REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sb3_1_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 0.000 174.827 174.900 -0.122 0.000 0.946 9 G CA 0.000 45.031 45.100 -0.114 0.000 0.502 10 T N -2.840 111.621 114.554 -0.154 0.000 3.026 10 T HA 0.262 4.612 4.350 0.000 0.000 0.245 10 T C 1.061 175.658 174.700 -0.173 0.000 1.004 10 T CA 0.596 62.610 62.100 -0.142 0.000 1.069 10 T CB 0.032 68.823 68.868 -0.128 0.000 1.005 10 T HN 0.623 nan 8.240 nan 0.000 0.472 11 V N 2.628 122.381 119.914 -0.268 0.000 2.585 11 V HA 0.459 4.579 4.120 0.000 0.000 0.296 11 V C 1.763 177.727 176.094 -0.217 0.000 1.035 11 V CA 1.285 63.396 62.300 -0.314 0.000 1.084 11 V CB 0.084 31.516 31.823 -0.653 0.000 0.953 11 V HN 0.987 nan 8.190 nan 0.000 0.483 12 G N 3.789 112.500 108.800 -0.148 0.000 2.199 12 G HA2 -0.208 3.752 3.960 0.000 0.000 0.254 12 G HA3 -0.208 3.752 3.960 0.000 0.000 0.254 12 G C 0.099 174.954 174.900 -0.075 0.000 0.982 12 G CA 0.064 45.106 45.100 -0.097 0.000 0.632 12 G HN 0.776 nan 8.290 nan 0.000 0.529 13 V N 1.758 121.622 119.914 -0.083 0.000 2.546 13 V HA 0.395 4.515 4.120 0.000 0.000 0.284 13 V C 1.173 177.238 176.094 -0.049 0.000 1.050 13 V CA -0.656 61.607 62.300 -0.063 0.000 0.981 13 V CB 1.342 33.123 31.823 -0.070 0.000 0.990 13 V HN 0.374 nan 8.190 nan 0.000 0.474 14 R N 2.962 123.441 120.500 -0.036 0.000 2.399 14 R HA 0.282 4.622 4.340 0.000 0.000 0.324 14 R C -0.337 175.946 176.300 -0.028 0.000 1.030 14 R CA 0.132 56.216 56.100 -0.027 0.000 0.984 14 R CB -0.021 30.267 30.300 -0.019 0.000 0.961 14 R HN 0.700 nan 8.270 nan 0.000 0.433 15 T N 5.578 120.116 114.554 -0.028 0.000 2.815 15 T HA 0.274 4.624 4.350 0.000 0.000 0.289 15 T C -2.352 172.336 174.700 -0.020 0.000 1.000 15 T CA -1.780 60.303 62.100 -0.028 0.000 0.958 15 T CB 1.919 70.765 68.868 -0.037 0.000 0.944 15 T HN 0.248 nan 8.240 nan 0.000 0.442 16 P HA 0.115 nan 4.420 nan 0.000 0.266 16 P C -0.041 177.256 177.300 -0.006 0.000 1.195 16 P CA -0.367 62.727 63.100 -0.009 0.000 0.768 16 P CB 0.422 32.117 31.700 -0.009 0.000 0.838 17 L N 2.674 123.899 121.223 0.002 0.000 2.525 17 L HA -0.043 4.297 4.340 0.000 0.000 0.278 17 L C 1.959 178.835 176.870 0.010 0.000 1.218 17 L CA -0.208 54.636 54.840 0.006 0.000 0.878 17 L CB 0.250 42.322 42.059 0.020 0.000 1.127 17 L HN 0.322 nan 8.230 nan 0.000 0.492 18 V N -1.043 118.873 119.914 0.002 0.000 3.026 18 V HA -0.174 3.946 4.120 0.000 0.000 0.265 18 V C 1.134 177.245 176.094 0.028 0.000 1.121 18 V CA 1.693 63.995 62.300 0.003 0.000 1.142 18 V CB -0.808 31.006 31.823 -0.014 0.000 0.730 18 V HN 1.009 nan 8.190 nan 0.000 0.503 19 D N -0.314 120.122 120.400 0.059 0.000 2.440 19 D HA 0.215 4.855 4.640 0.000 0.000 0.216 19 D C 1.789 178.164 176.300 0.125 0.000 1.150 19 D CA 0.518 54.600 54.000 0.136 0.000 0.832 19 D CB 0.038 40.972 40.800 0.223 0.000 0.992 19 D HN 0.377 nan 8.370 nan 0.000 0.502 20 G N 0.780 109.619 108.800 0.064 0.000 2.422 20 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 20 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 20 G C 1.558 176.464 174.900 0.010 0.000 1.140 20 G CA 0.859 45.983 45.100 0.039 0.000 0.775 20 G HN 0.247 nan 8.290 nan 0.000 0.545 21 V N 1.031 120.949 119.914 0.006 0.000 2.282 21 V HA -0.209 3.911 4.120 0.000 0.000 0.249 21 V C 2.779 178.850 176.094 -0.039 0.000 1.057 21 V CA 2.392 64.684 62.300 -0.012 0.000 1.032 21 V CB -0.534 31.285 31.823 -0.007 0.000 0.645 21 V HN 0.340 nan 8.190 nan 0.000 0.447 22 E N 0.030 120.196 120.200 -0.057 0.000 2.204 22 E HA -0.171 4.179 4.350 0.000 0.000 0.195 22 E C 2.142 178.615 176.600 -0.213 0.000 0.990 22 E CA 0.973 57.281 56.400 -0.153 0.000 0.821 22 E CB -0.289 29.271 29.700 -0.234 0.000 0.750 22 E HN 0.598 nan 8.360 nan 0.000 0.477 23 K N 0.038 120.347 120.400 -0.152 0.000 2.062 23 K HA -0.049 4.271 4.320 0.000 0.000 0.205 23 K C 2.027 178.600 176.600 -0.045 0.000 1.051 23 K CA 1.379 57.609 56.287 -0.094 0.000 0.941 23 K CB -0.080 32.418 32.500 -0.002 0.000 0.719 23 K HN 0.195 nan 8.250 nan 0.000 0.440 24 V N -0.676 119.216 119.914 -0.036 0.000 3.306 24 V HA -0.041 4.079 4.120 0.000 0.000 0.264 24 V C 1.700 177.776 176.094 -0.030 0.000 1.149 24 V CA 1.562 63.846 62.300 -0.026 0.000 1.143 24 V CB -0.673 31.139 31.823 -0.018 0.000 0.767 24 V HN 0.324 nan 8.190 nan 0.000 0.476 25 T N -3.852 110.676 114.554 -0.043 0.000 3.040 25 T HA 0.445 4.795 4.350 0.000 0.000 0.250 25 T C 1.695 176.369 174.700 -0.043 0.000 1.058 25 T CA 0.751 62.827 62.100 -0.040 0.000 0.988 25 T CB 0.439 69.282 68.868 -0.042 0.000 0.993 25 T HN 1.461 nan 8.240 nan 0.000 0.519 26 G N 1.865 110.633 108.800 -0.052 0.000 2.148 26 G HA2 -0.305 3.656 3.960 0.000 0.000 0.254 26 G HA3 -0.305 3.656 3.960 0.000 0.000 0.254 26 G C 0.767 175.629 174.900 -0.063 0.000 0.981 26 G CA 0.527 45.603 45.100 -0.041 0.000 0.670 26 G HN 0.552 nan 8.290 nan 0.000 0.528 27 K N 0.206 120.544 120.400 -0.103 0.000 2.305 27 K HA 0.426 4.747 4.320 0.000 0.000 0.199 27 K C 1.713 178.183 176.600 -0.217 0.000 1.047 27 K CA 0.586 56.803 56.287 -0.117 0.000 0.976 27 K CB 0.127 32.570 32.500 -0.096 0.000 0.765 27 K HN 0.642 nan 8.250 nan 0.000 0.474 28 A N 2.423 124.995 122.820 -0.413 0.000 2.524 28 A HA 0.027 4.347 4.320 0.000 0.000 0.250 28 A C -0.278 177.005 177.584 -0.502 0.000 1.078 28 A CA 0.228 51.702 52.037 -0.939 0.000 0.761 28 A CB 0.193 18.176 19.000 -1.695 0.000 1.012 28 A HN -0.025 nan 8.150 nan 0.000 0.500 29 K N 2.947 123.165 120.400 -0.303 0.000 2.253 29 K HA 0.346 4.667 4.320 0.000 0.000 0.277 29 K C -1.086 175.483 176.600 -0.051 0.000 1.053 29 K CA 0.054 56.307 56.287 -0.057 0.000 0.892 29 K CB 0.810 33.321 32.500 0.019 0.000 1.102 29 K HN 0.644 nan 8.250 nan 0.000 0.469 30 Y N 0.253 120.593 120.300 0.067 0.000 2.408 30 Y HA 0.055 4.605 4.550 0.000 0.000 0.324 30 Y C 2.247 178.184 175.900 0.062 0.000 1.302 30 Y CA -0.270 57.889 58.100 0.097 0.000 1.384 30 Y CB 0.428 38.925 38.460 0.062 0.000 1.367 30 Y HN 0.559 nan 8.280 nan 0.000 0.525 31 T N 0.595 115.270 114.554 0.202 0.000 2.620 31 T HA -0.318 4.032 4.350 0.000 0.000 0.267 31 T C 1.850 176.609 174.700 0.098 0.000 1.044 31 T CA 2.186 64.356 62.100 0.117 0.000 1.161 31 T CB -0.580 68.346 68.868 0.097 0.000 0.862 31 T HN 0.739 nan 8.240 nan 0.000 0.438 32 A N 1.158 124.038 122.820 0.101 0.000 2.209 32 A HA -0.031 4.289 4.320 0.000 0.000 0.212 32 A C 1.709 179.333 177.584 0.067 0.000 1.158 32 A CA 1.009 53.085 52.037 0.065 0.000 0.742 32 A CB -0.209 18.815 19.000 0.040 0.000 0.790 32 A HN 0.384 nan 8.150 nan 0.000 0.472 33 D N -0.346 120.112 120.400 0.097 0.000 2.354 33 D HA 0.129 4.770 4.640 0.000 0.000 0.209 33 D C 0.413 176.747 176.300 0.057 0.000 1.015 33 D CA 0.129 54.177 54.000 0.080 0.000 0.867 33 D CB 0.061 40.928 40.800 0.112 0.000 0.933 33 D HN 0.439 nan 8.370 nan 0.000 0.520 34 I N 1.848 122.453 120.570 0.057 0.000 2.587 34 I HA 0.055 4.225 4.170 0.000 0.000 0.284 34 I C 0.775 176.911 176.117 0.032 0.000 1.134 34 I CA -0.428 60.897 61.300 0.042 0.000 1.410 34 I CB 0.722 38.747 38.000 0.041 0.000 1.392 34 I HN -0.136 nan 8.210 nan 0.000 0.545 35 A N 5.940 128.775 122.820 0.025 0.000 2.477 35 A HA 0.630 4.950 4.320 0.000 0.000 0.246 35 A C 0.334 177.929 177.584 0.019 0.000 1.078 35 A CA -0.088 51.961 52.037 0.020 0.000 0.770 35 A CB 0.265 19.274 19.000 0.016 0.000 1.011 35 A HN 0.930 nan 8.150 nan 0.000 0.494 36 A N 4.159 126.990 122.820 0.019 0.000 2.893 36 A HA 0.597 4.918 4.320 0.000 0.000 0.298 36 A C -1.945 175.650 177.584 0.018 0.000 1.227 36 A CA -0.695 51.353 52.037 0.018 0.000 0.845 36 A CB 0.356 19.369 19.000 0.022 0.000 1.430 36 A HN 0.498 nan 8.150 nan 0.000 0.493 37 P HA -0.132 nan 4.420 nan 0.000 0.217 37 P C 0.517 177.826 177.300 0.015 0.000 1.148 37 P CA 1.329 64.437 63.100 0.014 0.000 0.828 37 P CB 0.343 32.049 31.700 0.011 0.000 0.783 38 D N -1.185 119.225 120.400 0.016 0.000 2.349 38 D HA 0.121 4.762 4.640 0.000 0.000 0.224 38 D C 0.606 176.919 176.300 0.023 0.000 1.029 38 D CA 0.135 54.146 54.000 0.018 0.000 0.879 38 D CB -0.536 40.274 40.800 0.017 0.000 0.906 38 D HN 0.080 nan 8.370 nan 0.000 0.528 39 A N 0.681 123.515 122.820 0.023 0.000 2.520 39 A HA 0.257 4.577 4.320 0.000 0.000 0.245 39 A C 0.385 177.985 177.584 0.027 0.000 1.072 39 A CA -0.025 52.028 52.037 0.027 0.000 0.761 39 A CB 0.053 19.070 19.000 0.027 0.000 1.004 39 A HN 0.206 nan 8.150 nan 0.000 0.499 40 L N 2.374 123.615 121.223 0.030 0.000 2.439 40 L HA 0.364 4.705 4.340 0.000 0.000 0.259 40 L C -0.026 176.862 176.870 0.029 0.000 1.129 40 L CA -0.798 54.059 54.840 0.028 0.000 0.803 40 L CB 1.150 43.227 42.059 0.030 0.000 1.161 40 L HN 0.407 nan 8.230 nan 0.000 0.462 41 V N 0.905 120.835 119.914 0.027 0.000 2.406 41 V HA 0.418 4.539 4.120 0.000 0.000 0.272 41 V C 0.621 176.734 176.094 0.032 0.000 1.043 41 V CA -0.369 61.948 62.300 0.027 0.000 0.915 41 V CB 1.120 32.957 31.823 0.023 0.000 0.988 41 V HN 0.849 nan 8.190 nan 0.000 0.466 42 G N 5.188 114.010 108.800 0.037 0.000 2.389 42 G HA2 0.727 4.687 3.960 0.000 0.000 0.328 42 G HA3 0.727 4.687 3.960 0.000 0.000 0.328 42 G C -0.664 174.265 174.900 0.048 0.000 1.133 42 G CA -0.569 44.558 45.100 0.045 0.000 0.891 42 G HN 0.466 nan 8.290 nan 0.000 0.485 43 R N 0.541 121.073 120.500 0.053 0.000 2.668 43 R HA 0.408 4.749 4.340 0.000 0.000 0.272 43 R C -1.113 175.229 176.300 0.070 0.000 1.019 43 R CA -0.759 55.375 56.100 0.056 0.000 0.894 43 R CB 2.139 32.465 30.300 0.043 0.000 1.228 43 R HN 0.502 nan 8.270 nan 0.000 0.460 44 I N 2.466 123.088 120.570 0.086 0.000 2.412 44 I HA 0.291 4.462 4.170 0.000 0.000 0.296 44 I C -0.096 176.066 176.117 0.075 0.000 0.987 44 I CA -1.143 60.215 61.300 0.097 0.000 1.180 44 I CB 1.755 39.844 38.000 0.150 0.000 1.340 44 I HN 0.247 nan 8.210 nan 0.000 0.455 45 L N 7.551 128.812 121.223 0.063 0.000 2.278 45 L HA 0.407 4.748 4.340 0.000 0.000 0.287 45 L C -0.238 176.663 176.870 0.052 0.000 1.072 45 L CA 0.277 55.149 54.840 0.053 0.000 0.819 45 L CB 0.046 42.133 42.059 0.048 0.000 1.176 45 L HN 0.502 nan 8.230 nan 0.000 0.435 46 R N 3.023 123.547 120.500 0.041 0.000 2.604 46 R HA 0.404 4.744 4.340 0.000 0.000 0.287 46 R C -0.222 176.073 176.300 -0.008 0.000 0.970 46 R CA -0.788 55.318 56.100 0.011 0.000 0.946 46 R CB 1.706 32.017 30.300 0.018 0.000 1.127 46 R HN 0.709 nan 8.270 nan 0.000 0.473 47 S N 2.845 118.515 115.700 -0.051 0.000 2.525 47 S HA 0.064 4.535 4.470 0.000 0.000 0.285 47 S C -1.374 173.106 174.600 -0.199 0.000 1.283 47 S CA -1.160 56.985 58.200 -0.092 0.000 1.072 47 S CB 0.541 63.666 63.200 -0.124 0.000 0.867 47 S HN 0.470 nan 8.310 nan 0.000 0.492 48 P HA 0.113 nan 4.420 nan 0.000 0.245 48 P C -0.601 176.336 177.300 -0.605 0.000 1.206 48 P CA 0.394 63.230 63.100 -0.440 0.000 0.781 48 P CB -0.011 31.396 31.700 -0.487 0.000 0.994 49 H N -1.181 117.721 119.070 -0.281 0.000 2.529 49 H HA 0.543 5.100 4.556 0.000 0.000 0.348 49 H C 1.247 176.489 175.328 -0.144 0.000 1.152 49 H CA -0.462 55.445 56.048 -0.234 0.000 1.202 49 H CB 1.629 31.178 29.762 -0.355 0.000 1.562 49 H HN -0.206 nan 8.280 nan 0.000 0.515 50 A N 1.396 124.242 122.820 0.043 0.000 1.968 50 A HA -0.071 4.249 4.320 0.000 0.000 0.217 50 A C 0.230 177.852 177.584 0.064 0.000 1.169 50 A CA 1.429 53.488 52.037 0.036 0.000 0.638 50 A CB -0.094 18.913 19.000 0.012 0.000 0.812 50 A HN 0.673 nan 8.150 nan 0.000 0.446 51 H N -1.961 117.073 119.070 -0.060 0.000 3.128 51 H HA 0.639 5.195 4.556 0.000 0.000 0.336 51 H C -0.964 174.306 175.328 -0.098 0.000 1.026 51 H CA -0.520 55.477 56.048 -0.085 0.000 1.376 51 H CB 1.076 30.758 29.762 -0.134 0.000 1.882 51 H HN 0.501 nan 8.280 nan 0.000 0.479 52 A N 4.414 127.256 122.820 0.036 0.000 2.583 52 A HA 0.583 4.903 4.320 0.000 0.000 0.292 52 A C -1.191 176.402 177.584 0.015 0.000 1.045 52 A CA -0.914 51.072 52.037 -0.084 0.000 0.672 52 A CB 1.378 20.288 19.000 -0.151 0.000 1.283 52 A HN 0.572 nan 8.150 nan 0.000 0.419 53 R N 0.306 120.804 120.500 -0.003 0.000 2.457 53 R HA 0.592 4.932 4.340 0.000 0.000 0.284 53 R C -0.870 175.488 176.300 0.098 0.000 1.024 53 R CA -0.436 55.680 56.100 0.026 0.000 1.025 53 R CB 1.159 31.445 30.300 -0.024 0.000 1.063 53 R HN 0.600 nan 8.270 nan 0.000 0.493 54 I N 4.013 124.620 120.570 0.062 0.000 2.304 54 I HA 0.034 4.204 4.170 0.000 0.000 0.291 54 I C 1.230 177.311 176.117 -0.060 0.000 1.018 54 I CA -0.056 61.235 61.300 -0.016 0.000 1.260 54 I CB 1.073 39.051 38.000 -0.037 0.000 1.390 54 I HN 0.527 nan 8.210 nan 0.000 0.475 55 L N 6.005 127.174 121.223 -0.089 0.000 2.168 55 L HA 0.374 4.714 4.340 0.000 0.000 0.203 55 L C 0.896 177.716 176.870 -0.084 0.000 1.078 55 L CA 0.367 55.164 54.840 -0.071 0.000 0.780 55 L CB -0.125 41.899 42.059 -0.058 0.000 0.939 55 L HN 0.702 nan 8.230 nan 0.000 0.451 56 A N -0.350 122.398 122.820 -0.120 0.000 2.610 56 A HA 0.717 5.037 4.320 0.000 0.000 0.291 56 A C -1.667 175.832 177.584 -0.141 0.000 1.086 56 A CA -0.335 51.639 52.037 -0.105 0.000 0.677 56 A CB 2.100 21.053 19.000 -0.079 0.000 1.278 56 A HN 0.013 nan 8.150 nan 0.000 0.414 57 I N 0.801 121.307 120.570 -0.107 0.000 2.610 57 I HA 0.534 4.704 4.170 0.000 0.000 0.289 57 I C -2.153 173.922 176.117 -0.070 0.000 1.163 57 I CA -0.181 61.054 61.300 -0.107 0.000 1.044 57 I CB 1.972 39.909 38.000 -0.104 0.000 1.251 57 I HN 0.688 nan 8.210 nan 0.000 0.424 58 D N 4.157 124.521 120.400 -0.060 0.000 2.481 58 D HA 0.355 4.995 4.640 0.000 0.000 0.246 58 D C 0.401 176.683 176.300 -0.030 0.000 1.109 58 D CA -0.244 53.732 54.000 -0.040 0.000 0.845 58 D CB 1.724 42.503 40.800 -0.035 0.000 1.160 58 D HN 0.563 nan 8.370 nan 0.000 0.534 59 T N -0.392 114.148 114.554 -0.024 0.000 3.054 59 T HA 0.043 4.393 4.350 0.000 0.000 0.255 59 T C 1.697 176.390 174.700 -0.010 0.000 1.035 59 T CA 0.467 62.558 62.100 -0.015 0.000 0.941 59 T CB -0.127 68.733 68.868 -0.014 0.000 1.026 59 T HN 0.241 nan 8.240 nan 0.000 0.533 60 S N 2.251 117.944 115.700 -0.012 0.000 2.383 60 S HA -0.042 4.428 4.470 0.000 0.000 0.229 60 S C 2.368 176.965 174.600 -0.005 0.000 1.030 60 S CA 0.860 59.056 58.200 -0.008 0.000 1.002 60 S CB -0.909 62.286 63.200 -0.009 0.000 0.829 60 S HN 0.680 nan 8.310 nan 0.000 0.467 61 A N 1.810 124.627 122.820 -0.005 0.000 1.968 61 A HA 0.431 4.752 4.320 0.000 0.000 0.217 61 A C 2.505 180.089 177.584 0.001 0.000 1.169 61 A CA 1.477 53.513 52.037 -0.002 0.000 0.638 61 A CB -1.318 17.681 19.000 -0.001 0.000 0.812 61 A HN 0.865 nan 8.150 nan 0.000 0.446 62 A N -0.039 122.782 122.820 0.000 0.000 1.898 62 A HA -0.127 4.194 4.320 0.000 0.000 0.216 62 A C 1.868 179.454 177.584 0.004 0.000 1.181 62 A CA 1.485 53.523 52.037 0.003 0.000 0.620 62 A CB -0.460 18.542 19.000 0.004 0.000 0.819 62 A HN 0.603 nan 8.150 nan 0.000 0.442 63 E N -0.370 119.831 120.200 0.001 0.000 2.268 63 E HA -0.037 4.313 4.350 0.000 0.000 0.195 63 E C 1.922 178.523 176.600 0.003 0.000 0.995 63 E CA 0.726 57.127 56.400 0.002 0.000 0.836 63 E CB -0.165 29.535 29.700 -0.001 0.000 0.763 63 E HN 0.621 nan 8.360 nan 0.000 0.491 64 A N 0.787 123.608 122.820 0.002 0.000 2.178 64 A HA 0.051 4.371 4.320 0.000 0.000 0.211 64 A C 0.932 178.518 177.584 0.004 0.000 1.157 64 A CA -0.223 51.815 52.037 0.003 0.000 0.780 64 A CB 0.010 19.011 19.000 0.001 0.000 0.828 64 A HN 0.149 nan 8.150 nan 0.000 0.476 65 L N 1.100 122.326 121.223 0.005 0.000 2.455 65 L HA 0.141 4.481 4.340 0.000 0.000 0.272 65 L C 0.501 177.375 176.870 0.007 0.000 1.174 65 L CA 0.015 54.859 54.840 0.006 0.000 0.869 65 L CB 0.051 42.115 42.059 0.007 0.000 1.130 65 L HN 0.398 nan 8.230 nan 0.000 0.474 66 E N 4.000 124.204 120.200 0.007 0.000 2.417 66 E HA 0.299 4.649 4.350 0.000 0.000 0.261 66 E C 0.916 177.521 176.600 0.009 0.000 1.000 66 E CA 0.907 57.311 56.400 0.008 0.000 0.919 66 E CB 0.186 29.890 29.700 0.007 0.000 0.955 66 E HN 0.941 nan 8.360 nan 0.000 0.455 67 G N 2.752 111.558 108.800 0.010 0.000 2.195 67 G HA2 -0.241 3.719 3.960 0.000 0.000 0.224 67 G HA3 -0.241 3.719 3.960 0.000 0.000 0.224 67 G C -0.013 174.894 174.900 0.013 0.000 0.990 67 G CA 0.013 45.120 45.100 0.011 0.000 0.639 67 G HN 0.507 nan 8.290 nan 0.000 0.514 68 V N 2.971 122.892 119.914 0.012 0.000 2.406 68 V HA 0.417 4.538 4.120 0.000 0.000 0.272 68 V C 1.455 177.557 176.094 0.012 0.000 1.043 68 V CA -0.518 61.789 62.300 0.012 0.000 0.915 68 V CB 1.315 33.145 31.823 0.011 0.000 0.988 68 V HN 0.206 nan 8.190 nan 0.000 0.466 69 I N 3.224 123.802 120.570 0.014 0.000 3.081 69 I HA 0.372 4.542 4.170 0.000 0.000 0.274 69 I C 0.954 177.078 176.117 0.011 0.000 1.178 69 I CA 0.761 62.070 61.300 0.014 0.000 1.460 69 I CB -0.270 37.741 38.000 0.019 0.000 1.137 69 I HN 0.664 nan 8.210 nan 0.000 0.443 70 A N 0.483 123.309 122.820 0.010 0.000 2.574 70 A HA 0.726 5.047 4.320 0.000 0.000 0.297 70 A C -1.285 176.303 177.584 0.006 0.000 1.062 70 A CA -0.372 51.668 52.037 0.005 0.000 0.686 70 A CB 1.951 20.951 19.000 -0.000 0.000 1.285 70 A HN -0.165 nan 8.150 nan 0.000 0.403 71 V N 0.128 120.043 119.914 0.002 0.000 2.686 71 V HA 0.586 4.707 4.120 0.000 0.000 0.306 71 V C -0.575 175.519 176.094 0.000 0.000 1.065 71 V CA -0.548 61.755 62.300 0.005 0.000 0.894 71 V CB 1.497 33.321 31.823 0.003 0.000 1.004 71 V HN 1.158 nan 8.190 nan 0.000 0.424 72 C N 2.673 121.977 119.300 0.005 0.000 2.802 72 C HA 0.965 5.426 4.460 0.000 0.000 0.307 72 C C 0.440 175.434 174.990 0.007 0.000 1.222 72 C CA -0.430 58.590 59.018 0.003 0.000 1.580 72 C CB 2.081 29.825 27.740 0.006 0.000 2.119 72 C HN 1.065 nan 8.230 nan 0.000 0.479 73 T N -1.759 112.795 114.554 -0.000 0.000 2.804 73 T HA 0.580 4.931 4.350 0.000 0.000 0.290 73 T C 1.061 175.758 174.700 -0.004 0.000 1.099 73 T CA 0.270 62.368 62.100 -0.003 0.000 1.011 73 T CB 1.182 70.038 68.868 -0.021 0.000 1.291 73 T HN 0.888 nan 8.240 nan 0.000 0.523 74 G N -0.147 108.644 108.800 -0.014 0.000 2.479 74 G HA2 0.048 4.008 3.960 0.000 0.000 0.220 74 G HA3 0.048 4.008 3.960 0.000 0.000 0.220 74 G C 1.604 176.467 174.900 -0.062 0.000 1.115 74 G CA 0.838 45.917 45.100 -0.035 0.000 0.757 74 G HN 1.195 nan 8.290 nan 0.000 0.560 75 A N 0.764 123.552 122.820 -0.054 0.000 2.024 75 A HA -0.030 4.290 4.320 0.000 0.000 0.220 75 A C 2.042 179.606 177.584 -0.033 0.000 1.164 75 A CA 1.716 53.722 52.037 -0.052 0.000 0.643 75 A CB -0.226 18.749 19.000 -0.042 0.000 0.806 75 A HN 0.487 nan 8.150 nan 0.000 0.451 76 E N -0.596 119.593 120.200 -0.018 0.000 2.479 76 E HA 0.019 4.369 4.350 0.000 0.000 0.193 76 E C 0.151 176.759 176.600 0.014 0.000 1.049 76 E CA 0.665 57.061 56.400 -0.006 0.000 0.870 76 E CB 0.176 29.871 29.700 -0.009 0.000 0.944 76 E HN 0.631 nan 8.360 nan 0.000 0.492 77 T N -1.329 113.242 114.554 0.028 0.000 3.401 77 T HA 0.219 4.569 4.350 0.000 0.000 0.341 77 T C -2.145 172.625 174.700 0.117 0.000 1.674 77 T CA -1.756 60.397 62.100 0.088 0.000 1.600 77 T CB 0.987 69.933 68.868 0.131 0.000 0.974 77 T HN -0.151 nan 8.240 nan 0.000 0.672 78 P HA 0.136 nan 4.420 nan 0.000 0.245 78 P C 0.010 177.473 177.300 0.271 0.000 1.212 78 P CA -0.004 63.156 63.100 0.100 0.000 0.774 78 P CB 0.237 31.966 31.700 0.048 0.000 0.999 79 V N 3.861 123.941 119.914 0.276 0.000 2.370 79 V HA 0.307 4.427 4.120 0.000 0.000 0.283 79 V C -1.917 174.297 176.094 0.200 0.000 1.023 79 V CA -2.105 60.334 62.300 0.231 0.000 0.857 79 V CB 1.742 33.643 31.823 0.130 0.000 0.985 79 V HN 0.036 nan 8.190 nan 0.000 0.443 80 P HA 0.473 nan 4.420 nan 0.000 0.276 80 P C -1.147 176.072 177.300 -0.134 0.000 1.261 80 P CA -0.252 62.579 63.100 -0.449 0.000 0.800 80 P CB 1.201 32.406 31.700 -0.825 0.000 1.066 81 F N -2.891 116.924 119.950 -0.225 0.000 2.626 81 F HA 0.874 5.401 4.527 0.000 0.000 0.311 81 F C -0.818 174.889 175.800 -0.155 0.000 1.088 81 F CA -0.912 56.995 58.000 -0.155 0.000 0.949 81 F CB 1.558 40.486 39.000 -0.122 0.000 1.322 81 F HN 0.583 nan 8.300 nan 0.000 0.461 82 G N 0.625 109.410 108.800 -0.024 0.000 2.702 82 G HA2 0.404 4.365 3.960 0.000 0.000 0.296 82 G HA3 0.404 4.365 3.960 0.000 0.000 0.296 82 G C -1.000 173.832 174.900 -0.113 0.000 1.463 82 G CA -0.213 44.820 45.100 -0.112 0.000 0.890 82 G HN 1.117 nan 8.290 nan 0.000 0.534 83 V N 0.654 120.434 119.914 -0.223 0.000 2.626 83 V HA 0.126 4.246 4.120 0.000 0.000 0.252 83 V C 0.573 176.382 176.094 -0.476 0.000 1.067 83 V CA 1.075 63.118 62.300 -0.428 0.000 1.081 83 V CB -0.466 30.939 31.823 -0.696 0.000 0.686 83 V HN 0.429 nan 8.190 nan 0.000 0.468 84 L N 0.859 121.870 121.223 -0.354 0.000 2.282 84 L HA 0.429 4.770 4.340 0.000 0.000 0.288 84 L C -1.352 175.390 176.870 -0.213 0.000 1.033 84 L CA -2.108 52.556 54.840 -0.294 0.000 0.807 84 L CB 0.621 42.559 42.059 -0.202 0.000 1.209 84 L HN -0.004 nan 8.230 nan 0.000 0.423 85 P HA -0.124 nan 4.420 nan 0.000 0.217 85 P C 1.537 178.788 177.300 -0.081 0.000 1.148 85 P CA 1.291 64.319 63.100 -0.120 0.000 0.828 85 P CB 0.171 31.808 31.700 -0.106 0.000 0.783 86 I N -5.139 115.380 120.570 -0.085 0.000 3.428 86 I HA 0.252 4.423 4.170 0.000 0.000 0.286 86 I C 0.687 176.770 176.117 -0.056 0.000 1.287 86 I CA 0.444 61.711 61.300 -0.056 0.000 1.396 86 I CB -0.233 37.737 38.000 -0.050 0.000 1.062 86 I HN -0.209 nan 8.210 nan 0.000 0.471 87 A N 1.864 124.638 122.820 -0.078 0.000 3.370 87 A HA 0.433 4.754 4.320 0.000 0.000 0.295 87 A C -0.452 177.068 177.584 -0.106 0.000 1.030 87 A CA -0.494 51.499 52.037 -0.074 0.000 0.883 87 A CB -0.089 18.874 19.000 -0.060 0.000 1.191 87 A HN 0.379 nan 8.150 nan 0.000 0.507 88 E N 1.761 121.891 120.200 -0.116 0.000 2.028 88 E HA 0.170 4.520 4.350 0.000 0.000 0.266 88 E C -0.291 176.175 176.600 -0.225 0.000 0.962 88 E CA -0.511 55.784 56.400 -0.175 0.000 0.784 88 E CB 0.589 30.209 29.700 -0.133 0.000 1.114 88 E HN 0.639 nan 8.360 nan 0.000 0.414 89 N N 2.204 120.755 118.700 -0.249 0.000 2.241 89 N HA -0.006 4.734 4.740 0.000 0.000 0.238 89 N C -0.379 175.018 175.510 -0.189 0.000 1.244 89 N CA -0.282 52.654 53.050 -0.190 0.000 0.880 89 N CB 0.561 39.005 38.487 -0.071 0.000 1.179 89 N HN 0.289 nan 8.380 nan 0.000 0.513 90 E N 0.476 120.308 120.200 -0.612 0.000 2.151 90 E HA 0.255 4.605 4.350 0.000 0.000 0.275 90 E C -1.188 174.829 176.600 -0.972 0.000 0.936 90 E CA -0.642 55.178 56.400 -0.967 0.000 0.777 90 E CB 0.917 29.809 29.700 -1.347 0.000 1.108 90 E HN 0.111 nan 8.360 nan 0.000 0.401 91 Y N 3.940 124.052 120.300 -0.312 0.000 2.334 91 Y HA 0.219 4.769 4.550 0.000 0.000 0.328 91 Y C -1.568 174.417 175.900 0.143 0.000 1.130 91 Y CA -2.091 55.988 58.100 -0.035 0.000 1.163 91 Y CB 1.089 39.561 38.460 0.020 0.000 1.207 91 Y HN 0.591 nan 8.280 nan 0.000 0.471 92 P HA -0.136 nan 4.420 nan 0.000 0.216 92 P C -0.619 176.824 177.300 0.238 0.000 1.153 92 P CA 1.627 64.959 63.100 0.387 0.000 0.858 92 P CB 0.359 32.197 31.700 0.230 0.000 0.789 93 L N -1.769 119.570 121.223 0.194 0.000 2.386 93 L HA 0.552 4.892 4.340 0.000 0.000 0.271 93 L C 0.003 176.940 176.870 0.112 0.000 0.993 93 L CA -1.610 53.300 54.840 0.117 0.000 0.819 93 L CB 1.839 43.945 42.059 0.078 0.000 1.294 93 L HN -0.185 nan 8.230 nan 0.000 0.414 94 A N 3.579 126.452 122.820 0.089 0.000 2.561 94 A HA 0.335 4.655 4.320 0.000 0.000 0.234 94 A C -0.069 177.512 177.584 -0.004 0.000 1.055 94 A CA 0.392 52.484 52.037 0.092 0.000 0.756 94 A CB 0.024 19.085 19.000 0.102 0.000 0.986 94 A HN 0.781 nan 8.150 nan 0.000 0.505 95 R N 1.857 122.315 120.500 -0.069 0.000 2.513 95 R HA 0.438 4.778 4.340 0.000 0.000 0.301 95 R C -0.478 175.772 176.300 -0.083 0.000 0.968 95 R CA -0.473 55.512 56.100 -0.192 0.000 0.872 95 R CB 1.445 31.425 30.300 -0.534 0.000 1.177 95 R HN 0.909 nan 8.270 nan 0.000 0.444 96 D N 0.636 121.005 120.400 -0.053 0.000 3.429 96 D HA -0.228 4.412 4.640 0.000 0.000 0.200 96 D C -0.206 176.108 176.300 0.023 0.000 1.351 96 D CA 2.067 56.057 54.000 -0.017 0.000 2.227 96 D CB -0.390 40.402 40.800 -0.015 0.000 1.277 96 D HN 0.651 nan 8.370 nan 0.000 0.455 97 K N -0.025 120.411 120.400 0.061 0.000 2.556 97 K HA 0.622 4.942 4.320 0.000 0.000 0.274 97 K C -0.407 176.278 176.600 0.141 0.000 0.966 97 K CA -0.977 55.367 56.287 0.095 0.000 0.865 97 K CB 2.923 35.464 32.500 0.068 0.000 1.444 97 K HN 0.077 nan 8.250 nan 0.000 0.433 98 V N -1.155 118.852 119.914 0.154 0.000 2.732 98 V HA 0.568 4.688 4.120 0.000 0.000 0.310 98 V C 0.105 176.274 176.094 0.124 0.000 1.053 98 V CA -0.919 61.461 62.300 0.133 0.000 0.957 98 V CB 1.358 33.235 31.823 0.090 0.000 1.018 98 V HN 0.919 nan 8.190 nan 0.000 0.452 99 R N 1.601 122.151 120.500 0.082 0.000 2.549 99 R HA 0.381 4.722 4.340 0.000 0.000 0.344 99 R C -0.984 175.374 176.300 0.097 0.000 0.979 99 R CA -0.061 56.017 56.100 -0.038 0.000 1.140 99 R CB 0.791 30.907 30.300 -0.306 0.000 1.377 99 R HN 0.924 nan 8.270 nan 0.000 0.541 100 Y N -3.069 117.234 120.300 0.006 0.000 2.620 100 Y HA 0.362 4.912 4.550 0.000 0.000 0.331 100 Y C -1.304 174.619 175.900 0.039 0.000 1.173 100 Y CA -1.650 56.452 58.100 0.004 0.000 1.076 100 Y CB 0.719 39.201 38.460 0.036 0.000 1.336 100 Y HN -0.266 nan 8.280 nan 0.000 0.459 101 R N 1.477 122.046 120.500 0.115 0.000 2.343 101 R HA 0.461 4.801 4.340 0.000 0.000 0.326 101 R C 0.840 177.172 176.300 0.054 0.000 1.055 101 R CA 1.468 57.576 56.100 0.012 0.000 0.961 101 R CB -0.242 30.093 30.300 0.059 0.000 0.978 101 R HN 1.424 nan 8.270 nan 0.000 0.443 102 G N 3.022 111.736 108.800 -0.143 0.000 2.296 102 G HA2 -0.222 3.738 3.960 0.000 0.000 0.188 102 G HA3 -0.222 3.738 3.960 0.000 0.000 0.188 102 G C -0.299 174.390 174.900 -0.352 0.000 1.000 102 G CA -0.185 44.878 45.100 -0.061 0.000 0.672 102 G HN 0.643 nan 8.290 nan 0.000 0.483 103 D N 2.563 122.405 120.400 -0.929 0.000 2.472 103 D HA 0.371 5.012 4.640 0.000 0.000 0.248 103 D C -2.083 174.050 176.300 -0.278 0.000 1.174 103 D CA -0.925 52.567 54.000 -0.848 0.000 0.883 103 D CB 1.055 41.431 40.800 -0.707 0.000 1.149 103 D HN 0.133 nan 8.370 nan 0.000 0.488 104 P HA -0.029 nan 4.420 nan 0.000 0.263 104 P C 0.338 177.643 177.300 0.008 0.000 1.195 104 P CA -0.088 62.980 63.100 -0.052 0.000 0.762 104 P CB 0.966 32.639 31.700 -0.044 0.000 0.799 105 V N 2.489 122.426 119.914 0.038 0.000 3.151 105 V HA 0.414 4.534 4.120 0.000 0.000 0.241 105 V C 0.755 176.872 176.094 0.039 0.000 1.173 105 V CA 1.422 63.755 62.300 0.055 0.000 1.154 105 V CB 0.084 31.965 31.823 0.096 0.000 0.898 105 V HN 0.660 nan 8.190 nan 0.000 0.473 106 A N -0.722 122.123 122.820 0.042 0.000 2.568 106 A HA 0.975 5.295 4.320 0.000 0.000 0.291 106 A C -1.295 176.318 177.584 0.048 0.000 1.159 106 A CA 0.020 52.077 52.037 0.034 0.000 0.679 106 A CB 1.552 20.564 19.000 0.019 0.000 1.285 106 A HN 0.872 nan 8.150 nan 0.000 0.428 107 A N -1.164 121.681 122.820 0.041 0.000 2.612 107 A