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 2wsx_1_A DATA FIRST_RESID 8 DATA SEQUENCE TGIEPKVFFP PLIIVGILCW LTVRDLDAAN VVINAVFSYV TNVWGWAFEW DATA SEQUENCE YMVVMLFGWF WLVFGPYAKK RLGEEPPEFS TASWIFMMFA SCTSAAVLFW DATA SEQUENCE GSIEIYYYIS TPPFGLEPNS TGAKELGLAY SLFHWGPLPW ATYSFLSVAF DATA SEQUENCE AYFFFVRKME VIRPSSTLVP LVGEKHAKGL FGTIVDNFYL VALIFAMGTS DATA SEQUENCE LGLATPLVTE CMQWLFGIPH TLQLDAIIIT CWIILNAICV ACGLQKAVRI DATA SEQUENCE ASDVRSYLSF LMLGWVFIVS GASFIMNYFT DSVGMLLMYL PRMLFYTDPI DATA SEQUENCE AKGGFPQGWT VFYWAWWVIY AIQMSIFLAR ISRGRTVREL CFGMVLGLTA DATA SEQUENCE STWILWTVLG SNTLLLIDKN ILNIPNLIEQ YGVARAIIET WAALPLSTAT DATA SEQUENCE MWGFFILCFI ATVTLVNACS YTLAMSTCRE VRDGEDPPLL VRIGWSILVG DATA SEQUENCE IIGIVLLALG GLKPIQTAII AGGCPLFFVN IMVTLSFIKD AKQNWK 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.690 174.700 -0.017 0.000 1.109 8 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 8 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 9 G N 0.786 109.577 108.800 -0.016 0.000 2.684 9 G HA2 0.593 4.401 3.960 -0.253 0.000 0.255 9 G HA3 0.593 4.401 3.960 -0.253 0.000 0.255 9 G C -0.017 174.860 174.900 -0.038 0.000 1.219 9 G CA -0.582 44.502 45.100 -0.027 0.000 0.901 9 G HN 0.705 nan 8.290 nan 0.000 0.548 10 I N 0.444 120.969 120.570 -0.076 0.000 2.697 10 I HA 0.151 4.169 4.170 -0.253 0.000 0.279 10 I C 0.314 176.370 176.117 -0.101 0.000 1.171 10 I CA -0.239 60.983 61.300 -0.130 0.000 1.135 10 I CB 0.961 38.755 38.000 -0.343 0.000 1.445 10 I HN 0.526 nan 8.210 nan 0.000 0.541 11 E N 5.672 125.871 120.200 -0.002 0.000 2.608 11 E HA -0.059 4.139 4.350 -0.253 0.000 0.259 11 E C -1.566 175.077 176.600 0.071 0.000 0.951 11 E CA -0.756 55.668 56.400 0.040 0.000 0.945 11 E CB 1.001 30.735 29.700 0.058 0.000 0.916 11 E HN 0.279 nan 8.360 nan 0.000 0.477 12 P HA -0.061 nan 4.420 nan 0.000 0.224 12 P C 0.481 177.960 177.300 0.299 0.000 1.159 12 P CA 0.893 64.142 63.100 0.250 0.000 0.824 12 P CB 0.097 32.039 31.700 0.404 0.000 0.833 13 K N 0.162 120.680 120.400 0.197 0.000 2.360 13 K HA -0.005 4.164 4.320 -0.253 0.000 0.201 13 K C 0.906 177.586 176.600 0.133 0.000 1.046 13 K CA 1.398 57.778 56.287 0.155 0.000 0.945 13 K CB -0.693 31.870 32.500 0.105 0.000 0.750 13 K HN 0.020 nan 8.250 nan 0.000 0.464 14 V N -0.355 119.643 119.914 0.140 0.000 3.432 14 V HA 0.110 4.078 4.120 -0.253 0.000 0.298 14 V C 0.933 177.119 176.094 0.153 0.000 1.464 14 V CA -0.233 62.132 62.300 0.109 0.000 1.046 14 V CB -0.259 31.608 31.823 0.073 0.000 0.887 14 V HN 0.292 nan 8.190 nan 0.000 0.441 15 F N -0.040 119.917 119.950 0.012 0.000 2.343 15 F HA 0.186 4.562 4.527 -0.251 0.000 0.286 15 F C 1.837 177.603 175.800 -0.056 0.000 1.057 15 F CA 1.179 59.159 58.000 -0.034 0.000 1.365 15 F CB 0.175 38.966 39.000 -0.348 0.000 1.114 15 F HN 0.087 nan 8.300 nan 0.000 0.545 16 F N 1.148 121.317 119.950 0.366 0.000 2.094 16 F HA 0.111 4.488 4.527 -0.251 0.000 0.291 16 F C -0.526 175.335 175.800 0.101 0.000 1.109 16 F CA 0.695 58.837 58.000 0.237 0.000 1.221 16 F CB -2.435 36.694 39.000 0.214 0.000 1.014 16 F HN -0.104 nan 8.300 nan 0.000 0.473 17 P HA -0.172 nan 4.420 nan 0.000 0.216 17 P C -1.456 175.893 177.300 0.080 0.000 1.157 17 P CA 2.263 65.438 63.100 0.125 0.000 0.880 17 P CB -1.271 30.466 31.700 0.061 0.000 0.791 18 P HA -0.189 nan 4.420 nan 0.000 0.208 18 P C 1.708 179.060 177.300 0.087 0.000 1.180 18 P CA 0.960 64.088 63.100 0.047 0.000 0.935 18 P CB -0.698 31.042 31.700 0.066 0.000 0.785 19 L N -0.603 120.681 121.223 0.102 0.000 2.011 19 L HA -0.244 3.945 4.340 -0.253 0.000 0.225 19 L C 2.347 179.257 176.870 0.066 0.000 1.084 19 L CA 1.850 56.694 54.840 0.007 0.000 0.791 19 L CB -1.569 40.380 42.059 -0.185 0.000 0.898 19 L HN -0.065 nan 8.230 nan 0.000 0.440 20 I N -1.000 119.639 120.570 0.115 0.000 2.068 20 I HA -0.410 3.608 4.170 -0.253 0.000 0.238 20 I C 2.494 178.676 176.117 0.109 0.000 1.046 20 I CA 2.135 63.502 61.300 0.111 0.000 1.306 20 I CB -0.455 37.615 38.000 0.116 0.000 1.023 20 I HN 0.275 nan 8.210 nan 0.000 0.399 21 I N 0.188 120.818 120.570 0.100 0.000 2.194 21 I HA -0.294 3.725 4.170 -0.253 0.000 0.246 21 I C 2.578 178.783 176.117 0.146 0.000 1.093 21 I CA 1.456 62.824 61.300 0.113 0.000 1.355 21 I CB -0.426 37.624 38.000 0.083 0.000 1.046 21 I HN 0.112 nan 8.210 nan 0.000 0.413 22 V N 1.033 121.006 119.914 0.098 0.000 2.343 22 V HA -0.216 3.752 4.120 -0.253 0.000 0.247 22 V C 2.581 178.776 176.094 0.167 0.000 1.051 22 V CA 2.173 64.540 62.300 0.111 0.000 1.036 22 V CB -1.333 30.503 31.823 0.023 0.000 0.654 22 V HN 0.573 nan 8.190 nan 0.000 0.451 23 G N -0.076 108.807 108.800 0.139 0.000 2.433 23 G HA2 -0.207 3.601 3.960 -0.253 0.000 0.216 23 G HA3 -0.207 3.601 3.960 -0.253 0.000 0.216 23 G C 1.572 176.619 174.900 0.245 0.000 1.186 23 G CA 1.063 46.255 45.100 0.154 0.000 0.779 23 G HN 0.463 nan 8.290 nan 0.000 0.543 24 I N 0.516 121.236 120.570 0.250 0.000 2.118 24 I HA -0.206 3.812 4.170 -0.253 0.000 0.241 24 I C 2.783 179.085 176.117 0.308 0.000 1.070 24 I CA 1.017 62.534 61.300 0.362 0.000 1.327 24 I CB -0.313 37.846 38.000 0.265 0.000 1.034 24 I HN 0.128 nan 8.210 nan 0.000 0.405 25 L N -0.533 120.822 121.223 0.220 0.000 2.056 25 L HA -0.250 3.938 4.340 -0.253 0.000 0.207 25 L C 2.782 179.739 176.870 0.145 0.000 1.078 25 L CA 1.006 55.940 54.840 0.157 0.000 0.749 25 L CB -0.683 41.501 42.059 0.209 0.000 0.901 25 L HN 0.438 nan 8.230 nan 0.000 0.433 26 C N -0.489 118.937 119.300 0.210 0.000 2.429 26 C HA -0.211 4.097 4.460 -0.253 0.000 0.277 26 C C 2.724 177.833 174.990 0.197 0.000 1.262 26 C CA 0.418 59.550 59.018 0.190 0.000 1.733 26 C CB -0.799 27.063 27.740 0.203 0.000 2.010 26 C HN 0.794 nan 8.230 nan 0.000 0.483 27 W N 1.289 122.621 121.300 0.054 0.000 2.352 27 W HA -0.091 4.416 4.660 -0.254 0.000 0.322 27 W C 2.023 178.559 176.519 0.028 0.000 1.208 27 W CA 1.559 58.926 57.345 0.037 0.000 1.286 27 W CB -1.131 28.349 29.460 0.035 0.000 1.167 27 W HN 0.258 nan 8.180 nan 0.000 0.469 28 L N 0.551 121.565 121.223 -0.349 0.000 2.151 28 L HA -0.321 3.867 4.340 -0.253 0.000 0.215 28 L C 2.319 179.023 176.870 -0.276 0.000 1.084 28 L CA 2.080 56.604 54.840 -0.527 0.000 0.764 28 L CB -1.273 40.593 42.059 -0.322 0.000 0.891 28 L HN 0.068 nan 8.230 nan 0.000 0.435 29 T N -1.374 113.105 114.554 -0.124 0.000 2.937 29 T HA -0.049 4.150 4.350 -0.253 0.000 0.260 29 T C 1.927 176.590 174.700 -0.061 0.000 1.051 29 T CA 1.062 63.115 62.100 -0.078 0.000 1.141 29 T CB 0.014 68.862 68.868 -0.034 0.000 0.879 29 T HN 0.117 nan 8.240 nan 0.000 0.459 30 V N 1.680 121.579 119.914 -0.025 0.000 2.453 30 V HA -0.092 3.876 4.120 -0.253 0.000 0.247 30 V C 2.513 178.595 176.094 -0.020 0.000 1.048 30 V CA 1.409 63.715 62.300 0.011 0.000 1.049 30 V CB -0.746 31.128 31.823 0.086 0.000 0.672 30 V HN 0.332 nan 8.190 nan 0.000 0.457 31 R N 0.780 121.226 120.500 -0.090 0.000 2.136 31 R HA -0.219 3.970 4.340 -0.253 0.000 0.242 31 R C 0.785 177.037 176.300 -0.081 0.000 1.131 31 R CA 2.324 58.355 56.100 -0.114 0.000 0.937 31 R CB -0.092 30.026 30.300 -0.303 0.000 0.863 31 R HN 0.537 nan 8.270 nan 0.000 0.435 32 D N -1.085 119.254 120.400 -0.101 0.000 2.542 32 D HA 0.128 4.616 4.640 -0.253 0.000 0.252 32 D C 0.207 176.467 176.300 -0.066 0.000 1.222 32 D CA -0.365 53.591 54.000 -0.074 0.000 0.895 32 D CB 1.668 42.418 40.800 -0.083 0.000 1.207 32 D HN 0.033 nan 8.370 nan 0.000 0.558 33 L N 2.849 124.044 121.223 -0.047 0.000 2.068 33 L HA 0.048 4.236 4.340 -0.253 0.000 0.204 33 L C 1.817 178.659 176.870 -0.047 0.000 1.076 33 L CA 1.057 55.871 54.840 -0.044 0.000 0.753 33 L CB -0.476 41.563 42.059 -0.032 0.000 0.910 33 L HN 0.342 nan 8.230 nan 0.000 0.439 34 D N 0.215 120.590 120.400 -0.042 0.000 2.116 34 D HA -0.216 4.272 4.640 -0.253 0.000 0.193 34 D C 2.231 178.503 176.300 -0.046 0.000 0.998 34 D CA 1.705 55.680 54.000 -0.041 0.000 0.836 34 D CB -0.234 40.545 40.800 -0.035 0.000 0.951 34 D HN 0.331 nan 8.370 nan 0.000 0.449 35 A N 0.716 123.506 122.820 -0.050 0.000 1.897 35 A HA 0.070 4.238 4.320 -0.253 0.000 0.215 35 A C 2.292 179.840 177.584 -0.059 0.000 1.181 35 A CA 2.034 54.039 52.037 -0.054 0.000 0.620 35 A CB -0.840 18.124 19.000 -0.059 0.000 0.821 35 A HN 0.221 nan 8.150 nan 0.000 0.443 36 A N 0.643 123.423 122.820 -0.067 0.000 1.873 36 A HA -0.292 3.877 4.320 -0.253 0.000 0.218 36 A C 1.898 179.441 177.584 -0.068 0.000 1.193 36 A CA 2.302 54.296 52.037 -0.072 0.000 0.629 36 A CB -0.947 18.009 19.000 -0.075 0.000 0.826 36 A HN 0.546 nan 8.150 nan 0.000 0.447 37 N N -0.269 118.391 118.700 -0.066 0.000 2.137 37 N HA -0.135 4.453 4.740 -0.253 0.000 0.190 37 N C 1.460 176.934 175.510 -0.061 0.000 1.017 37 N CA 1.462 54.470 53.050 -0.070 0.000 0.859 37 N CB -0.487 37.959 38.487 -0.068 0.000 1.002 37 N HN 0.248 nan 8.380 nan 0.000 0.428 38 V N -0.276 119.608 119.914 -0.051 0.000 2.407 38 V HA -0.166 3.803 4.120 -0.253 0.000 0.248 38 V C 2.120 178.194 176.094 -0.033 0.000 1.055 38 V CA 1.123 63.400 62.300 -0.039 0.000 1.049 38 V CB -0.349 31.452 31.823 -0.036 0.000 0.662 38 V HN 0.122 nan 8.190 nan 0.000 0.455 39 V N -0.294 119.595 119.914 -0.042 0.000 2.244 39 V HA -0.234 3.734 4.120 -0.253 0.000 0.244 39 V C 2.182 178.257 176.094 -0.031 0.000 1.042 39 V CA 2.063 64.339 62.300 -0.039 0.000 1.006 39 V CB -0.497 31.295 31.823 -0.052 0.000 0.641 39 V HN 0.385 nan 8.190 nan 0.000 0.446 40 I N 0.714 121.254 120.570 -0.051 0.000 2.151 40 I HA -0.456 3.562 4.170 -0.253 0.000 0.236 40 I C 2.353 178.465 176.117 -0.008 0.000 1.000 40 I CA 2.522 63.789 61.300 -0.055 0.000 1.285 40 I CB -0.715 37.228 38.000 -0.096 0.000 0.994 40 I HN 0.459 nan 8.210 nan 0.000 0.396 41 N N 0.273 118.961 118.700 -0.020 0.000 2.364 41 N HA -0.138 4.451 4.740 -0.253 0.000 0.183 41 N C 1.797 177.360 175.510 0.089 0.000 1.022 41 N CA 1.075 54.137 53.050 0.020 0.000 0.883 41 N CB -0.067 38.406 38.487 -0.022 0.000 0.965 41 N HN 0.443 nan 8.380 nan 0.000 0.438 42 A N 1.122 123.974 122.820 0.054 0.000 1.841 42 A HA -0.065 4.103 4.320 -0.253 0.000 0.214 42 A C 2.506 180.153 177.584 0.105 0.000 1.195 42 A CA 1.019 53.093 52.037 0.062 0.000 0.611 42 A CB -0.813 18.198 19.000 0.019 0.000 0.835 42 A HN 0.049 nan 8.150 nan 0.000 0.443 43 V N -0.647 119.319 119.914 0.087 0.000 2.231 43 V HA -0.295 3.674 4.120 -0.253 0.000 0.248 43 V C 2.301 178.488 176.094 0.155 0.000 1.054 43 V CA 2.368 64.737 62.300 0.116 0.000 1.015 43 V CB -1.250 30.608 31.823 0.059 0.000 0.638 43 V HN 0.607 nan 8.190 nan 0.000 0.444 44 F N 1.452 121.394 119.950 -0.013 0.000 2.032 44 F HA -0.302 4.072 4.527 -0.255 0.000 0.297 44 F C 2.643 178.436 175.800 -0.012 0.000 1.125 44 F CA 2.378 60.347 58.000 -0.051 0.000 1.202 44 F CB -0.702 38.225 39.000 -0.122 0.000 0.958 44 F HN 0.073 nan 8.300 nan 0.000 0.491 45 S N -1.012 114.686 115.700 -0.004 0.000 2.399 45 S HA -0.223 4.096 4.470 -0.253 0.000 0.231 45 S C 1.661 176.204 174.600 -0.094 0.000 1.022 45 S CA 1.182 59.307 58.200 -0.125 0.000 0.983 45 S CB -0.783 62.460 63.200 0.072 0.000 0.803 45 S HN 0.655 nan 8.310 nan 0.000 0.480 46 Y N 2.191 122.452 120.300 -0.066 0.000 2.060 46 Y HA -0.206 4.192 4.550 -0.253 0.000 0.276 46 Y C 2.238 178.163 175.900 0.041 0.000 1.127 46 Y CA 1.735 59.835 58.100 0.000 0.000 1.104 46 Y CB -0.797 37.693 38.460 0.050 0.000 0.983 46 Y HN -0.007 nan 8.280 nan 0.000 0.483 47 V N 0.750 120.664 119.914 0.001 0.000 2.233 47 V HA -0.457 3.511 4.120 -0.253 0.000 0.252 47 V C 2.583 178.615 176.094 -0.104 0.000 1.063 47 V CA 3.121 65.419 62.300 -0.003 0.000 1.032 47 V CB -1.699 30.159 31.823 0.058 0.000 0.645 47 V HN 0.783 nan 8.190 nan 0.000 0.446 48 T N -1.757 112.627 114.554 -0.284 0.000 2.737 48 T HA -0.208 3.991 4.350 -0.253 0.000 0.265 48 T C 1.706 176.279 174.700 -0.212 0.000 1.038 48 T CA 1.822 63.738 62.100 -0.307 0.000 1.144 48 T CB -0.616 67.878 68.868 -0.623 0.000 0.866 48 T HN 0.514 nan 8.240 nan 0.000 0.434 49 N N 0.900 119.448 118.700 -0.252 0.000 2.270 49 N HA -0.020 4.568 4.740 -0.253 0.000 0.181 49 N C 1.891 177.295 175.510 -0.176 0.000 1.016 49 N CA 1.276 54.222 53.050 -0.175 0.000 0.870 49 N CB -0.055 38.342 38.487 -0.149 0.000 0.979 49 N HN 0.324 nan 8.380 nan 0.000 0.431 50 V N -1.370 118.350 119.914 -0.324 0.000 2.725 50 V HA -0.030 3.938 4.120 -0.253 0.000 0.247 50 V C 0.979 176.768 176.094 -0.508 0.000 1.058 50 V CA 1.002 62.992 62.300 -0.517 0.000 1.080 50 V CB -0.260 31.003 31.823 -0.934 0.000 0.713 50 V HN 0.344 nan 8.190 nan 0.000 0.465 51 W N -0.445 120.741 121.300 -0.190 0.000 2.773 51 W HA 0.405 4.913 4.660 -0.253 0.000 0.297 51 W C 2.240 178.488 176.519 -0.451 0.000 1.050 51 W CA 0.332 57.447 57.345 -0.382 0.000 1.467 51 W CB -0.174 29.067 29.460 -0.365 0.000 0.977 51 W HN 0.162 nan 8.180 nan 0.000 0.573 52 G N 2.534 111.367 108.800 0.055 0.000 2.562 52 G HA2 -0.333 3.475 3.960 -0.253 0.000 0.223 52 G HA3 -0.333 3.475 3.960 -0.253 0.000 0.223 52 G C 1.181 176.212 174.900 0.217 0.000 1.102 52 G CA 1.435 46.623 45.100 0.148 0.000 0.742 52 G HN 0.474 nan 8.290 nan 0.000 0.587 53 W N 0.362 121.808 121.300 0.243 0.000 2.402 53 W HA 0.267 4.777 4.660 -0.250 0.000 0.286 53 W C 2.172 178.971 176.519 0.466 0.000 1.221 53 W CA 0.814 58.345 57.345 0.310 0.000 1.257 53 W CB -1.095 28.530 29.460 0.276 0.000 1.120 53 W HN 0.281 nan 8.180 nan 0.000 0.551 54 A N 0.800 123.303 122.820 -0.530 0.000 1.969 54 A HA -0.068 4.100 4.320 -0.253 0.000 0.218 54 A C 1.824 179.432 177.584 0.041 0.000 1.169 54 A CA 1.137 52.906 52.037 -0.445 0.000 0.635 54 A CB -1.255 17.062 19.000 -1.138 0.000 0.810 54 A HN 0.192 nan 8.150 nan 0.000 0.445 55 F N 0.467 120.475 119.950 0.096 0.000 2.102 55 F HA -0.148 4.227 4.527 -0.253 0.000 0.298 55 F C 2.465 178.551 175.800 0.477 0.000 1.105 55 F CA 1.985 60.169 58.000 0.306 0.000 1.239 55 F CB -0.405 38.744 39.000 0.248 0.000 0.991 55 F HN 0.314 nan 8.300 nan 0.000 0.474 56 E N -1.287 119.290 120.200 0.629 0.000 2.085 56 E HA -0.277 3.922 4.350 -0.253 0.000 0.194 56 E C 2.148 178.892 176.600 0.239 0.000 0.994 56 E CA 1.670 58.373 56.400 0.505 0.000 0.801 56 E CB -0.531 29.322 29.700 0.254 0.000 0.743 56 E HN 0.509 nan 8.360 nan 0.000 0.453 57 W N 0.277 121.777 121.300 0.334 0.000 2.374 57 W HA -0.195 4.314 4.660 -0.252 0.000 0.288 57 W C 2.217 178.846 176.519 0.183 0.000 1.218 57 W CA 1.102 58.609 57.345 0.269 0.000 1.245 57 W CB -0.414 29.254 29.460 0.347 0.000 1.126 57 W HN 0.185 nan 8.180 nan 0.000 0.545 58 Y N 0.526 121.020 120.300 0.324 0.000 2.036 58 Y HA -0.406 3.991 4.550 -0.255 0.000 0.273 58 Y C 2.496 178.384 175.900 -0.020 0.000 1.135 58 Y CA 2.286 60.444 58.100 0.095 0.000 1.106 58 Y CB -0.767 37.714 38.460 0.034 0.000 0.976 58 Y HN -0.245 nan 8.280 nan 0.000 0.483 59 M N -0.425 119.258 119.600 0.139 0.000 2.143 59 M HA -0.248 4.080 4.480 -0.253 0.000 0.258 59 M C 2.175 178.339 176.300 -0.226 0.000 1.071 59 M CA 1.412 56.584 55.300 -0.213 0.000 1.088 59 M CB -1.479 30.754 32.600 -0.612 0.000 1.360 59 M HN 0.357 nan 8.290 nan 0.000 0.404 60 V N -0.382 119.451 119.914 -0.135 0.000 2.358 60 V HA -0.199 3.769 4.120 -0.253 0.000 0.246 60 V C 2.538 178.628 176.094 -0.006 0.000 1.047 60 V CA 1.202 63.421 62.300 -0.136 0.000 1.035 60 V CB -0.344 31.312 31.823 -0.278 0.000 0.658 60 V HN 0.198 nan 8.190 nan 0.000 0.452 61 V N -0.502 119.423 119.914 0.019 0.000 2.216 61 V HA -0.316 3.652 4.120 -0.253 0.000 0.243 61 V C 2.545 178.616 176.094 -0.037 0.000 1.044 61 V CA 2.280 64.578 62.300 -0.003 0.000 0.995 61 V CB -0.583 31.188 31.823 -0.087 0.000 0.633 61 V HN 0.412 nan 8.190 nan 0.000 0.446 62 M N -1.041 118.426 119.600 -0.222 0.000 2.195 62 M HA -0.263 4.065 4.480 -0.253 0.000 0.254 62 M C 2.087 178.390 176.300 0.004 0.000 1.083 62 M CA 1.889 57.074 55.300 -0.192 0.000 1.069 62 M CB -1.574 30.845 32.600 -0.301 0.000 1.364 62 M HN 0.360 nan 8.290 nan 0.000 0.403 63 L N -0.336 120.888 121.223 0.002 0.000 2.007 63 L HA -0.136 4.052 4.340 -0.253 0.000 0.205 63 L C 2.342 179.374 176.870 0.271 0.000 1.073 63 L CA 1.571 56.464 54.840 0.090 0.000 0.744 63 L CB -1.091 40.950 42.059 -0.030 0.000 0.898 63 L HN 0.259 nan 8.230 nan 0.000 0.435 64 F N 0.456 120.426 119.950 0.034 0.000 2.085 64 F HA -0.241 4.134 4.527 -0.254 0.000 0.299 64 F C 2.008 177.933 175.800 0.208 0.000 1.096 64 F CA 2.080 60.095 58.000 0.024 0.000 1.227 64 F CB -0.930 38.052 39.000 -0.029 0.000 0.983 64 F HN 0.126 nan 8.300 nan 0.000 0.482 65 G N -1.548 107.364 108.800 0.187 0.000 2.598 65 G HA2 -0.281 3.528 3.960 -0.253 0.000 0.215 65 G HA3 -0.281 3.528 3.960 -0.253 0.000 0.215 65 G C 1.277 176.360 174.900 0.305 0.000 1.131 65 G CA 0.340 45.495 45.100 0.092 0.000 0.785 65 G HN 0.702 nan 8.290 nan 0.000 0.539 66 W N 0.699 122.087 121.300 0.146 0.000 2.388 66 W HA 0.054 4.560 4.660 -0.256 0.000 0.294 66 W C 1.884 178.354 176.519 -0.081 0.000 1.212 66 W CA 0.930 58.327 57.345 0.087 0.000 1.271 66 W CB -0.142 29.340 29.460 0.037 0.000 1.126 66 W HN 0.154 nan 8.180 nan 0.000 0.535 67 F N -0.917 119.110 119.950 0.129 0.000 2.075 67 F HA -0.164 4.211 4.527 -0.253 0.000 0.297 67 F C 2.225 177.788 175.800 -0.394 0.000 1.113 67 F CA 1.755 59.584 58.000 -0.284 0.000 1.218 67 F CB -1.434 37.380 39.000 -0.310 0.000 0.984 67 F HN -0.045 nan 8.300 nan 0.000 0.472 68 W N 1.105 122.235 121.300 -0.284 0.000 2.331 68 W HA -0.211 4.296 4.660 -0.255 0.000 0.291 68 W C 1.852 178.285 176.519 -0.144 0.000 1.214 68 W CA 1.591 58.795 57.345 -0.234 0.000 1.228 68 W CB -0.297 29.036 29.460 -0.212 0.000 1.135 