 4.668 3.960 0.000 0.000 0.298 438 G HA3 0.708 4.668 3.960 0.000 0.000 0.298 438 G C -2.166 172.957 174.900 0.373 0.000 1.336 438 G CA -0.390 44.931 45.100 0.368 0.000 0.953 438 G HN 0.361 nan 8.290 nan 0.000 0.482 439 I N 0.330 121.048 120.570 0.246 0.000 2.689 439 I HA 0.917 5.087 4.170 0.000 0.000 0.299 439 I C -0.290 175.843 176.117 0.027 0.000 1.059 439 I CA -0.819 60.487 61.300 0.010 0.000 1.055 439 I CB 2.043 39.800 38.000 -0.405 0.000 1.243 439 I HN 1.074 nan 8.210 nan 0.000 0.425 440 A N 6.589 129.419 122.820 0.017 0.000 2.612 440 A HA 0.794 5.114 4.320 0.000 0.000 0.293 440 A C -2.065 175.546 177.584 0.045 0.000 1.075 440 A CA -0.599 51.469 52.037 0.052 0.000 0.680 440 A CB 1.080 20.120 19.000 0.067 0.000 1.279 440 A HN 0.685 nan 8.150 nan 0.000 0.411 441 L N 1.138 122.403 121.223 0.069 0.000 2.322 441 L HA 0.844 5.184 4.340 0.000 0.000 0.269 441 L C 0.313 177.202 176.870 0.033 0.000 1.012 441 L CA -0.470 54.382 54.840 0.020 0.000 0.815 441 L CB 2.293 44.318 42.059 -0.057 0.000 1.295 441 L HN 1.037 nan 8.230 nan 0.000 0.438 442 S N -0.491 115.232 115.700 0.038 0.000 2.588 442 S HA 0.762 5.232 4.470 0.000 0.000 0.269 442 S C -1.494 173.208 174.600 0.170 0.000 1.157 442 S CA -0.900 57.355 58.200 0.092 0.000 0.824 442 S CB 2.193 65.444 63.200 0.085 0.000 1.126 442 S HN 0.824 nan 8.310 nan 0.000 0.464 443 H N -0.388 118.674 119.070 -0.014 0.000 3.017 443 H HA 0.833 5.389 4.556 0.000 0.000 0.346 443 H C -2.184 173.211 175.328 0.113 0.000 1.286 443 H CA -1.332 54.683 56.048 -0.055 0.000 1.120 443 H CB 0.823 30.405 29.762 -0.300 0.000 1.860 443 H HN 0.711 nan 8.280 nan 0.000 0.542 444 F N 0.788 120.659 119.950 -0.132 0.000 2.686 444 F HA 0.470 4.997 4.527 0.000 0.000 0.311 444 F C -0.673 175.058 175.800 -0.116 0.000 1.128 444 F CA -0.395 57.505 58.000 -0.166 0.000 0.946 444 F CB 1.704 40.618 39.000 -0.142 0.000 1.336 444 F HN 0.614 nan 8.300 nan 0.000 0.457 445 V N 0.895 120.258 119.914 -0.919 0.000 3.003 445 V HA 0.439 4.559 4.120 0.000 0.000 0.305 445 V C -0.023 175.859 176.094 -0.352 0.000 1.078 445 V CA -0.335 61.514 62.300 -0.751 0.000 1.083 445 V CB 0.989 32.360 31.823 -0.754 0.000 1.039 445 V HN 0.726 nan 8.190 nan 0.000 0.481 446 S N 2.622 118.092 115.700 -0.384 0.000 2.979 446 S HA 0.652 5.122 4.470 0.000 0.000 0.210 446 S C 0.494 174.945 174.600 -0.249 0.000 1.364 446 S CA 0.348 58.424 58.200 -0.208 0.000 1.208 446 S CB -0.610 62.484 63.200 -0.176 0.000 1.167 446 S HN 1.970 nan 8.310 nan 0.000 0.519 447 G N 1.195 109.882 108.800 -0.188 0.000 2.907 447 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 447 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 447 G C -0.455 174.349 174.900 -0.160 0.000 1.115 447 G CA -1.201 43.801 45.100 -0.162 0.000 0.760 447 G HN 0.253 nan 8.290 nan 0.000 0.620 448 T N 2.096 116.630 114.554 -0.034 0.000 2.834 448 T HA 0.414 4.764 4.350 0.000 0.000 0.298 448 T C 1.907 176.580 174.700 -0.045 0.000 0.966 448 T CA 0.563 62.669 62.100 0.010 0.000 1.141 448 T CB 1.017 69.995 68.868 0.184 0.000 0.905 448 T HN 1.582 nan 8.240 nan 0.000 0.535 449 S N 1.906 117.557 115.700 -0.082 0.000 2.603 449 S HA -0.004 4.466 4.470 0.000 0.000 0.229 449 S C 0.778 175.296 174.600 -0.136 0.000 0.972 449 S CA -0.127 58.020 58.200 -0.089 0.000 0.935 449 S CB -0.103 63.077 63.200 -0.033 0.000 0.769 449 S HN 0.600 nan 8.310 nan 0.000 0.536 450 T N 4.072 118.572 114.554 -0.090 0.000 2.792 450 T HA 0.560 4.910 4.350 0.000 0.000 0.280 450 T C -2.829 171.888 174.700 0.028 0.000 0.990 450 T CA -1.365 60.680 62.100 -0.092 0.000 0.960 450 T CB 1.720 70.565 68.868 -0.040 0.000 0.939 450 T HN 0.071 nan 8.240 nan 0.000 0.439 451 P HA 0.311 nan 4.420 nan 0.000 0.274 451 P C 0.706 178.223 177.300 0.362 0.000 1.237 451 P CA -0.590 62.649 63.100 0.232 0.000 0.793 451 P CB 0.930 32.770 31.700 0.234 0.000 0.977 452 K N -0.120 120.429 120.400 0.248 0.000 2.148 452 K HA -0.081 4.239 4.320 0.000 0.000 0.204 452 K C 0.033 176.408 176.600 -0.375 0.000 1.050 452 K CA 1.145 57.369 56.287 -0.105 0.000 0.942 452 K CB -0.295 31.963 32.500 -0.404 0.000 0.724 452 K HN 0.614 nan 8.250 nan 0.000 0.446 453 H N -1.032 118.143 119.070 0.175 0.000 2.504 453 H HA 0.124 4.680 4.556 0.000 0.000 0.322 453 H C -0.930 174.611 175.328 0.355 0.000 1.055 453 H CA -0.754 55.358 56.048 0.107 0.000 1.231 453 H CB 0.526 30.373 29.762 0.143 0.000 1.417 453 H HN 0.053 nan 8.280 nan 0.000 0.472 454 W N 3.681 125.060 121.300 0.132 0.000 1.864 454 W HA 0.143 4.803 4.660 0.000 0.000 0.425 454 W C 0.577 177.161 176.519 0.108 0.000 0.791 454 W CA -0.829 56.578 57.345 0.103 0.000 1.650 454 W CB -0.837 28.656 29.460 0.055 0.000 1.791 454 W HN 0.657 nan 8.180 nan 0.000 0.266 455 T N -2.663 112.091 114.554 0.335 0.000 3.086 455 T HA 0.265 4.615 4.350 0.000 0.000 0.250 455 T C 1.630 176.424 174.700 0.157 0.000 1.074 455 T CA 0.404 62.635 62.100 0.219 0.000 0.988 455 T CB 0.298 69.288 68.868 0.205 0.000 0.988 455 T HN 0.559 nan 8.240 nan 0.000 0.530 456 G N 1.296 110.192 108.800 0.159 0.000 2.153 456 G HA2 -0.249 3.711 3.960 0.000 0.000 0.252 456 G HA3 -0.249 3.711 3.960 0.000 0.000 0.252 456 G C -0.212 174.724 174.900 0.060 0.000 0.994 456 G CA 0.283 45.436 45.100 0.089 0.000 0.698 456 G HN 0.662 nan 8.290 nan 0.000 0.521 457 E N 0.870 121.125 120.200 0.092 0.000 2.314 457 E HA 0.457 4.807 4.350 0.000 0.000 0.262 457 E C -1.834 174.789 176.600 0.038 0.000 1.093 457 E CA -1.729 54.703 56.400 0.053 0.000 0.908 457 E CB 0.871 30.604 29.700 0.055 0.000 1.091 457 E HN 0.193 nan 8.360 nan 0.000 0.425 458 P HA -0.037 nan 4.420 nan 0.000 0.270 458 P C -0.331 177.007 177.300 0.064 0.000 1.223 458 P CA 0.401 63.454 63.100 -0.078 0.000 0.785 458 P CB 0.449 32.116 31.700 -0.055 0.000 0.923 459 H N -0.504 118.552 119.070 -0.023 0.000 2.548 459 H HA 0.327 4.883 4.556 0.000 0.000 0.268 459 H C 0.533 175.893 175.328 0.053 0.000 0.975 459 H CA -0.047 56.016 56.048 0.025 0.000 1.195 459 H CB 0.434 30.210 29.762 0.022 0.000 1.397 459 H HN 0.483 nan 8.280 nan 0.000 0.572 460 A N 0.397 123.314 122.820 0.162 0.000 2.594 460 A HA 0.521 4.841 4.320 0.000 0.000 0.296 460 A C -0.930 176.693 177.584 0.064 0.000 1.061 460 A CA -0.657 51.444 52.037 0.106 0.000 0.689 460 A CB 1.620 20.704 19.000 0.140 0.000 1.280 460 A HN 0.055 nan 8.150 nan 0.000 0.406 461 T N 1.030 115.601 114.554 0.027 0.000 2.991 461 T HA 0.601 4.951 4.350 0.000 0.000 0.303 461 T C -1.175 173.527 174.700 0.003 0.000 1.015 461 T CA -0.405 61.702 62.100 0.011 0.000 1.007 461 T CB 1.501 70.364 68.868 -0.008 0.000 1.034 461 T HN 0.863 nan 8.240 nan 0.000 0.446 462 V N 3.669 123.586 119.914 0.005 0.000 2.656 462 V HA 0.513 4.633 4.120 0.000 0.000 0.307 462 V C -0.453 175.641 176.094 -0.000 0.000 1.051 462 V CA -0.971 61.328 62.300 -0.001 0.000 0.893 462 V CB 2.161 33.983 31.823 -0.001 0.000 0.999 462 V HN 0.862 nan 8.190 nan 0.000 0.426 463 N N 3.577 122.275 118.700 -0.003 0.000 2.370 463 N HA 0.798 5.539 4.740 0.000 0.000 0.303 463 N C -1.419 174.092 175.510 0.003 0.000 1.103 463 N CA -0.721 52.330 53.050 0.001 0.000 0.848 463 N CB 2.033 40.520 38.487 -0.001 0.000 1.235 463 N HN 0.472 nan 8.380 nan 0.000 0.496 464 L N 1.299 122.528 121.223 0.009 0.000 2.381 464 L HA 0.553 4.893 4.340 0.000 0.000 0.268 464 L C -0.441 176.439 176.870 0.017 0.000 0.997 464 L CA -0.848 54.000 54.840 0.014 0.000 0.818 464 L CB 1.868 43.942 42.059 0.025 0.000 1.310 464 L HN 0.370 nan 8.230 nan 0.000 0.416 465 K N 3.260 123.670 120.400 0.016 0.000 2.397 465 K HA 0.630 4.950 4.320 0.000 0.000 0.253 465 K C -2.113 174.499 176.600 0.021 0.000 0.932 465 K CA -0.624 55.673 56.287 0.016 0.000 0.795 465 K CB 2.389 34.895 32.500 0.010 0.000 1.159 465 K HN 0.460 nan 8.250 nan 0.000 0.424 466 L N 3.502 124.739 121.223 0.024 0.000 2.439 466 L HA 0.518 4.858 4.340 0.000 0.000 0.270 466 L C -1.083 175.791 176.870 0.007 0.000 0.972 466 L CA -0.193 54.663 54.840 0.026 0.000 0.836 466 L CB 1.664 43.762 42.059 0.064 0.000 1.255 466 L HN 0.716 nan 8.230 nan 0.000 0.404 467 D N 2.106 122.489 120.400 -0.028 0.000 2.689 467 D HA 0.259 4.899 4.640 0.000 0.000 0.255 467 D C 0.998 177.237 176.300 -0.102 0.000 1.113 467 D CA -0.118 53.873 54.000 -0.015 0.000 1.115 467 D CB 1.243 42.054 40.800 0.019 0.000 1.334 467 D HN 0.424 nan 8.370 nan 0.000 0.621 468 F N 0.573 120.523 119.950 0.001 0.000 2.236 468 F HA -0.126 4.401 4.527 0.000 0.000 0.302 468 F C 1.554 177.362 175.800 0.012 0.000 1.073 468 F CA 1.598 59.595 58.000 -0.005 0.000 1.336 468 F CB -0.584 38.411 39.000 -0.008 0.000 1.040 468 F HN 0.191 nan 8.300 nan 0.000 0.507 469 D N -0.425 119.138 120.400 -1.396 0.000 2.312 469 D HA 0.006 4.646 4.640 0.000 0.000 0.211 469 D C 2.047 178.164 176.300 -0.305 0.000 0.964 469 D CA 1.097 54.562 54.000 -0.890 0.000 0.877 469 D CB -0.410 39.844 40.800 -0.910 0.000 0.924 469 D HN 0.558 nan 8.370 nan 0.000 0.515 470 G N 0.299 108.989 108.800 -0.182 0.000 2.195 470 G HA2 -0.196 3.764 3.960 0.000 0.000 0.246 470 G HA3 -0.196 3.764 3.960 0.000 0.000 0.246 470 G C 0.620 175.562 174.900 0.069 0.000 0.984 470 G CA 0.168 45.301 45.100 0.056 0.000 0.633 470 G HN 0.773 nan 8.290 nan 0.000 0.525 471 G N -0.083 108.687 108.800 -0.049 0.000 2.390 471 G HA2 0.572 4.532 3.960 0.000 0.000 0.270 471 G HA3 0.572 4.532 3.960 0.000 0.000 0.270 471 G C -0.053 174.838 174.900 -0.016 0.000 1.211 471 G CA -0.478 44.595 45.100 -0.044 0.000 0.842 471 G HN 0.598 nan 8.290 nan 0.000 0.519 472 I N 1.463 122.027 120.570 -0.011 0.000 2.336 472 I HA 0.220 4.390 4.170 0.000 0.000 0.292 472 I C 0.186 176.296 176.117 -0.012 0.000 0.991 472 I CA -0.316 60.989 61.300 0.009 0.000 1.227 472 I CB 1.874 39.884 38.000 0.017 0.000 1.366 472 I HN 0.260 nan 8.210 nan 0.000 0.466 473 T N 7.458 122.008 114.554 -0.007 0.000 2.767 473 T HA 0.432 4.782 4.350 0.000 0.000 0.284 473 T C -0.400 174.294 174.700 -0.010 0.000 0.973 473 T CA -0.363 61.729 62.100 -0.014 0.000 0.996 473 T CB 1.122 69.982 68.868 -0.013 0.000 0.927 473 T HN 0.341 nan 8.240 nan 0.000 0.456 474 L N 4.993 126.206 121.223 -0.017 0.000 2.287 474 L HA 0.611 4.951 4.340 0.000 0.000 0.287 474 L C -1.486 175.371 176.870 -0.022 0.000 1.022 474 L CA -0.888 53.943 54.840 -0.016 0.000 0.814 474 L CB 0.518 42.565 42.059 -0.020 0.000 1.217 474 L HN 0.534 nan 8.230 nan 0.000 0.420 475 L N 4.981 126.194 121.223 -0.018 0.000 2.313 475 L HA 0.630 4.970 4.340 0.000 0.000 0.283 475 L C -0.012 176.844 176.870 -0.023 0.000 1.013 475 L CA -0.004 54.823 54.840 -0.022 0.000 0.816 475 L CB 1.884 43.935 42.059 -0.015 0.000 1.236 475 L HN 0.542 nan 8.230 nan 0.000 0.419 476 T N 0.910 115.445 114.554 -0.031 0.000 2.933 476 T HA 0.485 4.835 4.350 0.000 0.000 0.305 476 T C 0.836 175.513 174.700 -0.037 0.000 1.092 476 T CA -0.165 61.916 62.100 -0.032 0.000 1.008 476 T CB 1.592 70.438 68.868 -0.036 0.000 1.102 476 T HN 0.661 nan 8.240 nan 0.000 0.469 477 G N 1.953 110.732 108.800 -0.034 0.000 2.920 477 G HA2 0.438 4.398 3.960 0.000 0.000 0.208 477 G HA3 0.438 4.398 3.960 0.000 0.000 0.208 477 G C 0.716 175.593 174.900 -0.038 0.000 1.159 477 G CA 0.308 45.389 45.100 -0.032 0.000 0.784 477 G HN 1.067 nan 8.290 nan 0.000 0.535 478 A N 0.322 123.116 122.820 -0.044 0.000 2.498 478 A HA 0.607 4.927 4.320 0.000 0.000 0.239 478 A C 0.694 178.239 177.584 -0.065 0.000 1.068 478 A CA 0.409 52.416 52.037 -0.050 0.000 0.766 478 A CB 0.351 19.322 19.000 -0.048 0.000 1.003 478 A HN 0.891 nan 8.150 nan 0.000 0.497 479 A N 2.735 125.517 122.820 -0.065 0.000 2.279 479 A HA 0.464 4.784 4.320 0.000 0.000 0.306 479 A C -0.055 177.475 177.584 -0.091 0.000 1.300 479 A CA -0.436 51.553 52.037 -0.081 0.000 0.925 479 A CB 0.053 19.012 19.000 -0.068 0.000 1.152 