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_D 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 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 0.000 174.826 174.900 -0.123 0.000 0.946 9 G CA 0.000 45.031 45.100 -0.115 0.000 0.502 10 T N -2.411 112.049 114.554 -0.156 0.000 2.987 10 T HA 0.277 4.627 4.350 -0.000 0.000 0.248 10 T C 0.910 175.503 174.700 -0.177 0.000 0.997 10 T CA 0.429 62.442 62.100 -0.145 0.000 1.013 10 T CB 0.217 69.007 68.868 -0.130 0.000 1.077 10 T HN 0.581 nan 8.240 nan 0.000 0.483 11 V N 2.507 122.258 119.914 -0.272 0.000 2.572 11 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 11 V C 1.680 177.643 176.094 -0.218 0.000 1.039 11 V CA 1.114 63.226 62.300 -0.313 0.000 1.055 11 V CB 0.175 31.610 31.823 -0.645 0.000 0.969 11 V HN 0.946 nan 8.190 nan 0.000 0.482 12 G N 3.845 112.555 108.800 -0.149 0.000 2.195 12 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.246 12 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.246 12 G C 0.074 174.928 174.900 -0.076 0.000 0.984 12 G CA 0.018 45.059 45.100 -0.099 0.000 0.633 12 G HN 0.746 nan 8.290 nan 0.000 0.525 13 V N 1.711 121.575 119.914 -0.084 0.000 2.546 13 V HA 0.407 4.527 4.120 -0.000 0.000 0.284 13 V C 1.162 177.226 176.094 -0.051 0.000 1.050 13 V CA -0.587 61.674 62.300 -0.065 0.000 0.981 13 V CB 1.309 33.089 31.823 -0.072 0.000 0.990 13 V HN 0.373 nan 8.190 nan 0.000 0.474 14 R N 2.874 123.351 120.500 -0.038 0.000 2.351 14 R HA 0.362 4.702 4.340 -0.000 0.000 0.318 14 R C -0.356 175.926 176.300 -0.030 0.000 1.055 14 R CA 0.097 56.180 56.100 -0.028 0.000 0.968 14 R CB 0.227 30.514 30.300 -0.021 0.000 0.974 14 R HN 0.708 nan 8.270 nan 0.000 0.439 15 T N 5.633 120.169 114.554 -0.029 0.000 2.840 15 T HA 0.288 4.638 4.350 -0.000 0.000 0.287 15 T C -2.394 172.293 174.700 -0.022 0.000 0.991 15 T CA -1.677 60.405 62.100 -0.030 0.000 0.964 15 T CB 2.008 70.853 68.868 -0.039 0.000 0.954 15 T HN 0.264 nan 8.240 nan 0.000 0.438 16 P HA 0.171 nan 4.420 nan 0.000 0.269 16 P C -0.152 177.143 177.300 -0.009 0.000 1.209 16 P CA -0.459 62.635 63.100 -0.011 0.000 0.776 16 P CB 0.472 32.165 31.700 -0.011 0.000 0.876 17 L N 2.147 123.370 121.223 -0.000 0.000 2.485 17 L HA -0.010 4.330 4.340 -0.000 0.000 0.275 17 L C 1.921 178.796 176.870 0.008 0.000 1.207 17 L CA -0.294 54.549 54.840 0.004 0.000 0.855 17 L CB 0.357 42.426 42.059 0.017 0.000 1.114 17 L HN 0.301 nan 8.230 nan 0.000 0.485 18 V N -1.354 118.560 119.914 -0.000 0.000 2.867 18 V HA -0.157 3.963 4.120 -0.000 0.000 0.260 18 V C 1.112 177.220 176.094 0.025 0.000 1.099 18 V CA 1.588 63.888 62.300 -0.000 0.000 1.122 18 V CB -0.792 31.020 31.823 -0.018 0.000 0.708 18 V HN 0.999 nan 8.190 nan 0.000 0.490 19 D N -0.092 120.342 120.400 0.056 0.000 2.440 19 D HA 0.209 4.849 4.640 -0.000 0.000 0.216 19 D C 1.787 178.162 176.300 0.124 0.000 1.150 19 D CA 0.529 54.610 54.000 0.135 0.000 0.832 19 D CB 0.071 41.005 40.800 0.223 0.000 0.992 19 D HN 0.388 nan 8.370 nan 0.000 0.502 20 G N 0.702 109.539 108.800 0.063 0.000 2.422 20 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 20 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 20 G C 1.544 176.450 174.900 0.010 0.000 1.140 20 G CA 0.704 45.826 45.100 0.037 0.000 0.775 20 G HN 0.256 nan 8.290 nan 0.000 0.545 21 V N 0.856 120.774 119.914 0.008 0.000 2.332 21 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 21 V C 2.722 178.795 176.094 -0.035 0.000 1.055 21 V CA 2.244 64.538 62.300 -0.010 0.000 1.038 21 V CB -0.424 31.396 31.823 -0.004 0.000 0.651 21 V HN 0.322 nan 8.190 nan 0.000 0.450 22 E N -0.060 120.109 120.200 -0.051 0.000 2.204 22 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 22 E C 2.166 178.640 176.600 -0.211 0.000 0.989 22 E CA 0.806 57.119 56.400 -0.145 0.000 0.824 22 E CB -0.220 29.352 29.700 -0.214 0.000 0.756 22 E HN 0.574 nan 8.360 nan 0.000 0.477 23 K N -0.012 120.296 120.400 -0.153 0.000 2.062 23 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 23 K C 2.006 178.576 176.600 -0.049 0.000 1.051 23 K CA 1.332 57.559 56.287 -0.101 0.000 0.941 23 K CB -0.015 32.477 32.500 -0.013 0.000 0.719 23 K HN 0.175 nan 8.250 nan 0.000 0.440 24 V N -0.691 119.200 119.914 -0.039 0.000 3.217 24 V HA -0.044 4.076 4.120 -0.000 0.000 0.264 24 V C 1.678 177.754 176.094 -0.031 0.000 1.135 24 V CA 1.594 63.878 62.300 -0.027 0.000 1.142 24 V CB -0.646 31.166 31.823 -0.019 0.000 0.754 24 V HN 0.317 nan 8.190 nan 0.000 0.484 25 T N -3.855 110.673 114.554 -0.043 0.000 3.040 25 T HA 0.450 4.800 4.350 -0.000 0.000 0.250 25 T C 1.686 176.361 174.700 -0.041 0.000 1.058 25 T CA 0.737 62.814 62.100 -0.038 0.000 0.988 25 T CB 0.432 69.277 68.868 -0.039 0.000 0.993 25 T HN 1.462 nan 8.240 nan 0.000 0.519 26 G N 1.939 110.709 108.800 -0.051 0.000 2.162 26 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 26 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 26 G C 0.793 175.657 174.900 -0.060 0.000 0.976 26 G CA 0.537 45.613 45.100 -0.040 0.000 0.655 26 G HN 0.556 nan 8.290 nan 0.000 0.533 27 K N 0.245 120.589 120.400 -0.095 0.000 2.296 27 K HA 0.410 4.730 4.320 -0.000 0.000 0.200 27 K C 1.715 178.200 176.600 -0.191 0.000 1.048 27 K CA 0.591 56.816 56.287 -0.103 0.000 0.966 27 K CB 0.114 32.565 32.500 -0.082 0.000 0.754 27 K HN 0.658 nan 8.250 nan 0.000 0.466 28 A N 2.546 125.136 122.820 -0.383 0.000 2.524 28 A HA 0.010 4.330 4.320 -0.000 0.000 0.250 28 A C -0.253 177.057 177.584 -0.457 0.000 1.078 28 A CA 0.265 51.782 52.037 -0.867 0.000 0.761 28 A CB 0.172 18.207 19.000 -1.608 0.000 1.012 28 A HN -0.013 nan 8.150 nan 0.000 0.500 29 K N 3.188 123.436 120.400 -0.253 0.000 2.281 29 K HA 0.326 4.646 4.320 -0.000 0.000 0.272 29 K C -1.052 175.534 176.600 -0.024 0.000 1.048 29 K CA 0.048 56.316 56.287 -0.032 0.000 0.898 29 K CB 0.744 33.265 32.500 0.034 0.000 1.128 29 K HN 0.649 nan 8.250 nan 0.000 0.460 30 Y N 0.271 120.612 120.300 0.069 0.000 2.340 30 Y HA 0.031 4.581 4.550 -0.000 0.000 0.327 30 Y C 2.276 178.213 175.900 0.060 0.000 1.321 30 Y CA -0.147 58.010 58.100 0.094 0.000 1.433 30 Y CB 0.391 38.884 38.460 0.055 0.000 1.373 30 Y HN 0.531 nan 8.280 nan 0.000 0.538 31 T N 0.451 115.130 114.554 0.207 0.000 2.665 31 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 31 T C 1.834 176.592 174.700 0.096 0.000 1.035 31 T CA 1.978 64.148 62.100 0.118 0.000 1.151 31 T CB -0.537 68.389 68.868 0.097 0.000 0.862 31 T HN 0.726 nan 8.240 nan 0.000 0.438 32 A N 1.184 124.062 122.820 0.098 0.000 2.206 32 A HA -0.017 4.303 4.320 -0.000 0.000 0.211 32 A C 1.688 179.310 177.584 0.063 0.000 1.158 32 A CA 0.912 52.986 52.037 0.062 0.000 0.761 32 A CB -0.195 18.826 19.000 0.036 0.000 0.801 32 A HN 0.351 nan 8.150 nan 0.000 0.473 33 D N -0.286 120.170 120.400 0.092 0.000 2.354 33 D HA 0.121 4.761 4.640 -0.000 0.000 0.209 33 D C 0.447 176.781 176.300 0.057 0.000 1.015 33 D CA 0.143 54.190 54.000 0.077 0.000 0.867 33 D CB 0.027 40.892 40.800 0.110 0.000 0.933 33 D HN 0.443 nan 8.370 nan 0.000 0.520 34 I N 1.789 122.394 120.570 0.057 0.000 2.598 34 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 34 I C 0.778 176.914 176.117 0.032 0.000 1.140 34 I CA -0.391 60.934 61.300 0.042 0.000 1.420 34 I CB 0.690 38.714 38.000 0.041 0.000 1.387 34 I HN -0.132 nan 8.210 nan 0.000 0.553 35 A N 5.915 128.750 122.820 0.026 0.000 2.440 35 A HA 0.656 4.976 4.320 -0.000 0.000 0.251 35 A C 0.330 177.925 177.584 0.019 0.000 1.089 35 A CA -0.089 51.960 52.037 0.021 0.000 0.779 35 A CB 0.307 19.317 19.000 0.017 0.000 1.022 35 A HN 0.939 nan 8.150 nan 0.000 0.492 36 A N 4.108 126.939 122.820 0.019 0.000 3.044 36 A HA 0.591 4.911 4.320 -0.000 0.000 0.289 36 A C -2.015 175.580 177.584 0.018 0.000 1.236 36 A CA -0.628 51.420 52.037 0.018 0.000 0.871 36 A CB 0.300 19.313 19.000 0.022 0.000 1.424 36 A HN 0.487 nan 8.150 nan 0.000 0.564 37 P HA -0.126 nan 4.420 nan 0.000 0.218 37 P C 0.510 177.819 177.300 0.015 0.000 1.146 37 P CA 1.312 64.420 63.100 0.014 0.000 0.813 37 P CB 0.353 32.060 31.700 0.012 0.000 0.778 38 D N -1.356 119.054 120.400 0.016 0.000 2.340 38 D HA 0.145 4.785 4.640 -0.000 0.000 0.220 38 D C 0.579 176.893 176.300 0.023 0.000 1.039 38 D CA 0.068 54.079 54.000 0.018 0.000 0.866 38 D CB -0.370 40.441 40.800 0.018 0.000 0.913 38 D HN 0.057 nan 8.370 nan 0.000 0.523 39 A N 0.646 123.480 122.820 0.023 0.000 2.488 39 A HA 0.332 4.652 4.320 -0.000 0.000 0.249 39 A C 0.394 177.994 177.584 0.026 0.000 1.083 39 A CA -0.150 51.904 52.037 0.027 0.000 0.768 39 A CB 0.175 19.192 19.000 0.027 0.000 1.017 39 A HN 0.195 nan 8.150 nan 0.000 0.496 40 L N 2.130 123.370 121.223 0.029 0.000 2.456 40 L HA 0.343 4.683 4.340 -0.000 0.000 0.257 40 L C -0.035 176.852 176.870 0.028 0.000 1.162 40 L CA -0.760 54.096 54.840 0.027 0.000 0.808 40 L CB 0.986 43.062 42.059 0.029 0.000 1.136 40 L HN 0.406 nan 8.230 nan 0.000 0.466 41 V N 0.848 120.778 119.914 0.025 0.000 2.406 41 V HA 0.403 4.523 4.120 -0.000 0.000 0.272 41 V C 0.635 176.747 176.094 0.030 0.000 1.043 41 V CA -0.379 61.937 62.300 0.026 0.000 0.915 41 V CB 1.062 32.898 31.823 0.022 0.000 0.988 41 V HN 0.844 nan 8.190 nan 0.000 0.466 42 G N 5.202 114.023 108.800 0.035 0.000 2.367 42 G HA2 0.714 4.674 3.960 -0.000 0.000 0.314 42 G HA3 0.714 4.674 3.960 -0.000 0.000 0.314 42 G C -0.630 174.297 174.900 0.045 0.000 1.130 42 G CA -0.570 44.555 45.100 0.042 0.000 0.864 42 G HN 0.467 nan 8.290 nan 0.000 0.486 43 R N 0.727 121.257 120.500 0.050 0.000 2.651 43 R HA 0.403 4.743 4.340 -0.000 0.000 0.278 43 R C -1.104 175.238 176.300 0.070 0.000 1.010 43 R CA -0.754 55.379 56.100 0.055 0.000 0.896 43 R CB 2.167 32.493 30.300 0.043 0.000 1.211 43 R HN 0.501 nan 8.270 nan 0.000 0.456 44 I N 2.554 123.177 120.570 0.088 0.000 2.377 44 I HA 0.284 4.454 4.170 -0.000 0.000 0.293 44 I C -0.079 176.090 176.117 0.085 0.000 0.987 44 I CA -1.130 60.233 61.300 0.105 0.000 1.185 44 I CB 1.733 39.831 38.000 0.163 0.000 1.341 44 I HN 0.243 nan 8.210 nan 0.000 0.455 45 L N 7.606 128.874 121.223 0.074 0.000 2.278 45 L HA 0.391 4.731 4.340 -0.000 0.000 0.287 45 L C -0.217 176.693 176.870 0.067 0.000 1.072 45 L CA 0.299 55.177 54.840 0.064 0.000 0.819 45 L CB -0.011 42.082 42.059 0.057 0.000 1.176 45 L HN 0.498 nan 8.230 nan 0.000 0.435 46 R N 3.038 123.571 120.500 0.055 0.000 2.532 46 R HA 0.403 4.743 4.340 -0.000 0.000 0.295 46 R C -0.206 176.096 176.300 0.003 0.000 0.968 46 R CA -0.773 55.343 56.100 0.028 0.000 0.916 46 R CB 1.701 32.023 30.300 0.037 0.000 1.124 46 R HN 0.704 nan 8.270 nan 0.000 0.463 47 S N 2.931 118.611 115.700 -0.033 0.000 2.544 47 S HA 0.060 4.530 4.470 -0.000 0.000 0.290 47 S C -1.387 173.100 174.600 -0.189 0.000 1.276 47 S CA -1.088 57.069 58.200 -0.072 0.000 1.075 47 S CB 0.529 63.675 63.200 -0.090 0.000 0.849 47 S HN 0.485 nan 8.310 nan 0.000 0.494 48 P HA 0.135 nan 4.420 nan 0.000 0.255 48 P C -0.649 176.316 177.300 -0.557 0.000 1.248 48 P CA 0.252 63.098 63.100 -0.424 0.000 0.807 48 P CB -0.054 31.352 31.700 -0.489 0.000 1.150 49 H N -0.919 117.985 119.070 -0.276 0.000 2.492 49 H HA 0.525 5.081 4.556 -0.000 0.000 0.345 49 H C 1.206 176.449 175.328 -0.142 0.000 1.136 49 H CA -0.512 55.395 56.048 -0.235 0.000 1.202 49 H CB 1.831 31.377 29.762 -0.361 0.000 1.524 49 H HN -0.190 nan 8.280 nan 0.000 0.506 50 A N 2.024 124.869 122.820 0.042 0.000 2.066 50 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 50 A C 0.380 178.003 177.584 0.064 0.000 1.157 50 A CA 1.242 53.296 52.037 0.029 0.000 0.670 50 A CB -0.222 18.778 19.000 0.000 0.000 0.804 50 A HN 0.837 nan 8.150 nan 0.000 0.453 51 H N -2.083 116.947 119.070 -0.066 0.000 3.179 51 H HA 0.515 5.071 4.556 -0.000 0.000 0.331 51 H C -1.299 173.973 175.328 -0.093 0.000 1.013 51 H CA -0.202 55.792 56.048 -0.090 0.000 1.430 51 H CB 1.092 30.764 29.762 -0.150 0.000 1.895 51 H HN 0.388 nan 8.280 nan 0.000 0.468 52 A N 4.728 127.547 122.820 -0.003 0.000 2.594 52 A HA 0.466 4.786 4.320 -0.000 0.000 0.296 52 A C -1.191 176.400 177.584 0.011 0.000 1.061 52 A CA -0.862 51.127 52.037 -0.080 0.000 0.689 52 A CB 1.701 20.639 19.000 -0.103 0.000 1.280 52 A HN 0.716 nan 8.150 nan 0.000 0.406 53 R N 0.419 120.906 120.500 -0.021 0.000 2.490 53 R HA 0.567 4.907 4.340 -0.000 0.000 0.278 53 R C -0.785 175.554 176.300 0.065 0.000 1.069 53 R CA -0.254 55.850 56.100 0.007 0.000 1.080 53 R CB 0.942 31.221 30.300 -0.037 0.000 1.030 53 R HN 0.606 nan 8.270 nan 0.000 0.491 54 I N 3.886 124.469 120.570 0.021 0.000 2.307 54 I HA 0.044 4.214 4.170 -0.000 0.000 0.289 54 I C 1.062 177.130 176.117 -0.081 0.000 1.021 54 I CA -0.073 61.189 61.300 -0.064 0.000 1.224 54 I CB 1.095 39.047 38.000 -0.080 0.000 1.376 54 I HN 0.538 nan 8.210 nan 0.000 0.470 55 L N 6.006 127.170 121.223 -0.098 0.000 2.249 55 L HA 0.355 4.695 4.340 -0.000 0.000 0.207 55 L C 0.875 177.694 176.870 -0.084 0.000 1.090 55 L CA 0.344 55.139 54.840 -0.075 0.000 0.802 55 L CB -0.101 41.923 42.059 -0.059 0.000 0.947 55 L HN 0.727 nan 8.230 nan 0.000 0.453 56 A N -0.175 122.574 122.820 -0.119 0.000 2.597 56 A HA 0.727 5.047 4.320 -0.000 0.000 0.292 56 A C -1.469 176.033 177.584 -0.137 0.000 1.057 56 A CA -0.403 51.572 52.037 -0.105 0.000 0.674 56 A CB 1.358 20.312 19.000 -0.076 0.000 1.278 56 A HN -0.010 nan 8.150 nan 0.000 0.416 57 I N 1.389 121.896 120.570 -0.105 0.000 2.610 57 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 57 I C -1.717 174.361 176.117 -0.065 0.000 1.163 57 I CA -0.439 60.800 61.300 -0.103 0.000 1.044 57 I CB 2.376 40.319 38.000 -0.095 0.000 1.251 57 I HN 0.685 nan 8.210 nan 0.000 0.424 58 D N 4.177 124.544 120.400 -0.054 0.000 2.471 58 D HA 0.276 4.916 4.640 -0.000 0.000 0.245 58 D C 0.558 176.842 176.300 -0.027 0.000 1.116 58 D CA -0.253 53.726 54.000 -0.036 0.000 0.853 58 D CB 1.753 42.535 40.800 -0.030 0.000 1.123 58 D HN 0.656 nan 8.370 nan 0.000 0.540 59 T N -0.376 114.166 114.554 -0.021 0.000 3.092 59 T HA 0.026 4.376 4.350 -0.000 0.000 0.258 59 T C 1.717 176.412 174.700 -0.008 0.000 1.031 59 T CA 0.476 62.568 62.100 -0.013 0.000 0.925 59 T CB -0.062 68.800 68.868 -0.011 0.000 1.036 59 T HN 0.230 nan 8.240 nan 0.000 0.544 60 S N 2.585 118.279 115.700 -0.010 0.000 2.365 60 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 60 S C 2.394 176.992 174.600 -0.003 0.000 1.039 60 S CA 1.069 59.265 58.200 -0.007 0.000 1.033 60 S CB -1.098 62.097 63.200 -0.008 0.000 0.887 60 S HN 0.706 nan 8.310 nan 0.000 0.447 61 A N 1.845 124.663 122.820 -0.003 0.000 1.969 61 A HA 0.395 4.715 4.320 -0.000 0.000 0.218 61 A C 2.504 180.089 177.584 0.002 0.000 1.169 61 A CA 1.625 53.662 52.037 0.000 0.000 0.635 61 A CB -1.333 17.667 19.000 0.001 0.000 0.810 61 A HN 0.915 nan 8.150 nan 0.000 0.445 62 A N -0.148 122.674 122.820 0.002 0.000 1.897 62 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 62 A C 1.884 179.471 177.584 0.005 0.000 1.181 62 A CA 1.479 53.519 52.037 0.005 0.000 0.620 62 A CB -0.455 18.549 19.000 0.006 0.000 0.821 62 A HN 0.592 nan 8.150 nan 0.000 0.443 63 E N -0.260 119.942 120.200 0.003 0.000 2.153 63 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 63 E C 2.040 178.643 176.600 0.004 0.000 0.988 63 E CA 0.837 57.239 56.400 0.003 0.000 0.811 63 E CB -0.210 29.490 29.700 0.000 0.000 0.746 63 E HN 0.618 nan 8.360 nan 0.000 0.466 64 A N 0.836 123.657 122.820 0.003 0.000 2.167 64 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 64 A C 1.013 178.600 177.584 0.005 0.000 1.151 64 A CA -0.033 52.006 52.037 0.004 0.000 0.735 64 A CB -0.133 18.868 19.000 0.002 0.000 0.802 64 A HN 0.163 nan 8.150 nan 0.000 0.467 65 L N 0.884 122.110 121.223 0.006 0.000 2.455 65 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 65 L C 0.481 177.355 176.870 0.008 0.000 1.174 65 L CA -0.077 54.767 54.840 0.007 0.000 0.869 65 L CB 0.161 42.225 42.059 0.008 0.000 1.130 65 L HN 0.411 nan 8.230 nan 0.000 0.474 66 E N 3.858 124.063 120.200 0.008 0.000 2.415 66 E HA 0.323 4.673 4.350 -0.000 0.000 0.263 66 E C 0.947 177.553 176.600 0.009 0.000 0.995 66 E CA 0.889 57.294 56.400 0.008 0.000 0.915 66 E CB 0.232 29.937 29.700 0.008 0.000 0.951 66 E HN 0.930 nan 8.360 nan 0.000 0.449 67 G N 2.738 111.544 108.800 0.010 0.000 2.232 67 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.226 67 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.226 67 G C 0.002 174.910 174.900 0.013 0.000 0.996 67 G CA 0.021 45.128 45.100 0.012 0.000 0.626 67 G HN 0.525 nan 8.290 nan 0.000 0.509 68 V N 3.135 123.057 119.914 0.012 0.000 2.406 68 V HA 0.405 4.525 4.120 -0.000 0.000 0.272 68 V C 1.486 177.588 176.094 0.012 0.000 1.043 68 V CA -0.398 61.909 62.300 0.013 0.000 0.915 68 V CB 1.313 33.143 31.823 0.011 0.000 0.988 68 V HN 0.231 nan 8.190 nan 0.000 0.466 69 I N 3.263 123.841 120.570 0.014 0.000 3.081 69 I HA 0.373 4.543 4.170 -0.000 0.000 0.274 69 I C 0.952 177.075 176.117 0.010 0.000 1.178 69 I CA 0.711 62.019 61.300 0.014 0.000 1.460 69 I CB -0.319 37.692 38.000 0.018 0.000 1.137 69 I HN 0.666 nan 8.210 nan 0.000 0.443 70 A N 0.516 123.341 122.820 0.009 0.000 2.589 70 A HA 0.712 5.032 4.320 -0.000 0.000 0.296 70 A C -1.286 176.301 177.584 0.006 0.000 1.062 70 A CA -0.369 51.670 52.037 0.004 0.000 0.686 70 A CB 1.850 20.849 19.000 -0.002 0.000 1.282 70 A HN -0.168 nan 8.150 nan 0.000 0.404 71 V N 0.521 120.436 119.914 0.003 0.000 2.686 71 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 71 V C -0.493 175.601 176.094 0.001 0.000 1.065 71 V CA -0.543 61.760 62.300 0.005 0.000 0.894 71 V CB 1.450 33.275 31.823 0.004 0.000 1.004 71 V HN 1.116 nan 8.190 nan 0.000 0.424 72 C N 3.044 122.348 119.300 0.006 0.000 2.614 72 C HA 0.967 5.427 4.460 -0.000 0.000 0.320 72 C C 0.559 175.553 174.990 0.007 0.000 1.200 72 C CA -0.375 58.645 59.018 0.004 0.000 1.700 72 C CB 1.923 29.668 27.740 0.007 0.000 2.275 72 C HN 1.054 nan 8.230 nan 0.000 0.492 73 T N -1.603 112.951 114.554 0.000 0.000 2.804 73 T HA 0.569 4.919 4.350 -0.000 0.000 0.290 73 T C 1.013 175.710 174.700 -0.005 0.000 1.099 73 T CA 0.262 62.360 62.100 -0.003 0.000 1.011 73 T CB 1.173 70.028 68.868 -0.021 0.000 1.291 73 T HN 0.821 nan 8.240 nan 0.000 0.523 74 G N -0.305 108.486 108.800 -0.016 0.000 2.535 74 G HA2 0.133 4.093 3.960 -0.000 0.000 0.218 74 G HA3 0.133 4.093 3.960 -0.000 0.000 0.218 74 G C 1.537 176.397 174.900 -0.066 0.000 1.122 74 G CA 0.714 45.792 45.100 -0.037 0.000 0.769 74 G HN 1.166 nan 8.290 nan 0.000 0.549 75 A N 0.699 123.486 122.820 -0.054 0.000 2.070 75 A HA 0.017 4.337 4.320 -0.000 0.000 0.220 75 A C 1.990 179.554 177.584 -0.033 0.000 1.159 75 A CA 1.536 53.541 52.037 -0.052 0.000 0.656 75 A CB -0.172 18.803 19.000 -0.042 0.000 0.800 75 A HN 0.465 nan 8.150 nan 0.000 0.453 76 E N -0.524 119.665 120.200 -0.019 0.000 2.474 76 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 76 E C -0.011 176.597 176.600 0.013 0.000 1.039 76 E CA 0.616 57.012 56.400 -0.006 0.000 0.881 76 E CB 0.239 29.933 29.700 -0.009 0.000 0.970 76 E HN 0.611 nan 8.360 nan 0.000 0.486 77 T N -1.486 113.083 114.554 0.025 0.000 3.410 77 T HA 0.220 4.570 4.350 -0.000 0.000 0.328 77 T C -2.233 172.536 174.700 0.114 0.000 1.567 77 T CA -1.697 60.454 62.100 0.086 0.000 1.626 77 T CB 1.103 70.049 68.868 0.130 0.000 0.939 77 T HN -0.157 nan 8.240 nan 0.000 0.656 78 P HA 0.174 nan 4.420 nan 0.000 0.249 78 P C -0.064 177.407 177.300 0.285 0.000 1.229 78 P CA -0.038 63.127 63.100 0.107 0.000 0.788 78 P CB 0.297 32.028 31.700 0.052 0.000 1.072 79 V N 3.741 123.830 119.914 0.291 0.000 2.384 79 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 79 V C -2.014 174.202 176.094 0.202 0.000 1.020 79 V CA -2.119 60.320 62.300 0.232 0.000 0.850 79 V CB 2.068 33.971 31.823 0.132 0.000 0.987 79 V HN 0.025 nan 8.190 nan 0.000 0.436 80 P HA 0.521 nan 4.420 nan 0.000 0.279 80 P C -1.171 176.083 177.300 -0.077 0.000 1.276 80 P CA -0.329 62.542 63.100 -0.381 0.000 0.801 80 P CB 1.354 32.532 31.700 -0.870 0.000 1.127 81 F N -2.950 116.873 119.950 -0.211 0.000 2.629 81 F HA 0.905 5.432 4.527 -0.000 0.000 0.316 81 F C -0.647 175.063 175.800 -0.150 0.000 1.081 81 F CA -0.943 56.969 58.000 -0.148 0.000 0.954 81 F CB 1.544 40.475 39.000 -0.114 0.000 1.337 81 F HN 0.589 nan 8.300 nan 0.000 0.474 82 G N 0.232 109.035 108.800 0.005 0.000 2.667 82 G HA2 0.385 4.345 3.960 -0.000 0.000 0.294 82 G HA3 0.385 4.345 3.960 -0.000 0.000 0.294 82 G C -0.979 173.857 174.900 -0.108 0.000 1.467 82 G CA -0.197 44.841 45.100 -0.102 0.000 0.852 82 G HN 1.068 nan 8.290 nan 0.000 0.521 83 V N 0.930 120.712 119.914 -0.220 0.000 2.626 83 V HA 0.178 4.298 4.120 -0.000 0.000 0.252 83 V C 0.944 176.755 176.094 -0.472 0.000 1.067 83 V CA 1.160 63.207 62.300 -0.423 0.000 1.081 83 V CB -0.759 30.642 31.823 -0.704 0.000 0.686 83 V HN 0.446 nan 8.190 nan 0.000 0.468 84 L N 0.835 121.845 121.223 -0.355 0.000 2.289 84 L HA 0.340 4.680 4.340 -0.000 0.000 0.285 84 L C -1.433 175.309 176.870 -0.214 0.000 1.049 84 L CA -1.629 53.032 54.840 -0.299 0.000 0.804 84 L CB 0.996 42.929 42.059 -0.209 0.000 1.195 84 L HN 0.003 nan 8.230 nan 0.000 0.428 85 P HA -0.179 nan 4.420 nan 0.000 0.217 85 P C 1.493 178.744 177.300 -0.080 0.000 1.148 85 P CA 1.287 64.319 63.100 -0.114 0.000 0.828 85 P CB 0.121 31.765 31.700 -0.093 0.000 0.783 86 I N -5.099 115.419 120.570 -0.087 0.000 3.564 86 I HA 0.285 4.455 4.170 -0.000 0.000 0.294 86 I C 0.568 176.649 176.117 -0.061 0.000 1.289 86 I CA 0.357 61.621 61.300 -0.060 0.000 1.325 86 I CB -0.236 37.733 38.000 -0.052 0.000 1.039 86 I HN -0.209 nan 8.210 nan 0.000 0.474 87 A N 1.760 124.530 122.820 -0.083 0.000 3.409 87 A HA 0.439 4.759 4.320 -0.000 0.000 0.282 87 A C -0.504 177.010 177.584 -0.116 0.000 1.064 87 A CA -0.487 51.500 52.037 -0.083 0.000 0.889 87 A CB -0.040 18.918 19.000 -0.070 0.000 1.251 87 A HN 0.392 nan 8.150 nan 0.000 0.538 88 E N 1.738 121.864 120.200 -0.124 0.000 2.070 88 E HA 0.182 4.532 4.350 -0.000 0.000 0.261 88 E C -0.293 176.167 176.600 -0.234 0.000 0.926 88 E CA -0.528 55.765 56.400 -0.177 0.000 0.760 88 E CB 0.651 30.274 29.700 -0.127 0.000 1.133 88 E HN 0.637 nan 8.360 nan 0.000 0.420 89 N N 2.205 120.743 118.700 -0.271 0.000 2.241 89 N HA -0.003 4.737 4.740 -0.000 0.000 0.238 89 N C -0.381 175.005 175.510 -0.207 0.000 1.244 89 N CA -0.286 52.621 53.050 -0.238 0.000 0.880 89 N CB 0.571 38.932 38.487 -0.209 0.000 1.179 89 N HN 0.290 nan 8.380 nan 0.000 0.513 90 E N 0.449 120.295 120.200 -0.589 0.000 2.151 90 E HA 0.263 4.613 4.350 -0.000 0.000 0.275 90 E C -1.194 174.863 176.600 -0.906 0.000 0.936 90 E CA -0.648 55.196 56.400 -0.927 0.000 0.777 90 E CB 0.950 29.838 29.700 -1.352 0.000 1.108 90 E HN 0.116 nan 8.360 nan 0.000 0.401 91 Y N 3.789 123.910 120.300 -0.297 0.000 2.352 91 Y HA 0.231 4.781 4.550 -0.000 0.000 0.326 91 Y C -1.569 174.417 175.900 0.143 0.000 1.166 91 Y CA -2.070 56.019 58.100 -0.019 0.000 1.182 91 Y CB 1.073 39.552 38.460 0.031 0.000 1.216 91 Y HN 0.583 nan 8.280 nan 0.000 0.474 92 P HA -0.128 nan 4.420 nan 0.000 0.215 92 P C -0.570 176.877 177.300 0.245 0.000 1.157 92 P CA 1.588 64.920 63.100 0.387 0.000 0.868 92 P CB 0.386 32.223 31.700 0.228 0.000 0.788 93 L N -1.633 119.707 121.223 0.195 0.000 2.365 93 L HA 0.562 4.902 4.340 -0.000 0.000 0.273 93 L C 0.104 177.039 176.870 0.109 0.000 1.000 93 L CA -1.610 53.303 54.840 0.121 0.000 0.819 93 L CB 1.784 43.891 42.059 0.080 0.000 1.284 93 L HN -0.168 nan 8.230 nan 0.000 0.418 94 A N 3.486 126.357 122.820 0.085 0.000 2.520 94 A HA 0.385 4.705 4.320 -0.000 0.000 0.235 94 A C -0.103 177.476 177.584 -0.009 0.000 1.065 94 A CA 0.244 52.333 52.037 0.088 0.000 0.764 94 A CB 0.103 19.162 19.000 0.098 0.000 1.002 94 A HN 0.779 nan 8.150 nan 0.000 0.502 95 R N 1.530 121.989 120.500 -0.067 0.000 2.513 95 R HA 0.426 4.766 4.340 -0.000 0.000 0.301 95 R C -0.532 175.723 176.300 -0.074 0.000 0.968 95 R CA -0.531 55.453 56.100 -0.193 0.000 0.872 95 R CB 1.408 31.366 30.300 -0.569 0.000 1.177 95 R HN 0.919 nan 8.270 nan 0.000 0.444 96 D N 0.571 120.938 120.400 -0.055 0.000 3.587 96 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 96 D C -0.058 176.250 176.300 0.014 0.000 1.393 96 D CA 2.234 56.222 54.000 -0.020 0.000 2.278 96 D CB -0.363 40.431 40.800 -0.011 0.000 1.271 96 D HN 0.646 nan 8.370 nan 0.000 0.427 97 K N -0.311 120.121 120.400 0.054 0.000 2.555 97 K HA 0.591 4.911 4.320 -0.000 0.000 0.279 97 K C -0.615 176.066 176.600 0.135 0.000 0.986 97 K CA -0.922 55.414 56.287 0.082 0.000 0.880 97 K CB 2.645 35.174 32.500 0.049 0.000 1.474 97 K HN 0.059 nan 8.250 nan 0.000 0.433 98 V N -0.952 119.051 119.914 0.150 0.000 2.732 98 V HA 0.588 4.708 4.120 -0.000 0.000 0.310 98 V C 0.064 176.241 176.094 0.138 0.000 1.053 98 V CA -0.851 61.532 62.300 0.139 0.000 0.957 98 V CB 1.377 33.260 31.823 0.100 0.000 1.018 98 V HN 0.934 nan 8.190 nan 0.000 0.452 99 R N 1.436 121.992 120.500 0.093 0.000 2.531 99 R HA 0.368 4.708 4.340 -0.000 0.000 0.316 99 R C -0.885 175.466 176.300 0.085 0.000 0.955 99 R CA -0.040 56.055 56.100 -0.009 0.000 1.120 99 R CB 0.849 30.985 30.300 -0.273 0.000 1.361 99 R HN 0.911 nan 8.270 nan 0.000 0.534 100 Y N -2.648 117.669 120.300 0.028 0.000 2.624 100 Y HA 0.419 4.969 4.550 -0.000 0.000 0.334 100 Y C -1.242 174.685 175.900 0.045 0.000 1.155 100 Y CA -1.766 56.342 58.100 0.012 0.000 1.046 100 Y CB 0.800 39.281 38.460 0.036 0.000 1.316 100 Y HN -0.282 nan 8.280 nan 0.000 0.457 101 R N 1.381 121.930 120.500 0.081 0.000 2.296 101 R HA 0.477 4.817 4.340 -0.000 0.000 0.323 101 R C 0.731 177.061 176.300 0.050 0.000 1.067 101 R CA 1.182 57.280 56.100 -0.005 0.000 0.946 101 R CB -0.152 30.171 30.300 0.039 0.000 0.991 101 R HN 1.424 nan 8.270 nan 0.000 0.448 102 G N 3.068 111.794 108.800 -0.122 0.000 2.296 102 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.188 102 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.188 102 G C -0.279 174.430 174.900 -0.318 0.000 1.000 102 G CA -0.156 44.921 45.100 -0.038 0.000 0.672 102 G HN 0.647 nan 8.290 nan 0.000 0.483 103 D N 2.428 122.301 120.400 -0.878 0.000 2.450 103 D HA 0.392 5.032 4.640 -0.000 0.000 0.247 103 D C -2.112 174.042 176.300 -0.243 0.000 1.162 103 D CA -0.954 52.567 54.000 -0.798 0.000 0.879 103 D CB 1.118 41.515 40.800 -0.671 0.000 1.163 103 D HN 0.128 nan 8.370 nan 0.000 0.472 104 P HA 0.003 nan 4.420 nan 0.000 0.267 104 P C 0.310 177.630 177.300 0.033 0.000 1.205 104 P CA -0.182 62.917 63.100 -0.003 0.000 0.765 104 P CB 1.105 32.837 31.700 0.053 0.000 0.828 105 V N 2.316 122.263 119.914 0.055 0.000 3.151 105 V HA 0.422 4.542 4.120 -0.000 0.000 0.241 105 V C 0.717 176.837 176.094 0.043 0.000 1.173 105 V CA 1.357 63.694 62.300 0.060 0.000 1.154 105 V CB 0.062 31.943 31.823 0.097 0.000 0.898 105 V HN 0.669 nan 8.190 nan 0.000 0.473 106 A N -0.730 122.121 122.820 0.050 0.000 2.581 106 A HA 0.961 5.281 4.320 -0.000 0.000 0.290 106 A C -1.306 176.311 177.584 0.055 0.000 1.119 106 A CA 0.042 52.103 52.037 0.040 0.000 0.670 106 A CB 1.535 20.549 19.000 0.022 0.000 1.280 106 A HN 0.810 nan 8.150 nan 0.000 0.425 107 A N -0.863 121.985 122.820 0.047 0.000 2.606 107 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 