68 W HN -0.009 nan 8.180 nan 0.000 0.537 69 L N -0.828 120.388 121.223 -0.012 0.000 2.044 69 L HA -0.215 3.973 4.340 -0.253 0.000 0.205 69 L C 2.267 178.856 176.870 -0.468 0.000 1.075 69 L CA 1.230 55.935 54.840 -0.224 0.000 0.747 69 L CB -1.150 40.856 42.059 -0.088 0.000 0.903 69 L HN -0.163 nan 8.230 nan 0.000 0.435 70 V N -0.969 118.563 119.914 -0.637 0.000 2.379 70 V HA -0.235 3.733 4.120 -0.253 0.000 0.245 70 V C 1.734 177.789 176.094 -0.066 0.000 1.044 70 V CA 1.638 63.537 62.300 -0.668 0.000 1.036 70 V CB -0.393 30.680 31.823 -1.249 0.000 0.664 70 V HN 0.344 nan 8.190 nan 0.000 0.453 71 F N 0.001 119.740 119.950 -0.352 0.000 2.641 71 F HA 0.404 4.780 4.527 -0.252 0.000 0.302 71 F C 1.563 177.162 175.800 -0.335 0.000 1.098 71 F CA -0.265 57.589 58.000 -0.242 0.000 1.318 71 F CB 0.066 39.006 39.000 -0.100 0.000 1.035 71 F HN 0.257 nan 8.300 nan 0.000 0.551 72 G N 1.826 110.398 108.800 -0.381 0.000 2.553 72 G HA2 0.115 3.923 3.960 -0.253 0.000 0.278 72 G HA3 0.115 3.923 3.960 -0.253 0.000 0.278 72 G C -1.395 173.191 174.900 -0.524 0.000 1.349 72 G CA -0.616 44.020 45.100 -0.774 0.000 1.037 72 G HN -0.086 nan 8.290 nan 0.000 0.508 73 P HA -0.042 nan 4.420 nan 0.000 0.219 73 P C 0.777 178.001 177.300 -0.127 0.000 1.154 73 P CA 1.132 64.094 63.100 -0.230 0.000 0.826 73 P CB 0.129 31.785 31.700 -0.073 0.000 0.795 74 Y N -0.165 119.795 120.300 -0.567 0.000 2.519 74 Y HA 0.191 4.588 4.550 -0.254 0.000 0.311 74 Y C 2.468 178.076 175.900 -0.488 0.000 1.207 74 Y CA -0.455 57.280 58.100 -0.607 0.000 1.289 74 Y CB -0.531 37.595 38.460 -0.556 0.000 1.059 74 Y HN -0.026 nan 8.280 nan 0.000 0.507 75 A N 1.357 124.012 122.820 -0.274 0.000 1.892 75 A HA -0.235 3.934 4.320 -0.253 0.000 0.218 75 A C 2.085 179.546 177.584 -0.204 0.000 1.188 75 A CA 1.740 53.623 52.037 -0.257 0.000 0.631 75 A CB -0.265 18.598 19.000 -0.228 0.000 0.822 75 A HN 0.391 nan 8.150 nan 0.000 0.447 76 K N -0.620 119.665 120.400 -0.192 0.000 2.361 76 K HA 0.083 4.251 4.320 -0.253 0.000 0.194 76 K C -0.122 176.387 176.600 -0.152 0.000 1.032 76 K CA -0.222 55.977 56.287 -0.147 0.000 1.048 76 K CB 0.215 32.641 32.500 -0.123 0.000 0.842 76 K HN 0.170 nan 8.250 nan 0.000 0.526 77 K N 2.222 122.468 120.400 -0.255 0.000 2.550 77 K HA -0.068 4.100 4.320 -0.253 0.000 0.280 77 K C 0.164 176.746 176.600 -0.031 0.000 0.987 77 K CA 0.540 56.651 56.287 -0.294 0.000 1.048 77 K CB 0.333 32.307 32.500 -0.875 0.000 0.879 77 K HN 0.079 nan 8.250 nan 0.000 0.491 78 R N 2.325 122.878 120.500 0.088 0.000 2.404 78 R HA 0.190 4.378 4.340 -0.253 0.000 0.291 78 R C 0.061 176.548 176.300 0.311 0.000 1.025 78 R CA -0.382 55.804 56.100 0.143 0.000 0.991 78 R CB 0.509 30.856 30.300 0.078 0.000 1.053 78 R HN 0.459 nan 8.270 nan 0.000 0.479 79 L N 4.729 126.113 121.223 0.268 0.000 2.480 79 L HA 0.325 4.513 4.340 -0.253 0.000 0.243 79 L C 0.334 177.373 176.870 0.282 0.000 1.315 79 L CA 0.163 55.215 54.840 0.354 0.000 1.231 79 L CB 0.213 42.489 42.059 0.361 0.000 1.444 79 L HN 0.978 nan 8.230 nan 0.000 0.409 80 G N 0.227 109.163 108.800 0.227 0.000 2.650 80 G HA2 -0.157 3.651 3.960 -0.253 0.000 0.686 80 G HA3 -0.157 3.651 3.960 -0.253 0.000 0.686 80 G C 0.090 175.016 174.900 0.043 0.000 1.205 80 G CA -0.606 44.566 45.100 0.119 0.000 0.781 80 G HN 0.432 nan 8.290 nan 0.000 0.648 81 E N 0.918 121.129 120.200 0.018 0.000 2.028 81 E HA 0.148 4.346 4.350 -0.253 0.000 0.190 81 E C 1.926 178.502 176.600 -0.040 0.000 0.984 81 E CA 1.160 57.561 56.400 0.001 0.000 0.800 81 E CB -0.184 29.519 29.700 0.005 0.000 0.758 81 E HN 1.077 nan 8.360 nan 0.000 0.448 82 E N 2.261 122.419 120.200 -0.070 0.000 2.521 82 E HA -0.052 4.146 4.350 -0.253 0.000 0.270 82 E C -2.410 174.125 176.600 -0.109 0.000 1.082 82 E CA -0.653 55.690 56.400 -0.095 0.000 0.997 82 E CB -1.082 28.542 29.700 -0.127 0.000 0.990 82 E HN -0.035 nan 8.360 nan 0.000 0.458 83 P HA 0.256 nan 4.420 nan 0.000 0.274 83 P C -2.408 174.807 177.300 -0.143 0.000 1.256 83 P CA -1.008 62.025 63.100 -0.110 0.000 0.795 83 P CB 0.259 31.903 31.700 -0.094 0.000 1.038 84 P HA 0.114 nan 4.420 nan 0.000 0.282 84 P C -0.265 176.954 177.300 -0.135 0.000 1.262 84 P CA -0.087 62.921 63.100 -0.154 0.000 0.773 84 P CB 0.484 32.068 31.700 -0.195 0.000 0.879 85 E N 2.238 122.348 120.200 -0.150 0.000 2.320 85 E HA 0.245 4.443 4.350 -0.253 0.000 0.189 85 E C -0.633 175.652 176.600 -0.525 0.000 1.100 85 E CA -0.157 56.059 56.400 -0.306 0.000 1.009 85 E CB -0.435 29.042 29.700 -0.372 0.000 1.145 85 E HN 0.285 nan 8.360 nan 0.000 0.454 86 F N 0.737 120.643 119.950 -0.073 0.000 2.631 86 F HA 0.234 4.616 4.527 -0.241 0.000 0.308 86 F C -0.031 175.752 175.800 -0.028 0.000 1.097 86 F CA -1.336 56.656 58.000 -0.015 0.000 0.952 86 F CB 1.942 40.982 39.000 0.068 0.000 1.307 86 F HN -0.047 nan 8.300 nan 0.000 0.450 87 S N -0.136 115.705 115.700 0.235 0.000 2.549 87 S HA 0.126 4.444 4.470 -0.253 0.000 0.279 87 S C 0.849 175.565 174.600 0.193 0.000 1.321 87 S CA -0.261 58.024 58.200 0.142 0.000 1.054 87 S CB 1.208 64.478 63.200 0.117 0.000 0.899 87 S HN 0.719 nan 8.310 nan 0.000 0.497 88 T N 3.032 117.655 114.554 0.116 0.000 2.760 88 T HA -0.177 4.021 4.350 -0.253 0.000 0.269 88 T C 2.000 176.877 174.700 0.295 0.000 1.047 88 T CA 1.877 64.085 62.100 0.180 0.000 1.139 88 T CB -0.648 68.275 68.868 0.092 0.000 0.855 88 T HN 0.879 nan 8.240 nan 0.000 0.471 89 A N 0.416 123.349 122.820 0.189 0.000 1.930 89 A HA 0.030 4.199 4.320 -0.253 0.000 0.215 89 A C 2.526 180.228 177.584 0.198 0.000 1.176 89 A CA 1.733 53.866 52.037 0.159 0.000 0.632 89 A CB -0.876 18.176 19.000 0.087 0.000 0.819 89 A HN 0.444 nan 8.150 nan 0.000 0.445 90 S N -1.410 114.419 115.700 0.215 0.000 2.351 90 S HA -0.238 4.080 4.470 -0.253 0.000 0.220 90 S C 1.627 176.373 174.600 0.243 0.000 1.035 90 S CA 1.860 60.200 58.200 0.234 0.000 1.031 90 S CB -0.585 62.808 63.200 0.321 0.000 0.928 90 S HN 0.696 nan 8.310 nan 0.000 0.433 91 W N 1.935 123.240 121.300 0.008 0.000 2.278 91 W HA -0.270 4.250 4.660 -0.235 0.000 0.336 91 W C 2.041 178.544 176.519 -0.027 0.000 1.322 91 W CA 2.204 59.483 57.345 -0.110 0.000 1.217 91 W CB -1.169 28.280 29.460 -0.018 0.000 1.140 91 W HN 0.366 nan 8.180 nan 0.000 0.465 92 I N -0.661 119.947 120.570 0.063 0.000 2.113 92 I HA -0.379 3.639 4.170 -0.253 0.000 0.242 92 I C 2.544 178.632 176.117 -0.047 0.000 1.064 92 I CA 2.083 63.293 61.300 -0.149 0.000 1.320 92 I CB -0.907 37.071 38.000 -0.035 0.000 1.028 92 I HN 0.039 nan 8.210 nan 0.000 0.406 93 F N 1.010 120.925 119.950 -0.059 0.000 2.202 93 F HA -0.280 4.103 4.527 -0.239 0.000 0.301 93 F C 2.485 178.314 175.800 0.049 0.000 1.082 93 F CA 1.570 59.567 58.000 -0.005 0.000 1.313 93 F CB -0.104 38.897 39.000 0.000 0.000 1.024 93 F HN -0.022 nan 8.300 nan 0.000 0.495 94 M N -0.547 119.170 119.600 0.195 0.000 2.229 94 M HA -0.219 4.110 4.480 -0.253 0.000 0.264 94 M C 2.016 178.348 176.300 0.054 0.000 1.063 94 M CA 1.460 56.836 55.300 0.127 0.000 1.114 94 M CB -0.378 32.191 32.600 -0.052 0.000 1.387 94 M HN 0.276 nan 8.290 nan 0.000 0.420 95 M N -1.011 118.540 119.600 -0.081 0.000 2.081 95 M HA -0.110 4.218 4.480 -0.253 0.000 0.261 95 M C 2.152 178.350 176.300 -0.169 0.000 1.075 95 M CA 1.557 56.765 55.300 -0.153 0.000 1.133 95 M CB -0.968 31.442 32.600 -0.317 0.000 1.330 95 M HN 0.060 nan 8.290 nan 0.000 0.414 96 F N 1.755 121.513 119.950 -0.320 0.000 2.176 96 F HA -0.288 4.106 4.527 -0.223 0.000 0.301 96 F C 2.351 178.005 175.800 -0.243 0.000 1.071 96 F CA 1.792 59.598 58.000 -0.323 0.000 1.289 96 F CB -0.251 38.472 39.000 -0.462 0.000 1.028 96 F HN 0.143 nan 8.300 nan 0.000 0.494 97 A N -1.456 121.254 122.820 -0.183 0.000 2.147 97 A HA 0.049 4.217 4.320 -0.253 0.000 0.211 97 A C 2.165 179.643 177.584 -0.176 0.000 1.160 97 A CA 0.852 52.786 52.037 -0.171 0.000 0.781 97 A CB -0.853 18.109 19.000 -0.064 0.000 0.842 97 A HN 0.407 nan 8.150 nan 0.000 0.475 98 S N -0.879 114.711 115.700 -0.184 0.000 2.387 98 S HA -0.166 4.152 4.470 -0.253 0.000 0.226 98 S C 1.825 176.268 174.600 -0.261 0.000 1.026 98 S CA 1.268 59.317 58.200 -0.251 0.000 0.972 98 S CB -1.205 61.741 63.200 -0.424 0.000 0.814 98 S HN 0.501 nan 8.310 nan 0.000 0.477 99 C N 2.912 122.063 119.300 -0.248 0.000 2.410 99 C HA 0.005 4.314 4.460 -0.253 0.000 0.281 99 C C 1.900 176.795 174.990 -0.159 0.000 1.318 99 C CA 1.156 60.076 59.018 -0.163 0.000 1.776 99 C CB -1.804 25.868 27.740 -0.113 0.000 1.942 99 C HN 0.792 nan 8.230 nan 0.000 0.508 100 T N -0.360 114.069 114.554 -0.210 0.000 2.840 100 T HA 0.299 4.497 4.350 -0.253 0.000 0.276 100 T C -0.135 174.458 174.700 -0.178 0.000 0.912 100 T CA 0.087 62.069 62.100 -0.198 0.000 1.116 100 T CB 0.548 69.254 68.868 -0.269 0.000 0.895 100 T HN 0.358 nan 8.240 nan 0.000 0.570 101 S N 2.363 117.970 115.700 -0.154 0.000 2.745 101 S HA 0.700 5.018 4.470 -0.253 0.000 0.292 101 S C 1.700 176.245 174.600 -0.092 0.000 1.133 101 S CA -0.320 57.796 58.200 -0.139 0.000 0.998 101 S CB 0.914 64.016 63.200 -0.163 0.000 1.087 101 S HN 0.854 nan 8.310 nan 0.000 0.551 102 A N 2.034 124.812 122.820 -0.070 0.000 1.858 102 A HA 0.135 4.303 4.320 -0.253 0.000 0.216 102 A C 2.337 179.938 177.584 0.029 0.000 1.190 102 A CA 1.974 54.005 52.037 -0.010 0.000 0.617 102 A CB -1.674 17.311 19.000 -0.025 0.000 0.827 102 A HN 1.297 nan 8.150 nan 0.000 0.443 103 A N -1.065 121.758 122.820 0.005 0.000 2.070 103 A HA 0.059 4.227 4.320 -0.253 0.000 0.220 103 A C 2.199 179.802 177.584 0.031 0.000 1.159 103 A CA 1.570 53.617 52.037 0.018 0.000 0.656 103 A CB -0.740 18.313 19.000 0.088 0.000 0.800 103 A HN 0.479 nan 8.150 nan 0.000 0.453 104 V N -0.119 119.781 119.914 -0.023 0.000 2.548 104 V HA -0.141 3.827 4.120 -0.253 0.000 0.249 104 V C 2.358 178.339 176.094 -0.187 0.000 1.055 104 V CA 1.421 63.659 62.300 -0.103 0.000 1.065 104 V CB -0.335 31.411 31.823 -0.129 0.000 0.681 104 V HN 0.617 nan 8.190 nan 0.000 0.462 105 L N -1.351 119.844 121.223 -0.046 0.000 2.131 105 L HA -0.202 3.986 4.340 -0.253 0.000 0.210 105 L C 2.277 179.206 176.870 0.099 0.000 1.092 105 L CA 2.048 56.920 54.840 0.054 0.000 0.759 105 L CB -0.590 41.591 42.059 0.203 0.000 0.903 105 L HN 0.426 nan 8.230 nan 0.000 0.435 106 F N -0.171 119.721 119.950 -0.097 0.000 2.039 106 F HA -0.239 4.133 4.527 -0.259 0.000 0.294 106 F C 2.199 177.886 175.800 -0.188 0.000 1.130 106 F CA 1.661 59.535 58.000 -0.209 0.000 1.189 106 F CB -0.461 38.298 39.000 -0.402 0.000 0.983 106 F HN -0.051 nan 8.300 nan 0.000 0.471 107 W N 0.453 121.862 121.300 0.182 0.000 2.353 107 W HA -0.061 4.436 4.660 -0.272 0.000 0.319 107 W C 2.728 179.035 176.519 -0.354 0.000 1.207 107 W CA 0.923 58.322 57.345 0.089 0.000 1.291 107 W CB -1.332 28.316 29.460 0.314 0.000 1.159 107 W HN 0.175 nan 8.180 nan 0.000 0.478 108 G N -0.186 108.190 108.800 -0.706 0.000 2.597 108 G HA2 -0.367 3.442 3.960 -0.253 0.000 0.222 108 G HA3 -0.367 3.442 3.960 -0.253 0.000 0.222 108 G C 1.548 176.176 174.900 -0.453 0.000 1.135 108 G CA 1.719 46.113 45.100 -1.177 0.000 0.759 108 G HN 0.264 nan 8.290 nan 0.000 0.595 109 S N -0.783 114.775 115.700 -0.236 0.000 2.425 109 S HA 0.102 4.420 4.470 -0.253 0.000 0.225 109 S C 1.909 176.407 174.600 -0.170 0.000 1.024 109 S CA 0.686 58.805 58.200 -0.135 0.000 0.951 109 S CB 0.056 63.193 63.200 -0.105 0.000 0.796 109 S HN 0.313 nan 8.310 nan 0.000 0.498 110 I N 1.195 121.670 120.570 -0.160 0.000 4.139 110 I HA 0.141 4.159 4.170 -0.253 0.000 0.320 110 I C 1.854 178.044 176.117 0.121 0.000 1.290 110 I CA 0.171 61.418 61.300 -0.088 0.000 1.253 110 I CB -0.050 37.847 38.000 -0.171 0.000 1.122 110 I HN 0.257 nan 8.210 nan 0.000 0.421 111 E N 0.820 121.106 120.200 0.142 0.000 2.150 111 E HA -0.231 3.968 4.350 -0.253 0.000 0.193 111 E C 2.243 178.536 176.600 -0.512 0.000 0.985 111 E CA 1.578 57.981 56.400 0.006 0.000 0.814 111 E CB -0.705 29.006 29.700 0.018 0.000 0.752 111 E HN 0.575 nan 8.360 nan 0.000 0.466 112 I N 0.562 120.957 120.570 -0.291 0.000 2.454 112 I HA -0.270 3.748 4.170 -0.253 0.000 0.254 112 I C 2.253 178.337 176.117 -0.055 0.000 1.156 112 I CA 1.218 62.394 61.300 -0.206 0.000 1.433 112 I CB -0.117 37.936 38.000 0.088 0.000 1.082 112 I HN 0.202 nan 8.210 nan 0.000 0.432 113 Y N 1.248 121.458 120.300 -0.151 0.000 2.114 113 Y HA -0.328 4.070 4.550 -0.254 0.000 0.284 113 Y C 2.016 177.848 175.900 -0.114 0.000 1.143 113 Y CA 1.963 59.959 58.100 -0.173 0.000 1.135 113 Y CB -0.974 37.291 38.460 -0.325 0.000 0.980 113 Y HN 0.193 nan 8.280 nan 0.000 0.499 114 Y N -1.138 119.041 120.300 -0.201 0.000 2.293 114 Y HA -0.236 4.161 4.550 -0.255 0.000 0.291 114 Y C 2.260 178.194 175.900 0.055 0.000 1.137 114 Y CA 1.491 59.505 58.100 -0.143 0.000 1.202 114 Y CB -0.935 37.700 38.460 0.291 0.000 0.990 114 Y HN 0.183 nan 8.280 nan 0.000 0.537 115 Y N -0.250 120.091 120.300 0.068 0.000 2.165 115 Y HA -0.239 4.159 4.550 -0.254 0.000 0.286 115 Y C 2.294 178.236 175.900 0.071 0.000 1.155 115 Y CA 0.713 58.864 58.100 0.085 0.000 1.164 115 Y CB -1.112 37.391 38.460 0.071 0.000 0.978 115 Y HN 0.158 nan 8.280 nan 0.000 0.513 116 I N -0.890 119.771 120.570 0.151 0.000 2.277 116 I HA -0.219 3.799 4.170 -0.253 0.000 0.243 116 I C 2.612 178.712 176.117 -0.027 0.000 1.094 116 I CA 1.253 62.587 61.300 0.057 0.000 1.393 116 I CB -0.787 37.231 38.000 0.030 0.000 1.078 116 I HN 0.152 nan 8.210 nan 0.000 0.417 117 S N 0.182 115.761 115.700 -0.201 0.000 2.365 117 S HA -0.220 4.098 4.470 -0.253 0.000 0.221 117 S C 1.474 176.054 174.600 -0.033 0.000 1.037 117 S CA 1.874 59.931 58.200 -0.238 0.000 1.060 117 S CB -0.676 62.131 63.200 -0.655 0.000 0.974 117 S HN 0.466 nan 8.310 nan 0.000 0.427 118 T N 3.158 117.748 114.554 0.060 0.000 2.912 118 T HA 0.696 4.895 4.350 -0.253 0.000 0.326 118 T C -3.078 171.778 174.700 0.261 0.000 1.080 118 T CA -2.227 59.957 62.100 0.140 0.000 1.000 118 T CB 1.472 70.427 68.868 0.144 0.000 1.008 118 T HN 0.214 nan 8.240 nan 0.000 0.473 119 P HA 0.563 nan 4.420 nan 0.000 0.282 119 P C -2.787 174.497 177.300 -0.027 0.000 1.287 119 P CA -1.692 61.493 63.100 0.143 0.000 0.792 119 P CB 0.275 31.994 31.700 0.031 0.000 1.163 120 P HA 0.424 nan 4.420 nan 0.000 0.288 120 P C -0.565 176.378 177.300 -0.595 0.000 1.297 120 P CA -0.838 61.601 63.100 -1.101 0.000 0.864 120 P CB 0.529 30.731 31.700 -2.497 0.000 1.237 121 F N -2.139 117.694 119.950 -0.196 0.000 3.057 121 F HA -0.172 4.203 4.527 -0.253 0.000 0.287 121 F C 1.189 176.972 175.800 -0.029 0.000 0.834 121 F CA 0.585 58.533 58.000 -0.087 0.000 1.147 121 F CB -2.587 36.295 39.000 -0.197 0.000 1.245 121 F HN 0.689 nan 8.300 nan 0.000 0.509 122 G N 1.178 110.038 108.800 0.101 0.000 2.333 122 G HA2 -0.258 3.550 3.960 -0.253 0.000 0.296 122 G HA3 -0.258 3.550 3.960 -0.253 0.000 0.296 122 G C -0.280 174.658 174.900 0.063 0.000 1.059 122 G CA 0.144 45.291 45.100 0.079 0.000 1.050 122 G HN 0.509 nan 8.290 nan 0.000 0.508 123 L N -0.347 120.901 121.223 0.042 0.000 2.334 123 L HA 0.434 4.623 4.340 -0.253 0.000 0.275 123 L C 0.903 177.794 176.870 0.034 0.000 1.036 123 L CA -0.776 54.086 54.840 0.036 0.000 0.807 123 L CB 1.445 43.515 42.059 0.017 0.000 1.231 123 L HN 0.298 nan 8.230 nan 0.000 0.438 124 E N 3.465 123.684 120.200 0.032 0.000 2.324 124 E HA 0.149 4.348 4.350 -0.253 0.000 0.271 124 E C -2.213 174.405 176.600 0.030 0.000 1.028 124 E CA -1.684 54.733 56.400 0.030 0.000 0.890 124 E CB 0.937 30.652 29.700 0.026 0.000 1.004 124 E HN 0.254 nan 8.360 nan 0.000 0.431 125 P HA -0.056 nan 4.420 nan 0.000 0.265 125 P C -0.687 176.626 177.300 0.022 0.000 1.187 125 P CA 0.390 63.506 63.100 0.026 0.000 0.766 125 P CB 0.365 32.078 31.700 0.022 0.000 0.820 126 N N -1.392 117.320 118.700 0.020 0.000 2.732 126 N HA -0.210 4.378 4.740 -0.253 0.000 0.250 126 N C -0.079 175.445 175.510 0.023 0.000 1.097 126 N CA 1.362 54.424 53.050 0.020 0.000 0.812 126 N CB -2.315 36.182 38.487 0.016 0.000 1.148 126 N HN 0.430 nan 8.380 nan 0.000 0.572 127 S N -0.084 115.632 115.700 0.027 0.000 2.510 127 S HA 0.266 4.584 4.470 -0.253 0.000 0.279 127 S C 1.876 176.496 174.600 0.033 0.000 1.284 127 S CA 0.229 58.445 58.200 0.027 0.000 1.059 127 S CB 0.724 63.940 63.200 0.027 0.000 0.901 127 S HN 0.416 nan 8.310 nan 0.000 0.491 128 T N 3.457 118.029 114.554 0.030 0.000 2.736 128 T HA -0.222 3.977 4.350 -0.253 0.000 0.265 128 T C 1.924 176.655 174.700 0.051 0.000 1.031 128 T CA 2.093 64.216 62.100 0.039 0.000 1.155 128 T CB -1.504 67.384 68.868 0.035 0.000 0.849 128 T HN 0.829 nan 8.240 nan 0.000 0.471 129 G N 1.403 110.228 108.800 0.041 0.000 2.421 129 G HA2 0.078 3.886 3.960 -0.253 0.000 0.216 129 G HA3 0.078 3.886 3.960 -0.253 0.000 0.216 129 G C 1.936 176.857 174.900 0.036 0.000 1.171 129 G CA 0.967 46.089 45.100 0.037 0.000 0.775 129 G HN 0.898 nan 8.290 nan 0.000 0.543 130 A N 0.018 122.862 122.820 0.039 0.000 2.172 130 A HA 0.137 4.305 4.320 -0.253 0.000 0.216 130 A C 2.243 179.880 177.584 0.088 0.000 1.154 130 A CA 1.677 53.742 52.037 0.047 0.000 0.701 130 A CB -0.179 18.849 19.000 0.046 0.000 0.789 130 A HN 0.417 nan 8.150 nan 0.000 0.465 131 K N -0.457 120.001 120.400 0.095 0.000 2.044 131 K HA -0.023 4.145 4.320 -0.253 0.000 0.204 131 K C 1.809 178.537 176.600 0.214 0.000 1.045 131 K CA 1.089 57.458 56.287 0.137 0.000 0.951 131 K CB -0.148 32.405 32.500 0.087 0.000 0.738 131 K HN 0.508 nan 8.250 nan 0.000 0.443 132 E N 1.064 121.371 120.200 0.178 0.000 2.147 132 E HA -0.209 3.989 4.350 -0.253 0.000 0.199 132 E C 1.749 178.444 176.600 0.159 