479 A HN 0.805 nan 8.150 nan 0.000 0.544 480 D N 3.175 123.506 120.400 -0.115 0.000 2.316 480 D HA 0.250 4.890 4.640 0.000 0.000 0.245 480 D C 0.697 176.935 176.300 -0.104 0.000 1.171 480 D CA -0.128 53.808 54.000 -0.107 0.000 0.856 480 D CB 0.683 41.406 40.800 -0.130 0.000 1.090 480 D HN 0.559 nan 8.370 nan 0.000 0.476 481 I N 0.765 121.282 120.570 -0.088 0.000 3.927 481 I HA 0.457 4.627 4.170 0.000 0.000 0.332 481 I C 0.989 177.064 176.117 -0.071 0.000 1.485 481 I CA -0.409 60.833 61.300 -0.097 0.000 1.131 481 I CB 0.415 38.321 38.000 -0.156 0.000 1.092 481 I HN 0.502 nan 8.210 nan 0.000 0.410 482 G N 2.482 111.271 108.800 -0.019 0.000 2.201 482 G HA2 -0.279 3.681 3.960 0.000 0.000 0.212 482 G HA3 -0.279 3.681 3.960 0.000 0.000 0.212 482 G C 1.051 175.959 174.900 0.012 0.000 0.994 482 G CA 0.372 45.488 45.100 0.025 0.000 0.644 482 G HN 0.538 nan 8.290 nan 0.000 0.508 483 Q N 1.287 121.078 119.800 -0.016 0.000 2.331 483 Q HA 0.336 4.676 4.340 0.000 0.000 0.203 483 Q C 1.640 177.639 176.000 -0.003 0.000 0.944 483 Q CA 1.813 57.614 55.803 -0.003 0.000 0.892 483 Q CB -0.140 28.590 28.738 -0.014 0.000 0.983 483 Q HN 1.934 nan 8.270 nan 0.000 0.482 484 G N 1.173 109.965 108.800 -0.013 0.000 2.141 484 G HA2 -0.283 3.677 3.960 0.000 0.000 0.164 484 G HA3 -0.283 3.677 3.960 0.000 0.000 0.164 484 G C 0.788 175.671 174.900 -0.029 0.000 1.009 484 G CA 0.683 45.774 45.100 -0.016 0.000 0.677 484 G HN 0.542 nan 8.290 nan 0.000 0.508 485 S N 0.225 115.902 115.700 -0.039 0.000 2.399 485 S HA -0.145 4.325 4.470 0.000 0.000 0.231 485 S C 1.982 176.552 174.600 -0.049 0.000 1.022 485 S CA 1.575 59.749 58.200 -0.044 0.000 0.983 485 S CB -0.215 62.955 63.200 -0.051 0.000 0.803 485 S HN 0.395 nan 8.310 nan 0.000 0.480 486 N N 1.626 120.291 118.700 -0.059 0.000 2.188 486 N HA -0.025 4.715 4.740 0.000 0.000 0.184 486 N C 1.727 177.209 175.510 -0.047 0.000 1.018 486 N CA 1.735 54.748 53.050 -0.062 0.000 0.858 486 N CB -1.000 37.438 38.487 -0.082 0.000 0.989 486 N HN 0.530 nan 8.380 nan 0.000 0.426 487 T N 1.762 116.292 114.554 -0.039 0.000 2.770 487 T HA -0.047 4.304 4.350 0.000 0.000 0.263 487 T C 1.883 176.560 174.700 -0.038 0.000 1.039 487 T CA 0.648 62.727 62.100 -0.035 0.000 1.142 487 T CB -0.122 68.730 68.868 -0.027 0.000 0.868 487 T HN 0.139 nan 8.240 nan 0.000 0.435 488 M N 2.029 121.608 119.600 -0.035 0.000 2.082 488 M HA -0.096 4.384 4.480 0.000 0.000 0.258 488 M C 2.443 178.724 176.300 -0.032 0.000 1.069 488 M CA 2.196 57.476 55.300 -0.034 0.000 1.102 488 M CB -1.098 31.485 32.600 -0.030 0.000 1.336 488 M HN 0.264 nan 8.290 nan 0.000 0.404 489 A N -0.515 122.286 122.820 -0.033 0.000 1.933 489 A HA -0.123 4.197 4.320 0.000 0.000 0.218 489 A C 2.249 179.818 177.584 -0.025 0.000 1.175 489 A CA 2.217 54.238 52.037 -0.028 0.000 0.628 489 A CB -0.922 18.059 19.000 -0.032 0.000 0.814 489 A HN 0.659 nan 8.150 nan 0.000 0.444 490 S N -0.336 115.344 115.700 -0.034 0.000 2.368 490 S HA -0.192 4.278 4.470 0.000 0.000 0.224 490 S C 2.103 176.676 174.600 -0.045 0.000 1.029 490 S CA 1.431 59.608 58.200 -0.039 0.000 0.988 490 S CB -0.334 62.839 63.200 -0.045 0.000 0.838 490 S HN 0.689 nan 8.310 nan 0.000 0.462 491 Q N 0.482 120.251 119.800 -0.053 0.000 2.050 491 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 491 Q C 2.553 178.505 176.000 -0.080 0.000 0.980 491 Q CA 1.874 57.629 55.803 -0.079 0.000 0.840 491 Q CB -0.525 28.160 28.738 -0.089 0.000 0.898 491 Q HN 0.657 nan 8.270 nan 0.000 0.424 492 V N -2.380 117.521 119.914 -0.022 0.000 2.548 492 V HA -0.061 4.059 4.120 0.000 0.000 0.249 492 V C 2.071 178.231 176.094 0.109 0.000 1.055 492 V CA 1.577 63.929 62.300 0.086 0.000 1.065 492 V CB -1.022 30.918 31.823 0.195 0.000 0.681 492 V HN 0.263 nan 8.190 nan 0.000 0.462 493 A N 0.735 123.580 122.820 0.041 0.000 1.929 493 A HA 0.205 4.525 4.320 0.000 0.000 0.216 493 A C 2.469 180.063 177.584 0.017 0.000 1.176 493 A CA 1.960 54.019 52.037 0.037 0.000 0.628 493 A CB -0.964 18.044 19.000 0.013 0.000 0.816 493 A HN 0.908 nan 8.150 nan 0.000 0.444 494 A N -0.244 122.562 122.820 -0.025 0.000 1.930 494 A HA -0.116 4.204 4.320 0.000 0.000 0.217 494 A C 1.945 179.493 177.584 -0.060 0.000 1.175 494 A CA 2.057 54.059 52.037 -0.058 0.000 0.627 494 A CB -0.435 18.513 19.000 -0.086 0.000 0.815 494 A HN 0.518 nan 8.150 nan 0.000 0.443 495 E N 0.050 120.205 120.200 -0.074 0.000 2.051 495 E HA -0.132 4.218 4.350 0.000 0.000 0.192 495 E C 1.835 178.447 176.600 0.020 0.000 0.991 495 E CA 1.669 58.004 56.400 -0.108 0.000 0.799 495 E CB -0.446 29.050 29.700 -0.340 0.000 0.748 495 E HN 0.238 nan 8.360 nan 0.000 0.449 496 V N 0.467 120.457 119.914 0.128 0.000 2.343 496 V HA -0.236 3.884 4.120 0.000 0.000 0.247 496 V C 2.360 178.488 176.094 0.057 0.000 1.051 496 V CA 1.778 64.160 62.300 0.135 0.000 1.036 496 V CB -0.431 31.467 31.823 0.126 0.000 0.654 496 V HN 0.302 nan 8.190 nan 0.000 0.451 497 L N 0.132 121.381 121.223 0.043 0.000 2.478 497 L HA 0.223 4.563 4.340 0.000 0.000 0.223 497 L C 1.730 178.598 176.870 -0.003 0.000 1.140 497 L CA 0.919 55.791 54.840 0.053 0.000 0.842 497 L CB -0.516 41.595 42.059 0.087 0.000 0.953 497 L HN 0.560 nan 8.230 nan 0.000 0.452 498 G N 0.672 109.444 108.800 -0.047 0.000 2.176 498 G HA2 -0.236 3.724 3.960 0.000 0.000 0.252 498 G HA3 -0.236 3.724 3.960 0.000 0.000 0.252 498 G C 0.195 175.032 174.900 -0.104 0.000 1.024 498 G CA 0.306 45.356 45.100 -0.083 0.000 0.755 498 G HN 0.286 nan 8.290 nan 0.000 0.507 499 V N -3.763 116.070 119.914 -0.135 0.000 3.096 499 V HA 0.889 5.009 4.120 0.000 0.000 0.319 499 V C 0.717 176.711 176.094 -0.168 0.000 1.103 499 V CA -1.784 60.385 62.300 -0.218 0.000 1.016 499 V CB 1.284 32.872 31.823 -0.391 0.000 1.090 499 V HN 0.343 nan 8.190 nan 0.000 0.449 500 R N 0.428 120.824 120.500 -0.174 0.000 2.582 500 R HA 0.334 4.674 4.340 0.000 0.000 0.271 500 R C 0.941 177.168 176.300 -0.121 0.000 1.078 500 R CA -0.462 55.562 56.100 -0.126 0.000 1.127 500 R CB 0.558 30.793 30.300 -0.108 0.000 1.038 500 R HN 0.758 nan 8.270 nan 0.000 0.500 501 L N 2.186 123.351 121.223 -0.096 0.000 2.079 501 L HA -0.228 4.112 4.340 0.000 0.000 0.210 501 L C 1.999 178.822 176.870 -0.077 0.000 1.081 501 L CA 2.127 56.917 54.840 -0.083 0.000 0.752 501 L CB -0.475 41.542 42.059 -0.070 0.000 0.896 501 L HN 0.847 nan 8.230 nan 0.000 0.433 502 S N -1.285 114.370 115.700 -0.075 0.000 2.465 502 S HA -0.254 4.216 4.470 0.000 0.000 0.241 502 S C 2.095 176.648 174.600 -0.078 0.000 1.000 502 S CA 1.068 59.229 58.200 -0.066 0.000 0.964 502 S CB -0.722 62.443 63.200 -0.059 0.000 0.763 502 S HN 0.573 nan 8.310 nan 0.000 0.512 503 R N 0.353 120.789 120.500 -0.108 0.000 2.299 503 R HA 0.202 4.542 4.340 0.000 0.000 0.197 503 R C -0.339 175.903 176.300 -0.096 0.000 0.971 503 R CA 0.219 56.243 56.100 -0.126 0.000 1.030 503 R CB 0.059 30.224 30.300 -0.224 0.000 0.932 503 R HN 0.330 nan 8.270 nan 0.000 0.477 504 I N 1.766 122.289 120.570 -0.079 0.000 2.336 504 I HA 0.267 4.437 4.170 0.000 0.000 0.292 504 I C -0.122 175.967 176.117 -0.046 0.000 0.991 504 I CA -0.541 60.725 61.300 -0.057 0.000 1.227 504 I CB 1.337 39.305 38.000 -0.053 0.000 1.366 504 I HN 0.062 nan 8.210 nan 0.000 0.466 505 R N 5.731 126.208 120.500 -0.039 0.000 2.338 505 R HA 0.637 4.978 4.340 0.000 0.000 0.317 505 R C -1.553 174.726 176.300 -0.036 0.000 0.968 505 R CA -0.453 55.626 56.100 -0.035 0.000 0.849 505 R CB 1.572 31.853 30.300 -0.031 0.000 1.128 505 R HN 0.426 nan 8.270 nan 0.000 0.448 506 V N 6.419 126.308 119.914 -0.042 0.000 2.394 506 V HA 0.362 4.482 4.120 0.000 0.000 0.282 506 V C 0.056 176.115 176.094 -0.058 0.000 1.031 506 V CA -0.741 61.529 62.300 -0.049 0.000 0.881 506 V CB 1.533 33.321 31.823 -0.058 0.000 0.982 506 V HN 0.635 nan 8.190 nan 0.000 0.451 507 I N 4.868 125.406 120.570 -0.053 0.000 2.362 507 I HA 0.536 4.706 4.170 0.000 0.000 0.289 507 I C 0.225 176.303 176.117 -0.065 0.000 0.994 507 I CA 0.077 61.343 61.300 -0.057 0.000 1.158 507 I CB 1.600 39.576 38.000 -0.039 0.000 1.315 507 I HN 0.773 nan 8.210 nan 0.000 0.451 508 S N 3.636 119.282 115.700 -0.089 0.000 2.549 508 S HA 0.795 5.265 4.470 0.000 0.000 0.280 508 S C 0.109 174.655 174.600 -0.089 0.000 1.109 508 S CA -0.316 57.831 58.200 -0.089 0.000 0.905 508 S CB 2.206 65.338 63.200 -0.113 0.000 1.081 508 S HN 1.315 nan 8.310 nan 0.000 0.477 509 A N 0.693 123.475 122.820 -0.064 0.000 2.519 509 A HA -0.011 4.309 4.320 0.000 0.000 0.297 509 A C -0.103 177.458 177.584 -0.038 0.000 1.472 509 A CA 0.980 52.988 52.037 -0.049 0.000 0.739 509 A CB -2.106 16.853 19.000 -0.069 0.000 1.096 509 A HN 1.038 nan 8.150 nan 0.000 0.414 510 D N -0.117 120.270 120.400 -0.021 0.000 2.476 510 D HA 0.460 5.100 4.640 0.000 0.000 0.251 510 D C 1.163 177.472 176.300 0.016 0.000 1.291 510 D CA 0.287 54.281 54.000 -0.011 0.000 0.939 510 D CB 1.160 41.948 40.800 -0.021 0.000 1.221 510 D HN 0.585 nan 8.370 nan 0.000 0.567 511 S N 2.402 118.130 115.700 0.047 0.000 2.440 511 S HA -0.164 4.306 4.470 0.000 0.000 0.238 511 S C 1.795 176.441 174.600 0.076 0.000 1.010 511 S CA 0.989 59.248 58.200 0.099 0.000 0.972 511 S CB -0.104 63.229 63.200 0.221 0.000 0.774 511 S HN 0.427 nan 8.310 nan 0.000 0.501 512 A N 0.664 123.511 122.820 0.045 0.000 2.119 512 A HA 0.444 4.764 4.320 0.000 0.000 0.216 512 A C 2.020 179.617 177.584 0.021 0.000 1.152 512 A CA 0.705 52.763 52.037 0.034 0.000 0.708 512 A CB -0.307 18.705 19.000 0.019 0.000 0.805 512 A HN 0.577 nan 8.150 nan 0.000 0.460 513 L N -1.389 119.842 121.223 0.014 0.000 2.730 513 L HA 0.146 4.486 4.340 0.000 0.000 0.236 513 L C 0.832 177.702 176.870 0.000 0.000 1.061 513 L CA 0.679 55.522 54.840 0.004 0.000 0.898 513 L CB 0.286 42.343 42.059 -0.004 0.000 1.270 513 L HN 0.344 nan 8.230 nan 0.000 0.500 514 T N -1.321 113.232 114.554 -0.000 0.000 2.895 514 T HA 0.516 4.866 4.350 0.000 0.000 0.283 514 T C -2.638 172.057 174.700 -0.008 0.000 1.014 514 T CA -2.073 60.022 62.100 -0.008 0.000 1.037 514 T CB 1.593 70.451 68.868 -0.018 0.000 1.006 514 T HN -0.175 nan 8.240 nan 0.000 0.468 515 P HA 0.113 nan 4.420 nan 0.000 0.269 515 P C -0.220 177.055 177.300 -0.042 0.000 1.209 515 P CA -0.542 62.543 63.100 -0.025 0.000 0.776 515 P CB 0.609 32.295 31.700 -0.023 0.000 0.876 516 K N 2.420 122.778 120.400 -0.071 0.000 2.489 516 K HA 0.003 4.323 4.320 0.000 0.000 0.278 516 K C -0.614 175.895 176.600 -0.152 0.000 1.000 516 K CA 0.501 56.706 56.287 -0.136 0.000 1.012 516 K CB -0.089 32.255 32.500 -0.259 0.000 0.903 516 K HN 0.496 nan 8.250 nan 0.000 0.485 517 D N 1.990 122.307 120.400 -0.137 0.000 2.457 517 D HA 0.253 4.893 4.640 0.000 0.000 0.240 517 D C 0.508 176.749 176.300 -0.099 0.000 1.041 517 D CA -0.610 53.332 54.000 -0.096 0.000 0.861 517 D CB 0.994 41.767 40.800 -0.045 0.000 1.394 517 D HN 0.393 nan 8.370 nan 0.000 0.473 518 N N 1.364 120.051 118.700 -0.021 0.000 2.512 518 N HA 0.189 4.929 4.740 0.000 0.000 0.183 518 N C 0.404 176.016 175.510 0.170 0.000 1.073 518 N CA 0.979 54.123 53.050 0.157 0.000 0.911 518 N CB 0.236 38.904 38.487 0.303 0.000 0.964 518 N HN 0.619 nan 8.380 nan 0.000 0.447 519 G N -1.157 107.682 108.800 0.065 0.000 2.375 519 G HA2 -0.103 3.857 3.960 0.000 0.000 0.663 519 G HA3 -0.103 3.857 3.960 0.000 0.000 0.663 519 G C -1.144 173.774 174.900 0.030 0.000 1.391 519 G CA -0.815 44.322 45.100 0.062 0.000 0.949 519 G HN -0.026 nan 8.290 nan 0.000 0.646 520 S N 1.266 116.986 115.700 0.033 0.000 3.363 520 S HA 0.614 5.085 4.470 0.000 0.000 0.267 520 S C -0.472 174.165 174.600 0.062 0.000 1.288 520 S CA -0.091 58.096 58.200 -0.023 0.000 0.948 520 S CB -0.624 62.551 63.200 -0.040 0.000 1.397 520 S HN 1.196 nan 8.310 nan 0.000 0.493 521 Y N -0.960 119.357 120.300 0.028 0.000 2.597 521 Y HA 0.608 5.158 4.550 0.000 0.000 0.340 521 Y C 0.369 176.341 175.900 0.121 0.000 1.097 521 Y CA -0.927 57.215 58.100 0.070 0.000 1.037 521 Y CB 0.558 39.094 38.460 0.127 0.000 1.305 521 Y HN 0.384 nan 8.280 nan 0.000 0.463 522 S N -0.099 115.752 115.700 0.251 0.000 3.445 522 S HA -0.324 4.146 4.470 0.000 0.000 0.319 522 S C 0.282 174.979 174.600 0.162 0.000 1.209 522 S CA 0.955 59.344 58.200 0.315 0.000 0.934 522 S CB -2.815 60.606 63.200 0.369 0.000 0.999 522 S HN 2.048 nan 8.310 nan 0.000 0.582 523 S N -0.336 115.405 115.700 0.069 0.000 3.614 523 S HA -0.290 4.180 4.470 0.000 0.000 0.360 523 S C 1.084 175.670 174.600 -0.023 0.000 1.023 523 S CA 1.337 59.560 58.200 0.039 0.000 1.114 523 S CB -1.599 61.675 63.200 0.123 0.000 0.907 523 S HN 1.242 nan 8.310 nan 0.000 0.470 524 R N -0.955 119.475 120.500 -0.117 0.000 2.280 524 R HA 0.253 4.593 4.340 0.000 0.000 0.195 524 R C 1.596 177.869 176.300 -0.045 0.000 0.935 524 R CA 0.619 56.650 56.100 -0.115 0.000 1.033 524 R CB -0.196 29.954 30.300 -0.250 0.000 0.964 524 R HN 0.368 nan 8.270 nan 0.000 0.489 525 V N 1.472 121.351 119.914 -0.058 0.000 2.307 525 V HA -0.200 3.920 4.120 0.000 0.000 0.245 525 V C 2.046 178.134 176.094 -0.009 0.000 1.045 525 V CA 2.358 64.636 62.300 -0.036 0.000 1.024 525 V CB -0.522 31.270 31.823 -0.052 0.000 0.651 525 V HN 0.401 nan 8.190 nan 0.000 0.449 526 T N -0.087 114.467 114.554 0.001 0.000 2.708 526 T HA -0.208 4.142 4.350 0.000 0.000 0.266 526 T C 1.706 176.382 174.700 -0.039 0.000 1.037 526 T CA 2.030 64.121 62.100 -0.015 0.000 1.146 526 T CB -0.427 68.439 68.868 -0.002 0.000 0.865 526 T HN 0.400 nan 8.240 nan 0.000 0.435 527 F N 1.103 120.985 119.950 -0.113 0.000 2.102 527 F HA -0.131 4.396 4.527 0.000 0.000 0.298 527 F C 2.312 177.967 175.800 -0.242 0.000 1.105 527 F CA 1.262 59.157 58.000 -0.175 0.000 1.239 527 F CB -0.115 38.791 39.000 -0.157 0.000 0.991 527 F HN 0.027 nan 8.300 nan 0.000 0.474 528 M N -0.725 118.969 119.600 0.157 0.000 2.115 528 M HA -0.102 4.378 4.480 0.000 0.000 0.261 528 M C 2.213 178.545 176.300 0.054 0.000 1.079 528 M CA 1.215 56.618 55.300 0.172 0.000 1.143 528 M CB -1.291 31.427 32.600 0.197 0.000 1.332 528 M HN -0.003 nan 8.290 nan 0.000 0.421 529 V N 0.350 120.276 119.914 0.019 0.000 2.548 529 V HA -0.095 4.025 4.120 0.000 0.000 0.249 529 V C 2.628 178.695 176.094 -0.046 0.000 1.055 529 V CA 1.780 64.078 62.300 -0.004 0.000 1.065 529 V CB -1.540 30.275 31.823 -0.014 0.000 0.681 529 V HN 0.591 nan 8.190 nan 0.000 0.462 530 G N 0.225 108.972 108.800 -0.088 0.000 2.421 530 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 530 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 530 G C 1.457 176.253 174.900 -0.174 0.000 1.171 530 G CA 0.793 45.824 45.100 -0.115 0.000 0.775 530 G HN 0.486 nan 8.290 nan 0.000 0.543 531 N N 1.139 119.657 118.700 -0.303 0.000 2.166 531 N HA -0.053 4.687 4.740 0.000 0.000 0.186 531 N C 2.459 177.892 175.510 -0.128 0.000 1.019 531 N CA 1.188 54.022 53.050 -0.359 0.000 0.856 531 N CB -0.372 37.627 38.487 -0.815 0.000 0.993 531 N HN 0.302 nan 8.380 nan 0.000 0.426 532 A N 0.165 122.970 122.820 -0.026 0.000 1.969 532 A HA -0.028 4.293 4.320 0.000 0.000 0.218 532 A C 2.465 180.049 177.584 -0.001 0.000 1.169 532 A CA 1.383 53.441 52.037 0.035 0.000 0.635 532 A CB -0.473 18.565 19.000 0.062 0.000 0.810 532 A HN 0.227 nan 8.150 nan 0.000 0.445 533 S N -0.172 115.515 115.700 -0.021 0.000 2.368 533 S HA -0.073 4.397 4.470 0.000 0.000 0.224 533 S C 1.793 176.388 174.600 -0.009 0.000 1.029 533 S CA 1.319 59.512 58.200 -0.012 0.000 0.988 533 S CB -0.425 62.767 63.200 -0.012 0.000 0.838 533 S HN 0.553 nan 8.310 nan 0.000 0.462 534 I N 1.047 121.595 120.570 -0.036 0.000 2.179 534 I HA -0.184 3.986 4.170 0.000 0.000 0.242 534 I C 2.695 178.788 176.117 -0.039 0.000 1.088 534 I CA 1.154 62.425 61.300 -0.048 0.000 1.357 534 I CB -0.409 37.492 38.000 -0.166 0.000 1.051 534 I HN 0.306 nan 8.210 nan 0.000 0.409 535 S N 0.663 116.342 115.700 -0.035 0.000 2.370 535 S HA -0.229 4.241 4.470 0.000 0.000 0.226 535 S C 2.199 176.800 174.600 0.002 0.000 1.033 535 S CA 1.597 59.790 58.200 -0.011 0.000 1.011 535 S CB -0.232 62.975 63.200 0.013 0.000 0.852 535 S HN 0.471 nan 8.310 nan 0.000 0.457 536 A N 1.230 124.054 122.820 0.007 0.000 1.898 536 A HA 0.260 4.580 4.320 0.000 0.000 0.216 536 A C 2.485 180.083 177.584 0.024 0.000 1.181 536 A CA 1.792 53.838 52.037 0.014 0.000 0.620 536 A CB -1.368 17.639 19.000 0.013 0.000 0.819 536 A HN 0.807 nan 8.150 nan 0.000 0.442 537 A N -0.148 122.687 122.820 0.026 0.000 1.930 537 A HA -0.146 4.174 4.320 0.000 0.000 0.217 537 A C 1.882 179.494 177.584 0.047 0.000 1.175 537 A CA 1.579 53.642 52.037 0.044 0.000 0.627 537 A CB -0.478 18.551 19.000 0.049 0.000 0.815 537 A HN 0.644 nan 8.150 nan 0.000 0.443 538 E N -0.313 119.903 120.200 0.026 0.000 2.106 538 E HA -0.161 4.189 4.350 0.000 0.000 0.192 538 E C 1.911 178.530 176.600 0.031 0.000 0.984 538 E CA 1.038 57.452 56.400 0.023 0.000 0.806 538 E CB -0.091 29.609 29.700 -0.001 0.000 0.750 538 E HN 0.551 nan 8.360 nan 0.000 0.458 539 E N 0.730 120.946 120.200 0.026 0.000 2.072 539 E HA -0.172 4.178 4.350 0.000 0.000 0.191 539 E C 2.205 178.828 176.600 0.039 0.000 0.985 539 E CA 0.602 57.018 56.400 0.026 0.000 0.801 539 E CB -0.230 29.482 29.700 0.019 0.000 0.750 539 E HN 0.161 nan 8.360 nan 0.000 0.452 540 L N 1.833 123.086 121.223 0.051 0.000 2.046 540 L HA -0.134 4.206 4.340 0.000 0.000 0.208 540 L C 2.305 179.232 176.870 0.096 0.000 1.077 540 L CA 1.850 56.730 54.840 0.068 0.000 0.747 540 L CB -0.439 41.671 42.059 0.085 0.000 0.896 540 L HN -0.045 nan 8.230 nan 0.000 0.432 541 K N -0.820 119.646 120.400 0.110 0.000 2.063 541 K HA -0.157 4.163 4.320 0.000 0.000 0.208 541 K C 1.989 178.666 176.600 0.128 0.000 1.048 541 K CA 1.407 57.783 56.287 0.147 0.000 0.928 541 K CB -0.622 31.942 32.500 0.107 0.000 0.713 541 K HN 0.516 nan 8.250 nan 0.000 0.442 542 G N 0.471 109.317 108.800 0.078 0.000 2.440 542 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 542 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 542 G C 1.467 176.396 174.900 0.049 0.000 1.154 542 G CA 1.038 46.172 45.100 0.058 0.000 0.767 542 G HN 0.214 nan 8.290 nan 0.000 0.552 543 V N 0.909 120.846 119.914 0.037 0.000 2.343 543 V HA -0.112 4.008 4.120 0.000 0.000 0.247 543 V C 2.901 178.987 176.094 -0.014 0.000 1.051 543 V CA 1.447 63.752 62.300 0.009 0.000 1.036 543 V CB -0.425 31.399 31.823 0.002 0.000 0.654 543 V HN 0.341 nan 8.190 nan 0.000 0.451 544 L N -0.590 120.637 121.223 0.006 0.000 2.056 544 L HA -0.109 4.232 4.340 0.000 0.000 0.207 544 L C 2.481 179.323 176.870 -0.047 0.000 1.078 544 L CA 0.941 55.729 54.840 -0.087 0.000 0.749 544 L CB -0.625 41.419 42.059 -0.025 0.000 0.901 544 L HN 0.184 nan 8.230 nan 0.000 0.433 545 V N 0.226 120.233 119.914 0.156 0.000 2.407 545 V HA -0.302 3.818 4.120 0.000 0.000 0.248 545 V C 2.592 178.723 176.094 0.061 0.000 1.055 545 V CA 1.813 64.227 62.300 0.189 0.000 1.049 545 V CB -0.482 31.449 31.823 0.180 0.000 0.662 545 V HN 0.437 nan 8.190 nan 0.000 0.455 546 K N 0.225 120.639 120.400 0.024 0.000 2.057 546 K HA -0.183 4.137 4.320 0.000 0.000 0.207 546 K C 2.176 178.756 176.600 -0.032 0.000 1.049 546 K CA 1.611 57.898 56.287 -0.001 0.000 0.931 546 K CB -0.314 32.184 32.500 -0.004 0.000 0.714 546 K HN 0.431 nan 8.250 nan 0.000 0.440 547 A N 0.899 123.676 122.820 -0.072 0.000 1.898 547 A HA -0.066 4.254 4.320 0.000 0.000 0.216 547 A C 2.302 179.811 177.584 -0.125 0.000 1.181 547 A CA 1.752 53.723 52.037 -0.109 0.000 0.620 547 A CB -0.740 18.164 19.000 -0.160 0.000 0.819 547 A HN 0.479 nan 8.150 nan 0.000 0.442 548 A N -0.099 122.625 122.820 -0.159 0.000 1.898 548 A HA 0.184 4.504 4.320 0.000 0.000 0.216 548 A C 2.502 180.069 177.584 -0.028 0.000 1.181 548 A CA 2.013 53.973 52.037 -0.129 0.000 0.620 548 A CB -1.004 17.934 19.000 -0.104 0.000 0.819 548 A HN 1.030 nan 8.150 nan 0.000 0.442 549 A N -0.165 122.657 122.820 0.003 0.000 1.902 549 A HA -0.162 4.158 4.320 0.000 0.000 0.217 549 A C 2.074 179.656 177.584 -0.004 0.000 1.181 549 A CA 2.325 54.371 52.037 0.014 0.000 0.623 549 A CB -0.427 18.586 19.000 0.023 0.000 0.818 549 A HN 0.482 nan 8.150 nan 0.000 0.443 550 K N 0.221 120.610 120.400 -0.018 0.000 2.026 550 K HA -0.158 4.162 4.320 0.000 0.000 0.208 550 K C 2.076 178.662 176.600 -0.023 0.000 1.048 550 K CA 2.127 58.401 56.287 -0.021 0.000 0.929 550 K CB -0.248 32.234 32.500 -0.030 0.000 0.713 550 K HN 0.422 nan 8.250 nan 0.000 0.439 551 K N -0.105 120.273 120.400 -0.035 0.000 2.148 551 K HA -0.034 4.286 4.320 0.000 0.000 0.204 551 K C 1.362 177.951 176.600 -0.019 0.000 1.050 551 K CA 1.175 57.441 56.287 -0.034 0.000 0.942 551 K CB 0.057 32.524 32.500 -0.055 0.000 0.724 551 K HN 0.177 nan 8.250 nan 0.000 0.446 552 L N 0.531 121.748 121.223 -0.010 0.000 2.592 552 L HA 0.044 4.384 4.340 0.000 0.000 0.227 552 L C 0.045 176.918 176.870 0.005 0.000 1.127 552 L CA -0.115 54.727 54.840 0.003 0.000 0.884 552 L CB 0.066 42.136 42.059 0.018 0.000 1.065 552 L HN 0.268 nan 8.230 nan 0.000 0.457 553 D N 1.171 121.571 120.400 -0.000 0.000 2.708 553 D HA -0.171 4.469 4.640 0.000 0.000 0.236 553 D C -0.018 176.286 176.300 0.006 0.000 1.146 553 D CA 0.869 54.869 54.000 0.001 0.000 0.662 553 D CB -0.292 40.508 40.800 0.001 0.000 1.059 553 D HN 0.417 nan 8.370 nan 0.000 0.428 554 A N 0.282 123.108 122.820 0.009 0.000 2.437 554 A HA 0.817 5.137 4.320 0.000 0.000 0.292 554 A C 0.179 177.771 177.584 0.014 0.000 1.173 554 A CA -0.728 51.317 52.037 0.014 0.000 0.785 554 A CB 1.251 20.264 19.000 0.021 0.000 1.351 554 A HN 0.156 nan 8.150 nan 0.000 0.431 555 R N 0.209 120.719 120.500 0.015 0.000 2.490 555 R HA 0.262 4.602 4.340 0.000 0.000 0.278 555 R C 0.252 176.565 176.300 0.022 0.000 1.069 555 R CA -0.291 55.818 56.100 0.015 0.000 1.080 555 R CB 0.815 31.122 30.300 0.012 0.000 1.030 555 R HN 0.867 nan 8.270 nan 0.000 0.491 556 E N 1.964 122.177 120.200 0.022 0.000 2.077 556 E HA -0.227 4.123 4.350 0.000 0.000 0.193 556 E C 1.465 178.083 176.600 0.032 0.000 0.989 556 E CA 1.399 57.818 56.400 0.032 0.000 0.800 556 E CB 0.115 29.832 29.700 0.028 0.000 0.746 556 E HN 0.613 nan 8.360 nan 0.000 0.452 557 E N 1.120 121.333 120.200 0.022 0.000 2.267 557 E HA -0.213 4.138 4.350 0.000 0.000 0.197 557 E C 0.730 177.341 176.600 0.018 0.000 0.998 557 E CA 0.982 57.392 56.400 0.018 0.000 0.830 557 E CB -0.127 29.580 29.700 0.012 0.000 0.751 557 E HN 0.264 nan 8.360 nan 0.000 0.491 558 D N 0.499 120.911 120.400 0.021 0.000 2.339 558 D HA 0.113 4.753 4.640 0.000 0.000 0.217 558 D C 0.385 176.701 176.300 0.027 0.000 1.050 558 D CA 0.006 54.018 54.000 0.020 0.000 0.856 558 D CB 0.382 41.193 40.800 0.018 0.000 0.922 558 D HN 0.141 nan 8.370 nan 0.000 0.518 559 I N 1.684 122.277 120.570 0.039 0.000 2.395 559 I HA 0.143 4.313 4.170 0.000 0.000 0.289 559 I C 0.661 176.791 176.117 0.023 0.000 1.023 559 I CA -0.145 61.188 61.300 0.055 0.000 1.350 559 I CB 0.787 38.851 38.000 0.107 0.000 1.409 559 I HN -0.233 nan 8.210 nan 0.000 0.507 560 E N 4.886 125.087 120.200 0.002 0.000 2.183 560 E HA 0.532 4.882 4.350 0.000 0.000 0.271 560 E C -1.204 175.319 176.600 -0.127 0.000 0.919 560 E CA -0.728 55.645 56.400 -0.046 0.000 0.781 560 E CB 2.810 32.492 29.700 -0.030 0.000 1.140 560 E HN 0.249 nan 8.360 nan 0.000 0.402 561 V N 4.849 124.634 119.914 -0.216 0.000 2.378 561 V HA 0.465 4.585 4.120 0.000 0.000 0.288 561 V C -0.213 175.725 176.094 -0.260 0.000 1.016 561 V CA -0.649 61.387 62.300 -0.440 0.000 0.840 561 V CB 0.635 32.090 31.823 -0.613 0.000 0.994 561 V HN 0.537 nan 