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 3hxm_1_A DATA FIRST_RESID 5 DATA SEQUENCE GKTEVFLNRF ALRPLNPEEL RPWRLEVVLD PPPGREEVYP LLAQVARRAG DATA SEQUENCE GVTVRMGDGL ASWSPPEVLV LEGTLARMGQ TYAYRLYPKG RRPLDPKDPG DATA SEQUENCE ERSVLSALAR RLLQERLRRL EGVWVEGLAV YRREHARGPG WRVLGGAVLD DATA SEQUENCE LWVSDSGAFL LEVDPAYRIL CEMSLEAWLA QGHPLPKRVR NAYDRRTWEL DATA SEQUENCE LRLGEEDPXX XXXXXXXSLL DYHASKGRXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXVPV LTLEDLHEXX XXXALSLPWE ERRRRTREIA SWIGRRLGLG DATA SEQUENCE TPEAVRAQAY RLSIPKLMGR RAVSKPADAL RVGFYRAQET ALALLRLDGA DATA SEQUENCE QGWPEFLRRA LLRAFGASGA SLRLHTLHAH PSQGLAFREA LRKAKEEGVQ DATA SEQUENCE AVLVLTPPMA WEDRNRLKAL LLREGLPSQI LNVPLREEER HRWENALLGL DATA SEQUENCE LAKAGLQVVA LSGAYPAELA VGFDAGGRES FRFGGAACAV GGXGGHLLWT DATA SEQUENCE LPEAQAGERI PQEVVWDLLE ETLWAFRRKA GRLPSRVLLL RDGRVPQDEF DATA SEQUENCE ALALEALARE GIAYDLVSVR KSGGGRVYPV QGRLADGLYV PLEDKTFLLL DATA SEQUENCE TVHRDFRGTP RPLKLVHEAG DTPLEALAHQ IFHLTRLYPA SGFAFPRLPA DATA SEQUENCE PLHLADRLVK EVGRLGIRHL KEVDREKLFF V 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 5 G C 0.000 174.920 174.900 0.033 0.000 0.946 5 G CA 0.000 45.129 45.100 0.049 0.000 0.502 6 K N 0.595 120.985 120.400 -0.015 0.000 2.389 6 K HA 0.837 5.158 4.320 0.002 0.000 0.261 6 K C 0.213 176.715 176.600 -0.163 0.000 1.014 6 K CA -0.173 56.043 56.287 -0.118 0.000 0.920 6 K CB 0.867 33.326 32.500 -0.069 0.000 1.149 6 K HN 0.477 nan 8.250 nan 0.000 0.444 7 T N -0.321 114.096 114.554 -0.228 0.000 2.949 7 T HA 0.595 4.946 4.350 0.002 0.000 0.287 7 T C -0.609 173.932 174.700 -0.266 0.000 1.034 7 T CA -0.790 61.188 62.100 -0.203 0.000 1.018 7 T CB 1.545 70.311 68.868 -0.170 0.000 1.135 7 T HN 0.609 nan 8.240 nan 0.000 0.532 8 E N 0.449 120.503 120.200 -0.243 0.000 2.212 8 E HA 0.627 4.978 4.350 0.002 0.000 0.268 8 E C -1.152 175.253 176.600 -0.325 0.000 0.902 8 E CA -0.918 55.316 56.400 -0.276 0.000 0.779 8 E CB 1.602 31.151 29.700 -0.252 0.000 1.172 8 E HN 0.604 nan 8.360 nan 0.000 0.409 9 V N -0.107 119.614 119.914 -0.322 0.000 3.130 9 V HA 0.647 4.768 4.120 0.002 0.000 0.310 9 V C -1.105 174.833 176.094 -0.259 0.000 1.158 9 V CA -0.966 61.141 62.300 -0.322 0.000 1.029 9 V CB 1.316 33.013 31.823 -0.209 0.000 1.057 9 V HN 0.519 nan 8.190 nan 0.000 0.436 10 F N 1.207 121.151 119.950 -0.009 0.000 2.425 10 F HA 0.810 5.338 4.527 0.001 0.000 0.331 10 F C 0.092 