0.000 1.005 132 E CA 0.847 57.382 56.400 0.225 0.000 0.810 132 E CB -0.003 29.771 29.700 0.124 0.000 0.736 132 E HN 0.148 nan 8.360 nan 0.000 0.460 133 L N 0.498 121.770 121.223 0.081 0.000 2.492 133 L HA 0.057 4.245 4.340 -0.253 0.000 0.223 133 L C 1.898 178.829 176.870 0.102 0.000 1.132 133 L CA 0.951 55.790 54.840 -0.001 0.000 0.850 133 L CB -0.958 41.043 42.059 -0.097 0.000 0.966 133 L HN 0.077 nan 8.230 nan 0.000 0.454 134 G N 0.947 109.885 108.800 0.229 0.000 2.587 134 G HA2 -0.353 3.456 3.960 -0.253 0.000 0.217 134 G HA3 -0.353 3.456 3.960 -0.253 0.000 0.217 134 G C 1.471 176.633 174.900 0.436 0.000 1.240 134 G CA 1.112 46.445 45.100 0.388 0.000 0.794 134 G HN 0.408 nan 8.290 nan 0.000 0.580 135 L N 1.451 122.859 121.223 0.308 0.000 2.083 135 L HA 0.181 4.369 4.340 -0.253 0.000 0.209 135 L C 3.055 179.925 176.870 0.000 0.000 1.083 135 L CA 2.085 57.014 54.840 0.149 0.000 0.752 135 L CB -0.751 41.190 42.059 -0.197 0.000 0.899 135 L HN 0.274 nan 8.230 nan 0.000 0.433 136 A N -1.165 121.582 122.820 -0.122 0.000 1.948 136 A HA -0.317 3.851 4.320 -0.253 0.000 0.220 136 A C 2.271 179.792 177.584 -0.104 0.000 1.177 136 A CA 2.179 54.102 52.037 -0.190 0.000 0.636 136 A CB -1.259 17.614 19.000 -0.211 0.000 0.815 136 A HN 0.626 nan 8.150 nan 0.000 0.449 137 Y N 0.238 120.502 120.300 -0.060 0.000 2.314 137 Y HA -0.137 4.260 4.550 -0.255 0.000 0.293 137 Y C 2.954 178.962 175.900 0.181 0.000 1.129 137 Y CA 1.383 59.395 58.100 -0.147 0.000 1.201 137 Y CB 0.049 38.173 38.460 -0.561 0.000 0.999 137 Y HN 0.349 nan 8.280 nan 0.000 0.541 138 S N 0.303 116.367 115.700 0.607 0.000 2.343 138 S HA -0.212 4.106 4.470 -0.253 0.000 0.219 138 S C 1.935 176.720 174.600 0.310 0.000 1.033 138 S CA 1.514 60.089 58.200 0.625 0.000 1.014 138 S CB -0.647 62.954 63.200 0.669 0.000 0.915 138 S HN 0.382 nan 8.310 nan 0.000 0.435 139 L N 0.151 121.405 121.223 0.051 0.000 2.261 139 L HA -0.139 4.049 4.340 -0.253 0.000 0.216 139 L C 2.128 179.077 176.870 0.132 0.000 1.114 139 L CA 1.111 55.872 54.840 -0.132 0.000 0.777 139 L CB -0.478 41.189 42.059 -0.654 0.000 0.910 139 L HN 0.290 nan 8.230 nan 0.000 0.440 140 F N -0.277 119.607 119.950 -0.110 0.000 2.149 140 F HA -0.150 4.227 4.527 -0.250 0.000 0.294 140 F C 2.677 178.394 175.800 -0.140 0.000 1.095 140 F CA 1.409 59.292 58.000 -0.194 0.000 1.276 140 F CB -0.144 38.545 39.000 -0.518 0.000 1.023 140 F HN 0.063 nan 8.300 nan 0.000 0.480 141 H N -1.821 117.296 119.070 0.079 0.000 2.524 141 H HA -0.036 4.368 4.556 -0.254 0.000 0.282 141 H C -0.035 174.739 175.328 -0.923 0.000 1.016 141 H CA 1.141 56.993 56.048 -0.328 0.000 1.270 141 H CB -0.412 29.174 29.762 -0.292 0.000 1.394 141 H HN 0.439 nan 8.280 nan 0.000 0.568 142 W N 0.292 121.528 121.300 -0.106 0.000 1.408 142 W HA 0.502 5.006 4.660 -0.260 0.000 0.292 142 W C 0.850 177.329 176.519 -0.067 0.000 0.873 142 W CA -0.601 56.591 57.345 -0.255 0.000 2.325 142 W CB -0.151 28.864 29.460 -0.741 0.000 1.280 142 W HN -0.054 nan 8.180 nan 0.000 0.508 143 G N 1.361 110.220 108.800 0.098 0.000 2.543 143 G HA2 0.380 4.189 3.960 -0.253 0.000 0.267 143 G HA3 0.380 4.189 3.960 -0.253 0.000 0.267 143 G C -1.550 173.300 174.900 -0.083 0.000 1.406 143 G CA -0.893 44.374 45.100 0.278 0.000 1.048 143 G HN -0.217 nan 8.290 nan 0.000 0.548 144 P HA -0.028 nan 4.420 nan 0.000 0.216 144 P C 2.219 179.347 177.300 -0.287 0.000 1.153 144 P CA 0.379 63.360 63.100 -0.198 0.000 0.844 144 P CB 0.114 31.634 31.700 -0.300 0.000 0.787 145 L N -0.360 120.648 121.223 -0.358 0.000 2.064 145 L HA -0.170 4.018 4.340 -0.253 0.000 0.216 145 L C -0.658 175.827 176.870 -0.641 0.000 1.077 145 L CA 2.660 57.219 54.840 -0.469 0.000 0.766 145 L CB -1.624 40.145 42.059 -0.484 0.000 0.890 145 L HN 0.085 nan 8.230 nan 0.000 0.435 146 P HA -0.118 nan 4.420 nan 0.000 0.217 146 P C 0.978 177.566 177.300 -1.187 0.000 1.154 146 P CA 1.247 63.487 63.100 -1.432 0.000 0.841 146 P CB -0.132 30.301 31.700 -2.113 0.000 0.790 147 W N 0.599 121.524 121.300 -0.625 0.000 2.338 147 W HA -0.144 4.330 4.660 -0.309 0.000 0.304 147 W C 2.582 178.976 176.519 -0.209 0.000 1.212 147 W CA 0.779 57.937 57.345 -0.312 0.000 1.264 147 W CB -1.040 28.329 29.460 -0.151 0.000 1.142 147 W HN -0.115 nan 8.180 nan 0.000 0.512 148 A N 0.481 123.260 122.820 -0.068 0.000 1.997 148 A HA -0.321 3.847 4.320 -0.253 0.000 0.221 148 A C 1.863 179.514 177.584 0.112 0.000 1.172 148 A CA 2.757 54.728 52.037 -0.110 0.000 0.645 148 A CB -1.593 17.073 19.000 -0.556 0.000 0.813 148 A HN 0.396 nan 8.150 nan 0.000 0.454 149 T N -4.348 110.179 114.554 -0.045 0.000 2.962 149 T HA -0.127 4.071 4.350 -0.253 0.000 0.270 149 T C 1.705 176.625 174.700 0.368 0.000 1.088 149 T CA 1.301 63.434 62.100 0.056 0.000 1.127 149 T CB -0.443 68.334 68.868 -0.153 0.000 0.883 149 T HN 0.412 nan 8.240 nan 0.000 0.493 150 Y N 2.584 123.025 120.300 0.234 0.000 2.337 150 Y HA 0.048 4.433 4.550 -0.274 0.000 0.293 150 Y C 3.119 179.191 175.900 0.288 0.000 1.123 150 Y CA -0.118 58.166 58.100 0.307 0.000 1.201 150 Y CB -1.052 37.652 38.460 0.407 0.000 1.011 150 Y HN 0.474 nan 8.280 nan 0.000 0.545 151 S N -0.035 115.953 115.700 0.480 0.000 2.389 151 S HA -0.327 3.992 4.470 -0.253 0.000 0.231 151 S C 2.058 176.810 174.600 0.253 0.000 1.052 151 S CA 1.577 59.992 58.200 0.357 0.000 1.053 151 S CB -1.372 62.089 63.200 0.434 0.000 0.886 151 S HN 0.317 nan 8.310 nan 0.000 0.456 152 F N 1.928 121.971 119.950 0.154 0.000 2.134 152 F HA 0.104 4.478 4.527 -0.255 0.000 0.299 152 F C 2.203 177.960 175.800 -0.072 0.000 1.097 152 F CA 1.368 59.395 58.000 0.046 0.000 1.264 152 F CB -0.283 38.755 39.000 0.064 0.000 1.001 152 F HN 0.178 nan 8.300 nan 0.000 0.479 153 L N -1.543 119.768 121.223 0.146 0.000 2.156 153 L HA -0.161 4.028 4.340 -0.253 0.000 0.208 153 L C 2.447 179.374 176.870 0.095 0.000 1.095 153 L CA 0.968 55.853 54.840 0.076 0.000 0.770 153 L CB -0.757 41.445 42.059 0.238 0.000 0.914 153 L HN 0.011 nan 8.230 nan 0.000 0.439 154 S N -0.461 115.320 115.700 0.135 0.000 2.399 154 S HA -0.140 4.179 4.470 -0.253 0.000 0.231 154 S C 1.960 176.589 174.600 0.050 0.000 1.022 154 S CA 0.971 59.267 58.200 0.160 0.000 0.983 154 S CB -0.015 63.315 63.200 0.216 0.000 0.803 154 S HN 0.165 nan 8.310 nan 0.000 0.480 155 V N 1.350 121.184 119.914 -0.133 0.000 2.407 155 V HA -0.057 3.912 4.120 -0.253 0.000 0.245 155 V C 2.524 178.252 176.094 -0.611 0.000 1.041 155 V CA 1.429 63.574 62.300 -0.258 0.000 1.040 155 V CB -0.940 30.713 31.823 -0.283 0.000 0.671 155 V HN 0.508 nan 8.190 nan 0.000 0.455 156 A N -0.476 121.678 122.820 -1.110 0.000 1.902 156 A HA -0.194 3.974 4.320 -0.253 0.000 0.217 156 A C 2.012 179.019 177.584 -0.962 0.000 1.181 156 A CA 1.819 52.912 52.037 -1.572 0.000 0.623 156 A CB -0.689 17.425 19.000 -1.475 0.000 0.818 156 A HN 0.468 nan 8.150 nan 0.000 0.443 157 F N 0.030 119.699 119.950 -0.469 0.000 2.259 157 F HA 0.015 4.397 4.527 -0.242 0.000 0.298 157 F C 2.725 178.310 175.800 -0.358 0.000 1.088 157 F CA 0.689 58.454 58.000 -0.392 0.000 1.358 157 F CB -0.447 38.407 39.000 -0.243 0.000 1.040 157 F HN 0.262 nan 8.300 nan 0.000 0.505 158 A N -0.405 122.422 122.820 0.012 0.000 1.865 158 A HA -0.299 3.869 4.320 -0.253 0.000 0.217 158 A C 2.099 179.660 177.584 -0.037 0.000 1.191 158 A CA 1.961 54.045 52.037 0.079 0.000 0.623 158 A CB -1.589 17.538 19.000 0.213 0.000 0.826 158 A HN 0.504 nan 8.150 nan 0.000 0.444 159 Y N -0.495 119.665 120.300 -0.234 0.000 2.145 159 Y HA -0.228 4.169 4.550 -0.255 0.000 0.286 159 Y C 1.987 177.742 175.900 -0.241 0.000 1.145 159 Y CA 1.890 59.795 58.100 -0.325 0.000 1.148 159 Y CB -0.539 37.661 38.460 -0.434 0.000 0.981 159 Y HN 0.241 nan 8.280 nan 0.000 0.507 160 F N -0.337 119.529 119.950 -0.139 0.000 2.091 160 F HA -0.244 4.130 4.527 -0.255 0.000 0.299 160 F C 2.181 177.792 175.800 -0.315 0.000 1.103 160 F CA 1.304 59.130 58.000 -0.290 0.000 1.228 160 F CB -1.604 37.187 39.000 -0.347 0.000 0.984 160 F HN 0.097 nan 8.300 nan 0.000 0.477 161 F N -1.164 118.674 119.950 -0.186 0.000 2.134 161 F HA -0.187 4.185 4.527 -0.258 0.000 0.299 161 F C 2.076 177.602 175.800 -0.457 0.000 1.097 161 F CA 1.294 59.006 58.000 -0.480 0.000 1.264 161 F CB -1.045 37.357 39.000 -0.997 0.000 1.001 161 F HN -0.102 nan 8.300 nan 0.000 0.479 162 F N -2.657 117.377 119.950 0.139 0.000 2.577 162 F HA 0.183 4.556 4.527 -0.256 0.000 0.276 162 F C 1.997 177.726 175.800 -0.119 0.000 1.032 162 F CA -0.029 57.986 58.000 0.025 0.000 1.297 162 F CB -1.222 37.810 39.000 0.053 0.000 1.061 162 F HN -0.416 nan 8.300 nan 0.000 0.680 163 V N 0.992 120.803 119.914 -0.172 0.000 3.041 163 V HA -0.050 3.918 4.120 -0.253 0.000 0.260 163 V C 1.615 177.409 176.094 -0.500 0.000 1.105 163 V CA 1.298 63.337 62.300 -0.433 0.000 1.125 163 V CB -0.524 30.764 31.823 -0.890 0.000 0.730 163 V HN 0.264 nan 8.190 nan 0.000 0.479 164 R N -0.714 119.527 120.500 -0.432 0.000 2.535 164 R HA 0.229 4.418 4.340 -0.253 0.000 0.323 164 R C 0.447 176.686 176.300 -0.102 0.000 0.979 164 R CA -0.357 55.579 56.100 -0.274 0.000 1.120 164 R CB 0.011 30.153 30.300 -0.263 0.000 1.306 164 R HN 0.370 nan 8.270 nan 0.000 0.540 165 K N 1.567 121.943 120.400 -0.039 0.000 3.196 165 K HA -0.196 3.973 4.320 -0.253 0.000 0.261 165 K C -0.058 176.569 176.600 0.045 0.000 0.872 165 K CA 0.756 57.070 56.287 0.046 0.000 0.645 165 K CB -1.130 31.399 32.500 0.048 0.000 1.433 165 K HN 0.272 nan 8.250 nan 0.000 0.471 166 M N 0.505 120.125 119.600 0.034 0.000 2.255 166 M HA 0.119 4.447 4.480 -0.253 0.000 0.336 166 M C 0.540 176.908 176.300 0.113 0.000 1.135 166 M CA 0.055 55.368 55.300 0.021 0.000 1.145 166 M CB 0.956 33.511 32.600 -0.076 0.000 1.473 166 M HN 0.106 nan 8.290 nan 0.000 0.462 167 E N 1.619 121.869 120.200 0.083 0.000 2.197 167 E HA 0.502 4.700 4.350 -0.253 0.000 0.281 167 E C -1.793 174.885 176.600 0.130 0.000 0.995 167 E CA -0.519 55.966 56.400 0.142 0.000 0.808 167 E CB 1.419 31.171 29.700 0.087 0.000 1.093 167 E HN 0.453 nan 8.360 nan 0.000 0.394 168 V N 6.964 127.029 119.914 0.251 0.000 2.567 168 V HA 0.214 4.182 4.120 -0.253 0.000 0.298 168 V C 0.383 176.611 176.094 0.223 0.000 1.047 168 V CA -0.308 62.108 62.300 0.194 0.000 0.880 168 V CB 1.461 33.366 31.823 0.136 0.000 1.009 168 V HN 0.704 nan 8.190 nan 0.000 0.429 169 I N 2.660 123.300 120.570 0.118 0.000 3.812 169 I HA 0.428 4.446 4.170 -0.253 0.000 0.292 169 I C 0.803 176.929 176.117 0.015 0.000 1.206 169 I CA -0.124 61.226 61.300 0.084 0.000 1.370 169 I CB 0.314 38.349 38.000 0.058 0.000 1.328 169 I HN 0.386 nan 8.210 nan 0.000 0.453 170 R N 0.810 121.303 120.500 -0.011 0.000 2.854 170 R HA 0.400 4.588 4.340 -0.253 0.000 0.271 170 R C -2.095 174.171 176.300 -0.058 0.000 0.994 170 R CA -1.600 54.443 56.100 -0.095 0.000 0.945 170 R CB 1.288 31.538 30.300 -0.083 0.000 1.194 170 R HN -0.290 nan 8.270 nan 0.000 0.476 171 P HA -0.255 nan 4.420 nan 0.000 0.217 171 P C 0.877 178.200 177.300 0.039 0.000 1.151 171 P CA 1.651 64.752 63.100 0.002 0.000 0.849 171 P CB 0.207 31.887 31.700 -0.032 0.000 0.787 172 S N -0.582 115.129 115.700 0.020 0.000 2.383 172 S HA -0.143 4.175 4.470 -0.253 0.000 0.227 172 S C 2.025 176.632 174.600 0.011 0.000 1.026 172 S CA 1.411 59.638 58.200 0.046 0.000 0.981 172 S CB -1.738 61.493 63.200 0.053 0.000 0.818 172 S HN 0.274 nan 8.310 nan 0.000 0.472 173 S N 1.917 117.607 115.700 -0.016 0.000 2.584 173 S HA -0.087 4.231 4.470 -0.253 0.000 0.240 173 S C 1.639 176.140 174.600 -0.165 0.000 0.975 173 S CA 1.197 59.364 58.200 -0.055 0.000 0.949 173 S CB -1.192 61.992 63.200 -0.028 0.000 0.761 173 S HN 0.845 nan 8.310 nan 0.000 0.536 174 T N -1.674 112.760 114.554 -0.200 0.000 3.001 174 T HA 0.367 4.566 4.350 -0.253 0.000 0.251 174 T C 1.404 175.934 174.700 -0.284 0.000 1.040 174 T CA -0.217 61.598 62.100 -0.474 0.000 0.985 174 T CB -0.355 68.222 68.868 -0.484 0.000 1.011 174 T HN 0.369 nan 8.240 nan 0.000 0.509 175 L N 1.062 122.237 121.223 -0.079 0.000 2.418 175 L HA 0.134 4.322 4.340 -0.253 0.000 0.218 175 L C 2.514 179.402 176.870 0.030 0.000 1.125 175 L CA 0.045 54.907 54.840 0.035 0.000 0.835 175 L CB -0.367 41.775 42.059 0.137 0.000 0.953 175 L HN 0.115 nan 8.230 nan 0.000 0.454 176 V N 0.995 120.899 119.914 -0.016 0.000 2.277 176 V HA -0.279 3.689 4.120 -0.253 0.000 0.255 176 V C -0.215 175.886 176.094 0.011 0.000 1.074 176 V CA 2.409 64.707 62.300 -0.002 0.000 1.058 176 V CB -1.692 30.108 31.823 -0.038 0.000 0.656 176 V HN 0.407 nan 8.190 nan 0.000 0.449 177 P HA -0.069 nan 4.420 nan 0.000 0.219 177 P C 1.800 179.125 177.300 0.042 0.000 1.150 177 P CA 0.960 64.079 63.100 0.033 0.000 0.814 177 P CB -0.019 31.717 31.700 0.060 0.000 0.787 178 L N -0.315 120.940 121.223 0.054 0.000 2.209 178 L HA 0.006 4.194 4.340 -0.253 0.000 0.207 178 L C 1.743 178.622 176.870 0.015 0.000 1.094 178 L CA 1.405 56.276 54.840 0.052 0.000 0.790 178 L CB -0.280 41.832 42.059 0.088 0.000 0.932 178 L HN -0.068 nan 8.230 nan 0.000 0.447 179 V N -3.530 116.391 119.914 0.012 0.000 3.411 179 V HA 0.643 4.612 4.120 -0.253 0.000 0.287 179 V C 0.539 176.646 176.094 0.021 0.000 1.543 179 V CA 0.268 62.539 62.300 -0.047 0.000 1.028 179 V CB -0.209 31.539 31.823 -0.125 0.000 0.840 179 V HN 0.501 nan 8.190 nan 0.000 0.435 180 G N 1.250 110.072 108.800 0.037 0.000 3.209 180 G HA2 -0.169 3.639 3.960 -0.253 0.000 0.686 180 G HA3 -0.169 3.639 3.960 -0.253 0.000 0.686 180 G C 0.101 175.027 174.900 0.043 0.000 1.065 180 G CA 0.256 45.379 45.100 0.039 0.000 0.812 180 G HN 0.611 nan 8.290 nan 0.000 0.573 181 E N 1.367 121.580 120.200 0.021 0.000 2.208 181 E HA -0.286 3.913 4.350 -0.253 0.000 0.202 181 E C 2.839 179.450 176.600 0.019 0.000 1.014 181 E CA 2.945 59.355 56.400 0.017 0.000 0.819 181 E CB -0.144 29.558 29.700 0.003 0.000 0.735 181 E HN 1.050 nan 8.360 nan 0.000 0.469 182 K N 0.303 120.700 120.400 -0.004 0.000 1.987 182 K HA -0.248 3.921 4.320 -0.253 0.000 0.216 182 K C 1.823 178.396 176.600 -0.044 0.000 1.051 182 K CA 2.131 58.385 56.287 -0.055 0.000 0.942 182 K CB -1.471 30.955 32.500 -0.124 0.000 0.722 182 K HN 0.480 nan 8.250 nan 0.000 0.444 183 H N -0.878 118.196 119.070 0.005 0.000 2.428 183 H HA 0.273 4.677 4.556 -0.253 0.000 0.296 183 H C 2.547 177.965 175.328 0.150 0.000 1.062 183 H CA 1.055 57.125 56.048 0.036 0.000 1.350 183 H CB 0.188 29.876 29.762 -0.123 0.000 1.403 183 H HN 0.595 nan 8.280 nan 0.000 0.533 184 A N 1.049 124.012 122.820 0.239 0.000 1.872 184 A HA -0.129 4.040 4.320 -0.253 0.000 0.214 184 A C 2.061 179.729 177.584 0.141 0.000 1.187 184 A CA 1.146 53.307 52.037 0.208 0.000 0.614 184 A CB -0.048 19.027 19.000 0.126 0.000 0.826 184 A HN 0.163 nan 8.150 nan 0.000 0.442 185 K N 0.190 120.646 120.400 0.093 0.000 2.097 185 K HA -0.062 4.107 4.320 -0.253 0.000 0.206 185 K C 1.543 178.190 176.600 0.078 0.000 1.049 185 K CA 0.846 57.172 56.287 0.065 0.000 0.933 185 K CB -0.923 31.600 32.500 0.037 0.000 0.717 185 K HN 0.448 nan 8.250 nan 0.000 0.442 186 G N 1.554 110.414 108.800 0.099 0.000 2.441 186 G HA2 0.046 3.855 3.960 -0.253 0.000 0.258 186 G HA3 0.046 3.855 3.960 -0.253 0.000 0.258 186 G C 1.257 176.243 174.900 0.143 0.000 1.487 186 G CA 0.137 45.301 45.100 0.107 0.000 1.058 186 G HN 0.289 nan 8.290 nan 0.000 0.552 187 L N -2.978 118.345 121.223 0.167 0.000 2.249 187 L HA 0.331 4.519 4.340 -0.253 0.000 0.207 187 L C 2.525 179.506 176.870 0.185 0.000 1.090 187 L CA 0.775 55.703 54.840 0.146 0.000 0.802 187 L CB -0.504 41.627 42.059 0.120 0.000 0.947 187 L HN 0.366 nan 8.230 nan 0.000 0.453 188 F N 2.717 122.749 119.950 0.136 0.000 2.063 188 F HA -0.183 4.193 4.527 -0.252 0.000 0.298 188 F C 2.256 178.116 175.800 0.100 0.000 1.109 188 F CA 2.121 60.192 58.000 0.117 0.000 1.212 188 F CB -0.685 38.390 39.000 0.126 0.000 0.973 188 F HN 0.127 nan 8.300 nan 0.000 0.480 189 G N -1.833 107.103 108.800 0.227 0.000 2.484 189 G HA2 -0.148 3.660 3.960 -0.253 0.000 0.218 189 G HA3 -0.148 3.660 3.960 -0.253 0.000 0.218 189 G C 1.542 176.460 174.900 0.029 0.000 1.130 189 G CA 1.140 46.302 45.100 0.103 0.000 0.784 189 G HN 0.427 nan 8.290 nan 0.000 0.543 190 T N 1.310 115.891 114.554 0.044 0.000 2.896 190 T HA 0.026 4.225 4.350 -0.253 0.000 0.263 190 T C 2.397 177.084 174.700 -0.022 0.000 1.050 190 T CA 0.696 62.811 62.100 0.025 0.000 1.140 190 T CB -0.070 68.827 68.868 0.048 0.000 0.877 190 T HN 0.295 nan 8.240 nan 0.000 0.457 191 I N 0.992 121.527 120.570 -0.059 0.000 2.202 191 I HA -0.130 3.888 4.170 -0.253 0.000 0.242 191 I C 2.468 178.549 176.117 -0.060 0.000 1.091 191 I CA 0.784 62.011 61.300 -0.122 0.000 1.368 191 I CB -0.762 37.170 38.000 -0.114 0.000 1.058 191 I HN 0.040 nan 8.210 nan 0.000 0.410 192 V N 1.225 121.091 119.914 -0.081 0.000 2.252 192 V HA -0.322 3.646 4.120 -0.253 0.000 0.249 192 V C 1.982 178.149 176.094 0.121 0.000 1.056 192 V CA 2.281 64.589 62.300 0.013 0.000 1.022 192 V CB -0.717 31.035 31.823 -0.118 0.000 0.641 192 V HN 0.406 nan 8.190 nan 0.000 0.445 193 D N -0.401 120.032 120.400 0.055 0.000 2.310 193 D HA -0.089 4.399 4.640 -0.253 0.000 0.212 193 D C 1.993 178.347 176.300 0.090 0.000 0.965 193 D CA 0.632 54.667 54.000 0.059 0.000 0.879 193 D CB -0.259 40.544 40.800 0.005 0.000 0.921 193 D HN 0.408 nan 8.370 nan 0.000 0.510 194 N N -0.372 118.354 118.700 0.044 0.000 2.258 194 N HA -0.001 4.587 4.740 -0.253 0.000 0.183 194 N C 1.769 177.299 175.510 0.032 0.000 1.029 194 N CA 0.303 53.346 53.050 -0.012 0.000 0.857 194 N CB -0.493 37.923 38.487 -0.119 0.000 1.008 194 