8.190 nan 0.000 0.431 562 I N 0.252 120.697 120.570 -0.209 0.000 2.610 562 I HA 0.600 4.770 4.170 0.000 0.000 0.289 562 I C -0.783 175.286 176.117 -0.080 0.000 1.163 562 I CA -0.789 60.441 61.300 -0.116 0.000 1.044 562 I CB 2.241 40.198 38.000 -0.072 0.000 1.251 562 I HN 0.430 nan 8.210 nan 0.000 0.424 563 D N 4.767 125.126 120.400 -0.070 0.000 2.735 563 D HA -0.195 4.445 4.640 0.000 0.000 0.235 563 D C 0.296 176.589 176.300 -0.011 0.000 1.175 563 D CA 1.611 55.583 54.000 -0.045 0.000 0.683 563 D CB -0.475 40.305 40.800 -0.033 0.000 1.008 563 D HN 0.971 nan 8.370 nan 0.000 0.416 564 E N -2.286 117.916 120.200 0.003 0.000 2.586 564 E HA -0.260 4.090 4.350 0.000 0.000 0.259 564 E C 0.075 176.809 176.600 0.224 0.000 1.107 564 E CA 0.719 57.200 56.400 0.134 0.000 0.754 564 E CB -0.483 29.262 29.700 0.075 0.000 1.335 564 E HN 0.391 nan 8.360 nan 0.000 0.411 565 M N -0.030 119.641 119.600 0.119 0.000 2.393 565 M HA 0.457 4.937 4.480 0.000 0.000 0.299 565 M C -0.680 175.679 176.300 0.098 0.000 1.103 565 M CA -0.516 54.889 55.300 0.174 0.000 0.910 565 M CB 1.253 33.906 32.600 0.088 0.000 1.659 565 M HN -0.064 nan 8.290 nan 0.000 0.445 566 F N 4.422 124.398 119.950 0.042 0.000 2.426 566 F HA 0.732 5.259 4.527 0.000 0.000 0.348 566 F C 0.276 176.085 175.800 0.015 0.000 1.124 566 F CA -0.662 57.354 58.000 0.026 0.000 1.008 566 F CB 1.298 40.303 39.000 0.007 0.000 1.139 566 F HN 0.557 nan 8.300 nan 0.000 0.452 567 M N 1.185 120.865 119.600 0.133 0.000 2.618 567 M HA 0.750 5.230 4.480 0.000 0.000 0.281 567 M C -1.840 174.497 176.300 0.061 0.000 1.267 567 M CA -1.085 54.268 55.300 0.088 0.000 0.845 567 M CB 1.962 34.594 32.600 0.055 0.000 1.732 567 M HN 0.033 nan 8.290 nan 0.000 0.461 568 V N 2.903 122.846 119.914 0.048 0.000 2.508 568 V HA 0.217 4.337 4.120 0.000 0.000 0.281 568 V C 0.383 176.491 176.094 0.023 0.000 1.041 568 V CA -0.242 62.078 62.300 0.035 0.000 1.016 568 V CB 1.028 32.868 31.823 0.028 0.000 0.984 568 V HN 0.971 nan 8.190 nan 0.000 0.478 569 S N 3.904 119.615 115.700 0.018 0.000 2.544 569 S HA 0.329 4.799 4.470 0.000 0.000 0.290 569 S C 1.305 175.910 174.600 0.010 0.000 1.276 569 S CA 0.070 58.276 58.200 0.010 0.000 1.075 569 S CB 0.414 63.619 63.200 0.007 0.000 0.849 569 S HN 2.070 nan 8.310 nan 0.000 0.494 570 G N 1.516 110.321 108.800 0.008 0.000 2.162 570 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 570 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 570 G C 0.191 175.096 174.900 0.009 0.000 0.976 570 G CA 0.312 45.416 45.100 0.007 0.000 0.655 570 G HN 1.351 nan 8.290 nan 0.000 0.533 571 S N -0.419 115.288 115.700 0.012 0.000 2.601 571 S HA 0.474 4.944 4.470 0.000 0.000 0.271 571 S C 1.649 176.256 174.600 0.012 0.000 1.305 571 S CA 0.616 58.823 58.200 0.013 0.000 1.022 571 S CB 0.987 64.197 63.200 0.017 0.000 0.940 571 S HN 0.670 nan 8.310 nan 0.000 0.525 572 Q N 1.392 121.199 119.800 0.011 0.000 2.451 572 Q HA 0.130 4.470 4.340 0.000 0.000 0.206 572 Q C -0.235 175.773 176.000 0.013 0.000 0.947 572 Q CA 0.263 56.072 55.803 0.011 0.000 0.937 572 Q CB -0.077 28.666 28.738 0.009 0.000 1.025 572 Q HN 0.558 nan 8.270 nan 0.000 0.511 573 D N 1.666 122.075 120.400 0.016 0.000 2.280 573 D HA 0.137 4.777 4.640 0.000 0.000 0.243 573 D C -1.792 174.523 176.300 0.025 0.000 1.129 573 D CA -2.389 51.623 54.000 0.019 0.000 0.848 573 D CB 1.801 42.612 40.800 0.019 0.000 1.107 573 D HN -0.088 nan 8.370 nan 0.000 0.471 574 P HA 0.061 nan 4.420 nan 0.000 0.225 574 P C 0.620 177.948 177.300 0.048 0.000 1.148 574 P CA 0.904 64.023 63.100 0.032 0.000 0.779 574 P CB 0.153 31.871 31.700 0.030 0.000 0.780 575 G N -0.949 107.880 108.800 0.048 0.000 2.484 575 G HA2 -0.176 3.784 3.960 0.000 0.000 0.225 575 G HA3 -0.176 3.784 3.960 0.000 0.000 0.225 575 G C -1.182 173.759 174.900 0.069 0.000 1.250 575 G CA -0.564 44.576 45.100 0.067 0.000 0.926 575 G HN 0.239 nan 8.290 nan 0.000 0.581 576 L N 0.911 122.195 121.223 0.102 0.000 2.362 576 L HA 0.645 4.985 4.340 0.000 0.000 0.271 576 L C 1.097 178.053 176.870 0.143 0.000 1.002 576 L CA -0.371 54.514 54.840 0.075 0.000 0.818 576 L CB 2.158 44.217 42.059 0.000 0.000 1.298 576 L HN 1.037 nan 8.230 nan 0.000 0.420 577 S N 0.670 116.433 115.700 0.105 0.000 2.614 577 S HA 0.157 4.627 4.470 0.000 0.000 0.265 577 S C 0.912 175.625 174.600 0.187 0.000 1.303 577 S CA -0.371 57.928 58.200 0.164 0.000 1.000 577 S CB 0.671 63.941 63.200 0.117 0.000 0.935 577 S HN 0.563 nan 8.310 nan 0.000 0.551 578 F N 1.566 121.614 119.950 0.162 0.000 2.091 578 F HA -0.160 4.367 4.527 0.000 0.000 0.299 578 F C 2.689 178.492 175.800 0.005 0.000 1.103 578 F CA 2.386 60.481 58.000 0.158 0.000 1.228 578 F CB -0.506 38.599 39.000 0.174 0.000 0.984 578 F HN 0.726 nan 8.300 nan 0.000 0.477 579 Q N 0.734 120.636 119.800 0.169 0.000 2.124 579 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 579 Q C 1.980 177.936 176.000 -0.072 0.000 0.977 579 Q CA 2.068 57.899 55.803 0.047 0.000 0.850 579 Q CB -0.348 28.450 28.738 0.100 0.000 0.901 579 Q HN 0.591 nan 8.270 nan 0.000 0.429 580 E N -1.175 118.987 120.200 -0.064 0.000 2.110 580 E HA -0.135 4.215 4.350 0.000 0.000 0.193 580 E C 1.854 178.334 176.600 -0.199 0.000 0.988 580 E CA 1.351 57.694 56.400 -0.094 0.000 0.804 580 E CB 0.076 29.744 29.700 -0.055 0.000 0.745 580 E HN 0.193 nan 8.360 nan 0.000 0.458 581 V N 0.574 120.277 119.914 -0.351 0.000 2.453 581 V HA -0.192 3.929 4.120 0.000 0.000 0.247 581 V C 2.244 178.050 176.094 -0.480 0.000 1.048 581 V CA 1.014 62.990 62.300 -0.540 0.000 1.049 581 V CB -0.205 30.965 31.823 -1.088 0.000 0.672 581 V HN 0.135 nan 8.190 nan 0.000 0.457 582 V N -0.121 119.500 119.914 -0.488 0.000 2.295 582 V HA -0.292 3.828 4.120 0.000 0.000 0.246 582 V C 2.494 178.482 176.094 -0.177 0.000 1.049 582 V CA 2.084 64.178 62.300 -0.344 0.000 1.024 582 V CB -0.637 31.025 31.823 -0.269 0.000 0.648 582 V HN 0.525 nan 8.190 nan 0.000 0.447 583 K N -0.061 120.262 120.400 -0.128 0.000 2.063 583 K HA -0.171 4.149 4.320 0.000 0.000 0.208 583 K C 2.283 178.836 176.600 -0.078 0.000 1.048 583 K CA 1.550 57.801 56.287 -0.061 0.000 0.928 583 K CB -0.418 32.059 32.500 -0.039 0.000 0.713 583 K HN 0.487 nan 8.250 nan 0.000 0.442 584 A N 1.282 124.029 122.820 -0.122 0.000 1.933 584 A HA -0.093 4.227 4.320 0.000 0.000 0.218 584 A C 2.292 179.811 177.584 -0.109 0.000 1.175 584 A CA 1.782 53.751 52.037 -0.113 0.000 0.628 584 A CB -0.545 18.370 19.000 -0.142 0.000 0.814 584 A HN 0.347 nan 8.150 nan 0.000 0.444 585 A N -1.268 121.466 122.820 -0.143 0.000 2.066 585 A HA 0.014 4.334 4.320 0.000 0.000 0.218 585 A C 2.016 179.558 177.584 -0.070 0.000 1.157 585 A CA 1.503 53.469 52.037 -0.119 0.000 0.670 585 A CB -0.390 18.514 19.000 -0.161 0.000 0.804 585 A HN 0.412 nan 8.150 nan 0.000 0.453 586 M N -0.099 119.469 119.600 -0.053 0.000 2.319 586 M HA 0.038 4.518 4.480 0.000 0.000 0.265 586 M C 0.620 176.910 176.300 -0.016 0.000 1.068 586 M CA 0.507 55.798 55.300 -0.015 0.000 1.118 586 M CB -0.987 31.625 32.600 0.019 0.000 1.395 586 M HN 0.085 nan 8.290 nan 0.000 0.435 587 V N 3.036 122.933 119.914 -0.029 0.000 2.557 587 V HA -0.091 4.029 4.120 0.000 0.000 0.301 587 V C 0.507 176.587 176.094 -0.023 0.000 1.026 587 V CA 0.359 62.644 62.300 -0.026 0.000 1.137 587 V CB -0.202 31.602 31.823 -0.032 0.000 0.917 587 V HN 0.522 nan 8.190 nan 0.000 0.484 588 D N 2.870 123.260 120.400 -0.018 0.000 2.911 588 D HA -0.181 4.459 4.640 0.000 0.000 0.227 588 D C 1.007 177.299 176.300 -0.013 0.000 1.164 588 D CA 1.553 55.544 54.000 -0.015 0.000 0.782 588 D CB -1.099 39.691 40.800 -0.016 0.000 1.094 588 D HN 0.792 nan 8.370 nan 0.000 0.425 589 S N -2.117 113.577 115.700 -0.010 0.000 3.640 589 S HA 0.439 4.909 4.470 0.000 0.000 0.246 589 S C 1.053 175.655 174.600 0.002 0.000 1.133 589 S CA 1.441 59.637 58.200 -0.006 0.000 0.882 589 S CB 0.540 63.733 63.200 -0.012 0.000 1.015 589 S HN 1.203 nan 8.310 nan 0.000 0.469 590 G N 1.061 109.866 108.800 0.008 0.000 2.645 590 G HA2 -0.221 3.739 3.960 0.000 0.000 0.239 590 G HA3 -0.221 3.739 3.960 0.000 0.000 0.239 590 G C -0.225 174.695 174.900 0.032 0.000 1.331 590 G CA -0.259 44.857 45.100 0.026 0.000 0.890 590 G HN 1.165 nan 8.290 nan 0.000 0.572 591 T N 0.580 115.163 114.554 0.049 0.000 2.718 591 T HA 0.235 4.585 4.350 0.000 0.000 0.265 591 T C 0.868 175.583 174.700 0.025 0.000 1.014 591 T CA 1.070 63.197 62.100 0.045 0.000 1.172 591 T CB -0.184 68.713 68.868 0.049 0.000 1.007 591 T HN 0.621 nan 8.240 nan 0.000 0.500 592 I N 4.062 124.643 120.570 0.019 0.000 2.331 592 I HA 0.335 4.505 4.170 0.000 0.000 0.292 592 I C 0.763 176.890 176.117 0.016 0.000 0.998 592 I CA -0.532 60.775 61.300 0.013 0.000 1.267 592 I CB 1.166 39.170 38.000 0.007 0.000 1.386 592 I HN 0.670 nan 8.210 nan 0.000 0.476 593 T N 3.946 118.509 114.554 0.014 0.000 2.848 593 T HA 0.740 5.090 4.350 0.000 0.000 0.285 593 T C -0.428 174.279 174.700 0.013 0.000 0.995 593 T CA -0.774 61.334 62.100 0.014 0.000 0.970 593 T CB 1.575 70.451 68.868 0.012 0.000 0.976 593 T HN 0.409 nan 8.240 nan 0.000 0.441 594 V N -0.389 119.534 119.914 0.014 0.000 3.074 594 V HA 0.876 4.996 4.120 0.000 0.000 0.314 594 V C -0.815 175.286 176.094 0.010 0.000 1.117 594 V CA -1.248 61.060 62.300 0.013 0.000 1.014 594 V CB 2.092 33.926 31.823 0.019 0.000 1.057 594 V HN 1.195 nan 8.190 nan 0.000 0.438 595 K N 0.876 121.281 120.400 0.008 0.000 2.427 595 K HA 0.782 5.102 4.320 0.000 0.000 0.252 595 K C -0.490 176.114 176.600 0.007 0.000 0.931 595 K CA -0.156 56.134 56.287 0.006 0.000 0.793 595 K CB 2.105 34.606 32.500 0.002 0.000 1.211 595 K HN 1.317 nan 8.250 nan 0.000 0.426 596 G N 1.343 110.148 108.800 0.009 0.000 2.542 596 G HA2 0.599 4.560 3.960 0.000 0.000 0.311 596 G HA3 0.599 4.560 3.960 0.000 0.000 0.311 596 G C -0.921 173.991 174.900 0.020 0.000 1.298 596 G CA -0.573 44.535 45.100 0.013 0.000 0.973 596 G HN 0.633 nan 8.290 nan 0.000 0.487 597 T N -1.714 112.858 114.554 0.030 0.000 2.883 597 T HA 0.717 5.067 4.350 0.000 0.000 0.296 597 T C -1.612 173.149 174.700 0.103 0.000 1.117 597 T CA -0.894 61.231 62.100 0.042 0.000 1.006 597 T CB 2.227 71.093 68.868 -0.004 0.000 1.191 597 T HN 0.788 nan 8.240 nan 0.000 0.508 598 Y N -0.140 120.141 120.300 -0.032 0.000 2.504 598 Y HA 0.633 5.183 4.550 0.000 0.000 0.344 598 Y C -1.277 174.586 175.900 -0.061 0.000 1.023 598 Y CA -0.467 57.614 58.100 -0.032 0.000 1.020 598 Y CB 2.433 40.895 38.460 0.003 0.000 1.282 598 Y HN 1.023 nan 8.280 nan 0.000 0.454 599 T N 4.630 118.507 114.554 -1.129 0.000 2.971 599 T HA 0.318 4.668 4.350 0.000 0.000 0.304 599 T C -1.210 172.874 174.700 -1.028 0.000 1.038 599 T CA -0.493 60.999 62.100 -1.013 0.000 1.007 599 T CB 0.671 69.074 68.868 -0.775 0.000 1.055 599 T HN 0.744 nan 8.240 nan 0.000 0.451 600 C N 4.907 123.954 119.300 -0.422 0.000 2.648 600 C HA 0.304 4.764 4.460 0.000 0.000 0.419 600 C C -1.750 173.201 174.990 -0.065 0.000 1.352 600 C CA -0.918 58.040 59.018 -0.099 0.000 1.816 600 C CB -0.687 27.156 27.740 0.172 0.000 2.598 600 C HN 0.622 nan 8.230 nan 0.000 0.598 601 P HA 0.075 nan 4.420 nan 0.000 0.269 601 P C 1.029 178.422 177.300 0.154 0.000 1.215 601 P CA 0.274 63.439 63.100 0.109 0.000 0.780 601 P CB 0.457 32.314 31.700 0.262 0.000 0.898 602 T N 1.035 115.618 114.554 0.049 0.000 2.737 602 T HA -0.191 4.159 4.350 0.000 0.000 0.269 602 T C 1.447 176.137 174.700 -0.016 0.000 1.040 602 T CA 1.682 63.784 62.100 0.003 0.000 1.142 602 T CB -0.582 68.262 68.868 -0.040 0.000 0.861 602 T HN 0.569 nan 8.240 nan 0.000 0.456 603 E N -0.238 119.935 120.200 -0.046 0.000 2.333 603 E HA -0.110 4.240 4.350 0.000 0.000 0.198 603 E C 1.167 177.565 176.600 -0.337 0.000 1.007 603 E CA 