107 A C -0.806 176.801 177.584 0.038 0.000 1.082 107 A CA 0.046 52.115 52.037 0.054 0.000 0.685 107 A CB 1.102 20.143 19.000 0.069 0.000 1.284 107 A HN 2.380 nan 8.150 nan 0.000 0.408 108 V N -2.260 117.677 119.914 0.038 0.000 3.007 108 V HA 0.998 5.118 4.120 -0.000 0.000 0.311 108 V C -0.209 175.902 176.094 0.029 0.000 1.120 108 V CA -0.381 61.936 62.300 0.028 0.000 0.980 108 V CB 1.465 33.303 31.823 0.025 0.000 1.033 108 V HN 2.284 nan 8.190 nan 0.000 0.429 109 A N 2.073 124.907 122.820 0.023 0.000 2.319 109 A HA 1.046 5.366 4.320 -0.000 0.000 0.310 109 A C -0.088 177.508 177.584 0.021 0.000 1.152 109 A CA -0.011 52.041 52.037 0.024 0.000 0.783 109 A CB 1.118 20.131 19.000 0.022 0.000 1.184 109 A HN 2.394 nan 8.150 nan 0.000 0.474 110 A N 1.615 124.449 122.820 0.022 0.000 2.532 110 A HA 0.688 5.008 4.320 -0.000 0.000 0.290 110 A C 0.835 178.430 177.584 0.019 0.000 1.143 110 A CA -0.143 51.906 52.037 0.019 0.000 0.728 110 A CB 0.418 19.429 19.000 0.018 0.000 1.317 110 A HN 1.534 nan 8.150 nan 0.000 0.414 111 I N -2.234 118.346 120.570 0.017 0.000 2.493 111 I HA 0.087 4.257 4.170 -0.000 0.000 0.254 111 I C 0.222 176.348 176.117 0.016 0.000 1.160 111 I CA 1.420 62.730 61.300 0.017 0.000 1.445 111 I CB -0.555 37.454 38.000 0.015 0.000 1.086 111 I HN 0.618 nan 8.210 nan 0.000 0.433 112 D N -0.904 119.506 120.400 0.016 0.000 2.643 112 D HA 0.190 4.830 4.640 -0.000 0.000 0.283 112 D C 0.206 176.516 176.300 0.016 0.000 1.242 112 D CA -0.651 53.359 54.000 0.015 0.000 0.863 112 D CB 0.940 41.748 40.800 0.013 0.000 1.382 112 D HN -0.123 nan 8.370 nan 0.000 0.444 113 E N -0.351 119.858 120.200 0.015 0.000 2.077 113 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 113 E C 1.880 178.489 176.600 0.015 0.000 0.989 113 E CA 1.363 57.772 56.400 0.016 0.000 0.800 113 E CB -0.272 29.436 29.700 0.014 0.000 0.746 113 E HN 0.346 nan 8.360 nan 0.000 0.452 114 V N 0.803 120.725 119.914 0.013 0.000 2.407 114 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 114 V C 2.088 178.190 176.094 0.013 0.000 1.055 114 V CA 2.174 64.481 62.300 0.013 0.000 1.049 114 V CB -0.737 31.093 31.823 0.011 0.000 0.662 114 V HN 0.360 nan 8.190 nan 0.000 0.455 115 T N 0.372 114.934 114.554 0.013 0.000 2.777 115 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 115 T C 2.081 176.791 174.700 0.016 0.000 1.040 115 T CA 1.461 63.569 62.100 0.014 0.000 1.141 115 T CB -0.388 68.488 68.868 0.013 0.000 0.868 115 T HN 0.559 nan 8.240 nan 0.000 0.444 116 A N 1.420 124.250 122.820 0.017 0.000 1.933 116 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 116 A C 2.205 179.802 177.584 0.021 0.000 1.175 116 A CA 1.936 53.986 52.037 0.020 0.000 0.628 116 A CB -0.585 18.429 19.000 0.023 0.000 0.814 116 A HN 0.472 nan 8.150 nan 0.000 0.444 117 E N 0.247 120.458 120.200 0.019 0.000 2.051 117 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 117 E C 1.962 178.572 176.600 0.018 0.000 0.991 117 E CA 1.757 58.169 56.400 0.019 0.000 0.799 117 E CB -0.173 29.537 29.700 0.017 0.000 0.748 117 E HN 0.616 nan 8.360 nan 0.000 0.449 118 K N -0.162 120.247 120.400 0.015 0.000 2.057 118 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 118 K C 2.182 178.791 176.600 0.015 0.000 1.049 118 K CA 1.130 57.425 56.287 0.014 0.000 0.931 118 K CB -0.243 32.265 32.500 0.012 0.000 0.714 118 K HN 0.183 nan 8.250 nan 0.000 0.440 119 A N 1.578 124.407 122.820 0.015 0.000 1.908 119 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 119 A C 2.139 179.733 177.584 0.017 0.000 1.181 119 A CA 1.335 53.381 52.037 0.015 0.000 0.627 119 A CB -0.705 18.305 19.000 0.016 0.000 0.818 119 A HN 0.170 nan 8.150 nan 0.000 0.445 120 L N -0.867 120.369 121.223 0.021 0.000 2.083 120 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 120 L C 3.009 179.894 176.870 0.024 0.000 1.083 120 L CA 1.072 55.927 54.840 0.025 0.000 0.752 120 L CB -0.528 41.549 42.059 0.030 0.000 0.899 120 L HN 0.442 nan 8.230 nan 0.000 0.433 121 A N -0.251 122.582 122.820 0.021 0.000 2.067 121 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 121 A C 2.151 179.745 177.584 0.017 0.000 1.158 121 A CA 1.064 53.113 52.037 0.020 0.000 0.661 121 A CB -0.461 18.549 19.000 0.017 0.000 0.801 121 A HN 0.406 nan 8.150 nan 0.000 0.452 122 L N -0.412 120.820 121.223 0.014 0.000 2.492 122 L HA 0.182 4.522 4.340 -0.000 0.000 0.223 122 L C 0.181 177.056 176.870 0.007 0.000 1.132 122 L CA -0.124 54.722 54.840 0.010 0.000 0.850 122 L CB -0.211 41.853 42.059 0.008 0.000 0.966 122 L HN 0.262 nan 8.230 nan 0.000 0.454 123 I N 0.910 121.485 120.570 0.009 0.000 2.496 123 I HA 0.010 4.180 4.170 -0.000 0.000 0.285 123 I C 0.203 176.319 176.117 -0.002 0.000 1.080 123 I CA 0.279 61.580 61.300 0.002 0.000 1.404 123 I CB 0.560 38.562 38.000 0.005 0.000 1.403 123 I HN 0.025 nan 8.210 nan 0.000 0.539 124 K N 5.947 126.336 120.400 -0.017 0.000 2.265 124 K HA 0.583 4.903 4.320 -0.000 0.000 0.267 124 K C -1.192 175.366 176.600 -0.069 0.000 0.994 124 K CA -0.580 55.693 56.287 -0.024 0.000 0.860 124 K CB 2.019 34.507 32.500 -0.019 0.000 1.099 124 K HN 0.295 nan 8.250 nan 0.000 0.448 125 V N 2.677 122.531 119.914 -0.101 0.000 2.495 125 V HA 0.224 4.344 4.120 -0.000 0.000 0.298 125 V C -0.702 175.214 176.094 -0.297 0.000 1.031 125 V CA -0.992 61.137 62.300 -0.284 0.000 0.871 125 V CB 1.837 33.352 31.823 -0.514 0.000 0.988 125 V HN 0.676 nan 8.190 nan 0.000 0.432 126 D N 3.521 123.741 120.400 -0.300 0.000 2.349 126 D HA 0.468 5.108 4.640 -0.000 0.000 0.232 126 D C -0.884 175.291 176.300 -0.208 0.000 1.071 126 D CA 0.120 54.026 54.000 -0.156 0.000 0.832 126 D CB 1.301 42.046 40.800 -0.092 0.000 1.086 126 D HN 0.435 nan 8.370 nan 0.000 0.504 127 Y N 0.330 120.619 120.300 -0.018 0.000 2.487 127 Y HA 0.303 4.853 4.550 -0.000 0.000 0.337 127 Y C 0.741 176.567 175.900 -0.122 0.000 1.076 127 Y CA -0.960 57.100 58.100 -0.067 0.000 1.115 127 Y CB 1.804 40.210 38.460 -0.091 0.000 1.235 127 Y HN 0.187 nan 8.280 nan 0.000 0.468 128 E N 1.860 122.086 120.200 0.043 0.000 2.149 128 E HA 0.436 4.786 4.350 -0.000 0.000 0.255 128 E C -1.638 174.884 176.600 -0.130 0.000 0.888 128 E CA -0.544 55.825 56.400 -0.052 0.000 0.742 128 E CB 0.824 30.493 29.700 -0.051 0.000 1.164 128 E HN 0.465 nan 8.360 nan 0.000 0.422 129 V N 5.814 125.599 119.914 -0.215 0.000 2.637 129 V HA 0.139 4.259 4.120 -0.000 0.000 0.296 129 V C 0.406 176.374 176.094 -0.210 0.000 1.046 129 V CA 0.106 62.228 62.300 -0.295 0.000 1.066 129 V CB 0.429 32.026 31.823 -0.376 0.000 0.968 129 V HN 0.646 nan 8.190 nan 0.000 0.483 130 L N 5.600 126.681 121.223 -0.236 0.000 2.319 130 L HA 0.568 4.908 4.340 -0.000 0.000 0.267 130 L C -2.427 174.330 176.870 -0.189 0.000 1.011 130 L CA -2.128 52.559 54.840 -0.255 0.000 0.818 130 L CB 1.841 43.586 42.059 -0.523 0.000 1.316 130 L HN 0.394 nan 8.230 nan 0.000 0.432 131 P HA 0.171 nan 4.420 nan 0.000 0.269 131 P C -1.120 175.945 177.300 -0.392 0.000 1.209 131 P CA -0.087 62.888 63.100 -0.209 0.000 0.776 131 P CB 0.784 32.406 31.700 -0.130 0.000 0.876 132 A N 2.589 125.128 122.820 -0.468 0.000 2.356 132 A HA 0.691 5.011 4.320 -0.000 0.000 0.323 132 A C -1.470 175.670 177.584 -0.741 0.000 1.119 132 A CA -0.519 51.188 52.037 -0.549 0.000 0.790 132 A CB 0.790 19.664 19.000 -0.210 0.000 1.273 132 A HN 0.501 nan 8.150 nan 0.000 0.452 133 Y N 1.712 121.992 120.300 -0.034 0.000 2.328 133 Y HA 0.326 4.876 4.550 -0.000 0.000 0.333 133 Y C 0.932 176.792 175.900 -0.067 0.000 0.958 133 Y CA -0.931 57.145 58.100 -0.040 0.000 1.167 133 Y CB 1.812 40.252 38.460 -0.035 0.000 1.151 133 Y HN 0.566 nan 8.280 nan 0.000 0.470 134 M N 0.957 120.582 119.600 0.042 0.000 2.501 134 M HA 0.068 4.548 4.480 -0.000 0.000 0.261 134 M C 0.618 176.875 176.300 -0.071 0.000 1.129 134 M CA 0.502 55.782 55.300 -0.032 0.000 1.126 134 M CB -0.401 32.181 32.600 -0.030 0.000 1.359 134 M HN 0.693 nan 8.290 nan 0.000 0.471 135 T N -3.134 111.388 114.554 -0.054 0.000 2.924 135 T HA 0.461 4.811 4.350 -0.000 0.000 0.291 135 T C -2.394 172.268 174.700 -0.064 0.000 1.045 135 T CA -1.729 60.284 62.100 -0.146 0.000 1.015 135 T CB 2.635 71.391 68.868 -0.186 0.000 1.103 135 T HN -0.226 nan 8.240 nan 0.000 0.496 136 P HA -0.046 nan 4.420 nan 0.000 0.215 136 P C 1.542 178.832 177.300 -0.017 0.000 1.153 136 P CA 0.987 64.099 63.100 0.019 0.000 0.853 136 P CB 0.131 31.898 31.700 0.112 0.000 0.788 137 K N -0.109 120.270 120.400 -0.036 0.000 2.063 137 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 137 K C 1.954 178.520 176.600 -0.055 0.000 1.048 137 K CA 1.715 57.975 56.287 -0.046 0.000 0.928 137 K CB -0.647 31.830 32.500 -0.037 0.000 0.713 137 K HN -0.042 nan 8.250 nan 0.000 0.442 138 A N 0.969 123.768 122.820 -0.035 0.000 1.902 138 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 138 A C 2.326 179.800 177.584 -0.183 0.000 1.181 138 A CA 1.808 53.834 52.037 -0.019 0.000 0.623 138 A CB -0.789 18.280 19.000 0.115 0.000 0.818 138 A HN 0.501 nan 8.150 nan 0.000 0.443 139 A N -0.834 121.893 122.820 -0.156 0.000 2.015 139 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 139 A C 2.098 179.531 177.584 -0.251 0.000 1.163 139 A CA 1.607 53.462 52.037 -0.303 0.000 0.646 139 A CB -0.469 18.510 19.000 -0.036 0.000 0.806 139 A HN 0.525 nan 8.150 nan 0.000 0.448 140 M N -0.407 119.108 119.600 -0.142 0.000 2.561 140 M HA 0.067 4.547 4.480 -0.000 0.000 0.238 140 M C 0.022 176.256 176.300 -0.109 0.000 1.131 140 M CA 0.255 55.495 55.300 -0.100 0.000 1.046 140 M CB 0.065 32.623 32.600 -0.071 0.000 1.532 140 M HN 0.136 nan 8.290 nan 0.000 0.497 141 K N 0.719 121.033 120.400 -0.142 0.000 2.436 141 K HA 0.100 4.420 4.320 -0.000 0.000 0.275 141 K C 1.129 177.670 176.600 -0.097 0.000 0.999 141 K CA -0.096 56.127 56.287 -0.106 0.000 0.980 141 K CB 0.866 33.306 32.500 -0.100 0.000 0.919 141 K HN 0.113 nan 8.250 nan 0.000 0.484 142 A N 2.987 125.772 122.820 -0.058 0.000 1.986 142 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 142 A C 1.859 179.419 177.584 -0.040 0.000 1.171 142 A CA 2.083 54.096 52.037 -0.041 0.000 0.640 142 A CB -0.583 18.403 19.000 -0.023 0.000 0.811 142 A HN 0.891 nan 8.150 nan 0.000 0.451 143 G N -1.199 107.578 108.800 -0.040 0.000 3.088 143 G HA2 0.423 4.383 3.960 -0.000 0.000 0.212 143 G HA3 0.423 4.383 3.960 -0.000 0.000 0.212 143 G C 0.528 175.414 174.900 -0.023 0.000 1.173 143 G CA 0.543 45.632 45.100 -0.018 0.000 0.779 143 G HN 0.770 nan 8.290 nan 0.000 0.540 144 A N 0.163 122.912 122.820 -0.119 0.000 2.371 144 A HA 0.607 4.927 4.320 -0.000 0.000 0.257 144 A C 0.217 177.766 177.584 -0.059 0.000 1.089 144 A CA -0.480 51.411 52.037 -0.243 0.000 0.794 144 A CB 0.494 19.033 19.000 -0.768 0.000 1.029 144 A HN 0.238 nan 8.150 nan 0.000 0.488 145 I N 1.431 122.098 120.570 0.162 0.000 2.588 145 I HA 0.226 4.396 4.170 -0.000 0.000 0.283 145 I C 1.068 177.284 176.117 0.166 0.000 1.119 145 I CA 0.094 61.513 61.300 0.198 0.000 1.419 145 I CB 1.117 39.297 38.000 0.300 0.000 1.394 145 I HN 0.716 nan 8.210 nan 0.000 0.562 146 A N 6.297 129.173 122.820 0.093 0.000 2.409 146 A HA 0.260 4.580 4.320 -0.000 0.000 0.267 146 A C 0.780 178.380 177.584 0.027 0.000 1.127 146 A CA -0.406 51.666 52.037 0.058 0.000 0.795 146 A CB 0.379 19.410 19.000 0.051 0.000 1.061 146 A HN 0.744 nan 8.150 nan 0.000 0.502 147 L N 2.160 123.333 121.223 -0.084 0.000 2.093 147 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 147 L C 0.876 177.377 176.870 -0.614 0.000 1.085 147 L CA 1.594 56.219 54.840 -0.358 0.000 0.755 147 L CB -0.422 41.280 42.059 -0.595 0.000 0.904 147 L HN 0.707 nan 8.230 nan 0.000 0.435 148 H N -1.808 117.139 119.070 -0.206 0.000 2.529 148 H HA 0.107 4.663 4.556 -0.000 0.000 0.348 148 H C 0.089 175.409 175.328 -0.013 0.000 1.079 148 H CA -0.556 55.414 56.048 -0.131 0.000 1.198 148 H CB 1.635 31.262 29.762 -0.226 0.000 1.521 148 H HN -0.065 nan 8.280 nan 0.000 0.514 149 D N 1.423 121.889 120.400 0.110 0.000 2.221 149 D HA -0.179 4.461 4.640 -0.000 0.000 0.204 149 D C 1.358 177.716 176.300 0.096 0.000 0.982 149 D CA 1.448 55.500 54.000 0.087 0.000 0.857 149 D CB 0.322 41.167 40.800 0.075 0.000 0.934 149 D HN 0.638 nan 8.370 nan 0.000 0.475 150 D N -0.878 119.593 120.400 0.118 0.000 2.349 150 D HA -0.083 4.557 4.640 -0.000 0.000 0.224 150 D C -0.006 176.363 176.300 0.116 0.000 1.029 150 D CA 0.420 54.480 54.000 0.101 0.000 0.879 150 D CB 0.063 40.915 40.800 0.086 0.000 0.906 150 D HN 0.056 nan 8.370 nan 0.000 0.528 151 K N 0.913 121.407 120.400 0.156 0.000 2.753 151 K HA 0.248 4.568 4.320 -0.000 0.000 0.185 151 K C -2.157 174.529 176.600 0.145 0.000 1.071 151 K CA -1.714 54.676 56.287 0.172 0.000 0.999 151 K CB 2.047 34.719 32.500 0.286 0.000 1.244 151 K HN -0.102 nan 8.250 nan 0.000 0.594 152 P HA -0.180 nan 4.420 nan 0.000 0.218 152 P C 0.583 177.915 177.300 0.053 0.000 1.146 152 P CA 1.349 64.489 63.100 0.067 0.000 0.813 152 P CB 0.220 31.950 31.700 0.050 0.000 0.778 153 N N -1.973 116.766 118.700 0.066 0.000 2.268 153 N HA 0.012 4.752 4.740 -0.000 0.000 0.204 153 N C 0.146 175.693 175.510 0.061 0.000 1.124 153 N CA -0.282 52.792 53.050 0.041 0.000 0.838 153 N CB -1.192 37.321 38.487 0.044 0.000 0.994 153 N HN -0.110 nan 8.380 nan 0.000 0.489 154 N N -0.177 118.601 118.700 0.129 0.000 2.778 154 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 154 N C -1.010 174.621 175.510 0.202 0.000 1.069 154 N CA 0.687 53.880 53.050 0.238 0.000 0.831 154 N CB -1.399 37.174 38.487 0.142 0.000 1.142 154 N HN 0.517 nan 8.380 nan 0.000 0.573 155 I N 1.584 122.232 120.570 0.131 0.000 2.291 155 I HA 0.029 4.199 4.170 -0.000 0.000 0.290 155 I C 1.731 177.849 176.117 0.002 0.000 1.050 155 I CA -0.475 60.870 61.300 0.074 0.000 1.245 155 I CB 0.967 39.052 38.000 0.142 0.000 1.405 155 I HN -0.038 nan 8.210 nan 0.000 0.478 156 L N 6.364 127.457 121.223 -0.217 0.000 2.046 156 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 156 L C 0.792 177.597 176.870 -0.108 0.000 1.077 156 L CA 1.929 56.594 54.840 -0.292 0.000 0.747 156 L CB -0.244 41.434 42.059 -0.635 0.000 0.896 156 L HN 0.645 nan 8.230 nan 0.000 0.432 157 R N -0.401 120.049 120.500 -0.083 0.000 2.594 157 R HA 0.456 4.796 4.340 -0.000 0.000 0.265 157 R C -1.530 174.721 176.300 -0.082 0.000 1.070 157 R CA -0.514 55.549 56.100 -0.062 0.000 0.909 157 R CB 1.105 31.362 30.300 -0.071 0.000 1.243 157 R HN 0.256 nan 8.270 nan 0.000 0.455 158 E N 1.772 121.891 120.200 -0.135 0.000 2.256 158 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 158 E C -1.073 175.245 176.600 -0.470 0.000 0.892 158 E CA -1.238 54.946 56.400 -0.361 0.000 0.775 158 E CB 2.701 32.268 29.700 -0.222 0.000 1.207 158 E HN 0.264 nan 8.360 nan 0.000 0.420 159 V N 2.792 122.217 119.914 -0.815 0.000 2.588 159 V HA 0.333 4.453 4.120 -0.000 0.000 0.304 159 V C -0.908 174.611 176.094 -0.958 0.000 1.042 159 V CA -0.819 61.103 62.300 -0.630 0.000 0.877 159 V CB 1.658 33.206 31.823 -0.458 0.000 0.996 159 V HN 0.652 nan 8.190 nan 0.000 0.425 160 H N 3.353 122.278 119.070 -0.241 0.000 3.177 160 H HA 0.750 5.306 4.556 -0.000 0.000 0.314 160 H C -0.337 174.920 175.328 -0.118 0.000 1.059 160 H CA -0.120 55.806 56.048 -0.204 0.000 1.515 160 H CB 2.004 31.674 29.762 -0.154 0.000 1.672 160 H HN 0.837 nan 8.280 nan 0.000 0.514 161 A N 2.654 125.483 122.820 0.014 0.000 2.435 161 A HA 0.649 4.969 4.320 -0.000 0.000 0.304 161 A C -0.705 176.829 177.584 -0.082 0.000 1.064 161 A CA -0.699 51.297 52.037 -0.069 0.000 0.727 161 A CB 2.331 21.344 19.000 0.022 0.000 1.284 161 A HN 0.622 nan 8.150 nan 0.000 0.415 162 E N 0.479 120.496 120.200 -0.304 0.000 2.263 162 E HA 0.518 4.868 4.350 -0.000 0.000 0.268 162 E C -1.999 174.370 176.600 -0.385 0.000 0.884 162 E CA -0.226 56.077 56.400 -0.160 0.000 0.766 162 E CB 1.742 31.418 29.700 -0.040 0.000 1.196 162 E HN 0.490 nan 8.360 nan 0.000 0.416 163 F N 1.918 121.945 119.950 0.127 0.000 2.427 163 F HA 0.559 5.086 4.527 -0.000 0.000 0.348 163 F C 0.879 176.727 175.800 0.080 0.000 1.125 163 F CA -0.040 58.032 58.000 0.120 0.000 0.989 163 F CB 1.822 40.947 39.000 0.208 0.000 1.165 163 F HN 0.685 nan 8.300 nan 0.000 0.442 164 G N 2.594 111.501 108.800 0.178 0.000 2.760 164 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 164 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 164 G C -1.271 173.677 174.900 0.079 0.000 1.359 164 G CA -0.905 44.263 45.100 0.114 0.000 0.861 164 G HN 0.669 nan 8.290 nan 0.000 0.541 165 D N 0.148 120.585 120.400 0.062 0.000 2.441 165 D HA 0.436 5.076 4.640 -0.000 0.000 0.221 165 D C 1.747 178.089 176.300 0.070 0.000 1.156 165 D CA 0.091 54.126 54.000 0.059 0.000 0.896 165 D CB 0.929 41.757 40.800 0.047 0.000 1.028 165 D HN 0.321 nan 8.370 nan 0.000 0.509 166 V N 3.925 123.900 119.914 0.102 0.000 2.427 166 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 166 V C 2.476 178.711 176.094 0.236 0.000 1.051 166 V CA 1.902 64.292 62.300 0.151 0.000 1.048 166 V CB -0.662 31.294 31.823 0.222 0.000 0.666 166 V HN 0.628 nan 8.190 nan 0.000 0.456 167 A N 0.215 123.149 122.820 0.190 0.000 1.902 167 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 167 A C 2.409 180.090 177.584 0.161 0.000 1.181 167 A CA 2.028 54.179 52.037 0.189 0.000 0.623 167 A CB -0.746 18.321 19.000 0.112 0.000 0.818 167 A HN 0.558 nan 8.150 nan 0.000 0.443 168 A N -0.334 122.549 122.820 0.105 0.000 1.969 168 A HA 0.244 4.564 4.320 -0.000 0.000 0.218 168 A C 2.443 180.064 177.584 0.062 0.000 1.169 168 A CA 1.803 53.886 52.037 0.075 0.000 0.635 168 A CB -0.833 18.198 19.000 0.052 0.000 0.810 168 A HN 0.969 nan 8.150 nan 0.000 0.445 169 A N -1.066 121.774 122.820 0.034 0.000 1.898 169 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 169 A C 1.867 179.404 177.584 -0.079 0.000 1.181 169 A CA 1.401 53.401 52.037 -0.060 0.000 0.620 169 A CB -0.713 18.194 19.000 -0.155 0.000 0.819 169 A HN 0.437 nan 8.150 nan 0.000 0.442 170 F N 0.165 120.136 119.950 0.035 0.000 2.365 170 F HA -0.008 4.519 4.527 -0.000 0.000 0.300 170 F C 2.619 178.434 175.800 0.025 0.000 1.090 170 F CA 0.679 58.697 58.000 0.030 0.000 1.408 170 F CB -0.263 38.757 39.000 0.033 0.000 1.060 170 F HN 0.261 nan 8.300 nan 0.000 0.534 171 A N -0.823 122.111 122.820 0.191 0.000 2.014 171 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 171 A C 2.099 179.731 177.584 0.081 0.000 1.163 171 A CA 1.314 53.422 52.037 0.119 0.000 0.652 171 A CB -0.574 18.479 19.000 0.089 0.000 0.808 171 A HN 0.393 nan 8.150 nan 0.000 0.449 172 E N -0.351 119.885 120.200 0.061 0.000 2.435 172 E HA 0.231 4.581 4.350 -0.000 0.000 0.195 172 E C 0.730 177.349 176.600 0.032 0.000 1.029 172 E CA 0.178 56.599 56.400 0.035 0.000 0.865 172 E CB -0.020 29.690 29.700 0.016 0.000 0.833 172 E HN 0.602 nan 8.360 nan 0.000 0.510 173 A N 0.934 123.784 122.820 0.050 0.000 2.371 173 A HA 0.064 4.384 4.320 -0.000 0.000 0.257 173 A C 0.341 177.958 177.584 0.054 0.000 1.089 173 A CA -0.312 51.754 52.037 0.048 0.000 0.794 173 A CB 0.482 19.533 19.000 0.085 0.000 1.029 173 A HN 0.096 nan 8.150 nan 0.000 0.488 174 D N -0.373 120.050 120.400 0.038 0.000 2.301 174 D HA 0.134 4.774 4.640 -0.000 0.000 0.206 174 D C -0.243 176.079 176.300 0.036 0.000 0.979 174 D CA 0.875 54.895 54.000 0.033 0.000 0.874 174 D CB 0.309 41.121 40.800 0.021 0.000 0.968 174 D HN 0.304 nan 8.370 nan 0.000 0.510 175 L N 0.796 122.044 121.223 0.041 0.000 2.464 175 L HA 0.452 4.792 4.340 -0.000 0.000 0.266 175 L C -1.720 175.189 176.870 0.066 0.000 0.965 175 L CA -0.511 54.353 54.840 0.039 0.000 0.833 175 L CB 2.193 44.264 42.059 0.020 0.000 1.296 175 L HN -0.230 nan 8.230 nan 0.000 0.405 176 I N 5.190 125.803 120.570 0.071 0.000 2.499 176 I HA 0.606 4.776 4.170 -0.000 0.000 0.288 176 I C -0.562 175.584 176.117 0.048 0.000 1.048 176 I CA -0.740 60.622 61.300 0.104 0.000 1.062 176 I CB 1.621 39.692 38.000 0.118 0.000 1.238 176 I HN 0.512 nan 8.210 nan 0.000 0.426 177 R N 4.173 124.701 120.500 0.047 0.000 2.771 177 R HA 0.637 4.977 4.340 -0.000 0.000 0.274 177 R C -1.208 175.105 176.300 0.022 0.000 0.987 177 R CA -0.898 55.212 56.100 0.016 0.000 0.908 177 R CB 2.724 33.025 30.300 0.002 0.000 1.213 177 R HN 0.643 nan 8.270 nan 0.000 0.468 178 E N 1.046 121.249 120.200 0.005 0.000 2.356 178 E HA 0.460 4.810 4.350 -0.000 0.000 0.275 178 E C -1.576 175.018 176.600 -0.009 0.000 0.904 178 E CA -0.563 55.847 56.400 0.017 0.000 0.757 178 E CB 2.685 32.384 29.700 -0.001 0.000 1.232 178 E HN 0.429 nan 8.360 nan 0.000 0.442 179 K N 1.317 121.714 120.400 -0.004 0.000 2.551 179 K HA 0.429 4.749 4.320 -0.000 0.000 0.269 179 K C -1.699 174.805 176.600 -0.160 0.000 0.949 179 K CA -0.530 55.673 56.287 -0.140 0.000 0.849 179 K CB 2.303 34.648 32.500 -0.260 0.000 1.411 179 K HN 0.437 nan 8.250 nan 0.000 0.432 180 T N 2.421 116.817 114.554 -0.262 0.000 2.794 180 T HA 0.470 4.820 4.350 -0.000 0.000 0.280 180 T C -1.427 173.060 174.700 -0.354 0.000 0.987 180 T CA -0.282 61.733 62.100 -0.141 0.000 0.993 180 T CB 0.291 69.133 68.868 -0.044 0.000 0.939 180 T HN 0.317 nan 8.240 nan 0.000 0.449 181 Y N 1.264 121.585 120.300 0.036 0.000 2.446 181 Y HA 0.583 5.133 4.550 -0.000 0.000 0.345 181 Y C 0.859 176.664 175.900 -0.159 0.000 0.984 181 Y CA -1.007 57.051 58.100 -0.069 0.000 1.058 181 Y CB 1.998 40.458 38.460 0.000 0.000 1.220 181 Y HN 0.642 nan 8.280 nan 0.000 0.455 182 T N -0.674 113.755 114.554 -0.209 0.000 2.887 182 T HA 0.779 5.129 4.350 -0.000 0.000 0.288 182 T C -1.260 173.153 174.700 -0.478 0.000 1.021 182 T CA -0.790 61.156 62.100 -0.258 0.000 1.000 182 T CB 0.996 69.817 68.868 -0.079 0.000 1.034 182 T HN 0.285 nan 8.240 nan 0.000 0.467 183 F N 1.206 121.036 119.950 -0.199 0.000 2.507 183 F HA 0.689 5.216 4.527 -0.000 0.000 0.328 183 F C 0.691 176.434 175.800 -0.096 0.000 1.136 183 F CA -1.093 56.868 58.000 -0.065 0.000 0.930 183 F CB 1.575 40.507 39.000 -0.112 0.000 1.166 183 F HN 1.004 nan 8.300 nan 0.000 0.436 184 A N 2.259 125.231 122.820 0.254 0.000 2.448 184 A HA 0.188 4.508 4.320 -0.000 0.000 0.239 184 A C 0.341 178.110 177.584 0.308 0.000 1.080 184 A CA -0.337 51.900 52.037 0.334 0.000 0.779 184 A CB 0.179 19.326 19.000 0.245 0.000 1.026 184 A HN 0.822 nan 8.150 nan 0.000 0.499 185 E N 0.128 120.552 120.200 0.374 0.000 2.373 185 E HA 0.405 4.755 4.350 -0.000 0.000 0.267 185 E C -0.377 176.374 176.600 0.252 0.000 1.032 185 E CA -0.332 56.264 56.400 0.327 0.000 0.889 185 E CB 0.564 30.497 29.700 0.388 0.000 0.984 185 E HN 0.627 nan 8.360 nan 0.000 0.425 186 V N 1.417 121.474 119.914 0.237 0.000 3.102 186 V HA 0.582 4.702 4.120 -0.000 0.000 0.312 186 V C -0.531 175.677 176.094 0.190 0.000 1.135 186 V CA -1.171 61.282 62.300 0.255 0.000 1.022 186 V CB 1.816 33.743 31.823 0.173 0.000 1.056 186 V HN 0.792 nan 8.190 nan 0.000 0.436 187 N N -0.687 118.080 118.700 0.110 0.000 2.292 187 N HA 0.394 5.134 4.740 -0.000 0.000 0.303 187 N C 0.295 175.710 175.510 -0.158 0.000 1.140 187 N CA -0.431 52.582 53.050 -0.061 0.000 0.788 187 N CB 2.263 40.719 38.487 -0.052 0.000 1.361 187 N HN 0.890 nan 8.380 nan 0.000 0.489 188 H N 0.675 119.736 119.070 -0.016 0.000 2.457 188 H HA 0.051 4.607 4.556 -0.000 0.000 0.294 188 H C 0.677 175.957 175.328 -0.080 0.000 1.064 188 H CA 0.628 56.681 56.048 0.009 0.000 1.330 188 H CB -0.072 29.804 29.762 0.191 0.000 1.395 188 H HN 0.301 nan 8.280 nan 0.000 0.541 189 V N 2.445 122.279 119.914 -0.133 0.000 5.637 189 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 189 V C -0.254 175.790 176.094 -0.083 0.000 0.678 189 V CA 1.038 63.178 62.300 -0.267 0.000 0.578 189 V CB -2.769 28.997 31.823 -0.095 0.000 0.235 189 V HN 0.718 nan 8.190 nan 0.000 0.609 190 H N 0.293 119.479 119.070 0.192 0.000 2.897 190 H HA 0.414 4.970 4.556 -0.000 0.000 0.347 190 H C 0.931 176.329 175.328 0.117 0.000 1.068 190 H CA -0.508 55.724 56.048 0.306 0.000 1.426 190 H CB 0.382 30.290 29.762 0.244 0.000 1.410 190 H HN 0.159 nan 8.280 nan 0.000 0.597 191 M N 0.440 120.182 119.600 0.236 0.000 2.394 191 M HA -0.025 4.455 4.480 -0.000 0.000 0.264 191 M C 0.671 177.009 176.300 0.064 0.000 1.073 191 M CA 0.765 56.123 55.300 0.095 0.000 1.111 191 M CB -0.835 31.803 32.600 0.063 0.000 1.401 191 M HN 0.868 nan 8.290 nan 0.000 0.448 192 E N 1.562 121.833 120.200 0.118 0.000 2.289 192 E HA 0.255 4.605 4.350 -0.000 0.000 0.278 192 E C -0.789 175.887 176.600 0.126 0.000 1.032 192 E CA -0.247 56.179 56.400 0.044 0.000 0.854 192 E CB 0.851 30.547 29.700 -0.005 0.000 1.046 192 E HN 0.254 nan 8.360 nan 0.000 0.409 193 L N 3.803 125.043 121.223 0.028 0.000 2.439 193 L HA 0.124 4.464 4.340 -0.000 0.000 0.269 193 L C 0.717 177.570 176.870 -0.029 0.000 1.179 193 L CA -0.673 54.169 54.840 0.003 0.000 0.828 193 L CB 0.261 42.296 42.059 -0.040 0.000 1.106 193 L HN 0.584 nan 8.230 nan 0.000 0.467 194 N N 1.541 120.181 118.700 -0.100 0.000 2.441 194 N HA 0.442 5.182 4.740 -0.000 0.000 0.251 194 N C -0.383 174.901 175.510 -0.377 0.000 1.242 194 N CA 0.173 53.032 53.050 -0.317 0.000 0.898 194 N CB 1.115 39.136 38.487 -0.776 0.000 1.100 194 N HN 0.727 nan 8.380 nan 0.000 0.443 195 A N 0.577 123.255 122.820 -0.237 0.000 2.599 195 A HA 0.674 4.994 4.320 -0.000 0.000 0.294 195 A C -1.075 176.581 177.584 0.119 0.000 1.055 195 A CA -0.656 51.331 52.037 -0.082 0.000 0.683 195 A CB 1.212 20.200 19.000 -0.020 0.000 1.278 195 A HN 0.449 nan 8.150 nan 0.000 0.412 196 T N 1.219 115.853 114.554 0.133 0.000 2.971 196 T HA 0.545 4.895 4.350 -0.000 0.000 0.304 196 T C -1.493 173.258 174.700 0.084 0.000 1.038 196 T CA -0.298 61.889 62.100 0.145 0.000 1.007 196 T CB 1.338 70.322 68.868 0.193 0.000 1.055 196 T HN 1.134 nan 8.240 nan 0.000 0.451 197 L N 3.409 124.668 121.223 0.061 0.000 2.298 197 L HA 0.863 5.202 4.340 -0.000 0.000 0.284 197 L C -0.598 176.294 176.870 0.037 0.000 1.013 197 L CA -0.464 54.404 54.840 0.046 0.000 0.824 197 L CB 0.603 42.686 42.059 0.039 0.000 1.221 197 L HN 0.792 nan 8.230 nan 0.000 0.418 198 A N 4.831 127.675 122.820 0.041 0.000 2.304 198 A HA 0.695 5.015 4.320 -0.000 0.000 0.314 198 A C -0.677 176.941 177.584 0.056 0.000 1.187 198 A CA -0.537 51.525 52.037 0.041 0.000 0.810 198 A CB 0.495 19.518 19.000 0.039 0.000 1.183 198 A HN 0.729 nan 8.150 nan 0.000 0.487 199 E N 1.815 122.047 120.200 0.054 0.000 2.114 199 E HA 0.276 4.626 4.350 -0.000 0.000 0.266 199 E C -1.786 174.870 176.600 0.094 0.000 0.896 199 E CA -0.334 56.102 56.400 0.059 0.000 0.750 199 E CB 1.817 31.531 29.700 0.023 0.000 1.121 199 E HN 0.635 nan 8.360 nan 0.000 0.413 200 Y N 2.771 123.068 120.300 -0.006 0.000 2.331 200 Y HA 0.200 4.750 4.550 -0.000 0.000 0.338 200 Y C -0.676 175.222 175.900 -0.003 0.000 0.992 200 Y CA -1.014 57.082 58.100 -0.006 0.000 1.121 200 Y CB 1.091 39.549 38.460 -0.003 0.000 1.184 200 Y HN 0.346 nan 8.280 nan 0.000 0.469 201 D N 8.794 128.801 120.400 -0.654 0.000 2.443 201 D HA 0.263 4.903 4.640 -0.000 0.000 0.221 201 D C -2.079 173.778 176.300 -0.738 0.000 1.097 201 D CA -2.661 51.056 54.000 -0.472 0.000 0.865 201 D CB 1.733 42.356 40.800 -0.294 0.000 1.034 201 D HN 0.375 nan 8.370 nan 0.000 0.511 202 P HA -0.078 nan 4.420 nan 0.000 0.229 202 P