HA 0.794 5.115 4.320 0.000 0.000 0.293 107 A C -1.544 176.062 177.584 0.036 0.000 1.075 107 A CA -0.012 52.055 52.037 0.050 0.000 0.680 107 A CB 1.088 20.127 19.000 0.066 0.000 1.279 107 A HN 2.242 nan 8.150 nan 0.000 0.411 108 V N -0.218 119.718 119.914 0.037 0.000 3.078 108 V HA 0.902 5.022 4.120 0.000 0.000 0.311 108 V C -0.735 175.377 176.094 0.030 0.000 1.138 108 V CA 0.105 62.422 62.300 0.028 0.000 1.007 108 V CB 2.109 33.947 31.823 0.025 0.000 1.045 108 V HN 2.208 nan 8.190 nan 0.000 0.432 109 A N 3.973 126.808 122.820 0.024 0.000 2.335 109 A HA 1.012 5.333 4.320 0.000 0.000 0.304 109 A C -0.405 177.193 177.584 0.022 0.000 1.118 109 A CA 0.133 52.185 52.037 0.025 0.000 0.757 109 A CB 1.337 20.352 19.000 0.024 0.000 1.188 109 A HN 1.966 nan 8.150 nan 0.000 0.460 110 A N 1.680 124.513 122.820 0.023 0.000 2.485 110 A HA 0.694 5.015 4.320 0.000 0.000 0.292 110 A C 0.895 178.491 177.584 0.020 0.000 1.147 110 A CA -0.163 51.886 52.037 0.020 0.000 0.750 110 A CB 0.438 19.449 19.000 0.018 0.000 1.331 110 A HN 1.555 nan 8.150 nan 0.000 0.419 111 I N -2.168 118.412 120.570 0.018 0.000 2.454 111 I HA 0.043 4.213 4.170 0.000 0.000 0.254 111 I C 0.246 176.373 176.117 0.017 0.000 1.156 111 I CA 1.588 62.898 61.300 0.017 0.000 1.433 111 I CB -0.656 37.353 38.000 0.015 0.000 1.082 111 I HN 0.642 nan 8.210 nan 0.000 0.432 112 D N -1.062 119.347 120.400 0.016 0.000 2.643 112 D HA 0.202 4.843 4.640 0.000 0.000 0.283 112 D C 0.218 176.527 176.300 0.016 0.000 1.242 112 D CA -0.648 53.361 54.000 0.016 0.000 0.863 112 D CB 0.916 41.724 40.800 0.013 0.000 1.382 112 D HN -0.139 nan 8.370 nan 0.000 0.444 113 E N -0.331 119.878 120.200 0.015 0.000 2.051 113 E HA -0.070 4.280 4.350 0.000 0.000 0.192 113 E C 1.910 178.519 176.600 0.015 0.000 0.991 113 E CA 1.319 57.728 56.400 0.016 0.000 0.799 113 E CB -0.340 29.369 29.700 0.014 0.000 0.748 113 E HN 0.341 nan 8.360 nan 0.000 0.449 114 V N 0.882 120.804 119.914 0.013 0.000 2.287 114 V HA -0.295 3.826 4.120 0.000 0.000 0.248 114 V C 2.128 178.230 176.094 0.013 0.000 1.053 114 V CA 2.299 64.607 62.300 0.012 0.000 1.027 114 V CB -0.802 31.028 31.823 0.011 0.000 0.646 114 V HN 0.371 nan 8.190 nan 0.000 0.447 115 T N 0.205 114.767 114.554 0.013 0.000 2.821 115 T HA -0.096 4.254 4.350 0.000 0.000 0.267 115 T C 2.047 176.756 174.700 0.015 0.000 1.046 115 T CA 1.412 63.520 62.100 0.013 0.000 1.139 115 T CB -0.397 68.478 68.868 0.013 0.000 0.871 115 T HN 0.563 nan 8.240 nan 0.000 0.454 116 A N 1.470 124.300 122.820 0.017 0.000 1.933 116 A HA -0.120 4.200 4.320 0.000 0.000 0.218 116 A C 2.198 179.794 177.584 0.020 0.000 1.175 116 A CA 1.973 54.023 52.037 0.020 0.000 0.628 116 A CB -0.601 18.413 19.000 0.023 0.000 0.814 116 A HN 0.518 nan 8.150 nan 0.000 0.444 117 E N 0.186 120.398 120.200 0.019 0.000 2.031 117 E HA -0.202 4.148 4.350 0.000 0.000 0.193 117 E C 1.910 178.520 176.600 0.017 0.000 0.994 117 E CA 1.631 58.042 56.400 0.019 0.000 0.800 117 E CB -0.057 29.653 29.700 0.017 0.000 0.752 117 E HN 0.344 nan 8.360 nan 0.000 0.447 118 K N 0.369 120.777 120.400 0.015 0.000 2.063 118 K HA -0.090 4.230 4.320 0.000 0.000 0.208 118 K C 2.106 178.714 176.600 0.013 0.000 1.048 118 K CA 1.224 57.519 56.287 0.013 0.000 0.928 118 K CB -0.821 31.686 32.500 0.011 0.000 0.713 118 K HN 0.266 nan 8.250 nan 0.000 0.442 119 A N 1.677 124.506 122.820 0.014 0.000 1.883 119 A HA -0.141 4.179 4.320 0.000 0.000 0.217 119 A C 2.383 179.976 177.584 0.015 0.000 1.186 119 A CA 1.393 53.439 52.037 0.014 0.000 0.624 119 A CB -0.730 18.279 19.000 0.015 0.000 0.822 119 A HN 0.206 nan 8.150 nan 0.000 0.444 120 L N -0.849 120.385 121.223 0.019 0.000 2.046 120 L HA -0.211 4.130 4.340 0.000 0.000 0.208 120 L C 3.041 179.923 176.870 0.021 0.000 1.077 120 L CA 1.146 55.999 54.840 0.022 0.000 0.747 120 L CB -0.626 41.450 42.059 0.027 0.000 0.896 120 L HN 0.436 nan 8.230 nan 0.000 0.432 121 A N -0.114 122.717 122.820 0.018 0.000 2.015 121 A HA -0.095 4.225 4.320 0.000 0.000 0.219 121 A C 2.174 179.767 177.584 0.015 0.000 1.163 121 A CA 1.161 53.208 52.037 0.017 0.000 0.646 121 A CB -0.555 18.454 19.000 0.015 0.000 0.806 121 A HN 0.406 nan 8.150 nan 0.000 0.448 122 L N -0.352 120.878 121.223 0.011 0.000 2.554 122 L HA 0.147 4.487 4.340 0.000 0.000 0.226 122 L C 0.082 176.955 176.870 0.004 0.000 1.137 122 L CA -0.062 54.782 54.840 0.007 0.000 0.863 122 L CB -0.241 41.821 42.059 0.006 0.000 0.985 122 L HN 0.283 nan 8.230 nan 0.000 0.451 123 I N 0.895 121.468 120.570 0.005 0.000 2.416 123 I HA 0.035 4.205 4.170 0.000 0.000 0.288 123 I C 0.472 176.584 176.117 -0.009 0.000 1.051 123 I CA 0.133 61.431 61.300 -0.003 0.000 1.375 123 I CB 0.802 38.802 38.000 -0.000 0.000 1.407 123 I HN 0.003 nan 8.210 nan 0.000 0.516 124 K N 6.534 126.920 120.400 -0.023 0.000 2.240 124 K HA 0.587 4.907 4.320 0.000 0.000 0.271 124 K C -1.410 175.142 176.600 -0.078 0.000 1.018 124 K CA -0.493 55.774 56.287 -0.033 0.000 0.874 124 K CB 1.247 33.731 32.500 -0.027 0.000 1.098 124 K HN 0.416 nan 8.250 nan 0.000 0.458 125 V N 3.972 123.816 119.914 -0.116 0.000 2.487 125 V HA 0.260 4.380 4.120 0.000 0.000 0.298 125 V C -0.898 174.986 176.094 -0.349 0.000 1.028 125 V CA -1.014 61.109 62.300 -0.295 0.000 0.860 125 V CB 1.776 33.313 31.823 -0.477 0.000 0.991 125 V HN 0.809 nan 8.190 nan 0.000 0.427 126 D N 3.722 123.926 120.400 -0.327 0.000 2.280 126 D HA 0.491 5.131 4.640 0.000 0.000 0.236 126 D C -0.956 175.197 176.300 -0.246 0.000 1.082 126 D CA 0.085 53.967 54.000 -0.197 0.000 0.834 126 D CB 1.752 42.492 40.800 -0.100 0.000 1.100 126 D HN 0.448 nan 8.370 nan 0.000 0.486 127 Y N 0.118 120.400 120.300 -0.030 0.000 2.509 127 Y HA 0.282 4.833 4.550 0.000 0.000 0.341 127 Y C 0.701 176.522 175.900 -0.132 0.000 1.038 127 Y CA -0.942 57.109 58.100 -0.080 0.000 1.089 127 Y CB 2.018 40.404 38.460 -0.123 0.000 1.241 127 Y HN 0.186 nan 8.280 nan 0.000 0.468 128 E N 2.001 122.225 120.200 0.041 0.000 2.149 128 E HA 0.376 4.727 4.350 0.000 0.000 0.255 128 E C -1.450 175.073 176.600 -0.128 0.000 0.888 128 E CA -0.502 55.867 56.400 -0.052 0.000 0.742 128 E CB 1.011 30.681 29.700 -0.050 0.000 1.164 128 E HN 0.491 nan 8.360 nan 0.000 0.422 129 V N 5.718 125.507 119.914 -0.209 0.000 2.673 129 V HA 0.067 4.187 4.120 0.000 0.000 0.303 129 V C 0.549 176.518 176.094 -0.207 0.000 1.046 129 V CA 0.412 62.543 62.300 -0.282 0.000 1.126 129 V CB 0.419 32.054 31.823 -0.314 0.000 0.934 129 V HN 0.623 nan 8.190 nan 0.000 0.487 130 L N 5.614 126.695 121.223 -0.236 0.000 2.303 130 L HA 0.563 4.903 4.340 0.000 0.000 0.266 130 L C -2.412 174.332 176.870 -0.210 0.000 1.011 130 L CA -2.126 52.551 54.840 -0.272 0.000 0.818 130 L CB 1.984 43.710 42.059 -0.555 0.000 1.326 130 L HN 0.405 nan 8.230 nan 0.000 0.435 131 P HA 0.182 nan 4.420 nan 0.000 0.271 131 P C -1.218 175.805 177.300 -0.461 0.000 1.216 131 P CA -0.116 62.832 63.100 -0.254 0.000 0.771 131 P CB 0.866 32.465 31.700 -0.168 0.000 0.864 132 A N 3.261 125.793 122.820 -0.481 0.000 2.340 132 A HA 0.660 4.980 4.320 0.000 0.000 0.331 132 A C -1.347 175.828 177.584 -0.682 0.000 1.140 132 A CA -0.508 51.231 52.037 -0.496 0.000 0.801 132 A CB 0.600 19.492 19.000 -0.180 0.000 1.234 132 A HN 0.501 nan 8.150 nan 0.000 0.469 133 Y N 2.071 122.370 120.300 -0.001 0.000 2.328 133 Y HA 0.325 4.875 4.550 0.000 0.000 0.336 133 Y C 0.947 176.816 175.900 -0.052 0.000 0.960 133 Y CA -0.982 57.106 58.100 -0.019 0.000 1.134 133 Y CB 1.767 40.222 38.460 -0.009 0.000 1.166 133 Y HN 0.577 nan 8.280 nan 0.000 0.464 134 M N 0.950 120.582 119.600 0.054 0.000 2.476 134 M HA 0.072 4.552 4.480 0.000 0.000 0.262 134 M C 0.579 176.836 176.300 -0.072 0.000 1.111 134 M CA 0.505 55.789 55.300 -0.026 0.000 1.127 134 M CB -0.518 32.067 32.600 -0.025 0.000 1.376 134 M HN 0.699 nan 8.290 nan 0.000 0.465 135 T N -3.172 111.348 114.554 -0.058 0.000 2.924 135 T HA 0.471 4.821 4.350 0.000 0.000 0.291 135 T C -2.399 172.262 174.700 -0.065 0.000 1.045 135 T CA -1.721 60.284 62.100 -0.158 0.000 1.015 135 T CB 2.559 71.301 68.868 -0.210 0.000 1.103 135 T HN -0.226 nan 8.240 nan 0.000 0.496 136 P HA -0.020 nan 4.420 nan 0.000 0.215 136 P C 1.428 178.715 177.300 -0.021 0.000 1.157 136 P CA 1.156 64.268 63.100 0.019 0.000 0.868 136 P CB 0.090 31.855 31.700 0.109 0.000 0.788 137 K N -0.531 119.847 120.400 -0.037 0.000 2.063 137 K HA -0.139 4.182 4.320 0.000 0.000 0.208 137 K C 2.111 178.677 176.600 -0.057 0.000 1.048 137 K CA 1.676 57.934 56.287 -0.048 0.000 0.928 137 K CB -0.657 31.821 32.500 -0.037 0.000 0.713 137 K HN 0.057 nan 8.250 nan 0.000 0.442 138 A N 1.223 124.020 122.820 -0.038 0.000 1.898 138 A HA -0.042 4.279 4.320 0.000 0.000 0.216 138 A C 2.314 179.785 177.584 -0.189 0.000 1.181 138 A CA 1.620 53.646 52.037 -0.018 0.000 0.620 138 A CB -0.542 18.526 19.000 0.113 0.000 0.819 138 A HN 0.326 nan 8.150 nan 0.000 0.442 139 A N -0.829 121.889 122.820 -0.169 0.000 2.067 139 A HA 0.021 4.341 4.320 0.000 0.000 0.219 139 A C 2.073 179.485 177.584 -0.288 0.000 1.158 139 A CA 1.505 53.332 52.037 -0.351 0.000 0.661 139 A CB -0.466 18.502 19.000 -0.053 0.000 0.801 139 A HN 0.521 nan 8.150 nan 0.000 0.452 140 M N -0.785 118.718 119.600 -0.162 0.000 2.502 140 M HA 0.085 4.565 4.480 0.000 0.000 0.243 140 M C 0.787 177.016 176.300 -0.117 0.000 1.130 140 M CA 0.167 55.401 55.300 -0.111 0.000 1.055 140 M CB -0.036 32.518 32.600 -0.077 0.000 1.457 140 M HN 0.233 nan 8.290 nan 0.000 0.488 141 K N 2.122 122.434 120.400 -0.147 0.000 2.485 141 K HA 0.203 4.523 4.320 0.000 0.000 0.277 141 K C -0.145 176.397 176.600 -0.096 0.000 0.990 141 K CA -0.225 55.998 56.287 -0.108 0.000 0.994 141 K CB 0.645 33.086 32.500 -0.098 0.000 0.906 141 K HN 0.171 nan 8.250 nan 0.000 0.488 142 A N 3.078 125.864 122.820 -0.057 0.000 2.546 142 A HA 0.316 4.636 4.320 0.000 0.000 0.243 142 A C 1.221 178.785 177.584 -0.034 0.000 1.063 142 A CA 0.786 52.800 52.037 -0.038 0.000 0.757 142 A CB -0.615 18.371 19.000 -0.022 0.000 0.991 142 A HN 1.114 nan 8.150 nan 0.000 0.503 143 G N 1.094 109.877 108.800 -0.027 0.000 2.217 143 G HA2 0.130 4.090 3.960 0.000 0.000 0.246 143 G HA3 0.130 4.090 3.960 0.000 0.000 0.246 143 G C 0.709 175.602 174.900 -0.011 0.000 0.990 143 G CA 0.431 45.526 45.100 -0.009 0.000 0.627 143 G HN 2.309 nan 8.290 nan 0.000 0.522 144 A N 0.650 123.417 122.820 -0.087 0.000 2.565 144 A HA 0.504 4.824 4.320 0.000 0.000 0.237 144 A C 0.836 178.396 177.584 -0.040 0.000 1.053 144 A CA 0.432 52.346 52.037 -0.205 0.000 0.755 144 A CB -0.010 18.631 19.000 -0.599 0.000 0.980 144 A HN 0.899 nan 8.150 nan 0.000 0.506 145 I N 1.896 122.577 120.570 0.185 0.000 2.618 145 I HA 0.158 4.328 4.170 0.000 0.000 0.284 145 I C 1.150 177.396 176.117 0.215 0.000 1.146 145 I CA 0.084 61.510 61.300 0.210 0.000 1.425 145 I CB 0.722 38.875 38.000 0.256 0.000 1.383 145 I HN 0.735 nan 8.210 nan 0.000 0.562 146 A N 6.532 129.425 122.820 0.122 0.000 2.454 146 A HA 0.213 4.533 4.320 0.000 0.000 0.260 146 A C 0.881 178.512 177.584 0.078 0.000 1.106 146 A CA -0.397 51.696 52.037 0.094 0.000 0.780 146 A CB 0.299 19.342 19.000 0.071 0.000 1.044 146 A HN 0.751 nan 8.150 nan 0.000 0.498 147 L N 1.804 123.021 121.223 -0.010 0.000 2.046 147 L HA -0.051 4.289 4.340 0.000 0.000 0.208 147 L C 0.616 177.174 176.870 -0.520 0.000 1.077 147 L CA 1.764 56.443 54.840 -0.268 0.000 0.747 147 L CB -0.676 41.121 42.059 -0.436 0.000 0.896 147 L HN 0.787 nan 8.230 nan 0.000 0.432 148 H N -1.542 117.398 119.070 -0.217 0.000 2.529 148 H HA 0.207 4.763 4.556 0.000 0.000 0.348 148 H C 0.441 175.760 175.328 -0.015 0.000 1.079 148 H CA -0.700 55.265 56.048 -0.139 0.000 1.198 148 H CB 1.060 30.685 29.762 -0.229 0.000 1.521 148 H HN -0.121 nan 8.280 nan 0.000 0.514 149 D N 1.319 121.773 120.400 0.089 0.000 2.221 149 D HA -0.161 4.479 4.640 0.000 0.000 0.204 149 D C 1.303 177.661 176.300 0.097 0.000 0.982 149 D CA 1.249 55.297 54.000 0.080 0.000 0.857 149 D CB 0.045 40.883 40.800 0.063 0.000 0.934 149 D HN 0.733 nan 8.370 nan 0.000 0.475 150 D N -0.034 120.438 120.400 0.120 0.000 2.363 150 D HA -0.097 4.543 4.640 0.000 0.000 0.226 150 D C 0.151 176.522 176.300 0.118 0.000 1.020 150 D CA 0.452 54.515 54.000 0.104 0.000 0.892 150 D CB 0.051 40.907 40.800 0.093 0.000 0.900 150 D HN -0.040 nan 8.370 nan 0.000 0.531 151 K N 0.700 121.192 120.400 0.154 0.000 2.827 151 K HA 0.239 4.559 4.320 0.000 0.000 0.186 151 K C -2.192 174.497 176.600 0.147 0.000 1.093 151 K CA -1.694 54.694 56.287 0.169 0.000 0.993 151 K CB 1.990 34.656 32.500 0.276 0.000 1.199 151 K HN -0.108 nan 8.250 nan 0.000 0.598 152 P HA -0.208 nan 4.420 nan 0.000 0.217 152 P C 0.651 177.991 177.300 0.065 0.000 1.148 152 P CA 1.438 64.582 63.100 0.074 0.000 0.834 152 P CB 0.220 31.954 31.700 0.056 0.000 0.783 153 N N -2.031 116.714 118.700 0.075 0.000 2.268 153 N HA 0.003 4.743 4.740 0.000 0.000 0.204 153 N C 0.061 175.615 175.510 0.073 0.000 1.124 153 N CA -0.201 52.882 53.050 0.055 0.000 0.838 153 N CB -1.255 37.267 38.487 0.058 0.000 0.994 153 N HN -0.097 nan 8.380 nan 0.000 0.489 154 N N -0.147 118.633 118.700 0.134 0.000 2.708 154 N HA -0.175 4.565 4.740 0.000 0.000 0.251 154 N C -1.096 174.535 175.510 0.201 0.000 1.123 154 N CA 0.681 53.864 53.050 0.223 0.000 0.739 154 N CB -1.368 37.193 38.487 0.123 0.000 1.113 154 N HN 0.539 nan 8.380 nan 0.000 0.561 155 I N 1.164 121.819 120.570 0.142 0.000 2.328 155 I HA 0.075 4.246 4.170 0.000 0.000 0.287 155 I C 1.548 177.660 176.117 -0.008 0.000 1.012 155 I CA -0.592 60.753 61.300 0.076 0.000 1.195 155 I CB 1.387 39.474 38.000 0.144 0.000 1.350 155 I HN -0.073 nan 8.210 nan 0.000 0.464 156 L N 6.407 127.487 121.223 -0.239 0.000 2.056 156 L HA 0.098 4.438 4.340 0.000 0.000 0.207 156 L C 0.712 177.507 176.870 -0.125 0.000 1.078 156 L CA 1.815 56.459 54.840 -0.326 0.000 0.749 156 L CB -0.156 41.489 42.059 -0.690 0.000 0.901 156 L HN 0.665 nan 8.230 nan 0.000 0.433 157 R N -0.296 120.146 120.500 -0.096 0.000 2.594 157 R HA 0.423 4.763 4.340 0.000 0.000 0.265 157 R C -1.604 174.637 176.300 -0.097 0.000 1.070 157 R CA -0.448 55.609 56.100 -0.073 0.000 0.909 157 R CB 1.061 31.313 30.300 -0.081 0.000 1.243 157 R HN 0.237 nan 8.270 nan 0.000 0.455 158 E N 2.174 122.287 120.200 -0.146 0.000 2.227 158 E HA 0.597 4.948 4.350 0.000 0.000 0.268 158 E C -1.027 175.301 176.600 -0.454 0.000 0.907 158 E CA -1.257 54.917 56.400 -0.375 0.000 0.786 158 E CB 2.710 32.266 29.700 -0.240 0.000 1.191 158 E HN 0.263 nan 8.360 nan 0.000 0.411 159 V N 2.810 122.262 119.914 -0.771 0.000 2.588 159 V HA 0.329 4.449 4.120 0.000 0.000 0.304 159 V C -0.812 174.701 176.094 -0.968 0.000 1.042 159 V CA -0.816 61.123 62.300 -0.601 0.000 0.877 159 V CB 1.658 33.232 31.823 -0.416 0.000 0.996 159 V HN 0.660 nan 8.190 nan 0.000 0.425 160 H N 3.252 122.169 119.070 -0.255 0.000 3.177 160 H HA 0.764 5.320 4.556 0.000 0.000 0.314 160 H C -0.308 174.951 175.328 -0.116 0.000 1.059 160 H CA -0.070 55.852 56.048 -0.211 0.000 1.515 160 H CB 1.967 31.632 29.762 -0.161 0.000 1.672 160 H HN 0.859 nan 8.280 nan 0.000 0.514 161 A N 2.522 125.357 122.820 0.025 0.000 2.515 161 A HA 0.676 4.996 4.320 0.000 0.000 0.296 161 A C -0.842 176.715 177.584 -0.044 0.000 1.094 161 A CA -0.694 51.323 52.037 -0.033 0.000 0.718 161 A CB 2.539 21.573 19.000 0.057 0.000 1.307 161 A HN 0.589 nan 8.150 nan 0.000 0.408 162 E N 0.126 120.140 120.200 -0.311 0.000 2.290 162 E HA 0.529 4.879 4.350 0.000 0.000 0.274 162 E C -2.076 174.226 176.600 -0.497 0.000 0.889 162 E CA -0.257 56.026 56.400 -0.194 0.000 0.760 162 E CB 1.759 31.416 29.700 -0.073 0.000 1.206 162 E HN 0.471 nan 8.360 nan 0.000 0.419 163 F N 1.788 121.807 119.950 0.114 0.000 2.445 163 F HA 0.540 5.067 4.527 0.000 0.000 0.348 163 F C 0.811 176.649 175.800 0.064 0.000 1.125 163 F CA -0.018 58.047 58.000 0.107 0.000 0.983 163 F CB 1.821 40.940 39.000 0.199 0.000 1.198 163 F HN 0.708 nan 8.300 nan 0.000 0.436 164 G N 2.505 111.387 108.800 0.138 0.000 2.698 164 G HA2 -0.183 3.777 3.960 0.000 0.000 0.225 164 G HA3 -0.183 3.777 3.960 0.000 0.000 0.225 164 G C -1.290 173.643 174.900 0.055 0.000 1.345 164 G CA -0.878 44.275 45.100 0.088 0.000 0.871 164 G HN 0.638 nan 8.290 nan 0.000 0.540 165 D N 0.249 120.674 120.400 0.042 0.000 2.456 165 D HA 0.434 5.074 4.640 0.000 0.000 0.219 165 D C 1.772 178.101 176.300 0.048 0.000 1.126 165 D CA 0.078 54.102 54.000 0.041 0.000 0.890 165 D CB 1.027 41.847 40.800 0.034 0.000 1.025 165 D HN 0.262 nan 8.370 nan 0.000 0.511 166 V N 4.057 124.017 119.914 0.076 0.000 2.307 166 V HA -0.230 3.890 4.120 0.000 0.000 0.245 166 V C 2.542 178.750 176.094 0.189 0.000 1.045 166 V CA 2.045 64.409 62.300 0.107 0.000 1.024 166 V CB -0.663 31.274 31.823 0.190 0.000 0.651 166 V HN 0.653 nan 8.190 nan 0.000 0.449 167 A N 0.136 123.068 122.820 0.186 0.000 1.892 167 A HA -0.203 4.117 4.320 0.000 0.000 0.218 167 A C 2.427 180.105 177.584 0.156 0.000 1.188 167 A CA 2.452 54.604 52.037 0.192 0.000 0.631 167 A CB -0.876 18.192 19.000 0.114 0.000 0.822 167 A HN 0.591 nan 8.150 nan 0.000 0.447 168 A N -0.295 122.582 122.820 0.095 0.000 1.877 168 A HA 0.175 4.495 4.320 0.000 0.000 0.216 168 A C 2.535 180.150 177.584 0.052 0.000 1.186 168 A CA 2.141 54.217 52.037 0.066 0.000 0.620 168 A CB -1.103 17.922 19.000 0.042 0.000 0.822 168 A HN 1.143 nan 8.150 nan 0.000 0.443 169 A N -1.287 121.540 122.820 0.011 0.000 1.940 169 A HA -0.063 4.257 4.320 0.000 0.000 0.219 169 A C 1.933 179.459 177.584 -0.096 0.000 1.176 169 A CA 1.669 53.660 52.037 -0.077 0.000 0.631 169 A CB -0.730 18.165 19.000 -0.175 0.000 0.814 169 A HN 0.457 nan 8.150 nan 0.000 0.446 170 F N -0.063 119.905 119.950 0.029 0.000 2.259 170 F HA 0.030 4.557 4.527 0.000 0.000 0.298 170 F C 2.694 178.506 175.800 0.020 0.000 1.088 170 F CA 0.583 58.597 58.000 0.025 0.000 1.358 170 F CB -0.468 38.549 39.000 0.028 0.000 1.040 170 F HN 0.254 nan 8.300 nan 0.000 0.505 171 A N -0.713 122.225 122.820 0.197 0.000 2.019 171 A HA -0.207 4.113 4.320 0.000 0.000 0.219 171 A C 2.019 179.652 177.584 0.082 0.000 1.164 171 A CA 1.650 53.758 52.037 0.118 0.000 0.644 171 A CB -0.710 18.342 19.000 0.086 0.000 0.805 171 A HN 0.425 nan 8.150 nan 0.000 0.449 172 E N -0.553 119.686 120.200 0.065 0.000 2.489 172 E HA 0.331 4.681 4.350 0.000 0.000 0.193 172 E C 0.540 177.162 176.600 0.036 0.000 1.057 172 E CA 0.153 56.576 56.400 0.038 0.000 0.866 172 E CB -0.040 29.671 29.700 0.019 0.000 0.916 172 E HN 0.593 nan 8.360 nan 0.000 0.500 173 A N 0.594 123.451 122.820 0.061 0.000 2.316 173 A HA 0.142 4.462 4.320 0.000 0.000 0.284 173 A C 0.292 177.910 177.584 0.058 0.000 1.115 173 A CA -0.474 51.598 52.037 0.059 0.000 0.812 173 A CB 0.612 19.677 19.000 0.109 0.000 1.064 173 A HN 0.143 nan 8.150 nan 0.000 0.489 174 D N -0.329 120.095 120.400 0.040 0.000 2.327 174 D HA 0.134 4.774 4.640 0.000 0.000 0.205 174 D C -0.311 176.010 176.300 0.035 0.000 0.989 174 D CA 0.934 54.954 54.000 0.033 0.000 0.873 174 D CB 0.350 41.163 40.800 0.022 0.000 0.955 174 D HN 0.293 nan 8.370 nan 0.000 0.515 175 L N 0.802 122.050 121.223 0.041 0.000 2.470 175 L HA 0.434 4.774 4.340 0.000 0.000 0.268 175 L C -1.770 175.137 176.870 0.062 0.000 0.964 175 L CA -0.468 54.395 54.840 0.038 0.000 0.839 175 L CB 2.148 44.219 42.059 0.019 0.000 1.276 175 L HN -0.233 nan 8.230 nan 0.000 0.403 176 I N 5.224 125.830 120.570 0.060 0.000 2.499 176 I HA 0.618 4.788 4.170 0.000 0.000 0.288 176 I C -0.633 175.500 176.117 0.026 0.000 1.048 176 I CA -0.775 60.574 61.300 0.080 0.000 1.062 176 I CB 1.668 39.717 38.000 0.080 0.000 1.238 176 I HN 0.509 nan 8.210 nan 0.000 0.426 177 R N 4.541 125.056 120.500 0.025 0.000 2.771 177 R HA 0.584 4.925 4.340 0.000 0.000 0.274 177 R C -1.169 175.133 176.300 0.002 0.000 0.987 177 R CA -0.877 55.222 56.100 -0.002 0.000 0.908 177 R CB 2.536 32.831 30.300 -0.008 0.000 1.213 177 R HN 0.800 nan 8.270 nan 0.000 0.468 178 E N 0.761 120.954 120.200 -0.012 0.000 2.331 178 E HA 0.608 4.959 4.350 0.000 0.000 0.275 178 E C -1.398 175.190 176.600 -0.020 0.000 0.895 178 E CA -0.949 55.453 56.400 0.003 0.000 0.753 178 E CB 3.065 32.759 29.700 -0.010 0.000 1.216 178 E HN 0.395 nan 8.360 nan 0.000 0.434 179 K N 1.430 121.824 120.400 -0.010 0.000 2.508 179 K HA 0.422 4.743 4.320 0.000 0.000 0.260 179 K C -1.493 175.014 176.600 -0.154 0.000 0.949 179 K CA -0.624 55.573 56.287 -0.150 0.000 0.834 179 K CB 2.590 34.915 32.500 -0.292 0.000 1.365 179 K HN 0.588 nan 8.250 nan 0.000 0.437 180 T N 2.555 116.962 114.554 -0.246 0.000 2.794 180 T HA 0.458 4.808 4.350 0.000 0.000 0.280 180 T C -1.426 173.116 174.700 -0.265 0.000 0.987 180 T CA -0.260 61.775 62.100 -0.109 0.000 0.993 180 T CB 0.257 69.110 68.868 -0.024 0.000 0.939 180 T HN 0.324 nan 8.240 nan 0.000 0.449 181 Y N 1.185 121.513 120.300 0.046 0.000 2.446 181 Y HA 0.581 5.131 4.550 0.000 0.000 0.345 181 Y C 0.813 176.641 175.900 -0.121 0.000 0.984 181 Y CA -1.066 57.008 58.100 -0.043 0.000 1.058 181 Y CB 2.035 40.522 38.460 0.046 0.000 1.220 181 Y HN 0.632 nan 8.280 nan 0.000 0.455 182 T N -0.723 113.721 114.554 -0.183 0.000 2.863 182 T HA 0.777 5.127 4.350 0.000 0.000 0.285 182 T C -1.254 173.118 174.700 -0.546 0.000 1.009 182 T CA -0.783 61.150 62.100 -0.278 0.000 0.989 182 T CB 0.989 69.796 68.868 -0.102 0.000 1.004 182 T HN 0.277 nan 8.240 nan 0.000 0.455 183 F N 1.190 121.001 119.950 -0.232 0.000 2.507 183 F HA 0.696 5.224 4.527 0.000 0.000 0.328 183 F C 0.681 176.404 175.800 -0.128 0.000 1.136 183 F CA -1.143 56.807 58.000 -0.083 0.000 0.930 183 F CB 1.506 40.427 39.000 -0.132 0.000 1.166 183 F HN 0.996 nan 8.300 nan 0.000 0.436 184 A N 2.181 125.134 122.820 0.220 0.000 2.448 184 A HA 0.214 4.534 4.320 0.000 0.000 0.239 184 A C 0.317 178.079 177.584 0.297 0.000 1.080 184 A CA -0.365 51.865 52.037 0.322 0.000 0.779 184 A CB 0.191 19.335 19.000 0.242 0.000 1.026 184 A HN 0.820 nan 8.150 nan 0.000 0.499 185 E N 0.132 120.549 120.200 0.362 0.000 2.373 185 E HA 0.414 4.764 4.350 0.000 0.000 0.267 185 E C -0.431 176.321 176.600 0.253 0.000 1.032 185 E CA -0.378 56.212 56.400 0.318 0.000 0.889 185 E CB 0.598 30.517 29.700 0.365 0.000 0.984 185 E HN 0.608 nan 8.360 nan 0.000 0.425 186 V N 1.501 121.555 119.914 0.234 0.000 3.074 186 V HA 0.562 4.682 4.120 0.000 0.000 0.314 186 V C -0.442 175.768 176.094 0.193 0.000 1.117 186 V CA -1.179 61.274 62.300 0.254 0.000 1.014 186 V CB 1.789 33.713 31.823 0.169 0.000 1.057 186 V HN 0.771 nan 8.190 nan 0.000 0.438 187 N N -0.287 118.485 118.700 0.121 0.000 2.335 187 N HA 0.409 5.149 4.740 0.000 0.000 0.304 187 N C 0.590 176.009 175.510 -0.152 0.000 1.135 187 N CA -0.548 52.467 53.050 -0.059 0.000 0.817 187 N CB 1.854 40.302 38.487 -0.065 0.000 1.294 187 N HN 0.921 nan 8.380 nan 0.000 0.497 188 H N 0.874 119.923 119.070 -0.036 0.000 2.423 188 H HA -0.017 4.539 4.556 0.000 0.000 0.297 188 H C 0.504 175.785 175.328 -0.079 0.000 1.075 188 H CA 0.929 56.978 56.048 0.001 0.000 1.342 188 H CB 0.224 30.092 29.762 0.176 0.000 1.395 188 H HN 0.341 nan 8.280 nan 0.000 0.530 189 V N 3.663 123.504 119.914 -0.122 0.000 5.726 189 V HA -0.281 3.840 4.120 0.000 0.000 0.260 189 V C 0.579 176.627 176.094 -0.077 0.000 0.657 189 V CA 1.078 63.222 62.300 -0.260 0.000 0.584 189 V CB -2.517 29.255 31.823 -0.085 0.000 0.241 189 V HN 0.646 nan 8.190 nan 0.000 0.652 190 H N 1.137 120.337 119.070 0.217 0.000 2.815 190 H HA 0.271 4.827 4.556 0.000 0.000 0.350 190 H C 1.105 176.512 175.328 0.131 0.000 1.080 190 H CA -0.340 55.911 56.048 0.340 0.000 1.433 190 H CB 0.790 30.695 29.762 0.238 0.000 1.432 190 H HN 0.263 nan 8.280 nan 0.000 0.592 191 M N 0.730 120.473 119.600 0.238 0.000 2.374 191 M HA -0.056 4.424 4.480 0.000 0.000 0.264 191 M C 0.824 177.164 176.300 0.067 0.000 1.067 191 M CA 0.803 56.163 55.300 0.100 0.000 1.103 191 M CB -0.898 31.743 32.600 0.068 0.000 1.402 191 M HN 0.740 nan 8.290 nan 0.000 0.444 192 E N 1.489 121.763 120.200 0.123 0.000 2.259 192 E HA 0.291 4.641 4.350 0.000 0.000 0.281 192 E C -0.830 175.849 176.600 0.131 0.000 1.027 192 E CA -0.277 56.151 56.400 0.046 0.000 0.838 192 E CB 0.912 30.605 29.700 -0.012 0.000 1.066 192 E HN 0.256 nan 8.360 nan 0.000 0.401 193 L N 3.756 124.997 121.223 0.030 0.000 2.439 193 L HA 0.134 4.474 4.340 0.000 0.000 0.269 193 L C 0.688 177.535 176.870 -0.039 0.000 1.179 193 L CA -0.675 54.165 54.840 -0.001 0.000 0.828 193 L CB 0.265 42.299 42.059 -0.042 0.000 1.106 193 L HN 0.579 nan 8.230 nan 0.000 0.467 194 N N 1.578 120.205 118.700 -0.120 0.000 2.441 194 N HA 0.458 5.198 4.740 0.000 0.000 0.251 194 N C -0.407 174.869 175.510 -0.390 0.000 1.242 194 N CA 0.167 53.015 53.050 -0.337 0.000 0.898 194 N CB 1.112 39.128 38.487 -0.784 0.000 1.100 194 N HN 0.729 nan 8.380 nan 0.000 0.443 195 A N 0.635 123.306 122.820 -0.248 0.000 2.594 195 A HA 0.649 4.969 4.320 0.000 0.000 0.296 195 A C -1.062 176.604 177.584 0.138 0.000 1.056 195 A CA -0.665 51.328 52.037 -0.074 0.000 0.693 195 A CB 1.144 20.133 19.000 -0.019 0.000 1.278 195 A HN 0.443 nan 8.150 nan 0.000 0.408 196 T N 1.368 116.013 114.554 0.153 0.000 2.952 196 T HA 0.551 4.901 4.350 0.000 0.000 0.305 196 T C -1.454 173.299 174.700 0.088 0.000 1.064 196 T CA -0.304 61.887 62.100 0.152 0.000 1.008 196 T CB 1.332 70.313 68.868 0.188 0.000 1.078 196 T HN 1.122 nan 8.240 nan 0.000 0.459 197 L N 3.514 124.774 121.223 0.062 0.000 2.298 197 L HA 0.857 5.197 4.340 0.000 0.000 0.284 197 L C -0.584 176.308 176.870 0.038 0.000 1.013 197 L CA -0.475 54.394 54.840 0.047 0.000 0.824 197 L CB 0.526 42.609 42.059 0.040 0.000 1.221 197 L HN 0.778 nan 8.230 nan 0.000 0.418 198 A N 4.739 127.585 122.820 0.042 0.000 2.304 198 A HA 0.590 4.910 4.320 0.000 0.000 0.314 198 A C -0.600 177.018 177.584 0.057 0.000 1.187 198 A CA -0.534 51.528 52.037 0.041 0.000 0.810 198 A CB 0.624 19.647 19.000 0.039 0.000 1.183 198 A HN 0.713 nan 8.150 nan 0.000 0.487 199 E N 2.896 123.129 120.200 0.055 0.000 2.102 199 E HA 0.342 4.692 4.350 0.000 0.000 0.263 199 E C -1.866 174.787 176.600 0.088 0.000 0.894 199 E CA -0.428 56.007 56.400 0.059 0.000 0.746 199 E CB 0.782 30.494 29.700 0.021 0.000 1.129 199 E HN 0.631 nan 8.360 nan 0.000 0.416 200 Y N 4.004 124.300 120.300 -0.006 0.000 2.328 200 Y HA 0.243 4.793 4.550 0.000 0.000 0.337 200 Y C -0.690 175.208 175.900 -0.003 0.000 1.008 200 Y CA -0.932 57.164 58.100 -0.007 0.000 1.129 200 Y CB 1.189 39.647 38.460 -0.004 0.000 1.185 200 Y HN 0.413 nan 8.280 nan 0.000 0.476 201 D N 8.930 128.931 120.400 -0.665 0.000 2.443 201 D HA 0.240 4.881 4.640 0.000 0.000 0.221 201 D C -2.026 173.819 176.300 -0.760 0.000 1.097 201 D CA -2.621 51.084 54.000 -0.492 0.000 0.865 