N HN 0.190 nan 8.380 nan 0.000 0.433 195 F N 0.779 120.760 119.950 0.052 0.000 2.087 195 F HA -0.310 4.064 4.527 -0.255 0.000 0.299 195 F C 2.428 178.265 175.800 0.061 0.000 1.100 195 F CA 1.207 59.239 58.000 0.052 0.000 1.226 195 F CB -0.350 38.677 39.000 0.045 0.000 0.983 195 F HN 0.089 nan 8.300 nan 0.000 0.479 196 Y N 0.858 121.279 120.300 0.202 0.000 2.030 196 Y HA -0.308 4.087 4.550 -0.258 0.000 0.274 196 Y C 2.193 178.113 175.900 0.034 0.000 1.153 196 Y CA 1.765 59.931 58.100 0.109 0.000 1.115 196 Y CB -0.893 37.615 38.460 0.080 0.000 0.969 196 Y HN -0.052 nan 8.280 nan 0.000 0.488 197 L N -0.943 120.481 121.223 0.335 0.000 1.956 197 L HA -0.325 3.863 4.340 -0.253 0.000 0.216 197 L C 2.417 179.233 176.870 -0.090 0.000 1.073 197 L CA 1.945 56.853 54.840 0.114 0.000 0.762 197 L CB -1.002 41.045 42.059 -0.019 0.000 0.889 197 L HN 0.179 nan 8.230 nan 0.000 0.433 198 V N 0.015 119.873 119.914 -0.095 0.000 2.250 198 V HA -0.418 3.550 4.120 -0.253 0.000 0.253 198 V C 2.703 178.640 176.094 -0.261 0.000 1.065 198 V CA 2.116 64.285 62.300 -0.218 0.000 1.039 198 V CB -1.376 30.406 31.823 -0.068 0.000 0.647 198 V HN 0.584 nan 8.190 nan 0.000 0.446 199 A N 0.015 122.815 122.820 -0.033 0.000 1.865 199 A HA -0.235 3.933 4.320 -0.253 0.000 0.217 199 A C 2.200 179.736 177.584 -0.080 0.000 1.191 199 A CA 2.328 54.387 52.037 0.037 0.000 0.623 199 A CB -0.716 18.279 19.000 -0.009 0.000 0.826 199 A HN 0.491 nan 8.150 nan 0.000 0.444 200 L N 0.451 121.549 121.223 -0.208 0.000 2.079 200 L HA -0.174 4.015 4.340 -0.253 0.000 0.210 200 L C 2.170 178.953 176.870 -0.145 0.000 1.081 200 L CA 1.763 56.475 54.840 -0.213 0.000 0.752 200 L CB -0.570 41.376 42.059 -0.188 0.000 0.896 200 L HN 0.459 nan 8.230 nan 0.000 0.433 201 I N -1.113 119.332 120.570 -0.210 0.000 2.076 201 I HA -0.304 3.715 4.170 -0.253 0.000 0.237 201 I C 2.546 178.605 176.117 -0.097 0.000 1.059 201 I CA 1.569 62.742 61.300 -0.213 0.000 1.317 201 I CB -1.935 35.858 38.000 -0.345 0.000 1.037 201 I HN 0.122 nan 8.210 nan 0.000 0.398 202 F N 1.769 121.712 119.950 -0.011 0.000 2.085 202 F HA -0.278 4.095 4.527 -0.256 0.000 0.299 202 F C 2.869 178.658 175.800 -0.018 0.000 1.096 202 F CA 1.609 59.602 58.000 -0.012 0.000 1.227 202 F CB -1.566 37.417 39.000 -0.028 0.000 0.983 202 F HN 0.114 nan 8.300 nan 0.000 0.482 203 A N 0.009 122.912 122.820 0.138 0.000 1.859 203 A HA -0.272 3.896 4.320 -0.253 0.000 0.217 203 A C 2.324 180.046 177.584 0.229 0.000 1.198 203 A CA 2.207 54.298 52.037 0.090 0.000 0.629 203 A CB -0.963 17.971 19.000 -0.109 0.000 0.830 203 A HN 0.385 nan 8.150 nan 0.000 0.446 204 M N -0.720 118.976 119.600 0.161 0.000 2.108 204 M HA -0.191 4.138 4.480 -0.253 0.000 0.257 204 M C 2.250 178.664 176.300 0.190 0.000 1.071 204 M CA 1.613 57.034 55.300 0.202 0.000 1.093 204 M CB -0.712 31.956 32.600 0.114 0.000 1.345 204 M HN 0.572 nan 8.290 nan 0.000 0.403 205 G N -0.199 108.699 108.800 0.164 0.000 2.424 205 G HA2 -0.231 3.577 3.960 -0.253 0.000 0.214 205 G HA3 -0.231 3.577 3.960 -0.253 0.000 0.214 205 G C 1.494 176.485 174.900 0.152 0.000 1.202 205 G CA 1.477 46.670 45.100 0.155 0.000 0.793 205 G HN 0.512 nan 8.290 nan 0.000 0.534 206 T N 0.656 115.298 114.554 0.147 0.000 2.778 206 T HA -0.209 3.989 4.350 -0.253 0.000 0.269 206 T C 2.527 177.345 174.700 0.198 0.000 1.050 206 T CA 2.493 64.655 62.100 0.103 0.000 1.137 206 T CB -0.595 68.270 68.868 -0.005 0.000 0.860 206 T HN 0.408 nan 8.240 nan 0.000 0.468 207 S N 1.808 117.707 115.700 0.332 0.000 2.368 207 S HA -0.000 4.318 4.470 -0.253 0.000 0.224 207 S C 1.967 176.676 174.600 0.181 0.000 1.029 207 S CA 0.972 59.408 58.200 0.394 0.000 0.988 207 S CB -0.933 62.536 63.200 0.449 0.000 0.838 207 S HN 0.396 nan 8.310 nan 0.000 0.462 208 L N 2.977 124.285 121.223 0.142 0.000 2.079 208 L HA 0.147 4.335 4.340 -0.253 0.000 0.210 208 L C 2.366 179.283 176.870 0.079 0.000 1.081 208 L CA 1.894 56.786 54.840 0.087 0.000 0.752 208 L CB -1.391 40.726 42.059 0.097 0.000 0.896 208 L HN 0.408 nan 8.230 nan 0.000 0.433 209 G N -0.965 107.875 108.800 0.067 0.000 2.471 209 G HA2 -0.173 3.635 3.960 -0.253 0.000 0.219 209 G HA3 -0.173 3.635 3.960 -0.253 0.000 0.219 209 G C 1.574 176.430 174.900 -0.073 0.000 1.125 209 G CA 0.853 45.965 45.100 0.020 0.000 0.775 209 G HN 0.434 nan 8.290 nan 0.000 0.548 210 L N 0.102 121.247 121.223 -0.130 0.000 2.127 210 L HA 0.113 4.302 4.340 -0.253 0.000 0.203 210 L C 3.336 180.066 176.870 -0.232 0.000 1.080 210 L CA 0.772 55.360 54.840 -0.420 0.000 0.768 210 L CB -0.312 41.456 42.059 -0.486 0.000 0.924 210 L HN 0.285 nan 8.230 nan 0.000 0.444 211 A N -0.091 122.699 122.820 -0.050 0.000 1.877 211 A HA -0.204 3.965 4.320 -0.253 0.000 0.216 211 A C 2.322 179.990 177.584 0.140 0.000 1.186 211 A CA 2.369 54.435 52.037 0.048 0.000 0.620 211 A CB -0.950 18.063 19.000 0.022 0.000 0.822 211 A HN 0.363 nan 8.150 nan 0.000 0.443 212 T N 0.752 115.400 114.554 0.156 0.000 2.580 212 T HA -0.109 4.089 4.350 -0.253 0.000 0.265 212 T C -0.207 174.634 174.700 0.235 0.000 1.063 212 T CA 2.067 64.314 62.100 0.245 0.000 1.170 212 T CB -1.380 67.608 68.868 0.200 0.000 0.863 212 T HN 0.405 nan 8.240 nan 0.000 0.418 213 P HA 0.057 nan 4.420 nan 0.000 0.225 213 P C 1.374 178.761 177.300 0.144 0.000 1.148 213 P CA 0.730 63.991 63.100 0.268 0.000 0.779 213 P CB -0.241 31.571 31.700 0.187 0.000 0.780 214 L N -1.350 119.973 121.223 0.166 0.000 2.072 214 L HA -0.102 4.087 4.340 -0.253 0.000 0.205 214 L C 2.245 179.270 176.870 0.259 0.000 1.079 214 L CA 1.269 56.224 54.840 0.192 0.000 0.752 214 L CB -0.949 41.282 42.059 0.287 0.000 0.906 214 L HN -0.101 nan 8.230 nan 0.000 0.436 215 V N -0.629 119.480 119.914 0.326 0.000 2.358 215 V HA -0.232 3.737 4.120 -0.253 0.000 0.246 215 V C 2.606 178.827 176.094 0.213 0.000 1.047 215 V CA 2.277 64.829 62.300 0.421 0.000 1.035 215 V CB -1.386 30.797 31.823 0.600 0.000 0.658 215 V HN 0.607 nan 8.190 nan 0.000 0.452 216 T N -2.651 112.016 114.554 0.188 0.000 3.023 216 T HA -0.031 4.167 4.350 -0.253 0.000 0.266 216 T C 1.678 176.445 174.700 0.113 0.000 1.093 216 T CA 0.736 62.910 62.100 0.123 0.000 1.129 216 T CB -0.138 68.841 68.868 0.186 0.000 0.899 216 T HN 0.379 nan 8.240 nan 0.000 0.491 217 E N 0.328 120.573 120.200 0.074 0.000 2.216 217 E HA 0.042 4.240 4.350 -0.253 0.000 0.192 217 E C 2.221 178.787 176.600 -0.058 0.000 0.988 217 E CA 0.281 56.644 56.400 -0.062 0.000 0.834 217 E CB -0.318 29.265 29.700 -0.196 0.000 0.772 217 E HN 0.528 nan 8.360 nan 0.000 0.479 218 C N 0.455 119.706 119.300 -0.082 0.000 2.476 218 C HA -0.047 4.261 4.460 -0.253 0.000 0.278 218 C C 2.744 177.507 174.990 -0.378 0.000 1.274 218 C CA 0.468 59.389 59.018 -0.161 0.000 1.713 218 C CB -0.801 26.861 27.740 -0.129 0.000 2.039 218 C HN 0.437 nan 8.230 nan 0.000 0.484 219 M N 0.230 119.440 119.600 -0.651 0.000 2.115 219 M HA -0.302 4.026 4.480 -0.253 0.000 0.258 219 M C 2.352 178.431 176.300 -0.367 0.000 1.071 219 M CA 2.266 57.033 55.300 -0.888 0.000 1.100 219 M CB -1.223 30.902 32.600 -0.792 0.000 1.292 219 M HN 0.487 nan 8.290 nan 0.000 0.415 220 Q N -0.372 119.323 119.800 -0.175 0.000 2.242 220 Q HA -0.270 3.919 4.340 -0.253 0.000 0.211 220 Q C 1.895 177.908 176.000 0.021 0.000 0.992 220 Q CA 2.269 58.049 55.803 -0.038 0.000 0.889 220 Q CB -0.317 28.422 28.738 0.002 0.000 0.913 220 Q HN 0.662 nan 8.270 nan 0.000 0.422 221 W N 0.227 121.447 121.300 -0.132 0.000 2.441 221 W HA -0.001 4.509 4.660 -0.249 0.000 0.302 221 W C 1.647 178.132 176.519 -0.055 0.000 1.191 221 W CA 1.001 58.284 57.345 -0.104 0.000 1.327 221 W CB -0.047 29.338 29.460 -0.124 0.000 1.128 221 W HN 0.101 nan 8.180 nan 0.000 0.522 222 L N -0.733 120.683 121.223 0.323 0.000 2.072 222 L HA -0.143 4.045 4.340 -0.253 0.000 0.205 222 L C 2.099 179.024 176.870 0.091 0.000 1.079 222 L CA 1.055 56.020 54.840 0.209 0.000 0.752 222 L CB -0.800 41.362 42.059 0.172 0.000 0.906 222 L HN -0.010 nan 8.230 nan 0.000 0.436 223 F N -1.103 118.748 119.950 -0.166 0.000 2.315 223 F HA 0.321 4.697 4.527 -0.252 0.000 0.284 223 F C 1.912 177.642 175.800 -0.116 0.000 1.049 223 F CA 0.551 58.484 58.000 -0.112 0.000 1.323 223 F CB -0.779 38.169 39.000 -0.087 0.000 1.113 223 F HN 0.068 nan 8.300 nan 0.000 0.544 224 G N 0.030 108.885 108.800 0.092 0.000 2.336 224 G HA2 -0.181 3.628 3.960 -0.253 0.000 0.194 224 G HA3 -0.181 3.628 3.960 -0.253 0.000 0.194 224 G C 0.223 175.130 174.900 0.012 0.000 0.999 224 G CA -0.240 44.860 45.100 -0.000 0.000 0.669 224 G HN 0.182 nan 8.290 nan 0.000 0.482 225 I N 3.261 123.851 120.570 0.034 0.000 2.769 225 I HA 0.160 4.178 4.170 -0.253 0.000 0.285 225 I C -1.823 174.291 176.117 -0.005 0.000 1.173 225 I CA -1.172 60.130 61.300 0.004 0.000 1.389 225 I CB 0.219 38.202 38.000 -0.028 0.000 1.404 225 I HN -0.065 nan 8.210 nan 0.000 0.544 226 P HA -0.102 nan 4.420 nan 0.000 0.261 226 P C -0.364 176.961 177.300 0.043 0.000 1.183 226 P CA 0.158 63.277 63.100 0.031 0.000 0.761 226 P CB 0.182 31.897 31.700 0.024 0.000 0.785 227 H N 3.115 122.173 119.070 -0.020 0.000 3.215 227 H HA 0.245 4.649 4.556 -0.254 0.000 0.253 227 H C 0.311 175.639 175.328 0.000 0.000 1.102 227 H CA 0.205 56.243 56.048 -0.016 0.000 1.482 227 H CB -0.154 29.601 29.762 -0.012 0.000 1.542 227 H HN 0.358 nan 8.280 nan 0.000 0.498 228 T N 1.258 115.670 114.554 -0.237 0.000 2.883 228 T HA 0.172 4.370 4.350 -0.253 0.000 0.284 228 T C 0.931 175.475 174.700 -0.260 0.000 1.041 228 T CA -0.972 61.026 62.100 -0.170 0.000 1.007 228 T CB 1.124 69.945 68.868 -0.078 0.000 1.220 228 T HN 0.439 nan 8.240 nan 0.000 0.552 229 L N 0.578 121.717 121.223 -0.141 0.000 2.131 229 L HA 0.128 4.316 4.340 -0.253 0.000 0.206 229 L C 2.824 179.641 176.870 -0.089 0.000 1.087 229 L CA 1.547 56.319 54.840 -0.113 0.000 0.767 229 L CB -0.759 41.268 42.059 -0.054 0.000 0.917 229 L HN 0.748 nan 8.230 nan 0.000 0.441 230 Q N -1.110 118.648 119.800 -0.070 0.000 2.437 230 Q HA -0.163 4.025 4.340 -0.253 0.000 0.210 230 Q C 1.751 177.710 176.000 -0.067 0.000 0.972 230 Q CA 0.952 56.724 55.803 -0.052 0.000 0.903 230 Q CB -0.102 28.614 28.738 -0.037 0.000 0.967 230 Q HN 0.404 nan 8.270 nan 0.000 0.486 231 L N -0.014 121.147 121.223 -0.102 0.000 2.357 231 L HA 0.084 4.272 4.340 -0.253 0.000 0.211 231 L C 1.217 178.010 176.870 -0.129 0.000 1.075 231 L CA 1.333 56.103 54.840 -0.115 0.000 0.830 231 L CB 0.161 42.143 42.059 -0.128 0.000 0.996 231 L HN -0.120 nan 8.230 nan 0.000 0.467 232 D N 0.404 120.712 120.400 -0.154 0.000 2.178 232 D HA -0.064 4.424 4.640 -0.253 0.000 0.202 232 D C 2.110 178.381 176.300 -0.049 0.000 0.974 232 D CA 1.412 55.351 54.000 -0.102 0.000 0.841 232 D CB 0.111 40.848 40.800 -0.105 0.000 0.953 232 D HN 0.482 nan 8.370 nan 0.000 0.478 233 A N 0.316 123.107 122.820 -0.049 0.000 1.970 233 A HA 0.004 4.172 4.320 -0.253 0.000 0.216 233 A C 2.295 179.854 177.584 -0.041 0.000 1.170 233 A CA 0.208 52.232 52.037 -0.022 0.000 0.645 233 A CB -0.455 18.539 19.000 -0.010 0.000 0.816 233 A HN 0.133 nan 8.150 nan 0.000 0.447 234 I N 0.099 120.631 120.570 -0.063 0.000 2.151 234 I HA -0.309 3.709 4.170 -0.253 0.000 0.243 234 I C 2.173 178.215 176.117 -0.125 0.000 1.080 234 I CA 1.611 62.865 61.300 -0.076 0.000 1.339 234 I CB -0.182 37.768 38.000 -0.083 0.000 1.039 234 I HN 0.329 nan 8.210 nan 0.000 0.409 235 I N 0.199 120.659 120.570 -0.182 0.000 2.617 235 I HA -0.208 3.811 4.170 -0.253 0.000 0.256 235 I C 2.275 178.104 176.117 -0.481 0.000 1.167 235 I CA 1.053 62.117 61.300 -0.394 0.000 1.469 235 I CB -0.203 37.537 38.000 -0.434 0.000 1.098 235 I HN 0.189 nan 8.210 nan 0.000 0.436 236 I N 1.159 121.656 120.570 -0.122 0.000 2.567 236 I HA -0.246 3.773 4.170 -0.253 0.000 0.257 236 I C 2.692 178.866 176.117 0.095 0.000 1.184 236 I CA 1.753 63.124 61.300 0.118 0.000 1.451 236 I CB -0.604 37.486 38.000 0.150 0.000 1.089 236 I HN 0.401 nan 8.210 nan 0.000 0.441 237 T N -2.179 112.376 114.554 0.002 0.000 2.894 237 T HA -0.093 4.106 4.350 -0.253 0.000 0.258 237 T C 2.063 176.775 174.700 0.020 0.000 1.043 237 T CA 0.828 62.943 62.100 0.024 0.000 1.141 237 T CB -0.830 68.040 68.868 0.005 0.000 0.873 237 T HN 0.332 nan 8.240 nan 0.000 0.449 238 C N 0.589 119.852 119.300 -0.063 0.000 2.367 238 C HA -0.104 4.204 4.460 -0.253 0.000 0.276 238 C C 2.438 177.466 174.990 0.064 0.000 1.195 238 C CA 0.718 59.698 59.018 -0.063 0.000 1.756 238 C CB -1.893 25.706 27.740 -0.235 0.000 2.046 238 C HN 0.735 nan 8.230 nan 0.000 0.453 239 W N 0.827 122.130 121.300 0.005 0.000 2.304 239 W HA -0.193 4.333 4.660 -0.223 0.000 0.315 239 W C 2.450 178.970 176.519 0.001 0.000 1.233 239 W CA 0.641 57.966 57.345 -0.033 0.000 1.261 239 W CB -0.523 28.910 29.460 -0.044 0.000 1.150 239 W HN 0.320 nan 8.180 nan 0.000 0.494 240 I N -0.369 120.351 120.570 0.250 0.000 2.252 240 I HA -0.300 3.718 4.170 -0.253 0.000 0.245 240 I C 2.237 178.428 176.117 0.124 0.000 1.102 240 I CA 1.225 62.622 61.300 0.163 0.000 1.385 240 I CB -0.691 37.386 38.000 0.128 0.000 1.064 240 I HN 0.006 nan 8.210 nan 0.000 0.414 241 I N 0.315 120.949 120.570 0.106 0.000 2.076 241 I HA -0.341 3.678 4.170 -0.253 0.000 0.237 241 I C 2.580 178.758 176.117 0.102 0.000 1.059 241 I CA 1.340 62.692 61.300 0.086 0.000 1.317 241 I CB -0.358 37.682 38.000 0.067 0.000 1.037 241 I HN 0.211 nan 8.210 nan 0.000 0.398 242 L N 1.492 122.792 121.223 0.128 0.000 2.021 242 L HA -0.311 3.877 4.340 -0.253 0.000 0.215 242 L C 2.158 179.105 176.870 0.127 0.000 1.074 242 L CA 2.225 57.152 54.840 0.144 0.000 0.760 242 L CB -1.283 40.900 42.059 0.206 0.000 0.889 242 L HN 0.339 nan 8.230 nan 0.000 0.433 243 N N -0.366 118.413 118.700 0.132 0.000 2.000 243 N HA -0.223 4.366 4.740 -0.253 0.000 0.198 243 N C 1.845 177.412 175.510 0.094 0.000 1.057 243 N CA 2.342 55.456 53.050 0.106 0.000 0.858 243 N CB -0.578 37.975 38.487 0.111 0.000 1.057 243 N HN 0.450 nan 8.380 nan 0.000 0.423 244 A N 0.686 123.561 122.820 0.091 0.000 1.881 244 A HA -0.234 3.934 4.320 -0.253 0.000 0.219 244 A C 2.468 180.094 177.584 0.070 0.000 1.215 244 A CA 2.155 54.238 52.037 0.076 0.000 0.648 244 A CB -1.325 17.715 19.000 0.067 0.000 0.832 244 A HN 0.496 nan 8.150 nan 0.000 0.455 245 I N -0.520 120.093 120.570 0.071 0.000 2.087 245 I HA -0.419 3.599 4.170 -0.253 0.000 0.240 245 I C 2.674 178.831 176.117 0.067 0.000 1.054 245 I CA 1.835 63.175 61.300 0.066 0.000 1.311 245 I CB -0.711 37.331 38.000 0.071 0.000 1.024 245 I HN 0.465 nan 8.210 nan 0.000 0.402 246 C N -0.122 119.223 119.300 0.075 0.000 2.413 246 C HA -0.125 4.183 4.460 -0.253 0.000 0.276 246 C C 2.869 177.900 174.990 0.070 0.000 1.248 246 C CA 0.565 59.626 59.018 0.071 0.000 1.742 246 C CB -0.856 26.928 27.740 0.075 0.000 2.017 246 C HN 0.393 nan 8.230 nan 0.000 0.481 247 V N 1.020 120.979 119.914 0.075 0.000 2.488 247 V HA -0.062 3.907 4.120 -0.253 0.000 0.246 247 V C 2.602 178.735 176.094 0.065 0.000 1.046 247 V CA 1.889 64.236 62.300 0.078 0.000 1.053 247 V CB -1.058 30.818 31.823 0.089 0.000 0.679 247 V HN 0.564 nan 8.190 nan 0.000 0.458 248 A N -1.888 120.967 122.820 0.058 0.000 2.216 248 A HA -0.170 3.998 4.320 -0.253 0.000 0.214 248 A C 1.929 179.539 177.584 0.044 0.000 1.160 248 A CA 1.502 53.568 52.037 0.048 0.000 0.725 248 A CB -0.710 18.317 19.000 0.044 0.000 0.784 248 A HN 0.594 nan 8.150 nan 0.000 0.472 249 C N -1.295 118.034 119.300 0.048 0.000 2.974 249 C HA 0.457 4.766 4.460 -0.253 0.000 0.282 249 C C 1.821 176.837 174.990 0.043 0.000 1.292 249 C CA -0.107 58.937 59.018 0.043 0.000 1.710 249 C CB -1.093 26.673 27.740 0.044 0.000 2.036 249 C HN 0.949 nan 8.230 nan 0.000 0.629 250 G N 1.527 110.356 108.800 0.049 0.000 2.321 250 G HA2 -0.274 3.534 3.960 -0.253 0.000 0.287 250 G HA3 -0.274 3.534 3.960 -0.253 0.000 0.287 250 G C 0.513 175.444 174.900 0.050 0.000 1.018 250 G CA 0.553 45.683 45.100 0.051 0.000 0.855 250 G HN 0.497 nan 8.290 nan 0.000 0.507 251 L N 0.754 122.009 121.223 0.053 0.000 2.591 251 L HA 0.146 4.335 4.340 -0.253 0.000 0.228 251 L C 2.736 179.637 176.870 0.052 0.000 1.133 251 L CA 1.786 56.656 54.840 0.050 0.000 0.880 251 L CB -0.262 41.828 42.059 0.052 0.000 1.033 251 L HN 0.638 nan 8.230 nan 0.000 0.450 252 Q N 0.794 120.629 119.800 0.059 0.000 2.308 252 Q HA -0.290 3.899 4.340 -0.253 0.000 0.209 252 Q C 1.588 177.618 176.000 0.049 0.000 0.985 252 Q CA 1.999 57.838 55.803 0.060 0.000 0.881 252 Q CB -0.615 28.168 28.738 0.075 0.000 0.917 252 Q HN 0.763 nan 8.270 nan 0.000 0.443 253 K N 0.339 120.766 120.400 0.045 0.000 2.103 253 K HA -0.074 4.094 4.320 -0.253 0.000 0.207 253 K C 1.906 178.528 176.600 0.036 0.000 1.048 253 K CA 1.642 57.952 56.287 0.039 0.000 0.930 253 K CB -0.297 32.223 32.500 0.033 0.000 0.716 253 K HN 0.191 nan 8.250 nan 0.000 0.444 254 A N 0.980 123.822 122.820 0.037 0.000 2.095 254 A HA 0.141 4.310 4.320 -0.253 0.000 0.212 254 A C 2.185 179.792 177.584 0.038 0.000 1.162 254 A CA 0.276 52.334 52.037 0.034 0.000 0.753 254 A CB -0.067 18.954 19.000 0.034 0.000 0.840 254 A HN 0.124 nan 8.150 nan 0.000 0.468 255 V N 0.620 120.559 119.914 0.041 0.000 2.343 255 V HA -0.293 3.675 4.120 -0.253 0.000 0.247 255 V C 2.616 178.731 176.094 0.035 0.000 1.051 255 V CA 2.300 64.623 62.300 0.038 0.000 1.036 255 V CB -0.785 31.061 31.823 0.039 0.000 0.654 255 V HN 0.569 nan 8.190 nan 0.000 0.451 256 R N -0.109 120.415 120.500 0.039 0.000 2.105 256 R HA -0.160 4.029 4.340 -0.253 0.000 0.239 256 R C 2.306 178.638 176.300 0.054 0.000 1.135 256 R CA 1.961 58.090 56.100 0.047 0.000 