C 1.340 178.572 177.300 -0.114 0.000 1.160 202 P CA 0.173 63.150 63.100 -0.205 0.000 0.777 202 P CB 0.653 32.413 31.700 0.100 0.000 0.814 203 V N 0.898 120.741 119.914 -0.120 0.000 2.379 203 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 203 V C 2.485 178.534 176.094 -0.076 0.000 1.044 203 V CA 1.747 64.005 62.300 -0.069 0.000 1.036 203 V CB -0.989 30.799 31.823 -0.057 0.000 0.664 203 V HN 0.119 nan 8.190 nan 0.000 0.453 204 R N -0.568 119.858 120.500 -0.123 0.000 2.334 204 R HA 0.139 4.479 4.340 -0.000 0.000 0.212 204 R C 0.381 176.614 176.300 -0.111 0.000 0.897 204 R CA 0.404 56.444 56.100 -0.099 0.000 1.056 204 R CB 0.146 30.388 30.300 -0.096 0.000 1.046 204 R HN 0.454 nan 8.270 nan 0.000 0.513 205 D N 1.190 121.471 120.400 -0.197 0.000 2.828 205 D HA -0.175 4.465 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 1.064 54.981 54.000 -0.138 0.000 0.755 205 D CB -0.566 40.267 40.800 0.056 0.000 1.014 205 D HN 0.171 nan 8.370 nan 0.000 0.420 206 M N 0.861 120.292 119.600 -0.280 0.000 2.386 206 M HA 0.461 4.941 4.480 -0.000 0.000 0.293 206 M C -0.973 175.254 176.300 -0.122 0.000 1.120 206 M CA -1.178 54.047 55.300 -0.124 0.000 0.909 206 M CB 2.149 34.687 32.600 -0.102 0.000 1.661 206 M HN 0.137 nan 8.290 nan 0.000 0.452 207 L N 1.970 123.203 121.223 0.016 0.000 2.362 207 L HA 0.744 5.084 4.340 -0.000 0.000 0.275 207 L C -1.051 175.817 176.870 -0.004 0.000 0.998 207 L CA 0.342 55.226 54.840 0.074 0.000 0.820 207 L CB 2.217 44.369 42.059 0.155 0.000 1.270 207 L HN 0.701 nan 8.230 nan 0.000 0.415 208 T N 6.096 120.647 114.554 -0.006 0.000 2.812 208 T HA 0.664 5.014 4.350 -0.000 0.000 0.282 208 T C -0.692 173.995 174.700 -0.021 0.000 0.990 208 T CA -0.326 61.756 62.100 -0.031 0.000 0.960 208 T CB 1.028 69.880 68.868 -0.026 0.000 0.948 208 T HN 0.454 nan 8.240 nan 0.000 0.438 209 L N 3.524 124.721 121.223 -0.043 0.000 2.365 209 L HA 0.575 4.915 4.340 -0.000 0.000 0.273 209 L C -0.017 176.838 176.870 -0.024 0.000 1.000 209 L CA -0.952 53.870 54.840 -0.030 0.000 0.819 209 L CB 1.696 43.724 42.059 -0.052 0.000 1.284 209 L HN 0.485 nan 8.230 nan 0.000 0.418 210 N N 1.079 119.778 118.700 -0.001 0.000 2.372 210 N HA 0.494 5.234 4.740 -0.000 0.000 0.285 210 N C -1.083 174.442 175.510 0.025 0.000 1.008 210 N CA -0.113 52.940 53.050 0.006 0.000 0.880 210 N CB 2.607 41.104 38.487 0.016 0.000 1.239 210 N HN 0.539 nan 8.380 nan 0.000 0.484 211 T N -0.575 113.992 114.554 0.023 0.000 2.868 211 T HA 0.253 4.603 4.350 -0.000 0.000 0.306 211 T C -0.538 174.194 174.700 0.054 0.000 1.224 211 T CA -0.532 61.601 62.100 0.055 0.000 1.012 211 T CB 1.020 69.906 68.868 0.030 0.000 1.221 211 T HN 0.435 nan 8.240 nan 0.000 0.499 212 T N 1.047 115.662 114.554 0.102 0.000 3.781 212 T HA 0.459 4.809 4.350 -0.000 0.000 0.286 212 T C 0.169 174.882 174.700 0.022 0.000 1.277 212 T CA -0.409 61.727 62.100 0.061 0.000 1.136 212 T CB -0.549 68.355 68.868 0.060 0.000 1.202 212 T HN 0.521 nan 8.240 nan 0.000 0.884 213 T N 1.503 116.047 114.554 -0.015 0.000 2.900 213 T HA 0.351 4.701 4.350 -0.000 0.000 0.295 213 T C 0.542 175.208 174.700 -0.056 0.000 1.044 213 T CA -0.697 61.380 62.100 -0.038 0.000 0.995 213 T CB 1.969 70.816 68.868 -0.035 0.000 1.072 213 T HN 0.502 nan 8.240 nan 0.000 0.473 214 Q N 1.380 121.147 119.800 -0.056 0.000 2.356 214 Q HA 0.223 4.563 4.340 -0.000 0.000 0.205 214 Q C 0.546 176.522 176.000 -0.039 0.000 0.901 214 Q CA 0.104 55.874 55.803 -0.055 0.000 0.938 214 Q CB 0.661 29.372 28.738 -0.045 0.000 1.081 214 Q HN 0.525 nan 8.270 nan 0.000 0.517 215 V N -2.738 117.149 119.914 -0.045 0.000 2.405 215 V HA 0.277 4.397 4.120 -0.000 0.000 0.253 215 V C -2.298 173.767 176.094 -0.048 0.000 0.963 215 V CA -1.604 60.627 62.300 -0.115 0.000 1.003 215 V CB 0.578 32.260 31.823 -0.234 0.000 1.251 215 V HN -0.096 nan 8.190 nan 0.000 0.520 216 P HA -0.238 nan 4.420 nan 0.000 0.218 216 P C 1.411 178.794 177.300 0.138 0.000 1.148 216 P CA 1.627 64.752 63.100 0.041 0.000 0.822 216 P CB 0.229 31.945 31.700 0.027 0.000 0.784 217 Y N -0.306 119.988 120.300 -0.009 0.000 2.163 217 Y HA -0.257 4.293 4.550 -0.000 0.000 0.288 217 Y C 2.415 178.408 175.900 0.155 0.000 1.136 217 Y CA 1.410 59.538 58.100 0.047 0.000 1.147 217 Y CB -0.711 37.744 38.460 -0.008 0.000 0.987 217 Y HN -0.217 nan 8.280 nan 0.000 0.509 218 Y N -0.280 119.966 120.300 -0.090 0.000 2.224 218 Y HA -0.204 4.346 4.550 -0.000 0.000 0.289 218 Y C 2.643 178.445 175.900 -0.164 0.000 1.146 218 Y CA 0.820 58.784 58.100 -0.227 0.000 1.182 218 Y CB -1.261 37.151 38.460 -0.080 0.000 0.983 218 Y HN 0.067 nan 8.280 nan 0.000 0.524 219 V N -0.499 119.457 119.914 0.069 0.000 2.343 219 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 219 V C 2.247 178.339 176.094 -0.002 0.000 1.051 219 V CA 2.285 64.571 62.300 -0.022 0.000 1.036 219 V CB -0.814 30.981 31.823 -0.047 0.000 0.654 219 V HN 0.465 nan 8.190 nan 0.000 0.451 220 H N -0.546 118.490 119.070 -0.057 0.000 2.319 220 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 220 H C 2.260 177.530 175.328 -0.096 0.000 1.092 220 H CA 1.824 57.842 56.048 -0.050 0.000 1.302 220 H CB 0.043 29.810 29.762 0.009 0.000 1.373 220 H HN 0.303 nan 8.280 nan 0.000 0.497 221 L N 0.193 121.402 121.223 -0.024 0.000 2.027 221 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 221 L C 2.414 179.233 176.870 -0.086 0.000 1.074 221 L CA 0.997 55.751 54.840 -0.144 0.000 0.745 221 L CB -0.237 41.594 42.059 -0.379 0.000 0.898 221 L HN 0.236 nan 8.230 nan 0.000 0.433 222 K N -0.245 120.097 120.400 -0.095 0.000 2.155 222 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 222 K C 2.097 178.635 176.600 -0.104 0.000 1.052 222 K CA 0.799 57.025 56.287 -0.103 0.000 0.948 222 K CB -0.440 31.957 32.500 -0.171 0.000 0.728 222 K HN 0.148 nan 8.250 nan 0.000 0.448 223 V N 1.726 121.583 119.914 -0.095 0.000 2.358 223 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 223 V C 2.457 178.535 176.094 -0.026 0.000 1.047 223 V CA 1.881 64.132 62.300 -0.083 0.000 1.035 223 V CB -0.727 31.043 31.823 -0.089 0.000 0.658 223 V HN 0.253 nan 8.190 nan 0.000 0.452 224 A N 0.018 122.847 122.820 0.015 0.000 1.877 224 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 224 A C 2.413 180.010 177.584 0.020 0.000 1.186 224 A CA 2.203 54.264 52.037 0.040 0.000 0.620 224 A CB -0.792 18.255 19.000 0.079 0.000 0.822 224 A HN 0.559 nan 8.150 nan 0.000 0.443 225 A N -1.144 121.680 122.820 0.007 0.000 1.873 225 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 225 A C 2.296 179.898 177.584 0.031 0.000 1.186 225 A CA 1.669 53.716 52.037 0.017 0.000 0.616 225 A CB -1.203 17.804 19.000 0.012 0.000 0.823 225 A HN 0.601 nan 8.150 nan 0.000 0.442 226 C N -0.739 118.574 119.300 0.022 0.000 2.450 226 C HA 0.106 4.566 4.460 -0.000 0.000 0.279 226 C C 2.314 177.324 174.990 0.033 0.000 1.335 226 C CA 0.609 59.654 59.018 0.045 0.000 1.749 226 C CB -1.231 26.521 27.740 0.021 0.000 1.963 226 C HN 0.572 nan 8.230 nan 0.000 0.501 227 L N -0.137 121.091 121.223 0.008 0.000 2.592 227 L HA 0.059 4.399 4.340 -0.000 0.000 0.227 227 L C 0.662 177.540 176.870 0.013 0.000 1.127 227 L CA 0.501 55.342 54.840 0.001 0.000 0.884 227 L CB -0.580 41.469 42.059 -0.017 0.000 1.065 227 L HN 0.438 nan 8.230 nan 0.000 0.457 228 Q N 0.549 120.363 119.800 0.024 0.000 2.452 228 Q HA -0.208 4.132 4.340 -0.000 0.000 0.318 228 Q C -0.161 175.857 176.000 0.031 0.000 1.386 228 Q CA 0.712 56.533 55.803 0.029 0.000 0.872 228 Q CB -1.156 27.600 28.738 0.030 0.000 1.151 228 Q HN 0.484 nan 8.270 nan 0.000 0.417 229 M N 0.316 119.937 119.600 0.035 0.000 2.393 229 M HA 0.314 4.794 4.480 -0.000 0.000 0.316 229 M C -0.541 175.792 176.300 0.054 0.000 1.087 229 M CA -0.675 54.654 55.300 0.048 0.000 0.937 229 M CB 1.461 34.093 32.600 0.053 0.000 1.668 229 M HN 0.109 nan 8.290 nan 0.000 0.438 230 D N 2.185 122.619 120.400 0.057 0.000 2.488 230 D HA -0.009 4.631 4.640 -0.000 0.000 0.238 230 D C 0.830 177.180 176.300 0.083 0.000 1.138 230 D CA 0.492 54.527 54.000 0.058 0.000 0.873 230 D CB 1.162 41.992 40.800 0.050 0.000 1.183 230 D HN 0.837 nan 8.370 nan 0.000 0.458 231 S N 2.884 118.637 115.700 0.089 0.000 2.419 231 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 231 S C 1.821 176.544 174.600 0.206 0.000 1.019 231 S CA 0.878 59.176 58.200 0.162 0.000 0.982 231 S CB -0.092 63.131 63.200 0.037 0.000 0.789 231 S HN 0.538 nan 8.310 nan 0.000 0.490 232 A N 1.527 124.413 122.820 0.110 0.000 2.168 232 A HA 0.159 4.479 4.320 -0.000 0.000 0.215 232 A C 2.124 179.758 177.584 0.084 0.000 1.152 232 A CA 0.401 52.493 52.037 0.093 0.000 0.716 232 A CB -0.326 18.705 19.000 0.053 0.000 0.794 232 A HN 0.545 nan 8.150 nan 0.000 0.465 233 R N -0.959 119.591 120.500 0.083 0.000 2.359 233 R HA 0.395 4.735 4.340 -0.000 0.000 0.231 233 R C -0.687 175.637 176.300 0.039 0.000 0.913 233 R CA 0.096 56.228 56.100 0.054 0.000 1.075 233 R CB 0.205 30.541 30.300 0.060 0.000 1.087 233 R HN 0.409 nan 8.270 nan 0.000 0.515 234 I N 0.452 121.048 120.570 0.043 0.000 2.509 234 I HA 0.338 4.508 4.170 -0.000 0.000 0.293 234 I C -0.366 175.631 176.117 -0.200 0.000 1.020 234 I CA -0.963 60.283 61.300 -0.091 0.000 1.088 234 I CB 2.144 40.046 38.000 -0.163 0.000 1.267 234 I HN -0.124 nan 8.210 nan 0.000 0.430 235 R N 5.208 125.586 120.500 -0.204 0.000 2.561 235 R HA 0.759 5.099 4.340 -0.000 0.000 0.297 235 R C -2.002 174.181 176.300 -0.196 0.000 0.969 235 R CA -0.509 55.496 56.100 -0.159 0.000 0.879 235 R CB 1.998 32.264 30.300 -0.058 0.000 1.178 235 R HN 0.445 nan 8.270 nan 0.000 0.445 236 V N 6.484 126.294 119.914 -0.174 0.000 2.448 236 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 236 V C -0.243 175.827 176.094 -0.040 0.000 1.025 236 V CA -0.634 61.599 62.300 -0.111 0.000 0.859 236 V CB 1.753 33.513 31.823 -0.105 0.000 0.988 236 V HN 0.677 nan 8.190 nan 0.000 0.431 237 I N 4.349 124.896 120.570 -0.039 0.000 2.498 237 I HA 0.493 4.663 4.170 -0.000 0.000 0.290 237 I C -0.252 175.843 176.117 -0.036 0.000 1.032 237 I CA -0.653 60.627 61.300 -0.034 0.000 1.073 237 I CB 2.097 40.077 38.000 -0.032 0.000 1.251 237 I HN 0.480 nan 8.210 nan 0.000 0.426 238 K N 8.189 128.559 120.400 -0.051 0.000 2.316 238 K HA 0.496 4.816 4.320 -0.000 0.000 0.267 238 K C -2.496 174.047 176.600 -0.094 0.000 1.025 238 K CA -1.485 54.766 56.287 -0.059 0.000 0.896 238 K CB 1.478 33.936 32.500 -0.071 0.000 1.124 238 K HN 0.275 nan 8.250 nan 0.000 0.451 239 P HA 0.156 nan 4.420 nan 0.000 0.333 239 P C -0.220 176.982 177.300 -0.164 0.000 1.315 239 P CA -0.494 62.551 63.100 -0.091 0.000 0.746 239 P CB 0.376 32.076 31.700 -0.001 0.000 1.575 240 F N -0.980 118.797 119.950 -0.287 0.000 2.553 240 F HA 0.135 4.662 4.527 0.000 0.000 0.356 240 F C 1.009 176.663 175.800 -0.243 0.000 1.142 240 F CA 0.413 58.147 58.000 -0.444 0.000 1.322 240 F CB -0.024 38.345 39.000 -1.052 0.000 1.126 240 F HN 0.013 nan 8.300 nan 0.000 0.599 241 L N 2.295 123.584 121.223 0.111 0.000 2.362 241 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 241 L C 0.312 177.381 176.870 0.331 0.000 0.998 241 L CA -0.186 54.780 54.840 0.209 0.000 0.820 241 L CB 1.848 43.919 42.059 0.019 0.000 1.270 241 L HN 0.593 nan 8.230 nan 0.000 0.415 242 G N 3.340 112.321 108.800 0.303 0.000 3.455 242 G HA2 0.481 4.441 3.960 -0.000 0.000 0.250 242 G HA3 0.481 4.441 3.960 -0.000 0.000 0.250 242 G C 0.522 175.455 174.900 0.055 0.000 1.071 242 G CA 0.372 45.558 45.100 0.143 0.000 1.812 242 G HN 1.240 nan 8.290 nan 0.000 0.643 243 G N -0.901 107.871 108.800 -0.046 0.000 2.828 243 G HA2 0.342 4.302 3.960 -0.000 0.000 0.463 243 G HA3 0.342 4.302 3.960 -0.000 0.000 0.463 243 G C 0.663 175.324 174.900 -0.398 0.000 1.394 243 G CA -0.010 44.903 45.100 -0.312 0.000 0.862 243 G HN 1.501 nan 8.290 nan 0.000 0.540 244 G N -3.098 105.282 108.800 -0.701 0.000 3.990 244 G HA2 0.490 4.450 3.960 -0.000 0.000 0.204 244 G HA3 0.490 4.450 3.960 -0.000 0.000 0.204 244 G C 0.696 175.527 174.900 -0.115 0.000 1.420 244 G CA 0.787 45.675 45.100 -0.354 0.000 0.942 244 G HN 1.912 nan 8.290 nan 0.000 0.606 245 F N 0.705 120.685 119.950 0.050 0.000 3.069 245 F HA -0.120 4.407 4.527 -0.000 0.000 0.285 245 F C 1.946 177.810 175.800 0.108 0.000 0.827 245 F CA 1.573 59.630 58.000 0.094 0.000 1.108 245 F CB -1.606 37.503 39.000 0.183 0.000 1.252 245 F HN 1.522 nan 8.300 nan 0.000 0.483 246 G N -1.781 107.050 108.800 0.051 0.000 2.278 246 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.210 246 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.210 246 G C 1.117 175.925 174.900 -0.154 0.000 1.000 246 G CA 0.441 45.536 45.100 -0.008 0.000 0.635 246 G HN 1.310 nan 8.290 nan 0.000 0.495 247 A N 0.403 122.884 122.820 -0.566 0.000 1.978 247 A HA 0.108 4.428 4.320 -0.000 0.000 0.220 247 A C 1.971 179.460 177.584 -0.157 0.000 1.170 247 A CA 2.042 53.677 52.037 -0.671 0.000 0.636 247 A CB -0.269 18.352 19.000 -0.632 0.000 0.810 247 A HN 0.512 nan 8.150 nan 0.000 0.448 248 R N -0.340 120.085 120.500 -0.126 0.000 2.694 248 R HA 0.129 4.469 4.340 -0.000 0.000 0.334 248 R C 0.621 176.932 176.300 0.018 0.000 1.143 248 R CA 0.629 56.699 56.100 -0.050 0.000 1.073 248 R CB 0.021 30.247 30.300 -0.124 0.000 1.366 248 R HN 0.544 nan 8.270 nan 0.000 0.577 249 T N -2.240 112.368 114.554 0.091 0.000 3.163 249 T HA 0.083 4.433 4.350 -0.000 0.000 0.252 249 T C 0.196 175.122 174.700 0.378 0.000 1.056 249 T CA -0.363 61.863 62.100 0.210 0.000 0.947 249 T CB -0.179 68.817 68.868 0.214 0.000 1.016 249 T HN 0.347 nan 8.240 nan 0.000 0.554 250 E N 0.253 120.615 120.200 0.270 0.000 2.367 250 E HA 0.682 5.032 4.350 -0.000 0.000 0.273 250 E C -1.023 175.635 176.600 0.097 0.000 0.903 250 E CA -1.593 54.936 56.400 0.214 0.000 0.764 250 E CB 1.670 31.454 29.700 0.141 0.000 1.252 250 E HN 0.089 nan 8.360 nan 0.000 0.446 251 A N 3.039 125.882 122.820 0.039 0.000 2.488 251 A HA 0.356 4.676 4.320 -0.000 0.000 0.249 251 A C -0.267 177.183 177.584 -0.224 0.000 1.083 251 A CA -0.161 51.796 52.037 -0.133 0.000 0.768 251 A CB -0.081 18.801 19.000 -0.196 0.000 1.017 251 A HN 0.545 nan 8.150 nan 0.000 0.496 252 L N 2.894 123.872 121.223 -0.408 0.000 2.334 252 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 252 L C 1.950 178.424 176.870 -0.661 0.000 1.020 252 L CA -0.981 53.581 54.840 -0.464 0.000 0.812 252 L CB 1.190 42.842 42.059 -0.677 0.000 1.264 252 L HN 1.016 nan 8.230 nan 0.000 0.439 253 H N 1.582 120.518 119.070 -0.223 0.000 2.357 253 H HA -0.260 4.296 4.556 -0.000 0.000 0.296 253 H C 1.797 177.036 175.328 -0.149 0.000 1.108 253 H CA 2.461 58.438 56.048 -0.119 0.000 1.273 253 H CB -0.807 29.085 29.762 0.217 0.000 1.367 253 H HN 0.714 nan 8.280 nan 0.000 0.498 254 F N 1.794 121.527 119.950 -0.362 0.000 2.293 254 F HA 0.036 4.563 4.527 0.000 0.000 0.300 254 F C 2.097 177.837 175.800 -0.100 0.000 1.086 254 F CA 0.757 58.670 58.000 -0.144 0.000 1.375 254 F CB -0.431 38.469 39.000 -0.167 0.000 1.045 254 F HN 0.084 nan 8.300 nan 0.000 0.516 255 E N 1.465 121.277 120.200 -0.646 0.000 2.047 255 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 255 E C 2.315 178.787 176.600 -0.213 0.000 0.987 255 E CA 1.666 57.858 56.400 -0.346 0.000 0.799 255 E CB -0.337 29.069 29.700 -0.489 0.000 0.752 255 E HN 0.519 nan 8.360 nan 0.000 0.449 256 I N 1.055 121.454 120.570 -0.286 0.000 2.252 256 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 256 I C 2.382 178.447 176.117 -0.086 0.000 1.102 256 I CA 0.978 62.155 61.300 -0.205 0.000 1.385 256 I CB -0.196 37.618 38.000 -0.310 0.000 1.064 256 I HN 0.068 nan 8.210 nan 0.000 0.414 257 I N 0.855 121.407 120.570 -0.030 0.000 2.286 257 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 257 I C 2.798 178.935 176.117 0.032 0.000 1.115 257 I CA 1.289 62.611 61.300 0.038 0.000 1.392 257 I CB -0.458 37.611 38.000 0.115 0.000 1.065 257 I HN 0.180 nan 8.210 nan 0.000 0.418 258 A N 0.904 123.748 122.820 0.040 0.000 1.908 258 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 258 A C 2.447 180.039 177.584 0.012 0.000 1.181 258 A CA 1.975 54.038 52.037 0.044 0.000 0.627 258 A CB -1.446 17.595 19.000 0.068 0.000 0.818 258 A HN 0.461 nan 8.150 nan 0.000 0.445 259 G N -0.280 108.512 108.800 -0.013 0.000 2.418 259 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 259 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 259 G C 1.519 176.387 174.900 -0.054 0.000 1.158 259 G CA 1.160 46.245 45.100 -0.025 0.000 0.771 259 G HN 0.506 nan 8.290 nan 0.000 0.545 260 L N 0.344 121.538 121.223 -0.049 0.000 2.017 260 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 260 L C 2.727 179.556 176.870 -0.068 0.000 1.073 260 L CA 1.453 56.257 54.840 -0.060 0.000 0.745 260 L CB -0.335 41.710 42.059 -0.023 0.000 0.894 260 L HN 0.207 nan 8.230 nan 0.000 0.432 261 L N -0.747 120.458 121.223 -0.030 0.000 2.056 261 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 261 L C 2.696 179.546 176.870 -0.033 0.000 1.078 261 L CA 1.105 55.934 54.840 -0.020 0.000 0.749 261 L CB -0.910 41.156 42.059 0.012 0.000 0.901 261 L HN 0.387 nan 8.230 nan 0.000 0.433 262 A N 0.113 122.918 122.820 -0.024 0.000 1.902 262 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 262 A C 2.430 179.963 177.584 -0.086 0.000 1.181 262 A CA 1.873 53.915 52.037 0.008 0.000 0.623 262 A CB -0.560 18.483 19.000 0.071 0.000 0.818 262 A HN 0.363 nan 8.150 nan 0.000 0.443 263 R N -0.532 119.776 120.500 -0.319 0.000 2.075 263 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 263 R C 2.153 178.214 176.300 -0.398 0.000 1.126 263 R CA 1.821 57.431 56.100 -0.817 0.000 0.963 263 R CB -0.183 29.635 30.300 -0.803 0.000 0.858 263 R HN 0.348 nan 8.270 nan 0.000 0.435 264 K N 0.318 120.596 120.400 -0.203 0.000 2.097 264 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 264 K C 1.597 178.166 176.600 -0.052 0.000 1.050 264 K CA 1.660 57.884 56.287 -0.106 0.000 0.938 264 K CB -0.186 32.276 32.500 -0.064 0.000 0.718 264 K HN 0.272 nan 8.250 nan 0.000 0.442 265 A N 0.423 123.224 122.820 -0.031 0.000 2.167 265 A HA 0.052 4.372 4.320 -0.000 0.000 0.214 265 A C 0.015 177.628 177.584 0.049 0.000 1.151 265 A CA 0.721 52.766 52.037 0.012 0.000 0.735 265 A CB -0.365 18.649 19.000 0.022 0.000 0.802 265 A HN 0.413 nan 8.150 nan 0.000 0.467 266 K N -1.410 119.035 120.400 0.075 0.000 3.096 266 K HA -0.190 4.130 4.320 -0.000 0.000 0.266 266 K C 0.533 177.255 176.600 0.204 0.000 1.043 266 K CA 0.329 56.747 56.287 0.218 0.000 0.758 266 K CB -2.000 30.594 32.500 0.156 0.000 1.260 266 K HN 0.822 nan 8.250 nan 0.000 0.481 267 G N -0.922 107.991 108.800 0.188 0.000 2.793 267 G HA2 0.475 4.435 3.960 -0.000 0.000 0.248 267 G HA3 0.475 4.435 3.960 -0.000 0.000 0.248 267 G C -1.243 173.728 174.900 0.118 0.000 1.198 267 G CA -0.378 44.796 45.100 0.124 0.000 0.865 267 G HN -0.016 nan 8.290 nan 0.000 0.534 268 T N 0.214 114.813 114.554 0.074 0.000 2.829 268 T HA 0.635 4.985 4.350 -0.000 0.000 0.280 268 T C -0.939 173.792 174.700 0.051 0.000 0.999 268 T CA -0.222 61.915 62.100 0.062 0.000 0.983 268 T CB 1.776 70.670 68.868 0.044 0.000 0.968 268 T HN 0.452 nan 8.240 nan 0.000 0.446 269 V N 3.443 123.387 119.914 0.050 0.000 2.588 269 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 269 V C -0.119 176.001 176.094 0.043 0.000 1.042 269 V CA -0.987 61.339 62.300 0.043 0.000 0.877 269 V CB 1.960 33.808 31.823 0.041 0.000 0.996 269 V HN 0.726 nan 8.190 nan 0.000 0.425 270 R N 4.177 124.700 120.500 0.039 0.000 2.265 270 R HA 0.599 4.939 4.340 -0.000 0.000 0.328 270 R C -1.539 174.784 176.300 0.039 0.000 0.969 270 R CA -0.692 55.431 56.100 0.039 0.000 0.832 270 R CB 1.167 31.486 30.300 0.032 0.000 1.139 270 R HN 0.539 nan 8.270 nan 0.000 0.457 271 L N 6.958 128.210 121.223 0.049 0.000 2.301 271 L HA 0.402 4.742 4.340 -0.000 0.000 0.278 271 L C -1.326 175.550 176.870 0.010 0.000 1.022 271 L CA -0.385 54.484 54.840 0.048 0.000 0.854 271 L CB 1.120 43.232 42.059 0.090 0.000 1.226 271 L HN 0.616 nan 8.230 nan 0.000 0.429 272 L N 4.041 125.257 121.223 -0.012 0.000 2.360 272 L HA 0.559 4.899 4.340 -0.000 0.000 0.271 272 L C -0.089 176.731 176.870 -0.084 0.000 1.057 272 L CA -0.750 54.059 54.840 -0.051 0.000 0.803 272 L CB 1.461 43.506 42.059 -0.023 0.000 1.207 272 L HN 0.506 nan 8.230 nan 0.000 0.445 273 Q N 0.794 120.509 119.800 -0.142 0.000 2.377 273 Q HA 0.390 4.730 4.340 -0.000 0.000 0.271 273 Q C -0.269 175.688 176.000 -0.073 0.000 1.077 273 Q CA -0.547 55.174 55.803 -0.137 0.000 0.820 273 Q CB 2.450 31.011 28.738 -0.294 0.000 1.347 273 Q HN 0.780 nan 8.270 nan 0.000 0.444 274 T N -1.589 112.951 114.554 -0.024 0.000 2.788 274 T HA 0.238 4.588 4.350 -0.000 0.000 0.280 274 T C 1.070 175.775 174.700 0.008 0.000 0.984 274 T CA -0.460 61.641 62.100 0.003 0.000 0.972 274 T CB 1.017 69.903 68.868 0.030 0.000 1.039 274 T HN 0.547 nan 8.240 nan 0.000 0.530 275 R N 0.391 120.910 120.500 0.031 0.000 2.092 275 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 275 R C 2.302 178.699 176.300 0.161 0.000 1.119 275 R CA 2.103 58.227 56.100 0.040 0.000 0.970 275 R CB -1.084 29.264 30.300 0.079 0.000 0.864 275 R HN 0.928 nan 8.270 nan 0.000 0.440 276 E N 0.437 120.745 120.200 0.181 0.000 2.058 276 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 276 E C 1.505 178.229 176.600 0.206 0.000 0.997 276 E CA 1.671 58.199 56.400 0.214 0.000 0.801 276 E CB -0.067 29.696 29.700 0.104 0.000 0.746 276 E HN 0.553 nan 8.360 nan 0.000 0.450 277 E N -0.525 119.757 120.200 0.137 0.000 2.150 277 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 277 E C 2.026 178.716 176.600 0.151 0.000 0.985 277 E CA 1.400 57.890 56.400 0.149 0.000 0.814 277 E CB 0.053 29.808 29.700 0.092 0.000 0.752 277 E HN 0.279 nan 8.360 nan 0.000 0.466 278 T N 0.462 115.053 114.554 0.062 0.000 2.821 278 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 278 T C 1.438 176.165 174.700 0.046 0.000 1.046 278 T CA 0.838 62.938 62.100 -0.001 0.000 1.139 278 T CB -0.270 68.518 68.868 -0.133 0.000 0.871 278 T HN 0.134 nan 8.240 nan 0.000 0.454 279 F N 0.829 120.826 119.950 0.078 0.000 2.171 279 F HA 0.060 4.587 4.527 -0.000 0.000 0.300 279 F C 2.100 178.018 175.800 0.196 0.000 1.090 279 F CA 0.717 58.779 58.000 0.103 0.000 1.293 279 F CB -0.394 38.608 39.000 0.002 0.000 1.013 279 F HN 0.115 nan 8.300 nan 0.000 0.486 280 I N -0.456 120.346 120.570 0.388 0.000 2.315 280 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 280 I C 2.616 179.001 176.117 0.447 0.000 1.117 280 I CA 0.962 62.500 61.300 0.396 0.000 1.404 280 I CB -0.646 37.579 38.000 0.375 0.000 1.071 280 I HN 0.094 nan 8.210 nan 0.000 0.419 281 A N -0.289 122.802 122.820 0.451 0.000 1.908 281 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 281 A C 1.495 179.354 177.584 0.458 0.000 1.181 281 A CA 2.189 54.530 52.037 0.507 0.000 0.627 281 A CB -0.560 18.700 19.000 0.433 0.000 0.818 281 A HN 0.655 nan 8.150 nan 0.000 0.445 282 H N -1.989 117.264 119.070 0.305 0.000 1.452 282 H HA -0.325 4.231 4.556 -0.000 0.000 0.090 282 H C 0.493 176.041 175.328 0.368 0.000 0.670 282 H CA 3.023 59.259 56.048 0.313 0.000 1.901 282 H CB -0.588 29.344 29.762 0.284 0.000 2.257 282 H HN 0.577 nan 8.280 nan 0.000 0.961 283 R N -1.012 119.461 120.500 -0.045 0.000 3.776 283 R HA -0.079 4.261 4.340 -0.000 0.000 0.312 283 R C 0.723 176.973 176.300 -0.083 0.000 1.181 283 R CA 1.349 57.448 56.100 -0.002 0.000 0.836 283 R CB -2.701 27.705 30.300 0.176 0.000 1.324 283 R HN 0.825 nan 8.270 nan 0.000 0.501 284 G N 0.029 108.334 108.800 -0.826 0.000 2.510 284 G HA2 0.416 4.376 3.960 -0.000 0.000 0.280 284 G HA3 0.416 4.376 3.960 -0.000 0.000 0.280 284 G C -0.321 174.426 174.900 -0.255 0.000 1.386 284 G CA -0.703 44.025 45.100 -0.620 0.000 1.047 284 G HN 0.174 nan 8.290 nan 0.000 0.527 285 R N 1.140 121.564 120.500 -0.127 0.000 2.347 285 R HA 0.208 4.548 4.340 -0.000 0.000 0.304 285 R C -2.083 174.300 176.300 0.138 0.000 1.072 285 R CA -1.217 54.884 56.100 0.002 0.000 0.980 285 R CB 0.742 31.025 30.300 -0.029 0.000 0.986 285 R HN 0.268 nan 8.270 nan 0.000 0.448 286 P HA -0.100 nan 4.420 nan 0.000 0.271 286 P C -0.827 176.649 177.300 0.294 0.000 1.218 286 P CA -0.377 62.883 63.100 0.267 0.000 0.780 286 P CB 0.495 32.340 31.700 0.241 0.000 0.901 287 W N 3.691 125.110 121.300 0.198 0.000 2.257 287 W HA 0.143 4.802 4.660 -0.000 0.000 0.337 287 W C -0.879 175.765 176.519 0.209 0.000 1.321 287 W CA 1.258 58.729 57.345 0.209 0.000 1.267 287 W CB 0.172 29.748 29.460 0.193 0.000 1.187 287 W HN 0.257 nan 8.180 nan 0.000 0.565 288 T N 6.183 120.445 114.554 -0.487 0.000 2.952 288 T HA 0.172 4.522 4.350 -0.000 0.000 0.305 288 T C -1.380 172.925 174.700 -0.658 0.000 1.064 288 T CA -0.802 61.064 62.100 -0.390 0.000 1.008 288 T CB 1.617 70.417 68.868 -0.113 0.000 1.078 288 T HN 0.485 nan 8.240 nan 0.000 0.459 289 E N 2.341 122.238 120.200 -0.504 0.000 2.158 289 E HA 0.599 4.948 4.350 -0.000 0.000 0.271 289 E C -1.412 175.239 176.600 0.084 0.000 0.911 289 E CA -0.701 55.562 56.400 -0.229 0.000 0.767 289 E CB 1.009 30.645 29.700 -0.105 0.000 1.120 289 E HN 0.327 nan 8.360 nan 0.000 0.405 290 V N 5.170 125.214 119.914 0.218 0.000 2.444 290 V HA 0.311 4.431 4.120 -0.000 0.000 0.294 290 V C -0.307 175.962 176.094 0.292 0.000 1.022 290 V CA -0.830 61.636 62.300 0.278 0.000 0.850 290 V CB 1.544 33.576 31.823 0.348 0.000 0.992 290 V HN 0.624 nan 8.190 nan 0.000 0.426 291 K N 4.513 125.060 120.400 0.245 0.000 2.213 291 K HA 0.694 5.014 4.320 -0.000 0.000 0.270 291 K C -0.819 175.921 176.600 0.232 0.000 1.002 291 K CA -0.674 55.737 56.287 0.207 0.000 0.868 291 K CB 1.237 33.836 32.500 0.164 0.000 1.093 291 K HN 0.611 nan 8.250 nan 0.000 0.454 292 M N 4.478 124.223 119.600 0.242 0.000 2.311 292 M HA 0.338 4.818 4.480 -0.000 0.000 0.325 292 M C -1.630 174.771 176.300 0.168 0.000 1.061 292 M CA -0.267 55.173 55.300 0.232 0.000 0.957 292 M CB 1.378 34.151 32.600 0.289 0.000 1.646 292 M HN 0.506 nan 8.290 nan 0.000 0.434 293 K N 5.782 126.287 120.400 0.174 0.000 2.541 293 K HA 0.659 4.978 4.320 -0.000 0.000 0.250 293 K C -2.016 174.744 176.600 0.266 0.000 0.950 293 K CA -0.365 56.017 56.287 0.160 0.000 0.805 293 K CB 1.161 33.715 32.500 0.090 0.000 1.166 293 K HN 0.854 nan 8.250 nan 0.000 0.430 294 I N 2.576 123.263 120.570 0.195 0.000 2.545 294 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 294 I C 0.065 176.312 176.117 0.217 0.000 1.040 294 I CA -1.091 60.301 61.300 0.154 0.000 1.068 294 I CB 2.312 40.254 38.000 -0.096 0.000 1.251 294 I HN 0.755 nan 8.210 nan 0.000 0.424 295 G N 6.551 115.445 108.800 0.156 0.000 2.416 295 G HA2 0.761 4.721 3.960 -0.000 0.000 0.324 295 G HA3 0.761 4.721 3.960 -0.000 0.000 0.324 295 G C -1.044 173.844 174.900 -0.019 0.000 1.194 295 G CA -0.374 44.797 45.100 0.118 0.000 0.922 295 G HN 0.391 nan 8.290 nan 0.000 0.467 296 L N 1.448 122.672 121.223 0.001 0.000 2.333 296 L HA 0.582 4.922 4.340 -0.000 0.000 0.263 296 L C -0.118 176.748 176.870 -0.005 0.000 1.014 296 L CA -1.343 53.484 54.840 -0.023 0.000 0.820 296 L CB 2.387 44.427 42.059 -0.033 0.000 1.352 296 L HN 0.255 nan 8.230 nan 0.000 0.421 297 K N 