201 D CB 1.637 42.259 40.800 -0.297 0.000 1.034 201 D HN 0.380 nan 8.370 nan 0.000 0.511 202 P HA -0.094 nan 4.420 nan 0.000 0.229 202 P C 1.414 178.643 177.300 -0.118 0.000 1.160 202 P CA 0.211 63.179 63.100 -0.220 0.000 0.777 202 P CB 0.616 32.366 31.700 0.082 0.000 0.814 203 V N 1.017 120.858 119.914 -0.122 0.000 2.358 203 V HA -0.129 3.991 4.120 0.000 0.000 0.246 203 V C 2.494 178.543 176.094 -0.074 0.000 1.047 203 V CA 1.844 64.102 62.300 -0.070 0.000 1.035 203 V CB -1.016 30.771 31.823 -0.059 0.000 0.658 203 V HN 0.136 nan 8.190 nan 0.000 0.452 204 R N -0.505 119.923 120.500 -0.120 0.000 2.334 204 R HA 0.153 4.493 4.340 0.000 0.000 0.212 204 R C 0.416 176.656 176.300 -0.100 0.000 0.897 204 R CA 0.479 56.523 56.100 -0.094 0.000 1.056 204 R CB 0.118 30.364 30.300 -0.091 0.000 1.046 204 R HN 0.478 nan 8.270 nan 0.000 0.513 205 D N 0.986 121.276 120.400 -0.185 0.000 2.828 205 D HA -0.155 4.485 4.640 0.000 0.000 0.241 205 D C -0.899 175.350 176.300 -0.085 0.000 1.142 205 D CA 0.833 54.763 54.000 -0.116 0.000 0.755 205 D CB -0.297 40.550 40.800 0.079 0.000 1.014 205 D HN 0.018 nan 8.370 nan 0.000 0.420 206 M N 0.952 120.402 119.600 -0.251 0.000 2.518 206 M HA 0.587 5.067 4.480 0.000 0.000 0.300 206 M C -0.591 175.654 176.300 -0.091 0.000 1.175 206 M CA -1.090 54.146 55.300 -0.105 0.000 0.890 206 M CB 1.698 34.237 32.600 -0.102 0.000 1.710 206 M HN 0.238 nan 8.290 nan 0.000 0.453 207 L N 1.556 122.799 121.223 0.032 0.000 2.385 207 L HA 0.729 5.069 4.340 0.000 0.000 0.273 207 L C -0.952 175.917 176.870 -0.002 0.000 0.990 207 L CA 0.296 55.184 54.840 0.079 0.000 0.821 207 L CB 2.160 44.311 42.059 0.154 0.000 1.279 207 L HN 0.741 nan 8.230 nan 0.000 0.412 208 T N 6.072 120.624 114.554 -0.003 0.000 2.809 208 T HA 0.643 4.993 4.350 0.000 0.000 0.284 208 T C -0.630 174.057 174.700 -0.021 0.000 0.992 208 T CA -0.315 61.768 62.100 -0.028 0.000 0.957 208 T CB 0.874 69.728 68.868 -0.023 0.000 0.942 208 T HN 0.441 nan 8.240 nan 0.000 0.439 209 L N 3.582 124.777 121.223 -0.046 0.000 2.346 209 L HA 0.604 4.944 4.340 0.000 0.000 0.274 209 L C 0.042 176.896 176.870 -0.026 0.000 1.007 209 L CA -0.995 53.825 54.840 -0.033 0.000 0.818 209 L CB 1.590 43.615 42.059 -0.056 0.000 1.284 209 L HN 0.481 nan 8.230 nan 0.000 0.424 210 N N 0.929 119.627 118.700 -0.004 0.000 2.399 210 N HA 0.471 5.211 4.740 0.000 0.000 0.280 210 N C -1.170 174.354 175.510 0.023 0.000 1.008 210 N CA -0.102 52.951 53.050 0.005 0.000 0.894 210 N CB 2.667 41.163 38.487 0.016 0.000 1.273 210 N HN 0.558 nan 8.380 nan 0.000 0.486 211 T N -0.580 113.986 114.554 0.020 0.000 2.868 211 T HA 0.272 4.622 4.350 0.000 0.000 0.306 211 T C -0.531 174.200 174.700 0.051 0.000 1.224 211 T CA -0.500 61.630 62.100 0.050 0.000 1.012 211 T CB 1.018 69.898 68.868 0.021 0.000 1.221 211 T HN 0.418 nan 8.240 nan 0.000 0.499 212 T N 1.081 115.696 114.554 0.101 0.000 3.781 212 T HA 0.463 4.813 4.350 0.000 0.000 0.286 212 T C 0.190 174.900 174.700 0.016 0.000 1.277 212 T CA -0.406 61.729 62.100 0.058 0.000 1.136 212 T CB -0.588 68.316 68.868 0.060 0.000 1.202 212 T HN 0.554 nan 8.240 nan 0.000 0.884 213 T N 1.415 115.956 114.554 -0.022 0.000 2.906 213 T HA 0.359 4.709 4.350 0.000 0.000 0.295 213 T C 0.516 175.179 174.700 -0.061 0.000 1.061 213 T CA -0.701 61.372 62.100 -0.046 0.000 1.000 213 T CB 2.030 70.873 68.868 -0.043 0.000 1.103 213 T HN 0.487 nan 8.240 nan 0.000 0.486 214 Q N 1.173 120.937 119.800 -0.059 0.000 2.356 214 Q HA 0.227 4.567 4.340 0.000 0.000 0.205 214 Q C 0.541 176.521 176.000 -0.034 0.000 0.901 214 Q CA 0.127 55.897 55.803 -0.054 0.000 0.938 214 Q CB 0.729 29.441 28.738 -0.043 0.000 1.081 214 Q HN 0.534 nan 8.270 nan 0.000 0.517 215 V N -2.442 117.449 119.914 -0.039 0.000 2.405 215 V HA 0.284 4.404 4.120 0.000 0.000 0.253 215 V C -2.275 173.797 176.094 -0.037 0.000 0.963 215 V CA -1.648 60.594 62.300 -0.096 0.000 1.003 215 V CB 0.617 32.321 31.823 -0.198 0.000 1.251 215 V HN -0.093 nan 8.190 nan 0.000 0.520 216 P HA -0.235 nan 4.420 nan 0.000 0.219 216 P C 1.393 178.777 177.300 0.141 0.000 1.146 216 P CA 1.588 64.715 63.100 0.044 0.000 0.808 216 P CB 0.242 31.961 31.700 0.032 0.000 0.779 217 Y N -0.202 120.091 120.300 -0.011 0.000 2.145 217 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 217 Y C 2.467 178.455 175.900 0.147 0.000 1.145 217 Y CA 1.442 59.563 58.100 0.036 0.000 1.148 217 Y CB -0.738 37.705 38.460 -0.028 0.000 0.981 217 Y HN -0.219 nan 8.280 nan 0.000 0.507 218 Y N -0.136 120.093 120.300 -0.119 0.000 2.181 218 Y HA -0.226 4.324 4.550 0.000 0.000 0.288 218 Y C 2.672 178.466 175.900 -0.176 0.000 1.146 218 Y CA 0.942 58.894 58.100 -0.246 0.000 1.164 218 Y CB -1.312 37.088 38.460 -0.100 0.000 0.982 218 Y HN 0.063 nan 8.280 nan 0.000 0.515 219 V N -0.323 119.625 119.914 0.057 0.000 2.332 219 V HA -0.313 3.807 4.120 0.000 0.000 0.248 219 V C 2.469 178.552 176.094 -0.018 0.000 1.055 219 V CA 2.258 64.534 62.300 -0.039 0.000 1.038 219 V CB -0.745 31.041 31.823 -0.061 0.000 0.651 219 V HN 0.435 nan 8.190 nan 0.000 0.450 220 H N 0.070 119.103 119.070 -0.062 0.000 2.319 220 H HA -0.118 4.438 4.556 0.000 0.000 0.299 220 H C 2.206 177.475 175.328 -0.098 0.000 1.092 220 H CA 2.071 58.087 56.048 -0.052 0.000 1.302 220 H CB -0.200 29.567 29.762 0.008 0.000 1.373 220 H HN 0.334 nan 8.280 nan 0.000 0.497 221 L N 0.166 121.378 121.223 -0.018 0.000 2.027 221 L HA -0.169 4.172 4.340 0.000 0.000 0.206 221 L C 2.627 179.447 176.870 -0.084 0.000 1.074 221 L CA 1.170 55.929 54.840 -0.134 0.000 0.745 221 L CB -0.276 41.560 42.059 -0.371 0.000 0.898 221 L HN 0.089 nan 8.230 nan 0.000 0.433 222 K N -0.180 120.161 120.400 -0.098 0.000 2.155 222 K HA -0.023 4.297 4.320 0.000 0.000 0.203 222 K C 2.096 178.636 176.600 -0.100 0.000 1.052 222 K CA 0.809 57.035 56.287 -0.101 0.000 0.948 222 K CB -0.614 31.781 32.500 -0.175 0.000 0.728 222 K HN 0.128 nan 8.250 nan 0.000 0.448 223 V N 1.633 121.488 119.914 -0.098 0.000 2.358 223 V HA -0.199 3.921 4.120 0.000 0.000 0.246 223 V C 2.411 178.486 176.094 -0.032 0.000 1.047 223 V CA 1.877 64.124 62.300 -0.087 0.000 1.035 223 V CB -0.727 31.036 31.823 -0.100 0.000 0.658 223 V HN 0.259 nan 8.190 nan 0.000 0.452 224 A N -0.015 122.809 122.820 0.005 0.000 1.877 224 A HA -0.120 4.200 4.320 0.000 0.000 0.216 224 A C 2.409 180.003 177.584 0.017 0.000 1.186 224 A CA 2.171 54.227 52.037 0.031 0.000 0.620 224 A CB -0.801 18.244 19.000 0.074 0.000 0.822 224 A HN 0.557 nan 8.150 nan 0.000 0.443 225 A N -1.168 121.656 122.820 0.006 0.000 1.898 225 A HA -0.134 4.186 4.320 0.000 0.000 0.216 225 A C 2.278 179.881 177.584 0.032 0.000 1.181 225 A CA 1.642 53.689 52.037 0.016 0.000 0.620 225 A CB -1.191 17.817 19.000 0.012 0.000 0.819 225 A HN 0.599 nan 8.150 nan 0.000 0.442 226 C N -0.701 118.614 119.300 0.026 0.000 2.446 226 C HA 0.104 4.564 4.460 0.000 0.000 0.279 226 C C 2.244 177.256 174.990 0.036 0.000 1.366 226 C CA 0.595 59.644 59.018 0.051 0.000 1.763 226 C CB -1.210 26.554 27.740 0.039 0.000 1.929 226 C HN 0.570 nan 8.230 nan 0.000 0.509 227 L N -0.220 121.008 121.223 0.009 0.000 2.592 227 L HA 0.082 4.422 4.340 0.000 0.000 0.227 227 L C 0.659 177.535 176.870 0.009 0.000 1.127 227 L CA 0.438 55.277 54.840 -0.001 0.000 0.884 227 L CB -0.595 41.451 42.059 -0.022 0.000 1.065 227 L HN 0.419 nan 8.230 nan 0.000 0.457 228 Q N 0.657 120.470 119.800 0.021 0.000 2.452 228 Q HA -0.201 4.139 4.340 0.000 0.000 0.318 228 Q C -0.149 175.866 176.000 0.025 0.000 1.386 228 Q CA 0.753 56.571 55.803 0.025 0.000 0.872 228 Q CB -1.038 27.716 28.738 0.026 0.000 1.151 228 Q HN 0.467 nan 8.270 nan 0.000 0.417 229 M N 0.592 120.209 119.600 0.028 0.000 2.393 229 M HA 0.286 4.766 4.480 0.000 0.000 0.316 229 M C -0.511 175.817 176.300 0.048 0.000 1.087 229 M CA -0.728 54.596 55.300 0.040 0.000 0.937 229 M CB 1.415 34.041 32.600 0.042 0.000 1.668 229 M HN 0.143 nan 8.290 nan 0.000 0.438 230 D N 1.553 121.983 120.400 0.050 0.000 2.488 230 D HA -0.021 4.619 4.640 0.000 0.000 0.238 230 D C 1.035 177.380 176.300 0.075 0.000 1.138 230 D CA 0.732 54.763 54.000 0.051 0.000 0.873 230 D CB 1.102 41.929 40.800 0.043 0.000 1.183 230 D HN 0.634 nan 8.370 nan 0.000 0.458 231 S N 2.523 118.272 115.700 0.082 0.000 2.442 231 S HA -0.193 4.277 4.470 0.000 0.000 0.236 231 S C 1.848 176.565 174.600 0.195 0.000 1.007 231 S CA 0.573 58.868 58.200 0.157 0.000 0.965 231 S CB -0.198 63.039 63.200 0.061 0.000 0.773 231 S HN 0.526 nan 8.310 nan 0.000 0.504 232 A N 1.235 124.115 122.820 0.101 0.000 2.235 232 A HA 0.231 4.551 4.320 0.000 0.000 0.208 232 A C 2.073 179.703 177.584 0.077 0.000 1.172 232 A CA 0.201 52.288 52.037 0.083 0.000 0.786 232 A CB -0.292 18.735 19.000 0.044 0.000 0.804 232 A HN 0.534 nan 8.150 nan 0.000 0.479 233 R N -0.934 119.614 120.500 0.080 0.000 2.397 233 R HA 0.393 4.733 4.340 0.000 0.000 0.241 233 R C -0.606 175.719 176.300 0.042 0.000 0.914 233 R CA 0.066 56.198 56.100 0.054 0.000 1.071 233 R CB 0.405 30.741 30.300 0.061 0.000 1.116 233 R HN 0.406 nan 8.270 nan 0.000 0.524 234 I N 0.798 121.397 120.570 0.049 0.000 2.474 234 I HA 0.348 4.519 4.170 0.000 0.000 0.294 234 I C -0.308 175.710 176.117 -0.164 0.000 1.005 234 I CA -0.947 60.306 61.300 -0.077 0.000 1.113 234 I CB 1.943 39.850 38.000 -0.155 0.000 1.289 234 I HN -0.120 nan 8.210 nan 0.000 0.436 235 R N 5.499 125.887 120.500 -0.187 0.000 2.513 235 R HA 0.723 5.063 4.340 0.000 0.000 0.301 235 R C -2.046 174.143 176.300 -0.186 0.000 0.968 235 R CA -0.477 55.542 56.100 -0.133 0.000 0.872 235 R CB 2.004 32.280 30.300 -0.040 0.000 1.177 235 R HN 0.462 nan 8.270 nan 0.000 0.444 236 V N 6.507 126.320 119.914 -0.167 0.000 2.448 236 V HA 0.511 4.631 4.120 0.000 0.000 0.295 236 V C -0.180 175.894 176.094 -0.033 0.000 1.025 236 V CA -0.655 61.577 62.300 -0.112 0.000 0.859 236 V CB 1.775 33.528 31.823 -0.117 0.000 0.988 236 V HN 0.685 nan 8.190 nan 0.000 0.431 237 I N 4.309 124.857 120.570 -0.036 0.000 2.465 237 I HA 0.476 4.646 4.170 0.000 0.000 0.291 237 I C -0.204 175.892 176.117 -0.035 0.000 1.014 237 I CA -0.636 60.645 61.300 -0.031 0.000 1.093 237 I CB 2.046 40.029 38.000 -0.029 0.000 1.267 237 I HN 0.495 nan 8.210 nan 0.000 0.431 238 K N 8.465 128.835 120.400 -0.050 0.000 2.281 238 K HA 0.466 4.786 4.320 0.000 0.000 0.272 238 K C -2.439 174.103 176.600 -0.096 0.000 1.048 238 K CA -1.472 54.778 56.287 -0.061 0.000 0.898 238 K CB 1.391 33.846 32.500 -0.074 0.000 1.128 238 K HN 0.285 nan 8.250 nan 0.000 0.460 239 P HA 0.116 nan 4.420 nan 0.000 0.341 239 P C -0.149 177.041 177.300 -0.182 0.000 1.332 239 P CA -0.433 62.611 63.100 -0.092 0.000 0.769 239 P CB 0.341 32.039 31.700 -0.003 0.000 1.726 240 F N -1.014 118.763 119.950 -0.288 0.000 2.553 240 F HA 0.160 4.688 4.527 0.001 0.000 0.356 240 F C 0.976 176.622 175.800 -0.258 0.000 1.142 240 F CA 0.356 58.083 58.000 -0.455 0.000 1.322 240 F CB 0.038 38.406 39.000 -1.053 0.000 1.126 240 F HN 0.003 nan 8.300 nan 0.000 0.599 241 L N 2.505 123.777 121.223 0.083 0.000 2.356 241 L HA 0.542 4.882 4.340 0.000 0.000 0.277 241 L C 0.272 177.341 176.870 0.332 0.000 0.996 241 L CA -0.176 54.784 54.840 0.199 0.000 0.822 241 L CB 1.761 43.824 42.059 0.005 0.000 1.256 241 L HN 0.594 nan 8.230 nan 0.000 0.413 242 G N 3.501 112.490 108.800 0.315 0.000 3.401 242 G HA2 0.481 4.441 3.960 0.000 0.000 0.251 242 G HA3 0.481 4.441 3.960 0.000 0.000 0.251 242 G C 0.525 175.453 174.900 0.046 0.000 0.960 242 G CA 0.377 45.569 45.100 0.154 0.000 1.900 242 G HN 1.230 nan 8.290 nan 0.000 0.645 243 G N -0.771 107.993 108.800 -0.061 0.000 2.828 243 G HA2 0.338 4.298 3.960 0.000 0.000 0.463 243 G HA3 0.338 4.298 3.960 0.000 0.000 0.463 243 G C 0.674 175.310 174.900 -0.441 0.000 1.394 243 G CA -0.010 44.883 45.100 -0.346 0.000 0.862 243 G HN 1.518 nan 8.290 nan 0.000 0.540 244 G N -3.050 105.294 108.800 -0.759 0.000 3.990 244 G HA2 0.491 4.451 3.960 0.000 0.000 0.204 244 G HA3 0.491 4.451 3.960 0.000 0.000 0.204 244 G C 0.700 175.518 174.900 -0.137 0.000 1.420 244 G CA 0.779 45.642 45.100 -0.395 0.000 0.942 244 G HN 1.909 nan 8.290 nan 0.000 0.606 245 F N 0.754 120.740 119.950 0.061 0.000 3.069 245 F HA -0.119 4.408 4.527 0.000 0.000 0.285 245 F C 1.946 177.815 175.800 0.114 0.000 0.827 245 F CA 1.520 59.579 58.000 0.098 0.000 1.108 245 F CB -1.629 37.476 39.000 0.175 0.000 1.252 245 F HN 1.495 nan 8.300 nan 0.000 0.483 246 G N -1.755 107.090 108.800 0.075 0.000 2.391 246 G HA2 0.002 3.963 3.960 0.000 0.000 0.204 246 G HA3 0.002 3.963 3.960 0.000 0.000 0.204 246 G C 1.128 175.955 174.900 -0.122 0.000 1.012 246 G CA 0.428 45.540 45.100 0.019 0.000 0.651 246 G HN 1.290 nan 8.290 nan 0.000 0.494 247 A N 0.562 123.068 122.820 -0.525 0.000 1.986 247 A HA 0.076 4.396 4.320 0.000 0.000 0.220 247 A C 1.954 179.433 177.584 -0.175 0.000 1.171 247 A CA 2.083 53.709 52.037 -0.684 0.000 0.640 247 A CB -0.302 18.233 19.000 -0.774 0.000 0.811 247 A HN 0.561 nan 8.150 nan 0.000 0.451 248 R N -0.242 120.176 120.500 -0.137 0.000 2.694 248 R HA 0.143 4.483 4.340 0.000 0.000 0.334 248 R C 0.538 176.844 176.300 0.010 0.000 1.143 248 R CA 0.624 56.687 56.100 -0.061 0.000 1.073 248 R CB -0.072 30.152 30.300 -0.127 0.000 1.366 248 R HN 0.518 nan 8.270 nan 0.000 0.577 249 T N -2.130 112.475 114.554 0.086 0.000 3.206 249 T HA 0.080 4.430 4.350 0.000 0.000 0.253 249 T C 0.177 175.092 174.700 0.358 0.000 1.042 249 T CA -0.404 61.818 62.100 0.203 0.000 0.931 249 T CB -0.228 68.767 68.868 0.210 0.000 1.029 249 T HN 0.386 nan 8.240 nan 0.000 0.564 250 E N 0.208 120.552 120.200 0.240 0.000 2.356 250 E HA 0.669 5.019 4.350 0.000 0.000 0.275 250 E C -1.036 175.597 176.600 0.056 0.000 0.904 250 E CA -1.569 54.937 56.400 0.176 0.000 0.757 250 E CB 1.646 31.414 29.700 0.114 0.000 1.232 250 E HN 0.087 nan 8.360 nan 0.000 0.442 251 A N 3.408 126.226 122.820 -0.002 0.000 2.524 251 A HA 0.329 4.649 4.320 0.000 0.000 0.250 251 A C -0.209 177.202 177.584 -0.288 0.000 1.078 251 A CA -0.152 51.780 52.037 -0.175 0.000 0.761 251 A CB -0.104 18.757 19.000 -0.231 0.000 1.012 251 A HN 0.557 nan 8.150 nan 0.000 0.500 252 L N 2.223 123.171 121.223 -0.458 0.000 2.334 252 L HA 0.341 4.681 4.340 0.000 0.000 0.275 252 L C 1.592 177.995 176.870 -0.780 0.000 1.036 252 L CA -0.725 53.773 54.840 -0.570 0.000 0.807 252 L CB 1.399 42.981 42.059 -0.795 0.000 1.231 252 L HN 1.066 nan 8.230 nan 0.000 0.438 253 H N 0.988 119.859 119.070 -0.331 0.000 2.353 253 H HA -0.272 4.284 4.556 0.000 0.000 0.298 253 H C 1.649 176.862 175.328 -0.192 0.000 1.103 253 H CA 2.238 58.164 56.048 -0.204 0.000 1.293 253 H CB -0.795 29.069 29.762 0.169 0.000 1.372 253 H HN 0.607 nan 8.280 nan 0.000 0.501 254 F N 1.245 121.017 119.950 -0.297 0.000 2.269 254 F HA 0.027 4.555 4.527 0.000 0.000 0.301 254 F C 1.757 177.510 175.800 -0.078 0.000 1.082 254 F CA 0.921 58.875 58.000 -0.077 0.000 1.360 254 F CB -0.445 38.494 39.000 -0.102 0.000 1.041 254 F HN 0.206 nan 8.300 nan 0.000 0.512 255 E N 1.378 121.185 120.200 -0.656 0.000 2.072 255 E HA -0.095 4.255 4.350 0.000 0.000 0.190 255 E C 2.294 178.763 176.600 -0.219 0.000 0.982 255 E CA 1.488 57.678 56.400 -0.350 0.000 0.803 255 E CB -0.308 29.108 29.700 -0.474 0.000 0.755 255 E HN 0.512 nan 8.360 nan 0.000 0.453 256 I N 1.148 121.546 120.570 -0.286 0.000 2.252 256 I HA -0.236 3.934 4.170 0.000 0.000 0.245 256 I C 2.396 178.464 176.117 -0.082 0.000 1.102 256 I CA 0.990 62.169 61.300 -0.201 0.000 1.385 256 I CB -0.192 37.629 38.000 -0.299 0.000 1.064 256 I HN 0.063 nan 8.210 nan 0.000 0.414 257 I N 0.904 121.458 120.570 -0.026 0.000 2.226 257 I HA -0.303 3.867 4.170 0.000 0.000 0.245 257 I C 2.824 178.963 176.117 0.035 0.000 1.100 257 I CA 1.339 62.665 61.300 0.042 0.000 1.374 257 I CB -0.503 37.569 38.000 0.120 0.000 1.057 257 I HN 0.193 nan 8.210 nan 0.000 0.413 258 A N 0.990 123.837 122.820 0.044 0.000 1.883 258 A HA -0.173 4.147 4.320 0.000 0.000 0.217 258 A C 2.453 180.046 177.584 0.014 0.000 1.186 258 A CA 2.088 54.154 52.037 0.048 0.000 0.624 258 A CB -1.497 17.545 19.000 0.070 0.000 0.822 258 A HN 0.468 nan 8.150 nan 0.000 0.444 259 G N -0.378 108.414 108.800 -0.013 0.000 2.418 259 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 259 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 259 G C 1.511 176.379 174.900 -0.054 0.000 1.158 259 G CA 1.169 46.254 45.100 -0.026 0.000 0.771 259 G HN 0.512 nan 8.290 nan 0.000 0.545 260 L N 0.382 121.576 121.223 -0.048 0.000 2.012 260 L HA 0.045 4.386 4.340 0.000 0.000 0.210 260 L C 2.723 179.552 176.870 -0.069 0.000 1.073 260 L CA 1.462 56.265 54.840 -0.060 0.000 0.748 260 L CB -0.365 41.680 42.059 -0.023 0.000 0.891 260 L HN 0.207 nan 8.230 nan 0.000 0.431 261 L N -0.789 120.416 121.223 -0.029 0.000 2.046 261 L HA -0.177 4.163 4.340 0.000 0.000 0.208 261 L C 2.700 179.552 176.870 -0.029 0.000 1.077 261 L CA 1.157 55.986 54.840 -0.018 0.000 0.747 261 L CB -0.931 41.137 42.059 0.014 0.000 0.896 261 L HN 0.399 nan 8.230 nan 0.000 0.432 262 A N 0.127 122.935 122.820 -0.019 0.000 1.877 262 A HA -0.266 4.054 4.320 0.000 0.000 0.216 262 A C 2.419 179.962 177.584 -0.068 0.000 1.186 262 A CA 1.951 53.999 52.037 0.019 0.000 0.620 262 A CB -0.597 18.450 19.000 0.078 0.000 0.822 262 A HN 0.351 nan 8.150 nan 0.000 0.443 263 R N -0.436 119.879 120.500 -0.308 0.000 2.073 263 R HA -0.189 4.151 4.340 0.000 0.000 0.234 263 R C 2.222 178.280 176.300 -0.404 0.000 1.134 263 R CA 2.014 57.619 56.100 -0.824 0.000 0.952 263 R CB -0.229 29.593 30.300 -0.797 0.000 0.850 263 R HN 0.375 nan 8.270 nan 0.000 0.433 264 K N 0.194 120.470 120.400 -0.207 0.000 2.057 264 K HA -0.058 4.262 4.320 0.000 0.000 0.207 264 K C 1.603 178.173 176.600 -0.050 0.000 1.049 264 K CA 1.740 57.963 56.287 -0.107 0.000 0.931 264 K CB -0.218 32.243 32.500 -0.066 0.000 0.714 264 K HN 0.302 nan 8.250 nan 0.000 0.440 265 A N 0.331 123.136 122.820 -0.026 0.000 2.208 265 A HA 0.053 4.373 4.320 0.000 0.000 0.209 265 A C 0.042 177.662 177.584 0.059 0.000 1.161 265 A CA 0.735 52.782 52.037 0.018 0.000 0.782 265 A CB -0.345 18.671 19.000 0.026 0.000 0.816 265 A HN 0.419 nan 8.150 nan 0.000 0.477 266 K N -1.566 118.890 120.400 0.093 0.000 3.071 266 K HA -0.196 4.125 4.320 0.000 0.000 0.265 266 K C 0.565 177.297 176.600 0.219 0.000 1.060 266 K CA 0.373 56.807 56.287 0.246 0.000 0.767 266 K CB -2.003 30.595 32.500 0.163 0.000 1.241 266 K HN 0.829 nan 8.250 nan 0.000 0.486 267 G N -0.939 107.983 108.800 0.202 0.000 2.726 267 G HA2 0.437 4.397 3.960 0.000 0.000 0.198 267 G HA3 0.437 4.397 3.960 0.000 0.000 0.198 267 G C -1.257 173.716 174.900 0.122 0.000 1.195 267 G CA -0.366 44.812 45.100 0.129 0.000 0.951 267 G HN -0.027 nan 8.290 nan 0.000 0.532 268 T N 0.351 114.951 114.554 0.075 0.000 2.797 268 T HA 0.626 4.976 4.350 0.000 0.000 0.279 268 T C -0.902 173.830 174.700 0.052 0.000 0.991 268 T CA -0.200 61.938 62.100 0.063 0.000 0.979 268 T CB 1.716 70.610 68.868 0.044 0.000 0.943 268 T HN 0.436 nan 8.240 nan 0.000 0.444 269 V N 3.667 123.613 119.914 0.052 0.000 2.531 269 V HA 0.522 4.642 4.120 0.000 0.000 0.301 269 V C -0.047 176.075 176.094 0.046 0.000 1.034 269 V CA -0.991 61.336 62.300 0.045 0.000 0.865 269 V CB 1.906 33.755 31.823 0.044 0.000 0.995 269 V HN 0.726 nan 8.190 nan 0.000 0.424 270 R N 4.391 124.916 120.500 0.042 0.000 2.215 270 R HA 0.557 4.897 4.340 0.000 0.000 0.336 270 R C -1.427 174.899 176.300 0.043 0.000 0.996 270 R CA -0.672 55.453 56.100 0.042 0.000 0.847 270 R CB 1.000 31.321 30.300 0.034 0.000 1.127 270 R HN 0.521 nan 8.270 nan 0.000 0.465 271 L N 7.137 128.393 121.223 0.055 0.000 2.301 271 L HA 0.390 4.730 4.340 0.000 0.000 0.278 271 L C -1.280 175.604 176.870 0.023 0.000 1.022 271 L CA -0.447 54.428 54.840 0.058 0.000 0.854 271 L CB 1.039 43.159 42.059 0.103 0.000 1.226 271 L HN 0.628 nan 8.230 nan 0.000 0.429 272 L N 3.907 125.128 121.223 -0.003 0.000 2.379 272 L HA 0.530 4.870 4.340 0.000 0.000 0.269 272 L C -0.016 176.806 176.870 -0.080 0.000 1.084 272 L CA -0.704 54.109 54.840 -0.045 0.000 0.802 272 L CB 1.333 43.380 42.059 -0.020 0.000 1.175 272 L HN 0.494 nan 8.230 nan 0.000 0.448 273 Q N 0.885 120.599 119.800 -0.144 0.000 2.345 273 Q HA 0.387 4.727 4.340 0.000 0.000 0.268 273 Q C -0.233 175.721 176.000 -0.076 0.000 1.054 273 Q CA -0.527 55.190 55.803 -0.144 0.000 0.835 273 Q CB 2.383 30.932 28.738 -0.315 0.000 1.339 273 Q HN 0.777 nan 8.270 nan 0.000 0.447 274 T N -1.589 112.949 114.554 -0.026 0.000 2.788 274 T HA 0.263 4.613 4.350 0.000 0.000 0.280 274 T C 1.069 175.775 174.700 0.010 0.000 0.984 274 T CA -0.493 61.608 62.100 0.002 0.000 0.972 274 T CB 1.064 69.949 68.868 0.028 0.000 1.039 274 T HN 0.528 nan 8.240 nan 0.000 0.530 275 R N 0.387 120.908 120.500 0.035 0.000 2.092 275 R HA -0.064 4.276 4.340 0.000 0.000 0.231 275 R C 2.274 178.674 176.300 0.166 0.000 1.119 275 R CA 2.094 58.225 56.100 0.051 0.000 0.970 275 R CB -1.068 29.288 30.300 0.095 0.000 0.864 275 R HN 0.926 nan 8.270 nan 0.000 0.440 276 E N 0.423 120.732 120.200 0.183 0.000 2.077 276 E HA -0.222 4.128 4.350 0.000 0.000 0.193 276 E C 1.492 178.215 176.600 0.205 0.000 0.989 276 E CA 1.542 58.071 56.400 0.216 0.000 0.800 276 E CB -0.060 29.701 29.700 0.101 0.000 0.746 276 E HN 0.545 nan 8.360 nan 0.000 0.452 277 E N -0.456 119.824 120.200 0.134 0.000 2.153 277 E HA -0.128 4.222 4.350 0.000 0.000 0.194 277 E C 2.018 178.705 176.600 0.144 0.000 0.988 277 E CA 1.429 57.916 56.400 0.145 0.000 0.811 277 E CB 0.050 29.804 29.700 0.089 0.000 0.746 277 E HN 0.285 nan 8.360 nan 0.000 0.466 278 T N 0.482 115.069 114.554 0.055 0.000 2.777 278 T HA -0.101 4.249 4.350 0.000 0.000 0.266 278 T C 1.454 176.171 174.700 0.028 0.000 1.040 278 T CA 0.835 62.928 62.100 -0.010 0.000 1.141 278 T CB -0.302 68.483 68.868 -0.139 0.000 0.868 278 T HN 0.131 nan 8.240 nan 0.000 0.444 279 F N 0.834 120.836 119.950 0.087 0.000 2.216 279 F HA 0.043 4.570 4.527 0.000 0.000 0.300 279 F C 2.066 178.000 175.800 0.225 0.000 1.085 279 F CA 0.754 58.828 58.000 0.124 0.000 1.326 279 F CB -0.416 38.599 39.000 0.024 0.000 1.027 279 F HN 0.130 nan 8.300 nan 0.000 0.497 280 I N -0.678 120.131 120.570 0.398 0.000 2.353 280 I HA -0.243 3.927 4.170 0.000 0.000 0.248 280 I C 2.594 178.993 176.117 0.469 0.000 1.119 280 I CA 0.891 62.443 61.300 0.419 0.000 1.417 280 I CB -0.629 37.605 38.000 0.390 0.000 1.078 280 I HN 0.075 nan 8.210 nan 0.000 0.421 281 A N -0.188 122.905 122.820 0.455 0.000 1.908 281 A HA -0.288 4.032 4.320 0.000 0.000 0.218 281 A C 1.511 179.361 177.584 0.443 0.000 1.181 281 A CA 2.145 54.476 52.037 0.490 0.000 0.627 281 A CB -0.580 18.660 19.000 0.400 0.000 0.818 281 A HN 0.645 nan 8.150 nan 0.000 0.445 282 H N -1.806 117.441 119.070 0.295 0.000 1.452 282 H HA -0.335 4.221 4.556 0.000 0.000 0.090 282 H C 0.500 176.045 175.328 0.362 0.000 0.837 282 H CA 3.068 59.302 56.048 0.310 0.000 1.901 282 H CB -0.541 29.396 29.762 0.292 0.000 2.257 282 H HN 0.567 nan 8.280 nan 0.000 0.961 283 R N -0.966 119.482 120.500 -0.087 0.000 3.656 283 R HA -0.080 4.260 4.340 0.000 0.000 0.297 283 R C 0.720 176.964 176.300 -0.093 0.000 1.166 283 R CA 1.319 57.406 56.100 -0.022 0.000 0.799 283 R CB -2.699 27.694 30.300 0.156 0.000 1.285 283 R HN 0.816 nan 8.270 nan 0.000 0.477 284 G N -0.013 108.248 108.800 -0.898 0.000 2.509 284 G HA2 0.401 4.361 3.960 0.000 0.000 0.269 284 G HA3 0.401 4.361 3.960 0.000 0.000 0.269 284 G C -0.329 174.423 174.900 -0.248 0.000 1.416 284 G CA -0.705 44.001 45.100 -0.658 0.000 1.052 284 G HN 0.172 nan 8.290 nan 0.000 0.542 285 R N 1.288 121.713 120.500 -0.125 0.000 2.316 285 R HA 0.210 4.551 4.340 0.000 0.000 0.314 285 R C -2.076 174.313 176.300 0.149 0.000 1.069 285 R CA -1.276 54.828 56.100 0.007 0.000 0.959 285 R CB 0.768 31.051 30.300 -0.028 0.000 0.987 285 R HN 0.275 nan 8.270 nan 0.000 0.446 286 P HA -0.113 nan 4.420 nan 0.000 0.271 286 P C -0.816 176.661 177.300 0.296 0.000 1.218 286 P CA -0.342 62.919 63.100 0.269 0.000 0.780 286 P CB 0.517 32.362 31.700 0.241 0.000 0.901 287 W N 3.756 125.168 121.300 0.187 0.000 2.295 287 W HA 0.152 4.812 4.660 0.000 0.000 0.335 287 W C -0.881 175.760 176.519 0.204 0.000 1.351 287 W CA 1.110 58.574 57.345 0.198 0.000 1.273 287 W CB 0.171 29.738 29.460 0.178 0.000 1.214 287 W HN 0.250 nan 8.180 nan 0.000 0.563 288 T N 6.351 120.615 114.554 -0.483 0.000 2.916 288 T HA 0.171 4.521 4.350 0.000 0.000 0.298 288 T C -1.308 172.995 174.700 -0.662 0.000 1.031 288 T CA -0.776 61.078 62.100 -0.409 0.000 0.993 288 T CB 1.606 70.407 68.868 -0.110 0.000 1.045 288 T HN 0.480 nan 8.240 nan 0.000 0.454 289 E N 2.432 122.338 120.200 -0.491 0.000 2.133 289 E HA 0.576 4.926 4.350 0.000 0.000 0.274 289 E C -1.379 175.274 176.600 0.089 0.000 0.930 289 E CA -0.664 55.607 56.400 -0.215 0.000 0.770 289 E CB 0.923 30.597 29.700 -0.042 0.000 1.104 289 E HN 0.315 nan 8.360 nan 0.000 0.403 290 V N 5.446 125.491 119.914 0.219 0.000 2.444 290 V HA 0.293 4.413 4.120 0.000 0.000 0.294 290 V C -0.252 176.018 176.094 0.293 0.000 1.022 290 V CA -0.830 61.633 62.300 0.271 0.000 0.850 290 V CB 1.630 33.641 31.823 0.314 0.000 0.992 290 V HN 0.608 nan 8.190 nan 0.000 0.426 291 K N 4.638 125.185 120.400 0.246 0.000 2.234 291 K HA 0.609 4.929 4.320 0.000 0.000 0.277 291 K C -0.896 175.843 176.600 0.232 0.000 1.038 291 K CA -0.699 55.715 56.287 0.211 0.000 0.888 291 K CB 1.103 33.705 32.500 0.170 0.000 1.091 291 K HN 0.596 nan 8.250 nan 0.000 0.467 292 M N 4.766 124.515 119.600 0.247 0.000 2.243 292 M HA 0.284 4.764 4.480 0.000 0.000 0.324 292 M C -1.419 174.978 176.300 0.161 0.000 1.031 292 M CA -0.289 55.149 55.300 0.231 0.000 0.949 292 M CB 1.139 33.910 32.600 0.286 0.000 1.615 292 M HN 0.457 nan 8.290 nan 0.000 0.430 293 K N 6.115 126.612 120.400 0.162 0.000 2.502 293 K HA 0.635 4.955 4.320 0.000 0.000 0.254 293 K C -1.911 174.840 176.600 0.250 0.000 0.947 293 K CA -0.344 56.026 56.287 0.140 0.000 0.834 293 K CB 1.024 33.564 32.500 0.067 0.000 1.112 293 K HN 0.837 nan 8.250 nan 0.000 0.427 294 I N 2.838 123.514 120.570 0.177 0.000 2.465 294 I HA 0.378 4.548 4.170 0.000 0.000 0.291 294 I C 0.120 176.374 176.117 0.229 0.000 1.014 294 I CA -1.109 60.280 61.300 0.148 0.000 1.093 294 I CB 2.225 40.154 38.000 -0.118 0.000 1.267 294 I HN 0.750 nan 8.210 nan 0.000 0.431 295 G N 7.023 115.950 108.800 0.212 0.000 2.422 295 G HA2 0.730 4.690 3.960 0.000 0.000 0.317 295 G HA3 0.730 4.690 3.960 0.000 0.000 0.317 295 G C -0.906 173.994 174.900 0.000 0.000 1.210 295 G CA -0.335 44.863 45.100 0.164 0.000 0.930 295 G HN 0.397 nan 8.290 nan 0.000 0.468 296 L N 1.508 122.739 121.223 0.014 0.000 2.301 296 L HA 0.606 4.946 4.340 0.000 0.000 