0.967 256 R CB -0.853 29.477 30.300 0.051 0.000 0.861 256 R HN 0.546 nan 8.270 nan 0.000 0.442 257 I N 0.418 121.014 120.570 0.043 0.000 2.394 257 I HA 0.043 4.061 4.170 -0.253 0.000 0.251 257 I C 2.469 178.607 176.117 0.036 0.000 1.136 257 I CA 2.073 63.394 61.300 0.035 0.000 1.425 257 I CB -1.461 36.551 38.000 0.020 0.000 1.079 257 I HN 0.351 nan 8.210 nan 0.000 0.425 258 A N -0.795 122.047 122.820 0.036 0.000 1.930 258 A HA -0.089 4.080 4.320 -0.253 0.000 0.215 258 A C 2.672 180.278 177.584 0.036 0.000 1.176 258 A CA 1.746 53.804 52.037 0.036 0.000 0.632 258 A CB -0.974 18.051 19.000 0.041 0.000 0.819 258 A HN 0.720 nan 8.150 nan 0.000 0.445 259 S N 0.258 115.978 115.700 0.034 0.000 2.365 259 S HA -0.251 4.067 4.470 -0.253 0.000 0.225 259 S C 1.612 176.252 174.600 0.068 0.000 1.039 259 S CA 2.156 60.373 58.200 0.028 0.000 1.033 259 S CB -0.553 62.665 63.200 0.030 0.000 0.887 259 S HN 0.580 nan 8.310 nan 0.000 0.447 260 D N 1.220 121.694 120.400 0.124 0.000 2.117 260 D HA -0.029 4.459 4.640 -0.253 0.000 0.197 260 D C 2.282 178.763 176.300 0.302 0.000 0.987 260 D CA 1.395 55.551 54.000 0.259 0.000 0.829 260 D CB -0.948 40.000 40.800 0.248 0.000 0.961 260 D HN 0.481 nan 8.370 nan 0.000 0.460 261 V N 1.258 121.249 119.914 0.127 0.000 2.453 261 V HA -0.282 3.686 4.120 -0.253 0.000 0.252 261 V C 2.376 178.521 176.094 0.085 0.000 1.068 261 V CA 2.375 64.723 62.300 0.080 0.000 1.070 261 V CB -0.687 31.148 31.823 0.021 0.000 0.664 261 V HN 0.038 nan 8.190 nan 0.000 0.461 262 R N -0.175 120.348 120.500 0.038 0.000 2.061 262 R HA -0.137 4.051 4.340 -0.253 0.000 0.230 262 R C 2.630 178.837 176.300 -0.155 0.000 1.140 262 R CA 1.794 57.864 56.100 -0.050 0.000 0.940 262 R CB -0.328 29.933 30.300 -0.064 0.000 0.839 262 R HN 0.601 nan 8.270 nan 0.000 0.429 263 S N 0.174 115.766 115.700 -0.180 0.000 2.368 263 S HA -0.206 4.113 4.470 -0.253 0.000 0.226 263 S C 1.832 175.958 174.600 -0.790 0.000 1.044 263 S CA 1.827 59.700 58.200 -0.546 0.000 1.062 263 S CB -0.598 62.387 63.200 -0.358 0.000 0.931 263 S HN 0.425 nan 8.310 nan 0.000 0.440 264 Y N 0.984 121.143 120.300 -0.236 0.000 2.181 264 Y HA -0.093 4.307 4.550 -0.249 0.000 0.288 264 Y C 2.382 178.225 175.900 -0.095 0.000 1.146 264 Y CA 0.780 58.863 58.100 -0.029 0.000 1.164 264 Y CB -0.546 37.970 38.460 0.093 0.000 0.982 264 Y HN 0.172 nan 8.280 nan 0.000 0.515 265 L N 0.153 121.383 121.223 0.011 0.000 2.042 265 L HA -0.234 3.954 4.340 -0.253 0.000 0.210 265 L C 2.533 179.303 176.870 -0.166 0.000 1.076 265 L CA 2.279 57.080 54.840 -0.065 0.000 0.749 265 L CB -1.191 40.820 42.059 -0.080 0.000 0.893 265 L HN 0.305 nan 8.230 nan 0.000 0.432 266 S N -1.273 114.253 115.700 -0.290 0.000 2.387 266 S HA -0.143 4.175 4.470 -0.253 0.000 0.226 266 S C 1.973 176.462 174.600 -0.186 0.000 1.026 266 S CA 0.874 58.880 58.200 -0.324 0.000 0.972 266 S CB -0.834 62.127 63.200 -0.398 0.000 0.814 266 S HN 0.364 nan 8.310 nan 0.000 0.477 267 F N 1.822 121.728 119.950 -0.073 0.000 2.102 267 F HA 0.120 4.497 4.527 -0.249 0.000 0.298 267 F C 2.221 178.026 175.800 0.008 0.000 1.105 267 F CA 0.366 58.350 58.000 -0.027 0.000 1.239 267 F CB -1.399 37.599 39.000 -0.004 0.000 0.991 267 F HN 0.260 nan 8.300 nan 0.000 0.474 268 L N -0.359 120.977 121.223 0.187 0.000 1.990 268 L HA -0.248 3.940 4.340 -0.253 0.000 0.213 268 L C 2.351 179.282 176.870 0.101 0.000 1.072 268 L CA 1.815 56.734 54.840 0.132 0.000 0.755 268 L CB -0.623 41.480 42.059 0.072 0.000 0.889 268 L HN 0.005 nan 8.230 nan 0.000 0.432 269 M N -0.860 118.725 119.600 -0.026 0.000 2.065 269 M HA -0.251 4.078 4.480 -0.253 0.000 0.259 269 M C 2.446 178.786 176.300 0.067 0.000 1.071 269 M CA 1.973 57.218 55.300 -0.092 0.000 1.109 269 M CB -1.317 30.986 32.600 -0.495 0.000 1.313 269 M HN 0.344 nan 8.290 nan 0.000 0.408 270 L N -0.362 120.886 121.223 0.041 0.000 2.021 270 L HA -0.228 3.960 4.340 -0.253 0.000 0.215 270 L C 2.623 179.613 176.870 0.200 0.000 1.074 270 L CA 1.691 56.605 54.840 0.124 0.000 0.760 270 L CB -1.388 40.746 42.059 0.126 0.000 0.889 270 L HN 0.449 nan 8.230 nan 0.000 0.433 271 G N -0.929 107.990 108.800 0.200 0.000 2.440 271 G HA2 -0.316 3.492 3.960 -0.253 0.000 0.218 271 G HA3 -0.316 3.492 3.960 -0.253 0.000 0.218 271 G C 1.364 176.459 174.900 0.325 0.000 1.154 271 G CA 0.654 45.888 45.100 0.224 0.000 0.767 271 G HN 0.593 nan 8.290 nan 0.000 0.552 272 W N 1.051 122.418 121.300 0.112 0.000 2.332 272 W HA -0.207 4.298 4.660 -0.257 0.000 0.321 272 W C 2.218 178.820 176.519 0.137 0.000 1.219 272 W CA 1.771 59.178 57.345 0.104 0.000 1.277 272 W CB -0.434 29.055 29.460 0.049 0.000 1.161 272 W HN 0.112 nan 8.180 nan 0.000 0.476 273 V N 1.259 121.206 119.914 0.054 0.000 2.469 273 V HA -0.340 3.629 4.120 -0.253 0.000 0.251 273 V C 2.021 178.102 176.094 -0.021 0.000 1.064 273 V CA 2.200 64.460 62.300 -0.066 0.000 1.066 273 V CB -1.385 30.508 31.823 0.115 0.000 0.667 273 V HN 0.279 nan 8.190 nan 0.000 0.461 274 F N 1.548 121.486 119.950 -0.021 0.000 2.051 274 F HA -0.178 4.197 4.527 -0.252 0.000 0.296 274 F C 2.240 178.020 175.800 -0.034 0.000 1.122 274 F CA 2.283 60.289 58.000 0.010 0.000 1.201 274 F CB -0.233 38.795 39.000 0.047 0.000 0.978 274 F HN 0.190 nan 8.300 nan 0.000 0.472 275 I N 0.611 121.231 120.570 0.083 0.000 2.439 275 I HA -0.053 3.965 4.170 -0.253 0.000 0.251 275 I C 2.153 178.142 176.117 -0.212 0.000 1.139 275 I CA 1.735 63.017 61.300 -0.029 0.000 1.438 275 I CB -2.042 36.059 38.000 0.167 0.000 1.085 275 I HN 0.258 nan 8.210 nan 0.000 0.427 276 V N -0.290 119.405 119.914 -0.365 0.000 2.667 276 V HA -0.080 3.888 4.120 -0.253 0.000 0.252 276 V C 2.524 178.441 176.094 -0.295 0.000 1.065 276 V CA 1.966 64.004 62.300 -0.438 0.000 1.083 276 V CB -0.816 30.517 31.823 -0.815 0.000 0.692 276 V HN 0.498 nan 8.190 nan 0.000 0.468 277 S N 0.305 115.841 115.700 -0.272 0.000 2.458 277 S HA 0.391 4.710 4.470 -0.253 0.000 0.223 277 S C 1.156 175.654 174.600 -0.170 0.000 1.019 277 S CA 0.861 58.946 58.200 -0.192 0.000 0.937 277 S CB -0.376 62.745 63.200 -0.130 0.000 0.788 277 S HN 1.985 nan 8.310 nan 0.000 0.511 278 G N 0.237 108.897 108.800 -0.235 0.000 2.491 278 G HA2 0.250 4.058 3.960 -0.253 0.000 0.508 278 G HA3 0.250 4.058 3.960 -0.253 0.000 0.508 278 G C 0.458 175.216 174.900 -0.236 0.000 1.143 278 G CA -0.133 44.861 45.100 -0.177 0.000 1.277 278 G HN 0.578 nan 8.290 nan 0.000 0.599 279 A N 1.665 124.224 122.820 -0.436 0.000 1.884 279 A HA -0.004 4.164 4.320 -0.253 0.000 0.219 279 A C 2.927 180.443 177.584 -0.114 0.000 1.197 279 A CA 3.066 54.774 52.037 -0.549 0.000 0.637 279 A CB -0.908 17.936 19.000 -0.261 0.000 0.827 279 A HN 2.108 nan 8.150 nan 0.000 0.450 280 S N -1.327 114.368 115.700 -0.009 0.000 2.381 280 S HA -0.268 4.050 4.470 -0.253 0.000 0.230 280 S C 1.766 176.424 174.600 0.097 0.000 1.052 280 S CA 2.189 60.426 58.200 0.063 0.000 1.068 280 S CB -0.650 62.592 63.200 0.070 0.000 0.918 280 S HN 0.708 nan 8.310 nan 0.000 0.448 281 F N 2.296 122.229 119.950 -0.028 0.000 2.010 281 F HA -0.039 4.336 4.527 -0.253 0.000 0.296 281 F C 2.060 177.914 175.800 0.090 0.000 1.146 281 F CA 1.865 59.871 58.000 0.010 0.000 1.181 281 F CB -0.957 38.018 39.000 -0.043 0.000 0.965 281 F HN 0.235 nan 8.300 nan 0.000 0.480 282 I N 0.172 120.677 120.570 -0.110 0.000 2.210 282 I HA -0.481 3.538 4.170 -0.253 0.000 0.249 282 I C 2.397 178.548 176.117 0.056 0.000 1.047 282 I CA 1.833 63.102 61.300 -0.052 0.000 1.323 282 I CB -0.656 37.343 38.000 -0.002 0.000 1.017 282 I HN 0.354 nan 8.210 nan 0.000 0.427 283 M N -0.157 119.495 119.600 0.087 0.000 2.077 283 M HA -0.153 4.175 4.480 -0.253 0.000 0.261 283 M C 2.054 178.418 176.300 0.106 0.000 1.070 283 M CA 1.680 57.068 55.300 0.145 0.000 1.125 283 M CB -1.690 30.994 32.600 0.142 0.000 1.339 283 M HN 0.318 nan 8.290 nan 0.000 0.409 284 N N -0.285 118.433 118.700 0.030 0.000 2.069 284 N HA -0.220 4.368 4.740 -0.253 0.000 0.191 284 N C 1.865 177.359 175.510 -0.027 0.000 1.031 284 N CA 1.478 54.537 53.050 0.014 0.000 0.852 284 N CB -0.513 37.992 38.487 0.031 0.000 1.018 284 N HN 0.308 nan 8.380 nan 0.000 0.423 285 Y N 1.125 121.199 120.300 -0.377 0.000 2.181 285 Y HA -0.200 4.198 4.550 -0.253 0.000 0.288 285 Y C 2.278 178.073 175.900 -0.175 0.000 1.146 285 Y CA 1.108 58.963 58.100 -0.409 0.000 1.164 285 Y CB -0.812 37.122 38.460 -0.876 0.000 0.982 285 Y HN 0.001 nan 8.280 nan 0.000 0.515 286 F N 0.256 120.066 119.950 -0.235 0.000 2.102 286 F HA -0.184 4.190 4.527 -0.255 0.000 0.298 286 F C 2.216 177.881 175.800 -0.225 0.000 1.105 286 F CA 2.295 60.144 58.000 -0.252 0.000 1.239 286 F CB -0.843 38.101 39.000 -0.093 0.000 0.991 286 F HN -0.043 nan 8.300 nan 0.000 0.474 287 T N -0.002 114.519 114.554 -0.054 0.000 2.580 287 T HA -0.290 3.909 4.350 -0.253 0.000 0.265 287 T C 1.540 176.101 174.700 -0.231 0.000 1.063 287 T CA 1.905 63.943 62.100 -0.104 0.000 1.170 287 T CB -0.731 68.162 68.868 0.042 0.000 0.863 287 T HN 0.344 nan 8.240 nan 0.000 0.418 288 D N 0.602 120.904 120.400 -0.162 0.000 2.149 288 D HA -0.109 4.379 4.640 -0.253 0.000 0.194 288 D C 2.326 178.485 176.300 -0.236 0.000 1.001 288 D CA 1.370 55.288 54.000 -0.136 0.000 0.849 288 D CB -0.388 40.386 40.800 -0.044 0.000 0.939 288 D HN 0.237 nan 8.370 nan 0.000 0.449 289 S N -1.132 114.318 115.700 -0.417 0.000 2.370 289 S HA -0.129 4.190 4.470 -0.253 0.000 0.226 289 S C 2.190 176.501 174.600 -0.481 0.000 1.033 289 S CA 0.886 58.783 58.200 -0.505 0.000 1.011 289 S CB -0.280 62.475 63.200 -0.743 0.000 0.852 289 S HN 0.177 nan 8.310 nan 0.000 0.457 290 V N 1.525 121.081 119.914 -0.596 0.000 2.332 290 V HA -0.180 3.788 4.120 -0.253 0.000 0.248 290 V C 2.588 178.547 176.094 -0.225 0.000 1.055 290 V CA 1.999 64.013 62.300 -0.477 0.000 1.038 290 V CB -1.433 30.116 31.823 -0.457 0.000 0.651 290 V HN 0.595 nan 8.190 nan 0.000 0.450 291 G N -0.890 107.805 108.800 -0.174 0.000 2.418 291 G HA2 -0.260 3.548 3.960 -0.253 0.000 0.217 291 G HA3 -0.260 3.548 3.960 -0.253 0.000 0.217 291 G C 1.555 176.415 174.900 -0.066 0.000 1.158 291 G CA 1.039 46.083 45.100 -0.094 0.000 0.771 291 G HN 0.318 nan 8.290 nan 0.000 0.545 292 M N -0.141 119.415 119.600 -0.074 0.000 2.073 292 M HA -0.074 4.254 4.480 -0.253 0.000 0.258 292 M C 2.551 178.868 176.300 0.030 0.000 1.070 292 M CA 1.132 56.444 55.300 0.020 0.000 1.103 292 M CB -1.050 31.511 32.600 -0.066 0.000 1.321 292 M HN 0.313 nan 8.290 nan 0.000 0.405 293 L N 0.946 122.116 121.223 -0.089 0.000 2.013 293 L HA -0.185 4.004 4.340 -0.253 0.000 0.212 293 L C 2.218 179.079 176.870 -0.014 0.000 1.073 293 L CA 1.819 56.615 54.840 -0.072 0.000 0.753 293 L CB -1.049 40.942 42.059 -0.113 0.000 0.890 293 L HN 0.257 nan 8.230 nan 0.000 0.432 294 L N -1.109 120.097 121.223 -0.027 0.000 2.127 294 L HA -0.238 3.950 4.340 -0.253 0.000 0.211 294 L C 2.579 179.422 176.870 -0.045 0.000 1.089 294 L CA 1.987 56.817 54.840 -0.017 0.000 0.757 294 L CB -0.405 41.642 42.059 -0.020 0.000 0.899 294 L HN 0.574 nan 8.230 nan 0.000 0.434 295 M N -2.638 116.918 119.600 -0.074 0.000 2.466 295 M HA -0.092 4.236 4.480 -0.253 0.000 0.265 295 M C 1.781 177.890 176.300 -0.318 0.000 1.122 295 M CA 1.425 56.611 55.300 -0.189 0.000 1.157 295 M CB -0.184 32.277 32.600 -0.231 0.000 1.352 295 M HN -0.051 nan 8.290 nan 0.000 0.464 296 Y N 0.725 120.916 120.300 -0.182 0.000 2.517 296 Y HA 0.126 4.525 4.550 -0.253 0.000 0.281 296 Y C 2.095 177.868 175.900 -0.212 0.000 1.125 296 Y CA 0.632 58.578 58.100 -0.257 0.000 1.283 296 Y CB -0.141 38.119 38.460 -0.333 0.000 1.042 296 Y HN 0.249 nan 8.280 nan 0.000 0.547 297 L N 0.919 122.138 121.223 -0.005 0.000 2.058 297 L HA -0.305 3.884 4.340 -0.253 0.000 0.226 297 L C -0.812 176.109 176.870 0.085 0.000 1.089 297 L CA 2.143 57.024 54.840 0.068 0.000 0.799 297 L CB -1.094 41.012 42.059 0.078 0.000 0.900 297 L HN 0.136 nan 8.230 nan 0.000 0.442 298 P HA -0.123 nan 4.420 nan 0.000 0.218 298 P C 1.183 178.589 177.300 0.177 0.000 1.152 298 P CA 0.921 64.110 63.100 0.148 0.000 0.826 298 P CB -0.072 31.671 31.700 0.071 0.000 0.790 299 R N 0.446 120.971 120.500 0.042 0.000 2.080 299 R HA -0.053 4.135 4.340 -0.253 0.000 0.236 299 R C 2.144 178.528 176.300 0.140 0.000 1.137 299 R CA 1.963 58.101 56.100 0.063 0.000 0.943 299 R CB -1.635 28.600 30.300 -0.109 0.000 0.846 299 R HN 0.152 nan 8.270 nan 0.000 0.431 300 M N -0.338 119.233 119.600 -0.048 0.000 2.117 300 M HA -0.150 4.179 4.480 -0.253 0.000 0.262 300 M C 1.973 178.121 176.300 -0.254 0.000 1.065 300 M CA 1.161 56.242 55.300 -0.364 0.000 1.114 300 M CB -0.473 31.448 32.600 -1.133 0.000 1.361 300 M HN 0.072 nan 8.290 nan 0.000 0.408 301 L N -0.196 121.031 121.223 0.006 0.000 2.089 301 L HA -0.175 4.013 4.340 -0.253 0.000 0.213 301 L C 1.490 178.202 176.870 -0.262 0.000 1.079 301 L CA 2.097 56.953 54.840 0.027 0.000 0.758 301 L CB -0.601 41.336 42.059 -0.203 0.000 0.891 301 L HN 0.225 nan 8.230 nan 0.000 0.433 302 F N -4.067 115.922 119.950 0.066 0.000 2.706 302 F HA 0.182 4.560 4.527 -0.249 0.000 0.313 302 F C 0.252 176.129 175.800 0.128 0.000 1.096 302 F CA -1.033 56.977 58.000 0.016 0.000 1.219 302 F CB -0.394 38.559 39.000 -0.078 0.000 1.051 302 F HN -0.220 nan 8.300 nan 0.000 0.568 303 Y N 2.591 122.973 120.300 0.137 0.000 2.802 303 Y HA 0.059 4.457 4.550 -0.254 0.000 0.333 303 Y C 1.553 177.508 175.900 0.091 0.000 1.244 303 Y CA 0.305 58.469 58.100 0.107 0.000 1.558 303 Y CB 0.542 39.021 38.460 0.031 0.000 1.233 303 Y HN 0.192 nan 8.280 nan 0.000 0.547 304 T N -0.190 114.209 114.554 -0.258 0.000 3.087 304 T HA 0.102 4.300 4.350 -0.253 0.000 0.283 304 T C 0.122 174.568 174.700 -0.422 0.000 0.956 304 T CA 0.279 62.232 62.100 -0.246 0.000 0.894 304 T CB -0.272 68.584 68.868 -0.020 0.000 1.160 304 T HN 0.592 nan 8.240 nan 0.000 0.532 305 D N 3.020 122.972 120.400 -0.747 0.000 2.740 305 D HA -0.095 4.393 4.640 -0.253 0.000 0.231 305 D C -1.524 174.647 176.300 -0.215 0.000 1.194 305 D CA 0.972 54.665 54.000 -0.512 0.000 0.673 305 D CB -0.121 40.355 40.800 -0.541 0.000 0.995 305 D HN 0.366 nan 8.370 nan 0.000 0.411 306 P HA 0.016 nan 4.420 nan 0.000 0.240 306 P C 1.568 178.831 177.300 -0.063 0.000 1.190 306 P CA 0.098 63.142 63.100 -0.092 0.000 0.781 306 P CB 0.381 32.035 31.700 -0.077 0.000 0.931 307 I N 0.260 120.802 120.570 -0.047 0.000 2.499 307 I HA 0.065 4.083 4.170 -0.253 0.000 0.243 307 I C 2.380 178.485 176.117 -0.020 0.000 1.085 307 I CA 1.000 62.284 61.300 -0.027 0.000 1.422 307 I CB -1.833 36.160 38.000 -0.011 0.000 1.165 307 I HN -0.121 nan 8.210 nan 0.000 0.440 308 A N 0.764 123.577 122.820 -0.011 0.000 2.125 308 A HA -0.180 3.989 4.320 -0.253 0.000 0.219 308 A C 1.203 178.780 177.584 -0.010 0.000 1.156 308 A CA 0.685 52.722 52.037 -0.000 0.000 0.671 308 A CB -0.791 18.221 19.000 0.021 0.000 0.794 308 A HN 0.518 nan 8.150 nan 0.000 0.459 309 K N -0.880 119.501 120.400 -0.032 0.000 3.100 309 K HA -0.200 3.968 4.320 -0.253 0.000 0.261 309 K C 0.534 177.124 176.600 -0.017 0.000 0.920 309 K CA 0.276 56.541 56.287 -0.036 0.000 0.683 309 K CB -2.283 30.199 32.500 -0.031 0.000 1.349 309 K HN 0.616 nan 8.250 nan 0.000 0.473 310 G N -0.283 108.515 108.800 -0.004 0.000 2.403 310 G HA2 0.363 4.171 3.960 -0.253 0.000 0.259 310 G HA3 0.363 4.171 3.960 -0.253 0.000 0.259 310 G C 1.153 176.073 174.900 0.032 0.000 1.244 310 G CA -0.081 45.038 45.100 0.031 0.000 0.849 310 G HN 0.271 nan 8.290 nan 0.000 0.532 311 G N 1.135 109.958 108.800 0.038 0.000 2.679 311 G HA2 -0.130 3.679 3.960 -0.253 0.000 0.212 311 G HA3 -0.130 3.679 3.960 -0.253 0.000 0.212 311 G C 1.264 176.194 174.900 0.050 0.000 1.137 311 G CA 0.280 45.391 45.100 0.017 0.000 0.787 311 G HN 0.592 nan 8.290 nan 0.000 0.534 312 F N 2.499 122.440 119.950 -0.015 0.000 2.039 312 F HA -0.252 4.123 4.527 -0.253 0.000 0.296 312 F C 0.552 176.387 175.800 0.057 0.000 1.119 312 F CA 2.684 60.713 58.000 0.048 0.000 1.211 312 F CB -0.478 38.539 39.000 0.028 0.000 0.956 312 F HN 0.154 nan 8.300 nan 0.000 0.496 313 P HA -0.190 nan 4.420 nan 0.000 0.216 313 P C 1.119 178.463 177.300 0.074 0.000 1.150 313 P CA 1.861 65.128 63.100 0.278 0.000 0.837 313 P CB -0.139 31.611 31.700 0.083 0.000 0.786 314 Q N -0.467 119.333 119.800 0.001 0.000 2.137 314 Q HA 0.050 4.239 4.340 -0.253 0.000 0.198 314 Q C 2.445 178.413 176.000 -0.054 0.000 0.960 314 Q CA 1.795 57.553 55.803 -0.075 0.000 0.847 314 Q CB -1.237 27.419 28.738 -0.137 0.000 0.915 314 Q HN 0.288 nan 8.270 nan 0.000 0.448 315 G N -1.921 106.838 108.800 -0.068 0.000 2.603 315 G HA2 -0.092 3.716 3.960 -0.253 0.000 0.214 315 G HA3 -0.092 3.716 3.960 -0.253 0.000 0.214 315 G C 0.646 175.265 174.900 -0.468 0.000 1.140 315 G CA -0.029 44.964 45.100 -0.179 0.000 0.800 315 G HN 0.290 nan 8.290 nan 0.000 0.533 316 W N -0.274 120.854 121.300 -0.287 0.000 3.434 316 W HA 0.192 4.697 4.660 -0.258 0.000 0.238 316 W C 2.809 178.850 176.519 -0.796 0.000 0.910 316 W CA 0.710 57.685 57.345 -0.617 0.000 2.222 316 W CB -0.067 28.999 29.460 -0.657 0.000 1.131 316 W HN -0.087 nan 8.180 nan 0.000 0.636 317 T N 0.989 115.442 114.554 -0.170 0.000 2.614 317 T HA -0.214 3.984 4.350 -0.253 0.000 0.263 317 T C 1.709 176.200 174.700 -0.348 0.000 1.055 317 T CA 2.163 64.056 62.100 -0.346 0.000 1.162 317 T CB -0.830 67.909 68.868 -0.215 0.000 0.863 317 T HN -0.176 nan 8.240 nan 0.000 0.414 318 V N 1.612 121.425 119.914 -0.168 0.000 2.380 318 V HA -0.181 3.787 4.120 -0.253 0.000 0.251 318 V C 1.942 177.991 176.094 -0.075 0.000 1.063 318 V CA 2.054 