0.918 121.313 120.400 -0.008 0.000 2.090 297 K HA 0.177 4.497 4.320 -0.000 0.000 0.250 297 K C 0.729 177.330 176.600 0.002 0.000 1.004 297 K CA -0.480 55.809 56.287 0.002 0.000 0.919 297 K CB 1.294 33.796 32.500 0.004 0.000 1.045 297 K HN 0.543 nan 8.250 nan 0.000 0.471 298 K N 0.136 120.540 120.400 0.007 0.000 2.280 298 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 298 K C 0.577 177.180 176.600 0.005 0.000 1.047 298 K CA 1.792 58.083 56.287 0.007 0.000 0.942 298 K CB 0.006 32.512 32.500 0.009 0.000 0.739 298 K HN 0.467 nan 8.250 nan 0.000 0.457 299 D N -0.226 120.176 120.400 0.005 0.000 2.349 299 D HA 0.050 4.690 4.640 -0.000 0.000 0.224 299 D C 1.193 177.494 176.300 0.001 0.000 1.029 299 D CA 0.683 54.686 54.000 0.005 0.000 0.879 299 D CB 0.355 41.159 40.800 0.007 0.000 0.906 299 D HN 0.454 nan 8.370 nan 0.000 0.528 300 G N -0.085 108.712 108.800 -0.005 0.000 2.213 300 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.236 300 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.236 300 G C 0.237 175.123 174.900 -0.024 0.000 0.991 300 G CA -0.164 44.926 45.100 -0.017 0.000 0.629 300 G HN 0.301 nan 8.290 nan 0.000 0.517 301 K N 0.817 121.212 120.400 -0.008 0.000 2.401 301 K HA 0.345 4.665 4.320 -0.000 0.000 0.278 301 K C 0.946 177.536 176.600 -0.017 0.000 1.018 301 K CA -0.213 56.074 56.287 0.000 0.000 0.981 301 K CB 0.819 33.332 32.500 0.021 0.000 0.933 301 K HN 0.407 nan 8.250 nan 0.000 0.477 302 I N 2.193 122.749 120.570 -0.023 0.000 2.556 302 I HA -0.096 4.074 4.170 -0.000 0.000 0.284 302 I C 1.309 177.393 176.117 -0.056 0.000 1.114 302 I CA 0.254 61.526 61.300 -0.048 0.000 1.418 302 I CB 1.163 39.140 38.000 -0.039 0.000 1.394 302 I HN 0.688 nan 8.210 nan 0.000 0.552 303 A N 5.240 128.001 122.820 -0.098 0.000 1.993 303 A HA 0.732 5.052 4.320 -0.000 0.000 0.207 303 A C 0.765 178.196 177.584 -0.255 0.000 1.224 303 A CA 0.789 52.747 52.037 -0.131 0.000 0.749 303 A CB 0.258 19.192 19.000 -0.110 0.000 0.884 303 A HN 0.789 nan 8.150 nan 0.000 0.467 304 A N -1.505 121.090 122.820 -0.376 0.000 2.586 304 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 304 A C -1.969 175.360 177.584 -0.426 0.000 1.062 304 A CA -0.317 51.366 52.037 -0.590 0.000 0.666 304 A CB 0.606 18.805 19.000 -1.335 0.000 1.281 304 A HN 1.233 nan 8.150 nan 0.000 0.421 305 L N 0.297 121.398 121.223 -0.202 0.000 2.455 305 L HA 0.940 5.280 4.340 -0.000 0.000 0.264 305 L C -0.540 176.509 176.870 0.298 0.000 0.968 305 L CA 0.118 55.039 54.840 0.135 0.000 0.827 305 L CB 1.868 44.026 42.059 0.166 0.000 1.317 305 L HN 1.816 nan 8.230 nan 0.000 0.407 306 A N 5.749 128.827 122.820 0.431 0.000 2.381 306 A HA 0.814 5.134 4.320 -0.000 0.000 0.299 306 A C -1.524 176.228 177.584 0.279 0.000 1.049 306 A CA -0.454 51.799 52.037 0.361 0.000 0.715 306 A CB 1.190 20.409 19.000 0.365 0.000 1.222 306 A HN 1.193 nan 8.150 nan 0.000 0.428 307 L N -0.875 120.507 121.223 0.265 0.000 2.376 307 L HA 0.961 5.301 4.340 -0.000 0.000 0.258 307 L C -0.817 176.210 176.870 0.262 0.000 1.013 307 L CA -0.701 54.294 54.840 0.258 0.000 0.822 307 L CB 2.239 44.450 42.059 0.253 0.000 1.388 307 L HN 0.602 nan 8.230 nan 0.000 0.413 308 E N 1.250 121.607 120.200 0.262 0.000 2.248 308 E HA 0.773 5.123 4.350 -0.000 0.000 0.267 308 E C -1.246 175.533 176.600 0.299 0.000 0.877 308 E CA -1.033 55.546 56.400 0.298 0.000 0.759 308 E CB 2.486 32.432 29.700 0.410 0.000 1.182 308 E HN 0.857 nan 8.360 nan 0.000 0.418 309 A N 2.145 125.132 122.820 0.278 0.000 2.359 309 A HA 0.632 4.952 4.320 -0.000 0.000 0.303 309 A C -0.766 177.019 177.584 0.336 0.000 1.066 309 A CA -0.617 51.570 52.037 0.250 0.000 0.730 309 A CB 1.658 20.767 19.000 0.182 0.000 1.211 309 A HN 0.442 nan 8.150 nan 0.000 0.439 310 T N 2.781 117.525 114.554 0.317 0.000 2.812 310 T HA 0.516 4.866 4.350 -0.000 0.000 0.282 310 T C -0.538 174.342 174.700 0.299 0.000 0.990 310 T CA -0.212 62.112 62.100 0.374 0.000 0.960 310 T CB 1.103 70.186 68.868 0.359 0.000 0.948 310 T HN 0.678 nan 8.240 nan 0.000 0.438 311 Q N 1.457 121.436 119.800 0.299 0.000 2.333 311 Q HA 0.670 5.010 4.340 -0.000 0.000 0.267 311 Q C -0.732 175.471 176.000 0.338 0.000 1.012 311 Q CA -0.948 55.034 55.803 0.298 0.000 0.824 311 Q CB 2.278 31.139 28.738 0.205 0.000 1.290 311 Q HN 0.775 nan 8.270 nan 0.000 0.449 312 A N 1.513 124.600 122.820 0.445 0.000 2.343 312 A HA 0.492 4.812 4.320 -0.000 0.000 0.305 312 A C 0.912 178.648 177.584 0.254 0.000 1.308 312 A CA -0.164 52.062 52.037 0.315 0.000 0.949 312 A CB -0.015 19.164 19.000 0.299 0.000 1.148 312 A HN 0.935 nan 8.150 nan 0.000 0.545 313 G N 1.601 110.512 108.800 0.186 0.000 3.088 313 G HA2 0.493 4.453 3.960 -0.000 0.000 0.217 313 G HA3 0.493 4.453 3.960 -0.000 0.000 0.217 313 G C 0.907 175.921 174.900 0.190 0.000 1.159 313 G CA 0.675 45.880 45.100 0.174 0.000 0.760 313 G HN 2.012 nan 8.290 nan 0.000 0.550 314 G N -0.915 107.986 108.800 0.167 0.000 2.725 314 G HA2 0.212 4.172 3.960 -0.000 0.000 0.220 314 G HA3 0.212 4.172 3.960 -0.000 0.000 0.220 314 G C 0.943 175.949 174.900 0.176 0.000 1.357 314 G CA -0.041 45.132 45.100 0.122 0.000 0.866 314 G HN 1.099 nan 8.290 nan 0.000 0.548 315 A N -1.196 121.666 122.820 0.069 0.000 2.178 315 A HA 0.597 4.917 4.320 -0.000 0.000 0.211 315 A C 0.646 178.049 177.584 -0.303 0.000 1.157 315 A CA 1.505 53.490 52.037 -0.087 0.000 0.780 315 A CB 0.029 18.974 19.000 -0.092 0.000 0.828 315 A HN 0.984 nan 8.150 nan 0.000 0.476 316 Y N -3.520 116.934 120.300 0.255 0.000 2.576 316 Y HA 0.540 5.090 4.550 -0.000 0.000 0.346 316 Y C 1.311 177.363 175.900 0.255 0.000 1.018 316 Y CA -0.485 57.733 58.100 0.196 0.000 1.050 316 Y CB 1.586 40.083 38.460 0.060 0.000 1.280 316 Y HN 0.003 nan 8.280 nan 0.000 0.474 317 A N 1.587 124.578 122.820 0.284 0.000 1.845 317 A HA 0.229 4.549 4.320 -0.000 0.000 0.215 317 A C 1.850 179.499 177.584 0.108 0.000 1.195 317 A CA 1.872 54.014 52.037 0.175 0.000 0.616 317 A CB -1.449 17.579 19.000 0.046 0.000 0.832 317 A HN 1.451 nan 8.150 nan 0.000 0.443 318 G N -1.555 107.275 108.800 0.049 0.000 2.634 318 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.309 318 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.309 318 G C 0.659 175.544 174.900 -0.026 0.000 1.265 318 G CA 1.036 46.142 45.100 0.012 0.000 0.998 318 G HN 0.672 nan 8.290 nan 0.000 0.551 319 Y N 2.713 123.066 120.300 0.089 0.000 2.529 319 Y HA 0.217 4.766 4.550 -0.000 0.000 0.290 319 Y C 2.868 178.861 175.900 0.154 0.000 1.177 319 Y CA 1.050 59.230 58.100 0.134 0.000 1.305 319 Y CB -0.205 38.366 38.460 0.184 0.000 1.047 319 Y HN 0.649 nan 8.280 nan 0.000 0.522 320 G N 1.023 109.962 108.800 0.232 0.000 2.606 320 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.221 320 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.221 320 G C 1.631 176.596 174.900 0.108 0.000 1.152 320 G CA 1.689 46.880 45.100 0.152 0.000 0.765 320 G HN 0.464 nan 8.290 nan 0.000 0.595 321 I N 0.418 121.026 120.570 0.063 0.000 2.226 321 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 321 I C 2.690 178.835 176.117 0.046 0.000 1.100 321 I CA 0.806 62.121 61.300 0.025 0.000 1.374 321 I CB -0.161 37.835 38.000 -0.006 0.000 1.057 321 I HN 0.194 nan 8.210 nan 0.000 0.413 322 I N 0.106 120.743 120.570 0.112 0.000 2.252 322 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 322 I C 2.493 178.639 176.117 0.050 0.000 1.102 322 I CA 1.472 62.819 61.300 0.079 0.000 1.385 322 I CB -0.554 37.610 38.000 0.274 0.000 1.064 322 I HN 0.245 nan 8.210 nan 0.000 0.414 323 T N 1.065 115.727 114.554 0.181 0.000 2.720 323 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 323 T C 1.904 176.674 174.700 0.117 0.000 1.037 323 T CA 1.351 63.539 62.100 0.147 0.000 1.144 323 T CB -0.282 68.788 68.868 0.337 0.000 0.864 323 T HN 0.175 nan 8.240 nan 0.000 0.444 324 I N 0.620 121.248 120.570 0.097 0.000 2.439 324 I HA 0.038 4.208 4.170 -0.000 0.000 0.251 324 I C 1.917 178.089 176.117 0.091 0.000 1.139 324 I CA 0.892 62.239 61.300 0.078 0.000 1.438 324 I CB -0.263 37.754 38.000 0.028 0.000 1.085 324 I HN 0.189 nan 8.210 nan 0.000 0.427 325 L N -1.317 119.935 121.223 0.049 0.000 2.093 325 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 325 L C 2.161 179.042 176.870 0.020 0.000 1.085 325 L CA 1.276 56.148 54.840 0.053 0.000 0.755 325 L CB -0.688 41.354 42.059 -0.029 0.000 0.904 325 L HN 0.233 nan 8.230 nan 0.000 0.435 326 Y N 0.227 120.485 120.300 -0.069 0.000 2.421 326 Y HA -0.244 4.306 4.550 -0.000 0.000 0.292 326 Y C 2.890 178.710 175.900 -0.133 0.000 1.136 326 Y CA 1.230 59.248 58.100 -0.136 0.000 1.255 326 Y CB -0.233 38.111 38.460 -0.194 0.000 0.991 326 Y HN 0.359 nan 8.280 nan 0.000 0.552 327 T N -3.863 110.744 114.554 0.089 0.000 2.881 327 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 327 T C 1.899 176.496 174.700 -0.171 0.000 1.068 327 T CA 1.290 63.406 62.100 0.026 0.000 1.131 327 T CB -0.446 68.507 68.868 0.141 0.000 0.871 327 T HN 0.370 nan 8.240 nan 0.000 0.479 328 G N -0.167 108.370 108.800 -0.439 0.000 2.781 328 G HA2 0.498 4.458 3.960 -0.000 0.000 0.208 328 G HA3 0.498 4.458 3.960 -0.000 0.000 0.208 328 G C 1.689 176.277 174.900 -0.520 0.000 1.099 328 G CA 0.398 44.952 45.100 -0.911 0.000 0.776 328 G HN 0.609 nan 8.290 nan 0.000 0.532 329 A N 0.667 123.209 122.820 -0.463 0.000 1.933 329 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 329 A C 1.758 179.065 177.584 -0.461 0.000 1.175 329 A CA 0.951 52.505 52.037 -0.804 0.000 0.628 329 A CB -0.213 18.440 19.000 -0.578 0.000 0.814 329 A HN 0.287 nan 8.150 nan 0.000 0.444 330 L N -0.327 120.757 121.223 -0.232 0.000 2.848 330 L HA 0.242 4.582 4.340 -0.000 0.000 0.240 330 L C 1.546 178.349 176.870 -0.111 0.000 1.232 330 L CA 0.214 54.962 54.840 -0.154 0.000 1.031 330 L CB 0.252 42.175 42.059 -0.227 0.000 1.338 330 L HN 0.264 nan 8.230 nan 0.000 0.509 331 M N -1.385 118.066 119.600 -0.249 0.000 2.558 331 M HA 0.094 4.574 4.480 -0.000 0.000 0.255 331 M C 0.511 176.526 176.300 -0.474 0.000 1.113 331 M CA 0.683 55.745 55.300 -0.395 0.000 1.097 331 M CB -0.553 31.776 32.600 -0.451 0.000 1.426 331 M HN 0.218 nan 8.290 nan 0.000 0.488 332 H N -1.059 117.832 119.070 -0.297 0.000 2.525 332 H HA 0.447 5.003 4.556 -0.000 0.000 0.340 332 H C 1.055 176.268 175.328 -0.191 0.000 1.168 332 H CA 0.429 56.330 56.048 -0.244 0.000 1.247 332 H CB 1.227 30.838 29.762 -0.252 0.000 1.568 332 H HN 0.337 nan 8.280 nan 0.000 0.536 333 G N 0.663 109.419 108.800 -0.073 0.000 2.175 333 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 333 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 333 G C 0.462 175.147 174.900 -0.359 0.000 0.982 333 G CA 0.677 45.632 45.100 -0.240 0.000 0.641 333 G HN 0.501 nan 8.290 nan 0.000 0.527 334 L N -1.337 119.573 121.223 -0.522 0.000 2.614 334 L HA 0.651 4.991 4.340 -0.000 0.000 0.185 334 L C 0.594 177.072 176.870 -0.653 0.000 1.098 334 L CA 0.392 54.807 54.840 -0.709 0.000 0.852 334 L CB 0.150 41.502 42.059 -1.178 0.000 1.213 334 L HN 0.169 nan 8.230 nan 0.000 0.491 335 Y N -0.832 119.297 120.300 -0.286 0.000 2.528 335 Y HA 0.462 5.012 4.550 -0.000 0.000 0.335 335 Y C -0.409 175.359 175.900 -0.220 0.000 1.093 335 Y CA -1.019 56.959 58.100 -0.202 0.000 1.134 335 Y CB 0.545 38.918 38.460 -0.144 0.000 1.253 335 Y HN 0.091 nan 8.280 nan 0.000 0.478 336 H N 2.455 121.495 119.070 -0.050 0.000 2.742 336 H HA 0.513 5.069 4.556 -0.000 0.000 0.302 336 H C -1.248 174.097 175.328 0.028 0.000 1.069 336 H CA -0.063 55.954 56.048 -0.051 0.000 1.446 336 H CB 0.006 29.740 29.762 -0.046 0.000 1.462 336 H HN 0.540 nan 8.280 nan 0.000 0.499 337 I N 7.967 128.225 120.570 -0.520 0.000 2.447 337 I HA 0.187 4.357 4.170 -0.000 0.000 0.287 337 I C -1.728 174.137 176.117 -0.420 0.000 1.023 337 I CA -2.197 58.889 61.300 -0.357 0.000 1.083 337 I CB 2.370 40.244 38.000 -0.209 0.000 1.245 337 I HN 0.595 nan 8.210 nan 0.000 0.434 338 P HA -0.060 nan 4.420 nan 0.000 0.217 338 P C -0.105 177.155 177.300 -0.066 0.000 1.150 338 P CA 0.801 63.809 63.100 -0.153 0.000 0.832 338 P CB 0.382 32.044 31.700 -0.064 0.000 0.787 339 A N -1.109 121.664 122.820 -0.079 0.000 2.547 339 A HA 0.684 5.004 4.320 -0.000 0.000 0.297 339 A C -1.374 176.216 177.584 0.010 0.000 1.056 339 A CA -0.435 51.605 52.037 0.004 0.000 0.688 339 A CB 0.954 19.948 19.000 -0.011 0.000 1.282 339 A HN -0.091 nan 8.150 nan 0.000 0.400 340 I N 1.293 121.952 120.570 0.148 0.000 2.569 340 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 340 I C -0.392 175.918 176.117 0.322 0.000 1.088 340 I CA -0.501 60.904 61.300 0.176 0.000 1.047 340 I CB 2.440 40.474 38.000 0.056 0.000 1.237 340 I HN 0.704 nan 8.210 nan 0.000 0.421 341 K N 5.774 126.346 120.400 0.287 0.000 2.323 341 K HA 0.440 4.760 4.320 -0.000 0.000 0.259 341 K C -1.363 175.431 176.600 0.322 0.000 0.947 341 K CA -0.552 55.905 56.287 0.285 0.000 0.819 341 K CB 1.403 34.055 32.500 0.254 0.000 1.109 341 K HN 0.704 nan 8.250 nan 0.000 0.429 342 H N 3.855 123.034 119.070 0.181 0.000 2.744 342 H HA 0.304 4.860 4.556 -0.000 0.000 0.339 342 H C -1.519 173.817 175.328 0.014 0.000 1.004 342 H CA -0.703 55.417 56.048 0.120 0.000 1.257 342 H CB 1.446 31.311 29.762 0.172 0.000 1.552 342 H HN 0.675 nan 8.280 nan 0.000 0.522 343 D N 3.301 123.513 120.400 -0.313 0.000 2.646 343 D HA 0.549 5.189 4.640 -0.000 0.000 0.245 343 D C -1.071 174.650 176.300 -0.964 0.000 1.099 343 D CA -0.366 53.257 54.000 -0.627 0.000 0.849 343 D CB 2.359 43.029 40.800 -0.216 0.000 1.448 343 D HN 0.701 nan 8.370 nan 0.000 0.489 344 A N 1.996 123.979 122.820 -1.395 0.000 2.594 344 A HA 0.711 5.031 4.320 -0.000 0.000 0.295 344 A C -1.889 175.099 177.584 -0.995 0.000 1.071 344 A CA -0.851 50.642 52.037 -0.906 0.000 0.685 344 A CB 1.995 20.710 19.000 -0.475 0.000 1.285 344 A HN 0.465 nan 8.150 nan 0.000 0.405 345 W N 1.028 122.291 121.300 -0.062 0.000 2.900 345 W HA 0.525 5.185 4.660 -0.000 0.000 0.336 345 W C -0.255 176.265 176.519 0.002 0.000 1.064 345 W CA -0.745 56.580 57.345 -0.034 0.000 1.237 345 W CB 2.124 31.593 29.460 0.015 0.000 1.391 345 W HN 0.816 nan 8.180 nan 0.000 0.468 346 R N 2.168 122.752 120.500 0.141 0.000 2.265 346 R HA 0.576 4.916 4.340 -0.000 0.000 0.328 346 R C -1.506 174.805 176.300 0.017 0.000 0.969 346 R CA -0.205 55.940 56.100 0.074 0.000 0.832 346 R CB 0.831 31.129 30.300 -0.003 0.000 1.139 346 R HN 0.211 nan 8.270 nan 0.000 0.457 347 V N 5.991 125.941 119.914 0.060 0.000 2.495 347 V HA 0.371 4.491 4.120 -0.000 0.000 0.298 347 V C -0.537 175.586 176.094 0.048 0.000 1.031 347 V CA -0.937 61.387 62.300 0.040 0.000 0.871 347 V CB 1.158 33.048 31.823 0.113 0.000 0.988 347 V HN 0.607 nan 8.190 nan 0.000 0.432 348 Y N 2.871 123.220 120.300 0.082 0.000 2.497 348 Y HA 0.458 5.008 4.550 -0.000 0.000 0.334 348 Y C 1.116 177.039 175.900 0.038 0.000 1.199 348 Y CA 0.105 58.242 58.100 0.060 0.000 1.425 348 Y CB 0.917 39.414 38.460 0.062 0.000 1.291 348 Y HN 0.824 nan 8.280 nan 0.000 0.562 349 T N -1.490 113.185 114.554 0.201 0.000 2.896 349 T HA 0.379 4.729 4.350 -0.000 0.000 0.297 349 T C -0.554 174.145 174.700 -0.001 0.000 1.108 349 T CA -1.359 60.794 62.100 0.089 0.000 1.004 349 T CB 1.017 69.908 68.868 0.038 0.000 1.159 349 T HN 0.467 nan 8.240 nan 0.000 0.499 350 N N 1.659 120.321 118.700 -0.063 0.000 3.254 350 N HA 0.362 5.102 4.740 -0.000 0.000 0.308 350 N C -0.167 175.292 175.510 -0.085 0.000 1.281 350 N CA -0.286 52.696 53.050 -0.114 0.000 1.212 350 N CB 0.163 38.532 38.487 -0.197 0.000 1.478 350 N HN 0.839 nan 8.380 nan 0.000 0.548 351 T N -3.588 110.901 114.554 -0.108 0.000 2.841 351 T HA 0.476 4.826 4.350 -0.000 0.000 0.296 351 T C -3.075 171.499 174.700 -0.210 0.000 1.166 351 T CA -2.500 59.442 62.100 -0.263 0.000 1.007 351 T CB 1.817 70.290 68.868 -0.657 0.000 1.253 351 T HN -0.259 nan 8.240 nan 0.000 0.511 352 P HA 0.216 nan 4.420 nan 0.000 0.264 352 P C -2.498 174.767 177.300 -0.058 0.000 1.183 352 P CA -0.552 62.312 63.100 -0.393 0.000 0.763 352 P CB -0.601 31.104 31.700 0.008 0.000 0.807 353 P HA -0.034 nan 4.420 nan 0.000 0.265 353 P C -0.161 177.282 177.300 0.239 0.000 1.193 353 P CA 0.346 63.530 63.100 0.141 0.000 0.765 353 P CB 0.250 32.060 31.700 0.183 0.000 0.823 354 C N 2.777 122.211 119.300 0.224 0.000 2.480 354 C HA 0.791 5.251 4.460 -0.000 0.000 0.358 354 C C 1.402 176.463 174.990 0.118 0.000 1.309 354 C CA 0.649 59.742 59.018 0.126 0.000 2.465 354 C CB 0.525 28.380 27.740 0.191 0.000 2.379 354 C HN 0.803 nan 8.230 nan 0.000 0.642 355 G N -0.462 108.372 108.800 0.057 0.000 2.726 355 G HA2 0.622 4.582 3.960 -0.000 0.000 0.198 355 G HA3 0.622 4.582 3.960 -0.000 0.000 0.198 355 G C -1.477 173.355 174.900 -0.113 0.000 1.195 355 G CA 0.268 45.436 45.100 0.114 0.000 0.951 355 G HN 1.053 nan 8.290 nan 0.000 0.532 356 A N -0.034 122.562 122.820 -0.372 0.000 2.301 356 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 356 A C -0.329 177.140 177.584 -0.192 0.000 1.185 356 A CA -0.104 51.438 52.037 -0.826 0.000 0.830 356 A CB 0.638 18.849 19.000 -1.315 0.000 1.112 356 A HN 0.895 nan 8.150 nan 0.000 0.508 357 M N 2.613 122.116 119.600 -0.161 0.000 2.386 357 M HA 0.429 4.909 4.480 -0.000 0.000 0.293 357 M C 0.000 176.251 176.300 -0.083 0.000 1.120 357 M CA -0.627 54.667 55.300 -0.010 0.000 0.909 357 M CB 1.656 34.138 32.600 -0.197 0.000 1.661 357 M HN 0.848 nan 8.290 nan 0.000 0.452 358 R N 2.754 123.243 120.500 -0.019 0.000 3.651 358 R HA -0.109 4.231 4.340 -0.000 0.000 0.201 358 R C 0.706 176.819 176.300 -0.311 0.000 0.627 358 R CA 2.307 58.330 56.100 -0.129 0.000 0.952 358 R CB -0.602 29.700 30.300 0.004 0.000 1.005 358 R HN 1.070 nan 8.270 nan 0.000 0.327 359 G N 2.714 111.119 108.800 -0.659 0.000 2.157 359 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.239 359 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.239 359 G C 0.069 174.654 174.900 -0.525 0.000 0.982 359 G CA 0.179 44.775 45.100 -0.839 0.000 0.650 359 G HN 1.018 nan 8.290 nan 0.000 0.527 360 H N -0.020 118.740 119.070 -0.516 0.000 2.850 360 H HA 0.007 4.563 4.556 -0.000 0.000 0.215 360 H C 1.842 176.998 175.328 -0.286 0.000 0.664 360 H CA 1.210 57.072 56.048 -0.310 0.000 1.499 360 H CB -0.469 29.140 29.762 -0.255 0.000 1.358 360 H HN 1.753 nan 8.280 nan 0.000 0.413 361 G N 3.148 111.963 108.800 0.025 0.000 2.189 361 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.267 361 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.267 361 G C 1.059 175.925 174.900 -0.058 0.000 0.975 361 G CA 1.182 46.272 45.100 -0.017 0.000 0.644 361 G HN 0.853 nan 8.290 nan 0.000 0.537 362 T N -2.848 111.645 114.554 -0.101 0.000 3.023 362 T HA 0.455 4.805 4.350 -0.000 0.000 0.253 362 T C 2.092 176.716 174.700 -0.127 0.000 1.038 362 T CA 1.210 63.263 62.100 -0.078 0.000 0.962 362 T CB 0.542 69.409 68.868 -0.000 0.000 1.018 362 T HN 0.331 nan 8.240 nan 0.000 0.521 363 V N 2.486 122.291 119.914 -0.182 0.000 2.270 363 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 363 V C 2.466 178.321 176.094 -0.399 0.000 1.043 363 V CA 2.090 64.247 62.300 -0.240 0.000 1.014 363 V CB -0.497 31.185 31.823 -0.235 0.000 0.645 363 V HN 0.429 nan 8.190 nan 0.000 0.447 364 D N 0.424 120.474 120.400 -0.584 0.000 2.117 364 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 364 D C 2.376 178.210 176.300 -0.776 0.000 0.982 364 D CA 1.986 55.264 54.000 -1.203 0.000 0.828 364 D CB -0.571 39.404 40.800 -1.375 0.000 0.967 364 D HN 0.615 nan 8.370 nan 0.000 0.464 365 T N -0.948 113.385 114.554 -0.369 0.000 2.904 365 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 365 T C 1.972 176.617 174.700 -0.091 0.000 1.059 365 T CA 0.879 62.888 62.100 -0.152 0.000 1.137 365 T CB 0.038 68.868 68.868 -0.064 0.000 0.879 365 T HN -0.080 nan 8.240 nan 0.000 0.467 366 R N 2.420 122.846 120.500 -0.124 0.000 2.075 366 R HA 0.251 4.591 4.340 -0.000 0.000 0.232 366 R C 2.542 178.823 176.300 -0.032 0.000 1.126 366 R CA 1.711 57.788 56.100 -0.039 0.000 0.963 366 R CB -1.309 28.969 30.300 -0.036 0.000 0.858 366 R HN 0.435 nan 8.270 nan 0.000 0.435 367 A N 0.484 123.212 122.820 -0.153 0.000 1.883 367 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 367 A C 2.425 179.897 177.584 -0.187 0.000 1.186 367 A CA 1.984 53.931 52.037 -0.150 0.000 0.624 367 A CB -1.196 17.670 19.000 -0.224 0.000 0.822 367 A HN 0.509 nan 8.150 nan 0.000 0.444 368 A N -1.311 121.393 122.820 -0.194 0.000 1.902 368 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 368 A C 2.091 179.492 177.584 -0.305 0.000 1.181 368 A CA 1.626 53.349 52.037 -0.523 0.000 0.623 368 A CB -0.745 18.162 19.000 -0.154 0.000 0.818 368 A HN 0.676 nan 8.150 nan 0.000 0.443 369 F N 0.869 120.720 119.950 -0.165 0.000 2.102 369 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 369 F C 2.374 178.122 175.800 -0.087 0.000 1.105 369 F CA 2.140 60.092 58.000 -0.079 0.000 1.239 369 F CB -0.024 38.956 39.000 -0.033 0.000 0.991 369 F HN 0.219 nan 8.300 nan 0.000 0.474 370 E N 0.563 120.853 120.200 0.151 0.000 2.077 370 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 370 E C 2.387 178.944 176.600 -0.073 0.000 0.989 370 E CA 1.172 57.623 56.400 0.085 0.000 0.800 370 E CB -0.820 28.947 29.700 0.111 0.000 0.746 370 E HN 0.519 nan 8.360 nan 0.000 0.452 371 A N 1.190 123.908 122.820 -0.169 0.000 1.898 371 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 371 A C 2.233 179.763 177.584 -0.090 0.000 1.181 371 A CA 1.105 53.030 52.037 -0.187 0.000 0.620 371 A CB -0.508 18.193 19.000 -0.499 0.000 0.819 371 A HN 0.226 nan 8.150 nan 0.000 0.442 372 L N -0.778 120.377 121.223 -0.114 0.000 2.109 372 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 372 L C 2.188 178.954 176.870 -0.173 0.000 1.086 372 L CA 1.711 56.518 54.840 -0.055 0.000 0.760 372 L CB -0.587 41.453 42.059 -0.031 0.000 0.910 372 L HN 0.354 nan 8.230 nan 0.000 0.437 373 L N -0.986 120.042 121.223 -0.325 0.000 2.042 373 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 373 L C 2.265 179.041 176.870 -0.158 0.000 1.076 373 L CA 2.421 57.060 54.840 -0.335 0.000 0.749 373 L CB -1.057 40.734 42.059 -0.448 0.000 0.893 373 L HN 0.295 nan 8.230 nan 0.000 0.432 374 T N -0.831 113.668 114.554 -0.092 0.000 2.777 374 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 374 T C 1.734 176.419 174.700 -0.026 0.000 1.040 374 T CA 1.524 63.613 62.100 -0.019 0.000 1.141 374 T CB -0.134 68.759 68.868 0.042 0.000 0.868 374 T HN 0.532 nan 8.240 nan 0.000 0.444 375 E N 0.559 120.731 120.200 -0.046 0.000 2.077 375 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 375 E C 2.157 178.721 176.600 -0.059 0.000 0.989 375 E CA 1.016 57.372 56.400 -0.073 0.000 0.800 375 E CB -0.139 29.529 29.700 -0.054 0.000 0.746 375 E HN 0.461 nan 8.360 nan 0.000 0.452 376 M N -0.119 119.444 119.600 -0.061 0.000 2.229 376 M HA -0.031 4.449 4.480 -0.000 0.000 0.264 376 M C 2.343 178.621 176.300 -0.037 0.000 1.063 376 M CA 1.332 56.602 55.300 -0.051 0.000 1.114 376 M CB -0.181 32.377 32.600 -0.070 0.000 1.387 376 M HN 0.266 nan 8.290 nan 0.000 0.420 377 G N 0.099 108.876 108.800 -0.039 0.000 2.418 377 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 377 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 377 G C 1.336 176.241 174.900 0.008 0.000 1.158 377 G CA 0.969 46.060 45.100 -0.015 0.000 0.771 377 G HN 0.545 nan 8.290 nan 0.000 0.545 378 E N 0.386 120.592 120.200 0.010 0.000 2.051 378 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 378 E C 2.257 178.870 176.600 0.021 0.000 0.991 378 E CA 1.360 57.777 56.400 0.029 0.000 0.799 378 E CB -0.236 29.478 29.700 0.023 0.000 0.748 378 E HN 0.622 nan 8.360 nan 0.000 0.449 379 E N 0.141 120.343 120.200 0.003 0.000 2.153 379 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 379 E C 1.957 178.562 176.600 0.008 0.000 0.988 379 E CA 0.833 57.236 56.400 0.005 0.000 0.811 379 E CB 0.001 29.698 29.700 -0.005 0.000 0.746 379 E HN 0.350 nan 8.360 nan 0.000 0.466 380 L N -0.660 120.567 121.223 0.006 0.000 2.558 380 L HA 0.190 4.530 4.340 -0.000 0.000 0.225 380 L C 1.295 178.174 176.870 0.015 0.000 1.128 380 L CA 0.365 55.210 54.840 0.008 0.000 0.868 380 L CB 0.165 42.225 42.059 0.002 0.000 1.006 380 L HN 0.398 nan 8.230 nan 0.000 0.454 381 G N 1.373 110.186 108.800 0.021 0.000 2.160 381 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 381 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 381 G C 0.002 174.922 174.900 0.032 0.000 1.022 381 G CA -0.090 45.026 45.100 0.027 0.000 0.741 381 G HN 0.309 nan 8.290 nan 0.000 0.508 382 I N 0.414 121.004 120.570 0.034 0.000 2.404 382 I HA 0.282 4.452 4.170 -0.000 0.000 0.293 382 I C 0.358 176.515 176.117 0.067 0.000 0.992 382 I CA -0.966 60.358 61.300 0.041 0.000 1.149 382 I CB 1.560 39.574 38.000 0.024 0.000 1.315 382 I HN 0.185 nan 8.210 nan 0.000 0.446 383 D N 3.432 123.889 120.400 0.094 0.000 2.472 383 D HA -0.055 4.585 4.640 -0.000 0.000 0.237 383 D C 1.353 177.750 176.300 0.162 0.000 1.141 383 D CA 0.297 54.397 54.000 0.166 0.000 0.875 383 D CB 1.105 42.032 40.800 0.212 0.000 1.192 383 D HN 0.603 nan 8.370 nan 0.000 0.450 384 S N 3.081 118.923 115.700 0.236 0.000 2.419 384 S HA -0.205 4.265 4.470 -0.000 0.000 0.233 384 S C 1.918 176.534 174.600 0.027 0.000 1.016 384 S CA 0.437 58.730 58.200 0.154 0.000 0.974 384 S CB -0.323 63.016 63.200 0.232 0.000 0.786 384 S HN 0.632 nan 8.310 nan 0.000 0.492 385 L N 0.628 121.829 121.223 -0.037 0.000 2.095 385 L HA 0.122 4.462 4.340 -0.000 0.000 0.204 385 L C 2.567 179.382 176.870 -0.092 0.000 1.080 385 L CA 1.349 56.037 54.840 -0.254 0.000 0.759 385 L CB -0.273 41.407 42.059 -0.632 0.000 0.914 385 L HN 0.224 nan 8.230 nan 0.000 0.439 386 K N 0.585 120.983 120.400 -0.004 0.000 2.057 386 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 386 K C 1.898 178.502 176.600 0.006 0.000 1.049 386 K CA 1.779 58.072 56.287 0.012 0.000 0.931 386 K CB -0.513 32.015 32.500 0.046 0.000 0.714 386 K HN 0.400 nan 8.250 nan 0.000 0.440 387 I N 0.151 120.725 120.570 0.006 0.000 2.454 387 I HA -0.248 3.922 4.170 -0.000 0.000 0.254 387 I C 1.832 177.934 176.117 -0.025 0.000 1.156 387 I CA 1.101 62.392 61.300 -0.016 0.000 1.433 387 I CB 0.059 38.040 38.000 -0.031 0.000 1.082 387 I HN 0.175 nan 8.210 nan 0.000 0.432 388 R N -0.170 120.332 120.500 0.004 0.000 2.075 388 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 388 R C 2.249 178.613 176.300 0.107 0.000 1.114 388 R CA 1.159 57.319 56.100 0.100 0.000 0.972 388 R CB -0.257 30.122 30.300 0.130 0.000 0.869 388 R HN 0.451 nan 8.270 nan 0.000 0.437 389 Q N 0.506 120.325 119.800 0.032 0.000 2.096 389 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 389 Q C 2.092 178.114 176.000 0.036 0.000 0.982 389 Q CA 1.320 57.135 55.803 0.020 0.000 0.850 389 Q CB -0.114 28.619 28.738 -0.009 0.000 0.901 389 Q HN 0.375 nan 8.270 nan 0.000 0.422 390 I N 1.095 121.682 120.570 0.028 0.000 2.335 390 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 390 I C 1.319 177.461 176.117 0.043 0.000 1.129 390 I CA 0.847 62.162 61.300 0.025 0.000 1.402 390 I CB -0.132 37.874 38.000 0.010 0.000 1.069 390 I HN 0.229 nan 8.210 nan 