0.264 296 L C -0.008 176.862 176.870 0.000 0.000 1.016 296 L CA -1.367 53.463 54.840 -0.016 0.000 0.821 296 L CB 2.188 44.229 42.059 -0.030 0.000 1.346 296 L HN 0.237 nan 8.230 nan 0.000 0.429 297 K N 0.643 121.040 120.400 -0.005 0.000 2.090 297 K HA 0.280 4.600 4.320 0.000 0.000 0.249 297 K C 0.568 177.171 176.600 0.005 0.000 0.995 297 K CA -0.517 55.773 56.287 0.004 0.000 0.914 297 K CB 1.229 33.733 32.500 0.005 0.000 1.057 297 K HN 0.430 nan 8.250 nan 0.000 0.462 298 K N 0.825 121.230 120.400 0.009 0.000 2.152 298 K HA -0.175 4.145 4.320 0.000 0.000 0.206 298 K C 1.005 177.610 176.600 0.008 0.000 1.048 298 K CA 1.889 58.182 56.287 0.009 0.000 0.933 298 K CB 0.017 32.524 32.500 0.011 0.000 0.721 298 K HN 0.565 nan 8.250 nan 0.000 0.447 299 D N -0.965 119.439 120.400 0.008 0.000 2.363 299 D HA -0.014 4.626 4.640 0.000 0.000 0.226 299 D C 1.160 177.463 176.300 0.005 0.000 1.020 299 D CA 0.936 54.941 54.000 0.009 0.000 0.892 299 D CB 0.239 41.045 40.800 0.010 0.000 0.900 299 D HN 0.289 nan 8.370 nan 0.000 0.531 300 G N -0.274 108.525 108.800 -0.001 0.000 2.213 300 G HA2 -0.253 3.707 3.960 0.000 0.000 0.226 300 G HA3 -0.253 3.707 3.960 0.000 0.000 0.226 300 G C 0.269 175.156 174.900 -0.022 0.000 0.992 300 G CA -0.101 44.991 45.100 -0.013 0.000 0.632 300 G HN 0.316 nan 8.290 nan 0.000 0.511 301 K N 0.780 121.175 120.400 -0.008 0.000 2.436 301 K HA 0.314 4.634 4.320 0.000 0.000 0.275 301 K C 0.882 177.469 176.600 -0.022 0.000 0.999 301 K CA -0.050 56.236 56.287 -0.002 0.000 0.980 301 K CB 0.797 33.309 32.500 0.019 0.000 0.919 301 K HN 0.411 nan 8.250 nan 0.000 0.484 302 I N 1.906 122.458 120.570 -0.031 0.000 2.496 302 I HA -0.035 4.136 4.170 0.000 0.000 0.285 302 I C 1.200 177.276 176.117 -0.069 0.000 1.080 302 I CA 0.182 61.447 61.300 -0.059 0.000 1.404 302 I CB 1.345 39.312 38.000 -0.055 0.000 1.403 302 I HN 0.688 nan 8.210 nan 0.000 0.539 303 A N 5.070 127.827 122.820 -0.104 0.000 2.055 303 A HA 0.756 5.076 4.320 0.000 0.000 0.205 303 A C 0.697 178.123 177.584 -0.263 0.000 1.235 303 A CA 0.636 52.590 52.037 -0.138 0.000 0.822 303 A CB 0.347 19.282 19.000 -0.108 0.000 0.903 303 A HN 0.775 nan 8.150 nan 0.000 0.473 304 A N -1.264 121.330 122.820 -0.376 0.000 2.597 304 A HA 0.622 4.942 4.320 0.000 0.000 0.292 304 A C -1.956 175.374 177.584 -0.424 0.000 1.057 304 A CA -0.322 51.351 52.037 -0.606 0.000 0.674 304 A CB 0.686 18.844 19.000 -1.403 0.000 1.278 304 A HN 1.207 nan 8.150 nan 0.000 0.416 305 L N 0.532 121.635 121.223 -0.200 0.000 2.464 305 L HA 0.919 5.259 4.340 0.000 0.000 0.266 305 L C -0.525 176.517 176.870 0.286 0.000 0.965 305 L CA 0.106 55.028 54.840 0.137 0.000 0.833 305 L CB 1.896 44.062 42.059 0.179 0.000 1.296 305 L HN 1.714 nan 8.230 nan 0.000 0.405 306 A N 6.031 129.106 122.820 0.425 0.000 2.353 306 A HA 0.806 5.126 4.320 0.000 0.000 0.299 306 A C -1.427 176.325 177.584 0.281 0.000 1.089 306 A CA -0.474 51.779 52.037 0.360 0.000 0.736 306 A CB 1.066 20.287 19.000 0.368 0.000 1.195 306 A HN 1.120 nan 8.150 nan 0.000 0.447 307 L N -0.745 120.642 121.223 0.272 0.000 2.376 307 L HA 0.964 5.304 4.340 0.000 0.000 0.258 307 L C -0.831 176.203 176.870 0.273 0.000 1.013 307 L CA -0.695 54.304 54.840 0.264 0.000 0.822 307 L CB 2.261 44.474 42.059 0.257 0.000 1.388 307 L HN 0.598 nan 8.230 nan 0.000 0.413 308 E N 1.275 121.636 120.200 0.269 0.000 2.272 308 E HA 0.773 5.123 4.350 0.000 0.000 0.269 308 E C -1.299 175.480 176.600 0.299 0.000 0.877 308 E CA -1.038 55.545 56.400 0.305 0.000 0.755 308 E CB 2.520 32.460 29.700 0.400 0.000 1.192 308 E HN 0.867 nan 8.360 nan 0.000 0.422 309 A N 2.027 125.021 122.820 0.290 0.000 2.398 309 A HA 0.657 4.977 4.320 0.000 0.000 0.301 309 A C -0.811 176.976 177.584 0.338 0.000 1.041 309 A CA -0.624 51.566 52.037 0.254 0.000 0.711 309 A CB 1.674 20.784 19.000 0.184 0.000 1.240 309 A HN 0.437 nan 8.150 nan 0.000 0.420 310 T N 2.621 117.364 114.554 0.315 0.000 2.812 310 T HA 0.537 4.887 4.350 0.000 0.000 0.282 310 T C -0.540 174.342 174.700 0.303 0.000 0.990 310 T CA -0.247 62.075 62.100 0.370 0.000 0.960 310 T CB 1.212 70.293 68.868 0.356 0.000 0.948 310 T HN 0.679 nan 8.240 nan 0.000 0.438 311 Q N 1.353 121.331 119.800 0.295 0.000 2.337 311 Q HA 0.684 5.024 4.340 0.000 0.000 0.266 311 Q C -0.737 175.459 176.000 0.327 0.000 1.023 311 Q CA -0.960 55.020 55.803 0.296 0.000 0.829 311 Q CB 2.262 31.120 28.738 0.201 0.000 1.306 311 Q HN 0.791 nan 8.270 nan 0.000 0.449 312 A N 1.444 124.516 122.820 0.420 0.000 2.316 312 A HA 0.495 4.815 4.320 0.000 0.000 0.311 312 A C 0.882 178.611 177.584 0.242 0.000 1.339 312 A CA -0.207 52.006 52.037 0.293 0.000 0.960 312 A CB -0.063 19.099 19.000 0.270 0.000 1.152 312 A HN 0.928 nan 8.150 nan 0.000 0.547 313 G N 1.639 110.546 108.800 0.179 0.000 3.141 313 G HA2 0.491 4.451 3.960 0.000 0.000 0.218 313 G HA3 0.491 4.451 3.960 0.000 0.000 0.218 313 G C 0.910 175.921 174.900 0.184 0.000 1.170 313 G CA 0.668 45.869 45.100 0.169 0.000 0.769 313 G HN 1.982 nan 8.290 nan 0.000 0.546 314 G N -0.847 108.047 108.800 0.156 0.000 2.741 314 G HA2 0.183 4.143 3.960 0.000 0.000 0.222 314 G HA3 0.183 4.143 3.960 0.000 0.000 0.222 314 G C 1.036 176.028 174.900 0.155 0.000 1.364 314 G CA -0.035 45.127 45.100 0.104 0.000 0.866 314 G HN 1.105 nan 8.290 nan 0.000 0.555 315 A N -1.236 121.609 122.820 0.042 0.000 2.119 315 A HA 0.541 4.861 4.320 0.000 0.000 0.216 315 A C 0.727 178.146 177.584 -0.275 0.000 1.152 315 A CA 1.688 53.670 52.037 -0.091 0.000 0.708 315 A CB -0.031 18.912 19.000 -0.095 0.000 0.805 315 A HN 0.984 nan 8.150 nan 0.000 0.460 316 Y N -3.526 116.904 120.300 0.216 0.000 2.576 316 Y HA 0.541 5.091 4.550 0.000 0.000 0.346 316 Y C 1.347 177.388 175.900 0.235 0.000 1.018 316 Y CA -0.536 57.658 58.100 0.156 0.000 1.050 316 Y CB 1.508 40.005 38.460 0.061 0.000 1.280 316 Y HN 0.015 nan 8.280 nan 0.000 0.474 317 A N 1.735 124.725 122.820 0.284 0.000 1.859 317 A HA 0.132 4.452 4.320 0.000 0.000 0.217 317 A C 1.897 179.543 177.584 0.104 0.000 1.198 317 A CA 2.108 54.242 52.037 0.162 0.000 0.629 317 A CB -1.499 17.527 19.000 0.043 0.000 0.830 317 A HN 1.484 nan 8.150 nan 0.000 0.446 318 G N -1.694 107.141 108.800 0.059 0.000 2.652 318 G HA2 -0.387 3.573 3.960 0.000 0.000 0.318 318 G HA3 -0.387 3.573 3.960 0.000 0.000 0.318 318 G C 0.646 175.542 174.900 -0.007 0.000 1.295 318 G CA 1.041 46.160 45.100 0.031 0.000 0.999 318 G HN 0.704 nan 8.290 nan 0.000 0.548 319 Y N 2.693 123.046 120.300 0.087 0.000 2.529 319 Y HA 0.232 4.783 4.550 0.000 0.000 0.290 319 Y C 2.852 178.845 175.900 0.155 0.000 1.177 319 Y CA 1.006 59.187 58.100 0.133 0.000 1.305 319 Y CB -0.168 38.401 38.460 0.182 0.000 1.047 319 Y HN 0.661 nan 8.280 nan 0.000 0.522 320 G N 1.142 110.082 108.800 0.234 0.000 2.624 320 G HA2 -0.350 3.610 3.960 0.000 0.000 0.221 320 G HA3 -0.350 3.610 3.960 0.000 0.000 0.221 320 G C 1.639 176.598 174.900 0.099 0.000 1.169 320 G CA 1.759 46.945 45.100 0.143 0.000 0.771 320 G HN 0.460 nan 8.290 nan 0.000 0.598 321 I N 0.442 121.046 120.570 0.057 0.000 2.163 321 I HA -0.159 4.011 4.170 0.000 0.000 0.243 321 I C 2.740 178.883 176.117 0.043 0.000 1.085 321 I CA 0.921 62.232 61.300 0.019 0.000 1.347 321 I CB -0.215 37.780 38.000 -0.009 0.000 1.044 321 I HN 0.195 nan 8.210 nan 0.000 0.408 322 I N 0.227 120.866 120.570 0.114 0.000 2.202 322 I HA -0.255 3.915 4.170 0.000 0.000 0.242 322 I C 2.542 178.697 176.117 0.062 0.000 1.091 322 I CA 1.556 62.911 61.300 0.090 0.000 1.368 322 I CB -0.638 37.536 38.000 0.290 0.000 1.058 322 I HN 0.269 nan 8.210 nan 0.000 0.410 323 T N 1.160 115.825 114.554 0.185 0.000 2.684 323 T HA -0.219 4.131 4.350 0.000 0.000 0.267 323 T C 1.914 176.676 174.700 0.104 0.000 1.036 323 T CA 1.496 63.681 62.100 0.141 0.000 1.148 323 T CB -0.332 68.727 68.868 0.319 0.000 0.863 323 T HN 0.173 nan 8.240 nan 0.000 0.436 324 I N 0.668 121.289 120.570 0.084 0.000 2.315 324 I HA 0.010 4.180 4.170 0.000 0.000 0.248 324 I C 2.018 178.178 176.117 0.073 0.000 1.117 324 I CA 0.917 62.255 61.300 0.064 0.000 1.404 324 I CB -0.319 37.690 38.000 0.015 0.000 1.071 324 I HN 0.200 nan 8.210 nan 0.000 0.419 325 L N -1.238 120.000 121.223 0.025 0.000 2.083 325 L HA -0.254 4.086 4.340 0.000 0.000 0.209 325 L C 2.261 179.112 176.870 -0.032 0.000 1.083 325 L CA 1.449 56.295 54.840 0.010 0.000 0.752 325 L CB -0.714 41.300 42.059 -0.075 0.000 0.899 325 L HN 0.257 nan 8.230 nan 0.000 0.433 326 Y N 0.190 120.433 120.300 -0.096 0.000 2.333 326 Y HA -0.253 4.297 4.550 0.000 0.000 0.290 326 Y C 2.913 178.715 175.900 -0.163 0.000 1.144 326 Y CA 1.352 59.350 58.100 -0.171 0.000 1.228 326 Y CB -0.284 38.036 38.460 -0.233 0.000 0.985 326 Y HN 0.360 nan 8.280 nan 0.000 0.542 327 T N -3.730 110.863 114.554 0.065 0.000 2.929 327 T HA -0.104 4.246 4.350 0.000 0.000 0.271 327 T C 1.883 176.463 174.700 -0.201 0.000 1.085 327 T CA 1.243 63.345 62.100 0.003 0.000 1.125 327 T CB -0.441 68.499 68.868 0.119 0.000 0.874 327 T HN 0.385 nan 8.240 nan 0.000 0.494 328 G N 0.085 108.626 108.800 -0.432 0.000 2.747 328 G HA2 0.467 4.427 3.960 0.000 0.000 0.202 328 G HA3 0.467 4.427 3.960 0.000 0.000 0.202 328 G C 1.779 176.386 174.900 -0.488 0.000 1.090 328 G CA 0.379 44.935 45.100 -0.907 0.000 0.779 328 G HN 0.584 nan 8.290 nan 0.000 0.535 329 A N 0.698 123.241 122.820 -0.463 0.000 1.948 329 A HA 0.019 4.340 4.320 0.000 0.000 0.220 329 A C 1.847 179.122 177.584 -0.515 0.000 1.177 329 A CA 1.169 52.704 52.037 -0.837 0.000 0.636 329 A CB -0.298 18.287 19.000 -0.692 0.000 0.815 329 A HN 0.321 nan 8.150 nan 0.000 0.449 330 L N -0.501 120.560 121.223 -0.271 0.000 2.728 330 L HA 0.235 4.575 4.340 0.000 0.000 0.235 330 L C 1.601 178.384 176.870 -0.145 0.000 1.197 330 L CA 0.199 54.922 54.840 -0.196 0.000 0.992 330 L CB 0.236 42.126 42.059 -0.281 0.000 1.263 330 L HN 0.268 nan 8.230 nan 0.000 0.484 331 M N -1.479 117.975 119.600 -0.244 0.000 2.558 331 M HA 0.083 4.563 4.480 0.000 0.000 0.255 331 M C 0.305 176.337 176.300 -0.446 0.000 1.113 331 M CA 0.617 55.690 55.300 -0.379 0.000 1.097 331 M CB -0.716 31.630 32.600 -0.422 0.000 1.426 331 M HN 0.217 nan 8.290 nan 0.000 0.488 332 H N -1.263 117.628 119.070 -0.299 0.000 2.544 332 H HA 0.551 5.107 4.556 0.000 0.000 0.342 332 H C 1.266 176.457 175.328 -0.228 0.000 1.185 332 H CA 0.367 56.268 56.048 -0.245 0.000 1.264 332 H CB 0.632 30.255 29.762 -0.232 0.000 1.607 332 H HN 0.294 nan 8.280 nan 0.000 0.550 333 G N -0.018 108.729 108.800 -0.087 0.000 2.179 333 G HA2 -0.298 3.662 3.960 0.000 0.000 0.260 333 G HA3 -0.298 3.662 3.960 0.000 0.000 0.260 333 G C 0.593 175.238 174.900 -0.425 0.000 0.977 333 G CA 0.865 45.796 45.100 -0.280 0.000 0.641 333 G HN 0.515 nan 8.290 nan 0.000 0.533 334 L N -1.498 119.384 121.223 -0.569 0.000 2.519 334 L HA 0.639 4.979 4.340 0.000 0.000 0.194 334 L C 0.602 177.076 176.870 -0.660 0.000 1.072 334 L CA 0.449 54.852 54.840 -0.729 0.000 0.845 334 L CB 0.259 41.628 42.059 -1.149 0.000 1.138 334 L HN 0.166 nan 8.230 nan 0.000 0.487 335 Y N -0.849 119.272 120.300 -0.298 0.000 2.509 335 Y HA 0.455 5.005 4.550 0.000 0.000 0.341 335 Y C -0.435 175.330 175.900 -0.225 0.000 1.038 335 Y CA -1.131 56.843 58.100 -0.209 0.000 1.089 335 Y CB 0.657 39.030 38.460 -0.144 0.000 1.241 335 Y HN 0.065 nan 8.280 nan 0.000 0.468 336 H N 2.805 121.843 119.070 -0.054 0.000 2.742 336 H HA 0.526 5.082 4.556 0.000 0.000 0.302 336 H C -1.233 174.116 175.328 0.035 0.000 1.069 336 H CA -0.139 55.876 56.048 -0.055 0.000 1.446 336 H CB 0.040 29.780 29.762 -0.037 0.000 1.462 336 H HN 0.546 nan 8.280 nan 0.000 0.499 337 I N 8.030 128.303 120.570 -0.496 0.000 2.447 337 I HA 0.181 4.352 4.170 0.000 0.000 0.287 337 I C -1.733 174.132 176.117 -0.419 0.000 1.023 337 I CA -2.226 58.862 61.300 -0.353 0.000 1.083 337 I CB 2.379 40.268 38.000 -0.185 0.000 1.245 337 I HN 0.580 nan 8.210 nan 0.000 0.434 338 P HA -0.101 nan 4.420 nan 0.000 0.215 338 P C -0.054 177.202 177.300 -0.072 0.000 1.157 338 P CA 0.980 63.980 63.100 -0.167 0.000 0.868 338 P CB 0.359 32.002 31.700 -0.096 0.000 0.788 339 A N -1.384 121.384 122.820 -0.086 0.000 2.549 339 A HA 0.710 5.030 4.320 0.000 0.000 0.297 339 A C -1.320 176.266 177.584 0.003 0.000 1.061 339 A CA -0.466 51.567 52.037 -0.006 0.000 0.690 339 A CB 1.036 20.021 19.000 -0.025 0.000 1.287 339 A HN -0.071 nan 8.150 nan 0.000 0.402 340 I N 1.084 121.743 120.570 0.147 0.000 2.569 340 I HA 0.418 4.588 4.170 0.000 0.000 0.290 340 I C -0.426 175.883 176.117 0.320 0.000 1.088 340 I CA -0.466 60.944 61.300 0.183 0.000 1.047 340 I CB 2.451 40.493 38.000 0.071 0.000 1.237 340 I HN 0.716 nan 8.210 nan 0.000 0.421 341 K N 4.552 125.120 120.400 0.281 0.000 2.292 341 K HA 0.541 4.861 4.320 0.000 0.000 0.257 341 K C -1.424 175.375 176.600 0.330 0.000 0.940 341 K CA -0.597 55.861 56.287 0.284 0.000 0.811 341 K CB 1.310 33.962 32.500 0.255 0.000 1.120 341 K HN 0.610 nan 8.250 nan 0.000 0.428 342 H N 2.385 121.568 119.070 0.187 0.000 2.924 342 H HA 0.385 4.941 4.556 0.000 0.000 0.333 342 H C -1.699 173.639 175.328 0.017 0.000 0.979 342 H CA -0.660 55.465 56.048 0.128 0.000 1.326 342 H CB 1.100 30.973 29.762 0.184 0.000 1.600 342 H HN 0.601 nan 8.280 nan 0.000 0.520 343 D N 3.635 123.834 120.400 -0.335 0.000 2.649 343 D HA 0.632 5.272 4.640 0.000 0.000 0.249 343 D C -0.953 174.793 176.300 -0.923 0.000 1.112 343 D CA -0.440 53.173 54.000 -0.646 0.000 0.850 343 D CB 2.246 42.939 40.800 -0.179 0.000 1.399 343 D HN 0.675 nan 8.370 nan 0.000 0.503 344 A N 2.135 124.126 122.820 -1.382 0.000 2.574 344 A HA 0.686 5.007 4.320 0.000 0.000 0.297 344 A C -1.832 175.167 177.584 -0.975 0.000 1.062 344 A CA -0.862 50.656 52.037 -0.866 0.000 0.686 344 A CB 1.959 20.697 19.000 -0.436 0.000 1.285 344 A HN 0.463 nan 8.150 nan 0.000 0.403 345 W N 1.260 122.524 121.300 -0.060 0.000 2.781 345 W HA 0.525 5.185 4.660 0.000 0.000 0.333 345 W C -0.163 176.357 176.519 0.001 0.000 1.047 345 W CA -0.758 56.568 57.345 -0.030 0.000 1.236 345 W CB 2.091 31.560 29.460 0.016 0.000 1.394 345 W HN 0.806 nan 8.180 nan 0.000 0.466 346 R N 2.276 122.853 120.500 0.129 0.000 2.246 346 R HA 0.535 4.875 4.340 0.000 0.000 0.332 346 R C -1.464 174.843 176.300 0.011 0.000 0.974 346 R CA -0.185 55.952 56.100 0.062 0.000 0.837 346 R CB 0.656 30.945 30.300 -0.018 0.000 1.145 346 R HN 0.218 nan 8.270 nan 0.000 0.467 347 V N 5.974 125.926 119.914 0.064 0.000 2.459 347 V HA 0.356 4.476 4.120 0.000 0.000 0.295 347 V C -0.471 175.657 176.094 0.056 0.000 1.029 347 V CA -0.884 61.446 62.300 0.050 0.000 0.874 347 V CB 1.123 33.017 31.823 0.119 0.000 0.985 347 V HN 0.593 nan 8.190 nan 0.000 0.438 348 Y N 2.979 123.324 120.300 0.075 0.000 2.425 348 Y HA 0.458 5.008 4.550 0.000 0.000 0.331 348 Y C 1.073 176.997 175.900 0.040 0.000 1.157 348 Y CA -0.023 58.110 58.100 0.055 0.000 1.372 348 Y CB 0.960 39.458 38.460 0.063 0.000 1.253 348 Y HN 0.814 nan 8.280 nan 0.000 0.536 349 T N -1.204 113.470 114.554 0.199 0.000 2.896 349 T HA 0.371 4.722 4.350 0.000 0.000 0.297 349 T C -0.461 174.242 174.700 0.005 0.000 1.108 349 T CA -1.352 60.804 62.100 0.093 0.000 1.004 349 T CB 1.030 69.923 68.868 0.041 0.000 1.159 349 T HN 0.465 nan 8.240 nan 0.000 0.499 350 N N 1.666 120.339 118.700 -0.046 0.000 3.243 350 N HA 0.335 5.075 4.740 0.000 0.000 0.310 350 N C -0.118 175.341 175.510 -0.086 0.000 1.313 350 N CA -0.278 52.714 53.050 -0.096 0.000 1.204 350 N CB 0.118 38.514 38.487 -0.151 0.000 1.483 350 N HN 0.839 nan 8.380 nan 0.000 0.553 351 T N -3.718 110.755 114.554 -0.136 0.000 2.883 351 T HA 0.475 4.825 4.350 0.000 0.000 0.296 351 T C -3.073 171.463 174.700 -0.273 0.000 1.117 351 T CA -2.557 59.350 62.100 -0.320 0.000 1.006 351 T CB 1.842 70.267 68.868 -0.737 0.000 1.191 351 T HN -0.262 nan 8.240 nan 0.000 0.508 352 P HA 0.186 nan 4.420 nan 0.000 0.261 352 P C -2.493 174.760 177.300 -0.078 0.000 1.173 352 P CA -0.483 62.365 63.100 -0.420 0.000 0.760 352 P CB -0.664 31.041 31.700 0.009 0.000 0.783 353 P HA -0.037 nan 4.420 nan 0.000 0.265 353 P C -0.114 177.347 177.300 0.269 0.000 1.193 353 P CA 0.365 63.556 63.100 0.151 0.000 0.765 353 P CB 0.278 32.099 31.700 0.202 0.000 0.823 354 C N 2.713 122.164 119.300 0.252 0.000 2.403 354 C HA 0.796 5.257 4.460 0.000 0.000 0.361 354 C C 1.388 176.459 174.990 0.135 0.000 1.274 354 C CA 0.679 59.800 59.018 0.171 0.000 2.433 354 C CB 0.542 28.416 27.740 0.223 0.000 2.323 354 C HN 0.804 nan 8.230 nan 0.000 0.614 355 G N -0.487 108.353 108.800 0.068 0.000 2.726 355 G HA2 0.607 4.567 3.960 0.000 0.000 0.198 355 G HA3 0.607 4.567 3.960 0.000 0.000 0.198 355 G C -1.394 173.427 174.900 -0.131 0.000 1.195 355 G CA 0.278 45.446 45.100 0.112 0.000 0.951 355 G HN 1.052 nan 8.290 nan 0.000 0.532 356 A N -0.018 122.546 122.820 -0.428 0.000 2.328 356 A HA 0.741 5.061 4.320 0.000 0.000 0.284 356 A C -0.255 177.181 177.584 -0.246 0.000 1.160 356 A CA 0.041 51.520 52.037 -0.930 0.000 0.818 356 A CB 0.472 18.680 19.000 -1.322 0.000 1.087 356 A HN 0.978 nan 8.150 nan 0.000 0.504 357 M N 2.657 122.138 119.600 -0.198 0.000 2.378 357 M HA 0.427 4.908 4.480 0.000 0.000 0.289 357 M C -0.025 176.219 176.300 -0.095 0.000 1.136 357 M CA -0.590 54.685 55.300 -0.042 0.000 0.917 357 M CB 1.654 34.128 32.600 -0.209 0.000 1.669 357 M HN 0.820 nan 8.290 nan 0.000 0.461 358 R N 2.852 123.333 120.500 -0.031 0.000 3.958 358 R HA -0.096 4.244 4.340 0.000 0.000 0.186 358 R C 0.664 176.782 176.300 -0.302 0.000 0.520 358 R CA 2.261 58.282 56.100 -0.132 0.000 0.917 358 R CB -0.754 29.533 30.300 -0.022 0.000 1.014 358 R HN 1.072 nan 8.270 nan 0.000 0.296 359 G N 2.706 111.137 108.800 -0.616 0.000 2.144 359 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 359 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 359 G C -0.155 174.463 174.900 -0.470 0.000 0.988 359 G CA 0.046 44.665 45.100 -0.803 0.000 0.659 359 G HN 0.989 nan 8.290 nan 0.000 0.522 360 H N 0.270 119.047 119.070 -0.489 0.000 3.012 360 H HA 0.130 4.686 4.556 0.000 0.000 0.227 360 H C 1.845 176.984 175.328 -0.314 0.000 0.720 360 H CA 2.414 58.273 56.048 -0.316 0.000 1.490 360 H CB -0.663 28.933 29.762 -0.276 0.000 1.343 360 H HN 1.792 nan 8.280 nan 0.000 0.455 361 G N 3.265 112.062 108.800 -0.006 0.000 2.220 361 G HA2 -0.389 3.571 3.960 0.000 0.000 0.269 361 G HA3 -0.389 3.571 3.960 0.000 0.000 0.269 361 G C 1.288 176.141 174.900 -0.079 0.000 0.977 361 G CA 1.485 46.555 45.100 -0.051 0.000 0.634 361 G HN 1.115 nan 8.290 nan 0.000 0.539 362 T N -2.482 112.002 114.554 -0.117 0.000 3.022 362 T HA 0.417 4.767 4.350 0.000 0.000 0.250 362 T C 2.175 176.787 174.700 -0.147 0.000 1.060 362 T CA 1.315 63.356 62.100 -0.098 0.000 1.013 362 T CB 0.360 69.207 68.868 -0.035 0.000 0.982 362 T HN 0.383 nan 8.240 nan 0.000 0.508 363 V N 2.717 122.518 119.914 -0.188 0.000 2.261 363 V HA -0.154 3.966 4.120 0.000 0.000 0.246 363 V C 2.548 178.395 176.094 -0.411 0.000 1.047 363 V CA 2.284 64.436 62.300 -0.247 0.000 1.015 363 V CB -0.619 31.061 31.823 -0.237 0.000 0.642 363 V HN 0.448 nan 8.190 nan 0.000 0.446 364 D N 0.480 120.521 120.400 -0.597 0.000 2.097 364 D HA -0.140 4.500 4.640 0.000 0.000 0.195 364 D C 2.389 178.203 176.300 -0.809 0.000 0.989 364 D CA 2.112 55.375 54.000 -1.228 0.000 0.827 364 D CB -0.736 39.231 40.800 -1.389 0.000 0.966 364 D HN 0.629 nan 8.370 nan 0.000 0.456 365 T N -0.706 113.608 114.554 -0.399 0.000 2.833 365 T HA -0.165 4.185 4.350 0.000 0.000 0.269 365 T C 1.977 176.609 174.700 -0.113 0.000 1.054 365 T CA 1.150 63.143 62.100 -0.178 0.000 1.135 365 T CB -0.046 68.772 68.868 -0.083 0.000 0.869 365 T HN -0.062 nan 8.240 nan 0.000 0.466 366 R N 2.480 122.892 120.500 -0.146 0.000 2.081 366 R HA 0.222 4.562 4.340 0.000 0.000 0.235 366 R C 2.555 178.830 176.300 -0.042 0.000 1.131 366 R CA 1.769 57.833 56.100 -0.060 0.000 0.960 366 R CB -1.317 28.947 30.300 -0.061 0.000 0.856 366 R HN 0.446 nan 8.270 nan 0.000 0.436 367 A N 0.462 123.180 122.820 -0.169 0.000 1.902 367 A HA -0.026 4.294 4.320 0.000 0.000 0.217 367 A C 2.424 179.893 177.584 -0.192 0.000 1.181 367 A CA 1.926 53.865 52.037 -0.163 0.000 0.623 367 A CB -1.176 17.668 19.000 -0.260 0.000 0.818 367 A HN 0.515 nan 8.150 nan 0.000 0.443 368 A N -1.075 121.613 122.820 -0.219 0.000 1.865 368 A HA -0.097 4.223 4.320 0.000 0.000 0.217 368 A C 2.109 179.519 177.584 -0.290 0.000 1.191 368 A CA 1.673 53.401 52.037 -0.514 0.000 0.623 368 A CB -0.844 18.058 19.000 -0.163 0.000 0.826 368 A HN 0.697 nan 8.150 nan 0.000 0.444 369 F N 0.827 120.680 119.950 -0.161 0.000 2.095 369 F HA -0.206 4.321 4.527 0.000 0.000 0.298 369 F C 2.415 178.174 175.800 -0.068 0.000 1.104 369 F CA 2.242 60.201 58.000 -0.069 0.000 1.232 369 F CB -0.033 38.952 39.000 -0.027 0.000 0.987 369 F HN 0.226 nan 8.300 nan 0.000 0.475 370 E N 0.625 120.961 120.200 0.227 0.000 2.077 370 E HA -0.217 4.133 4.350 0.000 0.000 0.193 370 E C 2.394 178.988 176.600 -0.011 0.000 0.989 370 E CA 1.185 57.674 56.400 0.149 0.000 0.800 370 E CB -0.877 28.910 29.700 0.145 0.000 0.746 370 E HN 0.531 nan 8.360 nan 0.000 0.452 371 A N 1.238 123.995 122.820 -0.105 0.000 1.877 371 A HA -0.151 4.169 4.320 0.000 0.000 0.216 371 A C 2.263 179.830 177.584 -0.029 0.000 1.186 371 A CA 1.260 53.229 52.037 -0.113 0.000 0.620 371 A CB -0.621 18.137 19.000 -0.403 0.000 0.822 371 A HN 0.231 nan 8.150 nan 0.000 0.443 372 L N -0.792 120.398 121.223 -0.056 0.000 2.093 372 L HA -0.075 4.265 4.340 0.000 0.000 0.208 372 L C 2.250 179.033 176.870 -0.145 0.000 1.085 372 L CA 1.827 56.653 54.840 -0.024 0.000 0.755 372 L CB -0.581 41.475 42.059 -0.005 0.000 0.904 372 L HN 0.384 nan 8.230 nan 0.000 0.435 373 L N -1.169 119.883 121.223 -0.286 0.000 2.042 373 L HA -0.198 4.142 4.340 0.000 0.000 0.210 373 L C 2.287 179.079 176.870 -0.130 0.000 1.076 373 L CA 2.382 57.042 54.840 -0.299 0.000 0.749 373 L CB -0.953 40.870 42.059 -0.393 0.000 0.893 373 L HN 0.289 nan 8.230 nan 0.000 0.432 374 T N -0.818 113.702 114.554 -0.058 0.000 2.708 374 T HA -0.224 4.127 4.350 0.000 0.000 0.266 374 T C 1.748 176.450 174.700 0.004 0.000 1.037 374 T CA 1.609 63.717 62.100 0.014 0.000 1.146 374 T CB -0.174 68.742 68.868 0.081 0.000 0.865 374 T HN 0.504 nan 8.240 nan 0.000 0.435 375 E N 0.454 120.645 120.200 -0.016 0.000 2.077 375 E HA -0.124 4.226 4.350 0.000 0.000 0.193 375 E C 2.176 178.751 176.600 -0.042 0.000 0.989 375 E CA 1.072 57.441 56.400 -0.052 0.000 0.800 375 E CB -0.134 29.540 29.700 -0.045 0.000 0.746 375 E HN 0.476 nan 8.360 nan 0.000 0.452 376 M N -0.327 119.246 119.600 -0.045 0.000 2.175 376 M HA -0.040 4.440 4.480 0.000 0.000 0.264 376 M C 2.363 178.648 176.300 -0.025 0.000 1.063 376 M CA 1.360 56.636 55.300 -0.040 0.000 1.119 376 M CB -0.190 32.374 32.600 -0.061 0.000 1.377 376 M HN 0.236 nan 8.290 nan 0.000 0.415 377 G N 0.032 108.818 108.800 -0.025 0.000 2.448 377 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 377 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 377 G C 1.353 176.266 174.900 0.023 0.000 1.127 377 G CA 0.930 46.029 45.100 -0.001 0.000 0.766 377 G HN 0.578 nan 8.290 nan 0.000 0.552 378 E N 0.277 120.493 120.200 0.026 0.000 2.072 378 E HA -0.107 4.243 4.350 0.000 0.000 0.190 378 E C 2.182 178.802 176.600 0.034 0.000 0.982 378 E CA 0.878 57.306 56.400 0.047 0.000 0.803 378 E CB -0.222 29.513 29.700 0.059 0.000 0.755 378 E HN 0.564 nan 8.360 nan 0.000 0.453 379 E N 0.183 120.392 120.200 0.015 0.000 2.204 379 E HA -0.146 4.204 4.350 0.000 0.000 0.195 379 E C 1.842 178.451 176.600 0.014 0.000 0.990 379 E CA 0.714 57.121 56.400 0.013 0.000 0.821 379 E CB 0.077 29.777 29.700 0.001 0.000 0.750 379 E HN 0.349 nan 8.360 nan 0.000 0.477 380 L N -0.859 120.372 121.223 0.013 0.000 2.592 380 L HA 0.196 4.536 4.340 0.000 0.000 0.227 380 L C 1.343 178.225 176.870 0.020 0.000 1.127 380 L CA 0.360 55.208 54.840 0.013 0.000 0.884 380 L CB 0.290 42.353 42.059 0.008 0.000 1.065 380 L HN 0.317 nan 8.230 nan 0.000 0.457 381 G N 1.163 109.979 108.800 0.027 0.000 2.153 381 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 381 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 381 G C 0.173 175.096 174.900 0.038 0.000 0.994 381 G CA -0.005 45.114 45.100 0.031 0.000 0.698 381 G HN 0.324 nan 8.290 nan 0.000 0.521 382 I N 0.703 121.297 120.570 0.039 0.000 2.385 382 I HA 0.301 4.471 4.170 0.000 0.000 0.294 382 I C 0.498 176.659 176.117 0.074 0.000 0.988 382 I CA -0.837 60.491 61.300 0.047 0.000 1.265 382 I CB 1.284 39.303 38.000 0.031 0.000 1.388 382 I HN 0.148 nan 8.210 nan 0.000 0.480 383 D N 3.351 123.811 120.400 0.101 0.000 2.455 383 D HA -0.028 4.612 4.640 0.000 0.000 0.241 383 D C 1.310 177.712 176.300 0.170 0.000 1.138 383 D CA 0.214 54.316 54.000 0.171 0.000 0.877 383 D CB 1.094 42.025 40.800 0.219 0.000 1.187 383 D HN 0.594 nan 8.370 nan 0.000 0.451 384 S N 3.269 119.113 115.700 0.239 0.000 2.399 384 S HA -0.227 4.243 4.470 0.000 0.000 0.231 384 S C 1.986 176.625 174.600 0.065 0.000 1.022 384 S CA 0.540 58.844 58.200 0.173 0.000 0.983 384 S CB -0.407 62.942 63.200 0.248 0.000 0.803 384 S HN 0.634 nan 8.310 nan 0.000 0.480 385 L N 0.657 121.888 121.223 0.013 0.000 2.109 385 L HA 0.054 4.395 4.340 0.000 0.000 0.207 385 L C 2.576 179.393 176.870 -0.089 0.000 1.086 385 L CA 1.497 56.191 54.840 -0.243 0.000 0.760 385 L CB -0.286 41.359 42.059 -0.691 0.000 0.910 385 L HN 0.217 nan 8.230 nan 0.000 0.437 386 K N 0.590 120.995 120.400 0.008 0.000 2.026 386 K HA -0.198 4.122 4.320 0.000 0.000 0.208 386 K C 1.920 178.530 176.600 0.016 0.000 1.048 386 K CA 1.811 58.111 56.287 0.020 0.000 0.929 386 K CB -0.559 31.975 32.500 0.056 0.000 0.713 386 K HN 0.402 nan 8.250 nan 0.000 0.439 387 I N 0.220 120.802 120.570 0.020 0.000 2.567 387 I HA -0.272 3.899 4.170 0.000 0.000 0.257 387 I C 1.791 177.904 176.117 -0.007 0.000 1.184 387 I CA 1.136 62.435 61.300 -0.001 0.000 1.451 387 I CB 0.065 38.056 38.000 -0.015 0.000 1.089 387 I HN 0.179 nan 8.210 nan 0.000 0.441 388 R N -0.246 120.267 120.500 0.023 0.000 2.080 388 R HA -0.057 4.284 4.340 0.000 0.000 0.222 388 R C 2.222 178.590 176.300 0.113 0.000 1.107 388 R CA 0.976 57.146 56.100 0.117 0.000 0.980 388 R CB -0.264 30.122 30.300 0.143 0.000 0.879 388 R HN 0.425 nan 8.270 nan 0.000 0.439 389 Q N 0.503 120.325 119.800 0.036 0.000 2.181 389 Q HA -0.164 4.176 4.340 0.000 0.000 0.205 389 Q C 2.005 178.029 176.000 0.040 0.000 0.980 389 Q CA 1.322 57.138 55.803 0.022 0.000 0.862 389 Q CB -0.106 28.627 28.738 -0.008 0.000 0.905 389 Q HN 0.393 nan 8.270 nan 0.000 0.429 390 I N 0.822 121.414 120.570 0.037 0.000 2.394 390 I HA -0.214 3.956 4.170 0.000 0.000 0.251 390 I C 1.353 177.501 176.117 0.052 0.000 