0.982 57.253 56.400 -0.216 0.000 0.845 603 E CB -0.643 28.860 29.700 -0.327 0.000 0.766 603 E HN 0.656 nan 8.360 nan 0.000 0.507 604 F N 1.091 121.020 119.950 -0.035 0.000 2.693 604 F HA 0.224 4.751 4.527 0.000 0.000 0.303 604 F C 1.510 177.273 175.800 -0.062 0.000 1.097 604 F CA 0.040 58.014 58.000 -0.043 0.000 1.330 604 F CB 0.387 39.359 39.000 -0.047 0.000 1.067 604 F HN -0.088 nan 8.300 nan 0.000 0.565 605 Q N 0.468 120.298 119.800 0.050 0.000 2.211 605 Q HA 0.361 4.701 4.340 0.000 0.000 0.231 605 Q C 1.078 177.047 176.000 -0.052 0.000 0.865 605 Q CA 0.129 55.927 55.803 -0.007 0.000 0.997 605 Q CB 0.400 29.117 28.738 -0.035 0.000 1.101 605 Q HN 0.440 nan 8.270 nan 0.000 0.468 606 G N 1.800 110.567 108.800 -0.055 0.000 2.584 606 G HA2 -0.250 3.711 3.960 0.000 0.000 0.229 606 G HA3 -0.250 3.711 3.960 0.000 0.000 0.229 606 G C -0.932 173.897 174.900 -0.118 0.000 1.320 606 G CA -0.432 44.613 45.100 -0.090 0.000 0.891 606 G HN 0.368 nan 8.290 nan 0.000 0.573 607 D N 1.081 121.395 120.400 -0.143 0.000 2.313 607 D HA 0.303 4.943 4.640 0.000 0.000 0.239 607 D C 1.791 178.025 176.300 -0.110 0.000 1.142 607 D CA 0.074 53.999 54.000 -0.124 0.000 0.847 607 D CB 0.988 41.710 40.800 -0.130 0.000 1.082 607 D HN 0.668 nan 8.370 nan 0.000 0.480 608 K N 3.169 123.508 120.400 -0.101 0.000 2.281 608 K HA -0.129 4.191 4.320 0.000 0.000 0.203 608 K C 0.774 177.325 176.600 -0.081 0.000 1.046 608 K CA 0.868 57.094 56.287 -0.102 0.000 0.938 608 K CB 0.203 32.643 32.500 -0.100 0.000 0.737 608 K HN 0.086 nan 8.250 nan 0.000 0.458 609 K N 0.730 121.088 120.400 -0.070 0.000 2.404 609 K HA 0.222 4.542 4.320 0.000 0.000 0.194 609 K C 0.301 176.872 176.600 -0.048 0.000 1.023 609 K CA 0.232 56.488 56.287 -0.051 0.000 1.094 609 K CB 0.503 32.975 32.500 -0.046 0.000 0.841 609 K HN 0.273 nan 8.250 nan 0.000 0.523 610 I N 1.532 122.062 120.570 -0.067 0.000 2.428 610 I HA 0.254 4.424 4.170 0.000 0.000 0.279 610 I C 1.080 177.161 176.117 -0.059 0.000 1.040 610 I CA -0.471 60.787 61.300 -0.070 0.000 1.171 610 I CB 1.317 39.249 38.000 -0.113 0.000 1.312 610 I HN -0.129 nan 8.210 nan 0.000 0.470 611 R N 3.381 123.874 120.500 -0.013 0.000 2.103 611 R HA -0.147 4.193 4.340 0.000 0.000 0.242 611 R C 2.192 178.504 176.300 0.020 0.000 1.142 611 R CA 1.853 57.974 56.100 0.034 0.000 0.960 611 R CB -0.255 30.096 30.300 0.085 0.000 0.858 611 R HN 0.832 nan 8.270 nan 0.000 0.439 612 G N 0.183 108.981 108.800 -0.004 0.000 2.509 612 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 612 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 612 G C 1.363 176.253 174.900 -0.017 0.000 1.124 612 G CA 0.852 45.954 45.100 0.002 0.000 0.776 612 G HN 0.461 nan 8.290 nan 0.000 0.547 613 S N 0.541 116.163 115.700 -0.130 0.000 2.507 613 S HA 0.272 4.742 4.470 0.000 0.000 0.235 613 S C 2.428 176.980 174.600 -0.080 0.000 0.988 613 S CA 1.118 59.137 58.200 -0.302 0.000 0.944 613 S CB -0.109 62.814 63.200 -0.461 0.000 0.762 613 S HN 0.483 nan 8.310 nan 0.000 0.526 614 A N 1.555 124.352 122.820 -0.038 0.000 2.015 614 A HA 0.216 4.536 4.320 0.000 0.000 0.219 614 A C 0.968 178.546 177.584 -0.011 0.000 1.163 614 A CA 0.525 52.553 52.037 -0.014 0.000 0.646 614 A CB -0.497 18.509 19.000 0.009 0.000 0.806 614 A HN 0.537 nan 8.150 nan 0.000 0.448 615 I N 0.095 120.643 120.570 -0.036 0.000 2.363 615 I HA 0.386 4.556 4.170 0.000 0.000 0.292 615 I C 1.439 177.446 176.117 -0.182 0.000 1.075 615 I CA 1.239 62.401 61.300 -0.230 0.000 1.333 615 I CB -0.368 37.418 38.000 -0.357 0.000 1.415 615 I HN 0.458 nan 8.210 nan 0.000 0.502 616 G N 5.117 113.788 108.800 -0.215 0.000 2.253 616 G HA2 -0.126 3.834 3.960 0.000 0.000 0.209 616 G HA3 -0.126 3.834 3.960 0.000 0.000 0.209 616 G C 0.433 175.340 174.900 0.011 0.000 0.997 616 G CA -0.074 44.978 45.100 -0.081 0.000 0.640 616 G HN 0.892 nan 8.290 nan 0.000 0.496 617 A N -0.034 122.802 122.820 0.026 0.000 2.354 617 A HA 0.867 5.187 4.320 0.000 0.000 0.269 617 A C 0.347 177.861 177.584 -0.116 0.000 1.109 617 A CA 1.128 53.170 52.037 0.007 0.000 0.800 617 A CB 1.212 20.226 19.000 0.022 0.000 1.045 617 A HN 1.507 nan 8.150 nan 0.000 0.489 618 T N 1.051 115.499 114.554 -0.177 0.000 2.749 618 T HA 0.360 4.710 4.350 0.000 0.000 0.310 618 T C 0.647 175.180 174.700 -0.278 0.000 1.496 618 T CA -0.600 61.302 62.100 -0.330 0.000 1.006 618 T CB 0.739 69.224 68.868 -0.638 0.000 1.457 618 T HN 0.386 nan 8.240 nan 0.000 0.497 619 M N 1.134 120.424 119.600 -0.516 0.000 2.319 619 M HA 0.270 4.750 4.480 0.000 0.000 0.265 619 M C 1.231 177.249 176.300 -0.469 0.000 1.068 619 M CA 1.242 56.120 55.300 -0.704 0.000 1.118 619 M CB -1.180 30.580 32.600 -1.400 0.000 1.395 619 M HN 0.825 nan 8.290 nan 0.000 0.435 620 G N -1.001 107.492 108.800 -0.512 0.000 2.489 620 G HA2 0.486 4.446 3.960 0.000 0.000 0.291 620 G HA3 0.486 4.446 3.960 0.000 0.000 0.291 620 G C -1.906 172.738 174.900 -0.426 0.000 1.487 620 G CA -0.845 44.113 45.100 -0.238 0.000 0.795 620 G HN 0.045 nan 8.290 nan 0.000 0.513 621 F N 0.065 119.969 119.950 -0.077 0.000 2.480 621 F HA 0.584 5.111 4.527 0.000 0.000 0.329 621 F C 0.840 176.443 175.800 -0.328 0.000 1.091 621 F CA -0.766 57.062 58.000 -0.287 0.000 0.972 621 F CB 2.042 40.730 39.000 -0.520 0.000 1.150 621 F HN 0.568 nan 8.300 nan 0.000 0.467 622 C N 4.365 123.616 119.300 -0.082 0.000 2.435 622 C HA 0.602 5.062 4.460 0.000 0.000 0.375 622 C C -0.721 174.176 174.990 -0.155 0.000 1.281 622 C CA -0.668 58.334 59.018 -0.028 0.000 1.963 622 C CB -1.238 26.533 27.740 0.052 0.000 2.490 622 C HN 0.691 nan 8.230 nan 0.000 0.557 623 Y N 3.658 124.023 120.300 0.109 0.000 2.409 623 Y HA 0.660 5.210 4.550 0.000 0.000 0.339 623 Y C 0.497 176.398 175.900 0.001 0.000 1.033 623 Y CA -0.305 57.813 58.100 0.030 0.000 1.094 623 Y CB 1.780 40.165 38.460 -0.126 0.000 1.210 623 Y HN 0.962 nan 8.280 nan 0.000 0.456 624 A N 1.585 124.493 122.820 0.147 0.000 2.422 624 A HA 0.905 5.226 4.320 0.000 0.000 0.302 624 A C -1.451 176.163 177.584 0.051 0.000 1.041 624 A CA -0.627 51.464 52.037 0.090 0.000 0.708 624 A CB 0.996 20.051 19.000 0.092 0.000 1.257 624 A HN 0.833 nan 8.150 nan 0.000 0.414 625 A N 1.920 124.759 122.820 0.031 0.000 2.342 625 A HA 0.779 5.099 4.320 0.000 0.000 0.323 625 A C -0.520 177.095 177.584 0.051 0.000 1.125 625 A CA -0.494 51.548 52.037 0.007 0.000 0.785 625 A CB 0.918 19.890 19.000 -0.047 0.000 1.221 625 A HN 1.192 nan 8.150 nan 0.000 0.463 626 Q N 0.887 120.726 119.800 0.064 0.000 2.379 626 Q HA 0.735 5.075 4.340 0.000 0.000 0.278 626 Q C -1.931 174.149 176.000 0.134 0.000 1.068 626 Q CA -0.870 55.010 55.803 0.129 0.000 0.816 626 Q CB 2.088 30.924 28.738 0.164 0.000 1.387 626 Q HN 0.382 nan 8.270 nan 0.000 0.413 627 V N 2.033 122.096 119.914 0.249 0.000 2.495 627 V HA 0.531 4.651 4.120 0.000 0.000 0.298 627 V C -0.622 175.737 176.094 0.442 0.000 1.031 627 V CA -0.658 61.840 62.300 0.329 0.000 0.871 627 V CB 1.857 33.899 31.823 0.365 0.000 0.988 627 V HN 0.692 nan 8.190 nan 0.000 0.432 628 V N 4.040 124.148 119.914 0.323 0.000 2.540 628 V HA 0.475 4.595 4.120 0.000 0.000 0.302 628 V C -0.221 176.056 176.094 0.305 0.000 1.035 628 V CA -0.638 61.807 62.300 0.242 0.000 0.873 628 V CB 1.863 33.630 31.823 -0.093 0.000 0.992 628 V HN 0.956 nan 8.190 nan 0.000 0.428 629 E N 3.100 123.518 120.200 0.362 0.000 2.151 629 E HA 0.771 5.121 4.350 0.000 0.000 0.275 629 E C -0.639 176.125 176.600 0.275 0.000 0.936 629 E CA -0.378 56.226 56.400 0.340 0.000 0.777 629 E CB 1.703 31.676 29.700 0.456 0.000 1.108 629 E HN 0.907 nan 8.360 nan 0.000 0.401 630 A N 2.852 125.813 122.820 0.235 0.000 2.566 630 A HA 0.738 5.058 4.320 0.000 0.000 0.292 630 A C -1.063 176.661 177.584 0.233 0.000 1.112 630 A CA -0.540 51.621 52.037 0.206 0.000 0.707 630 A CB 1.820 20.874 19.000 0.090 0.000 1.302 630 A HN 0.650 nan 8.150 nan 0.000 0.409 631 S N -0.839 114.983 115.700 0.204 0.000 2.632 631 S HA 0.845 5.315 4.470 0.000 0.000 0.289 631 S C -1.192 173.458 174.600 0.083 0.000 1.115 631 S CA -0.663 57.642 58.200 0.175 0.000 0.889 631 S CB 1.522 64.900 63.200 0.295 0.000 1.116 631 S HN 1.305 nan 8.310 nan 0.000 0.486 632 V N 1.652 121.598 119.914 0.053 0.000 2.638 632 V HA 0.469 4.589 4.120 0.000 0.000 0.306 632 V C -1.119 174.987 176.094 0.019 0.000 1.052 632 V CA -0.671 61.642 62.300 0.022 0.000 0.885 632 V CB 1.830 33.653 31.823 -0.000 0.000 0.999 632 V HN 1.033 nan 8.190 nan 0.000 0.424 633 D N 3.177 123.586 120.400 0.015 0.000 2.347 633 D HA 0.201 4.841 4.640 0.000 0.000 0.235 633 D C 0.943 177.243 176.300 -0.000 0.000 1.149 633 D CA -0.057 53.950 54.000 0.011 0.000 0.850 633 D CB 1.552 42.360 40.800 0.013 0.000 1.061 633 D HN 0.662 nan 8.370 nan 0.000 0.487 634 E N 2.826 123.024 120.200 -0.004 0.000 2.347 634 E HA -0.072 4.278 4.350 0.000 0.000 0.196 634 E C 1.718 178.313 176.600 -0.009 0.000 1.008 634 E CA 0.424 56.818 56.400 -0.010 0.000 0.852 634 E CB 0.472 30.163 29.700 -0.015 0.000 0.783 634 E HN 0.646 nan 8.360 nan 0.000 0.505 635 I N 0.740 121.307 120.570 -0.005 0.000 2.353 635 I HA -0.189 3.981 4.170 0.000 0.000 0.248 635 I C 2.513 178.627 176.117 -0.005 0.000 1.119 635 I CA 1.495 62.792 61.300 -0.005 0.000 1.417 635 I CB -0.179 37.820 38.000 -0.002 0.000 1.078 635 I HN 0.192 nan 8.210 nan 0.000 0.421 636 T N -3.273 111.279 114.554 -0.004 0.000 2.990 636 T HA 0.304 4.654 4.350 0.000 0.000 0.250 636 T C 1.550 176.245 174.700 -0.009 0.000 1.041 636 T CA 0.508 62.605 62.100 -0.005 0.000 1.010 636 T CB 0.846 69.713 68.868 -0.003 0.000 1.003 636 T HN 0.451 nan 8.240 nan 0.000 0.499 637 G N 1.622 110.416 108.800 -0.009 0.000 2.179 637 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 637 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 637 G C -0.002 174.890 174.900 -0.013 0.000 0.977 637 G CA 0.334 45.425 45.100 -0.014 0.000 0.641 637 G HN 0.868 nan 8.290 nan 0.000 0.533 638 K N 0.686 121.082 120.400 -0.007 0.000 2.368 638 K HA 0.509 4.829 4.320 0.000 0.000 0.282 638 K C 0.394 176.992 176.600 -0.003 0.000 1.035 638 K CA -0.378 55.905 56.287 -0.006 0.000 0.973 638 K CB 0.798 33.296 32.500 -0.004 0.000 0.957 638 K HN 0.066 nan 8.250 nan 0.000 0.474 639 V N 4.254 124.165 119.914 -0.004 0.000 2.439 639 V HA 0.251 4.371 4.120 0.000 0.000 0.282 639 V C -0.277 175.807 176.094 -0.016 0.000 1.039 639 V CA -0.559 61.741 62.300 0.000 0.000 0.913 639 V CB 1.617 33.449 31.823 0.014 0.000 0.983 639 V HN 0.866 nan 8.190 nan 0.000 0.460 640 T N 4.371 118.889 114.554 -0.060 0.000 2.786 640 T HA 0.613 4.963 4.350 0.000 0.000 0.283 640 T C 0.048 174.580 174.700 -0.279 0.000 0.992 640 T CA -0.262 61.732 62.100 -0.176 0.000 0.954 640 T CB 1.460 70.165 68.868 -0.271 0.000 0.934 640 T HN 0.877 nan 8.240 nan 0.000 0.440 641 A N 2.925 125.662 122.820 -0.137 0.000 2.309 641 A HA 0.428 4.748 4.320 0.000 0.000 0.290 641 A C 0.795 178.291 177.584 -0.147 0.000 1.206 641 A CA -0.339 51.690 52.037 -0.012 0.000 0.850 641 A CB 0.139 19.304 19.000 0.275 0.000 1.118 641 A HN 0.989 nan 8.150 nan 0.000 0.523 642 H N 1.605 120.735 119.070 0.100 0.000 2.388 642 H HA 0.214 4.770 4.556 0.000 0.000 0.304 642 H C 0.440 175.761 175.328 -0.012 0.000 1.049 642 H CA 1.152 57.230 56.048 0.050 0.000 1.371 642 H CB 0.486 30.281 29.762 0.055 0.000 1.436 642 H HN 0.691 nan 8.280 nan 0.000 0.544 643 K N 0.358 120.794 120.400 0.061 0.000 2.546 643 K HA 0.435 4.756 4.320 0.000 0.000 0.264 643 K C -1.891 174.552 176.600 -0.261 0.000 0.937 643 K CA -0.457 55.694 56.287 -0.226 0.000 0.833 643 K CB 2.647 34.820 32.500 -0.545 0.000 1.378 643 K HN -0.175 nan 8.250 nan 0.000 0.432 644 V N 2.779 122.503 119.914 -0.317 0.000 2.588 644 V HA 0.531 4.652 4.120 0.000 0.000 0.304 644 V C -1.040 