0.000 0.424 391 N N 0.367 119.111 118.700 0.073 0.000 2.235 391 N HA 0.207 4.947 4.740 -0.000 0.000 0.209 391 N C 0.301 175.940 175.510 0.215 0.000 1.122 391 N CA 0.040 53.164 53.050 0.124 0.000 0.845 391 N CB 0.412 38.920 38.487 0.035 0.000 1.004 391 N HN 0.292 nan 8.380 nan 0.000 0.499 392 M N 0.756 120.444 119.600 0.148 0.000 2.232 392 M HA 0.108 4.588 4.480 -0.000 0.000 0.321 392 M C 0.541 176.806 176.300 -0.059 0.000 1.101 392 M CA 0.025 55.389 55.300 0.107 0.000 1.181 392 M CB 0.820 33.497 32.600 0.129 0.000 1.432 392 M HN -0.132 nan 8.290 nan 0.000 0.457 393 L N 3.899 124.926 121.223 -0.327 0.000 2.540 393 L HA -0.025 4.315 4.340 -0.000 0.000 0.276 393 L C -1.037 175.603 176.870 -0.382 0.000 1.212 393 L CA -1.021 53.420 54.840 -0.664 0.000 0.893 393 L CB -0.175 41.083 42.059 -1.335 0.000 1.138 393 L HN 0.555 nan 8.230 nan 0.000 0.491 394 P HA -0.111 nan 4.420 nan 0.000 0.221 394 P C -0.134 177.115 177.300 -0.086 0.000 1.150 394 P CA 1.173 64.192 63.100 -0.134 0.000 0.800 394 P CB 0.360 31.974 31.700 -0.143 0.000 0.787 395 Q N -0.652 119.112 119.800 -0.061 0.000 2.482 395 Q HA 0.451 4.791 4.340 -0.000 0.000 0.286 395 Q C -1.659 174.339 176.000 -0.002 0.000 1.007 395 Q CA -0.906 54.886 55.803 -0.018 0.000 0.801 395 Q CB 1.607 30.353 28.738 0.012 0.000 1.455 395 Q HN -0.113 nan 8.270 nan 0.000 0.398 396 I N 2.340 122.914 120.570 0.007 0.000 2.533 396 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 396 I C -2.031 174.121 176.117 0.058 0.000 1.056 396 I CA -1.760 59.561 61.300 0.036 0.000 1.057 396 I CB 1.373 39.392 38.000 0.033 0.000 1.240 396 I HN 0.650 nan 8.210 nan 0.000 0.423 397 P HA 0.174 nan 4.420 nan 0.000 0.269 397 P C -1.535 175.833 177.300 0.113 0.000 1.215 397 P CA 0.089 63.248 63.100 0.099 0.000 0.780 397 P CB 1.023 32.772 31.700 0.082 0.000 0.898 398 Y N 0.793 121.078 120.300 -0.025 0.000 2.406 398 Y HA 0.392 4.942 4.550 -0.000 0.000 0.340 398 Y C -1.100 174.791 175.900 -0.015 0.000 0.975 398 Y CA -0.886 57.185 58.100 -0.048 0.000 1.056 398 Y CB 1.835 40.224 38.460 -0.119 0.000 1.210 398 Y HN 0.119 nan 8.280 nan 0.000 0.448 399 V N 5.953 125.641 119.914 -0.378 0.000 2.370 399 V HA 0.321 4.441 4.120 -0.000 0.000 0.283 399 V C 0.228 176.113 176.094 -0.348 0.000 1.023 399 V CA -0.472 61.687 62.300 -0.236 0.000 0.857 399 V CB 1.353 33.053 31.823 -0.205 0.000 0.985 399 V HN 0.907 nan 8.190 nan 0.000 0.443 400 T N 2.345 116.873 114.554 -0.044 0.000 2.788 400 T HA 0.304 4.654 4.350 -0.000 0.000 0.287 400 T C 1.195 175.872 174.700 -0.039 0.000 1.007 400 T CA -0.444 61.691 62.100 0.058 0.000 1.005 400 T CB 0.691 69.658 68.868 0.165 0.000 1.012 400 T HN 0.464 nan 8.240 nan 0.000 0.530 401 M N -0.117 119.488 119.600 0.007 0.000 2.460 401 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 401 M C 1.349 177.546 176.300 -0.172 0.000 1.071 401 M CA 1.302 56.597 55.300 -0.007 0.000 1.096 401 M CB -0.426 32.248 32.600 0.122 0.000 1.408 401 M HN 0.796 nan 8.290 nan 0.000 0.463 402 Y N 0.232 120.137 120.300 -0.658 0.000 2.466 402 Y HA 0.316 4.866 4.550 -0.000 0.000 0.272 402 Y C 1.156 176.896 175.900 -0.267 0.000 1.169 402 Y CA 0.393 58.078 58.100 -0.691 0.000 1.285 402 Y CB 0.200 37.913 38.460 -1.246 0.000 1.078 402 Y HN 0.300 nan 8.280 nan 0.000 0.523 403 A N 0.075 122.826 122.820 -0.115 0.000 3.028 403 A HA -0.278 4.042 4.320 -0.000 0.000 0.248 403 A C 0.301 177.862 177.584 -0.038 0.000 1.316 403 A CA 0.900 52.879 52.037 -0.097 0.000 1.003 403 A CB -2.316 16.597 19.000 -0.145 0.000 1.148 403 A HN 0.586 nan 8.150 nan 0.000 0.828 404 Q N -0.617 119.220 119.800 0.063 0.000 2.299 404 Q HA 0.562 4.902 4.340 -0.000 0.000 0.246 404 Q C 0.394 176.472 176.000 0.130 0.000 0.935 404 Q CA -0.060 55.840 55.803 0.161 0.000 0.887 404 Q CB 0.654 29.614 28.738 0.370 0.000 1.223 404 Q HN 0.505 nan 8.270 nan 0.000 0.439 405 R N 1.352 121.923 120.500 0.119 0.000 2.272 405 R HA 0.308 4.648 4.340 -0.000 0.000 0.323 405 R C -1.228 175.248 176.300 0.294 0.000 1.002 405 R CA -0.441 55.698 56.100 0.065 0.000 0.900 405 R CB 0.914 31.026 30.300 -0.313 0.000 1.151 405 R HN 0.332 nan 8.270 nan 0.000 0.507 406 V N 5.469 125.582 119.914 0.331 0.000 2.372 406 V HA 0.079 4.199 4.120 -0.000 0.000 0.261 406 V C 1.009 177.290 176.094 0.311 0.000 1.055 406 V CA 0.003 62.547 62.300 0.407 0.000 0.930 406 V CB 1.132 33.163 31.823 0.347 0.000 1.031 406 V HN 0.749 nan 8.190 nan 0.000 0.479 407 M N 2.722 122.528 119.600 0.343 0.000 2.414 407 M HA 0.208 4.688 4.480 -0.000 0.000 0.251 407 M C 0.593 177.042 176.300 0.248 0.000 1.116 407 M CA 0.349 55.816 55.300 0.279 0.000 1.056 407 M CB 0.093 32.884 32.600 0.317 0.000 1.388 407 M HN 0.732 nan 8.290 nan 0.000 0.487 408 S N -0.494 115.388 115.700 0.303 0.000 2.536 408 S HA 0.621 5.091 4.470 -0.000 0.000 0.271 408 S C -1.476 173.354 174.600 0.383 0.000 1.134 408 S CA -0.711 57.656 58.200 0.279 0.000 0.897 408 S CB 2.350 65.695 63.200 0.242 0.000 1.094 408 S HN 0.249 nan 8.310 nan 0.000 0.473 409 Y N 1.251 121.592 120.300 0.069 0.000 2.294 409 Y HA 0.560 5.110 4.550 -0.000 0.000 0.329 409 Y C 0.418 176.221 175.900 -0.162 0.000 1.135 409 Y CA -0.374 57.648 58.100 -0.129 0.000 1.213 409 Y CB 1.145 39.474 38.460 -0.220 0.000 1.141 409 Y HN 0.984 nan 8.280 nan 0.000 0.446 410 G N 2.646 111.272 108.800 -0.290 0.000 3.233 410 G HA2 0.075 4.035 3.960 -0.000 0.000 0.227 410 G HA3 0.075 4.035 3.960 -0.000 0.000 0.227 410 G C 0.977 175.631 174.900 -0.410 0.000 1.175 410 G CA 0.570 45.529 45.100 -0.236 0.000 0.781 410 G HN 0.573 nan 8.290 nan 0.000 0.542 411 V N 1.727 121.103 119.914 -0.898 0.000 2.324 411 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 411 V C 0.485 176.343 176.094 -0.393 0.000 1.060 411 V CA 2.253 64.102 62.300 -0.752 0.000 1.042 411 V CB -0.902 30.194 31.823 -1.213 0.000 0.650 411 V HN 0.268 nan 8.190 nan 0.000 0.450 412 P HA -0.198 nan 4.420 nan 0.000 0.215 412 P C 1.703 178.935 177.300 -0.114 0.000 1.157 412 P CA 1.704 64.719 63.100 -0.142 0.000 0.868 412 P CB 0.039 31.696 31.700 -0.070 0.000 0.788 413 E N -1.053 119.081 120.200 -0.110 0.000 2.106 413 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 413 E C 1.624 178.182 176.600 -0.069 0.000 0.984 413 E CA 1.091 57.449 56.400 -0.069 0.000 0.806 413 E CB -0.404 29.267 29.700 -0.047 0.000 0.750 413 E HN 0.125 nan 8.360 nan 0.000 0.458 414 C N 0.562 119.805 119.300 -0.095 0.000 2.413 414 C HA -0.118 4.342 4.460 -0.000 0.000 0.276 414 C C 2.609 177.554 174.990 -0.075 0.000 1.248 414 C CA 0.509 59.485 59.018 -0.069 0.000 1.742 414 C CB -1.002 26.689 27.740 -0.081 0.000 2.017 414 C HN 0.475 nan 8.230 nan 0.000 0.481 415 L N 0.468 121.625 121.223 -0.110 0.000 2.056 415 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 415 L C 2.822 179.628 176.870 -0.108 0.000 1.078 415 L CA 1.342 56.108 54.840 -0.123 0.000 0.749 415 L CB -0.694 41.286 42.059 -0.132 0.000 0.901 415 L HN 0.342 nan 8.230 nan 0.000 0.433 416 E N 0.182 120.334 120.200 -0.079 0.000 2.110 416 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 416 E C 2.176 178.750 176.600 -0.042 0.000 0.988 416 E CA 0.909 57.275 56.400 -0.057 0.000 0.804 416 E CB -0.061 29.616 29.700 -0.039 0.000 0.745 416 E HN 0.358 nan 8.360 nan 0.000 0.458 417 K N 0.621 121.002 120.400 -0.032 0.000 2.057 417 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 417 K C 2.368 178.967 176.600 -0.002 0.000 1.050 417 K CA 1.288 57.571 56.287 -0.007 0.000 0.935 417 K CB -0.656 31.850 32.500 0.010 0.000 0.715 417 K HN 0.214 nan 8.250 nan 0.000 0.439 418 V N -0.477 119.429 119.914 -0.013 0.000 2.548 418 V HA -0.087 4.032 4.120 -0.000 0.000 0.249 418 V C 2.420 178.471 176.094 -0.071 0.000 1.055 418 V CA 1.463 63.763 62.300 0.000 0.000 1.065 418 V CB -0.540 31.297 31.823 0.024 0.000 0.681 418 V HN 0.168 nan 8.190 nan 0.000 0.462 419 K N 1.196 121.535 120.400 -0.102 0.000 2.032 419 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 419 K C 2.225 178.810 176.600 -0.025 0.000 1.048 419 K CA 1.929 58.168 56.287 -0.080 0.000 0.927 419 K CB -0.519 31.927 32.500 -0.090 0.000 0.712 419 K HN 0.557 nan 8.250 nan 0.000 0.441 420 A N 0.946 123.744 122.820 -0.037 0.000 1.873 420 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 420 A C 2.334 179.870 177.584 -0.080 0.000 1.186 420 A CA 1.740 53.756 52.037 -0.035 0.000 0.616 420 A CB -0.827 18.164 19.000 -0.016 0.000 0.823 420 A HN 0.488 nan 8.150 nan 0.000 0.442 421 A N 0.190 122.957 122.820 -0.088 0.000 1.972 421 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 421 A C 2.351 179.627 177.584 -0.514 0.000 1.169 421 A CA 2.200 54.163 52.037 -0.122 0.000 0.635 421 A CB -0.728 18.311 19.000 0.065 0.000 0.810 421 A HN 1.010 nan 8.150 nan 0.000 0.446 422 S N -2.019 113.243 115.700 -0.730 0.000 2.548 422 S HA 0.376 4.846 4.470 -0.000 0.000 0.215 422 S C 1.344 175.560 174.600 -0.640 0.000 0.976 422 S CA 0.970 58.366 58.200 -1.341 0.000 0.908 422 S CB -0.349 62.287 63.200 -0.940 0.000 0.781 422 S HN 1.903 nan 8.310 nan 0.000 0.519 423 G N 1.290 109.910 108.800 -0.300 0.000 2.221 423 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.265 423 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.265 423 G C 0.438 175.290 174.900 -0.080 0.000 1.041 423 G CA 0.256 45.266 45.100 -0.152 0.000 0.807 423 G HN 0.564 nan 8.290 nan 0.000 0.502 424 W N 0.095 121.268 121.300 -0.212 0.000 2.317 424 W HA -0.130 4.530 4.660 -0.000 0.000 0.318 424 W C 1.848 178.315 176.519 -0.086 0.000 1.227 424 W CA 2.121 59.382 57.345 -0.140 0.000 1.269 424 W CB -0.186 29.206 29.460 -0.113 0.000 1.155 424 W HN 0.579 nan 8.180 nan 0.000 0.484 425 E N 0.045 120.333 120.200 0.146 0.000 2.077 425 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 425 E C 1.811 178.374 176.600 -0.061 0.000 0.989 425 E CA 1.840 58.272 56.400 0.054 0.000 0.800 425 E CB -0.152 29.598 29.700 0.083 0.000 0.746 425 E HN 0.304 nan 8.360 nan 0.000 0.452 426 E N 0.034 120.197 120.200 -0.061 0.000 2.106 426 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 426 E C 1.914 178.444 176.600 -0.117 0.000 0.984 426 E CA 1.062 57.416 56.400 -0.076 0.000 0.806 426 E CB 0.093 29.757 29.700 -0.060 0.000 0.750 426 E HN 0.112 nan 8.360 nan 0.000 0.458 427 R N -0.131 120.264 120.500 -0.174 0.000 2.250 427 R HA 0.148 4.488 4.340 -0.000 0.000 0.194 427 R C 0.451 176.577 176.300 -0.291 0.000 0.927 427 R CA -0.216 55.764 56.100 -0.198 0.000 1.052 427 R CB 0.139 30.337 30.300 -0.170 0.000 1.055 427 R HN -0.141 nan 8.270 nan 0.000 0.537 428 K N 1.170 121.274 120.400 -0.493 0.000 2.472 428 K HA 0.007 4.327 4.320 -0.000 0.000 0.280 428 K C 0.743 177.123 176.600 -0.366 0.000 1.028 428 K CA 1.212 57.108 56.287 -0.650 0.000 1.045 428 K CB 0.208 31.945 32.500 -1.270 0.000 0.902 428 K HN 0.335 nan 8.250 nan 0.000 0.478 429 G N 3.950 112.588 108.800 -0.269 0.000 2.179 429 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 429 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 429 G C 0.199 175.021 174.900 -0.130 0.000 0.977 429 G CA 0.659 45.660 45.100 -0.166 0.000 0.641 429 G HN 0.627 nan 8.290 nan 0.000 0.533 430 K N -0.114 120.203 120.400 -0.139 0.000 2.646 430 K HA 0.454 4.774 4.320 -0.000 0.000 0.206 430 K C 0.561 177.109 176.600 -0.087 0.000 1.069 430 K CA -0.312 55.914 56.287 -0.102 0.000 1.067 430 K CB 0.677 33.118 32.500 -0.098 0.000 0.807 430 K HN 0.324 nan 8.250 nan 0.000 0.482 431 L N 1.545 122.714 121.223 -0.090 0.000 2.375 431 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 431 L C -2.033 174.804 176.870 -0.056 0.000 1.058 431 L CA -2.254 52.545 54.840 -0.067 0.000 0.803 431 L CB 0.248 42.269 42.059 -0.063 0.000 1.212 431 L HN -0.122 nan 8.230 nan 0.000 0.451 432 P HA 0.049 nan 4.420 nan 0.000 0.269 432 P C -0.771 176.506 177.300 -0.038 0.000 1.215 432 P CA -0.415 62.663 63.100 -0.036 0.000 0.780 432 P CB 0.443 32.127 31.700 -0.027 0.000 0.898 433 K N 1.068 121.445 120.400 -0.039 0.000 2.448 433 K HA 0.243 4.563 4.320 -0.000 0.000 0.278 433 K C 1.040 177.621 176.600 -0.031 0.000 1.009 433 K CA 0.933 57.193 56.287 -0.045 0.000 0.995 433 K CB -0.511 31.963 32.500 -0.043 0.000 0.917 433 K HN 0.740 nan 8.250 nan 0.000 0.481 434 G N 2.858 111.637 108.800 -0.035 0.000 2.194 434 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 434 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 434 G C 0.000 174.906 174.900 0.009 0.000 0.987 434 G CA 0.280 45.372 45.100 -0.014 0.000 0.635 434 G HN 0.661 nan 8.290 nan 0.000 0.520 435 R N -0.002 120.499 120.500 0.002 0.000 2.750 435 R HA 0.675 5.015 4.340 -0.000 0.000 0.281 435 R C 0.132 176.438 176.300 0.010 0.000 0.972 435 R CA 0.254 56.374 56.100 0.034 0.000 0.912 435 R CB 1.636 31.956 30.300 0.034 0.000 1.187 435 R HN 0.767 nan 8.270 nan 0.000 0.464 436 G N 2.220 111.045 108.800 0.042 0.000 2.660 436 G HA2 0.544 4.504 3.960 -0.000 0.000 0.290 436 G HA3 0.544 4.504 3.960 -0.000 0.000 0.290 436 G C -1.922 173.017 174.900 0.064 0.000 1.432 436 G CA -0.694 44.417 45.100 0.018 0.000 0.807 436 G HN 0.426 nan 8.290 nan 0.000 0.485 437 L N -0.226 121.020 121.223 0.038 0.000 2.370 437 L HA 0.859 5.199 4.340 -0.000 0.000 0.266 437 L C 0.372 177.380 176.870 0.230 0.000 1.002 437 L CA -0.788 54.126 54.840 0.123 0.000 0.818 437 L CB 2.618 44.649 42.059 -0.046 0.000 1.325 437 L HN 0.870 nan 8.230 nan 0.000 0.418 438 G N 1.872 110.903 108.800 0.384 0.000 2.696 438 G HA2 0.710 4.670 3.960 -0.000 0.000 0.295 438 G HA3 0.710 4.670 3.960 -0.000 0.000 0.295 438 G C -2.101 173.003 174.900 0.340 0.000 1.398 438 G CA -0.379 44.954 45.100 0.388 0.000 0.920 438 G HN 0.516 nan 8.290 nan 0.000 0.492 439 I N 0.174 120.855 120.570 0.185 0.000 2.828 439 I HA 0.857 5.027 4.170 -0.000 0.000 0.302 439 I C -0.497 175.616 176.117 -0.005 0.000 1.101 439 I CA -0.938 60.333 61.300 -0.049 0.000 1.031 439 I CB 2.214 39.929 38.000 -0.475 0.000 1.231 439 I HN 0.943 nan 8.210 nan 0.000 0.427 440 A N 6.496 129.312 122.820 -0.007 0.000 2.612 440 A HA 0.732 5.051 4.320 -0.000 0.000 0.293 440 A C -2.110 175.494 177.584 0.035 0.000 1.075 440 A CA -0.561 51.498 52.037 0.036 0.000 0.680 440 A CB 1.463 20.496 19.000 0.055 0.000 1.279 440 A HN 0.635 nan 8.150 nan 0.000 0.411 441 L N 1.126 122.388 121.223 0.065 0.000 2.322 441 L HA 0.847 5.187 4.340 -0.000 0.000 0.269 441 L C 0.341 177.231 176.870 0.034 0.000 1.012 441 L CA -0.462 54.392 54.840 0.023 0.000 0.815 441 L CB 2.285 44.321 42.059 -0.038 0.000 1.295 441 L HN 1.055 nan 8.230 nan 0.000 0.438 442 S N -0.468 115.254 115.700 0.037 0.000 2.588 442 S HA 0.768 5.238 4.470 -0.000 0.000 0.269 442 S C -1.495 173.201 174.600 0.159 0.000 1.157 442 S CA -0.883 57.370 58.200 0.087 0.000 0.824 442 S CB 2.213 65.463 63.200 0.083 0.000 1.126 442 S HN 0.827 nan 8.310 nan 0.000 0.464 443 H N -0.394 118.658 119.070 -0.030 0.000 3.014 443 H HA 0.834 5.390 4.556 -0.000 0.000 0.337 443 H C -2.169 173.212 175.328 0.088 0.000 1.320 443 H CA -1.321 54.676 56.048 -0.085 0.000 1.128 443 H CB 0.768 30.311 29.762 -0.365 0.000 1.862 443 H HN 0.718 nan 8.280 nan 0.000 0.536 444 F N 0.751 120.612 119.950 -0.149 0.000 2.686 444 F HA 0.471 4.998 4.527 -0.000 0.000 0.311 444 F C -0.704 175.044 175.800 -0.086 0.000 1.128 444 F CA -0.398 57.502 58.000 -0.167 0.000 0.946 444 F CB 1.687 40.604 39.000 -0.138 0.000 1.336 444 F HN 0.617 nan 8.300 nan 0.000 0.457 445 V N 0.938 120.309 119.914 -0.905 0.000 3.003 445 V HA 0.447 4.567 4.120 -0.000 0.000 0.305 445 V C -0.048 175.852 176.094 -0.324 0.000 1.078 445 V CA -0.330 61.548 62.300 -0.703 0.000 1.083 445 V CB 0.988 32.374 31.823 -0.728 0.000 1.039 445 V HN 0.725 nan 8.190 nan 0.000 0.481 446 S N 2.690 118.175 115.700 -0.358 0.000 2.979 446 S HA 0.657 5.127 4.470 -0.000 0.000 0.210 446 S C 0.507 174.961 174.600 -0.242 0.000 1.364 446 S CA 0.317 58.400 58.200 -0.195 0.000 1.208 446 S CB -0.579 62.531 63.200 -0.150 0.000 1.167 446 S HN 1.979 nan 8.310 nan 0.000 0.519 447 G N 1.144 109.834 108.800 -0.183 0.000 2.911 447 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 447 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 447 G C -0.459 174.345 174.900 -0.160 0.000 1.136 447 G CA -1.211 43.791 45.100 -0.162 0.000 0.764 447 G HN 0.245 nan 8.290 nan 0.000 0.626 448 T N 2.031 116.562 114.554 -0.038 0.000 2.834 448 T HA 0.415 4.765 4.350 -0.000 0.000 0.298 448 T C 1.899 176.566 174.700 -0.055 0.000 0.966 448 T CA 0.595 62.696 62.100 0.002 0.000 1.141 448 T CB 0.971 69.942 68.868 0.172 0.000 0.905 448 T HN 1.577 nan 8.240 nan 0.000 0.535 449 S N 1.916 117.568 115.700 -0.081 0.000 2.607 449 S HA 0.011 4.481 4.470 -0.000 0.000 0.224 449 S C 0.763 175.286 174.600 -0.127 0.000 0.969 449 S CA -0.173 57.980 58.200 -0.078 0.000 0.927 449 S CB -0.037 63.158 63.200 -0.009 0.000 0.772 449 S HN 0.589 nan 8.310 nan 0.000 0.533 450 T N 4.094 118.589 114.554 -0.099 0.000 2.809 450 T HA 0.547 4.897 4.350 -0.000 0.000 0.284 450 T C -2.801 171.856 174.700 -0.072 0.000 0.992 450 T CA -1.311 60.733 62.100 -0.093 0.000 0.957 450 T CB 1.671 70.538 68.868 -0.002 0.000 0.942 450 T HN 0.068 nan 8.240 nan 0.000 0.439 451 P HA 0.268 nan 4.420 nan 0.000 0.270 451 P C 0.742 178.080 177.300 0.062 0.000 1.223 451 P CA -0.494 62.625 63.100 0.031 0.000 0.785 451 P CB 0.893 32.603 31.700 0.018 0.000 0.923 452 K N -0.140 120.304 120.400 0.073 0.000 2.155 452 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 452 K C 0.065 176.488 176.600 -0.295 0.000 1.052 452 K CA 1.052 57.240 56.287 -0.164 0.000 0.948 452 K CB -0.249 32.022 32.500 -0.382 0.000 0.728 452 K HN 0.604 nan 8.250 nan 0.000 0.448 453 H N -1.387 117.738 119.070 0.092 0.000 2.476 453 H HA 0.123 4.679 4.556 -0.000 0.000 0.328 453 H C -1.390 174.005 175.328 0.112 0.000 1.073 453 H CA -0.836 55.274 56.048 0.103 0.000 1.229 453 H CB 0.631 30.466 29.762 0.122 0.000 1.432 453 H HN 0.136 nan 8.280 nan 0.000 0.477 454 W N 5.068 126.446 121.300 0.130 0.000 2.507 454 W HA 0.182 4.842 4.660 -0.000 0.000 0.334 454 W C 0.232 176.820 176.519 0.114 0.000 1.165 454 W CA -0.073 57.333 57.345 0.101 0.000 1.460 454 W CB 0.564 30.058 29.460 0.056 0.000 1.404 454 W HN 0.747 nan 8.180 nan 0.000 0.435 455 T N 1.206 115.424 114.554 -0.560 0.000 3.016 455 T HA 0.218 4.568 4.350 -0.000 0.000 0.271 455 T C 1.416 175.577 174.700 -0.898 0.000 0.968 455 T CA 0.306 62.136 62.100 -0.450 0.000 0.891 455 T CB 0.209 68.998 68.868 -0.131 0.000 1.149 455 T HN 1.059 nan 8.240 nan 0.000 0.524 456 G N 1.559 109.477 108.800 -1.470 0.000 2.155 456 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 456 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 456 G C -0.195 174.466 174.900 -0.397 0.000 0.983 456 G CA 0.430 44.966 45.100 -0.939 0.000 0.676 456 G HN 0.689 nan 8.290 nan 0.000 0.528 457 E N 0.964 120.975 120.200 -0.315 0.000 2.312 457 E HA 0.459 4.809 4.350 -0.000 0.000 0.259 457 E C -1.816 174.699 176.600 -0.142 0.000 1.122 457 E CA -1.664 54.628 56.400 -0.180 0.000 0.922 457 E CB 0.838 30.453 29.700 -0.141 0.000 1.109 457 E HN 0.213 nan 8.360 nan 0.000 0.442 458 P HA -0.030 nan 4.420 nan 0.000 0.270 458 P C -0.345 176.936 177.300 -0.031 0.000 1.223 458 P CA 0.353 63.351 63.100 -0.170 0.000 0.785 458 P CB 0.476 32.099 31.700 -0.129 0.000 0.923 459 H N -0.469 118.544 119.070 -0.095 0.000 2.547 459 H HA 0.316 4.872 4.556 -0.000 0.000 0.272 459 H C 0.572 175.898 175.328 -0.004 0.000 0.989 459 H CA -0.032 55.992 56.048 -0.040 0.000 1.214 459 H CB 0.425 30.177 29.762 -0.018 0.000 1.389 459 H HN 0.491 nan 8.280 nan 0.000 0.577 460 A N 0.375 123.261 122.820 0.110 0.000 2.589 460 A HA 0.526 4.846 4.320 -0.000 0.000 0.296 460 A C -0.920 176.677 177.584 0.021 0.000 1.062 460 A CA -0.658 51.415 52.037 0.060 0.000 0.686 460 A CB 1.652 20.712 19.000 0.100 0.000 1.282 460 A HN 0.054 nan 8.150 nan 0.000 0.404 461 T N 0.963 115.509 114.554 -0.013 0.000 2.971 461 T HA 0.608 4.958 4.350 -0.000 0.000 0.304 461 T C -1.185 173.500 174.700 -0.025 0.000 1.038 461 T CA -0.400 61.686 62.100 -0.024 0.000 1.007 461 T CB 1.510 70.351 68.868 -0.046 0.000 1.055 461 T HN 0.853 nan 8.240 nan 0.000 0.451 462 V N 3.636 123.539 119.914 -0.019 0.000 2.656 462 V HA 0.508 4.628 4.120 -0.000 0.000 0.307 462 V C -0.504 175.580 176.094 -0.017 0.000 1.051 462 V CA -0.986 61.301 62.300 -0.021 0.000 0.893 462 V CB 2.191 34.003 31.823 -0.019 0.000 0.999 462 V HN 0.866 nan 8.190 nan 0.000 0.426 463 N N 3.609 122.298 118.700 -0.018 0.000 2.370 463 N HA 0.790 5.530 4.740 -0.000 0.000 0.303 463 N C -1.387 174.118 175.510 -0.009 0.000 1.103 463 N CA -0.703 52.339 53.050 -0.013 0.000 0.848 463 N CB 2.017 40.495 38.487 -0.014 0.000 1.235 463 N HN 0.474 nan 8.380 nan 0.000 0.496 464 L N 1.295 122.518 121.223 -0.001 0.000 2.354 464 L HA 0.551 4.891 4.340 -0.000 0.000 0.269 464 L C -0.390 176.485 176.870 0.009 0.000 1.005 464 L CA -0.835 54.008 54.840 0.005 0.000 0.819 464 L CB 1.842 43.911 42.059 0.017 0.000 1.311 464 L HN 0.367 nan 8.230 nan 0.000 0.423 465 K N 3.243 123.648 120.400 0.009 0.000 2.397 465 K HA 0.605 4.925 4.320 -0.000 0.000 0.253 465 K C -2.090 174.520 176.600 0.016 0.000 0.932 465 K CA -0.636 55.657 56.287 0.010 0.000 0.795 465 K CB 2.317 34.820 32.500 0.004 0.000 1.159 465 K HN 0.439 nan 8.250 nan 0.000 0.424 466 L N 3.717 124.952 121.223 0.020 0.000 2.439 466 L HA 0.500 4.840 4.340 -0.000 0.000 0.270 466 L C -1.022 175.852 176.870 0.006 0.000 0.972 466 L CA -0.197 54.657 54.840 0.024 0.000 0.836 466 L CB 1.574 43.667 42.059 0.057 0.000 1.255 466 L HN 0.702 nan 8.230 nan 0.000 0.404 467 D N 2.152 122.536 120.400 -0.027 0.000 2.666 467 D HA 0.246 4.886 4.640 -0.000 0.000 0.252 467 D C 1.056 177.305 176.300 -0.085 0.000 1.143 467 D CA -0.114 53.881 54.000 -0.008 0.000 1.096 467 D CB 1.184 42.001 40.800 0.028 0.000 1.260 467 D HN 0.415 nan 8.370 nan 0.000 0.633 468 F N 0.684 120.635 119.950 0.001 0.000 2.192 468 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 468 F C 1.561 177.369 175.800 0.014 0.000 1.079 468 F CA 1.758 59.756 58.000 -0.003 0.000 1.303 468 F CB -0.626 38.369 39.000 -0.007 0.000 1.024 468 F HN 0.207 nan 8.300 nan 0.000 0.494 469 D N -0.478 119.065 120.400 -1.428 0.000 2.312 469 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 469 D C 2.038 178.152 176.300 -0.311 0.000 0.964 469 D CA 1.089 54.538 54.000 -0.919 0.000 0.877 469 D CB -0.445 39.784 40.800 -0.952 0.000 0.924 469 D HN 0.573 nan 8.370 nan 0.000 0.515 470 G N 0.323 109.014 108.800 -0.182 0.000 2.199 470 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 470 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 470 G C 0.605 175.551 174.900 0.077 0.000 0.982 470 G CA 0.177 45.316 45.100 0.066 0.000 0.632 470 G HN 0.774 nan 8.290 nan 0.000 0.529 471 G N -0.144 108.628 108.800 -0.047 0.000 2.390 471 G HA2 0.580 4.540 3.960 -0.000 0.000 0.270 471 G HA3 0.580 4.540 3.960 -0.000 0.000 0.270 471 G C -0.046 174.844 174.900 -0.015 0.000 1.211 471 G CA -0.539 44.535 45.100 -0.044 0.000 0.842 471 G HN 0.593 nan 8.290 nan 0.000 0.519 472 I N 1.479 122.042 120.570 -0.010 0.000 2.336 472 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 472 I C 0.258 176.367 176.117 -0.014 0.000 0.991 472 I CA -0.283 61.023 61.300 0.009 0.000 1.227 472 I CB 1.808 39.820 38.000 0.020 0.000 1.366 472 I HN 0.255 nan 8.210 nan 0.000 0.466 473 T N 7.472 122.019 114.554 -0.011 0.000 2.767 473 T HA 0.441 4.791 4.350 -0.000 0.000 0.284 473 T C -0.405 174.286 174.700 -0.016 0.000 0.973 473 T CA -0.352 61.736 62.100 -0.019 0.000 0.996 473 T CB 1.084 69.941 68.868 -0.018 0.000 0.927 473 T HN 0.336 nan 8.240 nan 0.000 0.456 474 L N 4.950 126.159 121.223 -0.023 0.000 2.287 474 L HA 0.609 4.949 4.340 -0.000 0.000 0.287 474 L C -1.458 175.393 176.870 -0.031 0.000 1.022 474 L CA -0.879 53.947 54.840 -0.024 0.000 0.814 474 L CB 0.555 42.597 42.059 -0.027 0.000 1.217 474 L HN 0.543 nan 8.230 nan 0.000 0.420 475 L N 4.996 126.202 121.223 -0.028 0.000 2.287 475 L HA 0.620 4.960 4.340 -0.000 0.000 0.287 475 L C -0.005 176.843 176.870 -0.036 0.000 1.022 475 L CA -0.014 54.807 54.840 -0.033 0.000 0.814 475 L CB 1.833 43.876 42.059 -0.026 0.000 1.217 475 L HN 0.541 nan 8.230 nan 0.000 0.420 476 T N 0.924 115.451 114.554 -0.045 0.000 2.933 476 T HA 0.485 4.835 4.350 -0.000 0.000 0.305 476 T C 0.856 175.523 174.700 -0.055 0.000 1.092 476 T CA -0.171 61.899 62.100 -0.049 0.000 1.008 476 T CB 1.638 70.475 68.868 -0.052 0.000 1.102 476 T HN 0.656 nan 8.240 nan 0.000 0.469 477 G N 1.884 110.651 108.800 -0.055 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 0.694 175.559 174.900 -0.060 0.000 1.159 477 G CA 0.308 45.375 45.100 -0.054 0.000 0.784 477 G HN 1.055 nan 8.290 nan 0.000 0.535 478 A N 0.321 123.102 122.820 -0.065 0.000 2.462 478 A HA 0.632 4.952 4.320 -0.000 0.000 0.243 478 A C 0.663 178.198 177.584 -0.081 0.000 1.076 478 A CA 0.366 52.361 52.037 -0.070 0.000 0.773 478 A CB 0.394 19.353 19.000 -0.068 0.000 1.010 478 A HN 0.863 nan 8.150 nan 0.000 0.493 479 A N 2.689 125.460 122.820 -0.081 0.000 2.269 479 A HA 0.473 4.793 4.320 -0.000 0.000 0.302 479 A C -0.092 177.430 177.584 -0.102 0.000 1.266 479 A CA -0.431 51.549 52.037 -0.094 0.000 0.894 479 A CB 0.080 19.032 19.000 -0.081 0.000 1.147 479 A HN 0.802 nan 8.150 nan 0.000 0.537 480 D N 3.093 123.418 120.400 -0.125 0.000 2.295 480 D HA 0.288 4.928 4.640 -0.000 0.000 0.248 480 D C 0.658 176.892 176.300 -0.110 0.000 1.154 480 D CA -0.151 53.780 54.000 -0.115 0.000 0.857 480 D CB 0.747 41.466 40.800 -0.136 0.000 1.117 480 D HN 0.552 nan 8.370 nan 0.000 0.468 481 I N 0.739 121.253 120.570 -0.094 0.000 3.936 481 I HA 0.463 4.633 4.170 -0.000 0.000 0.330 481 I C 0.962 177.033 176.117 -0.077 0.000 1.509 481 I CA -0.418 60.821 61.300 -0.102 0.000 1.126 481 I CB 0.461 38.362 38.000 -0.164 0.000 1.115 481 I HN 0.510 nan 8.210 nan 0.000 0.424 482 G N 2.522 111.307 108.800 -0.025 0.000 2.231 482 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.206 482 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.206 482 G C 1.059 175.963 174.900 0.007 0.000 0.996 482 G CA 0.374 45.486 45.100 0.019 0.000 0.645 482 G HN 0.526 nan 8.290 nan 0.000 0.498 483 Q N 1.344 121.131 119.800 -0.023 0.000 2.331 483 Q HA 0.340 4.680 4.340 -0.000 0.000 0.203 483 Q C 1.640 177.634 176.000 -0.009 0.000 0.944 483 Q CA 1.841 57.638 55.803 -0.010 0.000 0.892 483 Q CB -0.176 28.548 28.738 -0.024 0.000 0.983 483 Q HN 1.951 nan 8.270 nan 0.000 0.482 484 G N 1.207 109.995 108.800 -0.020 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 0.779 175.658 174.900 -0.035 0.000 1.009 484 G CA 0.715 45.803 45.100 -0.021 0.000 0.677 484 G HN 0.553 nan 8.290 nan 0.000 0.508 485 S N 0.234 115.906 115.700 -0.047 0.000 2.400 485 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 485 S C 1.991 176.557 174.600 -0.057 0.000 1.025 485 S CA 1.631 59.799 58.200 -0.052 0.000 0.993 485 S CB -0.228 62.935 63.200 -0.062 0.000 0.808 485 S HN 0.401 nan 8.310 nan 0.000 0.478 486 N N 1.610 120.270 118.700 -0.066 0.000 2.244 486 N HA -0.022 4.718 4.740 -0.000 0.000 0.183 486 N C 1.715 177.194 175.510 -0.052 0.000 1.016 486 N CA 1.722 54.731 53.050 -0.068 0.000 