1.136 390 I CA 0.747 62.067 61.300 0.033 0.000 1.425 390 I CB -0.067 37.944 38.000 0.018 0.000 1.079 390 I HN 0.210 nan 8.210 nan 0.000 0.425 391 N N 0.474 119.226 118.700 0.086 0.000 2.230 391 N HA 0.194 4.934 4.740 0.000 0.000 0.202 391 N C 0.346 175.981 175.510 0.208 0.000 1.119 391 N CA 0.053 53.183 53.050 0.134 0.000 0.851 391 N CB 0.378 38.898 38.487 0.056 0.000 0.990 391 N HN 0.293 nan 8.380 nan 0.000 0.497 392 M N 0.870 120.556 119.600 0.144 0.000 2.240 392 M HA 0.072 4.552 4.480 0.000 0.000 0.317 392 M C 0.511 176.753 176.300 -0.096 0.000 1.087 392 M CA 0.136 55.484 55.300 0.081 0.000 1.176 392 M CB 0.692 33.365 32.600 0.122 0.000 1.439 392 M HN -0.126 nan 8.290 nan 0.000 0.452 393 L N 3.991 124.970 121.223 -0.407 0.000 2.559 393 L HA -0.031 4.309 4.340 0.000 0.000 0.274 393 L C -1.005 175.642 176.870 -0.372 0.000 1.205 393 L CA -1.125 53.316 54.840 -0.665 0.000 0.907 393 L CB -0.263 41.026 42.059 -1.283 0.000 1.153 393 L HN 0.566 nan 8.230 nan 0.000 0.490 394 P HA -0.157 nan 4.420 nan 0.000 0.215 394 P C -0.050 177.195 177.300 -0.090 0.000 1.153 394 P CA 1.462 64.486 63.100 -0.127 0.000 0.853 394 P CB 0.233 31.851 31.700 -0.137 0.000 0.788 395 Q N -0.912 118.852 119.800 -0.060 0.000 2.501 395 Q HA 0.510 4.850 4.340 0.000 0.000 0.288 395 Q C -1.356 174.640 176.000 -0.006 0.000 1.051 395 Q CA -0.982 54.806 55.803 -0.025 0.000 0.788 395 Q CB 1.866 30.604 28.738 0.000 0.000 1.469 395 Q HN -0.051 nan 8.270 nan 0.000 0.416 396 I N 2.183 122.757 120.570 0.006 0.000 2.533 396 I HA 0.390 4.560 4.170 0.000 0.000 0.290 396 I C -2.062 174.091 176.117 0.060 0.000 1.056 396 I CA -1.799 59.525 61.300 0.040 0.000 1.057 396 I CB 1.252 39.277 38.000 0.042 0.000 1.240 396 I HN 0.642 nan 8.210 nan 0.000 0.423 397 P HA 0.185 nan 4.420 nan 0.000 0.270 397 P C -1.507 175.863 177.300 0.117 0.000 1.223 397 P CA 0.035 63.199 63.100 0.106 0.000 0.785 397 P CB 0.959 32.716 31.700 0.095 0.000 0.923 398 Y N 0.628 120.917 120.300 -0.017 0.000 2.354 398 Y HA 0.362 4.912 4.550 0.000 0.000 0.330 398 Y C -1.021 174.876 175.900 -0.005 0.000 1.011 398 Y CA -0.893 57.181 58.100 -0.043 0.000 1.099 398 Y CB 1.619 40.012 38.460 -0.112 0.000 1.179 398 Y HN 0.082 nan 8.280 nan 0.000 0.442 399 V N 6.325 126.047 119.914 -0.319 0.000 2.364 399 V HA 0.250 4.370 4.120 0.000 0.000 0.272 399 V C 0.450 176.348 176.094 -0.326 0.000 1.036 399 V CA -0.334 61.841 62.300 -0.208 0.000 0.880 399 V CB 0.969 32.678 31.823 -0.191 0.000 0.991 399 V HN 0.900 nan 8.190 nan 0.000 0.460 400 T N 2.525 117.064 114.554 -0.024 0.000 2.766 400 T HA 0.264 4.614 4.350 0.000 0.000 0.295 400 T C 1.161 175.858 174.700 -0.006 0.000 1.024 400 T CA -0.348 61.810 62.100 0.096 0.000 1.018 400 T CB 0.633 69.627 68.868 0.210 0.000 1.002 400 T HN 0.469 nan 8.240 nan 0.000 0.532 401 M N -0.139 119.495 119.600 0.055 0.000 2.476 401 M HA 0.060 4.540 4.480 0.000 0.000 0.262 401 M C 1.431 177.670 176.300 -0.101 0.000 1.079 401 M CA 1.080 56.413 55.300 0.054 0.000 1.104 401 M CB -0.410 32.314 32.600 0.207 0.000 1.409 401 M HN 0.792 nan 8.290 nan 0.000 0.467 402 Y N 0.515 120.461 120.300 -0.590 0.000 2.490 402 Y HA 0.281 4.831 4.550 0.000 0.000 0.281 402 Y C 1.203 176.949 175.900 -0.256 0.000 1.174 402 Y CA 0.494 58.185 58.100 -0.681 0.000 1.295 402 Y CB 0.231 37.941 38.460 -1.249 0.000 1.062 402 Y HN 0.310 nan 8.280 nan 0.000 0.522 403 A N -0.015 122.741 122.820 -0.107 0.000 3.141 403 A HA -0.256 4.064 4.320 0.000 0.000 0.242 403 A C 0.264 177.832 177.584 -0.027 0.000 1.313 403 A CA 0.766 52.749 52.037 -0.090 0.000 1.060 403 A CB -2.304 16.607 19.000 -0.149 0.000 1.153 403 A HN 0.554 nan 8.150 nan 0.000 0.847 404 Q N -0.437 119.408 119.800 0.076 0.000 2.293 404 Q HA 0.550 4.890 4.340 0.000 0.000 0.251 404 Q C 0.289 176.376 176.000 0.144 0.000 0.930 404 Q CA -0.104 55.801 55.803 0.170 0.000 0.893 404 Q CB 0.673 29.628 28.738 0.362 0.000 1.215 404 Q HN 0.534 nan 8.270 nan 0.000 0.425 405 R N 1.587 122.159 120.500 0.120 0.000 2.278 405 R HA 0.288 4.628 4.340 0.000 0.000 0.322 405 R C -1.092 175.399 176.300 0.318 0.000 1.058 405 R CA -0.482 55.669 56.100 0.084 0.000 0.991 405 R CB 0.706 30.832 30.300 -0.290 0.000 1.140 405 R HN 0.314 nan 8.270 nan 0.000 0.518 406 V N 5.221 125.349 119.914 0.357 0.000 2.387 406 V HA 0.045 4.165 4.120 0.000 0.000 0.260 406 V C 1.069 177.360 176.094 0.329 0.000 1.054 406 V CA 0.154 62.710 62.300 0.426 0.000 0.967 406 V CB 0.881 32.931 31.823 0.379 0.000 1.036 406 V HN 0.756 nan 8.190 nan 0.000 0.481 407 M N 2.906 122.716 119.600 0.351 0.000 2.382 407 M HA 0.207 4.687 4.480 0.000 0.000 0.247 407 M C 0.572 177.021 176.300 0.248 0.000 1.104 407 M CA 0.333 55.803 55.300 0.284 0.000 1.030 407 M CB 0.032 32.821 32.600 0.315 0.000 1.424 407 M HN 0.756 nan 8.290 nan 0.000 0.486 408 S N -0.574 115.306 115.700 0.299 0.000 2.537 408 S HA 0.641 5.112 4.470 0.000 0.000 0.270 408 S C -1.490 173.341 174.600 0.386 0.000 1.142 408 S CA -0.730 57.636 58.200 0.276 0.000 0.870 408 S CB 2.446 65.787 63.200 0.235 0.000 1.112 408 S HN 0.247 nan 8.310 nan 0.000 0.466 409 Y N 0.831 121.182 120.300 0.085 0.000 2.274 409 Y HA 0.558 5.108 4.550 0.000 0.000 0.323 409 Y C 0.296 176.112 175.900 -0.140 0.000 1.171 409 Y CA -0.283 57.758 58.100 -0.098 0.000 1.163 409 Y CB 1.211 39.553 38.460 -0.196 0.000 1.183 409 Y HN 1.018 nan 8.280 nan 0.000 0.424 410 G N 2.768 111.359 108.800 -0.349 0.000 3.337 410 G HA2 0.115 4.075 3.960 0.000 0.000 0.246 410 G HA3 0.115 4.075 3.960 0.000 0.000 0.246 410 G C 0.915 175.564 174.900 -0.418 0.000 1.131 410 G CA 0.526 45.468 45.100 -0.264 0.000 0.773 410 G HN 0.574 nan 8.290 nan 0.000 0.544 411 V N 1.685 121.063 119.914 -0.894 0.000 2.324 411 V HA -0.161 3.960 4.120 0.000 0.000 0.250 411 V C 0.488 176.361 176.094 -0.368 0.000 1.060 411 V CA 2.253 64.119 62.300 -0.724 0.000 1.042 411 V CB -0.995 30.152 31.823 -1.126 0.000 0.650 411 V HN 0.255 nan 8.190 nan 0.000 0.450 412 P HA -0.206 nan 4.420 nan 0.000 0.214 412 P C 1.758 178.993 177.300 -0.107 0.000 1.163 412 P CA 1.774 64.799 63.100 -0.125 0.000 0.889 412 P CB 0.013 31.680 31.700 -0.055 0.000 0.790 413 E N -1.045 119.094 120.200 -0.102 0.000 2.077 413 E HA -0.189 4.161 4.350 0.000 0.000 0.193 413 E C 1.731 178.288 176.600 -0.070 0.000 0.989 413 E CA 1.235 57.595 56.400 -0.067 0.000 0.800 413 E CB -0.443 29.230 29.700 -0.046 0.000 0.746 413 E HN 0.123 nan 8.360 nan 0.000 0.452 414 C N 0.556 119.798 119.300 -0.097 0.000 2.393 414 C HA -0.169 4.292 4.460 0.000 0.000 0.276 414 C C 2.651 177.593 174.990 -0.079 0.000 1.215 414 C CA 0.687 59.660 59.018 -0.074 0.000 1.743 414 C CB -1.112 26.573 27.740 -0.092 0.000 2.044 414 C HN 0.481 nan 8.230 nan 0.000 0.464 415 L N 0.393 121.548 121.223 -0.113 0.000 2.012 415 L HA -0.164 4.176 4.340 0.000 0.000 0.210 415 L C 2.858 179.656 176.870 -0.120 0.000 1.073 415 L CA 1.447 56.210 54.840 -0.129 0.000 0.748 415 L CB -0.747 41.232 42.059 -0.133 0.000 0.891 415 L HN 0.339 nan 8.230 nan 0.000 0.431 416 E N 0.140 120.287 120.200 -0.088 0.000 2.077 416 E HA -0.234 4.116 4.350 0.000 0.000 0.193 416 E C 2.174 178.741 176.600 -0.055 0.000 0.989 416 E CA 1.193 57.553 56.400 -0.067 0.000 0.800 416 E CB -0.013 29.660 29.700 -0.045 0.000 0.746 416 E HN 0.235 nan 8.360 nan 0.000 0.452 417 K N 0.296 120.670 120.400 -0.043 0.000 2.026 417 K HA -0.117 4.204 4.320 0.000 0.000 0.208 417 K C 2.173 178.762 176.600 -0.017 0.000 1.048 417 K CA 1.242 57.519 56.287 -0.018 0.000 0.929 417 K CB -0.371 32.129 32.500 0.001 0.000 0.713 417 K HN 0.145 nan 8.250 nan 0.000 0.439 418 V N -0.963 118.935 119.914 -0.027 0.000 2.809 418 V HA -0.074 4.046 4.120 0.000 0.000 0.256 418 V C 2.129 178.163 176.094 -0.099 0.000 1.080 418 V CA 1.533 63.823 62.300 -0.017 0.000 1.102 418 V CB -0.481 31.350 31.823 0.013 0.000 0.705 418 V HN 0.227 nan 8.190 nan 0.000 0.475 419 K N 1.322 121.645 120.400 -0.129 0.000 2.001 419 K HA -0.085 4.235 4.320 0.000 0.000 0.208 419 K C 2.234 178.805 176.600 -0.047 0.000 1.048 419 K CA 1.741 57.954 56.287 -0.122 0.000 0.932 419 K CB -0.488 31.929 32.500 -0.138 0.000 0.715 419 K HN 0.511 nan 8.250 nan 0.000 0.437 420 A N 1.155 123.941 122.820 -0.055 0.000 1.855 420 A HA -0.047 4.273 4.320 0.000 0.000 0.215 420 A C 2.378 179.900 177.584 -0.103 0.000 1.191 420 A CA 1.812 53.819 52.037 -0.050 0.000 0.613 420 A CB -0.938 18.045 19.000 -0.028 0.000 0.829 420 A HN 0.500 nan 8.150 nan 0.000 0.442 421 A N 0.272 123.021 122.820 -0.119 0.000 1.940 421 A HA -0.107 4.213 4.320 0.000 0.000 0.219 421 A C 2.384 179.611 177.584 -0.595 0.000 1.176 421 A CA 2.381 54.311 52.037 -0.179 0.000 0.631 421 A CB -0.835 18.162 19.000 -0.005 0.000 0.814 421 A HN 1.038 nan 8.150 nan 0.000 0.446 422 S N -1.913 113.321 115.700 -0.777 0.000 2.558 422 S HA 0.369 4.839 4.470 0.000 0.000 0.217 422 S C 1.345 175.578 174.600 -0.610 0.000 0.975 422 S CA 0.944 58.356 58.200 -1.313 0.000 0.912 422 S CB -0.430 62.201 63.200 -0.948 0.000 0.776 422 S HN 1.941 nan 8.310 nan 0.000 0.526 423 G N 1.418 110.045 108.800 -0.289 0.000 2.246 423 G HA2 -0.279 3.681 3.960 0.000 0.000 0.273 423 G HA3 -0.279 3.681 3.960 0.000 0.000 0.273 423 G C 0.423 175.290 174.900 -0.056 0.000 1.055 423 G CA 0.240 45.260 45.100 -0.134 0.000 0.851 423 G HN 0.559 nan 8.290 nan 0.000 0.500 424 W N 0.133 121.312 121.300 -0.202 0.000 2.301 424 W HA -0.182 4.478 4.660 0.000 0.000 0.325 424 W C 1.889 178.359 176.519 -0.081 0.000 1.250 424 W CA 2.217 59.483 57.345 -0.132 0.000 1.261 424 W CB -0.202 29.194 29.460 -0.106 0.000 1.157 424 W HN 0.508 nan 8.180 nan 0.000 0.473 425 E N 0.227 120.521 120.200 0.156 0.000 2.048 425 E HA -0.276 4.074 4.350 0.000 0.000 0.202 425 E C 1.657 178.220 176.600 -0.062 0.000 1.021 425 E CA 2.316 58.749 56.400 0.054 0.000 0.825 425 E CB -0.513 29.232 29.700 0.076 0.000 0.756 425 E HN 0.277 nan 8.360 nan 0.000 0.454 426 E N -0.193 119.973 120.200 -0.057 0.000 2.208 426 E HA -0.084 4.266 4.350 0.000 0.000 0.193 426 E C 1.977 178.510 176.600 -0.112 0.000 0.988 426 E CA 0.865 57.222 56.400 -0.071 0.000 0.828 426 E CB -0.036 29.633 29.700 -0.052 0.000 0.763 426 E HN 0.204 nan 8.360 nan 0.000 0.478 427 R N -0.220 120.182 120.500 -0.163 0.000 2.221 427 R HA 0.147 4.487 4.340 0.000 0.000 0.195 427 R C 0.585 176.709 176.300 -0.294 0.000 0.956 427 R CA -0.229 55.757 56.100 -0.190 0.000 1.064 427 R CB 0.049 30.258 30.300 -0.153 0.000 1.049 427 R HN -0.147 nan 8.270 nan 0.000 0.534 428 K N 1.349 121.442 120.400 -0.512 0.000 2.453 428 K HA -0.010 4.310 4.320 0.000 0.000 0.280 428 K C 0.674 177.032 176.600 -0.403 0.000 1.045 428 K CA 1.157 57.020 56.287 -0.707 0.000 1.059 428 K CB 0.022 31.658 32.500 -1.441 0.000 0.901 428 K HN 0.382 nan 8.250 nan 0.000 0.475 429 G N 3.931 112.555 108.800 -0.292 0.000 2.176 429 G HA2 -0.294 3.666 3.960 0.000 0.000 0.253 429 G HA3 -0.294 3.666 3.960 0.000 0.000 0.253 429 G C -0.005 174.811 174.900 -0.140 0.000 0.979 429 G CA 0.582 45.572 45.100 -0.182 0.000 0.641 429 G HN 0.600 nan 8.290 nan 0.000 0.530 430 K N -0.070 120.243 120.400 -0.145 0.000 3.123 430 K HA 0.525 4.845 4.320 0.000 0.000 0.209 430 K C 0.162 176.708 176.600 -0.091 0.000 1.132 430 K CA -0.323 55.901 56.287 -0.105 0.000 0.992 430 K CB 0.762 33.203 32.500 -0.097 0.000 0.773 430 K HN 0.293 nan 8.250 nan 0.000 0.458 431 L N 0.854 122.023 121.223 -0.089 0.000 2.332 431 L HA 0.546 4.886 4.340 0.000 0.000 0.269 431 L C -2.014 174.824 176.870 -0.053 0.000 1.016 431 L CA -2.328 52.473 54.840 -0.065 0.000 0.809 431 L CB 0.589 42.612 42.059 -0.059 0.000 1.280 431 L HN -0.021 nan 8.230 nan 0.000 0.447 432 P HA 0.020 nan 4.420 nan 0.000 0.269 432 P C -1.047 176.232 177.300 -0.035 0.000 1.217 432 P CA -0.469 62.610 63.100 -0.035 0.000 0.783 432 P CB 0.358 32.042 31.700 -0.027 0.000 0.898 433 K N 1.183 121.562 120.400 -0.035 0.000 2.484 433 K HA 0.265 4.585 4.320 0.000 0.000 0.280 433 K C 1.106 177.690 176.600 -0.026 0.000 1.013 433 K CA 1.275 57.540 56.287 -0.037 0.000 1.029 433 K CB -0.830 31.650 32.500 -0.033 0.000 0.902 433 K HN 0.685 nan 8.250 nan 0.000 0.481 434 G N 3.302 112.084 108.800 -0.031 0.000 2.175 434 G HA2 -0.260 3.700 3.960 0.000 0.000 0.244 434 G HA3 -0.260 3.700 3.960 0.000 0.000 0.244 434 G C -0.134 174.771 174.900 0.010 0.000 0.982 434 G CA 0.235 45.327 45.100 -0.013 0.000 0.641 434 G HN 0.614 nan 8.290 nan 0.000 0.527 435 R N -0.149 120.353 120.500 0.004 0.000 2.832 435 R HA 0.695 5.035 4.340 0.000 0.000 0.271 435 R C 0.198 176.503 176.300 0.009 0.000 0.996 435 R CA -0.100 56.020 56.100 0.034 0.000 0.977 435 R CB 2.006 32.326 30.300 0.033 0.000 1.168 435 R HN 0.507 nan 8.270 nan 0.000 0.482 436 G N 0.956 109.780 108.800 0.040 0.000 2.684 436 G HA2 0.608 4.568 3.960 0.000 0.000 0.290 436 G HA3 0.608 4.568 3.960 0.000 0.000 0.290 436 G C -1.708 173.229 174.900 0.060 0.000 1.425 436 G CA -0.646 44.464 45.100 0.016 0.000 0.822 436 G HN 0.292 nan 8.290 nan 0.000 0.482 437 L N -0.027 121.216 121.223 0.033 0.000 2.401 437 L HA 0.816 5.156 4.340 0.000 0.000 0.266 437 L C 0.375 177.372 176.870 0.211 0.000 0.991 437 L CA -0.764 54.147 54.840 0.117 0.000 0.818 437 L CB 2.591 44.632 42.059 -0.030 0.000 1.321 437 L HN 0.840 nan 8.230 nan 0.000 0.413 438 G N 1.884 110.890 108.800 0.344 0.000 2.619 438 G HA2 0.719 4.679 3.960 0.000 0.000 0.296 438 G HA3 0.719 4.679 3.960 0.000 0.000 0.296 438 G C -2.132 172.982 174.900 0.357 0.000 1.334 438 G CA -0.409 44.905 45.100 0.357 0.000 0.934 438 G HN 0.367 nan 8.290 nan 0.000 0.476 439 I N 0.279 120.988 120.570 0.232 0.000 2.689 439 I HA 0.904 5.074 4.170 0.000 0.000 0.299 439 I C -0.292 175.846 176.117 0.036 0.000 1.059 439 I CA -0.790 60.511 61.300 0.002 0.000 1.055 439 I CB 2.039 39.827 38.000 -0.352 0.000 1.243 439 I HN 1.037 nan 8.210 nan 0.000 0.425 440 A N 6.756 129.591 122.820 0.024 0.000 2.612 440 A HA 0.805 5.125 4.320 0.000 0.000 0.293 440 A C -2.065 175.550 177.584 0.053 0.000 1.075 440 A CA -0.585 51.489 52.037 0.062 0.000 0.680 440 A CB 1.147 20.192 19.000 0.076 0.000 1.279 440 A HN 0.687 nan 8.150 nan 0.000 0.411 441 L N 1.129 122.399 121.223 0.078 0.000 2.319 441 L HA 0.858 5.198 4.340 0.000 0.000 0.267 441 L C 0.238 177.135 176.870 0.046 0.000 1.011 441 L CA -0.512 54.347 54.840 0.032 0.000 0.818 441 L CB 2.377 44.414 42.059 -0.037 0.000 1.316 441 L HN 1.064 nan 8.230 nan 0.000 0.432 442 S N -0.427 115.304 115.700 0.052 0.000 2.588 442 S HA 0.753 5.223 4.470 0.000 0.000 0.269 442 S C -1.504 173.208 174.600 0.187 0.000 1.157 442 S CA -0.900 57.365 58.200 0.109 0.000 0.824 442 S CB 2.209 65.459 63.200 0.084 0.000 1.126 442 S HN 0.837 nan 8.310 nan 0.000 0.464 443 H N -0.333 118.715 119.070 -0.037 0.000 2.981 443 H HA 0.838 5.395 4.556 0.000 0.000 0.327 443 H C -2.134 173.243 175.328 0.081 0.000 1.342 443 H CA -1.276 54.720 56.048 -0.087 0.000 1.123 443 H CB 0.812 30.351 29.762 -0.372 0.000 1.851 443 H HN 0.741 nan 8.280 nan 0.000 0.531 444 F N 0.674 120.515 119.950 -0.182 0.000 2.686 444 F HA 0.447 4.974 4.527 0.000 0.000 0.311 444 F C -0.670 175.086 175.800 -0.073 0.000 1.128 444 F CA -0.389 57.503 58.000 -0.181 0.000 0.946 444 F CB 1.605 40.511 39.000 -0.157 0.000 1.336 444 F HN 0.617 nan 8.300 nan 0.000 0.457 445 V N 0.960 120.411 119.914 -0.772 0.000 3.051 445 V HA 0.434 4.554 4.120 0.000 0.000 0.306 445 V C -0.034 175.897 176.094 -0.272 0.000 1.083 445 V CA -0.243 61.669 62.300 -0.648 0.000 1.104 445 V CB 0.968 32.388 31.823 -0.672 0.000 1.027 445 V HN 0.735 nan 8.190 nan 0.000 0.483 446 S N 2.413 117.914 115.700 -0.333 0.000 2.560 446 S HA 0.672 5.142 4.470 0.000 0.000 0.227 446 S C 0.422 174.882 174.600 -0.233 0.000 1.280 446 S CA 0.312 58.402 58.200 -0.184 0.000 1.260 446 S CB -0.453 62.641 63.200 -0.177 0.000 1.002 446 S HN 1.980 nan 8.310 nan 0.000 0.509 447 G N 1.193 109.892 108.800 -0.168 0.000 3.067 447 G HA2 -0.148 3.812 3.960 0.000 0.000 0.686 447 G HA3 -0.148 3.812 3.960 0.000 0.000 0.686 447 G C -0.458 174.352 174.900 -0.151 0.000 1.119 447 G CA -1.195 43.812 45.100 -0.155 0.000 0.790 447 G HN 0.227 nan 8.290 nan 0.000 0.605 448 T N 2.354 116.885 114.554 -0.038 0.000 2.769 448 T HA 0.394 4.744 4.350 0.000 0.000 0.293 448 T C 1.912 176.592 174.700 -0.032 0.000 0.931 448 T CA 0.617 62.723 62.100 0.011 0.000 1.139 448 T CB 0.862 69.836 68.868 0.176 0.000 0.881 448 T HN 1.584 nan 8.240 nan 0.000 0.532 449 S N 2.092 117.755 115.700 -0.060 0.000 2.595 449 S HA -0.016 4.455 4.470 0.000 0.000 0.235 449 S C 0.758 175.315 174.600 -0.072 0.000 0.974 449 S CA -0.126 58.046 58.200 -0.047 0.000 0.942 449 S CB -0.148 63.060 63.200 0.013 0.000 0.766 449 S HN 0.598 nan 8.310 nan 0.000 0.536 450 T N 3.991 118.521 114.554 -0.041 0.000 2.809 450 T HA 0.547 4.897 4.350 0.000 0.000 0.284 450 T C -2.871 171.855 174.700 0.044 0.000 0.992 450 T CA -1.385 60.708 62.100 -0.012 0.000 0.957 450 T CB 1.688 70.569 68.868 0.021 0.000 0.942 450 T HN 0.057 nan 8.240 nan 0.000 0.439 451 P HA 0.264 nan 4.420 nan 0.000 0.269 451 P C 0.699 178.124 177.300 0.209 0.000 1.215 451 P CA -0.492 62.729 63.100 0.202 0.000 0.780 451 P CB 0.880 32.723 31.700 0.238 0.000 0.898 452 K N 0.133 120.648 120.400 0.192 0.000 2.211 452 K HA -0.091 4.229 4.320 0.000 0.000 0.203 452 K C 0.050 176.527 176.600 -0.205 0.000 1.050 452 K CA 1.106 57.353 56.287 -0.066 0.000 0.945 452 K CB -0.277 32.064 32.500 -0.266 0.000 0.732 452 K HN 0.619 nan 8.250 nan 0.000 0.451 453 H N -1.197 117.983 119.070 0.183 0.000 2.481 453 H HA 0.116 4.673 4.556 0.000 0.000 0.333 453 H C -1.238 174.237 175.328 0.245 0.000 1.066 453 H CA -0.766 55.384 56.048 0.171 0.000 1.209 453 H CB 0.699 30.550 29.762 0.148 0.000 1.445 453 H HN 0.187 nan 8.280 nan 0.000 0.488 454 W N 6.031 127.415 121.300 0.141 0.000 2.433 454 W HA 0.111 4.771 4.660 0.000 0.000 0.331 454 W C -0.420 176.171 176.519 0.120 0.000 1.110 454 W CA -0.257 57.156 57.345 0.112 0.000 1.450 454 W CB 0.629 30.127 29.460 0.064 0.000 1.348 454 W HN 0.757 nan 8.180 nan 0.000 0.415 455 T N 0.737 114.881 114.554 -0.684 0.000 3.040 455 T HA 0.173 4.523 4.350 0.000 0.000 0.266 455 T C 1.361 175.557 174.700 -0.840 0.000 1.005 455 T CA 0.395 62.146 62.100 -0.581 0.000 0.906 455 T CB 0.417 69.157 68.868 -0.213 0.000 1.082 455 T HN 0.715 nan 8.240 nan 0.000 0.531 456 G N 1.570 109.404 108.800 -1.611 0.000 2.168 456 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 456 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 456 G C -0.234 174.402 174.900 -0.440 0.000 0.997 456 G CA 0.354 44.799 45.100 -1.092 0.000 0.708 456 G HN 0.677 nan 8.290 nan 0.000 0.520 457 E N 0.822 120.817 120.200 -0.342 0.000 2.280 457 E HA 0.469 4.819 4.350 0.000 0.000 0.264 457 E C -1.835 174.721 176.600 -0.074 0.000 1.064 457 E CA -1.794 54.509 56.400 -0.161 0.000 0.900 457 E CB 0.998 30.619 29.700 -0.131 0.000 1.123 457 E HN 0.198 nan 8.360 nan 0.000 0.418 458 P HA -0.034 nan 4.420 nan 0.000 0.271 458 P C -0.330 177.000 177.300 0.049 0.000 1.233 458 P CA 0.344 63.380 63.100 -0.106 0.000 0.789 458 P CB 0.469 32.116 31.700 -0.087 0.000 0.951 459 H N -0.707 118.359 119.070 -0.005 0.000 2.548 459 H HA 0.368 4.924 4.556 0.000 0.000 0.268 459 H C 0.472 175.834 175.328 0.056 0.000 0.975 459 H CA -0.126 55.950 56.048 0.047 0.000 1.195 459 H CB 0.436 30.250 29.762 0.085 0.000 1.397 459 H HN 0.478 nan 8.280 nan 0.000 0.572 460 A N 0.523 123.438 122.820 0.158 0.000 2.577 460 A HA 0.485 4.805 4.320 0.000 0.000 0.297 460 A C -0.913 176.701 177.584 0.049 0.000 1.060 460 A CA -0.682 51.412 52.037 0.095 0.000 0.697 460 A CB 1.470 20.552 19.000 0.137 0.000 1.281 460 A HN 0.057 nan 8.150 nan 0.000 0.402 461 T N 1.261 115.818 114.554 0.005 0.000 2.928 461 T HA 0.620 4.970 4.350 0.000 0.000 0.296 461 T C -1.029 173.661 174.700 -0.017 0.000 1.000 461 T CA -0.435 61.659 62.100 -0.011 0.000 0.989 461 T CB 1.506 70.353 68.868 -0.036 0.000 1.005 461 T HN 0.842 nan 8.240 nan 0.000 0.442 462 V N 3.871 123.779 119.914 -0.011 0.000 2.656 462 V HA 0.568 4.688 4.120 0.000 0.000 0.307 462 V C -0.711 175.374 176.094 -0.014 0.000 1.051 462 V CA -1.008 61.282 62.300 -0.016 0.000 0.893 462 V CB 2.228 34.043 31.823 -0.014 0.000 0.999 462 V HN 0.764 nan 8.190 nan 0.000 0.426 463 N N 3.644 122.334 118.700 -0.016 0.000 2.370 463 N HA 0.752 5.492 4.740 0.000 0.000 0.303 463 N C -1.168 174.337 175.510 -0.007 0.000 1.103 463 N CA -0.428 52.615 53.050 -0.011 0.000 0.848 463 N CB 2.403 40.882 38.487 -0.014 0.000 1.235 463 N HN 0.504 nan 8.380 nan 0.000 0.496 464 L N 0.628 121.851 121.223 0.000 0.000 2.370 464 L HA 0.535 4.875 4.340 0.000 0.000 0.266 464 L C -0.020 176.856 176.870 0.009 0.000 1.002 464 L CA -0.750 54.094 54.840 0.006 0.000 0.818 464 L CB 2.381 44.451 42.059 0.018 0.000 1.325 464 L HN 0.262 nan 8.230 nan 0.000 0.418 465 K N 3.065 123.471 120.400 0.009 0.000 2.443 465 K HA 0.630 4.950 4.320 0.000 0.000 0.252 465 K C -2.104 174.504 176.600 0.014 0.000 0.933 465 K CA -0.669 55.623 56.287 0.009 0.000 0.792 465 K CB 2.545 35.046 32.500 0.002 0.000 1.185 465 K HN 0.422 nan 8.250 nan 0.000 0.425 466 L N 3.658 124.892 121.223 0.018 0.000 2.439 466 L HA 0.491 4.831 4.340 0.000 0.000 0.270 466 L C -1.269 175.602 176.870 0.002 0.000 0.972 466 L CA -0.186 54.668 54.840 0.022 0.000 0.836 466 L CB 1.596 43.690 42.059 0.059 0.000 1.255 466 L HN 0.741 nan 8.230 nan 0.000 0.404 467 D N 2.122 122.501 120.400 -0.034 0.000 2.689 467 D HA 0.251 4.891 4.640 0.000 0.000 0.255 467 D C 1.064 177.307 176.300 -0.094 0.000 1.113 467 D CA -0.177 53.812 54.000 -0.020 0.000 1.115 467 D CB 1.231 42.036 40.800 0.007 0.000 1.334 467 D HN 0.407 nan 8.370 nan 0.000 0.621 468 F N 0.663 120.612 119.950 -0.001 0.000 2.184 468 F HA -0.187 4.340 4.527 0.000 0.000 0.301 468 F C 1.552 177.359 175.800 0.012 0.000 1.076 468 F CA 1.875 59.871 58.000 -0.005 0.000 1.295 468 F CB -0.661 38.334 39.000 -0.008 0.000 1.026 468 F HN 0.237 nan 8.300 nan 0.000 0.494 469 D N -0.555 119.032 120.400 -1.355 0.000 2.269 469 D HA 0.001 4.641 4.640 0.000 0.000 0.208 469 D C 2.064 178.198 176.300 -0.276 0.000 0.963 469 D CA 1.142 54.629 54.000 -0.854 0.000 0.864 469 D CB -0.432 39.835 40.800 -0.889 0.000 0.936 469 D HN 0.573 nan 8.370 nan 0.000 0.505 470 G N 0.307 109.009 108.800 -0.164 0.000 2.194 470 G HA2 -0.186 3.774 3.960 0.000 0.000 0.236 470 G HA3 -0.186 3.774 3.960 0.000 0.000 0.236 470 G C 0.608 175.555 174.900 0.078 0.000 0.987 470 G CA 0.127 45.270 45.100 0.073 0.000 0.635 470 G HN 0.761 nan 8.290 nan 0.000 0.520 471 G N 0.079 108.850 108.800 -0.047 0.000 2.370 471 G HA2 0.577 4.537 3.960 0.000 0.000 0.272 471 G HA3 0.577 4.537 3.960 0.000 0.000 0.272 471 G C -0.020 174.868 174.900 -0.020 0.000 1.208 471 G CA -0.450 44.622 45.100 -0.047 0.000 0.856 471 G HN 0.586 nan 8.290 nan 0.000 0.500 472 I N 1.539 122.100 120.570 -0.014 0.000 2.353 472 I HA 0.233 4.404 4.170 0.000 0.000 0.293 472 I C 0.276 176.383 176.117 -0.016 0.000 0.992 472 I CA -0.245 61.058 61.300 0.006 0.000 1.268 472 I CB 1.881 39.890 38.000 0.015 0.000 1.387 472 I HN 0.250 nan 8.210 nan 0.000 0.478 473 T N 7.408 121.955 114.554 -0.012 0.000 2.771 473 T HA 0.445 4.795 4.350 0.000 0.000 0.281 473 T C -0.474 174.217 174.700 -0.015 0.000 0.982 473 T CA -0.386 61.702 62.100 -0.019 0.000 0.978 473 T CB 1.072 69.929 68.868 -0.019 0.000 0.930 473 T HN 0.344 nan 8.240 nan 0.000 0.447 474 L N 5.057 126.267 121.223 -0.022 0.000 2.287 474 L HA 0.618 4.958 4.340 0.000 0.000 0.287 474 L C -1.496 175.357 176.870 -0.028 0.000 1.022 474 L CA -0.924 53.903 54.840 -0.021 0.000 0.814 474 L CB 0.528 42.572 42.059 -0.024 0.000 1.217 474 L HN 0.536 nan 8.230 nan 0.000 0.420 475 L N 5.138 126.346 121.223 -0.026 0.000 2.280 475 L HA 0.569 4.909 4.340 0.000 0.000 0.287 475 L C 0.081 176.931 176.870 -0.034 0.000 1.023 475 L CA 0.050 54.871 54.840 -0.031 0.000 0.819 475 L CB 1.731 43.775 42.059 -0.025 0.000 1.212 475 L HN 0.539 nan 8.230 nan 0.000 0.420 476 T N 0.934 115.462 114.554 -0.043 0.000 2.900 476 T HA 0.519 4.869 4.350 0.000 0.000 0.295 476 T C 0.947 175.616 174.700 -0.052 0.000 1.044 476 T CA -0.180 61.892 62.100 -0.046 0.000 0.995 476 T CB 1.667 70.507 68.868 -0.048 0.000 1.072 476 T HN 0.652 nan 8.240 nan 0.000 0.473 477 G N 1.856 110.624 108.800 -0.053 0.000 2.920 477 G HA2 0.432 4.392 3.960 0.000 0.000 0.208 477 G HA3 0.432 4.392 3.960 0.000 0.000 0.208 477 G C 0.698 175.563 174.900 -0.057 0.000 1.159 477 G CA 0.300 45.368 45.100 -0.053 0.000 0.784 477 G HN 1.054 nan 8.290 nan 0.000 0.535 478 A N 0.311 123.094 122.820 -0.061 0.000 2.498 478 A HA 0.608 4.929 4.320 0.000 0.000 0.239 478 A C 0.658 178.195 177.584 -0.078 0.000 1.068 478 A CA 0.433 52.431 52.037 -0.065 0.000 0.766 478 A CB 0.349 19.312 19.000 -0.062 0.000 1.003 478 A HN 0.897 nan 8.150 nan 0.000 0.497 479 A N 2.639 125.412 122.820 -0.078 0.000 2.252 479 A HA 0.486 4.806 4.320 0.000 0.000 0.309 479 A C -0.151 177.370 177.584 -0.104 0.000 1.285 479 A CA -0.457 51.524 52.037 -0.094 0.000 0.900 479 A CB 0.143 19.095 19.000 -0.080 0.000 1.157 479 A HN 0.800 nan 8.150 nan 0.000 0.536 480 D N 3.128 123.449 120.400 -0.132 0.000 2.295 480 D HA 0.289 4.929 4.640 0.000 0.000 0.248 480 D C 0.705 176.930 176.300 -0.126 0.000 1.154 480 D CA -0.120 53.805 54.000 -0.125 0.000 0.857 480 D CB 0.758 41.467 40.800 -0.151 0.000 1.117 480 D HN 0.559 nan 8.370 nan 0.000 0.468 481 I N 0.706 121.215 120.570 -0.102 0.000 3.936 481 I HA 0.453 4.623 4.170 0.000 0.000 0.330 481 I C 0.936 177.006 176.117 -0.079 0.000 1.509 481 I CA -0.383 60.852 61.300 -0.108 0.000 1.126 481 I CB 0.491 38.393 38.000 -0.164 0.000 1.115 481 I HN 0.510 nan 8.210 nan 0.000 0.424 482 G N 2.546 111.326 108.800 -0.032 0.000 2.231 482 G HA2 -0.276 3.684 3.960 0.000 0.000 0.206 482 G HA3 -0.276 3.684 3.960 0.000 0.000 0.206 482 G C 1.065 175.970 174.900 0.008 0.000 0.996 482 G CA 0.356 45.466 45.100 0.017 0.000 0.645 482 G HN 0.516 nan 8.290 nan 0.000 0.498 483 Q N 1.383 121.170 119.800 -0.021 0.000 2.311 483 Q HA 0.329 4.669 4.340 0.000 0.000 0.203 483 Q C 1.655 177.651 176.000 -0.007 0.000 0.954 483 Q CA 1.900 57.699 55.803 -0.007 0.000 0.885 483 Q CB -0.189 28.537 28.738 -0.019 0.000 0.963 483 Q HN 1.935 nan 8.270 nan 0.000 0.471 484 G N 1.178 109.967 108.800 -0.018 0.000 2.141 484 G HA2 -0.286 3.674 3.960 0.000 0.000 0.164 484 G HA3 -0.286 3.674 3.960 0.000 0.000 0.164 484 G C 0.794 175.674 174.900 -0.033 0.000 1.009 484 G CA 0.745 45.833 45.100 -0.020 0.000 0.677 484 G HN 0.562 nan 8.290 nan 0.000 0.508 485 S N 0.297 115.970 115.700 -0.045 0.000 2.400 485 S HA -0.177 4.294 4.470 0.000 0.000 0.232 485 S C 1.998 176.565 174.600 -0.054 0.000 1.025 485 S CA 1.675 59.845 58.200 -0.050 0.000 0.993 