64.299 62.300 -0.092 0.000 1.055 318 V CB -0.915 30.863 31.823 -0.076 0.000 0.657 318 V HN 0.553 nan 8.190 nan 0.000 0.455 319 F N -0.257 119.595 119.950 -0.164 0.000 2.075 319 F HA -0.228 4.149 4.527 -0.250 0.000 0.297 319 F C 2.338 178.228 175.800 0.151 0.000 1.113 319 F CA 1.801 59.750 58.000 -0.085 0.000 1.218 319 F CB -0.384 38.522 39.000 -0.157 0.000 0.984 319 F HN 0.117 nan 8.300 nan 0.000 0.472 320 Y N -0.051 120.021 120.300 -0.379 0.000 2.073 320 Y HA -0.377 4.030 4.550 -0.238 0.000 0.257 320 Y C 2.618 178.725 175.900 0.345 0.000 1.093 320 Y CA 1.214 59.201 58.100 -0.189 0.000 1.076 320 Y CB -1.249 37.059 38.460 -0.253 0.000 0.984 320 Y HN 0.177 nan 8.280 nan 0.000 0.478 321 W N -0.212 121.223 121.300 0.224 0.000 2.219 321 W HA -0.454 4.051 4.660 -0.258 0.000 0.341 321 W C 2.600 179.249 176.519 0.218 0.000 1.395 321 W CA 0.630 58.083 57.345 0.180 0.000 1.404 321 W CB -0.589 28.961 29.460 0.150 0.000 1.089 321 W HN 0.244 nan 8.180 nan 0.000 0.481 322 A N -0.896 122.042 122.820 0.197 0.000 1.972 322 A HA -0.240 3.929 4.320 -0.253 0.000 0.219 322 A C 1.511 179.271 177.584 0.293 0.000 1.169 322 A CA 1.406 53.446 52.037 0.004 0.000 0.635 322 A CB -1.310 17.404 19.000 -0.477 0.000 0.810 322 A HN 0.498 nan 8.150 nan 0.000 0.446 323 W N -0.399 121.011 121.300 0.183 0.000 2.355 323 W HA -0.164 4.374 4.660 -0.204 0.000 0.309 323 W C 1.868 178.523 176.519 0.227 0.000 1.206 323 W CA 1.074 58.526 57.345 0.180 0.000 1.284 323 W CB -1.136 28.403 29.460 0.131 0.000 1.145 323 W HN 0.526 nan 8.180 nan 0.000 0.502 324 W N 0.007 121.532 121.300 0.376 0.000 2.325 324 W HA -0.221 4.318 4.660 -0.201 0.000 0.299 324 W C 2.402 179.116 176.519 0.324 0.000 1.215 324 W CA 2.121 59.624 57.345 0.263 0.000 1.244 324 W CB -1.033 28.435 29.460 0.012 0.000 1.140 324 W HN -0.374 nan 8.180 nan 0.000 0.523 325 V N 0.044 120.230 119.914 0.454 0.000 2.515 325 V HA -0.269 3.700 4.120 -0.253 0.000 0.250 325 V C 1.859 178.075 176.094 0.203 0.000 1.058 325 V CA 1.344 63.797 62.300 0.255 0.000 1.064 325 V CB -0.761 31.122 31.823 0.100 0.000 0.675 325 V HN 0.155 nan 8.190 nan 0.000 0.461 326 I N -0.855 119.827 120.570 0.188 0.000 2.086 326 I HA -0.230 3.789 4.170 -0.253 0.000 0.233 326 I C 2.317 178.435 176.117 0.002 0.000 1.060 326 I CA 1.886 63.190 61.300 0.006 0.000 1.326 326 I CB -0.471 37.477 38.000 -0.088 0.000 1.067 326 I HN 0.198 nan 8.210 nan 0.000 0.398 327 Y N 1.120 121.518 120.300 0.163 0.000 2.639 327 Y HA -0.253 4.201 4.550 -0.161 0.000 0.289 327 Y C 2.450 178.374 175.900 0.041 0.000 1.155 327 Y CA 0.409 58.568 58.100 0.099 0.000 1.379 327 Y CB -0.647 37.842 38.460 0.048 0.000 0.967 327 Y HN 0.237 nan 8.280 nan 0.000 0.569 328 A N 0.779 123.711 122.820 0.186 0.000 1.873 328 A HA -0.239 3.929 4.320 -0.253 0.000 0.218 328 A C 2.202 179.659 177.584 -0.210 0.000 1.193 328 A CA 2.095 54.030 52.037 -0.170 0.000 0.629 328 A CB -0.867 18.223 19.000 0.151 0.000 0.826 328 A HN 0.509 nan 8.150 nan 0.000 0.447 329 I N -0.835 119.774 120.570 0.065 0.000 2.286 329 I HA -0.220 3.799 4.170 -0.253 0.000 0.245 329 I C 2.624 178.728 176.117 -0.022 0.000 1.104 329 I CA 1.083 62.441 61.300 0.097 0.000 1.397 329 I CB -0.562 37.633 38.000 0.325 0.000 1.072 329 I HN 0.363 nan 8.210 nan 0.000 0.417 330 Q N 0.149 120.006 119.800 0.094 0.000 2.135 330 Q HA -0.189 3.999 4.340 -0.253 0.000 0.204 330 Q C 2.159 178.181 176.000 0.036 0.000 0.981 330 Q CA 1.573 57.425 55.803 0.082 0.000 0.856 330 Q CB -0.285 28.562 28.738 0.181 0.000 0.902 330 Q HN 0.546 nan 8.270 nan 0.000 0.425 331 M N -0.188 119.417 119.600 0.008 0.000 2.115 331 M HA -0.080 4.249 4.480 -0.253 0.000 0.261 331 M C 2.222 178.582 176.300 0.099 0.000 1.079 331 M CA 1.018 56.340 55.300 0.037 0.000 1.143 331 M CB -0.424 32.224 32.600 0.081 0.000 1.332 331 M HN 0.066 nan 8.290 nan 0.000 0.421 332 S N 1.200 116.890 115.700 -0.016 0.000 2.392 332 S HA -0.189 4.130 4.470 -0.253 0.000 0.232 332 S C 1.813 176.468 174.600 0.092 0.000 1.041 332 S CA 1.380 59.627 58.200 0.079 0.000 1.026 332 S CB -0.602 62.657 63.200 0.098 0.000 0.845 332 S HN 0.370 nan 8.310 nan 0.000 0.465 333 I N 0.074 120.567 120.570 -0.128 0.000 2.226 333 I HA -0.177 3.841 4.170 -0.253 0.000 0.245 333 I C 2.123 178.360 176.117 0.200 0.000 1.100 333 I CA 1.251 62.497 61.300 -0.089 0.000 1.374 333 I CB -0.219 37.603 38.000 -0.297 0.000 1.057 333 I HN 0.268 nan 8.210 nan 0.000 0.413 334 F N 1.215 121.181 119.950 0.027 0.000 2.128 334 F HA -0.129 4.314 4.527 -0.139 0.000 0.295 334 F C 2.144 177.990 175.800 0.078 0.000 1.100 334 F CA 1.508 59.533 58.000 0.043 0.000 1.260 334 F CB -0.298 38.706 39.000 0.007 0.000 1.009 334 F HN -0.143 nan 8.300 nan 0.000 0.476 335 L N 0.189 121.695 121.223 0.472 0.000 2.083 335 L HA -0.213 3.976 4.340 -0.253 0.000 0.209 335 L C 2.834 179.853 176.870 0.249 0.000 1.083 335 L CA 1.182 56.217 54.840 0.325 0.000 0.752 335 L CB -1.338 40.897 42.059 0.293 0.000 0.899 335 L HN 0.304 nan 8.230 nan 0.000 0.433 336 A N 0.380 123.367 122.820 0.278 0.000 1.892 336 A HA -0.244 3.924 4.320 -0.253 0.000 0.218 336 A C 2.393 180.197 177.584 0.367 0.000 1.188 336 A CA 1.806 54.052 52.037 0.348 0.000 0.631 336 A CB -0.491 18.766 19.000 0.428 0.000 0.822 336 A HN 0.363 nan 8.150 nan 0.000 0.447 337 R N -1.041 119.580 120.500 0.202 0.000 2.062 337 R HA -0.064 4.124 4.340 -0.253 0.000 0.229 337 R C 2.274 178.668 176.300 0.157 0.000 1.128 337 R CA 1.481 57.676 56.100 0.157 0.000 0.960 337 R CB -0.946 29.317 30.300 -0.062 0.000 0.855 337 R HN 0.528 nan 8.270 nan 0.000 0.432 338 I N 0.238 120.783 120.570 -0.042 0.000 3.010 338 I HA -0.062 3.957 4.170 -0.253 0.000 0.271 338 I C 1.528 177.822 176.117 0.296 0.000 1.293 338 I CA 1.717 62.982 61.300 -0.058 0.000 1.452 338 I CB -0.567 37.184 38.000 -0.414 0.000 1.082 338 I HN 0.049 nan 8.210 nan 0.000 0.484 339 S N -0.819 115.105 115.700 0.373 0.000 2.664 339 S HA 0.303 4.621 4.470 -0.253 0.000 0.245 339 S C 0.799 175.526 174.600 0.210 0.000 1.019 339 S CA -0.569 57.883 58.200 0.420 0.000 0.996 339 S CB -0.281 63.264 63.200 0.575 0.000 0.878 339 S HN 0.764 nan 8.310 nan 0.000 0.493 340 R N 1.253 121.816 120.500 0.106 0.000 2.679 340 R HA 0.290 4.478 4.340 -0.253 0.000 0.268 340 R C 1.088 177.259 176.300 -0.214 0.000 1.044 340 R CA 1.394 57.333 56.100 -0.269 0.000 1.105 340 R CB -0.044 29.674 30.300 -0.970 0.000 0.989 340 R HN 0.382 nan 8.270 nan 0.000 0.447 341 G N 2.873 111.557 108.800 -0.195 0.000 2.176 341 G HA2 -0.291 3.517 3.960 -0.253 0.000 0.252 341 G HA3 -0.291 3.517 3.960 -0.253 0.000 0.252 341 G C -0.107 174.737 174.900 -0.093 0.000 1.024 341 G CA 0.355 45.378 45.100 -0.127 0.000 0.755 341 G HN 0.593 nan 8.290 nan 0.000 0.507 342 R N -0.766 119.704 120.500 -0.050 0.000 2.782 342 R HA 0.690 4.878 4.340 -0.253 0.000 0.258 342 R C 0.259 176.568 176.300 0.014 0.000 1.055 342 R CA -0.095 55.956 56.100 -0.082 0.000 1.065 342 R CB 0.936 31.130 30.300 -0.177 0.000 1.172 342 R HN 0.237 nan 8.270 nan 0.000 0.510 343 T N -0.662 113.885 114.554 -0.012 0.000 2.889 343 T HA 0.086 4.284 4.350 -0.253 0.000 0.291 343 T C 1.646 176.351 174.700 0.010 0.000 0.995 343 T CA -0.591 61.512 62.100 0.005 0.000 1.092 343 T CB 1.043 69.891 68.868 -0.034 0.000 0.954 343 T HN 0.273 nan 8.240 nan 0.000 0.506 344 V N 5.057 124.980 119.914 0.015 0.000 2.233 344 V HA -0.230 3.739 4.120 -0.253 0.000 0.252 344 V C 2.861 178.871 176.094 -0.140 0.000 1.063 344 V CA 2.741 65.034 62.300 -0.013 0.000 1.032 344 V CB -0.795 31.005 31.823 -0.039 0.000 0.645 344 V HN 0.953 nan 8.190 nan 0.000 0.446 345 R N -0.462 119.900 120.500 -0.229 0.000 2.120 345 R HA -0.199 3.989 4.340 -0.253 0.000 0.234 345 R C 2.326 178.466 176.300 -0.266 0.000 1.123 345 R CA 1.879 57.728 56.100 -0.418 0.000 0.975 345 R CB -0.305 29.767 30.300 -0.380 0.000 0.866 345 R HN 0.656 nan 8.270 nan 0.000 0.446 346 E N 0.186 120.348 120.200 -0.063 0.000 2.130 346 E HA -0.229 3.969 4.350 -0.253 0.000 0.196 346 E C 1.838 178.555 176.600 0.196 0.000 0.998 346 E CA 1.307 57.748 56.400 0.069 0.000 0.806 346 E CB 0.016 29.718 29.700 0.002 0.000 0.738 346 E HN 0.245 nan 8.360 nan 0.000 0.459 347 L N -0.020 121.292 121.223 0.147 0.000 2.127 347 L HA -0.078 4.111 4.340 -0.253 0.000 0.203 347 L C 2.236 179.219 176.870 0.189 0.000 1.080 347 L CA 1.314 56.334 54.840 0.299 0.000 0.768 347 L CB -0.570 41.638 42.059 0.248 0.000 0.924 347 L HN 0.192 nan 8.230 nan 0.000 0.444 348 C N -0.229 119.049 119.300 -0.037 0.000 2.413 348 C HA -0.193 4.115 4.460 -0.253 0.000 0.277 348 C C 2.549 177.696 174.990 0.262 0.000 1.228 348 C CA 0.820 59.796 59.018 -0.071 0.000 1.731 348 C CB -1.431 25.810 27.740 -0.833 0.000 2.042 348 C HN 0.549 nan 8.230 nan 0.000 0.468 349 F N 1.676 121.723 119.950 0.162 0.000 2.161 349 F HA 0.006 4.380 4.527 -0.255 0.000 0.300 349 F C 2.466 178.364 175.800 0.163 0.000 1.089 349 F CA 1.371 59.498 58.000 0.211 0.000 1.282 349 F CB -1.670 37.410 39.000 0.132 0.000 1.010 349 F HN 0.303 nan 8.300 nan 0.000 0.485 350 G N 0.362 109.380 108.800 0.363 0.000 2.404 350 G HA2 -0.185 3.623 3.960 -0.253 0.000 0.214 350 G HA3 -0.185 3.623 3.960 -0.253 0.000 0.214 350 G C 1.650 176.498 174.900 -0.087 0.000 1.189 350 G CA 0.912 46.128 45.100 0.193 0.000 0.789 350 G HN 0.389 nan 8.290 nan 0.000 0.533 351 M N 0.069 119.636 119.600 -0.056 0.000 2.117 351 M HA 0.048 4.377 4.480 -0.253 0.000 0.262 351 M C 2.346 178.534 176.300 -0.187 0.000 1.065 351 M CA 1.448 56.645 55.300 -0.171 0.000 1.114 351 M CB -0.778 31.817 32.600 -0.009 0.000 1.361 351 M HN -0.018 nan 8.290 nan 0.000 0.408 352 V N 1.450 121.366 119.914 0.002 0.000 2.223 352 V HA -0.236 3.732 4.120 -0.253 0.000 0.244 352 V C 2.636 178.648 176.094 -0.136 0.000 1.045 352 V CA 1.955 64.236 62.300 -0.032 0.000 1.000 352 V CB -0.887 30.976 31.823 0.067 0.000 0.635 352 V HN 0.500 nan 8.190 nan 0.000 0.445 353 L N 0.335 121.521 121.223 -0.061 0.000 2.010 353 L HA -0.248 3.940 4.340 -0.253 0.000 0.219 353 L C 2.517 179.294 176.870 -0.155 0.000 1.077 353 L CA 2.242 57.022 54.840 -0.100 0.000 0.773 353 L CB -1.142 40.901 42.059 -0.027 0.000 0.892 353 L HN 0.496 nan 8.230 nan 0.000 0.436 354 G N -0.534 108.151 108.800 -0.191 0.000 2.524 354 G HA2 -0.217 3.591 3.960 -0.253 0.000 0.215 354 G HA3 -0.217 3.591 3.960 -0.253 0.000 0.215 354 G C 1.478 176.249 174.900 -0.216 0.000 1.239 354 G CA 0.925 45.899 45.100 -0.210 0.000 0.798 354 G HN 0.266 nan 8.290 nan 0.000 0.557 355 L N 0.538 121.474 121.223 -0.478 0.000 1.978 355 L HA -0.169 4.019 4.340 -0.253 0.000 0.218 355 L C 3.234 179.854 176.870 -0.417 0.000 1.075 355 L CA 2.057 56.431 54.840 -0.777 0.000 0.767 355 L CB -1.287 39.630 42.059 -1.905 0.000 0.890 355 L HN 0.220 nan 8.230 nan 0.000 0.434 356 T N -0.113 114.237 114.554 -0.341 0.000 2.737 356 T HA -0.267 3.931 4.350 -0.253 0.000 0.269 356 T C 2.018 176.659 174.700 -0.098 0.000 1.040 356 T CA 1.328 63.346 62.100 -0.136 0.000 1.142 356 T CB -0.510 68.098 68.868 -0.434 0.000 0.861 356 T HN 0.484 nan 8.240 nan 0.000 0.456 357 A N 1.466 124.260 122.820 -0.043 0.000 1.859 357 A HA -0.188 3.981 4.320 -0.253 0.000 0.217 357 A C 2.593 180.370 177.584 0.323 0.000 1.198 357 A CA 2.498 54.627 52.037 0.152 0.000 0.629 357 A CB -1.397 17.697 19.000 0.157 0.000 0.830 357 A HN 0.485 nan 8.150 nan 0.000 0.446 358 S N -0.772 115.044 115.700 0.194 0.000 2.365 358 S HA -0.226 4.092 4.470 -0.253 0.000 0.221 358 S C 2.291 176.906 174.600 0.026 0.000 1.037 358 S CA 3.140 61.145 58.200 -0.326 0.000 1.060 358 S CB -1.042 61.804 63.200 -0.589 0.000 0.974 358 S HN 0.878 nan 8.310 nan 0.000 0.427 359 T N -1.785 112.890 114.554 0.202 0.000 2.708 359 T HA -0.137 4.062 4.350 -0.253 0.000 0.266 359 T C 1.626 176.623 174.700 0.494 0.000 1.037 359 T CA 1.420 63.742 62.100 0.370 0.000 1.146 359 T CB -0.909 68.221 68.868 0.437 0.000 0.865 359 T HN 0.537 nan 8.240 nan 0.000 0.435 360 W N 1.571 123.007 121.300 0.228 0.000 2.338 360 W HA 0.196 4.701 4.660 -0.257 0.000 0.304 360 W C 2.287 178.969 176.519 0.271 0.000 1.212 360 W CA -0.550 56.952 57.345 0.261 0.000 1.264 360 W CB -0.960 28.670 29.460 0.283 0.000 1.142 360 W HN 0.294 nan 8.180 nan 0.000 0.512 361 I N -0.790 120.029 120.570 0.415 0.000 2.142 361 I HA -0.335 3.683 4.170 -0.253 0.000 0.240 361 I C 2.502 178.792 176.117 0.287 0.000 1.078 361 I CA 1.057 62.517 61.300 0.265 0.000 1.343 361 I CB -0.956 37.157 38.000 0.189 0.000 1.046 361 I HN -0.113 nan 8.210 nan 0.000 0.405 362 L N 0.408 121.809 121.223 0.297 0.000 1.934 362 L HA -0.325 3.864 4.340 -0.253 0.000 0.227 362 L C 2.604 179.648 176.870 0.289 0.000 1.084 362 L CA 2.039 57.028 54.840 0.248 0.000 0.790 362 L CB -0.552 41.658 42.059 0.252 0.000 0.896 362 L HN 0.377 nan 8.230 nan 0.000 0.437 363 W N 0.218 121.570 121.300 0.087 0.000 2.283 363 W HA -0.365 4.126 4.660 -0.283 0.000 0.335 363 W C 2.724 179.339 176.519 0.160 0.000 1.313 363 W CA 2.465 59.867 57.345 0.096 0.000 1.263 363 W CB -1.202 28.315 29.460 0.094 0.000 1.141 363 W HN 0.490 nan 8.180 nan 0.000 0.468 364 T N -1.984 112.835 114.554 0.441 0.000 2.929 364 T HA -0.133 4.065 4.350 -0.253 0.000 0.271 364 T C 1.622 176.520 174.700 0.331 0.000 1.085 364 T CA 1.509 63.825 62.100 0.360 0.000 1.125 364 T CB -0.833 68.253 68.868 0.363 0.000 0.874 364 T HN -0.038 nan 8.240 nan 0.000 0.494 365 V N 1.219 121.312 119.914 0.299 0.000 2.273 365 V HA 0.083 4.051 4.120 -0.253 0.000 0.242 365 V C 2.741 178.968 176.094 0.222 0.000 1.035 365 V CA 1.180 63.647 62.300 0.277 0.000 1.013 365 V CB -0.542 31.442 31.823 0.269 0.000 0.652 365 V HN 0.431 nan 8.190 nan 0.000 0.452 366 L N 0.323 121.653 121.223 0.178 0.000 2.141 366 L HA -0.053 4.135 4.340 -0.253 0.000 0.209 366 L C 2.540 179.485 176.870 0.125 0.000 1.094 366 L CA 1.657 56.581 54.840 0.140 0.000 0.763 366 L CB -1.088 41.016 42.059 0.074 0.000 0.908 366 L HN 0.503 nan 8.230 nan 0.000 0.437 367 G N -0.101 108.794 108.800 0.157 0.000 2.394 367 G HA2 -0.224 3.585 3.960 -0.253 0.000 0.215 367 G HA3 -0.224 3.585 3.960 -0.253 0.000 0.215 367 G C 1.779 176.817 174.900 0.231 0.000 1.165 367 G CA 0.842 46.054 45.100 0.186 0.000 0.784 367 G HN 0.490 nan 8.290 nan 0.000 0.535 368 S N 1.125 117.005 115.700 0.299 0.000 2.428 368 S HA -0.127 4.192 4.470 -0.253 0.000 0.230 368 S C 1.952 176.662 174.600 0.184 0.000 1.014 368 S CA 1.354 59.745 58.200 0.318 0.000 0.957 368 S CB -0.380 63.105 63.200 0.476 0.000 0.784 368 S HN 0.472 nan 8.310 nan 0.000 0.499 369 N N 2.818 121.601 118.700 0.139 0.000 2.022 369 N HA -0.191 4.398 4.740 -0.253 0.000 0.194 369 N C 1.876 177.402 175.510 0.026 0.000 1.057 369 N CA 3.089 56.176 53.050 0.063 0.000 0.849 369 N CB -1.307 37.228 38.487 0.081 0.000 1.044 369 N HN 0.508 nan 8.380 nan 0.000 0.424 370 T N -1.542 113.032 114.554 0.033 0.000 3.025 370 T HA -0.112 4.087 4.350 -0.253 0.000 0.270 370 T C 1.754 176.452 174.700 -0.004 0.000 1.126 370 T CA 1.087 63.177 62.100 -0.017 0.000 1.105 370 T CB -0.429 68.408 68.868 -0.053 0.000 0.884 370 T HN 0.268 nan 8.240 nan 0.000 0.522 371 L N 0.204 121.446 121.223 0.031 0.000 2.102 371 L HA 0.364 4.553 4.340 -0.253 0.000 0.202 371 L C 2.275 179.109 176.870 -0.060 0.000 1.076 371 L CA 1.281 56.129 54.840 0.013 0.000 0.761 371 L CB -0.743 41.337 42.059 0.035 0.000 0.921 371 L HN 0.283 nan 8.230 nan 0.000 0.444 372 L N -0.821 120.344 121.223 -0.097 0.000 2.012 372 L HA -0.246 3.943 4.340 -0.253 0.000 0.210 372 L C 2.597 179.392 176.870 -0.125 0.000 1.073 372 L CA 1.368 56.100 54.840 -0.180 0.000 0.748 372 L CB -0.689 41.242 42.059 -0.214 0.000 0.891 372 L HN 0.298 nan 8.230 nan 0.000 0.431 373 L N -0.398 120.772 121.223 -0.089 0.000 2.081 373 L HA -0.284 3.905 4.340 -0.253 0.000 0.212 373 L C 2.508 179.335 176.870 -0.072 0.000 1.080 373 L CA 1.453 56.245 54.840 -0.080 0.000 0.754 373 L CB -0.482 41.528 42.059 -0.083 0.000 0.893 373 L HN 0.327 nan 8.230 nan 0.000 0.433 374 I N -0.304 120.231 120.570 -0.058 0.000 2.286 374 I HA -0.241 3.778 4.170 -0.253 0.000 0.245 374 I C 1.433 177.526 176.117 -0.041 0.000 1.104 374 I CA 1.301 62.582 61.300 -0.031 0.000 1.397 374 I CB -0.377 37.631 38.000 0.013 0.000 1.072 374 I HN 0.207 nan 8.210 nan 0.000 0.417 375 D N 0.720 121.079 120.400 -0.068 0.000 2.349 375 D HA -0.041 4.448 4.640 -0.253 0.000 0.224 375 D C 1.734 177.986 176.300 -0.080 0.000 1.029 375 D CA 0.628 54.582 54.000 -0.077 0.000 0.879 375 D CB 0.122 40.854 40.800 -0.112 0.000 0.906 375 D HN 0.271 nan 8.370 nan 0.000 0.528 376 K N -0.437 119.917 120.400 -0.077 0.000 2.348 376 K HA 0.107 4.275 4.320 -0.253 0.000 0.194 376 K C 0.193 176.762 176.600 -0.050 0.000 1.052 376 K CA -0.061 56.184 56.287 -0.070 0.000 1.004 376 K CB 0.427 32.881 32.500 -0.077 0.000 0.873 376 K HN -0.116 nan 8.250 nan 0.000 0.523 377 N N 0.872 119.545 118.700 -0.045 0.000 2.693 377 N HA -0.218 4.371 4.740 -0.253 0.000 0.249 377 N C 0.608 176.097 175.510 -0.036 0.000 1.119 377 N CA 0.399 53.428 53.050 -0.035 0.000 0.717 377 N CB -1.233 37.238 38.487 -0.025 0.000 1.071 377 N HN 0.216 nan 8.380 nan 0.000 0.555 378 I N -0.682 119.861 120.570 -0.044 0.000 2.113 378 I HA -0.250 3.768 4.170 -0.253 0.000 0.242 378 I C 1.203 177.295 176.117 -0.041 0.000 1.064 378 I CA 1.535 62.811 61.300 -0.040 0.000 1.320 378 I CB -0.290 37.682 38.000 -0.046 0.000 1.028 378 I HN 0.278 nan 8.210 nan 0.000 0.406 379 L N -2.334 118.855 121.223 -0.057 0.000 2.371 379 L HA 0.547 4.735 4.340 -0.253 0.000 0.262 379 L C -0.329 176.499 176.870 -0.069 0.000 1.006 379 L CA -0.831 53.969 54.840 -0.066 0.000 0.818 379 L CB 1.637 43.639 42.059 -0.094 0.000 1.354 379 L HN -0.106 nan 8.230 nan 0.000 0.415 380 N N 2.170 120.833 118.700 -0.060 0.000 2.719 380 N HA 0.300 4.889 4.740 -0.253 0.000 0.243 380 N C 0.800 176.252 175.510 -0.097 0.000 1.104 380 N CA -0.168 52.851 53.050 -0.053 0.000 0.981 380 N CB 0.626 39.100 38.487 -0.021 0.000 1.290 380 N HN 0.854 nan 8.380 nan 0.000 0.513 381 I N 2.975 123.444 120.570 -0.167 0.000 2.208 381 I HA -0.186 3.832 4.170 -0.253 0.000 0.245 381 I C -0.748 175.186 176.117 -0.304 0.000 1.097 381 I CA 1.087 62.188 61.300 -0.331 0.000 1.363 381 I CB -0.952 36.690 38.000 -0.596 0.000 1.051 381 I HN 0.363 nan 8.210 nan 0.000 0.413 382 P HA -0.129 nan 4.420 nan 0.000 0.217 382 P C 1.323 178.622 177.300 -0.002 0.000 1.150 382 P CA 1.352 64.450 63.100 -0.003 0.000 0.832 382 P CB -0.142 31.622 31.700 0.106 0.000 0.787 383 N N -0.688 118.008 118.700 -0.007 0.000 2.354 383 N HA -0.014 4.574 4.740 -0.253 0.000 0.179 383 N C 1.654 177.185 175.510 0.036 0.000 1.021 383 N CA 0.568 53.624 53.050 0.010 0.000 0.887 383 N CB -0.434 38.061 38.487 0.014 0.000 0.974 383 N HN 0.101 nan 8.380 nan 0.000 0.437 384 L N 0.564 121.805 121.223 0.031 0.000 2.027 384 L HA -0.059 4.129 4.340 -0.253 0.000 0.206 384 L C 2.262 179.194 176.870 0.103 0.000 1.074 384 L CA 0.845 55.752 54.840 0.110 0.000 0.745 384 L CB -0.257 41.775 42.059 -0.044 0.000 0.898 384 L HN 0.110 nan 8.230 nan 0.000 0.433 385 I N -0.060 120.498 120.570 -0.020 0.000 2.226 385 I HA -0.286 3.733 4.170 -0.253 0.000 0.245 385 I C 3.087 179.218 176.117 0.023 0.000 1.100 385 I CA 1.505 62.802 61.300 -0.004 0.000 1.374 385 I CB -0.908 37.080 38.000 -0.019 0.000 1.057 385 I HN 0.353 nan 8.210 nan 0.000 0.413 386 E N 0.870 121.075 120.200 0.008 0.000 2.049 386 E HA -0.337 3.861 4.350 -0.253 0.000 0.198 386 E C 2.086 178.633 176.600 -0.088 0.000 1.007 386 E CA 1.975 58.364 56.400 -0.019 0.000 0.809 386 E CB -0.829 28.860 29.700 -0.017 0.000 0.749 386 E HN 0.686 nan 8.360 nan 0.000 0.450 387 Q N -2.365 117.327 119.800 -0.181 0.000 2.398 387 Q HA 0.050 4.238 4.340 -0.253 0.000 0.204 387 Q C 1.163 176.785 176.000 -0.630 0.000 0.932 387 Q CA 0.838 56.368 55.803 -0.454 0.000 0.916 387 Q CB 0.178 28.509 28.738 -0.678 0.000 1.024 387 Q HN 0.735 nan 8.270 nan 0.000 0.504 388 Y N -1.773 118.505 120.300 -0.037 0.000 2.441 388 Y HA 0.404 4.802 4.550 -0.253 0.000 0.266 388 Y C 0.636 176.505 175.900 -0.052 0.000 1.093 388 Y CA 0.197 58.269 58.100 -0.047 0.000 1.246 388 Y CB 1.485 39.902 38.460 -0.073 0.000 1.262 388 Y HN 0.068 nan 8.280 nan 0.000 0.518 389 G N 0.057 108.908 108.800 0.085 0.000 2.650 389 G HA2 -0.131 3.677 3.960 -0.253 0.000 0.686 389 G HA3 -0.131 3.677 3.960 -0.253 0.000 0.686 389 G C 0.323 175.236 174.900 0.022 0.000 1.205 389 G CA -0.551 44.580 45.100 0.053 0.000 0.781 389 G HN -0.015 nan 8.290 nan 0.000 0.648 390 V N 1.670 121.615 119.914 0.052 0.000 2.231 390 V HA -0.207 3.762 4.120 -0.253 0.000 0.250 390 V C 3.545 179.566 176.094 -0.121 0.000 1.058 390 V CA 3.750 66.055 62.300 0.008 0.000 1.022 390 V CB -1.497 30.413 31.823 0.146 0.000 0.640 390 V HN 2.107 nan 8.190 nan 0.000 0.445 391 A N -0.305 122.493 122.820 -0.037 0.000 1.958 391 A HA -0.324 3.845 4.320 -0.253 0.000 0.221 391 A C 2.357 179.769 177.584 -0.287 0.000 1.178 391 A CA 2.280 54.240 52.037 -0.128 0.000 0.642 391 A CB -0.659 18.327 19.000 -0.024 0.000 0.816 391 A HN 0.392 nan 8.150 nan 0.000 0.453 392 R N -0.242 120.111 120.500 -0.246 0.000 2.096 392 R HA -0.162 4.027 4.340 -0.253 0.000 0.240 392 R C 2.392 178.501 176.300 -0.318 0.000 1.139 392 R CA 1.872 57.809 56.100 -0.272 0.000 0.952 392 R CB -1.158 29.026 30.300 -0.192 0.000 0.854 392 R HN 0.521 nan 8.270 nan 0.000 0.436 393 A N 0.896 123.536 122.820 -0.301 0.000 1.858 393 A HA -0.131 4.038 4.320 -0.253 0.000 0.216 393 A C 2.447 179.732 177.584 -0.497 0.000 1.190 393 A CA 1.466 53.289 52.037 -0.357 0.000 0.617 393 A CB -0.619 18.165 19.000 -0.360 0.000 0.827 393 A HN 0.319 nan 8.150 nan 0.000 0.443 394 I N 0.320 120.532 120.570 -0.596 0.000 2.145 394 I HA -0.305 3.713 4.170 -0.253 0.000 0.244 394 I C 2.168 177.535 176.117 -1.250 0.000 1.075 394 I CA 1.378 62.152 61.300 -0.878 0.000 1.332 394 I CB -0.361 37.096 38.000 -0.904 0.000 1.033 394 I HN 0.312 nan 8.210 nan 0.000 0.410 395 I N 0.169 120.130 120.570 -1.016 0.000 2.394 395 I HA -0.202 3.816 4.170 -0.253 0.000 0.251 395 I C 2.384 178.117 176.117 -0.640 0.000 1.136 395 I CA 1.353 62.111 61.300 -0.905 0.000 1.425 395 I CB -1.242 36.441 38.000 -0.528 0.000 1.079 395 I HN 0.313 nan 8.210 nan 0.000 0.425 396 E N 0.665 120.570 120.200 -0.492 0.000 2.268 396 E HA -0.150 4.048 4.350 -0.253 0.000 0.195 396 E C 2.197 178.618 176.600 -0.299 0.000 0.995 396 E CA 1.626 57.833 56.400 -0.323 0.000 0.836 396 E CB -0.180 29.373 29.700 -0.246 0.000 0.763 396 E HN 0.595 nan 8.360 nan 0.000 0.491 397 T N -2.483 111.832 114.554 -0.398 0.000 3.043 397 T HA -0.063 4.135 4.350 -0.253 0.000 0.263 397 T C 1.454 176.086 174.700 -0.113 0.000 1.094 397 T CA 0.145 62.084 62.100 -0.269 0.000 1.127 397 T CB -0.176 68.514 68.868 -0.297 0.000 0.905 397 T HN 0.066 nan 8.240 nan 0.000 0.490 398 W N 1.649 122.711 121.300 -0.397 0.000 2.453 398 W HA 0.531 5.037 4.660 -0.257 0.000 0.289 398 W C 2.792 179.108 176.519 -0.338 0.000 1.215 398 W CA -0.065 56.998 57.345 -0.471 0.000 1.297 398 W CB -1.148 27.780 29.460 -0.887 0.000 1.113 398 W HN 0.429 nan 8.180 nan 0.000 0.551 399 A N 0.002 122.695 122.820 -0.212 0.000 2.123 399 A HA 0.320 4.488 4.320 -0.253 0.000 0.214 399 A C 2.031 179.569 177.584 -0.077 0.000 1.152 399 A CA 1.166 53.002 52.037 -0.335 0.000 0.728 399 A CB -0.693 17.851 19.000 -0.759 0.000 0.814 399 A HN 0.043 nan 8.150 nan 0.000 0.464 400 A N -0.475 122.313 122.820 -0.054 0.000 2.209 400 A HA 0.348 4.516 4.320 -0.253 0.000 0.212 400 A C 0.917 178.514 177.584 0.022 0.000 1.158 400 A CA 0.068 52.100 52.037 -0.008 0.000 0.742 400 A CB -0.414 18.561 19.000 -0.042 0.000 0.790 400 A HN 0.456 nan 8.150 nan 0.000 0.472 401 L N 0.191 121.443 121.223 0.049 0.000 2.453 401 L HA 0.259 4.448 4.340 -0.253 0.000 0.261 401 L C -2.193 174.771 176.870 0.156 0.000 1.179 401 L CA -2.123 52.772 54.840 0.092 0.000 0.813 401 L CB 0.428 42.583 42.059 0.160 0.000 1.110 401 L HN 0.012 nan 8.230 nan 0.000 0.466 402 P HA 0.068 nan 4.420 nan 0.000 0.268 402 P C -0.268 177.265 177.300 0.389 0.000 1.205 402 P CA -0.128 63.117 63.100 0.242 0.000 0.771 402 P CB 0.352 32.177 31.700 0.209 0.000 0.858 403 L N 0.298 121.692 121.223 0.285 0.000 3.608 403 L HA -0.275 3.913 4.340 -0.253 0.000 0.422 403 L C 1.471 178.485 176.870 0.239 0.000 1.260 403 L CA 0.544 55.528 54.840 0.240 0.000 0.889 403 L CB -2.590 39.587 42.059 0.197 0.000 1.821 403 L HN 0.478 nan 8.230 nan 0.000 0.884 404 S N -1.135 114.708 115.700 0.239 0.000 2.381 404 S HA -0.301 4.018 4.470 -0.253 0.000 0.230 404 S C 1.915 176.633 174.600 0.198 0.000 1.052 404 S CA 2.274 60.595 58.200 0.202 0.000 1.068 404 S CB -0.619 62.735 63.200 0.257 0.000 0.918 404 S HN 0.755 nan 8.310 nan 0.000 0.448 405 T N 1.142 115.904 114.554 0.347 0.000 2.708 405 T HA 0.040 4.239 4.350 -0.253 0.000 0.266 405 T C 1.980 176.918 174.700 0.397 0.000 1.037 405 T CA 1.308 63.670 62.100 0.438 0.000 1.146 405 T CB -0.893 68.211 68.868 0.394 0.000 0.865 405 T HN 0.533 nan 8.240 nan 0.000 0.435 406 A N 1.810 124.820 122.820 0.317 0.000 1.855 406 A HA -0.011 4.157 4.320 -0.253 0.000 0.215 406 A C 2.693 180.412 177.584 0.225 0.000 1.191 406 A CA 2.219 54.424 52.037 0.280 0.000 0.613 406 A CB -1.615 17.436 19.000 0.085 0.000 0.829 406 A HN 0.545 nan 8.150 nan 0.000 0.442 407 T N 0.372 115.016 114.554 0.150 0.000 2.649 407 T HA -0.233 3.965 4.350 -0.253 0.000 0.268 407 T C 1.847 176.717 174.700 0.283 0.000 1.036 407 T CA 1.914 64.132 62.100 0.196 0.000 1.157 407 T CB -0.319 68.748 68.868 0.331 0.000 0.861 407 T HN 0.298 nan 8.240 nan 0.000 0.445 408 M N -1.173 118.532 119.600 0.176 0.000 2.394 408 M HA 0.048 4.376 4.480 -0.253 0.000 0.264 408 M C 1.857 178.272 176.300 0.192 0.000 1.073 408 M CA 0.797 56.149 55.300 0.087 0.000 1.111 408 M CB -0.891 31.534 32.600 -0.292 0.000 1.401 408 M HN 0.432 nan 8.290 nan 0.000 0.448 409 W N 0.453 121.902 121.300 0.248 0.000 2.407 409 W HA -0.056 4.450 4.660 -0.257 0.000 0.305 409 W C 2.492 179.117 176.519 0.176 0.000 1.196 409 W CA 1.272 58.777 57.345 0.265 0.000 1.311 409 W CB -0.692 28.869 29.460 0.168 0.000 1.135 409 W HN 0.291 nan 8.180 nan 0.000 0.514 410 G N -0.026 108.961 108.800 0.313 0.000 2.459 410 G HA2 -0.315 3.493 3.960 -0.253 0.000 0.217 410 G HA3 -0.315 3.493 3.960 -0.253 0.000 0.217 410 G C 1.257 176.154 174.900 -0.005 0.000 1.183 410 G CA 1.109 46.246 45.100 0.063 0.000 0.776 410 G HN 0.146 nan 8.290 nan 0.000 0.552 411 F N -0.098 119.845 119.950 -0.012 0.000 2.069 411 F HA 0.013 4.386 4.527 -0.257 0.000 0.298 411 F C 2.313 178.183 175.800 0.116 0.000 1.113 411 F CA 1.254 59.172 58.000 -0.137 0.000 1.214 411 F CB -0.656 38.094 39.000 -0.416 0.000 0.978 411 F HN 0.128 nan 8.300 nan 0.000 0.474 412 F N 1.180 121.276 119.950 0.243 0.000 2.043 412 F HA -0.272 4.102 4.527 -0.254 0.000 0.297 412 F C 2.219 178.191 175.800 0.286 0.000 1.121 412 F CA 1.500 59.639 58.000 0.233 0.000 1.199 412 F CB -1.148 37.914 39.000 0.103 0.000 0.968 412 F HN -0.070 nan 8.300 nan 0.000 0.478 413 I N -0.332 120.303 120.570 0.108 0.000 2.118 413 I HA -0.339 3.680 4.170 -0.253 0.000 0.241 413 I C 2.446 178.624 176.117 0.103 0.000 1.070 413 I CA 1.406 62.708 61.300 0.003 0.000 1.327 413 I CB -0.836 37.195 38.000 0.052 0.000 1.034 413 I HN 0.251 nan 8.210 nan 0.000 0.405 414 L N 0.796 122.056 121.223 0.062 0.000 1.978 414 L HA -0.307 3.881 4.340 -0.253 0.000 0.218 414 L C 2.619 179.527 176.870 0.063 0.000 1.075 414 L CA 2.043 56.883 54.840 -0.001 0.000 0.767 414 L CB -0.891 41.091 42.059 -0.128 0.000 0.890 414 L HN 0.361 nan 8.230 nan 0.000 0.434 415 C N -1.210 118.189 119.300 0.165 0.000 2.413 415 C HA -0.190 4.118 4.460 -0.253 0.000 0.277 415 C C 2.516 177.616 174.990 0.182 0.000 1.265 415 C CA 0.836 59.978 59.018 0.206 0.000 1.752 415 C CB -1.363 26.599 27.740 0.369 0.000 1.998 415 C HN 0.670 nan 8.230 nan 0.000 0.489 416 F N 2.451 122.468 119.950 0.110 0.000 2.014 416 F HA -0.100 4.278 4.527 -0.249 0.000 0.295 416 F C 2.326 178.091 175.800 -0.059 0.000 1.145 416 F CA 2.200 60.288 58.000 0.145 0.000 1.178 416 F CB -0.566 38.460 39.000 0.044 0.000 0.972 416 F HN 0.224 nan 8.300 nan 0.000 0.476 417 I N -0.519 120.164 120.570 0.189 0.000 2.423 417 I HA -0.158 3.861 4.170 -0.253 0.000 0.254 417 I C 2.148 178.191 176.117 -0.123 0.000 1.151 417 I CA 1.565 62.887 61.300 0.037 0.000 1.421 417 I CB -1.607 36.455 38.000 0.103 0.000 1.079 417 I HN 0.226 nan 8.210 nan 0.000 0.431 418 A N 2.068 124.814 122.820 -0.123 0.000 1.873 418 A HA -0.132 4.037 4.320 -0.253 0.000 0.215 418 A C 2.359 179.782 177.584 -0.268 0.000 1.186 418 A CA 2.514 54.455 52.037 -0.160 0.000 0.616 418 A CB -1.265 17.667 19.000 -0.114 0.000 0.823 418 A HN 0.543 nan 8.150 nan 0.000 0.442 419 T N -0.179 114.121 114.554 -0.424 0.000 2.777 419 T HA -0.101 4.097 4.350 -0.253 0.000 0.266 419 T C 1.879 176.139 174.700 -0.734 0.000 1.040 419 T CA 1.383 63.104 62.100 -0.631 0.000 1.141 419 T CB -0.579 67.718 68.868 -0.953 0.000 0.868 419 T HN 0.139 nan 8.240 nan 0.000 0.444 420 V N 1.995 121.409 119.914 -0.835 0.000 2.220 420 V HA -0.283 3.685 4.120 -0.253 0.000 0.250 420 V C 2.806 178.741 176.094 -0.265 0.000 1.056 420 V CA 2.427 64.425 62.300 -0.502 0.000 1.016 420 V CB -1.514 30.117 31.823 -0.320 0.000 0.639 420 V HN 0.527 nan 8.190 nan 0.000 0.446 421 T N 0.729 115.159 114.554 -0.207 0.000 2.620 421 T HA -0.304 3.895 4.350 -0.253 0.000 0.267 421 T C 1.846 176.474 174.700 -0.119 0.000 1.044 421 T CA 2.316 64.341 62.100 -0.124 0.000 1.161 421 T CB -0.561 68.240 68.868 -0.112 0.000 0.862 421 T HN 0.364 nan 8.240 nan 0.000 0.438 422 L N 1.557 122.682 121.223 -0.162 0.000 1.971 422 L HA -0.117 4.072 4.340 -0.253 0.000 0.215 422 L C 2.466 179.288 176.870 -0.081 0.000 1.072 422 L CA 1.749 56.515 54.840 -0.122 0.000 0.758 422 L CB -1.156 40.812 42.059 -0.153 0.000 0.889 422 L HN 0.157 nan 8.230 nan 0.000 0.433 423 V N 0.721 120.558 119.914 -0.129 0.000 2.233 423 V HA -0.344 3.625 4.120 -0.253 0.000 0.247 423 V C 2.602 178.702 176.094 0.011 0.000 1.050 423 V CA 2.098 64.365 62.300 -0.055 0.000 1.010 423 V CB -1.245 30.528 31.823 -0.083 0.000 0.637 423 V HN 0.698 nan 8.190 nan 0.000 0.444 424 N N 0.798 119.496 118.700 -0.003 0.000 2.091 424 N HA -0.237 4.351 4.740 -0.253 0.000 0.193 424 N C 1.716 177.273 175.510 0.077 0.000 1.021 424 N CA 2.271 55.349 53.050 0.047 0.000 0.862 424 N CB -0.341 38.161 38.487 0.025 0.000 1.018 424 N HN 0.490 nan 8.380 nan 0.000 0.429 425 A N -0.034 122.807 122.820 0.035 0.000 1.873 425 A HA -0.095 4.074 4.320 -0.253 0.000 0.215 425 A C 2.827 180.469 177.584 0.096 0.000 1.186 425 A CA 1.448 53.510 52.037 0.042 0.000 0.616 425 A CB -1.017 17.980 19.000 -0.005 0.000 0.823 425 A HN 0.557 nan 8.150 nan 0.000 0.442 426 C N 0.322 119.671 119.300 0.081 0.000 2.440 426 C HA -0.059 4.249 4.460 -0.253 0.000 0.278 426 C C 3.302 178.345 174.990 0.089 0.000 1.295 426 C CA 1.154 60.222 59.018 0.084 0.000 1.738 426 C CB -1.315 26.470 27.740 0.075 0.000 1.987 426 C HN 0.750 nan 8.230 nan 0.000 0.492 427 S N 0.351 116.128 115.700 0.130 0.000 2.345 427 S HA -0.244 4.075 4.470 -0.253 0.000 0.220 427 S C 1.675 176.383 174.600 0.179 0.000 1.031 427 S CA 1.452 59.753 58.200 0.168 0.000 0.996 427 S CB -1.145 62.161 63.200 0.176 0.000 0.882 427 S HN 0.694 nan 8.310 nan 0.000 0.445 428 Y N 2.929 123.269 120.300 0.067 0.000 2.014 428 Y HA -0.294 4.111 4.550 -0.242 0.000 0.272 428 Y C 2.719 178.639 175.900 0.033 0.000 1.164 428 Y CA 2.406 60.542 58.100 0.059 0.000 1.114 428 Y CB -1.110 37.382 38.460 0.053 0.000 0.961 428 Y HN 0.259 nan 8.280 nan 0.000 0.489 429 T N 1.596 116.407 114.554 0.427 0.000 2.720 429 T HA -0.231 3.967 4.350 -0.253 0.000 0.268 429 T C 1.952 176.670 174.700 0.030 0.000 1.037 429 T CA 1.724 63.983 62.100 0.266 0.000 1.144 429 T CB -0.565 68.405 68.868 0.169 0.000 0.864 429 T HN 0.330 nan 8.240 nan 0.000 0.444 430 L N 0.545 121.716 121.223 -0.088 0.000 1.988 430 L HA -0.095 4.094 4.340 -0.253 0.000 0.207 430 L C 3.098 179.719 176.870 -0.415 0.000 1.071 430 L CA 1.382 55.976 54.840 -0.409 0.000 0.744 430 L CB -0.763 40.902 42.059 -0.656 0.000 0.893 430 L HN 0.262 nan 8.230 nan 0.000 0.433 431 A N -0.572 122.172 122.820 -0.127 0.000 1.948 431 A HA -0.276 3.892 4.320 -0.253 0.000 0.220 431 A C 2.285 179.889 177.584 0.033 0.000 1.177 431 A CA 1.884 54.019 52.037 0.162 0.000 0.636 431 A CB -0.472 18.648 19.000 0.199 0.000 0.815 431 A HN 0.364 nan 8.150 nan 0.000 0.449 432 M N 0.264 119.816 119.600 -0.079 0.000 2.132 432 M HA -0.106 4.223 4.480 -0.253 0.000 0.263 432 M C 2.124 178.408 176.300 -0.028 0.000 1.065 432 M CA 1.905 57.150 55.300 -0.092 0.000 1.122 432 M CB -0.847 31.687 32.600 -0.110 0.000 1.365 432 M HN 0.587 nan 8.290 nan 0.000 0.411 433 S N -2.039 113.634 115.700 -0.046 0.000 2.603 433 S HA -0.025 4.293 4.470 -0.253 0.000 0.220 433 S C 1.589 176.175 174.600 -0.023 0.000 0.967 433 S CA 0.942 59.113 58.200 -0.047 0.000 0.920 433 S CB -0.341 62.806 63.200 -0.089 0.000 0.773 433 S HN 0.464 nan 8.310 nan 0.000 0.529 434 T N 0.179 114.746 114.554 0.021 0.000 3.044 434 T HA 0.292 4.490 4.350 -0.253 0.000 0.260 434 T C 0.063 174.880 174.700 0.196 0.000 1.019 434 T CA -0.173 62.013 62.100 0.144 0.000 0.921 434 T CB -0.308 68.718 68.868 0.264 0.000 1.053 434 T HN 0.423 nan 8.240 nan 0.000 0.533 435 C N 2.791 122.158 119.300 0.112 0.000 2.351 435 C HA 0.897 5.206 4.460 -0.253 0.000 0.326 435 C C 0.896 175.908 174.990 0.037 0.000 1.272 435 C CA -1.180 57.880 59.018 0.069 0.000 1.650 435 C CB 0.528 28.295 27.740 0.045 0.000 2.257 435 C HN 0.692 nan 8.230 nan 0.000 0.505 436 R N 1.161 121.676 120.500 0.026 0.000 2.560 436 R HA 0.499 4.687 4.340 -0.253 0.000 0.270 436 R C 0.566 176.875 176.300 0.014 0.000 1.074 436 R CA -0.119 55.993 56.100 0.021 0.000 1.140 436 R CB -0.456 29.856 30.300 0.021 0.000 1.073 436 R HN 0.910 nan 8.270 nan 0.000 0.527 437 E N -1.213 118.997 120.200 0.016 0.000 2.210 437 E HA -0.155 4.044 4.350 -0.253 0.000 0.201 437 E C -0.516 176.091 176.600 0.011 0.000 1.339 437 E CA 0.862 57.270 56.400 0.014 0.000 0.699 437 E CB -1.913 27.793 29.700 0.010 0.000 1.126 437 E HN 0.807 nan 8.360 nan 0.000 0.355 438 V N -1.531 118.391 119.914 0.013 0.000 2.443 438 V HA 0.499 4.467 4.120 -0.253 0.000 0.293 438 V C 0.377 176.483 176.094 0.021 0.000 1.021 438 V CA -1.055 61.249 62.300 0.008 0.000 0.848 438 V CB 1.704 33.522 31.823 -0.008 0.000 0.998 438 V HN 0.191 nan 8.190 nan 0.000 0.424 439 R N 2.411 122.926 120.500 0.024 0.000 2.643 439 R HA 0.241 4.430 4.340 -0.253 0.000 0.270 439 R C -0.028 176.303 176.300 0.051 0.000 1.061 439 R CA -0.400 55.722 56.100 0.036 0.000 1.107 439 R CB 0.502 30.822 30.300 0.033 0.000 0.999 439 R HN 0.889 nan 8.270 nan 0.000 0.460 440 D N 0.208 120.646 120.400 0.062 0.000 2.399 440 D HA 0.095 4.584 4.640 -0.253 0.000 0.241 440 D C 1.124 177.478 176.300 0.090 0.000 1.133 440 D CA 1.459 55.510 54.000 0.085 0.000 0.890 440 D CB 0.896 41.730 40.800 0.057 0.000 1.201 440 D HN 0.660 nan 8.370 nan 0.000 0.432 441 G N 2.608 111.497 108.800 0.148 0.000 2.176 441 G HA2 -0.237 3.571 3.960 -0.253 0.000 0.253 