0.866 486 N CB -1.012 37.422 38.487 -0.088 0.000 0.980 486 N HN 0.546 nan 8.380 nan 0.000 0.430 487 T N 1.663 116.191 114.554 -0.043 0.000 2.770 487 T HA -0.035 4.315 4.350 -0.000 0.000 0.263 487 T C 1.878 176.554 174.700 -0.040 0.000 1.039 487 T CA 0.587 62.664 62.100 -0.038 0.000 1.142 487 T CB -0.103 68.747 68.868 -0.029 0.000 0.868 487 T HN 0.135 nan 8.240 nan 0.000 0.435 488 M N 1.948 121.525 119.600 -0.038 0.000 2.073 488 M HA -0.119 4.361 4.480 -0.000 0.000 0.258 488 M C 2.469 178.749 176.300 -0.034 0.000 1.070 488 M CA 2.201 57.479 55.300 -0.036 0.000 1.103 488 M CB -1.028 31.551 32.600 -0.035 0.000 1.321 488 M HN 0.278 nan 8.290 nan 0.000 0.405 489 A N -0.573 122.224 122.820 -0.038 0.000 1.933 489 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 489 A C 2.248 179.815 177.584 -0.029 0.000 1.175 489 A CA 2.231 54.248 52.037 -0.033 0.000 0.628 489 A CB -0.921 18.055 19.000 -0.040 0.000 0.814 489 A HN 0.652 nan 8.150 nan 0.000 0.444 490 S N -0.313 115.365 115.700 -0.037 0.000 2.356 490 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 490 S C 2.121 176.695 174.600 -0.043 0.000 1.032 490 S CA 1.509 59.685 58.200 -0.040 0.000 1.005 490 S CB -0.362 62.810 63.200 -0.046 0.000 0.867 490 S HN 0.693 nan 8.310 nan 0.000 0.449 491 Q N 0.438 120.208 119.800 -0.050 0.000 2.061 491 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 491 Q C 2.542 178.503 176.000 -0.065 0.000 0.984 491 Q CA 1.858 57.619 55.803 -0.070 0.000 0.846 491 Q CB -0.538 28.152 28.738 -0.081 0.000 0.902 491 Q HN 0.661 nan 8.270 nan 0.000 0.421 492 V N -2.372 117.537 119.914 -0.008 0.000 2.453 492 V HA -0.064 4.056 4.120 -0.000 0.000 0.247 492 V C 2.085 178.249 176.094 0.117 0.000 1.048 492 V CA 1.563 63.926 62.300 0.106 0.000 1.049 492 V CB -1.019 30.920 31.823 0.193 0.000 0.672 492 V HN 0.262 nan 8.190 nan 0.000 0.457 493 A N 0.820 123.666 122.820 0.044 0.000 1.898 493 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 493 A C 2.485 180.080 177.584 0.018 0.000 1.181 493 A CA 2.090 54.147 52.037 0.034 0.000 0.620 493 A CB -1.042 17.963 19.000 0.009 0.000 0.819 493 A HN 0.933 nan 8.150 nan 0.000 0.442 494 A N -0.290 122.518 122.820 -0.020 0.000 1.933 494 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 494 A C 1.948 179.500 177.584 -0.053 0.000 1.175 494 A CA 2.089 54.095 52.037 -0.052 0.000 0.628 494 A CB -0.430 18.522 19.000 -0.081 0.000 0.814 494 A HN 0.535 nan 8.150 nan 0.000 0.444 495 E N 0.052 120.216 120.200 -0.061 0.000 2.051 495 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 495 E C 1.821 178.433 176.600 0.020 0.000 0.991 495 E CA 1.657 58.000 56.400 -0.095 0.000 0.799 495 E CB -0.445 29.077 29.700 -0.296 0.000 0.748 495 E HN 0.233 nan 8.360 nan 0.000 0.449 496 V N 0.518 120.504 119.914 0.121 0.000 2.343 496 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 496 V C 2.385 178.511 176.094 0.054 0.000 1.051 496 V CA 1.779 64.155 62.300 0.127 0.000 1.036 496 V CB -0.438 31.453 31.823 0.114 0.000 0.654 496 V HN 0.302 nan 8.190 nan 0.000 0.451 497 L N 0.174 121.421 121.223 0.040 0.000 2.478 497 L HA 0.203 4.543 4.340 -0.000 0.000 0.223 497 L C 1.732 178.597 176.870 -0.007 0.000 1.140 497 L CA 0.949 55.817 54.840 0.048 0.000 0.842 497 L CB -0.566 41.542 42.059 0.082 0.000 0.953 497 L HN 0.563 nan 8.230 nan 0.000 0.452 498 G N 0.665 109.437 108.800 -0.048 0.000 2.176 498 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 498 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 498 G C 0.175 175.011 174.900 -0.106 0.000 1.024 498 G CA 0.299 45.347 45.100 -0.087 0.000 0.755 498 G HN 0.284 nan 8.290 nan 0.000 0.507 499 V N -3.876 115.962 119.914 -0.127 0.000 3.096 499 V HA 0.899 5.019 4.120 -0.000 0.000 0.319 499 V C 0.691 176.686 176.094 -0.166 0.000 1.103 499 V CA -1.866 60.308 62.300 -0.209 0.000 1.016 499 V CB 1.332 32.940 31.823 -0.358 0.000 1.090 499 V HN 0.320 nan 8.190 nan 0.000 0.449 500 R N 0.378 120.771 120.500 -0.178 0.000 2.539 500 R HA 0.356 4.696 4.340 -0.000 0.000 0.275 500 R C 0.960 177.186 176.300 -0.124 0.000 1.077 500 R CA -0.408 55.614 56.100 -0.131 0.000 1.097 500 R CB 0.641 30.872 30.300 -0.115 0.000 1.018 500 R HN 0.777 nan 8.270 nan 0.000 0.483 501 L N 2.204 123.369 121.223 -0.098 0.000 2.127 501 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 501 L C 1.849 178.671 176.870 -0.080 0.000 1.089 501 L CA 2.105 56.894 54.840 -0.084 0.000 0.757 501 L CB -0.432 41.584 42.059 -0.071 0.000 0.899 501 L HN 0.844 nan 8.230 nan 0.000 0.434 502 S N -1.359 114.294 115.700 -0.080 0.000 2.469 502 S HA -0.228 4.242 4.470 -0.000 0.000 0.238 502 S C 2.088 176.637 174.600 -0.084 0.000 0.998 502 S CA 0.925 59.082 58.200 -0.071 0.000 0.957 502 S CB -0.696 62.466 63.200 -0.063 0.000 0.764 502 S HN 0.578 nan 8.310 nan 0.000 0.514 503 R N 0.501 120.931 120.500 -0.116 0.000 2.299 503 R HA 0.308 4.648 4.340 -0.000 0.000 0.197 503 R C -0.124 176.116 176.300 -0.101 0.000 0.971 503 R CA 0.233 56.251 56.100 -0.137 0.000 1.030 503 R CB -0.011 30.143 30.300 -0.243 0.000 0.932 503 R HN 0.437 nan 8.270 nan 0.000 0.477 504 I N 1.577 122.097 120.570 -0.082 0.000 2.354 504 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 504 I C -0.187 175.900 176.117 -0.050 0.000 0.989 504 I CA -0.736 60.528 61.300 -0.060 0.000 1.188 504 I CB 1.642 39.609 38.000 -0.055 0.000 1.342 504 I HN 0.001 nan 8.210 nan 0.000 0.457 505 R N 6.279 126.753 120.500 -0.043 0.000 2.295 505 R HA 0.565 4.905 4.340 -0.000 0.000 0.324 505 R C -1.503 174.772 176.300 -0.040 0.000 0.968 505 R CA -0.487 55.590 56.100 -0.039 0.000 0.837 505 R CB 1.490 31.769 30.300 -0.036 0.000 1.133 505 R HN 0.438 nan 8.270 nan 0.000 0.450 506 V N 6.527 126.413 119.914 -0.046 0.000 2.407 506 V HA 0.336 4.456 4.120 -0.000 0.000 0.278 506 V C 0.177 176.233 176.094 -0.063 0.000 1.037 506 V CA -0.663 61.604 62.300 -0.055 0.000 0.900 506 V CB 1.477 33.261 31.823 -0.064 0.000 0.983 506 V HN 0.632 nan 8.190 nan 0.000 0.459 507 I N 4.885 125.420 120.570 -0.059 0.000 2.378 507 I HA 0.557 4.727 4.170 -0.000 0.000 0.291 507 I C 0.222 176.295 176.117 -0.073 0.000 0.992 507 I CA 0.094 61.355 61.300 -0.064 0.000 1.154 507 I CB 1.652 39.624 38.000 -0.045 0.000 1.315 507 I HN 0.781 nan 8.210 nan 0.000 0.448 508 S N 3.576 119.218 115.700 -0.096 0.000 2.569 508 S HA 0.785 5.255 4.470 -0.000 0.000 0.280 508 S C 0.072 174.614 174.600 -0.097 0.000 1.111 508 S CA -0.267 57.875 58.200 -0.098 0.000 0.887 508 S CB 2.176 65.303 63.200 -0.122 0.000 1.095 508 S HN 1.361 nan 8.310 nan 0.000 0.476 509 A N 0.634 123.409 122.820 -0.076 0.000 2.610 509 A HA -0.020 4.300 4.320 -0.000 0.000 0.299 509 A C -0.081 177.475 177.584 -0.046 0.000 1.487 509 A CA 1.045 53.045 52.037 -0.061 0.000 0.743 509 A CB -2.147 16.804 19.000 -0.081 0.000 1.070 509 A HN 1.049 nan 8.150 nan 0.000 0.439 510 D N -0.202 120.179 120.400 -0.031 0.000 2.476 510 D HA 0.462 5.102 4.640 -0.000 0.000 0.251 510 D C 1.187 177.492 176.300 0.008 0.000 1.291 510 D CA 0.287 54.276 54.000 -0.018 0.000 0.939 510 D CB 1.157 41.940 40.800 -0.027 0.000 1.221 510 D HN 0.566 nan 8.370 nan 0.000 0.567 511 S N 2.453 118.177 115.700 0.040 0.000 2.440 511 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 511 S C 1.785 176.425 174.600 0.067 0.000 1.010 511 S CA 1.016 59.269 58.200 0.088 0.000 0.972 511 S CB -0.114 63.213 63.200 0.212 0.000 0.774 511 S HN 0.428 nan 8.310 nan 0.000 0.501 512 A N 0.591 123.434 122.820 0.038 0.000 2.123 512 A HA 0.459 4.779 4.320 -0.000 0.000 0.214 512 A C 2.030 179.622 177.584 0.013 0.000 1.152 512 A CA 0.611 52.665 52.037 0.028 0.000 0.728 512 A CB -0.306 18.703 19.000 0.015 0.000 0.814 512 A HN 0.568 nan 8.150 nan 0.000 0.464 513 L N -1.250 119.976 121.223 0.005 0.000 2.624 513 L HA 0.141 4.481 4.340 -0.000 0.000 0.222 513 L C 0.966 177.830 176.870 -0.011 0.000 1.046 513 L CA 0.748 55.586 54.840 -0.005 0.000 0.872 513 L CB 0.185 42.237 42.059 -0.012 0.000 1.190 513 L HN 0.361 nan 8.230 nan 0.000 0.487 514 T N -1.350 113.196 114.554 -0.013 0.000 2.895 514 T HA 0.499 4.849 4.350 -0.000 0.000 0.283 514 T C -2.630 172.055 174.700 -0.026 0.000 1.014 514 T CA -2.090 59.996 62.100 -0.023 0.000 1.037 514 T CB 1.504 70.353 68.868 -0.033 0.000 1.006 514 T HN -0.168 nan 8.240 nan 0.000 0.468 515 P HA 0.117 nan 4.420 nan 0.000 0.268 515 P C -0.151 177.107 177.300 -0.070 0.000 1.205 515 P CA -0.533 62.537 63.100 -0.049 0.000 0.771 515 P CB 0.605 32.276 31.700 -0.048 0.000 0.858 516 K N 2.430 122.769 120.400 -0.101 0.000 2.485 516 K HA -0.014 4.306 4.320 -0.000 0.000 0.277 516 K C -0.593 175.892 176.600 -0.192 0.000 0.990 516 K CA 0.580 56.766 56.287 -0.169 0.000 0.994 516 K CB -0.050 32.276 32.500 -0.291 0.000 0.906 516 K HN 0.509 nan 8.250 nan 0.000 0.488 517 D N 1.743 122.031 120.400 -0.187 0.000 2.575 517 D HA 0.255 4.895 4.640 -0.000 0.000 0.236 517 D C 0.462 176.663 176.300 -0.164 0.000 1.075 517 D CA -0.610 53.300 54.000 -0.149 0.000 0.860 517 D CB 1.004 41.754 40.800 -0.085 0.000 1.475 517 D HN 0.397 nan 8.370 nan 0.000 0.474 518 N N 1.403 120.048 118.700 -0.091 0.000 2.520 518 N HA 0.184 4.924 4.740 -0.000 0.000 0.185 518 N C 0.474 176.059 175.510 0.125 0.000 1.068 518 N CA 1.057 54.156 53.050 0.081 0.000 0.911 518 N CB 0.165 38.785 38.487 0.221 0.000 0.961 518 N HN 0.632 nan 8.380 nan 0.000 0.446 519 G N -1.150 107.665 108.800 0.026 0.000 2.428 519 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.681 519 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.681 519 G C -1.119 173.775 174.900 -0.009 0.000 1.340 519 G CA -0.796 44.322 45.100 0.030 0.000 0.915 519 G HN -0.014 nan 8.290 nan 0.000 0.645 520 S N 1.281 116.983 115.700 0.004 0.000 3.363 520 S HA 0.611 5.081 4.470 -0.000 0.000 0.267 520 S C -0.482 174.135 174.600 0.028 0.000 1.288 520 S CA -0.026 58.141 58.200 -0.054 0.000 0.948 520 S CB -0.603 62.560 63.200 -0.061 0.000 1.397 520 S HN 1.255 nan 8.310 nan 0.000 0.493 521 Y N -0.958 119.350 120.300 0.013 0.000 2.571 521 Y HA 0.604 5.154 4.550 -0.000 0.000 0.341 521 Y C 0.345 176.307 175.900 0.104 0.000 1.076 521 Y CA -0.994 57.138 58.100 0.054 0.000 1.029 521 Y CB 0.554 39.080 38.460 0.110 0.000 1.308 521 Y HN 0.394 nan 8.280 nan 0.000 0.461 522 S N -0.000 115.841 115.700 0.235 0.000 3.445 522 S HA -0.321 4.149 4.470 -0.000 0.000 0.319 522 S C 0.285 174.978 174.600 0.154 0.000 1.209 522 S CA 0.966 59.350 58.200 0.307 0.000 0.934 522 S CB -2.795 60.630 63.200 0.374 0.000 0.999 522 S HN 2.066 nan 8.310 nan 0.000 0.582 523 S N -0.296 115.436 115.700 0.053 0.000 3.682 523 S HA -0.281 4.189 4.470 -0.000 0.000 0.354 523 S C 1.063 175.643 174.600 -0.034 0.000 1.034 523 S CA 1.288 59.504 58.200 0.027 0.000 1.084 523 S CB -1.574 61.697 63.200 0.118 0.000 0.903 523 S HN 1.240 nan 8.310 nan 0.000 0.470 524 R N -1.001 119.419 120.500 -0.134 0.000 2.280 524 R HA 0.260 4.600 4.340 -0.000 0.000 0.195 524 R C 1.569 177.829 176.300 -0.067 0.000 0.935 524 R CA 0.590 56.611 56.100 -0.133 0.000 1.033 524 R CB -0.174 29.964 30.300 -0.270 0.000 0.964 524 R HN 0.372 nan 8.270 nan 0.000 0.489 525 V N 1.412 121.279 119.914 -0.078 0.000 2.307 525 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 525 V C 2.026 178.105 176.094 -0.026 0.000 1.045 525 V CA 2.320 64.586 62.300 -0.057 0.000 1.024 525 V CB -0.472 31.308 31.823 -0.071 0.000 0.651 525 V HN 0.393 nan 8.190 nan 0.000 0.449 526 T N -0.060 114.487 114.554 -0.012 0.000 2.708 526 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 526 T C 1.707 176.378 174.700 -0.048 0.000 1.037 526 T CA 1.975 64.059 62.100 -0.025 0.000 1.146 526 T CB -0.420 68.442 68.868 -0.011 0.000 0.865 526 T HN 0.398 nan 8.240 nan 0.000 0.435 527 F N 1.094 120.968 119.950 -0.127 0.000 2.102 527 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 527 F C 2.343 177.977 175.800 -0.277 0.000 1.105 527 F CA 1.447 59.330 58.000 -0.195 0.000 1.239 527 F CB -0.157 38.739 39.000 -0.173 0.000 0.991 527 F HN 0.078 nan 8.300 nan 0.000 0.474 528 M N -1.221 118.452 119.600 0.121 0.000 2.191 528 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 528 M C 1.996 178.307 176.300 0.019 0.000 1.083 528 M CA 1.069 56.438 55.300 0.114 0.000 1.154 528 M CB -0.548 32.179 32.600 0.211 0.000 1.344 528 M HN -0.056 nan 8.290 nan 0.000 0.431 529 V N 0.521 120.430 119.914 -0.008 0.000 2.548 529 V HA -0.112 4.008 4.120 -0.000 0.000 0.249 529 V C 2.578 178.633 176.094 -0.064 0.000 1.055 529 V CA 1.980 64.264 62.300 -0.027 0.000 1.065 529 V CB -1.527 30.274 31.823 -0.036 0.000 0.681 529 V HN 0.631 nan 8.190 nan 0.000 0.462 530 G N 0.257 108.995 108.800 -0.103 0.000 2.421 530 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 530 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 530 G C 1.468 176.255 174.900 -0.188 0.000 1.171 530 G CA 0.881 45.903 45.100 -0.130 0.000 0.775 530 G HN 0.492 nan 8.290 nan 0.000 0.543 531 N N 1.103 119.617 118.700 -0.309 0.000 2.188 531 N HA -0.040 4.700 4.740 -0.000 0.000 0.184 531 N C 2.500 177.932 175.510 -0.130 0.000 1.018 531 N CA 1.185 54.025 53.050 -0.351 0.000 0.858 531 N CB -0.423 37.605 38.487 -0.763 0.000 0.989 531 N HN 0.295 nan 8.380 nan 0.000 0.426 532 A N 0.290 123.087 122.820 -0.038 0.000 1.933 532 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 532 A C 2.466 180.040 177.584 -0.016 0.000 1.175 532 A CA 1.536 53.584 52.037 0.018 0.000 0.628 532 A CB -0.540 18.484 19.000 0.041 0.000 0.814 532 A HN 0.241 nan 8.150 nan 0.000 0.444 533 S N -0.286 115.394 115.700 -0.035 0.000 2.383 533 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 533 S C 1.783 176.370 174.600 -0.021 0.000 1.026 533 S CA 1.253 59.439 58.200 -0.024 0.000 0.981 533 S CB -0.416 62.770 63.200 -0.024 0.000 0.818 533 S HN 0.551 nan 8.310 nan 0.000 0.472 534 I N 1.144 121.685 120.570 -0.049 0.000 2.226 534 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 534 I C 2.442 178.529 176.117 -0.049 0.000 1.100 534 I CA 0.869 62.131 61.300 -0.063 0.000 1.374 534 I CB -0.357 37.536 38.000 -0.179 0.000 1.057 534 I HN 0.211 nan 8.210 nan 0.000 0.413 535 S N 0.581 116.254 115.700 -0.045 0.000 2.370 535 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 535 S C 2.200 176.794 174.600 -0.009 0.000 1.033 535 S CA 1.522 59.709 58.200 -0.022 0.000 1.011 535 S CB -0.324 62.875 63.200 -0.001 0.000 0.852 535 S HN 0.560 nan 8.310 nan 0.000 0.457 536 A N 1.289 124.105 122.820 -0.005 0.000 1.898 536 A HA 0.186 4.506 4.320 -0.000 0.000 0.216 536 A C 2.340 179.932 177.584 0.013 0.000 1.181 536 A CA 1.609 53.647 52.037 0.002 0.000 0.620 536 A CB -1.041 17.959 19.000 0.000 0.000 0.819 536 A HN 0.515 nan 8.150 nan 0.000 0.442 537 A N -0.126 122.704 122.820 0.016 0.000 1.933 537 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 537 A C 1.895 179.501 177.584 0.038 0.000 1.175 537 A CA 1.553 53.610 52.037 0.034 0.000 0.628 537 A CB -0.404 18.620 19.000 0.040 0.000 0.814 537 A HN 0.536 nan 8.150 nan 0.000 0.444 538 E N 0.049 120.260 120.200 0.018 0.000 2.150 538 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 538 E C 1.771 178.386 176.600 0.024 0.000 0.985 538 E CA 0.936 57.346 56.400 0.017 0.000 0.814 538 E CB -0.265 29.432 29.700 -0.006 0.000 0.752 538 E HN 0.645 nan 8.360 nan 0.000 0.466 539 E N 0.780 120.991 120.200 0.018 0.000 2.072 539 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 539 E C 2.226 178.844 176.600 0.030 0.000 0.985 539 E CA 0.493 56.904 56.400 0.018 0.000 0.801 539 E CB -0.188 29.519 29.700 0.011 0.000 0.750 539 E HN 0.127 nan 8.360 nan 0.000 0.452 540 L N 1.806 123.054 121.223 0.041 0.000 2.056 540 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 540 L C 2.326 179.246 176.870 0.084 0.000 1.078 540 L CA 1.822 56.697 54.840 0.058 0.000 0.749 540 L CB -0.420 41.683 42.059 0.074 0.000 0.901 540 L HN -0.067 nan 8.230 nan 0.000 0.433 541 K N -0.809 119.648 120.400 0.096 0.000 2.063 541 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 541 K C 1.995 178.663 176.600 0.113 0.000 1.048 541 K CA 1.403 57.767 56.287 0.130 0.000 0.928 541 K CB -0.624 31.933 32.500 0.095 0.000 0.713 541 K HN 0.493 nan 8.250 nan 0.000 0.442 542 G N 0.530 109.371 108.800 0.069 0.000 2.440 542 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 542 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 542 G C 1.469 176.394 174.900 0.042 0.000 1.154 542 G CA 1.050 46.181 45.100 0.051 0.000 0.767 542 G HN 0.218 nan 8.290 nan 0.000 0.552 543 V N 0.858 120.791 119.914 0.031 0.000 2.358 543 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 543 V C 2.893 178.977 176.094 -0.017 0.000 1.047 543 V CA 1.438 63.741 62.300 0.004 0.000 1.035 543 V CB -0.371 31.451 31.823 -0.002 0.000 0.658 543 V HN 0.345 nan 8.190 nan 0.000 0.452 544 L N -0.716 120.510 121.223 0.005 0.000 2.109 544 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 544 L C 2.454 179.296 176.870 -0.048 0.000 1.086 544 L CA 0.831 55.624 54.840 -0.079 0.000 0.760 544 L CB -0.595 41.458 42.059 -0.009 0.000 0.910 544 L HN 0.177 nan 8.230 nan 0.000 0.437 545 V N 0.144 120.144 119.914 0.143 0.000 2.427 545 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 545 V C 2.586 178.712 176.094 0.054 0.000 1.051 545 V CA 1.727 64.135 62.300 0.180 0.000 1.048 545 V CB -0.430 31.497 31.823 0.173 0.000 0.666 545 V HN 0.406 nan 8.190 nan 0.000 0.456 546 K N 0.116 120.528 120.400 0.019 0.000 2.032 546 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 546 K C 2.198 178.775 176.600 -0.039 0.000 1.048 546 K CA 1.687 57.971 56.287 -0.006 0.000 0.927 546 K CB -0.357 32.138 32.500 -0.008 0.000 0.712 546 K HN 0.443 nan 8.250 nan 0.000 0.441 547 A N 0.707 123.479 122.820 -0.079 0.000 1.930 547 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 547 A C 2.262 179.762 177.584 -0.140 0.000 1.175 547 A CA 1.782 53.749 52.037 -0.116 0.000 0.627 547 A CB -0.701 18.201 19.000 -0.162 0.000 0.815 547 A HN 0.467 nan 8.150 nan 0.000 0.443 548 A N -0.064 122.647 122.820 -0.183 0.000 1.873 548 A HA 0.197 4.517 4.320 -0.000 0.000 0.215 548 A C 2.515 180.069 177.584 -0.050 0.000 1.186 548 A CA 1.973 53.908 52.037 -0.170 0.000 0.616 548 A CB -1.054 17.833 19.000 -0.188 0.000 0.823 548 A HN 1.036 nan 8.150 nan 0.000 0.442 549 A N -0.059 122.755 122.820 -0.011 0.000 1.908 549 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 549 A C 2.152 179.730 177.584 -0.009 0.000 1.181 549 A CA 2.138 54.180 52.037 0.008 0.000 0.627 549 A CB -0.492 18.519 19.000 0.018 0.000 0.818 549 A HN 0.577 nan 8.150 nan 0.000 0.445 550 K N -0.191 120.194 120.400 -0.025 0.000 2.026 550 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 550 K C 2.152 178.734 176.600 -0.030 0.000 1.048 550 K CA 1.810 58.081 56.287 -0.026 0.000 0.929 550 K CB -0.204 32.276 32.500 -0.033 0.000 0.713 550 K HN 0.419 nan 8.250 nan 0.000 0.439 551 K N 0.455 120.828 120.400 -0.044 0.000 2.211 551 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 551 K C 1.622 178.206 176.600 -0.027 0.000 1.050 551 K CA 0.836 57.097 56.287 -0.043 0.000 0.945 551 K CB 0.134 32.593 32.500 -0.068 0.000 0.732 551 K HN 0.201 nan 8.250 nan 0.000 0.451 552 L N 0.210 121.422 121.223 -0.018 0.000 2.607 552 L HA 0.038 4.378 4.340 -0.000 0.000 0.228 552 L C 0.230 177.101 176.870 0.001 0.000 1.123 552 L CA -0.026 54.813 54.840 -0.002 0.000 0.890 552 L CB 0.188 42.255 42.059 0.014 0.000 1.103 552 L HN 0.265 nan 8.230 nan 0.000 0.468 553 D N 0.774 121.172 120.400 -0.003 0.000 2.837 553 D HA -0.177 4.463 4.640 -0.000 0.000 0.230 553 D C 0.088 176.390 176.300 0.004 0.000 1.152 553 D CA 0.838 54.837 54.000 -0.001 0.000 0.736 553 D CB -0.290 40.509 40.800 -0.001 0.000 1.084 553 D HN 0.377 nan 8.370 nan 0.000 0.429 554 A N 0.052 122.877 122.820 0.008 0.000 2.309 554 A HA 0.798 5.118 4.320 -0.000 0.000 0.317 554 A C 0.323 177.915 177.584 0.014 0.000 1.134 554 A CA -0.595 51.450 52.037 0.014 0.000 0.866 554 A CB 1.033 20.046 19.000 0.022 0.000 1.329 554 A HN 0.255 nan 8.150 nan 0.000 0.477 555 R N 0.335 120.844 120.500 0.015 0.000 2.459 555 R HA 0.363 4.703 4.340 -0.000 0.000 0.281 555 R C -0.206 176.107 176.300 0.023 0.000 1.050 555 R CA -0.388 55.721 56.100 0.015 0.000 1.055 555 R CB 0.917 31.225 30.300 0.012 0.000 1.045 555 R HN 0.784 nan 8.270 nan 0.000 0.495 556 E N 1.512 121.726 120.200 0.023 0.000 2.118 556 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 556 E C 1.040 177.659 176.600 0.033 0.000 0.992 556 E CA 1.702 58.121 56.400 0.033 0.000 0.804 556 E CB 0.057 29.774 29.700 0.028 0.000 0.741 556 E HN 0.637 nan 8.360 nan 0.000 0.458 557 E N 0.816 121.030 120.200 0.023 0.000 2.204 557 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 557 E C 0.917 177.529 176.600 0.020 0.000 0.990 557 E CA 1.105 57.517 56.400 0.019 0.000 0.821 557 E CB -0.045 29.663 29.700 0.014 0.000 0.750 557 E HN 0.234 nan 8.360 nan 0.000 0.477 558 D N -0.611 119.802 120.400 0.023 0.000 2.339 558 D HA 0.050 4.690 4.640 -0.000 0.000 0.217 558 D C -0.269 176.049 176.300 0.030 0.000 1.050 558 D CA 0.066 54.079 54.000 0.022 0.000 0.856 558 D CB 0.350 41.162 40.800 0.020 0.000 0.922 558 D HN 0.055 nan 8.370 nan 0.000 0.518 559 I N 1.566 122.162 120.570 0.042 0.000 2.395 559 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 559 I C 0.431 176.564 176.117 0.027 0.000 1.023 559 I CA -0.198 61.139 61.300 0.062 0.000 1.350 559 I CB 0.948 39.018 38.000 0.118 0.000 1.409 559 I HN -0.086 nan 8.210 nan 0.000 0.507 560 E N 4.624 124.825 120.200 0.001 0.000 2.222 560 E HA 0.479 4.829 4.350 -0.000 0.000 0.267 560 E C -1.255 175.257 176.600 -0.146 0.000 0.884 560 E CA -0.732 55.636 56.400 -0.053 0.000 0.764 560 E CB 2.982 32.661 29.700 -0.035 0.000 1.169 560 E HN 0.242 nan 8.360 nan 0.000 0.413 561 V N 4.733 124.501 119.914 -0.242 0.000 2.311 561 V HA 0.365 4.485 4.120 -0.000 0.000 0.275 561 V C -0.283 175.669 176.094 -0.236 0.000 1.022 561 V CA -0.446 61.592 62.300 -0.437 0.000 0.830 561 V CB 0.269 31.707 31.823 -0.641 0.000 1.012 561 V HN 0.529 nan 8.190 nan 0.000 0.452 562 I N 3.439 123.908 120.570 -0.168 0.000 2.382 562 I HA 0.397 4.567 4.170 -0.000 0.000 0.285 562 I C 0.091 176.167 176.117 -0.069 0.000 1.007 562 I CA -0.640 60.603 61.300 -0.095 0.000 1.142 562 I CB 1.391 39.357 38.000 -0.057 0.000 1.289 562 I HN 0.610 nan 8.210 nan 0.000 0.453 563 D N 6.455 126.813 120.400 -0.071 0.000 2.890 563 D HA -0.246 4.394 4.640 -0.000 0.000 0.226 563 D C 0.447 176.731 176.300 -0.028 0.000 1.207 563 D CA 1.195 55.161 54.000 -0.055 0.000 0.764 563 D CB -0.286 40.489 40.800 -0.042 0.000 0.948 563 D HN 0.851 nan 8.370 nan 0.000 0.404 564 E N -1.350 118.835 120.200 -0.025 0.000 2.791 564 E HA -0.250 4.100 4.350 -0.000 0.000 0.271 564 E C -0.129 176.591 176.600 0.200 0.000 1.044 564 E CA 0.859 57.313 56.400 0.090 0.000 0.814 564 E CB -0.695 29.017 29.700 0.019 0.000 1.400 564 E HN 0.442 nan 8.360 nan 0.000 0.423 565 M N 0.052 119.709 119.600 0.096 0.000 2.326 565 M HA 0.420 4.900 4.480 -0.000 0.000 0.306 565 M C -0.663 175.685 176.300 0.080 0.000 1.054 565 M CA -0.558 54.835 55.300 0.156 0.000 0.922 565 M CB 1.109 33.757 32.600 0.081 0.000 1.632 565 M HN -0.067 nan 8.290 nan 0.000 0.436 566 F N 4.209 124.187 119.950 0.048 0.000 2.361 566 F HA 0.549 5.076 4.527 -0.000 0.000 0.364 566 F C 0.148 175.959 175.800 0.017 0.000 1.120 566 F CA -0.406 57.611 58.000 0.029 0.000 1.102 566 F CB 0.832 39.837 39.000 0.008 0.000 1.183 566 F HN 0.345 nan 8.300 nan 0.000 0.476 567 M N 2.755 122.422 119.600 0.111 0.000 2.705 567 M HA 0.506 4.986 4.480 -0.000 0.000 0.311 567 M C -0.712 175.625 176.300 0.062 0.000 1.214 567 M CA -1.084 54.261 55.300 0.074 0.000 0.920 567 M CB 1.941 34.561 32.600 0.034 0.000 1.687 567 M HN 0.038 nan 8.290 nan 0.000 0.481 568 V N 1.142 121.085 119.914 0.048 0.000 2.350 568 V HA 0.179 4.299 4.120 -0.000 0.000 0.276 568 V C 0.631 176.739 176.094 0.024 0.000 1.028 568 V CA -0.566 61.757 62.300 0.037 0.000 0.860 568 V CB 1.256 33.099 31.823 0.032 0.000 0.990 568 V HN 1.001 nan 8.190 nan 0.000 0.453 569 S N 4.363 120.074 115.700 0.019 0.000 2.626 569 S HA 0.295 4.765 4.470 -0.000 0.000 0.303 569 S C 1.497 176.104 174.600 0.011 0.000 1.256 569 S CA 1.185 59.391 58.200 0.011 0.000 1.069 569 S CB -0.159 63.047 63.200 0.009 0.000 0.807 569 S HN 1.687 nan 8.310 nan 0.000 0.500 570 G N 3.464 112.269 108.800 0.008 0.000 2.458 570 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.237 570 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.237 570 G C 0.648 175.553 174.900 0.009 0.000 1.113 570 G CA 0.591 45.696 45.100 0.008 0.000 0.655 570 G HN 1.222 nan 8.290 nan 0.000 0.513 571 S N 0.719 116.426 115.700 0.012 0.000 2.572 571 S HA 0.290 4.760 4.470 -0.000 0.000 0.262 571 S C 1.800 176.408 174.600 0.012 0.000 1.375 571 S CA 1.293 59.500 58.200 0.013 0.000 0.996 571 S CB 0.679 63.888 63.200 0.016 0.000 0.892 571 S HN 0.897 nan 8.310 nan 0.000 0.562 572 Q N 0.689 120.497 119.800 0.012 0.000 2.394 572 Q HA 0.181 4.521 4.340 -0.000 0.000 0.218 572 Q C 0.166 176.174 176.000 0.014 0.000 0.907 572 Q CA -0.224 55.586 55.803 0.012 0.000 0.919 572 Q CB -0.371 28.373 28.738 0.009 0.000 1.051 572 Q HN 0.685 nan 8.270 nan 0.000 0.538 573 D N 2.617 123.027 120.400 0.016 0.000 2.629 573 D HA -0.064 4.576 4.640 -0.000 0.000 0.228 573 D C -1.447 174.867 176.300 0.024 0.000 1.127 573 D CA -0.631 53.381 54.000 0.019 0.000 0.855 573 D CB 1.137 41.950 40.800 0.021 0.000 1.180 573 D HN 0.033 nan 8.370 nan 0.000 0.484 574 P HA 0.062 nan 4.420 nan 0.000 0.225 574 P C 0.438 177.764 177.300 0.043 0.000 1.148 574 P CA 1.083 64.201 63.100 0.030 0.000 0.779 574 P CB -0.013 31.703 31.700 0.026 0.000 0.780 575 G N -0.894 107.934 108.800 0.047 0.000 2.681 575 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 575 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 575 G C -1.093 173.850 174.900 0.072 0.000 1.353 575 G CA -0.770 44.372 45.100 0.069 0.000 0.872 575 G HN 0.207 nan 8.290 nan 0.000 0.557 576 L N 0.766 122.053 121.223 0.106 0.000 2.346 576 L HA 0.618 4.958 4.340 -0.000 0.000 0.274 576 L C 1.234 178.189 176.870 0.142 0.000 1.007 576 L CA -0.385 54.500 54.840 0.075 0.000 0.818 576 L CB 2.032 44.087 42.059 -0.006 0.000 1.284 576 L HN 1.048 nan 8.230 nan 0.000 0.424 577 S N 0.927 116.689 115.700 0.104 0.000 2.593 577 S HA 0.102 4.572 4.470 -0.000 0.000 0.269 577 S C 0.901 175.617 174.600 0.195 0.000 1.334 577 S CA -0.352 57.944 58.200 0.161 0.000 1.015 577 S CB 0.629 63.897 63.200 0.114 0.000 0.912 577 S HN 0.567 nan 8.310 nan 0.000 0.541 578 F N 1.526 121.570 119.950 0.157 0.000 2.126 578 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 578 F C 2.666 178.482 175.800 0.026 0.000 1.096 578 F CA 2.248 60.351 58.000 0.172 0.000 1.255 578 F CB -0.433 38.674 39.000 0.179 0.000 0.997 578 F HN 0.704 nan 8.300 nan 0.000 0.479 579 Q N 0.862 120.772 119.800 0.185 0.000 2.124 579 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 579 Q C 1.954 177.920 176.000 -0.057 0.000 0.977 579 Q CA 2.058 57.900 55.803 0.065 0.000 0.850 579 Q CB -0.359 28.442 28.738 0.104 0.000 0.901 579 Q HN 0.591 nan 8.270 nan 0.000 0.429 580 E N -1.199 118.967 