485 S CB -0.249 62.916 63.200 -0.059 0.000 0.808 485 S HN 0.402 nan 8.310 nan 0.000 0.478 486 N N 1.641 120.302 118.700 -0.065 0.000 2.223 486 N HA -0.033 4.707 4.740 0.000 0.000 0.185 486 N C 1.732 177.212 175.510 -0.049 0.000 1.016 486 N CA 1.797 54.807 53.050 -0.066 0.000 0.863 486 N CB -0.990 37.446 38.487 -0.085 0.000 0.983 486 N HN 0.580 nan 8.380 nan 0.000 0.429 487 T N 1.670 116.200 114.554 -0.040 0.000 2.809 487 T HA -0.026 4.324 4.350 0.000 0.000 0.260 487 T C 1.889 176.567 174.700 -0.036 0.000 1.039 487 T CA 0.549 62.628 62.100 -0.035 0.000 1.141 487 T CB -0.125 68.727 68.868 -0.026 0.000 0.869 487 T HN 0.122 nan 8.240 nan 0.000 0.437 488 M N 2.186 121.766 119.600 -0.034 0.000 2.088 488 M HA -0.153 4.327 4.480 0.000 0.000 0.256 488 M C 2.459 178.743 176.300 -0.028 0.000 1.071 488 M CA 2.361 57.643 55.300 -0.031 0.000 1.097 488 M CB -1.111 31.472 32.600 -0.029 0.000 1.315 488 M HN 0.280 nan 8.290 nan 0.000 0.406 489 A N -0.679 122.122 122.820 -0.033 0.000 1.933 489 A HA -0.131 4.189 4.320 0.000 0.000 0.218 489 A C 2.265 179.835 177.584 -0.023 0.000 1.175 489 A CA 2.235 54.255 52.037 -0.028 0.000 0.628 489 A CB -0.910 18.069 19.000 -0.036 0.000 0.814 489 A HN 0.665 nan 8.150 nan 0.000 0.444 490 S N -0.404 115.277 115.700 -0.032 0.000 2.355 490 S HA -0.191 4.279 4.470 0.000 0.000 0.222 490 S C 2.130 176.707 174.600 -0.038 0.000 1.031 490 S CA 1.452 59.631 58.200 -0.036 0.000 0.993 490 S CB -0.342 62.833 63.200 -0.043 0.000 0.859 490 S HN 0.699 nan 8.310 nan 0.000 0.453 491 Q N 0.462 120.235 119.800 -0.045 0.000 2.030 491 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 491 Q C 2.535 178.500 176.000 -0.058 0.000 0.986 491 Q CA 1.958 57.722 55.803 -0.066 0.000 0.843 491 Q CB -0.602 28.091 28.738 -0.076 0.000 0.904 491 Q HN 0.658 nan 8.270 nan 0.000 0.420 492 V N -2.271 117.648 119.914 0.007 0.000 2.548 492 V HA -0.067 4.053 4.120 0.000 0.000 0.249 492 V C 2.091 178.275 176.094 0.150 0.000 1.055 492 V CA 1.588 63.976 62.300 0.147 0.000 1.065 492 V CB -1.027 30.932 31.823 0.228 0.000 0.681 492 V HN 0.275 nan 8.190 nan 0.000 0.462 493 A N 0.797 123.651 122.820 0.058 0.000 1.898 493 A HA 0.180 4.500 4.320 0.000 0.000 0.216 493 A C 2.490 180.090 177.584 0.027 0.000 1.181 493 A CA 2.069 54.132 52.037 0.044 0.000 0.620 493 A CB -1.040 17.969 19.000 0.014 0.000 0.819 493 A HN 0.923 nan 8.150 nan 0.000 0.442 494 A N -0.234 122.578 122.820 -0.013 0.000 1.933 494 A HA -0.133 4.187 4.320 0.000 0.000 0.218 494 A C 1.951 179.508 177.584 -0.046 0.000 1.175 494 A CA 2.123 54.131 52.037 -0.048 0.000 0.628 494 A CB -0.469 18.483 19.000 -0.079 0.000 0.814 494 A HN 0.534 nan 8.150 nan 0.000 0.444 495 E N 0.090 120.258 120.200 -0.054 0.000 2.038 495 E HA -0.143 4.207 4.350 0.000 0.000 0.195 495 E C 1.839 178.462 176.600 0.037 0.000 1.000 495 E CA 1.793 58.139 56.400 -0.089 0.000 0.803 495 E CB -0.524 28.994 29.700 -0.303 0.000 0.750 495 E HN 0.225 nan 8.360 nan 0.000 0.448 496 V N 0.466 120.472 119.914 0.153 0.000 2.332 496 V HA -0.243 3.878 4.120 0.000 0.000 0.248 496 V C 2.371 178.504 176.094 0.066 0.000 1.055 496 V CA 1.848 64.236 62.300 0.147 0.000 1.038 496 V CB -0.446 31.453 31.823 0.127 0.000 0.651 496 V HN 0.300 nan 8.190 nan 0.000 0.450 497 L N 0.144 121.397 121.223 0.050 0.000 2.554 497 L HA 0.236 4.577 4.340 0.000 0.000 0.226 497 L C 1.760 178.630 176.870 0.001 0.000 1.137 497 L CA 0.911 55.786 54.840 0.059 0.000 0.863 497 L CB -0.533 41.582 42.059 0.094 0.000 0.985 497 L HN 0.543 nan 8.230 nan 0.000 0.451 498 G N 0.568 109.343 108.800 -0.042 0.000 2.160 498 G HA2 -0.249 3.711 3.960 0.000 0.000 0.251 498 G HA3 -0.249 3.711 3.960 0.000 0.000 0.251 498 G C 0.281 175.121 174.900 -0.101 0.000 1.008 498 G CA 0.367 45.417 45.100 -0.084 0.000 0.724 498 G HN 0.289 nan 8.290 nan 0.000 0.514 499 V N -3.751 116.089 119.914 -0.123 0.000 3.193 499 V HA 0.890 5.010 4.120 0.000 0.000 0.320 499 V C 0.747 176.744 176.094 -0.162 0.000 1.112 499 V CA -1.702 60.474 62.300 -0.206 0.000 1.026 499 V CB 1.180 32.781 31.823 -0.371 0.000 1.128 499 V HN 0.315 nan 8.190 nan 0.000 0.452 500 R N 0.175 120.572 120.500 -0.172 0.000 2.490 500 R HA 0.384 4.724 4.340 0.000 0.000 0.278 500 R C 0.948 177.176 176.300 -0.120 0.000 1.069 500 R CA -0.525 55.500 56.100 -0.126 0.000 1.080 500 R CB 0.752 30.987 30.300 -0.108 0.000 1.030 500 R HN 0.755 nan 8.270 nan 0.000 0.491 501 L N 2.191 123.358 121.223 -0.094 0.000 2.051 501 L HA -0.267 4.073 4.340 0.000 0.000 0.214 501 L C 2.004 178.828 176.870 -0.077 0.000 1.076 501 L CA 2.364 57.156 54.840 -0.080 0.000 0.758 501 L CB -0.596 41.422 42.059 -0.067 0.000 0.890 501 L HN 0.868 nan 8.230 nan 0.000 0.433 502 S N -1.242 114.413 115.700 -0.075 0.000 2.469 502 S HA -0.253 4.217 4.470 0.000 0.000 0.238 502 S C 2.095 176.647 174.600 -0.080 0.000 0.998 502 S CA 1.077 59.237 58.200 -0.067 0.000 0.957 502 S CB -0.755 62.410 63.200 -0.059 0.000 0.764 502 S HN 0.598 nan 8.310 nan 0.000 0.514 503 R N 0.408 120.841 120.500 -0.112 0.000 2.299 503 R HA 0.323 4.663 4.340 0.000 0.000 0.197 503 R C -0.227 176.012 176.300 -0.101 0.000 0.971 503 R CA 0.176 56.196 56.100 -0.134 0.000 1.030 503 R CB -0.035 30.121 30.300 -0.240 0.000 0.932 503 R HN 0.455 nan 8.270 nan 0.000 0.477 504 I N 1.685 122.206 120.570 -0.081 0.000 2.339 504 I HA 0.276 4.447 4.170 0.000 0.000 0.290 504 I C -0.179 175.909 176.117 -0.047 0.000 0.994 504 I CA -0.663 60.602 61.300 -0.059 0.000 1.191 504 I CB 1.710 39.677 38.000 -0.055 0.000 1.343 504 I HN -0.055 nan 8.210 nan 0.000 0.458 505 R N 5.169 125.645 120.500 -0.041 0.000 2.255 505 R HA 0.557 4.897 4.340 0.000 0.000 0.326 505 R C -1.036 175.242 176.300 -0.037 0.000 0.986 505 R CA -0.700 55.378 56.100 -0.036 0.000 0.847 505 R CB 2.030 32.310 30.300 -0.033 0.000 1.111 505 R HN 0.351 nan 8.270 nan 0.000 0.452 506 V N 5.634 125.523 119.914 -0.042 0.000 2.407 506 V HA 0.315 4.435 4.120 0.000 0.000 0.278 506 V C 0.161 176.221 176.094 -0.057 0.000 1.037 506 V CA -0.520 61.751 62.300 -0.049 0.000 0.900 506 V CB 1.504 33.293 31.823 -0.058 0.000 0.983 506 V HN 0.567 nan 8.190 nan 0.000 0.459 507 I N 4.927 125.465 120.570 -0.054 0.000 2.378 507 I HA 0.576 4.746 4.170 0.000 0.000 0.291 507 I C 0.184 176.260 176.117 -0.069 0.000 0.992 507 I CA 0.088 61.353 61.300 -0.058 0.000 1.154 507 I CB 1.676 39.651 38.000 -0.042 0.000 1.315 507 I HN 0.780 nan 8.210 nan 0.000 0.448 508 S N 3.616 119.261 115.700 -0.091 0.000 2.564 508 S HA 0.791 5.261 4.470 0.000 0.000 0.274 508 S C 0.007 174.550 174.600 -0.095 0.000 1.124 508 S CA -0.250 57.894 58.200 -0.093 0.000 0.869 508 S CB 2.166 65.298 63.200 -0.113 0.000 1.105 508 S HN 1.405 nan 8.310 nan 0.000 0.472 509 A N 0.610 123.386 122.820 -0.074 0.000 2.519 509 A HA 0.019 4.339 4.320 0.000 0.000 0.297 509 A C -0.088 177.469 177.584 -0.045 0.000 1.472 509 A CA 1.049 53.050 52.037 -0.059 0.000 0.739 509 A CB -2.173 16.779 19.000 -0.081 0.000 1.096 509 A HN 1.140 nan 8.150 nan 0.000 0.414 510 D N -0.204 120.180 120.400 -0.027 0.000 2.479 510 D HA 0.441 5.081 4.640 0.000 0.000 0.246 510 D C 1.128 177.435 176.300 0.012 0.000 1.336 510 D CA 0.329 54.321 54.000 -0.013 0.000 0.967 510 D CB 0.991 41.777 40.800 -0.024 0.000 1.275 510 D HN 0.622 nan 8.370 nan 0.000 0.577 511 S N 2.439 118.168 115.700 0.048 0.000 2.440 511 S HA -0.202 4.268 4.470 0.000 0.000 0.240 511 S C 1.775 176.415 174.600 0.066 0.000 1.014 511 S CA 1.134 59.389 58.200 0.093 0.000 0.980 511 S CB -0.131 63.211 63.200 0.236 0.000 0.775 511 S HN 0.429 nan 8.310 nan 0.000 0.499 512 A N 0.615 123.459 122.820 0.041 0.000 2.123 512 A HA 0.467 4.788 4.320 0.000 0.000 0.214 512 A C 2.054 179.645 177.584 0.012 0.000 1.152 512 A CA 0.665 52.719 52.037 0.029 0.000 0.728 512 A CB -0.281 18.730 19.000 0.018 0.000 0.814 512 A HN 0.573 nan 8.150 nan 0.000 0.464 513 L N -1.124 120.102 121.223 0.004 0.000 2.653 513 L HA 0.147 4.488 4.340 0.000 0.000 0.230 513 L C 0.991 177.854 176.870 -0.012 0.000 1.055 513 L CA 0.697 55.534 54.840 -0.006 0.000 0.880 513 L CB 0.093 42.145 42.059 -0.011 0.000 1.195 513 L HN 0.342 nan 8.230 nan 0.000 0.492 514 T N -1.355 113.190 114.554 -0.015 0.000 2.902 514 T HA 0.497 4.847 4.350 0.000 0.000 0.283 514 T C -2.621 172.061 174.700 -0.029 0.000 1.009 514 T CA -2.076 60.009 62.100 -0.025 0.000 1.051 514 T CB 1.474 70.323 68.868 -0.032 0.000 0.999 514 T HN -0.169 nan 8.240 nan 0.000 0.474 515 P HA 0.127 nan 4.420 nan 0.000 0.271 515 P C -0.165 177.090 177.300 -0.076 0.000 1.216 515 P CA -0.542 62.526 63.100 -0.053 0.000 0.776 515 P CB 0.612 32.283 31.700 -0.049 0.000 0.881 516 K N 2.569 122.901 120.400 -0.112 0.000 2.485 516 K HA -0.004 4.316 4.320 0.000 0.000 0.277 516 K C -0.654 175.825 176.600 -0.201 0.000 0.990 516 K CA 0.550 56.726 56.287 -0.185 0.000 0.994 516 K CB -0.047 32.262 32.500 -0.319 0.000 0.906 516 K HN 0.495 nan 8.250 nan 0.000 0.488 517 D N 1.781 122.063 120.400 -0.196 0.000 2.619 517 D HA 0.262 4.902 4.640 0.000 0.000 0.241 517 D C 0.513 176.716 176.300 -0.162 0.000 1.087 517 D CA -0.595 53.319 54.000 -0.143 0.000 0.851 517 D CB 0.999 41.753 40.800 -0.078 0.000 1.474 517 D HN 0.402 nan 8.370 nan 0.000 0.478 518 N N 1.494 120.148 118.700 -0.078 0.000 2.453 518 N HA 0.163 4.903 4.740 0.000 0.000 0.183 518 N C 0.528 176.111 175.510 0.122 0.000 1.041 518 N CA 1.115 54.221 53.050 0.092 0.000 0.900 518 N CB 0.103 38.735 38.487 0.241 0.000 0.961 518 N HN 0.641 nan 8.380 nan 0.000 0.443 519 G N -1.190 107.634 108.800 0.040 0.000 2.428 519 G HA2 -0.113 3.847 3.960 0.000 0.000 0.681 519 G HA3 -0.113 3.847 3.960 0.000 0.000 0.681 519 G C -1.132 173.788 174.900 0.034 0.000 1.340 519 G CA -0.772 44.358 45.100 0.049 0.000 0.915 519 G HN -0.006 nan 8.290 nan 0.000 0.645 520 S N 1.255 116.977 115.700 0.037 0.000 3.363 520 S HA 0.614 5.084 4.470 0.000 0.000 0.267 520 S C -0.432 174.214 174.600 0.076 0.000 1.288 520 S CA 0.034 58.224 58.200 -0.016 0.000 0.948 520 S CB -0.644 62.531 63.200 -0.042 0.000 1.397 520 S HN 1.225 nan 8.310 nan 0.000 0.493 521 Y N -1.056 119.259 120.300 0.024 0.000 2.597 521 Y HA 0.607 5.158 4.550 0.000 0.000 0.340 521 Y C 0.402 176.370 175.900 0.112 0.000 1.097 521 Y CA -0.888 57.251 58.100 0.064 0.000 1.037 521 Y CB 0.527 39.064 38.460 0.128 0.000 1.305 521 Y HN 0.395 nan 8.280 nan 0.000 0.463 522 S N -0.263 115.580 115.700 0.237 0.000 3.402 522 S HA -0.332 4.138 4.470 0.000 0.000 0.329 522 S C 0.292 174.977 174.600 0.142 0.000 1.194 522 S CA 0.991 59.367 58.200 0.293 0.000 0.951 522 S CB -2.785 60.612 63.200 0.329 0.000 0.975 522 S HN 2.014 nan 8.310 nan 0.000 0.574 523 S N -0.192 115.536 115.700 0.046 0.000 3.631 523 S HA -0.283 4.187 4.470 0.000 0.000 0.366 523 S C 1.101 175.682 174.600 -0.032 0.000 0.993 523 S CA 1.262 59.475 58.200 0.022 0.000 1.167 523 S CB -1.480 61.781 63.200 0.102 0.000 0.909 523 S HN 1.212 nan 8.310 nan 0.000 0.478 524 R N -1.029 119.394 120.500 -0.128 0.000 2.280 524 R HA 0.231 4.571 4.340 0.000 0.000 0.195 524 R C 1.638 177.907 176.300 -0.052 0.000 0.935 524 R CA 0.641 56.666 56.100 -0.125 0.000 1.033 524 R CB -0.217 29.924 30.300 -0.266 0.000 0.964 524 R HN 0.372 nan 8.270 nan 0.000 0.489 525 V N 1.569 121.443 119.914 -0.066 0.000 2.244 525 V HA -0.225 3.895 4.120 0.000 0.000 0.244 525 V C 2.090 178.174 176.094 -0.017 0.000 1.042 525 V CA 2.434 64.707 62.300 -0.044 0.000 1.006 525 V CB -0.674 31.115 31.823 -0.057 0.000 0.641 525 V HN 0.390 nan 8.190 nan 0.000 0.446 526 T N 0.012 114.563 114.554 -0.004 0.000 2.684 526 T HA -0.241 4.109 4.350 0.000 0.000 0.267 526 T C 1.696 176.371 174.700 -0.042 0.000 1.036 526 T CA 2.216 64.306 62.100 -0.016 0.000 1.148 526 T CB -0.464 68.404 68.868 0.001 0.000 0.863 526 T HN 0.385 nan 8.240 nan 0.000 0.436 527 F N 1.093 120.968 119.950 -0.125 0.000 2.075 527 F HA -0.085 4.442 4.527 0.000 0.000 0.297 527 F C 2.393 178.015 175.800 -0.296 0.000 1.113 527 F CA 1.529 59.411 58.000 -0.196 0.000 1.218 527 F CB -0.187 38.711 39.000 -0.170 0.000 0.984 527 F HN 0.077 nan 8.300 nan 0.000 0.472 528 M N -1.168 118.498 119.600 0.110 0.000 2.134 528 M HA -0.126 4.354 4.480 0.000 0.000 0.262 528 M C 1.987 178.286 176.300 -0.003 0.000 1.076 528 M CA 1.121 56.472 55.300 0.086 0.000 1.143 528 M CB -0.565 32.182 32.600 0.244 0.000 1.346 528 M HN -0.040 nan 8.290 nan 0.000 0.421 529 V N 0.460 120.367 119.914 -0.012 0.000 2.667 529 V HA -0.107 4.013 4.120 0.000 0.000 0.252 529 V C 2.544 178.597 176.094 -0.069 0.000 1.065 529 V CA 1.950 64.234 62.300 -0.026 0.000 1.083 529 V CB -1.419 30.386 31.823 -0.030 0.000 0.692 529 V HN 0.630 nan 8.190 nan 0.000 0.468 530 G N -0.124 108.608 108.800 -0.114 0.000 2.402 530 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 530 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 530 G C 1.414 176.195 174.900 -0.199 0.000 1.162 530 G CA 0.994 46.013 45.100 -0.135 0.000 0.777 530 G HN 0.582 nan 8.290 nan 0.000 0.539 531 N N 0.500 119.000 118.700 -0.332 0.000 2.188 531 N HA 0.002 4.742 4.740 0.000 0.000 0.184 531 N C 2.533 177.956 175.510 -0.144 0.000 1.018 531 N CA 0.690 53.508 53.050 -0.386 0.000 0.858 531 N CB -0.086 37.886 38.487 -0.859 0.000 0.989 531 N HN 0.335 nan 8.380 nan 0.000 0.426 532 A N 0.103 122.894 122.820 -0.050 0.000 1.930 532 A HA -0.113 4.207 4.320 0.000 0.000 0.217 532 A C 2.236 179.812 177.584 -0.013 0.000 1.175 532 A CA 1.464 53.515 52.037 0.024 0.000 0.627 532 A CB -0.634 18.396 19.000 0.051 0.000 0.815 532 A HN 0.268 nan 8.150 nan 0.000 0.443 533 S N -0.458 115.221 115.700 -0.035 0.000 2.368 533 S HA -0.086 4.385 4.470 0.000 0.000 0.224 533 S C 1.917 176.504 174.600 -0.022 0.000 1.029 533 S CA 1.237 59.423 58.200 -0.024 0.000 0.988 533 S CB -0.478 62.708 63.200 -0.024 0.000 0.838 533 S HN 0.484 nan 8.310 nan 0.000 0.462 534 I N 1.085 121.623 120.570 -0.053 0.000 2.163 534 I HA -0.169 4.002 4.170 0.000 0.000 0.243 534 I C 2.780 178.865 176.117 -0.054 0.000 1.085 534 I CA 1.487 62.745 61.300 -0.070 0.000 1.347 534 I CB -0.468 37.411 38.000 -0.202 0.000 1.044 534 I HN 0.389 nan 8.210 nan 0.000 0.408 535 S N 0.488 116.159 115.700 -0.048 0.000 2.370 535 S HA -0.211 4.259 4.470 0.000 0.000 0.226 535 S C 2.186 176.783 174.600 -0.007 0.000 1.033 535 S CA 1.511 59.697 58.200 -0.022 0.000 1.011 535 S CB -0.223 62.978 63.200 0.003 0.000 0.852 535 S HN 0.472 nan 8.310 nan 0.000 0.457 536 A N 1.349 124.168 122.820 -0.002 0.000 1.898 536 A HA 0.250 4.570 4.320 0.000 0.000 0.216 536 A C 2.504 180.098 177.584 0.017 0.000 1.181 536 A CA 1.802 53.842 52.037 0.006 0.000 0.620 536 A CB -1.432 17.570 19.000 0.004 0.000 0.819 536 A HN 0.812 nan 8.150 nan 0.000 0.442 537 A N 0.068 122.899 122.820 0.019 0.000 1.933 537 A HA -0.175 4.145 4.320 0.000 0.000 0.218 537 A C 1.913 179.523 177.584 0.043 0.000 1.175 537 A CA 1.604 53.664 52.037 0.039 0.000 0.628 537 A CB -0.476 18.550 19.000 0.044 0.000 0.814 537 A HN 0.616 nan 8.150 nan 0.000 0.444 538 E N -0.143 120.071 120.200 0.023 0.000 2.072 538 E HA -0.179 4.172 4.350 0.000 0.000 0.191 538 E C 1.817 178.434 176.600 0.029 0.000 0.985 538 E CA 1.024 57.437 56.400 0.022 0.000 0.801 538 E CB -0.298 29.402 29.700 -0.001 0.000 0.750 538 E HN 0.592 nan 8.360 nan 0.000 0.452 539 E N 1.036 121.249 120.200 0.022 0.000 2.038 539 E HA -0.186 4.164 4.350 0.000 0.000 0.195 539 E C 2.236 178.857 176.600 0.034 0.000 1.000 539 E CA 0.688 57.101 56.400 0.022 0.000 0.803 539 E CB -0.361 29.348 29.700 0.014 0.000 0.750 539 E HN 0.142 nan 8.360 nan 0.000 0.448 540 L N 1.750 123.000 121.223 0.045 0.000 2.046 540 L HA -0.144 4.196 4.340 0.000 0.000 0.208 540 L C 2.293 179.217 176.870 0.090 0.000 1.077 540 L CA 1.852 56.729 54.840 0.062 0.000 0.747 540 L CB -0.443 41.662 42.059 0.078 0.000 0.896 540 L HN -0.023 nan 8.230 nan 0.000 0.432 541 K N -0.813 119.650 120.400 0.105 0.000 2.063 541 K HA -0.161 4.159 4.320 0.000 0.000 0.208 541 K C 1.956 178.629 176.600 0.122 0.000 1.048 541 K CA 1.421 57.794 56.287 0.142 0.000 0.928 541 K CB -0.594 31.970 32.500 0.107 0.000 0.713 541 K HN 0.534 nan 8.250 nan 0.000 0.442 542 G N 0.338 109.183 108.800 0.075 0.000 2.422 542 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 542 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 542 G C 1.462 176.387 174.900 0.042 0.000 1.146 542 G CA 0.764 45.897 45.100 0.056 0.000 0.769 542 G HN 0.201 nan 8.290 nan 0.000 0.547 543 V N 0.754 120.686 119.914 0.031 0.000 2.427 543 V HA -0.073 4.047 4.120 0.000 0.000 0.248 543 V C 2.854 178.934 176.094 -0.024 0.000 1.051 543 V CA 1.269 63.570 62.300 0.002 0.000 1.048 543 V CB -0.275 31.546 31.823 -0.003 0.000 0.666 543 V HN 0.342 nan 8.190 nan 0.000 0.456 544 L N -0.873 120.345 121.223 -0.008 0.000 2.072 544 L HA -0.078 4.263 4.340 0.000 0.000 0.205 544 L C 2.479 179.299 176.870 -0.083 0.000 1.079 544 L CA 0.848 55.623 54.840 -0.108 0.000 0.752 544 L CB -0.604 41.422 42.059 -0.054 0.000 0.906 544 L HN 0.160 nan 8.230 nan 0.000 0.436 545 V N 0.548 120.541 119.914 0.131 0.000 2.407 545 V HA -0.319 3.801 4.120 0.000 0.000 0.248 545 V C 2.616 178.744 176.094 0.056 0.000 1.055 545 V CA 2.024 64.433 62.300 0.180 0.000 1.049 545 V CB -0.488 31.442 31.823 0.179 0.000 0.662 545 V HN 0.460 nan 8.190 nan 0.000 0.455 546 K N 0.353 120.764 120.400 0.018 0.000 2.057 546 K HA -0.158 4.162 4.320 0.000 0.000 0.207 546 K C 2.118 178.696 176.600 -0.037 0.000 1.049 546 K CA 1.642 57.926 56.287 -0.005 0.000 0.931 546 K CB -0.335 32.160 32.500 -0.008 0.000 0.714 546 K HN 0.411 nan 8.250 nan 0.000 0.440 547 A N 0.888 123.661 122.820 -0.079 0.000 1.930 547 A HA -0.000 4.320 4.320 0.000 0.000 0.217 547 A C 2.331 179.835 177.584 -0.132 0.000 1.175 547 A CA 1.570 53.539 52.037 -0.113 0.000 0.627 547 A CB -0.763 18.141 19.000 -0.159 0.000 0.815 547 A HN 0.484 nan 8.150 nan 0.000 0.443 548 A N 0.007 122.723 122.820 -0.174 0.000 1.902 548 A HA 0.168 4.489 4.320 0.000 0.000 0.217 548 A C 2.500 180.064 177.584 -0.034 0.000 1.181 548 A CA 2.035 53.982 52.037 -0.149 0.000 0.623 548 A CB -1.011 17.899 19.000 -0.151 0.000 0.818 548 A HN 1.016 nan 8.150 nan 0.000 0.443 549 A N -0.140 122.679 122.820 -0.001 0.000 1.902 549 A HA -0.193 4.127 4.320 0.000 0.000 0.217 549 A C 2.142 179.723 177.584 -0.004 0.000 1.181 549 A CA 2.098 54.144 52.037 0.014 0.000 0.623 549 A CB -0.476 18.537 19.000 0.022 0.000 0.818 549 A HN 0.565 nan 8.150 nan 0.000 0.443 550 K N -0.300 120.089 120.400 -0.019 0.000 2.057 550 K HA -0.154 4.166 4.320 0.000 0.000 0.207 550 K C 2.140 178.725 176.600 -0.025 0.000 1.049 550 K CA 1.792 58.066 56.287 -0.022 0.000 0.931 550 K CB -0.155 32.327 32.500 -0.030 0.000 0.714 550 K HN 0.432 nan 8.250 nan 0.000 0.440 551 K N 0.324 120.701 120.400 -0.038 0.000 2.167 551 K HA 0.002 4.322 4.320 0.000 0.000 0.203 551 K C 1.699 178.287 176.600 -0.020 0.000 1.052 551 K CA 0.652 56.917 56.287 -0.036 0.000 0.956 551 K CB 0.163 32.628 32.500 -0.058 0.000 0.735 551 K HN 0.159 nan 8.250 nan 0.000 0.451 552 L N 0.634 121.851 121.223 -0.010 0.000 2.591 552 L HA 0.003 4.343 4.340 0.000 0.000 0.228 552 L C -0.009 176.865 176.870 0.006 0.000 1.133 552 L CA 0.163 55.006 54.840 0.005 0.000 0.880 552 L CB 0.026 42.098 42.059 0.022 0.000 1.033 552 L HN 0.279 nan 8.230 nan 0.000 0.450 553 D N 0.724 121.124 120.400 0.001 0.000 2.723 553 D HA -0.157 4.483 4.640 0.000 0.000 0.236 553 D C 0.092 176.397 176.300 0.007 0.000 1.138 553 D CA 0.828 54.829 54.000 0.002 0.000 0.676 553 D CB -0.241 40.560 40.800 0.001 0.000 1.069 553 D HN 0.417 nan 8.370 nan 0.000 0.430 554 A N 0.074 122.900 122.820 0.011 0.000 2.389 554 A HA 0.792 5.112 4.320 0.000 0.000 0.293 554 A C 0.267 177.860 177.584 0.016 0.000 1.186 554 A CA -0.644 51.403 52.037 0.016 0.000 0.828 554 A CB 1.333 20.348 19.000 0.025 0.000 1.369 554 A HN 0.132 nan 8.150 nan 0.000 0.446 555 R N -0.065 120.445 120.500 0.018 0.000 2.500 555 R HA 0.275 4.616 4.340 0.000 0.000 0.275 555 R C 0.398 176.713 176.300 0.025 0.000 1.051 555 R CA -0.318 55.792 56.100 0.017 0.000 1.088 555 R CB 0.811 31.120 30.300 0.015 0.000 1.063 555 R HN 0.876 nan 8.270 nan 0.000 0.511 556 E N 1.549 121.764 120.200 0.024 0.000 2.110 556 E HA -0.224 4.126 4.350 0.000 0.000 0.193 556 E C 1.065 177.686 176.600 0.035 0.000 0.988 556 E CA 1.494 57.914 56.400 0.034 0.000 0.804 556 E CB 0.203 29.920 29.700 0.029 0.000 0.745 556 E HN 0.529 nan 8.360 nan 0.000 0.458 557 E N 0.915 121.130 120.200 0.025 0.000 2.265 557 E HA -0.165 4.186 4.350 0.000 0.000 0.196 557 E C 1.351 177.963 176.600 0.021 0.000 0.996 557 E CA 1.010 57.423 56.400 0.021 0.000 0.832 557 E CB -0.009 29.700 29.700 0.015 0.000 0.756 557 E HN 0.211 nan 8.360 nan 0.000 0.491 558 D N 0.255 120.669 120.400 0.024 0.000 2.224 558 D HA -0.049 4.591 4.640 0.000 0.000 0.205 558 D C 0.432 176.750 176.300 0.029 0.000 0.965 558 D CA 0.437 54.451 54.000 0.023 0.000 0.852 558 D CB 0.083 40.896 40.800 0.023 0.000 0.947 558 D HN 0.132 nan 8.370 nan 0.000 0.494 559 I N 1.928 122.525 120.570 0.044 0.000 2.618 559 I HA 0.051 4.221 4.170 0.000 0.000 0.284 559 I C 0.705 176.834 176.117 0.020 0.000 1.146 559 I CA 0.227 61.563 61.300 0.061 0.000 1.425 559 I CB 0.051 38.126 38.000 0.125 0.000 1.383 559 I HN -0.158 nan 8.210 nan 0.000 0.562 560 E N 4.684 124.878 120.200 -0.011 0.000 2.222 560 E HA 0.503 4.853 4.350 0.000 0.000 0.267 560 E C -1.252 175.246 176.600 -0.169 0.000 0.884 560 E CA -0.728 55.633 56.400 -0.065 0.000 0.764 560 E CB 2.784 32.460 29.700 -0.041 0.000 1.169 560 E HN 0.273 nan 8.360 nan 0.000 0.413 561 V N 5.096 124.859 119.914 -0.251 0.000 2.334 561 V HA 0.424 4.544 4.120 0.000 0.000 0.281 561 V C -0.293 175.664 176.094 -0.228 0.000 1.016 561 V CA -0.481 61.562 62.300 -0.427 0.000 0.832 561 V CB 0.463 31.917 31.823 -0.616 0.000 0.999 561 V HN 0.510 nan 8.190 nan 0.000 0.439 562 I N 2.627 123.095 120.570 -0.169 0.000 2.478 562 I HA 0.461 4.631 4.170 0.000 0.000 0.287 562 I C -0.309 175.768 176.117 -0.067 0.000 1.042 562 I CA -0.818 60.425 61.300 -0.096 0.000 1.067 562 I CB 1.676 39.640 38.000 -0.061 0.000 1.233 562 I HN 0.570 nan 8.210 nan 0.000 0.431 563 D N 5.107 125.469 120.400 -0.063 0.000 2.740 563 D HA -0.193 4.447 4.640 0.000 0.000 0.231 563 D C -0.069 176.221 176.300 -0.015 0.000 1.194 563 D CA 0.971 54.944 54.000 -0.045 0.000 0.673 563 D CB -0.646 40.134 40.800 -0.032 0.000 0.995 563 D HN 0.818 nan 8.370 nan 0.000 0.411 564 E N -2.438 117.756 120.200 -0.010 0.000 2.791 564 E HA -0.258 4.092 4.350 0.000 0.000 0.271 564 E C -0.268 176.467 176.600 0.224 0.000 1.044 564 E CA 0.593 57.060 56.400 0.112 0.000 0.814 564 E CB -0.611 29.119 29.700 0.049 0.000 1.400 564 E HN 0.449 nan 8.360 nan 0.000 0.423 565 M N 0.197 119.864 119.600 0.111 0.000 2.326 565 M HA 0.427 4.908 4.480 0.000 0.000 0.306 565 M C -0.597 175.754 176.300 0.085 0.000 1.054 565 M CA -0.504 54.891 55.300 0.159 0.000 0.922 565 M CB 1.018 33.665 32.600 0.079 0.000 1.632 565 M HN -0.059 nan 8.290 nan 0.000 0.436 566 F N 5.022 125.001 119.950 0.048 0.000 2.385 566 F HA 0.631 5.158 4.527 0.000 0.000 0.360 566 F C 0.445 176.256 175.800 0.018 0.000 1.122 566 F CA -0.478 57.540 58.000 0.030 0.000 1.090 566 F CB 0.881 39.886 39.000 0.008 0.000 1.150 566 F HN 0.506 nan 8.300 nan 0.000 0.472 567 M N 1.336 121.005 119.600 0.114 0.000 2.667 567 M HA 0.770 5.250 4.480 0.000 0.000 0.286 567 M C -1.605 174.728 176.300 0.056 0.000 1.270 567 M CA -1.211 54.136 55.300 0.079 0.000 0.826 567 M CB 1.916 34.543 32.600 0.046 0.000 1.743 567 M HN -0.002 nan 8.290 nan 0.000 0.460 568 V N 1.758 121.698 119.914 0.044 0.000 2.498 568 V HA 0.175 4.295 4.120 0.000 0.000 0.279 568 V C 0.624 176.730 176.094 0.021 0.000 1.048 568 V CA -0.310 62.010 62.300 0.033 0.000 0.967 568 V CB 1.230 33.070 31.823 0.029 0.000 0.988 568 V HN 0.978 nan 8.190 nan 0.000 0.473 569 S N 4.748 120.458 115.700 0.016 0.000 2.673 569 S HA 0.198 4.668 4.470 0.000 0.000 0.308 569 S C 1.105 175.710 174.600 0.009 0.000 1.246 569 S CA 0.402 58.607 58.200 0.009 0.000 1.077 569 S CB -0.649 62.556 63.200 0.008 0.000 0.814 569 S HN 2.103 nan 8.310 nan 0.000 0.503 570 G N 3.835 112.639 108.800 0.007 0.000 2.325 570 G HA2 -0.168 3.792 3.960 0.000 0.000 0.274 570 G HA3 -0.168 3.792 3.960 0.000 0.000 0.274 570 G C -0.104 174.801 174.900 0.009 0.000 0.921 570 G CA 0.536 45.639 45.100 0.006 0.000 1.340 570 G HN 1.150 nan 8.290 nan 0.000 0.447 571 S N -0.141 115.566 115.700 0.010 0.000 2.588 571 S HA 0.605 5.075 4.470 0.000 0.000 0.275 571 S C 1.274 175.881 174.600 0.012 0.000 1.130 571 S CA 0.362 58.569 58.200 0.012 0.000 0.855 571 S CB 1.332 64.541 63.200 0.016 0.000 1.116 571 S HN 0.724 nan 8.310 nan 0.000 0.472 572 Q N 1.276 121.082 119.800 0.011 0.000 2.083 572 Q HA 0.027 4.367 4.340 0.000 0.000 0.198 572 Q C 0.126 176.135 176.000 0.014 0.000 0.969 572 Q CA 0.630 56.439 55.803 0.011 0.000 0.838 572 Q CB -0.547 28.196 28.738 0.009 0.000 0.900 572 Q HN 0.651 nan 8.270 nan 0.000 0.436 573 D N 2.254 122.663 120.400 0.016 0.000 2.648 573 D HA -0.056 4.584 4.640 0.000 0.000 0.229 573 D C -1.512 174.802 176.300 0.023 0.000 1.119 573 D CA -0.687 53.325 54.000 0.019 0.000 0.850 573 D CB 1.164 41.977 40.800 0.022 0.000 1.169 573 D HN 0.063 nan 8.370 nan 0.000 0.489 574 P HA 0.055 nan 4.420 nan 0.000 0.218 574 P C 0.340 177.665 177.300 0.041 0.000 1.149 574 P CA 0.993 64.110 63.100 0.028 0.000 0.817 574 P CB 0.120 31.836 31.700 0.026 0.000 0.785 575 G N -1.435 107.393 108.800 0.047 0.000 2.549 575 G HA2 -0.104 3.857 3.960 0.000 0.000 0.404 575 G HA3 -0.104 3.857 3.960 0.000 0.000 0.404 575 G C -1.369 173.576 174.900 0.076 0.000 1.292 575 G CA -0.897 44.246 45.100 0.071 0.000 0.935 575 G HN 0.175 nan 8.290 nan 0.000 0.512 576 L N 0.768 122.058 121.223 0.111 0.000 2.334 576 L HA 0.650 4.990 4.340 0.000 0.000 0.276 576 L C 1.309 178.268 176.870 0.148 0.000 1.014 576 L CA -0.443 54.448 54.840 0.085 0.000 0.815 576 L CB 1.972 44.042 42.059 0.018 0.000 1.268 576 L HN 1.026 nan 8.230 nan 0.000 0.428 577 S N 0.727 116.493 115.700 0.109 0.000 2.600 577 S HA 0.121 4.591 4.470 0.000 0.000 0.265 577 S C 0.853 175.570 174.600 0.194 0.000 1.325 577 S CA -0.367 57.930 58.200 0.161 0.000 1.002 577 S CB 0.627 63.895 63.200 0.112 0.000 0.921 577 S HN 0.560 nan 8.310 nan 0.000 0.554 578 F N 1.434 121.474 119.950 0.151 0.000 2.126 578 F HA -0.105 4.422 4.527 0.000 0.000 0.299 578 F C 2.673 178.485 175.800 0.020 0.000 1.096 578 F CA 2.184 60.280 58.000 0.160 0.000 1.255 578 F CB -0.475 38.627 39.000 0.170 0.000 0.997 578 F HN 0.715 nan 8.300 nan 0.000 0.479 579 Q N 0.885 120.783 119.800 0.163 0.000 2.124 579 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 579 Q C 1.982 177.943 176.000 -0.066 