175.902 175.800 0.017 0.000 1.085 10 F CA -1.158 56.844 58.000 0.004 0.000 1.028 10 F CB 1.589 40.628 39.000 0.065 0.000 1.177 10 F HN 0.373 nan 8.300 nan 0.000 0.487 11 L N 2.475 123.811 121.223 0.189 0.000 2.342 11 L HA 0.374 4.715 4.340 0.002 0.000 0.271 11 L C 0.599 177.528 176.870 0.098 0.000 1.008 11 L CA -0.990 53.907 54.840 0.095 0.000 0.818 11 L CB 1.648 43.742 42.059 0.059 0.000 1.296 11 L HN 0.580 nan 8.230 nan 0.000 0.427 12 N N 1.640 120.458 118.700 0.195 0.000 2.530 12 N HA -0.023 4.718 4.740 0.002 0.000 0.216 12 N C -0.102 175.603 175.510 0.325 0.000 1.315 12 N CA 0.086 53.337 53.050 0.334 0.000 0.858 12 N CB -0.133 38.600 38.487 0.409 0.000 1.138 12 N HN 0.550 nan 8.380 nan 0.000 0.473 13 R N 0.073 120.644 120.500 0.117 0.000 2.532 13 R HA 0.441 4.781 4.340 0.002 0.000 0.295 13 R C -1.027 175.236 176.300 -0.060 0.000 0.968 13 R CA -0.553 55.628 56.100 0.135 0.000 0.916 13 R CB 1.006 31.384 30.300 0.129 0.000 1.124 13 R HN -0.001 nan 8.270 nan 0.000 0.463 14 F N 0.975 120.880 119.950 -0.075 0.000 2.507 14 F HA 0.402 4.930 4.527 0.001 0.000 0.328 14 F C 0.306 176.059 175.800 -0.079 0.000 1.136 14 F CA -0.956 57.004 58.000 -0.066 0.000 0.930 14 F CB 1.864 40.818 39.000 -0.076 0.000 1.166 14 F HN 0.541 nan 8.300 nan 0.000 0.436 15 A N 5.019 127.874 122.820 0.059 0.000 2.450 15 A HA 0.668 4.988 4.320 0.002 0.000 0.255 15 A C -0.439 177.183 177.584 0.063 0.000 1.096 15 A CA 0.086 52.149 52.037 0.044 0.000 0.778 15 A CB 0.213 19.230 19.000 0.028 0.000 1.031 15 A HN 0.861 nan 8.150 nan 0.000 0.494 16 L N 1.252 122.517 121.223 0.069 0.000 2.177 16 L HA 0.566 4.907 4.340 0.002 0.000 0.255 16 L C 0.856 177.794 176.870 0.112 0.000 1.065 16 L CA -1.245 53.640 54.840 0.075 0.000 0.982 16 L CB 0.559 42.646 42.059 0.047 0.000 1.559 16 L HN 0.806 nan 8.230 nan 0.000 0.492 17 R N 1.353 121.930 120.500 0.128 0.000 2.623 17 R HA 0.147 4.488 4.340 0.002 0.000 0.271 17 R C -2.563 173.860 176.300 0.205 0.000 1.043 17 R CA -1.025 55.161 56.100 0.144 0.000 1.083 17 R CB 0.618 30.982 30.300 0.106 0.000 0.974 17 R HN 0.136 nan 8.270 nan 0.000 0.436 18 P HA 0.050 nan 4.420 nan 0.000 0.271 18 P C -0.743 176.537 177.300 -0.033 0.000 1.220 18 P CA -0.308 62.792 63.100 0.001 0.000 0.768 18 P CB 0.451 32.147 31.700 -0.007 0.000 0.848 19 L N 3.953 125.067 121.223 -0.181 0.000 2.615 19 L HA 0.002 4.343 4.340 0.002 0.000 0.271 19 L C 1.300 