120.200 -0.056 0.000 2.106 580 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 580 E C 1.876 178.360 176.600 -0.193 0.000 0.984 580 E CA 1.249 57.594 56.400 -0.090 0.000 0.806 580 E CB 0.102 29.769 29.700 -0.055 0.000 0.750 580 E HN 0.179 nan 8.360 nan 0.000 0.458 581 V N 0.683 120.393 119.914 -0.340 0.000 2.453 581 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 581 V C 2.280 178.098 176.094 -0.460 0.000 1.048 581 V CA 1.072 63.052 62.300 -0.534 0.000 1.049 581 V CB -0.227 30.950 31.823 -1.076 0.000 0.672 581 V HN 0.131 nan 8.190 nan 0.000 0.457 582 V N -0.036 119.599 119.914 -0.465 0.000 2.287 582 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 582 V C 2.459 178.454 176.094 -0.166 0.000 1.053 582 V CA 2.210 64.316 62.300 -0.323 0.000 1.027 582 V CB -0.723 30.953 31.823 -0.244 0.000 0.646 582 V HN 0.530 nan 8.190 nan 0.000 0.447 583 K N 0.077 120.405 120.400 -0.120 0.000 2.063 583 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 583 K C 2.284 178.838 176.600 -0.076 0.000 1.048 583 K CA 1.596 57.849 56.287 -0.057 0.000 0.928 583 K CB -0.444 32.035 32.500 -0.036 0.000 0.713 583 K HN 0.495 nan 8.250 nan 0.000 0.442 584 A N 1.238 123.985 122.820 -0.121 0.000 1.930 584 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 584 A C 2.301 179.819 177.584 -0.111 0.000 1.175 584 A CA 1.696 53.665 52.037 -0.114 0.000 0.627 584 A CB -0.574 18.340 19.000 -0.143 0.000 0.815 584 A HN 0.336 nan 8.150 nan 0.000 0.443 585 A N -1.144 121.589 122.820 -0.144 0.000 2.067 585 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 585 A C 2.016 179.558 177.584 -0.069 0.000 1.158 585 A CA 1.522 53.488 52.037 -0.119 0.000 0.661 585 A CB -0.405 18.501 19.000 -0.157 0.000 0.801 585 A HN 0.420 nan 8.150 nan 0.000 0.452 586 M N -0.120 119.449 119.600 -0.052 0.000 2.319 586 M HA 0.039 4.519 4.480 -0.000 0.000 0.265 586 M C 0.614 176.903 176.300 -0.018 0.000 1.068 586 M CA 0.504 55.794 55.300 -0.015 0.000 1.118 586 M CB -0.984 31.628 32.600 0.019 0.000 1.395 586 M HN 0.086 nan 8.290 nan 0.000 0.435 587 V N 2.617 122.513 119.914 -0.030 0.000 2.617 587 V HA -0.110 4.010 4.120 -0.000 0.000 0.304 587 V C 0.351 176.431 176.094 -0.024 0.000 1.040 587 V CA 0.556 62.840 62.300 -0.027 0.000 1.149 587 V CB -0.521 31.282 31.823 -0.033 0.000 0.914 587 V HN 0.589 nan 8.190 nan 0.000 0.487 588 D N 2.439 122.827 120.400 -0.019 0.000 2.911 588 D HA -0.194 4.446 4.640 -0.000 0.000 0.227 588 D C 0.999 177.290 176.300 -0.014 0.000 1.164 588 D CA 1.327 55.318 54.000 -0.016 0.000 0.782 588 D CB -0.756 40.033 40.800 -0.018 0.000 1.094 588 D HN 0.723 nan 8.370 nan 0.000 0.425 589 S N -2.108 113.585 115.700 -0.012 0.000 3.552 589 S HA 0.491 4.961 4.470 -0.000 0.000 0.251 589 S C 1.068 175.668 174.600 0.000 0.000 1.119 589 S CA 1.306 59.501 58.200 -0.008 0.000 0.830 589 S CB 0.352 63.544 63.200 -0.014 0.000 0.946 589 S HN 1.143 nan 8.310 nan 0.000 0.470 590 G N 1.001 109.804 108.800 0.006 0.000 2.645 590 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.239 590 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.239 590 G C -0.236 174.682 174.900 0.029 0.000 1.331 590 G CA -0.274 44.840 45.100 0.023 0.000 0.890 590 G HN 1.114 nan 8.290 nan 0.000 0.572 591 T N 0.527 115.108 114.554 0.045 0.000 2.777 591 T HA 0.219 4.569 4.350 -0.000 0.000 0.273 591 T C 0.883 175.596 174.700 0.022 0.000 1.016 591 T CA 1.046 63.171 62.100 0.042 0.000 1.156 591 T CB -0.134 68.761 68.868 0.045 0.000 1.019 591 T HN 0.613 nan 8.240 nan 0.000 0.503 592 I N 4.163 124.743 120.570 0.016 0.000 2.315 592 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 592 I C 0.814 176.938 176.117 0.012 0.000 1.006 592 I CA -0.497 60.808 61.300 0.009 0.000 1.265 592 I CB 1.055 39.057 38.000 0.004 0.000 1.387 592 I HN 0.678 nan 8.210 nan 0.000 0.475 593 T N 4.165 118.725 114.554 0.009 0.000 2.848 593 T HA 0.747 5.097 4.350 -0.000 0.000 0.285 593 T C -0.411 174.292 174.700 0.005 0.000 0.995 593 T CA -0.753 61.351 62.100 0.007 0.000 0.970 593 T CB 1.584 70.454 68.868 0.005 0.000 0.976 593 T HN 0.377 nan 8.240 nan 0.000 0.441 594 V N -0.274 119.644 119.914 0.006 0.000 3.074 594 V HA 0.860 4.980 4.120 -0.000 0.000 0.314 594 V C -0.785 175.309 176.094 -0.001 0.000 1.117 594 V CA -1.270 61.032 62.300 0.004 0.000 1.014 594 V CB 2.059 33.888 31.823 0.010 0.000 1.057 594 V HN 1.188 nan 8.190 nan 0.000 0.438 595 K N 1.042 121.439 120.400 -0.004 0.000 2.397 595 K HA 0.779 5.099 4.320 -0.000 0.000 0.253 595 K C -0.424 176.171 176.600 -0.009 0.000 0.932 595 K CA -0.165 56.117 56.287 -0.009 0.000 0.795 595 K CB 2.014 34.505 32.500 -0.014 0.000 1.159 595 K HN 1.303 nan 8.250 nan 0.000 0.424 596 G N 1.415 110.210 108.800 -0.008 0.000 2.495 596 G HA2 0.597 4.557 3.960 -0.000 0.000 0.318 596 G HA3 0.597 4.557 3.960 -0.000 0.000 0.318 596 G C -0.879 174.020 174.900 -0.001 0.000 1.257 596 G CA -0.574 44.523 45.100 -0.005 0.000 0.962 596 G HN 0.636 nan 8.290 nan 0.000 0.483 597 T N -1.771 112.786 114.554 0.005 0.000 2.865 597 T HA 0.717 5.067 4.350 -0.000 0.000 0.294 597 T C -1.597 173.141 174.700 0.065 0.000 1.119 597 T CA -0.898 61.208 62.100 0.010 0.000 1.007 597 T CB 2.209 71.053 68.868 -0.040 0.000 1.225 597 T HN 0.806 nan 8.240 nan 0.000 0.515 598 Y N -0.170 120.092 120.300 -0.063 0.000 2.513 598 Y HA 0.619 5.169 4.550 -0.000 0.000 0.340 598 Y C -1.333 174.508 175.900 -0.098 0.000 1.055 598 Y CA -0.464 57.599 58.100 -0.061 0.000 1.020 598 Y CB 2.404 40.850 38.460 -0.024 0.000 1.301 598 Y HN 1.009 nan 8.280 nan 0.000 0.453 599 T N 4.827 118.692 114.554 -1.148 0.000 2.921 599 T HA 0.314 4.664 4.350 -0.000 0.000 0.297 599 T C -1.151 172.938 174.700 -1.017 0.000 1.013 599 T CA -0.480 61.001 62.100 -1.032 0.000 0.990 599 T CB 0.577 68.980 68.868 -0.777 0.000 1.023 599 T HN 0.753 nan 8.240 nan 0.000 0.447 600 C N 5.179 124.213 119.300 -0.443 0.000 2.648 600 C HA 0.282 4.742 4.460 -0.000 0.000 0.419 600 C C -1.716 173.244 174.990 -0.050 0.000 1.352 600 C CA -0.908 58.060 59.018 -0.084 0.000 1.816 600 C CB -0.736 27.122 27.740 0.196 0.000 2.598 600 C HN 0.619 nan 8.230 nan 0.000 0.598 601 P HA 0.128 nan 4.420 nan 0.000 0.269 601 P C 0.878 178.293 177.300 0.191 0.000 1.215 601 P CA 0.235 63.407 63.100 0.119 0.000 0.780 601 P CB 0.414 32.260 31.700 0.244 0.000 0.898 602 T N 0.636 115.258 114.554 0.113 0.000 2.803 602 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 602 T C 1.286 176.026 174.700 0.067 0.000 1.052 602 T CA 1.645 63.799 62.100 0.091 0.000 1.136 602 T CB -0.639 68.262 68.868 0.055 0.000 0.864 602 T HN 0.591 nan 8.240 nan 0.000 0.467 603 E N 0.868 121.094 120.200 0.044 0.000 2.187 603 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 603 E C 1.165 177.612 176.600 -0.254 0.000 1.004 603 E CA 1.226 57.555 56.400 -0.117 0.000 0.813 603 E CB -0.487 29.098 29.700 -0.191 0.000 0.736 603 E HN 0.547 nan 8.360 nan 0.000 0.468 604 F N 0.674 120.623 119.950 -0.002 0.000 2.693 604 F HA 0.163 4.690 4.527 -0.000 0.000 0.303 604 F C 1.150 176.931 175.800 -0.032 0.000 1.097 604 F CA 0.158 58.147 58.000 -0.018 0.000 1.330 604 F CB 0.366 39.350 39.000 -0.026 0.000 1.067 604 F HN -0.121 nan 8.300 nan 0.000 0.565 605 Q N 0.275 120.130 119.800 0.093 0.000 2.189 605 Q HA 0.400 4.740 4.340 -0.000 0.000 0.221 605 Q C 1.005 176.999 176.000 -0.009 0.000 0.848 605 Q CA 0.117 55.950 55.803 0.050 0.000 1.007 605 Q CB 0.581 29.361 28.738 0.070 0.000 1.116 605 Q HN 0.417 nan 8.270 nan 0.000 0.481 606 G N 1.588 110.363 108.800 -0.041 0.000 2.545 606 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 606 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 606 G C -1.326 173.511 174.900 -0.105 0.000 1.314 606 G CA -0.425 44.617 45.100 -0.098 0.000 0.906 606 G HN 0.284 nan 8.290 nan 0.000 0.563 607 D N -0.188 120.129 120.400 -0.137 0.000 2.696 607 D HA 0.444 5.084 4.640 -0.000 0.000 0.251 607 D C 1.254 177.494 176.300 -0.100 0.000 1.188 607 D CA -0.635 53.301 54.000 -0.107 0.000 0.876 607 D CB 1.493 42.226 40.800 -0.112 0.000 1.334 607 D HN 0.483 nan 8.370 nan 0.000 0.540 608 K N 1.847 122.205 120.400 -0.069 0.000 2.211 608 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 608 K C 1.425 177.987 176.600 -0.064 0.000 1.047 608 K CA 0.978 57.229 56.287 -0.059 0.000 0.935 608 K CB 0.377 32.852 32.500 -0.041 0.000 0.728 608 K HN 0.315 nan 8.250 nan 0.000 0.452 609 K N 0.597 120.958 120.400 -0.064 0.000 2.365 609 K HA 0.009 4.329 4.320 -0.000 0.000 0.199 609 K C 0.471 177.028 176.600 -0.071 0.000 1.045 609 K CA 0.601 56.852 56.287 -0.060 0.000 0.962 609 K CB 0.099 32.568 32.500 -0.051 0.000 0.759 609 K HN 0.143 nan 8.250 nan 0.000 0.469 610 I N 2.198 122.711 120.570 -0.095 0.000 2.307 610 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 610 I C 0.098 176.139 176.117 -0.127 0.000 1.054 610 I CA -0.690 60.542 61.300 -0.113 0.000 1.218 610 I CB 0.869 38.775 38.000 -0.157 0.000 1.398 610 I HN 0.009 nan 8.210 nan 0.000 0.475 611 R N 4.666 125.115 120.500 -0.085 0.000 2.538 611 R HA 0.133 4.473 4.340 -0.000 0.000 0.282 611 R C 1.198 177.459 176.300 -0.066 0.000 1.009 611 R CA 1.336 57.395 56.100 -0.068 0.000 1.063 611 R CB 0.319 30.591 30.300 -0.047 0.000 0.945 611 R HN 0.964 nan 8.270 nan 0.000 0.414 612 G N 2.121 110.880 108.800 -0.068 0.000 2.184 612 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 612 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 612 G C 0.711 175.560 174.900 -0.085 0.000 0.975 612 G CA 0.751 45.819 45.100 -0.053 0.000 0.642 612 G HN 0.754 nan 8.290 nan 0.000 0.536 613 S N -0.246 115.323 115.700 -0.218 0.000 2.507 613 S HA 0.355 4.825 4.470 -0.000 0.000 0.235 613 S C 2.466 176.957 174.600 -0.182 0.000 0.988 613 S CA 1.261 59.192 58.200 -0.447 0.000 0.944 613 S CB -0.123 62.672 63.200 -0.674 0.000 0.762 613 S HN 1.716 nan 8.310 nan 0.000 0.526 614 A N 1.661 124.419 122.820 -0.104 0.000 1.972 614 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 614 A C 0.999 178.547 177.584 -0.060 0.000 1.169 614 A CA 0.593 52.595 52.037 -0.058 0.000 0.635 614 A CB -0.531 18.446 19.000 -0.038 0.000 0.810 614 A HN 0.538 nan 8.150 nan 0.000 0.446 615 I N 0.097 120.613 120.570 -0.090 0.000 2.347 615 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 615 I C 1.407 177.413 176.117 -0.184 0.000 1.090 615 I CA 1.201 62.346 61.300 -0.259 0.000 1.314 615 I CB -0.474 37.296 38.000 -0.382 0.000 1.423 615 I HN 0.447 nan 8.210 nan 0.000 0.503 616 G N 5.022 113.706 108.800 -0.194 0.000 2.255 616 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.196 616 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.196 616 G C 0.387 175.314 174.900 0.044 0.000 0.998 616 G CA -0.089 44.996 45.100 -0.025 0.000 0.656 616 G HN 0.877 nan 8.290 nan 0.000 0.490 617 A N -0.091 122.739 122.820 0.017 0.000 2.327 617 A HA 0.903 5.223 4.320 -0.000 0.000 0.283 617 A C 0.292 177.804 177.584 -0.120 0.000 1.127 617 A CA 0.967 52.998 52.037 -0.009 0.000 0.810 617 A CB 1.393 20.394 19.000 0.002 0.000 1.066 617 A HN 1.446 nan 8.150 nan 0.000 0.492 618 T N 0.851 115.297 114.554 -0.178 0.000 2.749 618 T HA 0.356 4.706 4.350 -0.000 0.000 0.310 618 T C 0.557 175.109 174.700 -0.247 0.000 1.496 618 T CA -0.575 61.335 62.100 -0.316 0.000 1.006 618 T CB 0.754 69.248 68.868 -0.623 0.000 1.457 618 T HN 0.379 nan 8.240 nan 0.000 0.497 619 M N 1.012 120.324 119.600 -0.481 0.000 2.319 619 M HA 0.287 4.767 4.480 -0.000 0.000 0.265 619 M C 1.216 177.268 176.300 -0.413 0.000 1.068 619 M CA 1.182 56.099 55.300 -0.640 0.000 1.118 619 M CB -1.083 30.668 32.600 -1.416 0.000 1.395 619 M HN 0.824 nan 8.290 nan 0.000 0.435 620 G N -0.908 107.602 108.800 -0.484 0.000 2.489 620 G HA2 0.477 4.437 3.960 -0.000 0.000 0.291 620 G HA3 0.477 4.437 3.960 -0.000 0.000 0.291 620 G C -1.897 172.775 174.900 -0.381 0.000 1.487 620 G CA -0.853 44.120 45.100 -0.212 0.000 0.795 620 G HN 0.045 nan 8.290 nan 0.000 0.513 621 F N 0.111 120.034 119.950 -0.046 0.000 2.480 621 F HA 0.587 5.114 4.527 -0.000 0.000 0.329 621 F C 0.903 176.519 175.800 -0.305 0.000 1.091 621 F CA -0.735 57.104 58.000 -0.269 0.000 0.972 621 F CB 2.006 40.697 39.000 -0.515 0.000 1.150 621 F HN 0.574 nan 8.300 nan 0.000 0.467 622 C N 4.237 123.500 119.300 -0.062 0.000 2.452 622 C HA 0.611 5.071 4.460 -0.000 0.000 0.379 622 C C -0.756 174.144 174.990 -0.151 0.000 1.275 622 C CA -0.666 58.347 59.018 -0.009 0.000 2.056 622 C CB -1.129 26.647 27.740 0.060 0.000 2.506 622 C HN 0.695 nan 8.230 nan 0.000 0.560 623 Y N 3.482 123.849 120.300 0.112 0.000 2.429 623 Y HA 0.670 5.220 4.550 -0.000 0.000 0.342 623 Y C 0.473 176.375 175.900 0.004 0.000 1.004 623 Y CA -0.275 57.845 58.100 0.034 0.000 1.075 623 Y CB 1.868 40.258 38.460 -0.117 0.000 1.214 623 Y HN 0.983 nan 8.280 nan 0.000 0.455 624 A N 1.540 124.448 122.820 0.147 0.000 2.449 624 A HA 0.912 5.232 4.320 -0.000 0.000 0.302 624 A C -1.499 176.116 177.584 0.052 0.000 1.048 624 A CA -0.609 51.482 52.037 0.090 0.000 0.708 624 A CB 1.041 20.095 19.000 0.090 0.000 1.274 624 A HN 0.842 nan 8.150 nan 0.000 0.410 625 A N 1.806 124.645 122.820 0.032 0.000 2.342 625 A HA 0.784 5.104 4.320 -0.000 0.000 0.323 625 A C -0.541 177.071 177.584 0.046 0.000 1.125 625 A CA -0.497 51.544 52.037 0.005 0.000 0.785 625 A CB 0.949 19.921 19.000 -0.046 0.000 1.221 625 A HN 1.189 nan 8.150 nan 0.000 0.463 626 Q N 0.846 120.679 119.800 0.055 0.000 2.379 626 Q HA 0.742 5.082 4.340 -0.000 0.000 0.278 626 Q C -1.882 174.187 176.000 0.116 0.000 1.068 626 Q CA -0.888 54.986 55.803 0.118 0.000 0.816 626 Q CB 2.082 30.914 28.738 0.157 0.000 1.387 626 Q HN 0.379 nan 8.270 nan 0.000 0.413 627 V N 1.946 122.001 119.914 0.235 0.000 2.555 627 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 627 V C -0.634 175.724 176.094 0.439 0.000 1.038 627 V CA -0.653 61.835 62.300 0.313 0.000 0.887 627 V CB 1.869 33.903 31.823 0.351 0.000 0.991 627 V HN 0.689 nan 8.190 nan 0.000 0.434 628 V N 3.995 124.103 119.914 0.325 0.000 2.540 628 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 628 V C -0.254 176.030 176.094 0.316 0.000 1.035 628 V CA -0.638 61.805 62.300 0.239 0.000 0.873 628 V CB 1.905 33.666 31.823 -0.103 0.000 0.992 628 V HN 0.954 nan 8.190 nan 0.000 0.428 629 E N 3.083 123.506 120.200 0.371 0.000 2.151 629 E HA 0.775 5.125 4.350 -0.000 0.000 0.275 629 E C -0.691 176.069 176.600 0.266 0.000 0.936 629 E CA -0.392 56.222 56.400 0.358 0.000 0.777 629 E CB 1.720 31.721 29.700 0.500 0.000 1.108 629 E HN 0.906 nan 8.360 nan 0.000 0.401 630 A N 2.840 125.792 122.820 0.220 0.000 2.594 630 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 630 A C -1.086 176.605 177.584 0.178 0.000 1.105 630 A CA -0.574 51.548 52.037 0.141 0.000 0.694 630 A CB 1.824 20.854 19.000 0.050 0.000 1.291 630 A HN 0.640 nan 8.150 nan 0.000 0.410 631 S N -0.668 115.107 115.700 0.125 0.000 2.599 631 S HA 0.844 5.314 4.470 -0.000 0.000 0.287 631 S C -1.115 173.521 174.600 0.059 0.000 1.105 631 S CA -0.670 57.619 58.200 0.148 0.000 0.899 631 S CB 1.548 64.933 63.200 0.308 0.000 1.100 631 S HN 1.285 nan 8.310 nan 0.000 0.482 632 V N 1.758 121.697 119.914 0.041 0.000 2.588 632 V HA 0.466 4.586 4.120 -0.000 0.000 0.304 632 V C -1.005 175.098 176.094 0.014 0.000 1.042 632 V CA -0.689 61.618 62.300 0.013 0.000 0.877 632 V CB 1.801 33.619 31.823 -0.008 0.000 0.996 632 V HN 1.035 nan 8.190 nan 0.000 0.425 633 D N 3.188 123.594 120.400 0.010 0.000 2.347 633 D HA 0.193 4.833 4.640 -0.000 0.000 0.235 633 D C 0.897 177.195 176.300 -0.003 0.000 1.149 633 D CA -0.062 53.944 54.000 0.009 0.000 0.850 633 D CB 1.608 42.414 40.800 0.011 0.000 1.061 633 D HN 0.666 nan 8.370 nan 0.000 0.487 634 E N 2.851 123.047 120.200 -0.007 0.000 2.347 634 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 634 E C 1.739 178.332 176.600 -0.011 0.000 1.008 634 E CA 0.360 56.752 56.400 -0.013 0.000 0.852 634 E CB 0.482 30.172 29.700 -0.017 0.000 0.783 634 E HN 0.640 nan 8.360 nan 0.000 0.505 635 I N 0.816 121.382 120.570 -0.007 0.000 2.163 635 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 635 I C 2.630 178.743 176.117 -0.007 0.000 1.081 635 I CA 1.646 62.942 61.300 -0.007 0.000 1.353 635 I CB -0.330 37.668 38.000 -0.004 0.000 1.054 635 I HN 0.211 nan 8.210 nan 0.000 0.407 636 T N -2.669 111.881 114.554 -0.006 0.000 3.037 636 T HA 0.260 4.610 4.350 -0.000 0.000 0.251 636 T C 1.569 176.262 174.700 -0.011 0.000 1.079 636 T CA 0.538 62.633 62.100 -0.007 0.000 1.067 636 T CB 0.642 69.508 68.868 -0.004 0.000 0.948 636 T HN 0.529 nan 8.240 nan 0.000 0.496 637 G N 1.338 110.130 108.800 -0.012 0.000 2.179 637 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 637 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 637 G C 0.065 174.954 174.900 -0.017 0.000 0.977 637 G CA 0.239 45.328 45.100 -0.018 0.000 0.641 637 G HN 0.830 nan 8.290 nan 0.000 0.533 638 K N 1.026 121.419 120.400 -0.011 0.000 2.416 638 K HA 0.501 4.821 4.320 -0.000 0.000 0.283 638 K C 0.375 176.970 176.600 -0.008 0.000 1.037 638 K CA -0.153 56.128 56.287 -0.010 0.000 0.995 638 K CB 0.821 33.318 32.500 -0.005 0.000 0.938 638 K HN 0.224 nan 8.250 nan 0.000 0.475 639 V N 4.680 124.588 119.914 -0.010 0.000 2.439 639 V HA 0.333 4.453 4.120 -0.000 0.000 0.282 639 V C -0.162 175.918 176.094 -0.023 0.000 1.039 639 V CA -0.557 61.737 62.300 -0.009 0.000 0.913 639 V CB 1.623 33.449 31.823 0.005 0.000 0.983 639 V HN 0.860 nan 8.190 nan 0.000 0.460 640 T N 4.327 118.840 114.554 -0.069 0.000 2.809 640 T HA 0.611 4.961 4.350 -0.000 0.000 0.284 640 T C 0.007 174.533 174.700 -0.290 0.000 0.992 640 T CA -0.263 61.736 62.100 -0.167 0.000 0.957 640 T CB 1.450 70.184 68.868 -0.223 0.000 0.942 640 T HN 0.877 nan 8.240 nan 0.000 0.439 641 A N 2.960 125.694 122.820 -0.143 0.000 2.309 641 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 641 A C 0.816 178.305 177.584 -0.159 0.000 1.206 641 A CA -0.356 51.657 52.037 -0.039 0.000 0.850 641 A CB 0.137 19.293 19.000 0.260 0.000 1.118 641 A HN 0.975 nan 8.150 nan 0.000 0.523 642 H N 1.643 120.770 119.070 0.096 0.000 2.388 642 H HA 0.201 4.757 4.556 -0.000 0.000 0.304 642 H C 0.470 175.789 175.328 -0.015 0.000 1.049 642 H CA 1.221 57.299 56.048 0.050 0.000 1.371 642 H CB 0.432 30.229 29.762 0.059 0.000 1.436 642 H HN 0.689 nan 8.280 nan 0.000 0.544 643 K N 0.300 120.732 120.400 0.053 0.000 2.562 643 K HA 0.431 4.751 4.320 -0.000 0.000 0.267 643 K C -1.884 174.522 176.600 -0.323 0.000 0.938 643 K CA -0.446 55.691 56.287 -0.251 0.000 0.840 643 K CB 2.571 34.739 32.500 -0.552 0.000 1.390 643 K HN -0.174 nan 8.250 nan 0.000 0.428 644 V N 2.711 122.401 119.914 -0.374 0.000 2.656 644 V HA 0.547 4.667 4.120 -0.000 0.000 0.307 644 V C -1.015 174.902 176.094 -0.294 0.000 1.051 644 V CA -0.720 61.503 62.300 -0.129 0.000 0.893 644 V CB 1.630 33.532 31.823 0.133 0.000 0.999 644 V HN 0.652 nan 8.190 nan 0.000 0.426 645 W N 3.714 125.091 121.300 0.128 0.000 2.417 645 W HA 0.714 5.374 4.660 -0.000 0.000 0.315 645 W C -0.787 175.782 176.519 0.085 0.000 1.045 645 W CA -0.640 56.764 57.345 0.098 0.000 1.221 645 W CB 2.005 31.519 29.460 0.091 0.000 1.309 645 W HN 0.417 nan 8.180 nan 0.000 0.453 646 V N 3.560 123.612 119.914 0.231 0.000 2.577 646 V HA 0.802 4.922 4.120 -0.000 0.000 0.303 646 V C -0.880 175.290 176.094 0.127 0.000 1.042 646 V CA -0.513 61.885 62.300 0.164 0.000 0.872 646 V CB 1.459 33.364 31.823 0.137 0.000 0.998 646 V HN 0.529 nan 8.190 nan 0.000 0.423 647 A N 5.765 128.645 122.820 0.099 0.000 2.288 647 A HA 0.812 5.132 4.320 -0.000 0.000 0.320 647 A C -0.850 176.771 177.584 0.061 0.000 1.217 647 A CA -0.474 51.605 52.037 0.071 0.000 0.840 647 A CB 1.614 20.641 19.000 0.045 0.000 1.179 647 A HN 1.473 nan 8.150 nan 0.000 0.504 648 V N 2.881 122.833 119.914 0.064 0.000 2.448 648 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 648 V C -1.097 175.042 176.094 0.074 0.000 1.025 648 V CA -0.591 61.753 62.300 0.074 0.000 0.859 648 V CB 1.707 33.575 31.823 0.075 0.000 0.988 648 V HN 0.943 nan 8.190 nan 0.000 0.431 649 D N 4.921 125.381 120.400 0.100 0.000 2.411 649 D HA 0.229 4.869 4.640 -0.000 0.000 0.225 649 D C 0.542 176.920 176.300 0.131 0.000 1.156 649 D CA 0.032 54.100 54.000 0.114 0.000 0.874 649 D CB 1.457 42.349 40.800 0.154 0.000 1.034 649 D HN 0.481 nan 8.370 nan 0.000 0.502 650 V N 1.937 121.910 119.914 0.099 0.000 3.271 650 V HA 0.516 4.636 4.120 -0.000 0.000 0.327 650 V C 1.469 177.618 176.094 0.091 0.000 1.389 650 V CA 0.405 62.761 62.300 0.092 0.000 1.156 650 V CB -0.139 31.724 31.823 0.066 0.000 1.103 650 V HN 0.677 nan 8.190 nan 0.000 0.453 651 G N 1.478 110.341 108.800 0.106 0.000 4.236 651 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.222 651 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.222 651 G C 0.288 175.227 174.900 0.065 0.000 1.354 651 G CA 0.931 46.089 45.100 0.097 0.000 0.966 651 G HN 1.139 nan 8.290 nan 0.000 0.624 652 K N 0.146 120.575 120.400 0.049 0.000 2.589 652 K HA 0.707 5.027 4.320 -0.000 0.000 0.253 652 K C -0.416 176.198 176.600 0.024 0.000 0.974 652 K CA 0.518 56.827 56.287 0.036 0.000 0.835 652 K CB 1.256 33.783 32.500 0.045 0.000 1.272 652 K HN 1.301 nan 8.250 nan 0.000 0.444 653 A N 5.738 128.566 122.820 0.015 0.000 2.395 653 A HA 0.320 4.640 4.320 -0.000 0.000 0.286 653 A C 0.707 178.282 177.584 -0.016 0.000 1.193 653 A CA -0.395 51.646 52.037 0.006 0.000 0.852 653 A CB -0.346 18.658 19.000 0.007 0.000 1.118 653 A HN 0.865 nan 8.150 nan 0.000 0.524 654 L N 1.566 122.777 121.223 -0.020 0.000 2.056 654 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 654 L C 0.992 177.829 176.870 -0.056 0.000 1.078 654 L CA 0.861 55.672 54.840 -0.047 0.000 0.749 654 L CB -0.158 41.879 42.059 -0.036 0.000 0.901 654 L HN 0.749 nan 8.230 nan 0.000 0.433 655 N N -0.723 117.956 118.700 -0.035 0.000 2.664 655 N HA 0.196 4.936 4.740 -0.000 0.000 0.257 655 N C -2.178 173.321 175.510 -0.018 0.000 1.108 655 N CA -1.964 51.067 53.050 -0.033 0.000 0.822 655 N CB 1.515 39.984 38.487 -0.029 0.000 1.199 655 N HN -0.250 nan 8.380 nan 0.000 0.529 656 P HA -0.136 nan 4.420 nan 0.000 0.217 656 P C 1.565 178.864 177.300 -0.001 0.000 1.148 656 P CA 0.528 63.624 63.100 -0.005 0.000 0.828 656 P CB 0.460 32.156 31.700 -0.007 0.000 0.783 657 L N -0.230 120.989 121.223 -0.007 0.000 2.017 657 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 657 L C 2.207 179.077 176.870 -0.000 0.000 1.073 657 L CA 2.215 57.052 54.840 -0.005 0.000 0.745 657 L CB -1.526 40.527 42.059 -0.010 0.000 0.894 657 L HN -0.108 nan 8.230 nan 0.000 0.432 658 A N -1.263 121.556 122.820 -0.001 0.000 1.930 658 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 658 A C 2.255 179.847 177.584 0.012 0.000 1.175 658 A CA 1.660 53.699 52.037 0.005 0.000 0.627 658 A CB -1.042 17.958 19.000 -0.000 0.000 0.815 658 A HN 0.305 nan 8.150 nan 0.000 0.443 659 V N 0.244 120.165 119.914 0.012 0.000 2.332 659 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 659 V C 2.424 178.534 176.094 0.027 0.000 1.055 659 V CA 2.412 64.725 62.300 0.022 0.000 1.038 659 V CB -0.838 30.999 31.823 0.022 0.000 0.651 659 V HN 0.651 nan 8.190 nan 0.000 0.450 660 E N 0.143 120.356 120.200 0.021 0.000 2.051 660 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 660 E C 2.335 178.947 176.600 0.020 0.000 0.991 660 E CA 1.293 57.706 56.400 0.022 0.000 0.799 660 E CB -0.539 29.169 29.700 0.014 0.000 0.748 660 E HN 0.645 nan 8.360 nan 0.000 0.449 661 G N 0.848 109.656 108.800 0.014 0.000 2.418 661 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 661 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 661 G C 1.520 176.438 174.900 0.030 0.000 1.158 661 G CA 0.357 45.464 45.100 0.011 0.000 0.771 661 G HN 0.081 nan 8.290 nan 0.000 0.545 662 Q N 0.174 119.998 119.800 0.040 0.000 2.084 662 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 662 Q C 2.805 178.844 176.000 0.065 0.000 0.978 662 Q CA 1.685 57.524 55.803 0.059 0.000 0.844 662 Q CB -0.811 27.957 28.738 0.050 0.000 0.898 662 Q HN 0.423 nan 8.270 nan 0.000 0.426 663 T N 1.511 116.097 114.554 0.054 0.000 2.821 663 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 663 T C 1.897 176.636 174.700 0.066 0.000 1.046 663 T CA 1.206 63.343 62.100 0.061 0.000 1.139 663 T CB -0.048 68.855 68.868 0.058 0.000 0.871 663 T HN 0.327 nan 8.240 nan 0.000 0.454 664 Q N 0.234 120.064 119.800 0.051 0.000 2.079 664 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 664 Q C 2.749 178.798 176.000 0.081 0.000 0.974 664 Q CA 1.301 57.133 55.803 0.048 0.000 0.840 664 Q CB -0.412 28.328 28.738 0.005 0.000 0.898 664 Q HN 0.574 nan 8.270 nan 0.000 0.430 665 G N 0.300 109.145 108.800 0.074 0.000 2.422 665 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 665 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 665 G C 1.310 176.316 174.900 0.176 0.000 1.146 665 G CA 0.796 45.973 45.100 0.128 0.000 0.769 665 G HN 0.468 nan 8.290 nan 0.000 0.547 666 G N 0.388 109.258 108.800 0.115 0.000 2.404 666 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.215 666 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.215 666 G C 1.782 176.706 174.900 0.040 0.000 1.174 666 G CA 1.118 46.260 45.100 0.070 0.000 0.780 666 G HN 0.288 nan 8.290 nan 0.000 0.537 667 V N -0.227 119.725 119.914 0.064 0.000 2.287 667 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 667 V C 2.273 178.304 176.094 -0.105 0.000 1.053 667 V CA 2.026 64.349 62.300 0.038 0.000 1.027 667 V CB -0.582 31.302 31.823 0.102 0.000 0.646 667 V HN 0.647 nan 8.190 nan 0.000 0.447 668 W N -0.000 121.174 121.300 -0.210 0.000 2.358 668 W HA -0.255 4.405 4.660 -0.000 0.000 0.303 668 W C 2.496 178.847 176.519 -0.281 0.000 1.208 668 W CA 2.275 59.454 57.345 -0.276 0.000 1.274 668 W CB -0.159 29.194 29.460 -0.179 0.000 1.138 668 W HN 0.224 nan 8.180 nan 0.000 0.515 669 M N 0.300 119.775 119.600 -0.207 0.000 2.159 669 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 669 M C 2.130 178.173 176.300 -0.429 0.000 1.063 669 M CA 2.389 57.425 55.300 -0.440 0.000 1.110 669 M CB -0.795 31.682 32.600 -0.206 0.000 1.374 669 M HN 0.103 nan 8.290 nan 0.000 0.411 670 G N 0.591 109.205 108.800 -0.310 0.000 2.422 670 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 670 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 670 G C 1.507 176.188 174.900 -0.366 0.000 1.146 670 G CA 0.871 45.837 45.100 -0.224 0.000 0.769 670 G HN 0.497 nan 8.290 nan 0.000 0.547 671 M N 1.580 120.657 119.600 -0.871 0.000 2.117 671 M HA -0.025 4.455 4.480 -0.000 0.000 0.262 671 M C 2.539 178.508 176.300 -0.552 0.000 1.065 671 M CA 2.026 56.651 55.300 -1.125 0.000 1.114 671 M CB -0.952 30.808 32.600 -1.402 0.000 1.361 671 M HN 0.222 nan 8.290 nan 0.000 0.408 672 G N 0.042 108.428 108.800 -0.690 0.000 2.446 672 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 672 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 672 G C 1.335 176.073 174.900 -0.270 0.000 1.168 672 G CA 1.024 45.806 45.100 -0.531 0.000 0.771 672 G HN 0.690 nan 8.290 nan 0.000 0.551 673 Q N 0.113 119.789 119.800 -0.206 0.000 2.119 673 Q HA 0.050 4.390 4.340 -0.000 0.000 0.201 