174.928 176.094 -0.210 0.000 1.042 644 V CA -0.707 61.550 62.300 -0.072 0.000 0.877 644 V CB 1.624 33.547 31.823 0.166 0.000 0.996 644 V HN 0.657 nan 8.190 nan 0.000 0.425 645 W N 3.886 125.265 121.300 0.131 0.000 2.417 645 W HA 0.706 5.366 4.660 0.000 0.000 0.315 645 W C -0.741 175.832 176.519 0.090 0.000 1.045 645 W CA -0.630 56.776 57.345 0.101 0.000 1.221 645 W CB 1.991 31.508 29.460 0.094 0.000 1.309 645 W HN 0.405 nan 8.180 nan 0.000 0.453 646 V N 3.634 123.693 119.914 0.241 0.000 2.577 646 V HA 0.799 4.919 4.120 0.000 0.000 0.303 646 V C -0.827 175.346 176.094 0.132 0.000 1.042 646 V CA -0.524 61.879 62.300 0.172 0.000 0.872 646 V CB 1.496 33.407 31.823 0.145 0.000 0.998 646 V HN 0.526 nan 8.190 nan 0.000 0.423 647 A N 5.740 128.621 122.820 0.102 0.000 2.303 647 A HA 0.815 5.135 4.320 0.000 0.000 0.320 647 A C -0.905 176.717 177.584 0.063 0.000 1.192 647 A CA -0.486 51.594 52.037 0.072 0.000 0.821 647 A CB 1.621 20.648 19.000 0.045 0.000 1.188 647 A HN 1.417 nan 8.150 nan 0.000 0.492 648 V N 2.855 122.808 119.914 0.065 0.000 2.487 648 V HA 0.463 4.583 4.120 0.000 0.000 0.298 648 V C -1.160 174.978 176.094 0.073 0.000 1.028 648 V CA -0.599 61.744 62.300 0.073 0.000 0.860 648 V CB 1.757 33.625 31.823 0.075 0.000 0.991 648 V HN 0.950 nan 8.190 nan 0.000 0.427 649 D N 4.843 125.301 120.400 0.096 0.000 2.380 649 D HA 0.237 4.877 4.640 0.000 0.000 0.230 649 D C 0.562 176.935 176.300 0.123 0.000 1.154 649 D CA 0.079 54.144 54.000 0.109 0.000 0.859 649 D CB 1.480 42.372 40.800 0.153 0.000 1.045 649 D HN 0.476 nan 8.370 nan 0.000 0.495 650 V N 1.871 121.841 119.914 0.094 0.000 3.214 650 V HA 0.529 4.649 4.120 0.000 0.000 0.330 650 V C 1.426 177.572 176.094 0.086 0.000 1.403 650 V CA 0.436 62.787 62.300 0.086 0.000 1.143 650 V CB -0.111 31.750 31.823 0.063 0.000 1.098 650 V HN 0.686 nan 8.190 nan 0.000 0.463 651 G N 1.404 110.263 108.800 0.098 0.000 4.039 651 G HA2 -0.358 3.602 3.960 0.000 0.000 0.220 651 G HA3 -0.358 3.602 3.960 0.000 0.000 0.220 651 G C 0.237 175.174 174.900 0.062 0.000 1.391 651 G CA 0.780 45.935 45.100 0.091 0.000 0.920 651 G HN 1.115 nan 8.290 nan 0.000 0.599 652 K N 0.231 120.660 120.400 0.047 0.000 2.589 652 K HA 0.714 5.034 4.320 0.000 0.000 0.253 652 K C -0.436 176.178 176.600 0.024 0.000 0.974 652 K CA 0.536 56.844 56.287 0.036 0.000 0.835 652 K CB 1.269 33.796 32.500 0.046 0.000 1.272 652 K HN 1.344 nan 8.250 nan 0.000 0.444 653 A N 5.798 128.627 122.820 0.014 0.000 2.376 653 A HA 0.318 4.638 4.320 0.000 0.000 0.298 653 A C 0.724 178.297 177.584 -0.018 0.000 1.271 653 A CA -0.382 51.658 52.037 0.005 0.000 0.926 653 A CB -0.388 18.616 19.000 0.007 0.000 1.141 653 A HN 0.861 nan 8.150 nan 0.000 0.539 654 L N 1.529 122.739 121.223 -0.022 0.000 2.056 654 L HA -0.040 4.300 4.340 0.000 0.000 0.207 654 L C 0.998 177.833 176.870 -0.059 0.000 1.078 654 L CA 0.897 55.706 54.840 -0.052 0.000 0.749 654 L CB -0.146 41.889 42.059 -0.040 0.000 0.901 654 L HN 0.750 nan 8.230 nan 0.000 0.433 655 N N -0.755 117.923 118.700 -0.036 0.000 2.664 655 N HA 0.195 4.935 4.740 0.000 0.000 0.257 655 N C -2.154 173.346 175.510 -0.018 0.000 1.108 655 N CA -1.991 51.039 53.050 -0.033 0.000 0.822 655 N CB 1.520 39.990 38.487 -0.029 0.000 1.199 655 N HN -0.249 nan 8.380 nan 0.000 0.529 656 P HA -0.148 nan 4.420 nan 0.000 0.216 656 P C 1.581 178.880 177.300 -0.001 0.000 1.150 656 P CA 0.566 63.663 63.100 -0.005 0.000 0.843 656 P CB 0.439 32.135 31.700 -0.007 0.000 0.787 657 L N -0.234 120.986 121.223 -0.006 0.000 2.017 657 L HA -0.127 4.213 4.340 0.000 0.000 0.208 657 L C 2.203 179.073 176.870 0.001 0.000 1.073 657 L CA 2.264 57.101 54.840 -0.004 0.000 0.745 657 L CB -1.536 40.517 42.059 -0.009 0.000 0.894 657 L HN -0.106 nan 8.230 nan 0.000 0.432 658 A N -1.320 121.500 122.820 -0.000 0.000 1.930 658 A HA -0.097 4.223 4.320 0.000 0.000 0.217 658 A C 2.261 179.854 177.584 0.014 0.000 1.175 658 A CA 1.676 53.717 52.037 0.006 0.000 0.627 658 A CB -1.046 17.956 19.000 0.002 0.000 0.815 658 A HN 0.307 nan 8.150 nan 0.000 0.443 659 V N 0.282 120.204 119.914 0.014 0.000 2.332 659 V HA -0.305 3.815 4.120 0.000 0.000 0.248 659 V C 2.420 178.531 176.094 0.028 0.000 1.055 659 V CA 2.418 64.732 62.300 0.023 0.000 1.038 659 V CB -0.858 30.978 31.823 0.023 0.000 0.651 659 V HN 0.658 nan 8.190 nan 0.000 0.450 660 E N 0.216 120.429 120.200 0.022 0.000 2.051 660 E HA -0.164 4.186 4.350 0.000 0.000 0.192 660 E C 2.339 178.952 176.600 0.021 0.000 0.991 660 E CA 1.332 57.746 56.400 0.023 0.000 0.799 660 E CB -0.561 29.148 29.700 0.015 0.000 0.748 660 E HN 0.639 nan 8.360 nan 0.000 0.449 661 G N 0.816 109.625 108.800 0.015 0.000 2.408 661 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 661 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 661 G C 1.528 176.446 174.900 0.031 0.000 1.150 661 G CA 0.331 45.439 45.100 0.012 0.000 0.776 661 G HN 0.070 nan 8.290 nan 0.000 0.542 662 Q N 0.205 120.030 119.800 0.042 0.000 2.079 662 Q HA -0.076 4.264 4.340 0.000 0.000 0.200 662 Q C 2.805 178.844 176.000 0.066 0.000 0.974 662 Q CA 1.654 57.493 55.803 0.061 0.000 0.840 662 Q CB -0.771 27.998 28.738 0.052 0.000 0.898 662 Q HN 0.425 nan 8.270 nan 0.000 0.430 663 T N 1.446 116.034 114.554 0.056 0.000 2.777 663 T HA -0.140 4.210 4.350 0.000 0.000 0.266 663 T C 1.900 176.642 174.700 0.069 0.000 1.040 663 T CA 1.193 63.331 62.100 0.063 0.000 1.141 663 T CB -0.062 68.843 68.868 0.061 0.000 0.868 663 T HN 0.319 nan 8.240 nan 0.000 0.444 664 Q N 0.259 120.092 119.800 0.055 0.000 2.084 664 Q HA -0.018 4.322 4.340 0.000 0.000 0.202 664 Q C 2.727 178.777 176.000 0.084 0.000 0.978 664 Q CA 1.373 57.207 55.803 0.052 0.000 0.844 664 Q CB -0.438 28.305 28.738 0.008 0.000 0.898 664 Q HN 0.585 nan 8.270 nan 0.000 0.426 665 G N 0.146 108.992 108.800 0.077 0.000 2.422 665 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 665 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 665 G C 1.305 176.309 174.900 0.173 0.000 1.146 665 G CA 0.789 45.965 45.100 0.127 0.000 0.769 665 G HN 0.475 nan 8.290 nan 0.000 0.547 666 G N 0.354 109.222 108.800 0.114 0.000 2.404 666 G HA2 -0.110 3.850 3.960 0.000 0.000 0.215 666 G HA3 -0.110 3.850 3.960 0.000 0.000 0.215 666 G C 1.777 176.703 174.900 0.043 0.000 1.174 666 G CA 1.117 46.258 45.100 0.068 0.000 0.780 666 G HN 0.291 nan 8.290 nan 0.000 0.537 667 V N -0.275 119.681 119.914 0.070 0.000 2.343 667 V HA -0.167 3.953 4.120 0.000 0.000 0.247 667 V C 2.258 178.298 176.094 -0.091 0.000 1.051 667 V CA 1.926 64.255 62.300 0.049 0.000 1.036 667 V CB -0.554 31.339 31.823 0.117 0.000 0.654 667 V HN 0.651 nan 8.190 nan 0.000 0.451 668 W N -0.019 121.160 121.300 -0.202 0.000 2.363 668 W HA -0.221 4.439 4.660 0.000 0.000 0.296 668 W C 2.454 178.808 176.519 -0.275 0.000 1.212 668 W CA 2.110 59.291 57.345 -0.272 0.000 1.260 668 W CB -0.126 29.229 29.460 -0.176 0.000 1.131 668 W HN 0.212 nan 8.180 nan 0.000 0.530 669 M N 0.340 119.823 119.600 -0.195 0.000 2.159 669 M HA -0.035 4.445 4.480 0.000 0.000 0.263 669 M C 2.160 178.208 176.300 -0.420 0.000 1.063 669 M CA 2.402 57.447 55.300 -0.426 0.000 1.110 669 M CB -0.818 31.662 32.600 -0.201 0.000 1.374 669 M HN 0.109 nan 8.290 nan 0.000 0.411 670 G N 0.611 109.232 108.800 -0.298 0.000 2.422 670 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 670 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 670 G C 1.505 176.190 174.900 -0.359 0.000 1.146 670 G CA 0.924 45.895 45.100 -0.215 0.000 0.769 670 G HN 0.507 nan 8.290 nan 0.000 0.547 671 M N 1.650 120.737 119.600 -0.855 0.000 2.159 671 M HA -0.006 4.474 4.480 0.000 0.000 0.263 671 M C 2.503 178.471 176.300 -0.554 0.000 1.063 671 M CA 2.013 56.648 55.300 -1.109 0.000 1.110 671 M CB -0.945 30.776 32.600 -1.466 0.000 1.374 671 M HN 0.210 nan 8.290 nan 0.000 0.411 672 G N 0.136 108.521 108.800 -0.690 0.000 2.418 672 G HA2 -0.299 3.661 3.960 0.000 0.000 0.217 672 G HA3 -0.299 3.661 3.960 0.000 0.000 0.217 672 G C 1.339 176.077 174.900 -0.271 0.000 1.158 672 G CA 0.955 45.735 45.100 -0.533 0.000 0.771 672 G HN 0.694 nan 8.290 nan 0.000 0.545 673 Q N 0.141 119.815 119.800 -0.209 0.000 2.119 673 Q HA 0.052 4.392 4.340 0.000 0.000 0.201 673 Q C 2.716 178.762 176.000 0.077 0.000 0.972 673 Q CA 1.420 57.190 55.803 -0.056 0.000 0.847 673 Q CB -0.288 28.421 28.738 -0.050 0.000 0.903 673 Q HN 0.401 nan 8.270 nan 0.000 0.433 674 A N 0.281 123.172 122.820 0.118 0.000 1.930 674 A HA -0.065 4.255 4.320 0.000 0.000 0.217 674 A C 1.791 179.553 177.584 0.296 0.000 1.175 674 A CA 1.106 53.365 52.037 0.370 0.000 0.627 674 A CB -0.158 19.170 19.000 0.548 0.000 0.815 674 A HN 0.450 nan 8.150 nan 0.000 0.443 675 L N -1.721 119.574 121.223 0.121 0.000 2.609 675 L HA 0.109 4.449 4.340 0.000 0.000 0.230 675 L C 1.948 178.810 176.870 -0.014 0.000 1.064 675 L CA 1.066 55.944 54.840 0.062 0.000 0.873 675 L CB 0.359 42.448 42.059 0.050 0.000 1.139 675 L HN 0.502 nan 8.230 nan 0.000 0.490 676 S N -2.821 112.833 115.700 -0.077 0.000 2.661 676 S HA 0.186 4.656 4.470 0.000 0.000 0.275 676 S C 0.320 174.792 174.600 -0.213 0.000 1.075 676 S CA -0.539 57.587 58.200 -0.123 0.000 1.251 676 S CB 0.434 63.558 63.200 -0.127 0.000 1.167 676 S HN 0.141 nan 8.310 nan 0.000 0.648 677 E N 2.277 122.325 120.200 -0.254 0.000 2.259 677 E HA 0.510 4.860 4.350 0.000 0.000 0.281 677 E C -0.519 175.920 176.600 -0.268 0.000 1.027 677 E CA -0.205 55.921 56.400 -0.456 0.000 0.838 677 E CB 0.812 30.287 29.700 -0.376 0.000 1.066 677 E HN 0.664 nan 8.360 nan 0.000 0.401 678 E N 0.785 120.776 120.200 -0.349 0.000 2.422 678 E HA 0.202 4.552 4.350 0.000 0.000 0.289 678 E C -1.086 175.467 176.600 -0.079 0.000 0.985 678 E CA -0.911 55.448 56.400 -0.069 0.000 0.812 678 E CB 0.923 30.615 29.700 -0.014 0.000 1.226 678 E HN 0.411 nan 8.360 nan 0.000 0.419 679 T N -0.620 113.878 114.554 -0.092 0.000 2.874 679 T HA 0.629 4.979 4.350 0.000 0.000 0.281 679 T C 0.017 174.528 174.700 -0.314 0.000 0.994 679 T CA -0.590 61.136 62.100 -0.622 0.000 1.015 679 T CB 1.264 69.668 68.868 -0.773 0.000 1.028 679 T HN 0.358 nan 8.240 nan 0.000 0.523 680 V N 1.902 121.629 119.914 -0.312 0.000 2.711 680 V HA 0.427 4.547 4.120 0.000 0.000 0.304 680 V C -1.549 174.367 176.094 -0.297 0.000 1.097 680 V CA -1.007 61.207 62.300 -0.142 0.000 0.906 680 V CB 1.325 33.119 31.823 -0.048 0.000 1.015 680 V HN 0.950 nan 8.190 nan 0.000 0.427 681 Y N 1.814 122.161 120.300 0.078 0.000 2.509 681 Y HA 0.716 5.266 4.550 0.000 0.000 0.341 681 Y C -0.177 175.735 175.900 0.020 0.000 1.038 681 Y CA -0.803 57.330 58.100 0.054 0.000 1.089 681 Y CB 2.067 40.552 38.460 0.043 0.000 1.241 681 Y HN 0.646 nan 8.280 nan 0.000 0.468 682 D N 2.457 122.954 120.400 0.161 0.000 2.421 682 D HA 0.204 4.844 4.640 0.000 0.000 0.254 682 D C -0.819 175.526 176.300 0.076 0.000 1.238 682 D CA -0.488 53.562 54.000 0.083 0.000 0.919 682 D CB 0.133 40.957 40.800 0.040 0.000 1.152 682 D HN 0.631 nan 8.370 nan 0.000 0.552 683 N N 3.359 122.092 118.700 0.056 0.000 2.714 683 N HA -0.226 4.514 4.740 0.000 0.000 0.252 683 N C 0.994 176.525 175.510 0.035 0.000 1.014 683 N CA 1.349 54.415 53.050 0.026 0.000 0.735 683 N CB -0.933 37.560 38.487 0.011 0.000 0.924 683 N HN 0.922 nan 8.380 nan 0.000 0.540 684 G N -0.758 108.081 108.800 0.064 0.000 2.284 684 G HA2 -0.362 3.598 3.960 0.000 0.000 0.247 684 G HA3 -0.362 3.598 3.960 0.000 0.000 0.247 684 G C 0.176 175.172 174.900 0.161 0.000 1.012 684 G CA 0.487 45.629 45.100 0.070 0.000 0.618 684 G HN 0.531 nan 8.290 nan 0.000 0.521 685 R N 0.498 121.086 120.500 0.146 0.000 2.340 685 R HA 0.518 4.858 4.340 0.000 0.000 0.300 685 R C 0.735 177.132 176.300 0.161 0.000 1.069 685 R CA -0.365 55.809 