0.000 0.977 579 Q CA 2.166 57.999 55.803 0.050 0.000 0.850 579 Q CB -0.376 28.419 28.738 0.095 0.000 0.901 579 Q HN 0.588 nan 8.270 nan 0.000 0.429 580 E N -1.073 119.092 120.200 -0.058 0.000 2.110 580 E HA -0.141 4.209 4.350 0.000 0.000 0.193 580 E C 1.925 178.412 176.600 -0.188 0.000 0.988 580 E CA 1.383 57.730 56.400 -0.087 0.000 0.804 580 E CB 0.025 29.694 29.700 -0.052 0.000 0.745 580 E HN 0.197 nan 8.360 nan 0.000 0.458 581 V N 0.855 120.571 119.914 -0.330 0.000 2.427 581 V HA -0.207 3.913 4.120 0.000 0.000 0.248 581 V C 2.313 178.127 176.094 -0.466 0.000 1.051 581 V CA 1.127 63.112 62.300 -0.524 0.000 1.048 581 V CB -0.290 30.908 31.823 -1.041 0.000 0.666 581 V HN 0.128 nan 8.190 nan 0.000 0.456 582 V N -0.100 119.528 119.914 -0.477 0.000 2.295 582 V HA -0.312 3.809 4.120 0.000 0.000 0.246 582 V C 2.466 178.456 176.094 -0.173 0.000 1.049 582 V CA 2.384 64.481 62.300 -0.340 0.000 1.024 582 V CB -0.634 31.032 31.823 -0.263 0.000 0.648 582 V HN 0.530 nan 8.190 nan 0.000 0.447 583 K N -0.112 120.212 120.400 -0.127 0.000 2.032 583 K HA -0.209 4.111 4.320 0.000 0.000 0.209 583 K C 2.227 178.779 176.600 -0.080 0.000 1.048 583 K CA 1.662 57.913 56.287 -0.060 0.000 0.927 583 K CB -0.345 32.132 32.500 -0.039 0.000 0.712 583 K HN 0.445 nan 8.250 nan 0.000 0.441 584 A N 0.973 123.719 122.820 -0.122 0.000 1.902 584 A HA -0.113 4.207 4.320 0.000 0.000 0.217 584 A C 2.290 179.808 177.584 -0.111 0.000 1.181 584 A CA 1.903 53.872 52.037 -0.114 0.000 0.623 584 A CB -0.767 18.148 19.000 -0.142 0.000 0.818 584 A HN 0.468 nan 8.150 nan 0.000 0.443 585 A N -1.077 121.654 122.820 -0.149 0.000 2.019 585 A HA -0.105 4.215 4.320 0.000 0.000 0.219 585 A C 2.077 179.617 177.584 -0.074 0.000 1.164 585 A CA 1.818 53.780 52.037 -0.126 0.000 0.644 585 A CB -0.459 18.438 19.000 -0.173 0.000 0.805 585 A HN 0.441 nan 8.150 nan 0.000 0.449 586 M N -0.161 119.406 119.600 -0.056 0.000 2.319 586 M HA 0.018 4.498 4.480 0.000 0.000 0.265 586 M C 0.664 176.952 176.300 -0.019 0.000 1.068 586 M CA 0.503 55.793 55.300 -0.018 0.000 1.118 586 M CB -1.093 31.517 32.600 0.017 0.000 1.395 586 M HN 0.093 nan 8.290 nan 0.000 0.435 587 V N 3.110 123.006 119.914 -0.031 0.000 2.557 587 V HA -0.102 4.018 4.120 0.000 0.000 0.301 587 V C 0.660 176.739 176.094 -0.025 0.000 1.026 587 V CA 0.461 62.744 62.300 -0.028 0.000 1.137 587 V CB -0.235 31.568 31.823 -0.034 0.000 0.917 587 V HN 0.524 nan 8.190 nan 0.000 0.484 588 D N 2.638 123.026 120.400 -0.020 0.000 3.077 588 D HA -0.190 4.450 4.640 0.000 0.000 0.217 588 D C 1.202 177.493 176.300 -0.015 0.000 1.162 588 D CA 1.640 55.630 54.000 -0.017 0.000 0.943 588 D CB -1.044 39.745 40.800 -0.018 0.000 1.122 588 D HN 0.754 nan 8.370 nan 0.000 0.413 589 S N -1.744 113.948 115.700 -0.013 0.000 3.325 589 S HA 0.463 4.933 4.470 0.000 0.000 0.254 589 S C 1.059 175.659 174.600 -0.000 0.000 1.084 589 S CA 1.655 59.850 58.200 -0.009 0.000 0.786 589 S CB 0.686 63.877 63.200 -0.015 0.000 0.849 589 S HN 1.077 nan 8.310 nan 0.000 0.483 590 G N 0.941 109.744 108.800 0.006 0.000 2.698 590 G HA2 -0.217 3.743 3.960 0.000 0.000 0.233 590 G HA3 -0.217 3.743 3.960 0.000 0.000 0.233 590 G C -0.257 174.661 174.900 0.030 0.000 1.352 590 G CA -0.329 44.785 45.100 0.024 0.000 0.879 590 G HN 1.024 nan 8.290 nan 0.000 0.567 591 T N 0.526 115.107 114.554 0.046 0.000 2.777 591 T HA 0.236 4.586 4.350 0.000 0.000 0.273 591 T C 0.903 175.616 174.700 0.020 0.000 1.016 591 T CA 1.068 63.192 62.100 0.041 0.000 1.156 591 T CB -0.181 68.712 68.868 0.043 0.000 1.019 591 T HN 0.630 nan 8.240 nan 0.000 0.503 592 I N 3.891 124.470 120.570 0.015 0.000 2.353 592 I HA 0.386 4.556 4.170 0.000 0.000 0.293 592 I C 0.714 176.838 176.117 0.011 0.000 0.992 592 I CA -0.590 60.715 61.300 0.008 0.000 1.268 592 I CB 1.284 39.287 38.000 0.004 0.000 1.387 592 I HN 0.692 nan 8.210 nan 0.000 0.478 593 T N 3.618 118.177 114.554 0.008 0.000 2.928 593 T HA 0.723 5.073 4.350 0.000 0.000 0.296 593 T C -0.517 174.186 174.700 0.005 0.000 1.000 593 T CA -0.762 61.342 62.100 0.007 0.000 0.989 593 T CB 1.489 70.359 68.868 0.004 0.000 1.005 593 T HN 0.413 nan 8.240 nan 0.000 0.442 594 V N -0.280 119.638 119.914 0.006 0.000 3.074 594 V HA 0.867 4.987 4.120 0.000 0.000 0.314 594 V C -0.713 175.382 176.094 0.001 0.000 1.117 594 V CA -1.270 61.033 62.300 0.005 0.000 1.014 594 V CB 2.052 33.882 31.823 0.012 0.000 1.057 594 V HN 1.196 nan 8.190 nan 0.000 0.438 595 K N 0.988 121.387 120.400 -0.002 0.000 2.397 595 K HA 0.775 5.095 4.320 0.000 0.000 0.253 595 K C -0.400 176.197 176.600 -0.005 0.000 0.932 595 K CA -0.179 56.104 56.287 -0.007 0.000 0.795 595 K CB 1.957 34.450 32.500 -0.012 0.000 1.159 595 K HN 1.289 nan 8.250 nan 0.000 0.424 596 G N 1.429 110.227 108.800 -0.003 0.000 2.495 596 G HA2 0.608 4.568 3.960 0.000 0.000 0.318 596 G HA3 0.608 4.568 3.960 0.000 0.000 0.318 596 G C -0.900 174.005 174.900 0.008 0.000 1.257 596 G CA -0.576 44.525 45.100 0.002 0.000 0.962 596 G HN 0.641 nan 8.290 nan 0.000 0.483 597 T N -1.774 112.791 114.554 0.018 0.000 2.841 597 T HA 0.714 5.065 4.350 0.000 0.000 0.296 597 T C -1.647 173.107 174.700 0.089 0.000 1.166 597 T CA -0.889 61.228 62.100 0.029 0.000 1.007 597 T CB 2.194 71.051 68.868 -0.019 0.000 1.253 597 T HN 0.843 nan 8.240 nan 0.000 0.511 598 Y N -0.204 120.070 120.300 -0.042 0.000 2.513 598 Y HA 0.622 5.172 4.550 0.000 0.000 0.340 598 Y C -1.362 174.496 175.900 -0.070 0.000 1.055 598 Y CA -0.428 57.649 58.100 -0.038 0.000 1.020 598 Y CB 2.428 40.885 38.460 -0.004 0.000 1.301 598 Y HN 1.035 nan 8.280 nan 0.000 0.453 599 T N 4.590 118.470 114.554 -1.123 0.000 2.971 599 T HA 0.304 4.654 4.350 0.000 0.000 0.304 599 T C -1.218 172.921 174.700 -0.935 0.000 1.038 599 T CA -0.502 60.993 62.100 -1.008 0.000 1.007 599 T CB 0.611 69.037 68.868 -0.736 0.000 1.055 599 T HN 0.748 nan 8.240 nan 0.000 0.451 600 C N 5.022 124.127 119.300 -0.326 0.000 2.648 600 C HA 0.284 4.744 4.460 0.000 0.000 0.419 600 C C -1.752 173.255 174.990 0.028 0.000 1.352 600 C CA -0.907 58.119 59.018 0.014 0.000 1.816 600 C CB -0.721 27.189 27.740 0.282 0.000 2.598 600 C HN 0.614 nan 8.230 nan 0.000 0.598 601 P HA 0.112 nan 4.420 nan 0.000 0.268 601 P C 0.908 178.329 177.300 0.202 0.000 1.205 601 P CA 0.327 63.518 63.100 0.152 0.000 0.771 601 P CB 0.425 32.291 31.700 0.277 0.000 0.858 602 T N 1.369 115.989 114.554 0.110 0.000 2.721 602 T HA -0.225 4.125 4.350 0.000 0.000 0.268 602 T C 1.259 175.986 174.700 0.045 0.000 1.038 602 T CA 1.884 64.025 62.100 0.068 0.000 1.145 602 T CB -0.619 68.259 68.868 0.017 0.000 0.858 602 T HN 0.619 nan 8.240 nan 0.000 0.459 603 E N 0.694 120.911 120.200 0.029 0.000 2.265 603 E HA -0.087 4.264 4.350 0.000 0.000 0.196 603 E C 1.137 177.589 176.600 -0.247 0.000 0.996 603 E CA 0.942 57.264 56.400 -0.129 0.000 0.832 603 E CB -0.489 29.083 29.700 -0.214 0.000 0.756 603 E HN 0.536 nan 8.360 nan 0.000 0.491 604 F N 1.054 121.002 119.950 -0.003 0.000 2.732 604 F HA 0.175 4.702 4.527 0.000 0.000 0.303 604 F C 1.132 176.913 175.800 -0.031 0.000 1.110 604 F CA 0.142 58.133 58.000 -0.016 0.000 1.355 604 F CB 0.295 39.285 39.000 -0.018 0.000 1.081 604 F HN -0.096 nan 8.300 nan 0.000 0.565 605 Q N 0.413 120.265 119.800 0.087 0.000 2.211 605 Q HA 0.377 4.717 4.340 0.000 0.000 0.231 605 Q C 1.060 177.044 176.000 -0.026 0.000 0.865 605 Q CA 0.129 55.954 55.803 0.036 0.000 0.997 605 Q CB 0.382 29.143 28.738 0.038 0.000 1.101 605 Q HN 0.430 nan 8.270 nan 0.000 0.468 606 G N 1.741 110.514 108.800 -0.044 0.000 2.584 606 G HA2 -0.233 3.727 3.960 0.000 0.000 0.229 606 G HA3 -0.233 3.727 3.960 0.000 0.000 0.229 606 G C -1.125 173.703 174.900 -0.120 0.000 1.320 606 G CA -0.385 44.658 45.100 -0.095 0.000 0.891 606 G HN 0.342 nan 8.290 nan 0.000 0.573 607 D N 0.050 120.358 120.400 -0.153 0.000 2.481 607 D HA 0.449 5.089 4.640 0.000 0.000 0.246 607 D C 1.398 177.622 176.300 -0.128 0.000 1.109 607 D CA -0.599 53.319 54.000 -0.135 0.000 0.845 607 D CB 1.359 42.072 40.800 -0.143 0.000 1.160 607 D HN 0.484 nan 8.370 nan 0.000 0.534 608 K N 2.116 122.451 120.400 -0.109 0.000 2.160 608 K HA -0.166 4.154 4.320 0.000 0.000 0.206 608 K C 1.533 178.074 176.600 -0.099 0.000 1.047 608 K CA 1.163 57.386 56.287 -0.106 0.000 0.930 608 K CB 0.118 32.559 32.500 -0.099 0.000 0.720 608 K HN 0.419 nan 8.250 nan 0.000 0.450 609 K N 0.610 120.954 120.400 -0.094 0.000 2.458 609 K HA 0.117 4.438 4.320 0.000 0.000 0.194 609 K C 0.124 176.667 176.600 -0.094 0.000 1.024 609 K CA 0.295 56.531 56.287 -0.085 0.000 1.108 609 K CB 0.131 32.587 32.500 -0.073 0.000 0.846 609 K HN 0.079 nan 8.250 nan 0.000 0.518 610 I N 2.251 122.752 120.570 -0.115 0.000 2.389 610 I HA 0.217 4.387 4.170 0.000 0.000 0.288 610 I C 0.071 176.111 176.117 -0.129 0.000 0.999 610 I CA -1.137 60.085 61.300 -0.131 0.000 1.129 610 I CB 1.607 39.501 38.000 -0.177 0.000 1.288 610 I HN 0.013 nan 8.210 nan 0.000 0.444 611 R N 4.447 124.889 120.500 -0.098 0.000 2.483 611 R HA 0.051 4.391 4.340 0.000 0.000 0.329 611 R C 1.018 177.277 176.300 -0.068 0.000 0.961 611 R CA 1.010 57.064 56.100 -0.076 0.000 1.041 611 R CB -0.042 30.225 30.300 -0.055 0.000 0.930 611 R HN 1.063 nan 8.270 nan 0.000 0.413 612 G N 2.247 111.002 108.800 -0.074 0.000 2.155 612 G HA2 -0.373 3.587 3.960 0.000 0.000 0.257 612 G HA3 -0.373 3.587 3.960 0.000 0.000 0.257 612 G C 0.811 175.673 174.900 -0.063 0.000 0.983 612 G CA 0.841 45.905 45.100 -0.059 0.000 0.676 612 G HN 0.684 nan 8.290 nan 0.000 0.528 613 S N -0.657 114.946 115.700 -0.162 0.000 2.537 613 S HA 0.292 4.763 4.470 0.000 0.000 0.240 613 S C 2.405 176.948 174.600 -0.094 0.000 0.981 613 S CA 1.251 59.267 58.200 -0.307 0.000 0.948 613 S CB -0.118 62.753 63.200 -0.549 0.000 0.759 613 S HN 1.714 nan 8.310 nan 0.000 0.531 614 A N 1.511 124.287 122.820 -0.073 0.000 2.015 614 A HA 0.228 4.548 4.320 0.000 0.000 0.219 614 A C 0.996 178.551 177.584 -0.048 0.000 1.163 614 A CA 0.473 52.480 52.037 -0.049 0.000 0.646 614 A CB -0.418 18.551 19.000 -0.052 0.000 0.806 614 A HN 0.547 nan 8.150 nan 0.000 0.448 615 I N 0.165 120.686 120.570 -0.083 0.000 2.363 615 I HA 0.386 4.556 4.170 0.000 0.000 0.292 615 I C 1.406 177.375 176.117 -0.246 0.000 1.075 615 I CA 1.244 62.377 61.300 -0.277 0.000 1.333 615 I CB -0.412 37.339 38.000 -0.414 0.000 1.415 615 I HN 0.448 nan 8.210 nan 0.000 0.502 616 G N 5.193 113.841 108.800 -0.253 0.000 2.253 616 G HA2 -0.131 3.829 3.960 0.000 0.000 0.209 616 G HA3 -0.131 3.829 3.960 0.000 0.000 0.209 616 G C 0.435 175.324 174.900 -0.018 0.000 0.997 616 G CA -0.097 44.920 45.100 -0.137 0.000 0.640 616 G HN 0.872 nan 8.290 nan 0.000 0.496 617 A N 0.354 123.180 122.820 0.010 0.000 2.362 617 A HA 0.822 5.142 4.320 0.000 0.000 0.276 617 A C 0.345 177.866 177.584 -0.105 0.000 1.153 617 A CA 1.221 53.260 52.037 0.005 0.000 0.813 617 A CB 0.971 19.983 19.000 0.019 0.000 1.081 617 A HN 1.392 nan 8.150 nan 0.000 0.507 618 T N 1.411 115.855 114.554 -0.183 0.000 2.762 618 T HA 0.407 4.757 4.350 0.000 0.000 0.301 618 T C 0.762 175.305 174.700 -0.263 0.000 1.299 618 T CA -0.593 61.315 62.100 -0.319 0.000 1.005 618 T CB 0.818 69.315 68.868 -0.618 0.000 1.377 618 T HN 0.365 nan 8.240 nan 0.000 0.504 619 M N 0.926 120.226 119.600 -0.500 0.000 2.349 619 M HA 0.294 4.774 4.480 0.000 0.000 0.266 619 M C 1.204 177.246 176.300 -0.430 0.000 1.076 619 M CA 1.048 55.955 55.300 -0.654 0.000 1.126 619 M CB -1.049 30.753 32.600 -1.329 0.000 1.392 619 M HN 0.820 nan 8.290 nan 0.000 0.440 620 G N -0.967 107.536 108.800 -0.495 0.000 2.466 620 G HA2 0.493 4.453 3.960 0.000 0.000 0.291 620 G HA3 0.493 4.453 3.960 0.000 0.000 0.291 620 G C -1.900 172.743 174.900 -0.428 0.000 1.460 620 G CA -0.833 44.124 45.100 -0.238 0.000 0.791 620 G HN 0.048 nan 8.290 nan 0.000 0.505 621 F N -0.100 119.807 119.950 -0.071 0.000 2.522 621 F HA 0.606 5.133 4.527 0.000 0.000 0.324 621 F C 0.819 176.440 175.800 -0.298 0.000 1.077 621 F CA -0.785 57.051 58.000 -0.274 0.000 0.944 621 F CB 2.036 40.717 39.000 -0.532 0.000 1.175 621 F HN 0.570 nan 8.300 nan 0.000 0.468 622 C N 3.717 122.989 119.300 -0.046 0.000 2.452 622 C HA 0.623 5.083 4.460 0.000 0.000 0.379 622 C C -0.784 174.137 174.990 -0.115 0.000 1.275 622 C CA -0.647 58.372 59.018 0.001 0.000 2.056 622 C CB -1.072 26.705 27.740 0.062 0.000 2.506 622 C HN 0.692 nan 8.230 nan 0.000 0.560 623 Y N 3.379 123.738 120.300 0.099 0.000 2.429 623 Y HA 0.667 5.217 4.550 0.000 0.000 0.342 623 Y C 0.438 176.335 175.900 -0.005 0.000 1.004 623 Y CA -0.314 57.799 58.100 0.023 0.000 1.075 623 Y CB 1.882 40.259 38.460 -0.138 0.000 1.214 623 Y HN 0.966 nan 8.280 nan 0.000 0.455 624 A N 1.590 124.497 122.820 0.145 0.000 2.449 624 A HA 0.914 5.234 4.320 0.000 0.000 0.302 624 A C -1.508 176.106 177.584 0.050 0.000 1.048 624 A CA -0.599 51.490 52.037 0.086 0.000 0.708 624 A CB 1.041 20.094 19.000 0.087 0.000 1.274 624 A HN 0.842 nan 8.150 nan 0.000 0.410 625 A N 1.894 124.732 122.820 0.030 0.000 2.355 625 A HA 0.785 5.105 4.320 0.000 0.000 0.317 625 A C -0.576 177.036 177.584 0.048 0.000 1.094 625 A CA -0.494 51.547 52.037 0.006 0.000 0.764 625 A CB 0.970 19.942 19.000 -0.046 0.000 1.230 625 A HN 1.207 nan 8.150 nan 0.000 0.448 626 Q N 0.893 120.729 119.800 0.060 0.000 2.345 626 Q HA 0.724 5.064 4.340 0.000 0.000 0.275 626 Q C -1.931 174.144 176.000 0.125 0.000 1.063 626 Q CA -0.875 55.001 55.803 0.122 0.000 0.819 626 Q CB 2.078 30.910 28.738 0.156 0.000 1.356 626 Q HN 0.377 nan 8.270 nan 0.000 0.418 627 V N 2.140 122.196 119.914 0.236 0.000 2.459 627 V HA 0.495 4.616 4.120 0.000 0.000 0.295 627 V C -0.559 175.789 176.094 0.425 0.000 1.029 627 V CA -0.641 61.847 62.300 0.314 0.000 0.874 627 V CB 1.814 33.849 31.823 0.353 0.000 0.985 627 V HN 0.688 nan 8.190 nan 0.000 0.438 628 V N 4.221 124.312 119.914 0.295 0.000 2.495 628 V HA 0.470 4.590 4.120 0.000 0.000 0.298 628 V C -0.169 176.089 176.094 0.273 0.000 1.031 628 V CA -0.639 61.777 62.300 0.192 0.000 0.871 628 V CB 1.822 33.555 31.823 -0.150 0.000 0.988 628 V HN 0.955 nan 8.190 nan 0.000 0.432 629 E N 3.272 123.659 120.200 0.312 0.000 2.145 629 E HA 0.741 5.091 4.350 0.000 0.000 0.270 629 E C -0.583 176.163 176.600 0.243 0.000 0.906 629 E CA -0.334 56.257 56.400 0.319 0.000 0.761 629 E CB 1.523 31.496 29.700 0.455 0.000 1.116 629 E HN 0.900 nan 8.360 nan 0.000 0.408 630 A N 3.059 126.000 122.820 0.201 0.000 2.532 630 A HA 0.811 5.131 4.320 0.000 0.000 0.290 630 A C -1.034 176.668 177.584 0.197 0.000 1.143 630 A CA -0.548 51.576 52.037 0.146 0.000 0.728 630 A CB 1.850 20.875 19.000 0.041 0.000 1.317 630 A HN 0.651 nan 8.150 nan 0.000 0.414 631 S N -1.046 114.742 115.700 0.147 0.000 2.588 631 S HA 0.790 5.260 4.470 0.000 0.000 0.275 631 S C -1.237 173.404 174.600 0.069 0.000 1.130 631 S CA -0.643 57.652 58.200 0.157 0.000 0.855 631 S CB 1.373 64.758 63.200 0.308 0.000 1.116 631 S HN 1.219 nan 8.310 nan 0.000 0.472 632 V N 1.659 121.600 119.914 0.045 0.000 2.588 632 V HA 0.507 4.628 4.120 0.000 0.000 0.304 632 V C -0.981 175.123 176.094 0.017 0.000 1.042 632 V CA -0.654 61.656 62.300 0.017 0.000 0.877 632 V CB 1.826 33.647 31.823 -0.003 0.000 0.996 632 V HN 1.030 nan 8.190 nan 0.000 0.425 633 D N 3.051 123.459 120.400 0.013 0.000 2.347 633 D HA 0.216 4.857 4.640 0.000 0.000 0.235 633 D C 0.946 177.246 176.300 -0.000 0.000 1.149 633 D CA -0.145 53.861 54.000 0.011 0.000 0.850 633 D CB 1.563 42.371 40.800 0.013 0.000 1.061 633 D HN 0.658 nan 8.370 nan 0.000 0.487 634 E N 3.004 123.201 120.200 -0.004 0.000 2.274 634 E HA -0.074 4.276 4.350 0.000 0.000 0.194 634 E C 1.751 178.346 176.600 -0.008 0.000 0.996 634 E CA 0.409 56.803 56.400 -0.010 0.000 0.840 634 E CB 0.584 30.276 29.700 -0.013 0.000 0.772 634 E HN 0.641 nan 8.360 nan 0.000 0.491 635 I N 1.169 121.737 120.570 -0.005 0.000 2.163 635 I HA -0.231 3.939 4.170 0.000 0.000 0.240 635 I C 2.790 178.904 176.117 -0.005 0.000 1.081 635 I CA 1.746 63.043 61.300 -0.004 0.000 1.353 635 I CB -0.346 37.653 38.000 -0.001 0.000 1.054 635 I HN 0.190 nan 8.210 nan 0.000 0.407 636 T N -2.727 111.825 114.554 -0.003 0.000 3.051 636 T HA 0.254 4.604 4.350 0.000 0.000 0.255 636 T C 1.609 176.305 174.700 -0.008 0.000 1.085 636 T CA 0.620 62.718 62.100 -0.004 0.000 1.109 636 T CB 0.647 69.514 68.868 -0.002 0.000 0.921 636 T HN 0.532 nan 8.240 nan 0.000 0.488 637 G N 1.417 110.211 108.800 -0.009 0.000 2.176 637 G HA2 -0.282 3.678 3.960 0.000 0.000 0.253 637 G HA3 -0.282 3.678 3.960 0.000 0.000 0.253 637 G C 0.022 174.915 174.900 -0.013 0.000 0.979 637 G CA 0.255 45.347 45.100 -0.013 0.000 0.641 637 G HN 0.851 nan 8.290 nan 0.000 0.530 638 K N 0.957 121.352 120.400 -0.008 0.000 2.379 638 K HA 0.479 4.799 4.320 0.000 0.000 0.284 638 K C 0.510 177.106 176.600 -0.007 0.000 1.044 638 K CA -0.327 55.955 56.287 -0.008 0.000 0.974 638 K CB 0.647 33.144 32.500 -0.004 0.000 0.962 638 K HN 0.062 nan 8.250 nan 0.000 0.474 639 V N 4.137 124.046 119.914 -0.009 0.000 2.465 639 V HA 0.213 4.333 4.120 0.000 0.000 0.279 639 V C -0.095 175.983 176.094 -0.027 0.000 1.045 639 V CA -0.446 61.848 62.300 -0.009 0.000 0.938 639 V CB 1.593 33.419 31.823 0.005 0.000 0.986 639 V HN 0.837 nan 8.190 nan 0.000 0.467 640 T N 4.212 118.720 114.554 -0.077 0.000 2.809 640 T HA 0.613 4.963 4.350 0.000 0.000 0.284 640 T C -0.030 174.481 174.700 -0.314 0.000 0.992 640 T CA -0.260 61.727 62.100 -0.187 0.000 0.957 640 T CB 1.454 70.167 68.868 -0.257 0.000 0.942 640 T HN 0.891 nan 8.240 nan 0.000 0.439 641 A N 2.951 125.677 122.820 -0.157 0.000 2.276 641 A HA 0.449 4.769 4.320 0.000 0.000 0.300 641 A C 0.812 178.303 177.584 -0.155 0.000 1.235 641 A CA -0.368 51.642 52.037 -0.046 0.000 0.867 641 A CB 0.149 19.305 19.000 0.260 0.000 1.137 641 A HN 0.978 nan 8.150 nan 0.000 0.527 642 H N 1.658 120.777 119.070 0.081 0.000 2.388 642 H HA 0.195 4.751 4.556 0.000 0.000 0.304 642 H C 0.548 175.860 175.328 -0.026 0.000 1.049 642 H CA 1.271 57.341 56.048 0.038 0.000 1.371 642 H CB 0.433 30.221 29.762 0.044 0.000 1.436 642 H HN 0.700 nan 8.280 nan 0.000 0.544 643 K N 0.126 120.544 120.400 0.031 0.000 2.575 643 K HA 0.455 4.775 4.320 0.000 0.000 0.279 643 K C -1.906 174.514 176.600 -0.299 0.000 0.969 643 K CA -0.504 55.635 56.287 -0.246 0.000 0.868 643 K CB 2.591 34.760 32.500 -0.552 0.000 1.457 643 K HN -0.163 nan 8.250 nan 0.000 0.426 644 V N 2.123 121.812 119.914 -0.375 0.000 2.638 644 V HA 0.538 4.658 4.120 0.000 0.000 0.306 644 V C -1.157 174.775 176.094 -0.269 0.000 1.052 644 V CA -0.744 61.483 62.300 -0.123 0.000 0.885 644 V CB 1.722 33.628 31.823 0.139 0.000 0.999 644 V HN 0.650 nan 8.190 nan 0.000 0.424 645 W N 3.619 124.993 121.300 0.122 0.000 2.475 645 W HA 0.739 5.399 4.660 0.000 0.000 0.317 645 W C -0.793 175.775 176.519 0.082 0.000 1.046 645 W CA -0.660 56.741 57.345 0.094 0.000 1.215 645 W CB 2.040 31.552 29.460 0.087 0.000 1.335 645 W HN 0.421 nan 8.180 nan 0.000 0.471 646 V N 3.468 123.521 119.914 0.231 0.000 2.623 646 V HA 0.804 4.924 4.120 0.000 0.000 0.304 646 V C -0.976 175.193 176.094 0.125 0.000 1.054 646 V CA -0.516 61.882 62.300 0.164 0.000 0.882 646 V CB 1.450 33.355 31.823 0.137 0.000 1.002 646 V HN 0.538 nan 8.190 nan 0.000 0.424 647 A N 6.425 129.303 122.820 0.096 0.000 2.303 647 A HA 0.853 5.173 4.320 0.000 0.000 0.320 647 A C -0.615 177.003 177.584 0.057 0.000 1.192 647 A CA -0.317 51.760 52.037 0.067 0.000 0.821 647 A CB 1.511 20.536 19.000 0.042 0.000 1.188 647 A HN 1.822 nan 8.150 nan 0.000 0.492 648 V N 0.486 120.435 119.914 0.060 0.000 2.487 648 V HA 0.577 4.697 4.120 0.000 0.000 0.298 648 V C -0.666 175.469 176.094 0.068 0.000 1.028 648 V CA -0.839 61.502 62.300 0.068 0.000 0.860 648 V CB 1.635 33.500 31.823 0.071 0.000 0.991 648 V HN 0.785 nan 8.190 nan 0.000 0.427 649 D N 3.941 124.396 120.400 0.091 0.000 2.365 649 D HA 0.321 4.961 4.640 0.000 0.000 0.237 649 D C 0.716 177.088 176.300 0.121 0.000 1.190 649 D CA 0.012 54.075 54.000 0.104 0.000 0.867 649 D CB 1.557 42.446 40.800 0.149 0.000 1.050 649 D HN 0.726 nan 8.370 nan 0.000 0.491 650 V N 1.829 121.799 119.914 0.093 0.000 3.214 650 V HA 0.517 4.637 4.120 0.000 0.000 0.330 650 V C 1.441 177.589 176.094 0.091 0.000 1.403 650 V CA 0.419 62.772 62.300 0.088 0.000 1.143 650 V CB -0.072 31.790 31.823 0.065 0.000 1.098 650 V HN 0.681 nan 8.190 nan 0.000 0.463 651 G N 1.333 110.194 108.800 0.102 0.000 3.548 651 G HA2 -0.362 3.598 3.960 0.000 0.000 0.224 651 G HA3 -0.362 3.598 3.960 0.000 0.000 0.224 651 G C 0.268 175.209 174.900 0.069 0.000 1.351 651 G CA 0.832 45.992 45.100 0.099 0.000 0.905 651 G HN 1.196 nan 8.290 nan 0.000 0.561 652 K N -0.068 120.365 120.400 0.056 0.000 2.592 652 K HA 0.676 4.997 4.320 0.000 0.000 0.265 652 K C -0.390 176.227 176.600 0.029 0.000 1.006 652 K CA 0.653 56.965 56.287 0.042 0.000 0.907 652 K CB 0.898 33.429 32.500 0.052 0.000 1.309 652 K HN 1.392 nan 8.250 nan 0.000 0.452 653 A N 5.856 128.687 122.820 0.019 0.000 2.475 653 A HA 0.282 4.602 4.320 0.000 0.000 0.293 653 A C 0.832 178.408 177.584 -0.013 0.000 1.252 653 A CA -0.281 51.761 52.037 0.009 0.000 0.920 653 A CB -0.491 18.514 19.000 0.008 0.000 1.125 653 A HN 0.844 nan 8.150 nan 0.000 0.528 654 L N 1.432 122.646 121.223 -0.014 0.000 2.093 654 L HA -0.059 4.281 4.340 0.000 0.000 0.208 654 L C 1.023 177.862 176.870 -0.051 0.000 1.085 654 L CA 0.993 55.808 54.840 -0.042 0.000 0.755 654 L CB -0.192 41.851 42.059 -0.027 0.000 0.904 654 L HN 0.769 nan 8.230 nan 0.000 0.435 655 N N -0.922 117.760 118.700 -0.031 0.000 2.648 655 N HA 0.196 4.936 4.740 0.000 0.000 0.261 655 N C -2.194 173.307 175.510 -0.015 0.000 1.138 655 N CA -1.911 51.121 53.050 -0.029 0.000 0.804 655 N CB 1.495 39.966 38.487 -0.027 0.000 1.237 655 N HN -0.271 nan 8.380 nan 0.000 0.532 656 P HA -0.149 nan 4.420 nan 0.000 0.217 656 P C 1.547 178.847 177.300 0.000 0.000 1.148 656 P CA 0.569 63.667 63.100 -0.003 0.000 0.828 656 P CB 0.429 32.126 31.700 -0.006 0.000 0.783 657 L N -0.297 120.923 121.223 -0.005 0.000 2.017 657 L HA -0.099 4.241 4.340 0.000 0.000 0.208 657 L C 2.200 179.071 176.870 0.001 0.000 1.073 657 L CA 2.205 57.043 54.840 -0.003 0.000 0.745 657 L CB -1.543 40.512 42.059 -0.008 0.000 0.894 657 L HN -0.109 nan 8.230 nan 0.000 0.432 658 A N -1.231 121.589 122.820 0.000 0.000 1.898 658 A HA -0.103 4.218 4.320 0.000 0.000 0.216 658 A C 2.263 179.855 177.584 0.014 0.000 1.181 658 A CA 1.729 53.769 52.037 0.006 0.000 0.620 658 A CB -1.074 17.927 19.000 0.002 0.000 0.819 658 A HN 0.302 nan 8.150 nan 0.000 0.442 659 V N 0.229 120.151 119.914 0.014 0.000 2.332 659 V HA -0.300 3.820 4.120 0.000 0.000 0.248 659 V C 2.420 178.531 176.094 0.027 0.000 1.055 659 V CA 2.419 64.733 62.300 0.023 0.000 1.038 659 V CB -0.836 31.000 31.823 0.023 0.000 0.651 659 V HN 0.655 nan 8.190 nan 0.000 0.450 660 E N 0.123 120.336 120.200 0.022 0.000 2.077 660 E HA -0.146 4.204 4.350 0.000 0.000 0.193 660 E C 2.332 178.944 176.600 0.020 0.000 0.989 660 E CA 1.266 57.679 56.400 0.022 0.000 0.800 660 E CB -0.524 29.185 29.700 0.016 0.000 0.746 660 E HN 0.643 nan 8.360 nan 0.000 0.452 661 G N 0.779 109.588 108.800 0.015 0.000 2.402 661 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 661 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 661 G C 1.523 176.440 174.900 0.029 0.000 1.162 661 G CA 0.314 45.421 45.100 0.012 0.000 0.777 661 G HN 0.072 nan 8.290 nan 0.000 0.539 662 Q N 0.224 120.047 119.800 0.038 0.000 2.084 662 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 662 Q C 2.820 178.855 176.000 0.059 0.000 0.978 662 Q CA 1.712 57.548 55.803 0.055 0.000 0.844 662 Q CB -0.834 27.932 28.738 0.046 0.000 0.898 662 Q HN 0.424 nan 8.270 nan 0.000 0.426 663 T N 1.580 116.164 114.554 0.051 0.000 2.777 663 T HA -0.151 4.199 4.350 0.000 0.000 0.266 663 T C 1.908 176.645 174.700 0.062 0.000 1.040 663 T CA 1.280 63.414 62.100 0.056 0.000 1.141 663 T CB -0.080 68.821 68.868 0.055 0.000 0.868 663 T HN 0.338 nan 8.240 nan 0.000 0.444 664 Q N 0.226 120.057 119.800 0.050 0.000 2.079 664 Q HA 0.001 4.341 4.340 0.000 0.000 0.200 664 Q C 2.750 178.797 176.000 0.080 0.000 0.974 664 Q CA 1.299 57.131 55.803 0.048 0.000 0.840 664 Q CB -0.404 28.339 28.738 0.008 0.000 0.898 664 Q HN 0.582 nan 8.270 nan 0.000 0.430 665 G N 0.388 109.232 108.800 0.073 0.000 2.402 665 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 665 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 665 G C 1.331 176.331 174.900 0.166 0.000 1.162 665 G CA 0.750 45.925 45.100 0.126 0.000 0.777 665 G HN 0.463 nan 8.290 nan 0.000 0.539 666 G N 0.521 109.382 108.800 0.102 0.000 2.433 666 G HA2 -0.156 3.805 3.960 0.000 0.000 0.216 666 G HA3 -0.156 3.805 3.960 0.000 0.000 0.216 666 G C 1.799 176.715 174.900 0.027 0.000 1.186 666 G CA 1.247 46.379 45.100 0.053 0.000 0.779 666 G HN 0.295 nan 8.290 nan 0.000 0.543 667 V N -0.236 119.710 119.914 0.053 0.000 2.287 667 V HA -0.194 3.927 4.120 0.000 0.000 0.248 667 V C 2.275 178.302 176.094 -0.111 0.000 1.053 667 V CA 2.040 64.356 62.300 0.028 0.000 1.027 667 V CB -0.634 31.249 31.823 0.099 0.000 0.646 667 V HN 0.662 nan 8.190 nan 0.000 0.447 668 W N 0.023 121.197 121.300 -0.211 0.000 2.363 668 W HA -0.231 4.429 4.660 0.000 0.000 0.296 668 W C 2.458 178.810 176.519 -0.278 0.000 1.212 668 W CA 2.131 59.311 57.345 -0.274 0.000 1.260 668 W CB -0.118 29.237 29.460 -0.176 0.000 1.131 668 W HN 0.228 nan 8.180 nan 0.000 0.530 669 M N 0.302 119.776 119.600 -0.209 0.000 2.229 669 M HA 0.007 4.487 4.480 0.000 0.000 0.264 669 M C 2.067 178.097 176.300 -0.449 0.000 1.063 669 M CA 2.271 57.291 55.300 -0.467 0.000 1.114 669 M CB -0.672 31.792 32.600 -0.227 0.000 1.387 669 M HN 0.101 nan 8.290 nan 0.000 0.420 670 G N 0.676 109.273 108.800 -0.340 0.000 2.402 670 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 670 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 670 G C 1.492 176.148 174.900 -0.407 0.000 1.162 670 G CA 0.784 45.727 45.100 -0.261 0.000 0.777 670 G HN 0.485 nan 8.290 nan 0.000 0.539 671 M N 1.728 120.787 119.600 -0.902 0.000 2.159 671 M HA -0.009 4.471 4.480 0.000 0.000 0.263 671 M C 2.474 178.440 176.300 -0.557 0.000 1.063 671 M CA 2.004 56.623 55.300 -1.136 0.000 1.110 671 M CB -0.941 30.806 32.600 -1.421 0.000 1.374 671 M HN 0.209 nan 8.290 nan 0.000 0.411 672 G N 0.040 108.421 108.800 -0.697 0.000 2.402 672 G HA2 -0.285 3.675 3.960 0.000 0.000 0.216 672 G HA3 -0.285 3.675 3.960 0.000 0.000 0.216 672 G C 1.340 176.066 174.900 -0.290 0.000 1.162 672 G CA 0.873 45.640 45.100 -0.554 0.000 0.777 672 G HN 0.691 nan 8.290 nan 0.000 0.539 673 Q N 0.112 119.775 119.800 -0.229 0.000 2.167 673 Q HA 0.085 