673 Q C 2.747 178.796 176.000 0.081 0.000 0.972 673 Q CA 1.410 57.181 55.803 -0.052 0.000 0.847 673 Q CB -0.290 28.419 28.738 -0.048 0.000 0.903 673 Q HN 0.408 nan 8.270 nan 0.000 0.433 674 A N 0.274 123.168 122.820 0.124 0.000 1.930 674 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 674 A C 1.779 179.545 177.584 0.304 0.000 1.175 674 A CA 1.133 53.399 52.037 0.381 0.000 0.627 674 A CB -0.162 19.175 19.000 0.561 0.000 0.815 674 A HN 0.451 nan 8.150 nan 0.000 0.443 675 L N -1.758 119.541 121.223 0.127 0.000 2.685 675 L HA 0.115 4.455 4.340 -0.000 0.000 0.235 675 L C 1.912 178.773 176.870 -0.014 0.000 1.070 675 L CA 1.027 55.906 54.840 0.064 0.000 0.888 675 L CB 0.401 42.492 42.059 0.052 0.000 1.203 675 L HN 0.505 nan 8.230 nan 0.000 0.499 676 S N -2.841 112.814 115.700 -0.076 0.000 2.617 676 S HA 0.177 4.647 4.470 -0.000 0.000 0.278 676 S C 0.332 174.802 174.600 -0.216 0.000 1.082 676 S CA -0.537 57.589 58.200 -0.124 0.000 1.228 676 S CB 0.429 63.551 63.200 -0.130 0.000 1.130 676 S HN 0.141 nan 8.310 nan 0.000 0.621 677 E N 2.311 122.356 120.200 -0.258 0.000 2.259 677 E HA 0.507 4.857 4.350 -0.000 0.000 0.281 677 E C -0.490 175.953 176.600 -0.262 0.000 1.027 677 E CA -0.169 55.956 56.400 -0.459 0.000 0.838 677 E CB 0.763 30.236 29.700 -0.380 0.000 1.066 677 E HN 0.666 nan 8.360 nan 0.000 0.401 678 E N 0.763 120.765 120.200 -0.330 0.000 2.422 678 E HA 0.197 4.547 4.350 -0.000 0.000 0.289 678 E C -1.096 175.456 176.600 -0.080 0.000 0.985 678 E CA -0.916 55.447 56.400 -0.061 0.000 0.812 678 E CB 0.928 30.619 29.700 -0.015 0.000 1.226 678 E HN 0.412 nan 8.360 nan 0.000 0.419 679 T N -0.577 113.909 114.554 -0.114 0.000 2.882 679 T HA 0.616 4.966 4.350 -0.000 0.000 0.287 679 T C 0.016 174.501 174.700 -0.357 0.000 1.014 679 T CA -0.567 61.138 62.100 -0.659 0.000 1.049 679 T CB 1.241 69.613 68.868 -0.826 0.000 1.001 679 T HN 0.355 nan 8.240 nan 0.000 0.525 680 V N 2.118 121.818 119.914 -0.358 0.000 2.668 680 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 680 V C -1.488 174.405 176.094 -0.335 0.000 1.071 680 V CA -1.017 61.172 62.300 -0.186 0.000 0.894 680 V CB 1.291 33.076 31.823 -0.063 0.000 1.008 680 V HN 0.956 nan 8.190 nan 0.000 0.425 681 Y N 1.746 122.093 120.300 0.079 0.000 2.509 681 Y HA 0.717 5.267 4.550 0.000 0.000 0.341 681 Y C -0.174 175.739 175.900 0.021 0.000 1.038 681 Y CA -0.807 57.326 58.100 0.055 0.000 1.089 681 Y CB 2.051 40.538 38.460 0.044 0.000 1.241 681 Y HN 0.644 nan 8.280 nan 0.000 0.468 682 D N 1.890 122.389 120.400 0.165 0.000 2.402 682 D HA 0.126 4.766 4.640 -0.000 0.000 0.252 682 D C -0.484 175.861 176.300 0.075 0.000 1.294 682 D CA -0.397 53.654 54.000 0.084 0.000 0.948 682 D CB 0.232 41.057 40.800 0.042 0.000 1.202 682 D HN 0.695 nan 8.370 nan 0.000 0.561 683 N N 3.483 122.217 118.700 0.056 0.000 2.714 683 N HA -0.293 4.447 4.740 -0.000 0.000 0.252 683 N C 0.908 176.436 175.510 0.032 0.000 1.014 683 N CA 0.977 54.042 53.050 0.025 0.000 0.735 683 N CB -0.876 37.618 38.487 0.011 0.000 0.924 683 N HN 0.859 nan 8.380 nan 0.000 0.540 684 G N -0.466 108.370 108.800 0.060 0.000 2.241 684 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.244 684 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.244 684 G C 0.119 175.106 174.900 0.145 0.000 0.998 684 G CA 0.449 45.584 45.100 0.059 0.000 0.621 684 G HN 0.536 nan 8.290 nan 0.000 0.519 685 R N 0.458 121.041 120.500 0.138 0.000 2.340 685 R HA 0.524 4.864 4.340 -0.000 0.000 0.300 685 R C 0.701 177.105 176.300 0.173 0.000 1.069 685 R CA -0.372 55.800 56.100 0.120 0.000 0.984 685 R CB 0.908 31.235 30.300 0.045 0.000 1.003 685 R HN 0.411 nan 8.270 nan 0.000 0.459 686 M N 3.694 123.365 119.600 0.118 0.000 2.188 686 M HA 0.049 4.529 4.480 -0.000 0.000 0.354 686 M C 0.009 176.182 176.300 -0.212 0.000 1.342 686 M CA 0.060 55.302 55.300 -0.097 0.000 1.117 686 M CB 1.007 33.510 32.600 -0.162 0.000 1.670 686 M HN 0.459 nan 8.290 nan 0.000 0.466 687 V N 4.408 124.176 119.914 -0.242 0.000 3.431 687 V HA -0.048 4.072 4.120 -0.000 0.000 0.253 687 V C 1.664 177.633 176.094 -0.208 0.000 1.184 687 V CA 0.772 62.975 62.300 -0.161 0.000 1.104 687 V CB -0.813 30.965 31.823 -0.075 0.000 0.799 687 V HN 0.950 nan 8.190 nan 0.000 0.462 688 H N -0.087 118.808 119.070 -0.291 0.000 2.519 688 H HA 0.256 4.812 4.556 -0.000 0.000 0.289 688 H C 1.444 176.422 175.328 -0.583 0.000 1.040 688 H CA 0.384 56.237 56.048 -0.325 0.000 1.165 688 H CB -0.086 29.512 29.762 -0.272 0.000 1.462 688 H HN 0.316 nan 8.280 nan 0.000 0.555 689 G N 1.849 110.148 108.800 -0.834 0.000 3.324 689 G HA2 0.005 3.965 3.960 -0.000 0.000 0.232 689 G HA3 0.005 3.965 3.960 -0.000 0.000 0.232 689 G C -0.256 174.458 174.900 -0.311 0.000 1.213 689 G CA -0.045 44.611 45.100 -0.740 0.000 1.637 689 G HN 0.712 nan 8.290 nan 0.000 0.572 690 N N -1.870 116.660 118.700 -0.283 0.000 2.927 690 N HA 0.285 5.025 4.740 -0.000 0.000 0.248 690 N C 0.049 175.704 175.510 0.241 0.000 1.443 690 N CA -1.040 52.076 53.050 0.109 0.000 0.870 690 N CB 0.603 39.115 38.487 0.043 0.000 1.444 690 N HN -0.122 nan 8.380 nan 0.000 0.519 691 I N 0.042 120.788 120.570 0.293 0.000 3.855 691 I HA 0.181 4.351 4.170 -0.000 0.000 0.327 691 I C 0.571 176.800 176.117 0.186 0.000 1.359 691 I CA -0.044 61.445 61.300 0.314 0.000 1.142 691 I CB -0.255 37.906 38.000 0.268 0.000 1.041 691 I HN 0.446 nan 8.210 nan 0.000 0.403 692 L N 0.830 122.127 121.223 0.124 0.000 2.262 692 L HA 0.197 4.537 4.340 -0.000 0.000 0.197 692 L C 1.534 178.433 176.870 0.048 0.000 1.073 692 L CA 1.890 56.772 54.840 0.070 0.000 0.800 692 L CB -0.150 41.936 42.059 0.046 0.000 0.987 692 L HN 0.005 nan 8.230 nan 0.000 0.470 693 D N -1.613 118.810 120.400 0.039 0.000 2.348 693 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 693 D C -0.323 175.991 176.300 0.023 0.000 0.998 693 D CA 0.423 54.429 54.000 0.011 0.000 0.873 693 D CB 0.097 40.892 40.800 -0.010 0.000 0.925 693 D HN 0.273 nan 8.370 nan 0.000 0.524 694 Y N 1.676 121.966 120.300 -0.015 0.000 2.434 694 Y HA 0.284 4.834 4.550 -0.000 0.000 0.341 694 Y C -0.033 175.906 175.900 0.065 0.000 0.965 694 Y CA -0.859 57.251 58.100 0.016 0.000 1.205 694 Y CB 0.294 38.791 38.460 0.062 0.000 1.121 694 Y HN -0.352 nan 8.280 nan 0.000 0.507 695 R N 5.492 125.771 120.500 -0.367 0.000 3.710 695 R HA 0.213 4.553 4.340 -0.000 0.000 0.201 695 R C -0.653 175.547 176.300 -0.167 0.000 1.641 695 R CA -0.355 55.633 56.100 -0.187 0.000 1.390 695 R CB -0.166 30.039 30.300 -0.159 0.000 1.341 695 R HN 0.397 nan 8.270 nan 0.000 0.728 696 V N 4.073 123.995 119.914 0.013 0.000 2.599 696 V HA 0.017 4.137 4.120 -0.000 0.000 0.300 696 V C -1.651 174.487 176.094 0.072 0.000 1.034 696 V CA -1.134 61.207 62.300 0.069 0.000 1.115 696 V CB 0.487 32.449 31.823 0.231 0.000 0.934 696 V HN 0.420 nan 8.190 nan 0.000 0.485 697 P HA 0.136 nan 4.420 nan 0.000 0.266 697 P C 0.109 177.576 177.300 0.278 0.000 1.195 697 P CA 0.087 63.263 63.100 0.127 0.000 0.768 697 P CB 0.308 32.046 31.700 0.064 0.000 0.838 698 T N -0.333 114.319 114.554 0.163 0.000 2.824 698 T HA 0.250 4.600 4.350 -0.000 0.000 0.277 698 T C 1.207 175.980 174.700 0.122 0.000 0.975 698 T CA -0.690 61.486 62.100 0.127 0.000 0.966 698 T CB 0.390 69.300 68.868 0.071 0.000 1.054 698 T HN 0.316 nan 8.240 nan 0.000 0.533 699 I N 0.851 121.453 120.570 0.054 0.000 2.567 699 I HA -0.094 4.076 4.170 -0.000 0.000 0.257 699 I C 1.880 178.018 176.117 0.034 0.000 1.184 699 I CA 0.991 62.301 61.300 0.017 0.000 1.451 699 I CB -0.119 37.865 38.000 -0.027 0.000 1.089 699 I HN 0.573 nan 8.210 nan 0.000 0.441 700 V N 1.940 121.878 119.914 0.041 0.000 2.307 700 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 700 V C 2.434 178.555 176.094 0.044 0.000 1.045 700 V CA 2.150 64.472 62.300 0.036 0.000 1.024 700 V CB -0.817 31.025 31.823 0.031 0.000 0.651 700 V HN 0.600 nan 8.190 nan 0.000 0.449 701 E N 0.164 120.394 120.200 0.051 0.000 2.474 701 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 701 E C 0.798 177.434 176.600 0.059 0.000 1.041 701 E CA 0.104 56.529 56.400 0.041 0.000 0.874 701 E CB 0.038 29.753 29.700 0.025 0.000 0.914 701 E HN 0.478 nan 8.360 nan 0.000 0.498 702 S N 4.026 119.789 115.700 0.105 0.000 2.549 702 S HA 0.213 4.683 4.470 -0.000 0.000 0.279 702 S C -2.005 172.654 174.600 0.097 0.000 1.321 702 S CA -0.868 57.429 58.200 0.162 0.000 1.054 702 S CB 0.778 64.135 63.200 0.263 0.000 0.899 702 S HN 0.271 nan 8.310 nan 0.000 0.497 703 P HA 0.195 nan 4.420 nan 0.000 0.274 703 P C -0.602 176.713 177.300 0.024 0.000 1.237 703 P CA -0.473 62.665 63.100 0.062 0.000 0.793 703 P CB 0.510 32.268 31.700 0.097 0.000 0.977 704 D N 0.557 120.944 120.400 -0.020 0.000 2.339 704 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 704 D C -0.531 175.703 176.300 -0.110 0.000 1.115 704 D CA -0.011 53.951 54.000 -0.064 0.000 0.917 704 D CB 0.151 40.898 40.800 -0.089 0.000 1.192 704 D HN 0.197 nan 8.370 nan 0.000 0.428 705 I N 2.085 122.596 120.570 -0.098 0.000 2.512 705 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 705 I C -0.370 175.692 176.117 -0.092 0.000 1.069 705 I CA -0.743 60.500 61.300 -0.095 0.000 1.056 705 I CB 1.985 39.979 38.000 -0.011 0.000 1.229 705 I HN 0.339 nan 8.210 nan 0.000 0.429 706 E N 6.304 126.423 120.200 -0.134 0.000 2.134 706 E HA 0.530 4.880 4.350 -0.000 0.000 0.278 706 E C -1.518 175.105 176.600 0.039 0.000 0.959 706 E CA -0.582 55.791 56.400 -0.044 0.000 0.783 706 E CB 1.686 31.357 29.700 -0.048 0.000 1.095 706 E HN 0.358 nan 8.360 nan 0.000 0.399 707 V N 6.395 126.339 119.914 0.050 0.000 2.435 707 V HA 0.390 4.510 4.120 -0.000 0.000 0.290 707 V C 0.004 176.142 176.094 0.075 0.000 1.030 707 V CA -0.599 61.740 62.300 0.066 0.000 0.881 707 V CB 1.345 33.197 31.823 0.048 0.000 0.983 707 V HN 0.650 nan 8.190 nan 0.000 0.445 708 I N 5.549 126.170 120.570 0.084 0.000 2.406 708 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 708 I C -0.393 175.758 176.117 0.057 0.000 0.999 708 I CA -0.302 61.042 61.300 0.073 0.000 1.124 708 I CB 1.778 39.829 38.000 0.084 0.000 1.289 708 I HN 0.421 nan 8.210 nan 0.000 0.441 709 I N 6.643 127.241 120.570 0.046 0.000 2.331 709 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 709 I C -0.420 175.718 176.117 0.036 0.000 0.998 709 I CA -0.651 60.673 61.300 0.041 0.000 1.267 709 I CB 1.480 39.500 38.000 0.033 0.000 1.386 709 I HN 0.202 nan 8.210 nan 0.000 0.476 710 V N 6.343 126.280 119.914 0.038 0.000 2.459 710 V HA 0.296 4.416 4.120 -0.000 0.000 0.295 710 V C -0.185 175.934 176.094 0.042 0.000 1.029 710 V CA -0.597 61.722 62.300 0.031 0.000 0.874 710 V CB 1.766 33.602 31.823 0.020 0.000 0.985 710 V HN 0.688 nan 8.190 nan 0.000 0.438 711 E N 2.252 122.475 120.200 0.037 0.000 2.489 711 E HA 0.176 4.526 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 56.335 56.400 0.046 0.000 0.768 711 E CB 1.158 30.880 29.700 0.036 0.000 1.270 711 E HN 0.816 nan 8.360 nan 0.000 0.423 712 S N 2.477 118.220 115.700 0.071 0.000 2.515 712 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 712 S C 1.012 175.664 174.600 0.087 0.000 0.987 712 S CA -0.086 58.163 58.200 0.081 0.000 0.936 712 S CB -0.149 63.118 63.200 0.113 0.000 0.766 712 S HN 0.541 nan 8.310 nan 0.000 0.528 713 M N 2.210 121.858 119.600 0.081 0.000 3.844 713 M HA -0.117 4.363 4.480 -0.000 0.000 0.160 713 M C -0.461 175.889 176.300 0.084 0.000 1.495 713 M CA 0.333 55.675 55.300 0.070 0.000 1.034 713 M CB -2.160 30.474 32.600 0.056 0.000 1.329 713 M HN 0.576 nan 8.290 nan 0.000 0.375 714 D N 5.438 125.895 120.400 0.095 0.000 2.390 714 D HA 0.180 4.820 4.640 -0.000 0.000 0.249 714 D C -1.174 175.170 176.300 0.074 0.000 1.144 714 D CA -1.030 53.045 54.000 0.125 0.000 0.880 714 D CB 1.327 42.240 40.800 0.188 0.000 1.182 714 D HN 0.298 nan 8.370 nan 0.000 0.451 715 P HA -0.094 nan 4.420 nan 0.000 0.222 715 P C 0.169 177.482 177.300 0.022 0.000 1.147 715 P CA 1.081 64.216 63.100 0.059 0.000 0.790 715 P CB 0.339 32.094 31.700 0.093 0.000 0.780 716 N N -1.009 117.718 118.700 0.044 0.000 2.250 716 N HA 0.135 4.875 4.740 -0.000 0.000 0.190 716 N C 1.130 176.491 175.510 -0.250 0.000 1.116 716 N CA -0.102 52.953 53.050 0.009 0.000 0.881 716 N CB 0.179 38.722 38.487 0.095 0.000 1.006 716 N HN 0.071 nan 8.380 nan 0.000 0.491 717 G N 1.613 110.181 108.800 -0.388 0.000 2.572 717 G HA2 0.229 4.189 3.960 -0.000 0.000 0.261 717 G HA3 0.229 4.189 3.960 -0.000 0.000 0.261 717 G C -2.464 172.023 174.900 -0.687 0.000 1.197 717 G CA -1.002 43.462 45.100 -1.061 0.000 0.870 717 G HN -0.089 nan 8.290 nan 0.000 0.548 718 P HA 0.100 nan 4.420 nan 0.000 0.269 718 P C -0.338 176.837 177.300 -0.207 0.000 1.252 718 P CA 0.060 62.886 63.100 -0.456 0.000 0.780 718 P CB 0.031 31.520 31.700 -0.353 0.000 0.829 719 F N 3.045 122.883 119.950 -0.188 0.000 3.069 719 F HA -0.235 4.292 4.527 -0.000 0.000 0.285 719 F C 1.542 177.276 175.800 -0.110 0.000 0.827 719 F CA 1.697 59.622 58.000 -0.125 0.000 1.108 719 F CB -2.460 36.478 39.000 -0.103 0.000 1.252 719 F HN 0.646 nan 8.300 nan 0.000 0.483 720 G N -1.513 107.250 108.800 -0.062 0.000 2.175 720 G HA2 0.095 4.055 3.960 -0.000 0.000 0.244 720 G HA3 0.095 4.055 3.960 -0.000 0.000 0.244 720 G C 0.356 175.238 174.900 -0.029 0.000 0.982 720 G CA -0.029 45.051 45.100 -0.034 0.000 0.641 720 G HN 1.525 nan 8.290 nan 0.000 0.527 721 A N -0.052 122.720 122.820 -0.080 0.000 2.407 721 A HA 0.704 5.024 4.320 -0.000 0.000 0.248 721 A C 0.596 178.168 177.584 -0.020 0.000 1.082 721 A CA 0.799 52.806 52.037 -0.049 0.000 0.785 721 A CB 0.527 19.489 19.000 -0.063 0.000 1.020 721 A HN 0.455 nan 8.150 nan 0.000 0.489 722 K N -0.133 120.325 120.400 0.096 0.000 2.261 722 K HA 0.401 4.721 4.320 -0.000 0.000 0.242 722 K C -0.266 176.415 176.600 0.136 0.000 1.083 722 K CA -0.677 55.735 56.287 0.209 0.000 0.880 722 K CB 1.020 33.632 32.500 0.188 0.000 1.353 722 K HN 0.883 nan 8.250 nan 0.000 0.486 723 E N -0.340 119.932 120.200 0.121 0.000 2.397 723 E HA 0.319 4.669 4.350 -0.000 0.000 0.254 723 E C -0.493 176.151 176.600 0.074 0.000 1.231 723 E CA -0.337 56.114 56.400 0.084 0.000 0.954 723 E CB 0.730 30.477 29.700 0.079 0.000 1.024 723 E HN 0.535 nan 8.360 nan 0.000 0.481 724 A N 0.508 123.365 122.820 0.061 0.000 2.579 724 A HA 0.274 4.594 4.320 -0.000 0.000 0.254 724 A C 0.473 178.089 177.584 0.053 0.000 0.873 724 A CA 0.133 52.204 52.037 0.057 0.000 1.106 724 A CB -0.390 18.638 19.000 0.046 0.000 1.222 724 A HN 0.644 nan 8.150 nan 0.000 0.470 725 S N -1.957 113.774 115.700 0.052 0.000 2.684 725 S HA 0.215 4.685 4.470 -0.000 0.000 0.268 725 S C 0.724 175.331 174.600 0.011 0.000 1.075 725 S CA 0.445 58.670 58.200 0.042 0.000 1.184 725 S CB 0.014 63.238 63.200 0.040 0.000 1.129 725 S HN 0.309 nan 8.310 nan 0.000 0.630 726 E N 0.910 121.104 120.200 -0.010 0.000 2.474 726 E HA 0.234 4.584 4.350 -0.000 0.000 0.215 726 E C 1.747 178.304 176.600 -0.072 0.000 0.867 726 E CA 0.408 56.722 56.400 -0.143 0.000 1.135 726 E CB 0.124 29.559 29.700 -0.441 0.000 1.147 726 E HN 0.526 nan 8.360 nan 0.000 0.534 727 G N 2.031 110.872 108.800 0.069 0.000 2.559 727 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 727 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 727 G C 1.579 176.526 174.900 0.078 0.000 1.126 727 G CA 0.688 45.855 45.100 0.112 0.000 0.778 727 G HN 0.146 nan 8.290 nan 0.000 0.543 728 M N -0.297 119.336 119.600 0.055 0.000 2.382 728 M HA 0.386 4.866 4.480 -0.000 0.000 0.247 728 M C 1.807 178.144 176.300 0.060 0.000 1.104 728 M CA 0.312 55.653 55.300 0.069 0.000 1.030 728 M CB -0.649 31.999 32.600 0.079 0.000 1.424 728 M HN 0.151 nan 8.290 nan 0.000 0.486 729 L N 1.706 122.937 121.223 0.012 0.000 2.027 729 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 729 L C 2.613 179.491 176.870 0.014 0.000 1.074 729 L CA 1.673 56.509 54.840 -0.007 0.000 0.745 729 L CB -0.367 41.646 42.059 -0.077 0.000 0.898 729 L HN 0.367 nan 8.230 nan 0.000 0.433 730 A N -0.253 122.560 122.820 -0.012 0.000 1.972 730 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 730 A C 2.244 179.844 177.584 0.027 0.000 1.169 730 A CA 1.395 53.417 52.037 -0.026 0.000 0.635 730 A CB -1.388 17.582 19.000 -0.051 0.000 0.810 730 A HN 0.559 nan 8.150 nan 0.000 0.446 731 G N -1.590 107.253 108.800 0.070 0.000 2.470 731 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 731 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 731 G C 1.351 176.319 174.900 0.113 0.000 1.121 731 G CA 0.972 46.123 45.100 0.084 0.000 0.766 731 G HN 0.499 nan 8.290 nan 0.000 0.553 732 F N 0.715 120.681 119.950 0.026 0.000 2.134 732 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 732 F C 2.347 178.194 175.800 0.079 0.000 1.097 732 F CA 0.884 58.916 58.000 0.052 0.000 1.264 732 F CB -0.045 38.970 39.000 0.025 0.000 1.001 732 F HN 0.052 nan 8.300 nan 0.000 0.479 733 L N 1.106 122.449 121.223 0.199 0.000 1.970 733 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 733 L C -0.436 176.542 176.870 0.180 0.000 1.071 733 L CA 2.347 57.272 54.840 0.142 0.000 0.751 733 L CB -2.288 39.630 42.059 -0.236 0.000 0.889 733 L HN 0.100 nan 8.230 nan 0.000 0.432 734 P HA -0.120 nan 4.420 nan 0.000 0.219 734 P C 1.345 178.724 177.300 0.131 0.000 1.150 734 P CA 1.782 64.949 63.100 0.113 0.000 0.814 734 P CB 0.040 31.752 31.700 0.019 0.000 0.787 735 A N 0.402 123.240 122.820 0.029 0.000 1.877 735 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 735 A C 2.303 179.870 177.584 -0.028 0.000 1.186 735 A CA 1.365 53.403 52.037 0.003 0.000 0.620 735 A CB -1.657 17.302 19.000 -0.069 0.000 0.822 735 A HN 0.191 nan 8.150 nan 0.000 0.443 736 I N -1.414 119.035 120.570 -0.202 0.000 2.676 736 I HA -0.193 3.977 4.170 -0.000 0.000 0.259 736 I C 2.387 178.548 176.117 0.073 0.000 1.194 736 I CA 1.259 62.470 61.300 -0.147 0.000 1.473 736 I CB -0.222 37.584 38.000 -0.324 0.000 1.096 736 I HN 0.574 nan 8.210 nan 0.000 0.443 737 H N 0.999 120.121 119.070 0.085 0.000 2.321 737 H HA -0.257 4.299 4.556 -0.000 0.000 0.300 737 H C 1.980 177.380 175.328 0.120 0.000 1.087 737 H CA 2.249 58.370 56.048 0.122 0.000 1.319 737 H CB 0.055 29.952 29.762 0.226 0.000 1.379 737 H HN 0.522 nan 8.280 nan 0.000 0.501 738 E N 0.216 120.580 120.200 0.274 0.000 2.072 738 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 738 E C 2.381 179.092 176.600 0.185 0.000 0.985 738 E CA 0.927 57.474 56.400 0.245 0.000 0.801 738 E CB -0.133 29.721 29.700 0.257 0.000 0.750 738 E HN 0.501 nan 8.360 nan 0.000 0.452 739 A N 0.592 123.491 122.820 0.133 0.000 1.940 739 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 739 A C 2.385 179.998 177.584 0.048 0.000 1.176 739 A CA 1.500 53.592 52.037 0.092 0.000 0.631 739 A CB -0.637 18.411 19.000 0.079 0.000 0.814 739 A HN 0.247 nan 8.150 nan 0.000 0.446 740 V N -1.537 118.392 119.914 0.025 0.000 2.427 740 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 740 V C 2.316 178.398 176.094 -0.019 0.000 1.051 740 V CA 1.959 64.248 62.300 -0.018 0.000 1.048 740 V CB -0.932 30.854 31.823 -0.062 0.000 0.666 740 V HN 0.737 nan 8.190 nan 0.000 0.456 741 Y N 1.380 121.611 120.300 -0.115 0.000 2.200 741 Y HA -0.240 4.310 4.550 -0.000 0.000 0.290 741 Y C 2.606 178.477 175.900 -0.047 0.000 1.137 741 Y CA 2.236 60.280 58.100 -0.094 0.000 1.163 741 Y CB -0.215 38.195 38.460 -0.083 0.000 0.988 741 Y HN 0.410 nan 8.280 nan 0.000 0.518 742 E N -0.009 120.120 120.200 -0.118 0.000 2.110 742 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 742 E C 2.226 178.716 176.600 -0.183 0.000 0.988 742 E CA 1.103 57.387 56.400 -0.192 0.000 0.804 742 E CB -0.312 29.354 29.700 -0.058 0.000 0.745 742 E HN 0.542 nan 8.360 nan 0.000 0.458 743 A N 0.519 123.272 122.820 -0.110 0.000 1.873 743 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 743 A C 2.117 179.636 177.584 -0.108 0.000 1.186 743 A CA 1.991 53.980 52.037 -0.081 0.000 0.616 743 A CB -0.210 18.771 19.000 -0.032 0.000 0.823 743 A HN 0.419 nan 8.150 nan 0.000 0.442 744 V N -5.770 114.065 119.914 -0.131 0.000 3.382 744 V HA 0.596 4.716 4.120 -0.000 0.000 0.296 744 V C 1.071 177.072 176.094 -0.155 0.000 1.529 744 V CA 0.583 62.810 62.300 -0.120 0.000 1.048 744 V CB -0.536 31.244 31.823 -0.073 0.000 0.878 744 V HN 1.659 nan 8.190 nan 0.000 0.442 745 G N 1.222 109.852 108.800 -0.283 0.000 2.153 745 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.252 745 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.252 745 G C 0.120 175.008 174.900 -0.019 0.000 0.994 745 G CA 0.692 45.591 45.100 -0.335 0.000 0.698 745 G HN 1.893 nan 8.290 nan 0.000 0.521 746 V N -3.507 116.432 119.914 0.041 0.000 2.769 746 V HA 0.856 4.976 4.120 -0.000 0.000 0.312 746 V C 0.278 176.432 176.094 0.100 0.000 1.058 746 V CA -1.718 60.630 62.300 0.078 0.000 0.952 746 V CB 1.842 33.658 31.823 -0.011 0.000 1.019 746 V HN 0.224 nan 8.190 nan 0.000 0.445 747 R N 2.608 123.125 120.500 0.028 0.000 2.215 747 R HA 0.658 4.998 4.340 -0.000 0.000 0.337 747 R C -0.223 176.025 176.300 -0.086 0.000 1.010 747 R CA -0.245 55.804 56.100 -0.085 0.000 0.871 747 R CB 1.641 31.925 30.300 -0.028 0.000 1.134 747 R HN 1.011 nan 8.270 nan 0.000 0.477 748 A N 2.257 124.945 122.820 -0.220 0.000 2.391 748 A HA 0.155 4.475 4.320 -0.000 0.000 0.316 748 A C 1.244 178.822 177.584 -0.009 0.000 1.381 748 A CA -0.487 51.460 52.037 -0.150 0.000 0.998 748 A CB 0.225 19.070 19.000 -0.258 0.000 1.147 748 A HN 0.775 nan 8.150 nan 0.000 0.545 749 T N -1.018 113.522 114.554 -0.023 0.000 3.100 749 T HA 0.095 4.445 4.350 -0.000 0.000 0.253 749 T C -0.007 174.623 174.700 -0.117 0.000 1.118 749 T CA 0.397 62.501 62.100 0.007 0.000 1.058 749 T CB -0.114 68.638 68.868 -0.193 0.000 0.953 749 T HN 0.501 nan 8.240 nan 0.000 0.515 750 D N 0.921 121.177 120.400 -0.239 0.000 2.391 750 D HA 0.447 5.087 4.640 -0.000 0.000 0.245 750 D C -1.175 174.939 176.300 -0.311 0.000 1.069 750 D CA -0.456 53.423 54.000 -0.202 0.000 0.831 750 D CB 1.430 42.180 40.800 -0.083 0.000 1.204 750 D HN 0.189 nan 8.370 nan 0.000 0.503 751 F N 2.288 122.119 119.950 -0.198 0.000 2.458 751 F HA 0.346 4.873 4.527 -0.000 0.000 0.330 751 F C -1.697 174.101 175.800 -0.002 0.000 1.082 751 F CA -1.988 55.973 58.000 -0.065 0.000 0.995 751 F CB 1.401 40.389 39.000 -0.021 0.000 1.170 751 F HN 0.032 nan 8.300 nan 0.000 0.478 752 P HA 0.128 nan 4.420 nan 0.000 0.274 752 P C -0.393 176.905 177.300 -0.003 0.000 1.237 752 P CA -0.229 62.966 63.100 0.158 0.000 0.793 752 P CB 1.063 32.809 31.700 0.077 0.000 0.977 753 L N 1.062 122.268 121.223 -0.028 0.000 2.672 753 L HA 0.091 4.431 4.340 -0.000 0.000 0.238 753 L C 1.197 178.042 176.870 -0.042 0.000 1.392 753 L CA -0.215 54.561 54.840 -0.107 0.000 1.238 753 L CB -1.112 40.881 42.059 -0.110 0.000 1.548 753 L HN 0.373 nan 8.230 nan 0.000 0.423 754 S N -0.891 114.788 115.700 -0.036 0.000 2.600 754 S HA 0.266 4.736 4.470 -0.000 0.000 0.265 754 S C -1.671 172.909 174.600 -0.034 0.000 1.325 754 S CA -1.177 57.005 58.200 -0.030 0.000 1.002 754 S CB 0.765 63.947 63.200 -0.031 0.000 0.921 754 S HN 0.088 nan 8.310 nan 0.000 0.554 755 P HA -0.158 nan 4.420 nan 0.000 0.217 755 P C 1.025 178.309 177.300 -0.027 0.000 1.148 755 P CA 1.476 64.561 63.100 -0.025 0.000 0.828 755 P CB -0.154 31.534 31.700 -0.020 0.000 0.783 756 D N -0.288 120.097 120.400 -0.025 0.000 2.117 756 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 756 D C 1.801 178.085 176.300 -0.027 0.000 0.987 756 D CA 1.322 55.308 54.000 -0.023 0.000 0.829 756 D CB -0.962 39.827 40.800 -0.018 0.000 0.961 756 D HN 0.180 nan 8.370 nan 0.000 0.460 757 R N -0.107 120.372 120.500 -0.036 0.000 2.090 757 R HA 0.031 4.371 4.340 -0.000 0.000 0.228 757 R C 2.456 178.723 176.300 -0.054 0.000 1.110 757 R CA 0.563 56.635 56.100 -0.048 0.000 0.973 757 R CB -0.129 30.131 30.300 -0.067 0.000 0.869 757 R HN 0.223 nan 8.270 nan 0.000 0.440 758 I N 1.291 121.829 120.570 -0.055 0.000 2.252 758 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 758 I C 2.595 178.687 176.117 -0.040 0.000 1.102 758 I CA 1.868 63.136 61.300 -0.054 0.000 1.385 758 I CB -1.528 36.443 38.000 -0.048 0.000 1.064 758 I HN 0.292 nan 8.210 nan 0.000 0.414 759 T N -1.460 113.075 114.554 -0.032 0.000 2.788 759 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 759 T C 1.657 176.342 174.700 -0.025 0.000 1.044 759 T CA 1.114 63.199 62.100 -0.026 0.000 1.139 759 T CB -0.472 68.384 68.868 -0.020 0.000 0.867 759 T HN 0.393 nan 8.240 nan 0.000 0.454 760 E N 1.157 121.341 120.200 -0.026 0.000 2.077 760 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 760 E C 2.228 178.812 176.600 -0.026 0.000 0.989 760 E CA 1.128 57.514 56.400 -0.023 0.000 0.800 760 E CB -0.382 29.304 29.700 -0.023 0.000 0.746 760 E HN 0.483 nan 8.360 nan 0.000 0.452 761 L N 0.604 121.807 121.223 -0.033 0.000 2.056 761 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 761 L C 2.438 179.292 176.870 -0.026 0.000 1.078 761 L CA 0.818 55.639 54.840 -0.033 0.000 0.749 761 L CB -0.295 41.738 42.059 -0.044 0.000 0.901 761 L HN 0.153 nan 8.230 nan 0.000 0.433 762 L N -0.587 120.619 121.223 -0.028 0.000 2.093 762 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 762 L C 2.165 179.023 176.870 -0.020 0.000 1.085 762 L CA 0.976 55.801 54.840 -0.025 0.000 0.755 762 L CB -0.567 41.476 42.059 -0.027 0.000 0.904 762 L HN 0.274 nan 8.230 nan 0.000 0.435 763 D N 0.147 120.536 120.400 -0.019 0.000 2.144 763 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 763 D C 2.217 178.509 176.300 -0.014 0.000 0.978 763 D CA 1.405 55.396 54.000 -0.016 0.000 0.833 763 D CB 0.018 40.810 40.800 -0.014 0.000 0.961 763 D HN 0.297 nan 8.370 nan 0.000 0.470 764 A N 0.906 123.717 122.820 -0.015 0.000 1.898 764 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 764 A C 2.067 179.645 177.584 -0.011 0.000 1.181 764 A CA 1.488 53.518 52.037 -0.013 0.000 0.620 764 A CB -0.400 18.592 19.000 -0.015 0.000 0.819 764 A HN 0.134 nan 8.150 nan 0.000 0.442 765 K N -0.201 120.192 120.400 -0.012 0.000 2.009 765 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 765 K C 1.907 178.501 176.600 -0.010 0.000 1.049 765 K CA 1.969 58.251 56.287 -0.009 0.000 0.929 765 K CB -0.195 32.298 32.500 -0.011 0.000 0.714 765 K HN 0.464 nan 8.250 nan 0.000 0.440 766 E N 0.112 120.305 120.200 -0.013 0.000 2.110 766 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 766 E C 1.819 178.413 176.600 -0.010 0.000 0.988 766 E CA 1.329 57.721 56.400 -0.013 0.000 0.804 766 E CB -0.169 29.523 29.700 -0.014 0.000 0.745 766 E HN 0.457 nan 8.360 nan 0.000 0.458 767 A N 1.152 123.966 122.820 -0.010 0.000 1.908 767 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 767 A C 1.571 179.150 177.584 -0.007 0.000 1.181 767 A CA 1.368 53.400 52.037 -0.008 0.000 0.627 767 A CB -0.693 18.302 19.000 -0.008 0.000 0.818 767 A HN 0.302 nan 8.150 nan 0.000 0.445 768 A N 0.000 122.816 122.820 -0.007 0.000 2.254 768 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 768 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 768 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 768 A HN 0.000 nan 8.150 nan 0.000 0.486