56.100 0.123 0.000 0.984 685 R CB 0.885 31.212 30.300 0.045 0.000 1.003 685 R HN 0.420 nan 8.270 nan 0.000 0.459 686 M N 3.668 123.326 119.600 0.097 0.000 2.200 686 M HA 0.042 4.522 4.480 0.000 0.000 0.355 686 M C 0.019 176.165 176.300 -0.257 0.000 1.283 686 M CA 0.101 55.292 55.300 -0.182 0.000 1.124 686 M CB 1.001 33.467 32.600 -0.223 0.000 1.625 686 M HN 0.461 nan 8.290 nan 0.000 0.463 687 V N 4.285 124.026 119.914 -0.287 0.000 3.431 687 V HA -0.040 4.080 4.120 0.000 0.000 0.253 687 V C 1.632 177.595 176.094 -0.218 0.000 1.184 687 V CA 0.684 62.877 62.300 -0.178 0.000 1.104 687 V CB -0.747 31.023 31.823 -0.087 0.000 0.799 687 V HN 0.950 nan 8.190 nan 0.000 0.462 688 H N -0.009 118.879 119.070 -0.303 0.000 2.519 688 H HA 0.257 4.813 4.556 0.000 0.000 0.289 688 H C 1.426 176.397 175.328 -0.596 0.000 1.040 688 H CA 0.394 56.242 56.048 -0.333 0.000 1.165 688 H CB -0.075 29.520 29.762 -0.277 0.000 1.462 688 H HN 0.318 nan 8.280 nan 0.000 0.555 689 G N 1.761 110.078 108.800 -0.804 0.000 3.352 689 G HA2 0.009 3.969 3.960 0.000 0.000 0.236 689 G HA3 0.009 3.969 3.960 0.000 0.000 0.236 689 G C -0.238 174.489 174.900 -0.287 0.000 1.324 689 G CA -0.124 44.543 45.100 -0.722 0.000 1.404 689 G HN 0.692 nan 8.290 nan 0.000 0.542 690 N N -1.797 116.748 118.700 -0.257 0.000 2.927 690 N HA 0.312 5.052 4.740 0.000 0.000 0.248 690 N C 0.056 175.711 175.510 0.241 0.000 1.443 690 N CA -1.052 52.072 53.050 0.123 0.000 0.870 690 N CB 0.669 39.185 38.487 0.049 0.000 1.444 690 N HN -0.125 nan 8.380 nan 0.000 0.519 691 I N 0.100 120.845 120.570 0.292 0.000 3.858 691 I HA 0.183 4.353 4.170 0.000 0.000 0.325 691 I C 0.558 176.786 176.117 0.185 0.000 1.403 691 I CA -0.027 61.460 61.300 0.310 0.000 1.169 691 I CB -0.276 37.885 38.000 0.267 0.000 1.077 691 I HN 0.453 nan 8.210 nan 0.000 0.403 692 L N 0.715 122.012 121.223 0.124 0.000 2.347 692 L HA 0.211 4.551 4.340 0.000 0.000 0.196 692 L C 1.539 178.438 176.870 0.049 0.000 1.072 692 L CA 1.827 56.710 54.840 0.071 0.000 0.817 692 L CB -0.099 41.989 42.059 0.047 0.000 1.029 692 L HN -0.006 nan 8.230 nan 0.000 0.478 693 D N -1.463 118.961 120.400 0.039 0.000 2.348 693 D HA -0.034 4.606 4.640 0.000 0.000 0.211 693 D C -0.340 175.974 176.300 0.023 0.000 0.998 693 D CA 0.475 54.482 54.000 0.011 0.000 0.873 693 D CB 0.095 40.889 40.800 -0.010 0.000 0.925 693 D HN 0.290 nan 8.370 nan 0.000 0.524 694 Y N 1.665 121.956 120.300 -0.015 0.000 2.504 694 Y HA 0.277 4.827 4.550 0.000 0.000 0.339 694 Y C -0.022 175.918 175.900 0.066 0.000 0.974 694 Y CA -0.873 57.236 58.100 0.015 0.000 1.232 694 Y CB 0.312 38.798 38.460 0.044 0.000 1.108 694 Y HN -0.350 nan 8.280 nan 0.000 0.509 695 R N 5.491 125.786 120.500 -0.341 0.000 3.710 695 R HA 0.196 4.536 4.340 0.000 0.000 0.201 695 R C -0.613 175.592 176.300 -0.157 0.000 1.641 695 R CA -0.336 55.659 56.100 -0.175 0.000 1.390 695 R CB -0.227 29.981 30.300 -0.153 0.000 1.341 695 R HN 0.390 nan 8.270 nan 0.000 0.728 696 V N 3.916 123.841 119.914 0.018 0.000 2.599 696 V HA 0.009 4.129 4.120 0.000 0.000 0.300 696 V C -1.654 174.485 176.094 0.075 0.000 1.034 696 V CA -1.057 61.287 62.300 0.073 0.000 1.115 696 V CB 0.447 32.411 31.823 0.235 0.000 0.934 696 V HN 0.402 nan 8.190 nan 0.000 0.485 697 P HA 0.143 nan 4.420 nan 0.000 0.268 697 P C 0.118 177.585 177.300 0.279 0.000 1.205 697 P CA 0.055 63.233 63.100 0.129 0.000 0.771 697 P CB 0.320 32.060 31.700 0.067 0.000 0.858 698 T N -0.241 114.410 114.554 0.163 0.000 2.847 698 T HA 0.229 4.579 4.350 0.000 0.000 0.279 698 T C 1.208 175.980 174.700 0.120 0.000 0.984 698 T CA -0.657 61.518 62.100 0.125 0.000 0.988 698 T CB 0.360 69.271 68.868 0.071 0.000 1.040 698 T HN 0.322 nan 8.240 nan 0.000 0.528 699 I N 0.903 121.505 120.570 0.053 0.000 2.614 699 I HA -0.088 4.082 4.170 0.000 0.000 0.258 699 I C 1.882 178.018 176.117 0.031 0.000 1.189 699 I CA 0.941 62.250 61.300 0.015 0.000 1.462 699 I CB -0.120 37.862 38.000 -0.029 0.000 1.092 699 I HN 0.577 nan 8.210 nan 0.000 0.442 700 V N 1.997 121.933 119.914 0.037 0.000 2.307 700 V HA -0.219 3.901 4.120 0.000 0.000 0.245 700 V C 2.455 178.571 176.094 0.037 0.000 1.045 700 V CA 2.180 64.499 62.300 0.032 0.000 1.024 700 V CB -0.820 31.020 31.823 0.028 0.000 0.651 700 V HN 0.602 nan 8.190 nan 0.000 0.449 701 E N 0.145 120.372 120.200 0.045 0.000 2.478 701 E HA 0.026 4.376 4.350 0.000 0.000 0.194 701 E C 0.831 177.460 176.600 0.049 0.000 1.045 701 E CA 0.117 56.536 56.400 0.032 0.000 0.868 701 E CB 0.021 29.732 29.700 0.018 0.000 0.885 701 E HN 0.478 nan 8.360 nan 0.000 0.505 702 S N 4.001 119.760 115.700 0.099 0.000 2.549 702 S HA 0.208 4.678 4.470 0.000 0.000 0.283 702 S C -1.969 172.685 174.600 0.090 0.000 1.320 702 S CA -0.858 57.436 58.200 0.157 0.000 1.058 702 S CB 0.797 64.151 63.200 0.255 0.000 0.882 702 S HN 0.279 nan 8.310 nan 0.000 0.498 703 P HA 0.210 nan 4.420 nan 0.000 0.276 703 P C -0.661 176.654 177.300 0.025 0.000 1.252 703 P CA -0.493 62.642 63.100 0.060 0.000 0.802 703 P CB 0.526 32.284 31.700 0.097 0.000 1.035 704 D N 0.431 120.821 120.400 -0.017 0.000 2.341 704 D HA 0.322 4.962 4.640 0.000 0.000 0.245 704 D C -0.537 175.702 176.300 -0.102 0.000 1.106 704 D CA 0.008 53.971 54.000 -0.061 0.000 0.905 704 D CB 0.098 40.845 40.800 -0.088 0.000 1.202 704 D HN 0.195 nan 8.370 nan 0.000 0.426 705 I N 2.270 122.786 120.570 -0.091 0.000 2.500 705 I HA 0.196 4.366 4.170 0.000 0.000 0.286 705 I C -0.346 175.720 176.117 -0.085 0.000 1.063 705 I CA -0.751 60.499 61.300 -0.083 0.000 1.062 705 I CB 1.947 39.947 38.000 0.001 0.000 1.223 705 I HN 0.343 nan 8.210 nan 0.000 0.435 706 E N 6.400 126.522 120.200 -0.129 0.000 2.134 706 E HA 0.531 4.881 4.350 0.000 0.000 0.278 706 E C -1.518 175.107 176.600 0.042 0.000 0.959 706 E CA -0.591 55.781 56.400 -0.046 0.000 0.783 706 E CB 1.739 31.399 29.700 -0.067 0.000 1.095 706 E HN 0.363 nan 8.360 nan 0.000 0.399 707 V N 6.386 126.332 119.914 0.052 0.000 2.435 707 V HA 0.387 4.507 4.120 0.000 0.000 0.290 707 V C 0.024 176.164 176.094 0.077 0.000 1.030 707 V CA -0.596 61.745 62.300 0.069 0.000 0.881 707 V CB 1.321 33.175 31.823 0.051 0.000 0.983 707 V HN 0.652 nan 8.190 nan 0.000 0.445 708 I N 5.600 126.222 120.570 0.087 0.000 2.389 708 I HA 0.459 4.629 4.170 0.000 0.000 0.288 708 I C -0.390 175.762 176.117 0.059 0.000 0.999 708 I CA -0.301 61.044 61.300 0.075 0.000 1.129 708 I CB 1.734 39.787 38.000 0.088 0.000 1.288 708 I HN 0.432 nan 8.210 nan 0.000 0.444 709 I N 6.742 127.340 120.570 0.047 0.000 2.365 709 I HA 0.295 4.465 4.170 0.000 0.000 0.291 709 I C -0.331 175.808 176.117 0.036 0.000 1.004 709 I CA -0.562 60.762 61.300 0.041 0.000 1.311 709 I CB 1.369 39.389 38.000 0.033 0.000 1.401 709 I HN 0.206 nan 8.210 nan 0.000 0.491 710 V N 6.406 126.342 119.914 0.038 0.000 2.513 710 V HA 0.301 4.421 4.120 0.000 0.000 0.299 710 V C -0.176 175.943 176.094 0.041 0.000 1.035 710 V CA -0.596 61.723 62.300 0.031 0.000 0.889 710 V CB 1.748 33.583 31.823 0.020 0.000 0.988 710 V HN 0.690 nan 8.190 nan 0.000 0.440 711 E N 2.264 122.487 120.200 0.037 0.000 2.489 711 E HA 0.170 4.520 4.350 0.000 0.000 0.232 711 E C 0.633 177.264 176.600 0.052 0.000 0.990 711 E CA -0.092 56.336 56.400 0.046 0.000 0.768 711 E CB 1.154 30.875 29.700 0.036 0.000 1.270 711 E HN 0.811 nan 8.360 nan 0.000 0.423 712 S N 2.290 118.032 115.700 0.070 0.000 2.507 712 S HA -0.108 4.362 4.470 0.000 0.000 0.235 712 S C 1.042 175.694 174.600 0.086 0.000 0.988 712 S CA -0.050 58.199 58.200 0.081 0.000 0.944 712 S CB -0.204 63.066 63.200 0.116 0.000 0.762 712 S HN 0.546 nan 8.310 nan 0.000 0.526 713 M N 2.170 121.816 119.600 0.078 0.000 3.844 713 M HA -0.119 4.361 4.480 0.000 0.000 0.160 713 M C -0.436 175.911 176.300 0.079 0.000 1.495 713 M CA 0.354 55.694 55.300 0.066 0.000 1.034 713 M CB -2.141 30.491 32.600 0.053 0.000 1.329 713 M HN 0.570 nan 8.290 nan 0.000 0.375 714 D N 5.439 125.892 120.400 0.089 0.000 2.425 714 D HA 0.169 4.809 4.640 0.000 0.000 0.247 714 D C -1.178 175.162 176.300 0.066 0.000 1.147 714 D CA -0.993 53.077 54.000 0.117 0.000 0.879 714 D CB 1.292 42.200 40.800 0.180 0.000 1.179 714 D HN 0.305 nan 8.370 nan 0.000 0.456 715 P HA -0.079 nan 4.420 nan 0.000 0.225 715 P C 0.369 177.679 177.300 0.016 0.000 1.148 715 P CA 0.785 63.916 63.100 0.051 0.000 0.779 715 P CB 0.536 32.288 31.700 0.087 0.000 0.780 716 N N -0.841 117.879 118.700 0.034 0.000 2.181 716 N HA 0.086 4.826 4.740 0.000 0.000 0.207 716 N C 1.173 176.524 175.510 -0.266 0.000 1.182 716 N CA 0.189 53.240 53.050 0.002 0.000 0.893 716 N CB 0.547 39.093 38.487 0.098 0.000 1.032 716 N HN 0.101 nan 8.380 nan 0.000 0.513 717 G N 2.166 110.726 108.800 -0.399 0.000 2.572 717 G HA2 0.263 4.223 3.960 0.000 0.000 0.261 717 G HA3 0.263 4.223 3.960 0.000 0.000 0.261 717 G C -2.528 171.956 174.900 -0.694 0.000 1.197 717 G CA -0.805 43.659 45.100 -1.061 0.000 0.870 717 G HN -0.082 nan 8.290 nan 0.000 0.548 718 P HA 0.132 nan 4.420 nan 0.000 0.269 718 P C -0.371 176.816 177.300 -0.189 0.000 1.252 718 P CA 0.012 62.843 63.100 -0.448 0.000 0.780 718 P CB 0.072 31.566 31.700 -0.343 0.000 0.829 719 F N 3.043 122.879 119.950 -0.190 0.000 3.069 719 F HA -0.225 4.302 4.527 0.000 0.000 0.285 719 F C 1.512 177.246 175.800 -0.110 0.000 0.827 719 F CA 1.667 59.593 58.000 -0.124 0.000 1.108 719 F CB -2.419 36.520 39.000 -0.103 0.000 1.252 719 F HN 0.647 nan 8.300 nan 0.000 0.483 720 G N -1.418 107.343 108.800 -0.065 0.000 2.175 720 G HA2 0.108 4.068 3.960 0.000 0.000 0.244 720 G HA3 0.108 4.068 3.960 0.000 0.000 0.244 720 G C 0.326 175.207 174.900 -0.032 0.000 0.982 720 G CA -0.010 45.067 45.100 -0.038 0.000 0.641 720 G HN 1.519 nan 8.290 nan 0.000 0.527 721 A N -0.189 122.581 122.820 -0.083 0.000 2.351 721 A HA 0.755 5.075 4.320 0.000 0.000 0.257 721 A C 0.558 178.127 177.584 -0.025 0.000 1.087 721 A CA 0.639 52.646 52.037 -0.050 0.000 0.798 721 A CB 0.628 19.594 19.000 -0.057 0.000 1.033 721 A HN 0.440 nan 8.150 nan 0.000 0.488 722 K N -0.247 120.208 120.400 0.092 0.000 2.261 722 K HA 0.406 4.726 4.320 0.000 0.000 0.242 722 K C -0.395 176.284 176.600 0.131 0.000 1.083 722 K CA -0.699 55.710 56.287 0.203 0.000 0.880 722 K CB 1.041 33.647 32.500 0.177 0.000 1.353 722 K HN 0.877 nan 8.250 nan 0.000 0.486 723 E N -0.313 119.955 120.200 0.114 0.000 2.391 723 E HA 0.311 4.661 4.350 0.000 0.000 0.255 723 E C -0.467 176.176 176.600 0.071 0.000 1.187 723 E CA -0.297 56.152 56.400 0.082 0.000 0.941 723 E CB 0.761 30.507 29.700 0.077 0.000 1.010 723 E HN 0.548 nan 8.360 nan 0.000 0.458 724 A N 0.627 123.483 122.820 0.060 0.000 2.524 724 A HA 0.264 4.584 4.320 0.000 0.000 0.267 724 A C 0.534 178.149 177.584 0.053 0.000 0.881 724 A CA 0.148 52.219 52.037 0.056 0.000 1.077 724 A CB -0.380 18.648 19.000 0.046 0.000 1.220 724 A HN 0.635 nan 8.150 nan 0.000 0.488 725 S N -1.889 113.842 115.700 0.051 0.000 2.648 725 S HA 0.215 4.685 4.470 0.000 0.000 0.270 725 S C 0.775 175.381 174.600 0.010 0.000 1.080 725 S CA 0.445 58.670 58.200 0.042 0.000 1.159 725 S CB 0.022 63.248 63.200 0.043 0.000 1.091 725 S HN 0.319 nan 8.310 nan 0.000 0.605 726 E N 0.936 121.127 120.200 -0.015 0.000 2.421 726 E HA 0.231 4.581 4.350 0.000 0.000 0.209 726 E C 1.773 178.321 176.600 -0.087 0.000 0.871 726 E CA 0.406 56.712 56.400 -0.157 0.000 1.064 726 E CB 0.090 29.509 29.700 -0.469 0.000 1.075 726 E HN 0.532 nan 8.360 nan 0.000 0.513 727 G N 2.052 110.888 108.800 0.059 0.000 2.559 727 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 727 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 727 G C 1.589 176.536 174.900 0.078 0.000 1.126 727 G CA 0.731 45.896 45.100 0.109 0.000 0.778 727 G HN 0.150 nan 8.290 nan 0.000 0.543 728 