178.094 176.870 -0.128 0.000 1.183 19 L CA 0.552 55.257 54.840 -0.225 0.000 0.933 19 L CB -1.168 40.677 42.059 -0.357 0.000 1.199 19 L HN 0.440 nan 8.230 nan 0.000 0.487 20 N N 4.898 123.533 118.700 -0.108 0.000 2.260 20 N HA 0.071 4.812 4.740 0.002 0.000 0.230 20 N C -2.009 173.427 175.510 -0.123 0.000 1.323 20 N CA -1.010 51.978 53.050 -0.103 0.000 0.897 20 N CB -0.154 38.271 38.487 -0.104 0.000 1.146 20 N HN 0.255 nan 8.380 nan 0.000 0.460 21 P HA -0.092 nan 4.420 nan 0.000 0.221 21 P C 0.381 177.600 177.300 -0.135 0.000 1.145 21 P CA 1.316 64.355 63.100 -0.101 0.000 0.795 21 P CB 0.152 31.803 31.700 -0.081 0.000 0.775 22 E N -0.635 119.459 120.200 -0.175 0.000 2.122 22 E HA -0.093 4.258 4.350 0.002 0.000 0.190 22 E C 1.793 178.225 176.600 -0.280 0.000 0.977 22 E CA 0.828 57.090 56.400 -0.231 0.000 0.820 22 E CB -0.564 29.001 29.700 -0.224 0.000 0.770 22 E HN 0.347 nan 8.360 nan 0.000 0.462 23 E N 0.148 120.127 120.200 -0.368 0.000 2.208 23 E HA -0.052 4.299 4.350 0.002 0.000 0.193 23 E C 1.612 178.248 176.600 0.060 0.000 0.988 23 E CA 0.479 56.556 56.400 -0.538 0.000 0.828 23 E CB 0.054 29.297 29.700 -0.761 0.000 0.763 23 E HN 0.215 nan 8.360 nan 0.000 0.478 24 L N 0.130 121.344 121.223 -0.014 0.000 2.313 24 L HA 0.011 4.352 4.340 0.002 0.000 0.214 24 L C 0.652 177.551 176.870 0.047 0.000 1.119 24 L CA 0.622 55.487 54.840 0.041 0.000 0.809 24 L CB 0.123 42.168 42.059 -0.024 0.000 0.933 24 L HN -0.090 nan 8.230 nan 0.000 0.449 25 R N 0.517 121.017 120.500 -0.000 0.000 2.724 25 R HA 0.260 4.601 4.340 0.002 0.000 0.284 25 R C -2.467 173.781 176.300 -0.087 0.000 1.481 25 R CA -1.614 54.456 56.100 -0.050 0.000 1.652 25 R CB 0.399 30.629 30.300 -0.117 0.000 1.175 25 R HN -0.028 nan 8.270 nan 0.000 0.613 26 P HA -0.032 nan 4.420 nan 0.000 0.272 26 P C -0.453 176.835 177.300 -0.019 0.000 1.240 26 P CA -0.299 62.870 63.100 0.115 0.000 0.791 26 P CB 0.718 32.556 31.700 0.229 0.000 0.978 27 W N 0.773 122.161 121.300 0.148 0.000 2.137 27 W HA 0.279 4.940 4.660 0.001 0.000 0.344 27 W C 1.377 177.933 176.519 0.062 0.000 1.286 27 W CA -0.083 57.316 57.345 0.091 0.000 1.240 27 W CB 0.211 29.722 29.460 0.086 0.000 1.141 27 W HN 0.228 nan 8.180 nan 0.000 0.579 28 R N 2.551 123.238 120.500 0.312 0.000 2.388 28 R HA 0.414 4.755 4.340 0.002 0.000 0.314 28 R C -1.662 174.738 176.300 0.167 0.000 0.959 28 R CA -0.750 55.458 56.100 0.180 0.000 0.851 