441 G HA3 -0.237 3.571 3.960 -0.253 0.000 0.253 441 G C 0.100 175.092 174.900 0.153 0.000 0.979 441 G CA 0.336 45.519 45.100 0.138 0.000 0.641 441 G HN 0.564 nan 8.290 nan 0.000 0.530 442 E N 0.752 121.034 120.200 0.136 0.000 2.204 442 E HA 0.443 4.641 4.350 -0.253 0.000 0.276 442 E C -1.132 175.495 176.600 0.046 0.000 0.974 442 E CA -0.919 55.529 56.400 0.081 0.000 0.815 442 E CB 1.021 30.744 29.700 0.039 0.000 1.119 442 E HN 0.167 nan 8.360 nan 0.000 0.393 443 D N 3.755 124.183 120.400 0.047 0.000 2.371 443 D HA 0.145 4.634 4.640 -0.253 0.000 0.256 443 D C -2.117 174.146 176.300 -0.061 0.000 1.193 443 D CA -0.988 53.012 54.000 0.001 0.000 0.881 443 D CB 0.521 41.354 40.800 0.054 0.000 1.143 443 D HN 0.106 nan 8.370 nan 0.000 0.473 444 P HA 0.276 nan 4.420 nan 0.000 0.276 444 P C -2.571 174.708 177.300 -0.035 0.000 1.261 444 P CA -1.426 61.614 63.100 -0.100 0.000 0.800 444 P CB -0.299 31.304 31.700 -0.161 0.000 1.066 445 P HA -0.034 nan 4.420 nan 0.000 0.260 445 P C 1.038 178.350 177.300 0.021 0.000 1.185 445 P CA 0.224 63.326 63.100 0.004 0.000 0.763 445 P CB 0.391 32.090 31.700 -0.001 0.000 0.776 446 L N 2.817 124.053 121.223 0.021 0.000 2.129 446 L HA -0.173 4.016 4.340 -0.253 0.000 0.212 446 L C 2.072 178.963 176.870 0.034 0.000 1.087 446 L CA 1.647 56.507 54.840 0.033 0.000 0.757 446 L CB -0.761 41.316 42.059 0.030 0.000 0.896 446 L HN 0.403 nan 8.230 nan 0.000 0.434 447 L N -1.297 119.937 121.223 0.018 0.000 2.027 447 L HA -0.148 4.040 4.340 -0.253 0.000 0.206 447 L C 2.675 179.550 176.870 0.008 0.000 1.074 447 L CA 1.186 56.029 54.840 0.005 0.000 0.745 447 L CB -1.335 40.715 42.059 -0.016 0.000 0.898 447 L HN 0.067 nan 8.230 nan 0.000 0.433 448 V N -0.127 119.806 119.914 0.033 0.000 2.343 448 V HA -0.286 3.682 4.120 -0.253 0.000 0.247 448 V C 2.808 178.998 176.094 0.160 0.000 1.051 448 V CA 1.698 64.054 62.300 0.094 0.000 1.036 448 V CB -0.466 31.471 31.823 0.189 0.000 0.654 448 V HN 0.421 nan 8.190 nan 0.000 0.451 449 R N 0.305 120.900 120.500 0.159 0.000 2.109 449 R HA -0.144 4.044 4.340 -0.253 0.000 0.227 449 R C 2.214 178.617 176.300 0.171 0.000 1.132 449 R CA 2.361 58.576 56.100 0.191 0.000 0.907 449 R CB -0.461 29.908 30.300 0.115 0.000 0.825 449 R HN 0.473 nan 8.270 nan 0.000 0.432 450 I N 0.413 121.046 120.570 0.104 0.000 2.423 450 I HA -0.178 3.841 4.170 -0.253 0.000 0.254 450 I C 2.407 178.560 176.117 0.060 0.000 1.151 450 I CA 1.227 62.579 61.300 0.088 0.000 1.421 450 I CB -0.917 37.121 38.000 0.064 0.000 1.079 450 I HN 0.507 nan 8.210 nan 0.000 0.431 451 G N 1.047 109.848 108.800 0.001 0.000 2.514 451 G HA2 -0.263 3.546 3.960 -0.253 0.000 0.217 451 G HA3 -0.263 3.546 3.960 -0.253 0.000 0.217 451 G C 1.315 176.139 174.900 -0.127 0.000 1.198 451 G CA 0.727 45.759 45.100 -0.114 0.000 0.780 451 G HN 0.435 nan 8.290 nan 0.000 0.565 452 W N 1.697 123.002 121.300 0.009 0.000 2.338 452 W HA -0.111 4.400 4.660 -0.248 0.000 0.304 452 W C 3.327 179.851 176.519 0.009 0.000 1.212 452 W CA 1.853 59.185 57.345 -0.021 0.000 1.264 452 W CB -0.404 29.037 29.460 -0.030 0.000 1.142 452 W HN 0.335 nan 8.180 nan 0.000 0.512 453 S N 1.081 116.930 115.700 0.249 0.000 2.402 453 S HA -0.279 4.040 4.470 -0.253 0.000 0.233 453 S C 1.722 176.407 174.600 0.142 0.000 1.030 453 S CA 1.643 59.950 58.200 0.177 0.000 1.003 453 S CB -1.279 62.010 63.200 0.148 0.000 0.813 453 S HN 0.516 nan 8.310 nan 0.000 0.477 454 I N -1.090 119.546 120.570 0.109 0.000 2.286 454 I HA 0.027 4.045 4.170 -0.253 0.000 0.245 454 I C 2.372 178.543 176.117 0.090 0.000 1.104 454 I CA 1.001 62.350 61.300 0.083 0.000 1.397 454 I CB -0.526 37.501 38.000 0.045 0.000 1.072 454 I HN 0.264 nan 8.210 nan 0.000 0.417 455 L N 1.230 122.508 121.223 0.093 0.000 2.042 455 L HA -0.111 4.077 4.340 -0.253 0.000 0.210 455 L C 2.447 179.402 176.870 0.141 0.000 1.076 455 L CA 1.684 56.592 54.840 0.113 0.000 0.749 455 L CB -0.714 41.428 42.059 0.139 0.000 0.893 455 L HN 0.149 nan 8.230 nan 0.000 0.432 456 V N -0.040 119.972 119.914 0.163 0.000 2.237 456 V HA -0.248 3.720 4.120 -0.253 0.000 0.245 456 V C 2.573 178.746 176.094 0.132 0.000 1.046 456 V CA 1.989 64.372 62.300 0.140 0.000 1.007 456 V CB -1.396 30.509 31.823 0.135 0.000 0.638 456 V HN 0.626 nan 8.190 nan 0.000 0.445 457 G N -0.796 108.083 108.800 0.133 0.000 2.485 457 G HA2 -0.247 3.562 3.960 -0.253 0.000 0.221 457 G HA3 -0.247 3.562 3.960 -0.253 0.000 0.221 457 G C 1.552 176.521 174.900 0.115 0.000 1.115 457 G CA 1.068 46.248 45.100 0.133 0.000 0.751 457 G HN 0.508 nan 8.290 nan 0.000 0.567 458 I N 0.564 121.198 120.570 0.108 0.000 2.202 458 I HA -0.110 3.909 4.170 -0.253 0.000 0.242 458 I C 2.612 178.794 176.117 0.109 0.000 1.091 458 I CA 0.488 61.847 61.300 0.099 0.000 1.368 458 I CB -0.101 37.957 38.000 0.096 0.000 1.058 458 I HN 0.094 nan 8.210 nan 0.000 0.410 459 I N 0.803 121.450 120.570 0.130 0.000 2.091 459 I HA -0.276 3.742 4.170 -0.253 0.000 0.239 459 I C 2.742 178.929 176.117 0.117 0.000 1.061 459 I CA 2.095 63.486 61.300 0.152 0.000 1.317 459 I CB -1.900 36.217 38.000 0.196 0.000 1.031 459 I HN 0.293 nan 8.210 nan 0.000 0.401 460 G N 2.040 110.907 108.800 0.112 0.000 2.529 460 G HA2 -0.274 3.534 3.960 -0.253 0.000 0.219 460 G HA3 -0.274 3.534 3.960 -0.253 0.000 0.219 460 G C 1.655 176.596 174.900 0.068 0.000 1.177 460 G CA 1.462 46.616 45.100 0.091 0.000 0.773 460 G HN 0.505 nan 8.290 nan 0.000 0.573 461 I N 0.190 120.802 120.570 0.070 0.000 2.226 461 I HA -0.118 3.901 4.170 -0.253 0.000 0.245 461 I C 2.641 178.781 176.117 0.039 0.000 1.100 461 I CA 0.536 61.865 61.300 0.049 0.000 1.374 461 I CB -0.844 37.184 38.000 0.047 0.000 1.057 461 I HN 0.017 nan 8.210 nan 0.000 0.413 462 V N 1.773 121.717 119.914 0.050 0.000 2.380 462 V HA -0.266 3.703 4.120 -0.253 0.000 0.251 462 V C 2.492 178.594 176.094 0.014 0.000 1.063 462 V CA 1.931 64.255 62.300 0.039 0.000 1.055 462 V CB -0.703 31.157 31.823 0.060 0.000 0.657 462 V HN 0.421 nan 8.190 nan 0.000 0.455 463 L N -1.202 120.029 121.223 0.014 0.000 2.068 463 L HA -0.078 4.110 4.340 -0.253 0.000 0.204 463 L C 2.390 179.251 176.870 -0.014 0.000 1.076 463 L CA 1.157 55.988 54.840 -0.015 0.000 0.753 463 L CB -0.543 41.506 42.059 -0.017 0.000 0.910 463 L HN 0.245 nan 8.230 nan 0.000 0.439 464 L N 0.013 121.239 121.223 0.005 0.000 2.081 464 L HA -0.249 3.939 4.340 -0.253 0.000 0.212 464 L C 2.855 179.729 176.870 0.006 0.000 1.080 464 L CA 1.232 56.079 54.840 0.011 0.000 0.754 464 L CB -0.660 41.412 42.059 0.022 0.000 0.893 464 L HN 0.280 nan 8.230 nan 0.000 0.433 465 A N 0.049 122.871 122.820 0.003 0.000 1.841 465 A HA -0.165 4.004 4.320 -0.253 0.000 0.214 465 A C 2.173 179.750 177.584 -0.012 0.000 1.195 465 A CA 1.325 53.361 52.037 -0.001 0.000 0.611 465 A CB -0.820 18.182 19.000 0.004 0.000 0.835 465 A HN 0.338 nan 8.150 nan 0.000 0.443 466 L N -0.623 120.587 121.223 -0.021 0.000 2.261 466 L HA -0.010 4.178 4.340 -0.253 0.000 0.216 466 L C 1.369 178.214 176.870 -0.041 0.000 1.114 466 L CA 0.495 55.313 54.840 -0.038 0.000 0.777 466 L CB -1.220 40.807 42.059 -0.054 0.000 0.910 466 L HN 0.700 nan 8.230 nan 0.000 0.440 467 G N -0.635 108.146 108.800 -0.031 0.000 2.825 467 G HA2 0.180 3.989 3.960 -0.253 0.000 0.686 467 G HA3 0.180 3.989 3.960 -0.253 0.000 0.686 467 G C 0.172 175.044 174.900 -0.048 0.000 1.362 467 G CA -0.224 44.860 45.100 -0.026 0.000 0.975 467 G HN 0.822 nan 8.290 nan 0.000 0.594 468 G N -0.272 108.506 108.800 -0.037 0.000 2.655 468 G HA2 0.169 3.978 3.960 -0.253 0.000 0.680 468 G HA3 0.169 3.978 3.960 -0.253 0.000 0.680 468 G C 0.671 175.523 174.900 -0.080 0.000 1.302 468 G CA 0.085 45.149 45.100 -0.060 0.000 0.872 468 G HN 1.585 nan 8.290 nan 0.000 0.540 469 L N -0.086 121.068 121.223 -0.114 0.000 2.408 469 L HA 0.152 4.340 4.340 -0.253 0.000 0.215 469 L C 2.864 179.548 176.870 -0.311 0.000 1.081 469 L CA 0.549 55.303 54.840 -0.144 0.000 0.840 469 L CB -0.380 41.639 42.059 -0.067 0.000 1.002 469 L HN 0.477 nan 8.230 nan 0.000 0.468 470 K N 0.662 120.843 120.400 -0.365 0.000 2.127 470 K HA -0.185 3.983 4.320 -0.253 0.000 0.208 470 K C -0.412 175.960 176.600 -0.381 0.000 1.047 470 K CA 1.792 57.788 56.287 -0.485 0.000 0.927 470 K CB -1.318 30.934 32.500 -0.414 0.000 0.716 470 K HN 0.255 nan 8.250 nan 0.000 0.450 471 P HA -0.096 nan 4.420 nan 0.000 0.212 471 P C 1.701 178.862 177.300 -0.232 0.000 1.180 471 P CA 0.990 63.965 63.100 -0.209 0.000 0.906 471 P CB -0.063 31.549 31.700 -0.147 0.000 0.782 472 I N -0.102 120.340 120.570 -0.214 0.000 2.103 472 I HA -0.399 3.619 4.170 -0.253 0.000 0.241 472 I C 2.643 178.550 176.117 -0.349 0.000 1.036 472 I CA 2.295 63.463 61.300 -0.220 0.000 1.300 472 I CB -1.014 36.905 38.000 -0.135 0.000 1.010 472 I HN 0.150 nan 8.210 nan 0.000 0.406 473 Q N -0.039 119.421 119.800 -0.567 0.000 2.123 473 Q HA -0.133 4.055 4.340 -0.253 0.000 0.199 473 Q C 1.943 177.733 176.000 -0.351 0.000 0.966 473 Q CA 1.957 57.259 55.803 -0.835 0.000 0.845 473 Q CB -0.732 27.055 28.738 -1.584 0.000 0.907 473 Q HN 0.437 nan 8.270 nan 0.000 0.439 474 T N 1.921 116.316 114.554 -0.266 0.000 2.652 474 T HA -0.165 4.034 4.350 -0.253 0.000 0.267 474 T C 2.143 176.755 174.700 -0.146 0.000 1.039 474 T CA 1.586 63.629 62.100 -0.094 0.000 1.153 474 T CB -0.662 68.150 68.868 -0.092 0.000 0.863 474 T HN 0.522 nan 8.240 nan 0.000 0.428 475 A N 1.358 124.044 122.820 -0.224 0.000 1.894 475 A HA -0.229 3.940 4.320 -0.253 0.000 0.220 475 A C 2.330 179.807 177.584 -0.177 0.000 1.237 475 A CA 2.148 54.023 52.037 -0.268 0.000 0.660 475 A CB -1.165 17.696 19.000 -0.232 0.000 0.835 475 A HN 0.518 nan 8.150 nan 0.000 0.461 476 I N -0.790 119.672 120.570 -0.180 0.000 2.133 476 I HA -0.238 3.780 4.170 -0.253 0.000 0.238 476 I C 2.412 178.502 176.117 -0.046 0.000 1.074 476 I CA 1.557 62.765 61.300 -0.154 0.000 1.342 476 I CB -0.258 37.590 38.000 -0.253 0.000 1.053 476 I HN 0.360 nan 8.210 nan 0.000 0.404 477 I N 0.510 121.068 120.570 -0.020 0.000 2.194 477 I HA -0.373 3.645 4.170 -0.253 0.000 0.246 477 I C 2.701 178.813 176.117 -0.007 0.000 1.093 477 I CA 1.457 62.731 61.300 -0.042 0.000 1.355 477 I CB -0.471 37.517 38.000 -0.020 0.000 1.046 477 I HN 0.264 nan 8.210 nan 0.000 0.413 478 A N 0.866 123.680 122.820 -0.009 0.000 1.865 478 A HA -0.175 3.993 4.320 -0.253 0.000 0.217 478 A C 2.460 180.078 177.584 0.057 0.000 1.191 478 A CA 2.061 54.105 52.037 0.011 0.000 0.623 478 A CB -1.597 17.373 19.000 -0.050 0.000 0.826 478 A HN 0.456 nan 8.150 nan 0.000 0.444 479 G N -0.534 108.302 108.800 0.060 0.000 2.553 479 G HA2 -0.124 3.685 3.960 -0.253 0.000 0.218 479 G HA3 -0.124 3.685 3.960 -0.253 0.000 0.218 479 G C 1.609 176.565 174.900 0.093 0.000 1.195 479 G CA 1.470 46.632 45.100 0.103 0.000 0.779 479 G HN 0.946 nan 8.290 nan 0.000 0.577 480 G N -0.301 108.567 108.800 0.113 0.000 2.516 480 G HA2 -0.242 3.566 3.960 -0.253 0.000 0.221 480 G HA3 -0.242 3.566 3.960 -0.253 0.000 0.221 480 G C 1.770 176.860 174.900 0.316 0.000 1.107 480 G CA 1.319 46.553 45.100 0.224 0.000 0.747 480 G HN 0.506 nan 8.290 nan 0.000 0.567 481 C N 0.883 120.320 119.300 0.229 0.000 2.462 481 C HA 0.002 4.310 4.460 -0.253 0.000 0.278 481 C C 0.783 175.848 174.990 0.125 0.000 1.253 481 C CA 1.226 60.332 59.018 0.146 0.000 1.713 481 C CB -0.989 26.784 27.740 0.055 0.000 2.049 481 C HN 0.358 nan 8.230 nan 0.000 0.477 482 P HA -0.063 nan 4.420 nan 0.000 0.216 482 P C 1.607 179.016 177.300 0.182 0.000 1.153 482 P CA 1.157 64.254 63.100 -0.005 0.000 0.848 482 P CB -0.258 31.281 31.700 -0.268 0.000 0.787 483 L N -2.071 119.223 121.223 0.119 0.000 2.265 483 L HA -0.135 4.054 4.340 -0.253 0.000 0.215 483 L C 2.239 179.159 176.870 0.085 0.000 1.117 483 L CA 1.502 56.403 54.840 0.101 0.000 0.782 483 L CB -1.510 40.566 42.059 0.029 0.000 0.914 483 L HN 0.003 nan 8.230 nan 0.000 0.441 484 F N 1.024 120.890 119.950 -0.139 0.000 2.063 484 F HA -0.327 4.048 4.527 -0.253 0.000 0.298 484 F C 2.175 177.803 175.800 -0.287 0.000 1.109 484 F CA 2.013 59.758 58.000 -0.424 0.000 1.212 484 F CB -0.311 38.203 39.000 -0.810 0.000 0.973 484 F HN -0.041 nan 8.300 nan 0.000 0.480 485 F N -1.037 119.027 119.950 0.190 0.000 2.387 485 F HA -0.025 4.350 4.527 -0.252 0.000 0.294 485 F C 2.156 178.010 175.800 0.091 0.000 1.093 485 F CA 0.738 58.816 58.000 0.131 0.000 1.420 485 F CB -1.113 37.966 39.000 0.131 0.000 1.086 485 F HN -0.241 nan 8.300 nan 0.000 0.531 486 V N 0.849 120.939 119.914 0.294 0.000 2.231 486 V HA -0.362 3.607 4.120 -0.253 0.000 0.248 486 V C 2.096 178.331 176.094 0.235 0.000 1.054 486 V CA 2.339 64.790 62.300 0.252 0.000 1.015 486 V CB -0.844 31.149 31.823 0.284 0.000 0.638 486 V HN 0.291 nan 8.190 nan 0.000 0.444 487 N N 0.254 119.078 118.700 0.206 0.000 2.036 487 N HA -0.165 4.424 4.740 -0.253 0.000 0.195 487 N C 1.694 177.315 175.510 0.185 0.000 1.037 487 N CA 1.881 55.064 53.050 0.222 0.000 0.855 487 N CB -0.550 38.078 38.487 0.235 0.000 1.033 487 N HN 0.467 nan 8.380 nan 0.000 0.423 488 I N 0.361 120.997 120.570 0.110 0.000 2.248 488 I HA -0.313 3.706 4.170 -0.253 0.000 0.248 488 I C 2.182 178.376 176.117 0.128 0.000 1.107 488 I CA 1.077 62.410 61.300 0.055 0.000 1.373 488 I CB -0.210 37.766 38.000 -0.041 0.000 1.055 488 I HN 0.190 nan 8.210 nan 0.000 0.418 489 M N -0.171 119.534 119.600 0.176 0.000 2.066 489 M HA -0.196 4.133 4.480 -0.253 0.000 0.259 489 M C 2.479 178.895 176.300 0.194 0.000 1.074 489 M CA 1.741 57.157 55.300 0.194 0.000 1.114 489 M CB -0.430 32.304 32.600 0.223 0.000 1.306 489 M HN 0.052 nan 8.290 nan 0.000 0.411 490 V N 0.382 120.416 119.914 0.200 0.000 2.250 490 V HA -0.366 3.603 4.120 -0.253 0.000 0.253 490 V C 2.329 178.553 176.094 0.215 0.000 1.065 490 V CA 2.572 64.987 62.300 0.192 0.000 1.039 490 V CB -1.296 30.628 31.823 0.169 0.000 0.647 490 V HN 0.564 nan 8.190 nan 0.000 0.446 491 T N -0.103 114.580 114.554 0.215 0.000 2.720 491 T HA -0.189 4.009 4.350 -0.253 0.000 0.268 491 T C 1.839 176.738 174.700 0.332 0.000 1.037 491 T CA 1.840 64.121 62.100 0.301 0.000 1.144 491 T CB -0.314 68.721 68.868 0.278 0.000 0.864 491 T HN 0.307 nan 8.240 nan 0.000 0.444 492 L N 0.454 121.805 121.223 0.213 0.000 2.056 492 L HA -0.068 4.120 4.340 -0.253 0.000 0.207 492 L C 2.846 179.810 176.870 0.156 0.000 1.078 492 L CA 1.020 55.951 54.840 0.152 0.000 0.749 492 L CB -0.517 41.609 42.059 0.111 0.000 0.901 492 L HN 0.253 nan 8.230 nan 0.000 0.433 493 S N -0.016 115.802 115.700 0.197 0.000 2.359 493 S HA -0.302 4.016 4.470 -0.253 0.000 0.222 493 S C 2.061 176.838 174.600 0.295 0.000 1.038 493 S CA 1.881 60.215 58.200 0.223 0.000 1.051 493 S CB -0.505 62.839 63.200 0.240 0.000 0.944 493 S HN 0.444 nan 8.310 nan 0.000 0.433 494 F N 1.744 121.813 119.950 0.198 0.000 2.192 494 F HA -0.079 4.299 4.527 -0.247 0.000 0.301 494 F C 1.719 177.479 175.800 -0.065 0.000 1.079 494 F CA 1.529 59.491 58.000 -0.063 0.000 1.303 494 F CB -0.318 38.422 39.000 -0.435 0.000 1.024 494 F HN 0.283 nan 8.300 nan 0.000 0.494 495 I N 0.067 120.521 120.570 -0.193 0.000 2.277 495 I HA -0.215 3.803 4.170 -0.253 0.000 0.243 495 I C 2.577 178.604 176.117 -0.151 0.000 1.094 495 I CA 1.031 62.171 61.300 -0.267 0.000 1.393 495 I CB -0.642 37.337 38.000 -0.035 0.000 1.078 495 I HN 0.036 nan 8.210 nan 0.000 0.417 496 K N 0.810 121.189 120.400 -0.035 0.000 2.103 496 K HA -0.284 3.885 4.320 -0.253 0.000 0.207 496 K C 1.687 178.289 176.600 0.004 0.000 1.048 496 K CA 1.844 58.132 56.287 0.003 0.000 0.930 496 K CB -0.231 32.290 32.500 0.034 0.000 0.716 496 K HN 0.301 nan 8.250 nan 0.000 0.444 497 D N -0.663 119.739 120.400 0.003 0.000 2.355 497 D HA -0.011 4.478 4.640 -0.253 0.000 0.218 497 D C 1.094 177.413 176.300 0.033 0.000 1.004 497 D CA 0.519 54.562 54.000 0.071 0.000 0.880 497 D CB 0.441 41.368 40.800 0.212 0.000 0.911 497 D HN 0.283 nan 8.370 nan 0.000 0.528 498 A N 0.339 123.052 122.820 -0.178 0.000 2.140 498 A HA 0.082 4.250 4.320 -0.253 0.000 0.209 498 A C 2.093 179.729 177.584 0.086 0.000 1.181 498 A CA 0.129 52.076 52.037 -0.149 0.000 0.824 498 A CB -0.088 18.613 19.000 -0.499 0.000 0.879 498 A HN 0.063 nan 8.150 nan 0.000 0.480 499 K N -0.262 120.187 120.400 0.081 0.000 2.211 499 K HA -0.163 4.005 4.320 -0.253 0.000 0.204 499 K C 1.877 178.545 176.600 0.113 0.000 1.047 499 K CA 1.776 58.144 56.287 0.135 0.000 0.935 499 K CB -0.048 32.504 32.500 0.087 0.000 0.728 499 K HN 0.634 nan 8.250 nan 0.000 0.452 500 Q N -1.397 118.459 119.800 0.093 0.000 2.423 500 Q HA 0.064 4.252 4.340 -0.253 0.000 0.231 500 Q C 1.161 177.220 176.000 0.098 0.000 0.894 500 Q CA 0.426 56.280 55.803 0.085 0.000 0.938 500 Q CB 0.527 29.305 28.738 0.067 0.000 1.079 500 Q HN 0.246 nan 8.270 nan 0.000 0.552 501 N N -0.462 118.314 118.700 0.127 0.000 2.436 501 N HA -0.078 4.511 4.740 -0.253 0.000 0.178 501 N C 0.967 176.598 175.510 0.202 0.000 1.026 501 N CA 0.383 53.515 53.050 0.137 0.000 0.880 501 N CB -0.198 38.363 38.487 0.125 0.000 1.061 501 N HN 0.175 nan 8.380 nan 0.000 0.434 502 W N 2.266 123.592 121.300 0.044 0.000 2.338 502 W HA 0.036 4.543 4.660 -0.254 0.000 0.325 502 W C 0.521 176.992 176.519 -0.080 0.000 1.206 502 W CA 1.081 58.406 57.345 -0.032 0.000 1.257 502 W CB -0.560 28.745 29.460 -0.257 0.000 1.184 502 W HN -0.028 nan 8.180 nan 0.000 0.456 503 K N 0.000 120.468 120.400 0.114 0.000 2.780 503 K HA 0.000 4.168 4.320 -0.253 0.000 0.191 503 K CA 0.000 56.307 56.287 0.033 0.000 0.838 503 K CB 0.000 32.541 32.500 0.067 0.000 1.064 503 K HN 0.000 nan 8.250 nan 0.000 0.543