M N -0.286 119.347 119.600 0.055 0.000 2.382 728 M HA 0.386 4.866 4.480 0.000 0.000 0.247 728 M C 1.819 178.157 176.300 0.063 0.000 1.104 728 M CA 0.334 55.676 55.300 0.071 0.000 1.030 728 M CB -0.640 32.009 32.600 0.081 0.000 1.424 728 M HN 0.159 nan 8.290 nan 0.000 0.486 729 L N 1.596 122.827 121.223 0.014 0.000 2.072 729 L HA 0.029 4.369 4.340 0.000 0.000 0.205 729 L C 2.570 179.450 176.870 0.017 0.000 1.079 729 L CA 1.563 56.402 54.840 -0.002 0.000 0.752 729 L CB -0.325 41.690 42.059 -0.073 0.000 0.906 729 L HN 0.364 nan 8.230 nan 0.000 0.436 730 A N -0.211 122.603 122.820 -0.011 0.000 1.969 730 A HA -0.097 4.223 4.320 0.000 0.000 0.218 730 A C 2.245 179.844 177.584 0.026 0.000 1.169 730 A CA 1.306 53.327 52.037 -0.028 0.000 0.635 730 A CB -1.339 17.627 19.000 -0.057 0.000 0.810 730 A HN 0.547 nan 8.150 nan 0.000 0.445 731 G N -1.527 107.314 108.800 0.069 0.000 2.470 731 G HA2 -0.225 3.735 3.960 0.000 0.000 0.220 731 G HA3 -0.225 3.735 3.960 0.000 0.000 0.220 731 G C 1.349 176.316 174.900 0.111 0.000 1.121 731 G CA 0.994 46.145 45.100 0.085 0.000 0.766 731 G HN 0.510 nan 8.290 nan 0.000 0.553 732 F N 0.593 120.562 119.950 0.031 0.000 2.186 732 F HA 0.013 4.540 4.527 0.000 0.000 0.299 732 F C 2.310 178.160 175.800 0.084 0.000 1.090 732 F CA 0.770 58.805 58.000 0.059 0.000 1.307 732 F CB 0.022 39.040 39.000 0.031 0.000 1.019 732 F HN 0.051 nan 8.300 nan 0.000 0.489 733 L N 1.157 122.491 121.223 0.185 0.000 1.989 733 L HA -0.169 4.171 4.340 0.000 0.000 0.211 733 L C -0.442 176.545 176.870 0.195 0.000 1.071 733 L CA 2.193 57.116 54.840 0.139 0.000 0.749 733 L CB -2.226 39.681 42.059 -0.254 0.000 0.890 733 L HN 0.084 nan 8.230 nan 0.000 0.431 734 P HA -0.121 nan 4.420 nan 0.000 0.219 734 P C 1.351 178.739 177.300 0.145 0.000 1.150 734 P CA 1.782 64.960 63.100 0.130 0.000 0.814 734 P CB 0.054 31.777 31.700 0.039 0.000 0.787 735 A N 0.314 123.159 122.820 0.041 0.000 1.877 735 A HA -0.145 4.175 4.320 0.000 0.000 0.216 735 A C 2.301 179.872 177.584 -0.021 0.000 1.186 735 A CA 1.372 53.418 52.037 0.014 0.000 0.620 735 A CB -1.651 17.314 19.000 -0.059 0.000 0.822 735 A HN 0.198 nan 8.150 nan 0.000 0.443 736 I N -1.452 119.009 120.570 -0.182 0.000 2.546 736 I HA -0.189 3.981 4.170 0.000 0.000 0.255 736 I C 2.391 178.560 176.117 0.087 0.000 1.163 736 I CA 1.341 62.565 61.300 -0.127 0.000 1.457 736 I CB -0.215 37.625 38.000 -0.267 0.000 1.092 736 I HN 0.579 nan 8.210 nan 0.000 0.434 737 H N 1.035 120.165 119.070 0.101 0.000 2.353 737 H HA -0.251 4.305 4.556 0.000 0.000 0.300 737 H C 1.964 177.369 175.328 0.129 0.000 1.090 737 H CA 2.204 58.331 56.048 0.132 0.000 1.327 737 H CB 0.046 29.950 29.762 0.235 0.000 1.383 737 H HN 0.548 nan 8.280 nan 0.000 0.508 738 E N 0.252 120.622 120.200 0.282 0.000 2.072 738 E HA -0.102 4.248 4.350 0.000 0.000 0.191 738 E C 2.382 179.087 176.600 0.174 0.000 0.985 738 E CA 0.886 57.435 56.400 0.247 0.000 0.801 738 E CB -0.126 29.733 29.700 0.266 0.000 0.750 738 E HN 0.491 nan 8.360 nan 0.000 0.452 739 A N 0.735 123.630 122.820 0.125 0.000 1.908 739 A HA -0.155 4.165 4.320 0.000 0.000 0.218 739 A C 2.420 180.029 177.584 0.042 0.000 1.181 739 A CA 1.575 53.661 52.037 0.082 0.000 0.627 739 A CB -0.775 18.269 19.000 0.074 0.000 0.818 739 A HN 0.244 nan 8.150 nan 0.000 0.445 740 V N -1.411 118.516 119.914 0.021 0.000 2.407 740 V HA -0.267 3.853 4.120 0.000 0.000 0.248 740 V C 2.340 178.423 176.094 -0.019 0.000 1.055 740 V CA 2.100 64.389 62.300 -0.018 0.000 1.049 740 V CB -0.962 30.826 31.823 -0.059 0.000 0.662 740 V HN 0.731 nan 8.190 nan 0.000 0.455 741 Y N 1.272 121.497 120.300 -0.124 0.000 2.145 741 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 741 Y C 2.621 178.489 175.900 -0.053 0.000 1.145 741 Y CA 2.238 60.276 58.100 -0.103 0.000 1.148 741 Y CB -0.289 38.114 38.460 -0.094 0.000 0.981 741 Y HN 0.399 nan 8.280 nan 0.000 0.507 742 E N -0.108 120.005 120.200 -0.144 0.000 2.110 742 E HA -0.202 4.148 4.350 0.000 0.000 0.193 742 E C 2.224 178.707 176.600 -0.194 0.000 0.988 742 E CA 1.120 57.392 56.400 -0.214 0.000 0.804 742 E CB -0.305 29.346 29.700 -0.082 0.000 0.745 742 E HN 0.553 nan 8.360 nan 0.000 0.458 743 A N 0.412 123.161 122.820 -0.117 0.000 1.873 743 A HA -0.103 4.218 4.320 0.000 0.000 0.215 743 A C 2.077 179.597 177.584 -0.105 0.000 1.186 743 A CA 1.877 53.863 52.037 -0.085 0.000 0.616 743 A CB -0.101 18.880 19.000 -0.031 0.000 0.823 743 A HN 0.383 nan 8.150 nan 0.000 0.442 744 V N -5.786 114.054 119.914 -0.124 0.000 3.337 744 V HA 0.593 4.713 4.120 0.000 0.000 0.307 744 V C 1.048 177.060 176.094 -0.136 0.000 1.505 744 V CA 0.525 62.760 62.300 -0.109 0.000 1.072 744 V CB -0.555 31.230 31.823 -0.063 0.000 0.929 744 V HN 1.625 nan 8.190 nan 0.000 0.455 745 G N 1.254 109.906 108.800 -0.247 0.000 2.160 745 G HA2 -0.138 3.822 3.960 0.000 0.000 0.251 745 G HA3 -0.138 3.822 3.960 0.000 0.000 0.251 745 G C 0.079 174.998 174.900 0.031 0.000 1.008 745 G CA 0.680 45.612 45.100 -0.280 0.000 0.724 745 G HN 1.895 nan 8.290 nan 0.000 0.514 746 V N -3.643 116.320 119.914 0.082 0.000 2.715 746 V HA 0.861 4.981 4.120 0.000 0.000 0.310 746 V C 0.214 176.368 176.094 0.100 0.000 1.054 746 V CA -1.762 60.592 62.300 0.091 0.000 0.928 746 V CB 1.932 33.754 31.823 -0.002 0.000 1.007 746 V HN 0.212 nan 8.190 nan 0.000 0.437 747 R N 2.649 123.162 120.500 0.021 0.000 2.239 747 R HA 0.660 5.000 4.340 0.000 0.000 0.332 747 R C -0.255 176.008 176.300 -0.061 0.000 0.988 747 R CA -0.233 55.816 56.100 -0.084 0.000 0.859 747 R CB 1.653 31.923 30.300 -0.050 0.000 1.148 747 R HN 1.013 nan 8.270 nan 0.000 0.482 748 A N 2.271 124.995 122.820 -0.160 0.000 2.391 748 A HA 0.167 4.487 4.320 0.000 0.000 0.316 748 A C 1.240 178.809 177.584 -0.025 0.000 1.381 748 A CA -0.496 51.467 52.037 -0.125 0.000 0.998 748 A CB 0.224 19.093 19.000 -0.220 0.000 1.147 748 A HN 0.752 nan 8.150 nan 0.000 0.545 749 T N -0.919 113.610 114.554 -0.041 0.000 3.100 749 T HA 0.043 4.393 4.350 0.000 0.000 0.253 749 T C 0.319 174.930 174.700 -0.148 0.000 1.118 749 T CA 0.576 62.669 62.100 -0.013 0.000 1.058 749 T CB -0.058 68.662 68.868 -0.247 0.000 0.953 749 T HN 0.552 nan 8.240 nan 0.000 0.515 750 D N 0.201 120.442 120.400 -0.266 0.000 2.256 750 D HA 0.350 4.990 4.640 0.000 0.000 0.240 750 D C -1.351 174.723 176.300 -0.376 0.000 1.062 750 D CA -0.679 53.179 54.000 -0.236 0.000 0.832 750 D CB 0.962 41.697 40.800 -0.109 0.000 1.135 750 D HN 0.128 nan 8.370 nan 0.000 0.484 751 F N 3.780 123.604 119.950 -0.210 0.000 2.480 751 F HA 0.409 4.936 4.527 0.000 0.000 0.329 751 F C -1.633 174.160 175.800 -0.011 0.000 1.091 751 F CA -1.837 56.116 58.000 -0.079 0.000 0.972 751 F CB 1.937 40.910 39.000 -0.045 0.000 1.150 751 F HN 0.150 nan 8.300 nan 0.000 0.467 752 P HA 0.141 nan 4.420 nan 0.000 0.274 752 P C -0.403 176.898 177.300 0.001 0.000 1.231 752 P CA -0.251 62.940 63.100 0.152 0.000 0.790 752 P CB 1.127 32.873 31.700 0.076 0.000 0.951 753 L N 1.248 122.458 121.223 -0.021 0.000 2.672 753 L HA 0.085 4.425 4.340 0.000 0.000 0.238 753 L C 1.206 178.055 176.870 -0.034 0.000 1.392 753 L CA -0.205 54.579 54.840 -0.094 0.000 1.238 753 L CB -1.239 40.763 42.059 -0.094 0.000 1.548 753 L HN 0.368 nan 8.230 nan 0.000 0.423 754 S N -0.862 114.820 115.700 -0.031 0.000 2.600 754 S HA 0.266 4.736 4.470 0.000 0.000 0.265 754 S C -1.650 172.932 174.600 -0.030 0.000 1.325 754 S CA -1.187 56.997 58.200 -0.026 0.000 1.002 754 S CB 0.806 63.989 63.200 -0.029 0.000 0.921 754 S HN 0.086 nan 8.310 nan 0.000 0.554 755 P HA -0.178 nan 4.420 nan 0.000 0.216 755 P C 1.062 178.348 177.300 -0.024 0.000 1.150 755 P CA 1.592 64.679 63.100 -0.022 0.000 0.843 755 P CB -0.166 31.523 31.700 -0.018 0.000 0.787 756 D N -0.337 120.049 120.400 -0.023 0.000 2.117 756 D HA -0.187 4.453 4.640 0.000 0.000 0.197 756 D C 1.825 178.110 176.300 -0.025 0.000 0.987 756 D CA 1.390 55.378 54.000 -0.021 0.000 0.829 756 D CB -1.013 39.777 40.800 -0.017 0.000 0.961 756 D HN 0.179 nan 8.370 nan 0.000 0.460 757 R N -0.174 120.306 120.500 -0.033 0.000 2.075 757 R HA 0.017 4.357 4.340 0.000 0.000 0.232 757 R C 2.474 178.743 176.300 -0.051 0.000 1.126 757 R CA 0.650 56.723 56.100 -0.045 0.000 0.963 757 R CB -0.143 30.118 30.300 -0.064 0.000 0.858 757 R HN 0.215 nan 8.270 nan 0.000 0.435 758 I N 1.178 121.718 120.570 -0.050 0.000 2.226 758 I HA -0.228 3.942 4.170 0.000 0.000 0.245 758 I C 2.600 178.695 176.117 -0.036 0.000 1.100 758 I CA 1.915 63.185 61.300 -0.049 0.000 1.374 758 I CB -1.552 36.423 38.000 -0.042 0.000 1.057 758 I HN 0.313 nan 8.210 nan 0.000 0.413 759 T N -1.400 113.137 114.554 -0.029 0.000 2.788 759 T HA -0.164 4.186 4.350 0.000 0.000 0.268 759 T C 1.644 176.331 174.700 -0.022 0.000 1.044 759 T CA 1.160 63.247 62.100 -0.023 0.000 1.139 759 T CB -0.475 68.382 68.868 -0.018 0.000 0.867 759 T HN 0.410 nan 8.240 nan 0.000 0.454 760 E N 1.180 121.365 120.200 -0.024 0.000 2.077 760 E HA -0.004 4.346 4.350 0.000 0.000 0.193 760 E C 2.268 178.854 176.600 -0.024 0.000 0.989 760 E CA 1.065 57.452 56.400 -0.022 0.000 0.800 760 E CB -0.369 29.318 29.700 -0.021 0.000 0.746 760 E HN 0.492 nan 8.360 nan 0.000 0.452 761 L N 0.675 121.880 121.223 -0.031 0.000 2.093 761 L HA -0.182 4.158 4.340 0.000 0.000 0.208 761 L C 2.460 179.316 176.870 -0.023 0.000 1.085 761 L CA 0.806 55.628 54.840 -0.030 0.000 0.755 761 L CB -0.334 41.700 42.059 -0.041 0.000 0.904 761 L HN 0.147 nan 8.230 nan 0.000 0.435 762 L N -0.534 120.674 121.223 -0.024 0.000 2.093 762 L HA -0.208 4.132 4.340 0.000 0.000 0.208 762 L C 2.189 179.049 176.870 -0.017 0.000 1.085 762 L CA 0.989 55.816 54.840 -0.021 0.000 0.755 762 L CB -0.569 41.476 42.059 -0.023 0.000 0.904 762 L HN 0.286 nan 8.230 nan 0.000 0.435 763 D N 0.175 120.565 120.400 -0.016 0.000 2.144 763 D HA -0.121 4.519 4.640 0.000 0.000 0.200 763 D C 2.253 178.546 176.300 -0.012 0.000 0.978 763 D CA 1.408 55.400 54.000 -0.014 0.000 0.833 763 D CB -0.036 40.756 40.800 -0.013 0.000 0.961 763 D HN 0.289 nan 8.370 nan 0.000 0.470 764 A N 1.188 124.000 122.820 -0.013 0.000 1.902 764 A HA -0.222 4.098 4.320 0.000 0.000 0.217 764 A C 2.089 179.668 177.584 -0.009 0.000 1.181 764 A CA 1.824 53.854 52.037 -0.012 0.000 0.623 764 A CB -0.504 18.488 19.000 -0.014 0.000 0.818 764 A HN 0.181 nan 8.150 nan 0.000 0.443 765 K N 0.005 120.400 120.400 -0.009 0.000 2.026 765 K HA -0.246 4.074 4.320 0.000 0.000 0.208 765 K C 2.095 178.691 176.600 -0.007 0.000 1.048 765 K CA 1.922 58.206 56.287 -0.005 0.000 0.929 765 K CB -0.194 32.302 32.500 -0.006 0.000 0.713 765 K HN 0.659 nan 8.250 nan 0.000 0.439 766 E N 0.169 120.362 120.200 -0.010 0.000 2.028 766 E HA -0.146 4.204 4.350 0.000 0.000 0.190 766 E C 1.839 178.433 176.600 -0.009 0.000 0.984 766 E CA 1.217 57.611 56.400 -0.011 0.000 0.800 766 E CB -0.355 29.338 29.700 -0.012 0.000 0.758 766 E HN 0.335 nan 8.360 nan 0.000 0.448 767 A N 1.290 124.105 122.820 -0.009 0.000 2.042 767 A HA -0.094 4.226 4.320 0.000 0.000 0.222 767 A C 1.820 179.400 177.584 -0.007 0.000 1.167 767 A CA 1.820 53.852 52.037 -0.008 0.000 0.649 767 A CB -0.866 18.130 19.000 -0.008 0.000 0.809 767 A HN 0.499 nan 8.150 nan 0.000 0.457 768 A N -0.616 122.201 122.820 -0.006 0.000 3.453 768 A HA 0.702 5.022 4.320 0.000 0.000 0.159 768 A C 1.415 178.997 177.584 -0.004 0.000 1.974 768 A CA 0.306 52.340 52.037 -0.005 0.000 1.121 768 A CB -1.225 17.773 19.000 -0.004 0.000 1.879 768 A HN 1.680 nan 8.150 nan 0.000 0.752 769 A N 0.000 122.819 122.820 -0.002 0.000 2.254 769 A HA 0.000 4.320 4.320 0.000 0.000 0.244 769 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 769 A CB 0.000 19.001 19.000 0.001 0.000 0.831 769 A HN 0.000 nan 8.150 nan 0.000 0.486