28 R CB 0.391 30.764 30.300 0.123 0.000 1.168 28 R HN 0.386 nan 8.270 nan 0.000 0.472 29 L N 2.431 123.734 121.223 0.133 0.000 2.331 29 L HA 0.464 4.805 4.340 0.002 0.000 0.275 29 L C 0.410 177.347 176.870 0.112 0.000 1.022 29 L CA -0.326 54.588 54.840 0.123 0.000 0.812 29 L CB 1.462 43.583 42.059 0.103 0.000 1.257 29 L HN 0.532 nan 8.230 nan 0.000 0.435 30 E N 0.709 120.997 120.200 0.146 0.000 2.242 30 E HA 0.612 4.963 4.350 0.002 0.000 0.275 30 E C -1.478 175.231 176.600 0.182 0.000 1.002 30 E CA -0.597 55.880 56.400 0.129 0.000 0.841 30 E CB 1.961 31.723 29.700 0.103 0.000 1.109 30 E HN 0.329 nan 8.360 nan 0.000 0.394 31 V N 3.533 123.529 119.914 0.137 0.000 2.487 31 V HA 0.272 4.393 4.120 0.002 0.000 0.298 31 V C -0.478 175.709 176.094 0.154 0.000 1.028 31 V CA -0.814 61.586 62.300 0.166 0.000 0.860 31 V CB 1.730 33.618 31.823 0.109 0.000 0.991 31 V HN 0.400 nan 8.190 nan 0.000 0.427 32 V N 6.623 126.667 119.914 0.216 0.000 2.357 32 V HA 0.502 4.623 4.120 0.002 0.000 0.284 32 V C -0.188 176.010 176.094 0.173 0.000 1.018 32 V CA -0.384 62.019 62.300 0.171 0.000 0.841 32 V CB 1.394 33.343 31.823 0.210 0.000 0.991 32 V HN 0.635 nan 8.190 nan 0.000 0.437 33 L N 3.885 125.192 121.223 0.140 0.000 2.331 33 L HA 0.712 5.053 4.340 0.002 0.000 0.275 33 L C -0.770 176.200 176.870 0.167 0.000 1.022 33 L CA -0.429 54.509 54.840 0.164 0.000 0.812 33 L CB 2.051 44.181 42.059 0.118 0.000 1.257 33 L HN 0.612 nan 8.230 nan 0.000 0.435 34 D N 3.468 123.988 120.400 0.201 0.000 2.686 34 D HA 0.409 5.050 4.640 0.002 0.000 0.249 34 D C -2.704 173.701 176.300 0.175 0.000 1.260 34 D CA -1.298 52.795 54.000 0.156 0.000 0.910 34 D CB 2.447 43.309 40.800 0.104 0.000 1.323 34 D HN 0.086 nan 8.370 nan 0.000 0.561 35 P HA 0.411 nan 4.420 nan 0.000 0.285 35 P C -2.631 174.805 177.300 0.225 0.000 1.269 35 P CA -1.921 61.258 63.100 0.131 0.000 0.844 35 P CB 0.482 32.208 31.700 0.045 0.000 1.094 36 P HA -0.058 nan 4.420 nan 0.000 0.253 36 P C -1.127 176.276 177.300 0.172 0.000 1.159 36 P CA -0.214 62.966 63.100 0.133 0.000 0.779 36 P CB -0.546 31.204 31.700 0.084 0.000 0.745 37 P HA -0.154 nan 4.420 nan 0.000 0.208 37 P C 0.274 177.638 177.300 0.107 0.000 1.180 37 P CA 1.568 64.742 63.100 0.124 0.000 0.935 37 P CB -0.198 31.481 31.700 -0.034 0.000 0.785 38 G N -2.810 106.025 108.800 0.059 0.000 3.101 38 G HA2 0.249 4.210 3.960 0.002 0.000 0.672 38 G HA3 