4.425 4.340 0.000 0.000 0.202 673 Q C 2.681 178.719 176.000 0.063 0.000 0.970 673 Q CA 1.314 57.074 55.803 -0.072 0.000 0.855 673 Q CB -0.246 28.455 28.738 -0.061 0.000 0.911 673 Q HN 0.403 nan 8.270 nan 0.000 0.438 674 A N 0.294 123.174 122.820 0.101 0.000 1.929 674 A HA -0.041 4.279 4.320 0.000 0.000 0.216 674 A C 1.796 179.543 177.584 0.272 0.000 1.176 674 A CA 0.996 53.242 52.037 0.350 0.000 0.628 674 A CB -0.149 19.158 19.000 0.513 0.000 0.816 674 A HN 0.432 nan 8.150 nan 0.000 0.444 675 L N -1.467 119.822 121.223 0.110 0.000 2.577 675 L HA 0.105 4.445 4.340 0.000 0.000 0.225 675 L C 1.978 178.837 176.870 -0.019 0.000 1.053 675 L CA 1.084 55.957 54.840 0.054 0.000 0.866 675 L CB 0.320 42.407 42.059 0.047 0.000 1.132 675 L HN 0.492 nan 8.230 nan 0.000 0.486 676 S N -2.771 112.880 115.700 -0.082 0.000 2.684 676 S HA 0.199 4.669 4.470 0.000 0.000 0.268 676 S C 0.296 174.767 174.600 -0.215 0.000 1.075 676 S CA -0.561 57.565 58.200 -0.123 0.000 1.184 676 S CB 0.377 63.504 63.200 -0.121 0.000 1.129 676 S HN 0.156 nan 8.310 nan 0.000 0.630 677 E N 2.314 122.361 120.200 -0.254 0.000 2.249 677 E HA 0.538 4.888 4.350 0.000 0.000 0.280 677 E C -0.458 175.982 176.600 -0.267 0.000 1.016 677 E CA -0.286 55.845 56.400 -0.449 0.000 0.830 677 E CB 0.844 30.310 29.700 -0.391 0.000 1.081 677 E HN 0.657 nan 8.360 nan 0.000 0.395 678 E N 0.761 120.752 120.200 -0.349 0.000 2.431 678 E HA 0.187 4.538 4.350 0.000 0.000 0.287 678 E C -1.182 175.382 176.600 -0.061 0.000 1.032 678 E CA -0.895 55.467 56.400 -0.063 0.000 0.839 678 E CB 0.926 30.619 29.700 -0.011 0.000 1.218 678 E HN 0.422 nan 8.360 nan 0.000 0.424 679 T N -0.636 113.876 114.554 -0.070 0.000 2.899 679 T HA 0.638 4.988 4.350 0.000 0.000 0.284 679 T C -0.036 174.511 174.700 -0.255 0.000 1.004 679 T CA -0.614 61.151 62.100 -0.558 0.000 1.043 679 T CB 1.326 69.756 68.868 -0.730 0.000 1.013 679 T HN 0.354 nan 8.240 nan 0.000 0.518 680 V N 2.179 121.952 119.914 -0.234 0.000 2.612 680 V HA 0.401 4.521 4.120 0.000 0.000 0.301 680 V C -1.504 174.450 176.094 -0.232 0.000 1.059 680 V CA -1.004 61.238 62.300 -0.096 0.000 0.886 680 V CB 1.117 32.925 31.823 -0.025 0.000 1.007 680 V HN 0.938 nan 8.190 nan 0.000 0.426 681 Y N 1.929 122.280 120.300 0.085 0.000 2.446 681 Y HA 0.694 5.244 4.550 0.000 0.000 0.338 681 Y C -0.040 175.876 175.900 0.025 0.000 1.055 681 Y CA -0.747 57.390 58.100 0.061 0.000 1.101 681 Y CB 1.959 40.449 38.460 0.050 0.000 1.221 681 Y HN 0.647 nan 8.280 nan 0.000 0.460 682 D N 2.345 122.842 120.400 0.162 0.000 2.421 682 D HA 0.122 4.762 4.640 0.000 0.000 0.254 682 D C -0.388 175.961 176.300 0.081 0.000 1.238 682 D CA -0.365 53.687 54.000 0.086 0.000 0.919 682 D CB 0.125 40.950 40.800 0.041 0.000 1.152 682 D HN 0.706 nan 8.370 nan 0.000 0.552 683 N N 3.425 122.164 118.700 0.066 0.000 2.727 683 N HA -0.288 4.452 4.740 0.000 0.000 0.249 683 N C 0.895 176.434 175.510 0.048 0.000 1.048 683 N CA 0.968 54.040 53.050 0.037 0.000 0.714 683 N CB -0.891 37.607 38.487 0.018 0.000 0.959 683 N HN 0.854 nan 8.380 nan 0.000 0.544 684 G N -0.482 108.370 108.800 0.086 0.000 2.268 684 G HA2 -0.324 3.636 3.960 0.000 0.000 0.240 684 G HA3 -0.324 3.636 3.960 0.000 0.000 0.240 684 G C 0.103 175.117 174.900 0.189 0.000 1.010 684 G CA 0.426 45.580 45.100 0.090 0.000 0.618 684 G HN 0.525 nan 8.290 nan 0.000 0.516 685 R N 0.552 121.149 120.500 0.162 0.000 2.340 685 R HA 0.528 4.869 4.340 0.000 0.000 0.300 685 R C 0.721 177.120 176.300 0.165 0.000 1.069 685 R CA -0.324 55.855 56.100 0.131 0.000 0.984 685 R CB 0.901 31.229 30.300 0.046 0.000 1.003 685 R HN 0.427 nan 8.270 nan 0.000 0.459 686 M N 3.403 123.056 119.600 0.089 0.000 2.200 686 M HA 0.049 4.529 4.480 0.000 0.000 0.355 686 M C 0.014 176.151 176.300 -0.272 0.000 1.283 686 M CA 0.087 55.259 55.300 -0.213 0.000 1.124 686 M CB 1.064 33.517 32.600 -0.245 0.000 1.625 686 M HN 0.461 nan 8.290 nan 0.000 0.463 687 V N 3.930 123.654 119.914 -0.317 0.000 3.379 687 V HA -0.035 4.085 4.120 0.000 0.000 0.249 687 V C 1.640 177.589 176.094 -0.242 0.000 1.184 687 V CA 0.608 62.791 62.300 -0.196 0.000 1.106 687 V CB -0.625 31.143 31.823 -0.092 0.000 0.826 687 V HN 0.952 nan 8.190 nan 0.000 0.465 688 H N 0.222 119.109 119.070 -0.306 0.000 2.538 688 H HA 0.241 4.797 4.556 0.000 0.000 0.286 688 H C 1.432 176.410 175.328 -0.583 0.000 1.035 688 H CA 0.391 56.244 56.048 -0.325 0.000 1.169 688 H CB -0.237 29.375 29.762 -0.250 0.000 1.417 688 H HN 0.326 nan 8.280 nan 0.000 0.567 689 G N 1.792 110.086 108.800 -0.844 0.000 3.324 689 G HA2 0.023 3.983 3.960 0.000 0.000 0.232 689 G HA3 0.023 3.983 3.960 0.000 0.000 0.232 689 G C -0.282 174.416 174.900 -0.337 0.000 1.213 689 G CA -0.085 44.571 45.100 -0.741 0.000 1.637 689 G HN 0.708 nan 8.290 nan 0.000 0.572 690 N N -1.866 116.640 118.700 -0.323 0.000 3.046 690 N HA 0.250 4.990 4.740 0.000 0.000 0.243 690 N C 0.043 175.669 175.510 0.194 0.000 1.452 690 N CA -1.031 52.063 53.050 0.073 0.000 0.882 690 N CB 0.564 39.068 38.487 0.029 0.000 1.425 690 N HN -0.123 nan 8.380 nan 0.000 0.517 691 I N 0.118 120.851 120.570 0.272 0.000 3.812 691 I HA 0.162 4.332 4.170 0.000 0.000 0.319 691 I C 0.587 176.810 176.117 0.177 0.000 1.353 691 I CA -0.008 61.469 61.300 0.296 0.000 1.170 691 I CB -0.322 37.834 38.000 0.260 0.000 1.057 691 I HN 0.457 nan 8.210 nan 0.000 0.411 692 L N 0.770 122.062 121.223 0.115 0.000 2.262 692 L HA 0.200 4.540 4.340 0.000 0.000 0.197 692 L C 1.565 178.463 176.870 0.046 0.000 1.073 692 L CA 1.843 56.723 54.840 0.067 0.000 0.800 692 L CB -0.169 41.914 42.059 0.041 0.000 0.987 692 L HN 0.003 nan 8.230 nan 0.000 0.470 693 D N -1.426 118.994 120.400 0.033 0.000 2.349 693 D HA -0.044 4.596 4.640 0.000 0.000 0.215 693 D C -0.333 175.981 176.300 0.022 0.000 1.016 693 D CA 0.477 54.481 54.000 0.007 0.000 0.870 693 D CB 0.086 40.876 40.800 -0.017 0.000 0.917 693 D HN 0.292 nan 8.370 nan 0.000 0.524 694 Y N 1.776 122.064 120.300 -0.020 0.000 2.491 694 Y HA 0.274 4.824 4.550 0.000 0.000 0.334 694 Y C -0.107 175.827 175.900 0.057 0.000 0.969 694 Y CA -0.950 57.156 58.100 0.011 0.000 1.241 694 Y CB 0.323 38.808 38.460 0.042 0.000 1.105 694 Y HN -0.341 nan 8.280 nan 0.000 0.503 695 R N 5.647 125.945 120.500 -0.337 0.000 2.893 695 R HA 0.215 4.556 4.340 0.000 0.000 0.243 695 R C -0.702 175.513 176.300 -0.140 0.000 1.481 695 R CA -0.382 55.619 56.100 -0.165 0.000 1.250 695 R CB -0.139 30.073 30.300 -0.145 0.000 1.213 695 R HN 0.380 nan 8.270 nan 0.000 0.609 696 V N 4.632 124.572 119.914 0.043 0.000 2.529 696 V HA 0.044 4.164 4.120 0.000 0.000 0.292 696 V C -1.648 174.501 176.094 0.093 0.000 1.028 696 V CA -1.339 61.015 62.300 0.090 0.000 1.074 696 V CB 0.572 32.542 31.823 0.246 0.000 0.958 696 V HN 0.456 nan 8.190 nan 0.000 0.481 697 P HA 0.128 nan 4.420 nan 0.000 0.266 697 P C 0.156 177.627 177.300 0.286 0.000 1.195 697 P CA 0.094 63.279 63.100 0.142 0.000 0.768 697 P CB 0.282 32.037 31.700 0.092 0.000 0.838 698 T N -0.258 114.397 114.554 0.168 0.000 2.824 698 T HA 0.238 4.588 4.350 0.000 0.000 0.277 698 T C 1.215 175.987 174.700 0.120 0.000 0.975 698 T CA -0.666 61.511 62.100 0.128 0.000 0.966 698 T CB 0.358 69.269 68.868 0.073 0.000 1.054 698 T HN 0.310 nan 8.240 nan 0.000 0.533 699 I N 0.796 121.397 120.570 0.050 0.000 2.567 699 I HA -0.094 4.076 4.170 0.000 0.000 0.257 699 I C 1.934 178.070 176.117 0.032 0.000 1.184 699 I CA 0.941 62.248 61.300 0.013 0.000 1.451 699 I CB -0.123 37.860 38.000 -0.027 0.000 1.089 699 I HN 0.573 nan 8.210 nan 0.000 0.441 700 V N 1.868 121.806 119.914 0.040 0.000 2.270 700 V HA -0.226 3.894 4.120 0.000 0.000 0.245 700 V C 2.453 178.574 176.094 0.045 0.000 1.043 700 V CA 2.193 64.515 62.300 0.037 0.000 1.014 700 V CB -0.840 31.003 31.823 0.032 0.000 0.645 700 V HN 0.593 nan 8.190 nan 0.000 0.447 701 E N 0.318 120.549 120.200 0.052 0.000 2.478 701 E HA 0.013 4.363 4.350 0.000 0.000 0.194 701 E C 0.808 177.445 176.600 0.061 0.000 1.045 701 E CA 0.135 56.561 56.400 0.042 0.000 0.868 701 E CB -0.007 29.709 29.700 0.028 0.000 0.885 701 E HN 0.484 nan 8.360 nan 0.000 0.505 702 S N 4.227 119.990 115.700 0.105 0.000 2.533 702 S HA 0.186 4.657 4.470 0.000 0.000 0.282 702 S C -1.952 172.707 174.600 0.098 0.000 1.304 702 S CA -0.855 57.441 58.200 0.160 0.000 1.063 702 S CB 0.747 64.099 63.200 0.253 0.000 0.881 702 S HN 0.287 nan 8.310 nan 0.000 0.493 703 P HA 0.150 nan 4.420 nan 0.000 0.272 703 P C -0.587 176.733 177.300 0.032 0.000 1.230 703 P CA -0.426 62.716 63.100 0.069 0.000 0.788 703 P CB 0.513 32.280 31.700 0.112 0.000 0.949 704 D N 0.528 120.920 120.400 -0.014 0.000 2.341 704 D HA 0.324 4.964 4.640 0.000 0.000 0.245 704 D C -0.545 175.696 176.300 -0.098 0.000 1.106 704 D CA -0.095 53.871 54.000 -0.056 0.000 0.905 704 D CB 0.128 40.879 40.800 -0.081 0.000 1.202 704 D HN 0.196 nan 8.370 nan 0.000 0.426 705 I N 2.227 122.747 120.570 -0.084 0.000 2.468 705 I HA 0.208 4.378 4.170 0.000 0.000 0.285 705 I C -0.240 175.831 176.117 -0.078 0.000 1.039 705 I CA -0.746 60.506 61.300 -0.079 0.000 1.074 705 I CB 1.912 39.911 38.000 -0.001 0.000 1.228 705 I HN 0.329 nan 8.210 nan 0.000 0.436 706 E N 6.141 126.270 120.200 -0.118 0.000 2.134 706 E HA 0.521 4.871 4.350 0.000 0.000 0.278 706 E C -1.438 175.192 176.600 0.050 0.000 0.959 706 E CA -0.605 55.777 56.400 -0.030 0.000 0.783 706 E CB 1.787 31.471 29.700 -0.027 0.000 1.095 706 E HN 0.355 nan 8.360 nan 0.000 0.399 707 V N 6.352 126.299 119.914 0.056 0.000 2.427 707 V HA 0.392 4.512 4.120 0.000 0.000 0.286 707 V C 0.061 176.201 176.094 0.077 0.000 1.034 707 V CA -0.580 61.761 62.300 0.069 0.000 0.893 707 V CB 1.363 33.216 31.823 0.050 0.000 0.982 707 V HN 0.635 nan 8.190 nan 0.000 0.452 708 I N 5.530 126.150 120.570 0.084 0.000 2.389 708 I HA 0.457 4.627 4.170 0.000 0.000 0.288 708 I C -0.408 175.742 176.117 0.056 0.000 0.999 708 I CA -0.347 60.997 61.300 0.073 0.000 1.129 708 I CB 1.750 39.800 38.000 0.083 0.000 1.288 708 I HN 0.425 nan 8.210 nan 0.000 0.444 709 I N 6.721 127.318 120.570 0.045 0.000 2.371 709 I HA 0.288 4.459 4.170 0.000 0.000 0.290 709 I C -0.302 175.835 176.117 0.033 0.000 1.028 709 I CA -0.566 60.757 61.300 0.039 0.000 1.345 709 I CB 1.398 39.417 38.000 0.032 0.000 1.407 709 I HN 0.209 nan 8.210 nan 0.000 0.501 710 V N 6.542 126.477 119.914 0.035 0.000 2.459 710 V HA 0.289 4.409 4.120 0.000 0.000 0.295 710 V C -0.191 175.926 176.094 0.038 0.000 1.029 710 V CA -0.608 61.708 62.300 0.027 0.000 0.874 710 V CB 1.790 33.621 31.823 0.014 0.000 0.985 710 V HN 0.693 nan 8.190 nan 0.000 0.438 711 E N 2.401 122.622 120.200 0.035 0.000 2.489 711 E HA 0.180 4.531 4.350 0.000 0.000 0.232 711 E C 0.510 177.141 176.600 0.051 0.000 0.990 711 E CA -0.119 56.309 56.400 0.046 0.000 0.768 711 E CB 1.212 30.934 29.700 0.037 0.000 1.270 711 E HN 0.776 nan 8.360 nan 0.000 0.423 712 S N 2.498 118.239 115.700 0.068 0.000 2.555 712 S HA -0.067 4.403 4.470 0.000 0.000 0.230 712 S C 1.002 175.654 174.600 0.087 0.000 0.978 712 S CA -0.200 58.047 58.200 0.078 0.000 0.934 712 S CB -0.203 63.060 63.200 0.105 0.000 0.766 712 S HN 0.537 nan 8.310 nan 0.000 0.533 713 M N 2.379 122.028 119.600 0.081 0.000 3.822 713 M HA -0.127 4.353 4.480 0.000 0.000 0.160 713 M C -0.390 175.962 176.300 0.088 0.000 1.492 713 M CA 0.390 55.734 55.300 0.074 0.000 1.027 713 M CB -2.090 30.546 32.600 0.060 0.000 1.327 713 M HN 0.563 nan 8.290 nan 0.000 0.389 714 D N 5.513 125.973 120.400 0.101 0.000 2.390 714 D HA 0.166 4.806 4.640 0.000 0.000 0.249 714 D C -1.173 175.174 176.300 0.079 0.000 1.144 714 D CA -1.039 53.038 54.000 0.128 0.000 0.880 714 D CB 1.287 42.200 40.800 0.189 0.000 1.182 714 D HN 0.304 nan 8.370 nan 0.000 0.451 715 P HA -0.102 nan 4.420 nan 0.000 0.222 715 P C 0.164 177.479 177.300 0.025 0.000 1.147 715 P CA 1.106 64.242 63.100 0.060 0.000 0.790 715 P CB 0.358 32.114 31.700 0.093 0.000 0.780 716 N N -1.020 117.708 118.700 0.046 0.000 2.220 716 N HA 0.140 4.881 4.740 0.000 0.000 0.195 716 N C 1.094 176.451 175.510 -0.255 0.000 1.123 716 N CA -0.068 52.988 53.050 0.010 0.000 0.874 716 N CB 0.144 38.694 38.487 0.105 0.000 0.995 716 N HN 0.070 nan 8.380 nan 0.000 0.498 717 G N 1.621 110.202 108.800 -0.366 0.000 2.539 717 G HA2 0.224 4.184 3.960 0.000 0.000 0.258 717 G HA3 0.224 4.184 3.960 0.000 0.000 0.258 717 G C -2.439 172.076 174.900 -0.641 0.000 1.202 717 G CA -1.015 43.518 45.100 -0.945 0.000 0.851 717 G HN -0.078 nan 8.290 nan 0.000 0.556 718 P HA 0.056 nan 4.420 nan 0.000 0.264 718 P C -0.319 176.858 177.300 -0.206 0.000 1.229 718 P CA 0.152 62.980 63.100 -0.453 0.000 0.780 718 P CB 0.017 31.512 31.700 -0.341 0.000 0.808 719 F N 3.056 122.900 119.950 -0.177 0.000 3.069 719 F HA -0.229 4.298 4.527 0.000 0.000 0.285 719 F C 1.557 177.298 175.800 -0.099 0.000 0.827 719 F CA 1.700 59.631 58.000 -0.115 0.000 1.108 719 F CB -2.466 36.477 39.000 -0.096 0.000 1.252 719 F HN 0.651 nan 8.300 nan 0.000 0.483 720 G N -1.526 107.247 108.800 -0.045 0.000 2.175 720 G HA2 0.073 4.033 3.960 0.000 0.000 0.244 720 G HA3 0.073 4.033 3.960 0.000 0.000 0.244 720 G C 0.397 175.294 174.900 -0.006 0.000 0.982 720 G CA 0.037 45.128 45.100 -0.015 0.000 0.641 720 G HN 1.558 nan 8.290 nan 0.000 0.527 721 A N -0.070 122.723 122.820 -0.046 0.000 2.407 721 A HA 0.698 5.018 4.320 0.000 0.000 0.248 721 A C 0.557 178.159 177.584 0.030 0.000 1.082 721 A CA 0.732 52.760 52.037 -0.014 0.000 0.785 721 A CB 0.518 19.502 19.000 -0.026 0.000 1.020 721 A HN 0.452 nan 8.150 nan 0.000 0.489 722 K N -0.022 120.449 120.400 0.118 0.000 2.378 722 K HA 0.388 4.709 4.320 0.000 0.000 0.244 722 K C -0.276 176.405 176.600 0.133 0.000 1.039 722 K CA -0.711 55.701 56.287 0.209 0.000 0.863 722 K CB 1.332 33.937 32.500 0.175 0.000 1.326 722 K HN 0.898 nan 8.250 nan 0.000 0.460 723 E N -0.223 120.046 120.200 0.114 0.000 2.435 723 E HA 0.189 4.540 4.350 0.000 0.000 0.256 723 E C -0.366 176.276 176.600 0.070 0.000 1.245 723 E CA -0.039 56.409 56.400 0.080 0.000 0.989 723 E CB 0.489 30.234 29.700 0.075 0.000 0.983 723 E HN 0.555 nan 8.360 nan 0.000 0.480 724 A N 0.547 123.401 122.820 0.056 0.000 2.515 724 A HA 0.253 4.573 4.320 0.000 0.000 0.253 724 A C 0.518 178.129 177.584 0.045 0.000 0.863 724 A CA 0.143 52.211 52.037 0.052 0.000 1.124 724 A CB -0.401 18.627 19.000 0.045 0.000 1.214 724 A HN 0.637 nan 8.150 nan 0.000 0.470 725 S N -1.794 113.928 115.700 0.038 0.000 2.651 725 S HA 0.208 4.678 4.470 0.000 0.000 0.259 725 S C 0.898 175.490 174.600 -0.012 0.000 1.073 725 S CA 0.514 58.730 58.200 0.027 0.000 1.090 725 S CB 0.026 63.243 63.200 0.029 0.000 1.042 725 S HN 0.323 nan 8.310 nan 0.000 0.581 726 E N 1.246 121.416 120.200 -0.050 0.000 2.332 726 E HA 0.229 4.579 4.350 0.000 0.000 0.202 726 E C 1.926 178.456 176.600 -0.117 0.000 0.877 726 E CA 0.405 56.687 56.400 -0.197 0.000 0.979 726 E CB -0.264 29.112 29.700 -0.540 0.000 0.969 726 E HN 0.523 nan 8.360 nan 0.000 0.495 727 G N 2.266 111.088 108.800 0.037 0.000 2.537 727 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 727 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 727 G C 1.573 176.511 174.900 0.063 0.000 1.111 727 G CA 1.046 46.200 45.100 0.092 0.000 0.748 727 G HN 0.176 nan 8.290 nan 0.000 0.564 728 M N -0.436 119.188 119.600 0.040 0.000 2.371 728 M HA 0.394 4.875 4.480 0.000 0.000 0.246 728 M C 1.792 178.121 176.300 0.048 0.000 1.103 728 M CA 0.277 55.612 55.300 0.057 0.000 1.010 728 M CB -0.648 31.993 32.600 0.070 0.000 1.457 728 M HN 0.155 nan 8.290 nan 0.000 0.486 729 L N 1.689 122.910 121.223 -0.003 0.000 2.005 729 L HA 0.012 4.353 4.340 0.000 0.000 0.207 729 L C 2.634 179.503 176.870 -0.003 0.000 1.072 729 L CA 1.715 56.541 54.840 -0.023 0.000 0.744 729 L CB -0.404 41.600 42.059 -0.093 0.000 0.895 729 L HN 0.360 nan 8.230 nan 0.000 0.433 730 A N -0.006 122.796 122.820 -0.029 0.000 1.908 730 A HA -0.188 4.132 4.320 0.000 0.000 0.218 730 A C 2.297 179.895 177.584 0.025 0.000 1.181 730 A CA 1.673 53.687 52.037 -0.037 0.000 0.627 730 A CB -1.652 17.311 19.000 -0.061 0.000 0.818 730 A HN 0.574 nan 8.150 nan 0.000 0.445 731 G N -1.533 107.307 108.800 0.067 0.000 2.485 731 G HA2 -0.289 3.671 3.960 0.000 0.000 0.221 731 G HA3 -0.289 3.671 3.960 0.000 0.000 0.221 731 G C 1.408 176.389 174.900 0.134 0.000 1.115 731 G CA 1.134 46.290 45.100 0.093 0.000 0.751 731 G HN 0.519 nan 8.290 nan 0.000 0.567 732 F N 0.550 120.517 119.950 0.028 0.000 2.171 732 F HA -0.016 4.511 4.527 0.000 0.000 0.300 732 F C 2.372 178.221 175.800 0.082 0.000 1.090 732 F CA 0.845 58.877 58.000 0.054 0.000 1.293 732 F CB -0.023 38.992 39.000 0.027 0.000 1.013 732 F HN 0.059 nan 8.300 nan 0.000 0.486 733 L N 1.133 122.504 121.223 0.246 0.000 1.970 733 L HA -0.192 4.149 4.340 0.000 0.000 0.212 733 L C -0.395 176.608 176.870 0.222 0.000 1.071 733 L CA 2.314 57.268 54.840 0.189 0.000 0.751 733 L CB -2.332 39.605 42.059 -0.203 0.000 0.889 733 L HN 0.091 nan 8.230 nan 0.000 0.432 734 P HA -0.162 nan 4.420 nan 0.000 0.217 734 P C 1.422 178.821 177.300 0.166 0.000 1.151 734 P CA 1.952 65.138 63.100 0.144 0.000 0.828 734 P CB 0.003 31.736 31.700 0.055 0.000 0.788 735 A N 0.426 123.284 122.820 0.063 0.000 1.883 735 A HA -0.180 4.140 4.320 0.000 0.000 0.217 735 A C 2.331 179.906 177.584 -0.014 0.000 1.186 735 A CA 1.702 53.753 52.037 0.025 0.000 0.624 735 A CB -1.732 17.238 19.000 -0.051 0.000 0.822 735 A HN 0.230 nan 8.150 nan 0.000 0.444 736 I N -1.571 118.898 120.570 -0.170 0.000 2.761 736 I HA -0.148 4.022 4.170 0.000 0.000 0.261 736 I C 2.214 178.378 176.117 0.078 0.000 1.198 736 I CA 1.467 62.687 61.300 -0.132 0.000 1.482 736 I CB -0.156 37.662 38.000 -0.303 0.000 1.100 736 I HN 0.628 nan 8.210 nan 0.000 0.445 737 H N 0.826 119.950 119.070 0.090 0.000 2.321 737 H HA -0.247 4.309 4.556 0.000 0.000 0.300 737 H C 2.189 177.592 175.328 0.124 0.000 1.087 737 H CA 2.329 58.452 56.048 0.125 0.000 1.319 737 H CB -0.013 29.883 29.762 0.223 0.000 1.379 737 H HN 0.426 nan 8.280 nan 0.000 0.501 738 E N 0.021 120.367 120.200 0.242 0.000 2.077 738 E HA -0.189 4.161 4.350 0.000 0.000 0.193 738 E C 2.310 179.004 176.600 0.156 0.000 0.989 738 E CA 0.931 57.458 56.400 0.213 0.000 0.800 738 E CB -0.307 29.545 29.700 0.254 0.000 0.746 738 E HN 0.598 nan 8.360 nan 0.000 0.452 739 A N 0.579 123.467 122.820 0.115 0.000 1.940 739 A HA -0.148 4.172 4.320 0.000 0.000 0.219 739 A C 2.371 179.977 177.584 0.036 0.000 1.176 739 A CA 1.500 53.583 52.037 0.077 0.000 0.631 739 A CB -0.581 18.460 19.000 0.068 0.000 0.814 739 A HN 0.252 nan 8.150 nan 0.000 0.446 740 V N -1.590 118.333 119.914 0.015 0.000 2.548 740 V HA -0.212 3.908 4.120 0.000 0.000 0.249 740 V C 2.280 178.363 176.094 -0.018 0.000 1.055 740 V CA 1.835 64.123 62.300 -0.020 0.000 1.065 740 V CB -0.900 30.890 31.823 -0.055 0.000 0.681 740 V HN 0.735 nan 8.190 nan 0.000 0.462 741 Y N 1.518 121.738 120.300 -0.134 0.000 2.200 741 Y HA -0.210 4.340 4.550 0.000 0.000 0.290 741 Y C 2.583 178.446 175.900 -0.061 0.000 1.137 741 Y CA 2.167 60.198 58.100 -0.115 0.000 1.163 741 Y CB -0.203 38.188 38.460 -0.114 0.000 0.988 741 Y HN 0.419 nan 8.280 nan 0.000 0.518 742 E N -0.097 120.017 120.200 -0.144 0.000 2.150 742 E HA -0.139 4.211 4.350 0.000 0.000 0.193 742 E C 2.120 178.610 176.600 -0.184 0.000 0.985 742 E CA 0.957 57.227 56.400 -0.217 0.000 0.814 742 E CB -0.242 29.410 29.700 -0.080 0.000 0.752 742 E HN 0.525 nan 8.360 nan 0.000 0.466 743 A N 0.551 123.303 122.820 -0.112 0.000 1.897 743 A HA -0.047 4.274 4.320 0.000 0.000 0.215 743 A C 2.010 179.536 177.584 -0.097 0.000 1.181 743 A CA 1.551 53.541 52.037 -0.078 0.000 0.620 743 A CB 0.062 19.045 19.000 -0.028 0.000 0.821 743 A HN 0.397 nan 8.150 nan 0.000 0.443 744 V N -6.008 113.835 119.914 -0.118 0.000 3.372 744 V HA 0.586 4.706 4.120 0.000 0.000 0.304 744 V C 1.033 177.051 176.094 -0.126 0.000 1.530 744 V CA 0.524 62.763 62.300 -0.102 0.000 1.080 744 V CB -0.542 31.245 31.823 -0.060 0.000 0.929 744 V HN 1.572 nan 8.190 nan 0.000 0.455 745 G N 1.193 109.855 108.800 -0.230 0.000 2.143 745 G HA2 -0.144 3.816 3.960 0.000 0.000 0.248 745 G HA3 -0.144 3.816 3.960 0.000 0.000 0.248 745 G C 0.142 175.062 174.900 0.033 0.000 0.991 745 G CA 0.737 45.688 45.100 -0.247 0.000 0.689 745 G HN 1.940 nan 8.290 nan 0.000 0.522 746 V N -3.488 116.474 119.914 0.081 0.000 2.769 746 V HA 0.893 5.013 4.120 0.000 0.000 0.312 746 V C 0.146 176.303 176.094 0.105 0.000 1.058 746 V CA -1.674 60.684 62.300 0.096 0.000 0.952 746 V CB 1.864 33.691 31.823 0.005 0.000 1.019 746 V HN 0.226 nan 8.190 nan 0.000 0.445 747 R N 2.599 123.114 120.500 0.024 0.000 2.310 747 R HA 0.680 5.020 4.340 0.000 0.000 0.316 747 R C 0.001 176.292 176.300 -0.015 0.000 1.004 747 R CA -0.280 55.776 56.100 -0.073 0.000 0.900 747 R CB 1.645 31.915 30.300 -0.050 0.000 1.152 747 R HN 1.063 nan 8.270 nan 0.000 0.513 748 A N 1.439 124.221 122.820 -0.064 0.000 2.445 748 A HA 0.195 4.515 4.320 0.000 0.000 0.242 748 A C 1.099 178.733 177.584 0.084 0.000 1.075 748 A CA 0.011 52.022 52.037 -0.043 0.000 0.777 748 A CB 0.378 19.268 19.000 -0.183 0.000 1.013 748 A HN 0.790 nan 8.150 nan 0.000 0.493 749 T N -1.817 112.694 114.554 -0.072 0.000 2.975 749 T HA 0.237 4.587 4.350 0.000 0.000 0.261 749 T C -0.272 174.354 174.700 -0.125 0.000 0.984 749 T CA 0.061 62.124 62.100 -0.061 0.000 0.911 749 T CB 0.085 68.841 68.868 -0.186 0.000 1.127 749 T HN 0.575 nan 8.240 nan 0.000 0.514 750 D N 1.058 121.316 120.400 -0.237 0.000 2.505 750 D HA 0.496 5.136 4.640 0.000 0.000 0.249 750 D C -1.337 174.754 176.300 -0.348 0.000 1.082 750 D CA -0.411 53.456 54.000 -0.221 0.000 0.839 750 D CB 1.741 42.488 40.800 -0.089 0.000 1.317 750 D HN 0.142 nan 8.370 nan 0.000 0.497 751 F N 2.092 121.910 119.950 -0.220 0.000 2.458 751 F HA 0.349 4.876 4.527 0.000 0.000 0.330 751 F C -1.709 174.078 175.800 -0.022 0.000 1.082 751 F CA -1.900 56.043 58.000 -0.094 0.000 0.995 751 F CB 1.491 40.449 39.000 -0.070 0.000 1.170 751 F HN 0.019 nan 8.300 nan 0.000 0.478 752 P HA 0.124 nan 4.420 nan 0.000 0.274 752 P C -0.334 176.954 177.300 -0.019 0.000 1.237 752 P CA -0.249 62.934 63.100 0.138 0.000 0.793 752 P CB 1.105 32.846 31.700 0.068 0.000 0.977 753 L N 0.831 122.033 121.223 -0.035 0.000 2.821 753 L HA 0.089 4.429 4.340 0.000 0.000 0.239 753 L C 1.195 178.041 176.870 -0.040 0.000 1.391 753 L CA -0.210 54.571 54.840 -0.099 0.000 1.231 753 L CB -1.160 40.846 42.059 -0.088 0.000 1.598 753 L HN 0.369 nan 8.230 nan 0.000 0.428 754 S N -0.992 114.687 115.700 -0.036 0.000 2.608 754 S HA 0.230 4.700 4.470 0.000 0.000 0.261 754 S C -1.626 172.955 174.600 -0.031 0.000 1.314 754 S CA -1.127 57.055 58.200 -0.029 0.000 0.992 754 S CB 0.575 63.756 63.200 -0.032 0.000 0.935 754 S HN 0.066 nan 8.310 nan 0.000 0.564 755 P HA -0.187 nan 4.420 nan 0.000 0.216 755 P C 1.207 178.493 177.300 -0.023 0.000 1.153 755 P CA 1.647 64.733 63.100 -0.022 0.000 0.858 755 P CB -0.186 31.504 31.700 -0.017 0.000 0.789 756 D N -0.236 120.150 120.400 -0.022 0.000 2.123 756 D HA -0.203 4.437 4.640 0.000 0.000 0.196 756 D C 1.771 178.057 176.300 -0.024 0.000 0.992 756 D CA 1.465 55.453 54.000 -0.020 0.000 0.833 756 D CB -0.951 39.840 40.800 -0.016 0.000 0.954 756 D HN 0.206 nan 8.370 nan 0.000 0.455 757 R N -0.273 120.208 120.500 -0.032 0.000 2.090 757 R HA 0.061 4.401 4.340 0.000 0.000 0.228 757 R C 2.464 178.736 176.300 -0.048 0.000 1.110 757 R CA 0.423 56.498 56.100 -0.042 0.000 0.973 757 R CB -0.036 30.227 30.300 -0.061 0.000 0.869 757 R HN 0.218 nan 8.270 nan 0.000 0.440 758 I N 1.222 121.764 120.570 -0.047 0.000 2.202 758 I HA -0.203 3.967 4.170 0.000 0.000 0.242 758 I C 2.582 178.679 176.117 -0.033 0.000 1.091 758 I CA 1.850 63.123 61.300 -0.045 0.000 1.368 758 I CB -1.496 36.480 38.000 -0.040 0.000 1.058 758 I HN 0.276 nan 8.210 nan 0.000 0.410 759 T N -1.871 112.667 114.554 -0.026 0.000 2.833 759 T HA -0.175 4.175 4.350 0.000 0.000 0.269 759 T C 1.738 176.426 174.700 -0.020 0.000 1.054 759 T CA 1.200 63.288 62.100 -0.021 0.000 1.135 759 T CB -0.381 68.477 68.868 -0.017 0.000 0.869 759 T HN 0.343 nan 8.240 nan 0.000 0.466 760 E N 0.673 120.860 120.200 -0.022 0.000 2.072 760 E HA 0.015 4.365 4.350 0.000 0.000 0.191 760 E C 2.151 178.738 176.600 -0.021 0.000 0.985 760 E CA 0.847 57.236 56.400 -0.020 0.000 0.801 760 E CB -0.241 29.447 29.700 -0.020 0.000 0.750 760 E HN 0.507 nan 8.360 nan 0.000 0.452 761 L N 0.490 121.697 121.223 -0.027 0.000 2.093 761 L HA -0.188 4.152 4.340 0.000 0.000 0.208 761 L C 2.383 179.242 176.870 -0.020 0.000 1.085 761 L CA 0.753 55.577 54.840 -0.026 0.000 0.755 761 L CB -0.248 41.790 42.059 -0.035 0.000 0.904 761 L HN 0.210 nan 8.230 nan 0.000 0.435 762 L N -0.603 120.608 121.223 -0.021 0.000 2.093 762 L HA -0.200 4.140 4.340 0.000 0.000 0.208 762 L C 2.076 178.937 176.870 -0.015 0.000 1.085 762 L CA 0.943 55.772 54.840 -0.019 0.000 0.755 762 L CB -0.488 41.559 42.059 -0.020 0.000 0.904 762 L HN 0.283 nan 8.230 nan 0.000 0.435 763 D N -0.055 120.336 120.400 -0.015 0.000 2.224 763 D HA -0.083 4.557 4.640 0.000 0.000 0.205 763 D C 2.143 178.436 176.300 -0.011 0.000 0.965 763 D CA 1.264 55.257 54.000 -0.012 0.000 0.852 763 D CB 0.179 40.972 40.800 -0.012 0.000 0.947 763 D HN 0.299 nan 8.370 nan 0.000 0.494 764 A N 1.136 123.949 122.820 -0.012 0.000 1.898 764 A HA -0.117 4.203 4.320 0.000 0.000 0.214 764 A C 2.050 179.629 177.584 -0.008 0.000 1.183 764 A CA 1.107 53.138 52.037 -0.010 0.000 0.622 764 A CB -0.352 18.641 19.000 -0.012 0.000 0.824 764 A HN 0.098 nan 8.150 nan 0.000 0.444 765 K N 0.062 120.457 120.400 -0.007 0.000 2.280 765 K HA -0.149 4.171 4.320 0.000 0.000 0.202 765 K C 1.600 178.196 176.600 -0.006 0.000 1.047 765 K CA 1.702 57.987 56.287 -0.004 0.000 0.942 765 K CB -0.099 32.401 32.500 -0.001 0.000 0.739 765 K HN 0.599 nan 8.250 nan 0.000 0.457 766 E N -0.437 119.757 120.200 -0.009 0.000 2.385 766 E HA 0.015 4.365 4.350 0.000 0.000 0.194 766 E C 1.478 178.073 176.600 -0.008 0.000 1.013 766 E CA 0.339 56.733 56.400 -0.010 0.000 0.866 766 E CB 0.174 29.868 29.700 -0.011 0.000 0.832 766 E HN 0.429 nan 8.360 nan 0.000 0.500 767 A N 0.981 123.796 122.820 -0.007 0.000 2.014 767 A HA 0.215 4.536 4.320 0.000 0.000 0.218 767 A C 1.314 178.894 177.584 -0.006 0.000 1.163 767 A CA 0.964 52.997 52.037 -0.007 0.000 0.652 767 A CB -0.123 18.873 19.000 -0.007 0.000 0.808 767 A HN 0.288 nan 8.150 nan 0.000 0.449 768 A N 0.000 122.817 122.820 -0.005 0.000 2.254 768 A HA 0.000 4.320 4.320 0.000 0.000 0.244 768 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 768 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 768 A HN 0.000 nan 8.150 nan 0.000 0.486