0.249 4.210 3.960 0.002 0.000 0.672 38 G C 0.664 175.574 174.900 0.016 0.000 1.331 38 G CA 0.489 45.615 45.100 0.043 0.000 0.925 38 G HN 0.273 nan 8.290 nan 0.000 0.596 39 R N -0.050 120.451 120.500 0.002 0.000 2.386 39 R HA -0.127 4.214 4.340 0.002 0.000 0.252 39 R C 2.294 178.555 176.300 -0.063 0.000 1.058 39 R CA 3.931 60.013 56.100 -0.030 0.000 0.938 39 R CB -1.763 28.520 30.300 -0.030 0.000 0.931 39 R HN 2.506 nan 8.270 nan 0.000 0.455 40 E N -1.293 118.882 120.200 -0.041 0.000 2.501 40 E HA 0.466 4.817 4.350 0.002 0.000 0.201 40 E C 1.513 178.099 176.600 -0.023 0.000 1.016 40 E CA 1.071 57.438 56.400 -0.055 0.000 0.920 40 E CB -0.218 29.460 29.700 -0.037 0.000 1.023 40 E HN 1.008 nan 8.360 nan 0.000 0.474 41 E N -0.593 119.604 120.200 -0.005 0.000 2.539 41 E HA 0.386 4.737 4.350 0.002 0.000 0.215 41 E C 1.952 178.543 176.600 -0.014 0.000 0.965 41 E CA 0.824 57.224 56.400 0.000 0.000 1.019 41 E CB -0.176 29.533 29.700 0.016 0.000 1.059 41 E HN 0.505 nan 8.360 nan 0.000 0.496 42 V N -0.445 119.478 119.914 0.014 0.000 2.295 42 V HA -0.219 3.902 4.120 0.002 0.000 0.246 42 V C 2.170 178.353 176.094 0.148 0.000 1.049 42 V CA 2.053 64.383 62.300 0.050 0.000 1.024 42 V CB -0.637 31.242 31.823 0.093 0.000 0.648 42 V HN 0.638 nan 8.190 nan 0.000 0.447 43 Y N 0.808 121.078 120.300 -0.051 0.000 2.145 43 Y HA -0.000 4.550 4.550 0.001 0.000 0.286 43 Y C 0.321 176.186 175.900 -0.057 0.000 1.145 43 Y CA 1.587 59.660 58.100 -0.045 0.000 1.148 43 Y CB -2.298 36.145 38.460 -0.030 0.000 0.981 43 Y HN 0.386 nan 8.280 nan 0.000 0.507 44 P HA -0.177 nan 4.420 nan 0.000 0.215 44 P C 1.948 179.225 177.300 -0.038 0.000 1.153 44 P CA 1.541 64.656 63.100 0.025 0.000 0.853 44 P CB -0.089 31.622 31.700 0.018 0.000 0.788 45 L N -1.466 119.711 121.223 -0.076 0.000 1.994 45 L HA -0.194 4.147 4.340 0.002 0.000 0.208 45 L C 2.462 179.251 176.870 -0.136 0.000 1.071 45 L CA 1.432 56.180 54.840 -0.153 0.000 0.745 45 L CB -0.942 40.956 42.059 -0.267 0.000 0.892 45 L HN -0.054 nan 8.230 nan 0.000 0.431 46 L N -0.733 120.427 121.223 -0.105 0.000 2.043 46 L HA -0.275 4.066 4.340 0.002 0.000 0.212 46 L C 2.786 179.580 176.870 -0.127 0.000 1.075 46 L CA 1.349 56.120 54.840 -0.115 0.000 0.752 46 L CB -0.683 41.300 42.059 -0.127 0.000 0.891 46 L HN 0.296 nan 8.230 nan 0.000 0.432 47 A N -0.763 121.990 122.820 -0.112 0.000 1.902 47 A HA -0.279 4.042 4.320 0.002 0.000 0.217 47 A C 2.237 179.762 177.584 -0.099 0.000 1.181 47 A CA 1.751 53.728 52.037 -0.099 0.000 0.623 47 A CB -0.566 18.392 19.000 -0.070 0.000 0.818 47 A HN 0.507 nan 8.150 nan 0.000 0.443 48 Q N -0.389 119.350 119.800 -0.102 0.000 2.436 48 Q HA -0.035 4.306 4.340 0.002 0.000 0.209 48 Q C 1.446 177.343 176.000 -0.171 0.000 0.965 48 Q CA 1.176 56.914 55.803 -0.108 0.000 0.910 48 Q CB -0.034 28.650 28.738 -0.090 0.000 0.980 48 Q HN 0.439 nan 8.270 nan 0.000 0.491 49 V N -0.020 119.767 119.914 -0.211 0.000 2.575 49 V HA -0.026 4.095 4.120 0.002 0.000 0.242 49 V C 2.195 178.134 176.094 -0.258 0.000 1.045 49 V CA 1.230 63.322 62.300 -0.346 0.000 1.065 49 V CB -0.317 31.303 31.823 -0.337 0.000 0.717 49 V HN 0.435 nan 8.190 nan 0.000 0.467 50 A N 0.146 122.870 122.820 -0.159 0.000 1.978 50 A HA -0.254 4.067 4.320 0.002 0.000 0.220 50 A C 2.316 179.846 177.584 -0.090 0.000 1.170 50 A CA 2.034 54.007 52.037 -0.106 0.000 0.636 50 A CB -0.432 18.514 19.000 -0.090 0.000 0.810 50 A HN 0.488 nan 8.150 nan 0.000 0.448 51 R N -1.122 119.319 120.500 -0.099 0.000 2.062 51 R HA 0.024 4.365 4.340 0.002 0.000 0.226 51 R C 2.483 178.739 176.300 -0.072 0.000 1.125 51 R CA 0.973 57.031 56.100 -0.071 0.000 0.966 51 R CB -0.196 30.067 30.300 -0.061 0.000 0.861 51 R HN 0.335 nan 8.270 nan 0.000 0.433 52 R N 0.310 120.738 120.500 -0.121 0.000 2.083 52 R HA -0.094 4.247 4.340 0.002 0.000 0.237 52 R C 2.199 178.473 176.300 -0.042 0.000 1.137 52 R CA 1.550 57.588 56.100 -0.104 0.000 0.951 52 R CB -0.810 29.353 30.300 -0.228 0.000 0.851 52 R HN 0.249 nan 8.270 nan 0.000 0.434 53 A N 0.509 123.288 122.820 -0.070 0.000 1.927 53 A HA -0.047 4.274 4.320 0.002 0.000 0.220 53 A C 1.220 178.821 177.584 0.029 0.000 1.185 53 A CA 1.988 54.042 52.037 0.030 0.000 0.639 53 A CB -0.736 18.273 19.000 0.016 0.000 0.820 53 A HN 0.597 nan 8.150 nan 0.000 0.451 54 G N -3.756 105.047 108.800 0.004 0.000 2.685 54 G HA2 0.442 4.403 3.960 0.002 0.000 0.387 54 G HA3 0.442 4.403 3.960 0.002 0.000 0.387 54 G C 0.932 175.844 174.900 0.021 0.000 1.324 54 G CA 0.235 45.342 45.100 0.011 0.000 0.878 54 G HN 2.537 nan 8.290 nan 0.000 0.527 55 G N -2.495 106.323 108.800 0.029 0.000 2.697 55 G HA2 0.152 4.113 3.960 0.002 0.000 0.240 55 G HA3 0.152 4.113 3.960 0.002 0.000 0.240 55 G C 0.330 175.266 174.900 0.059 0.000 1.346 55 G CA 0.442 45.573 45.100 0.051 0.000 0.887 55 G HN 2.032 nan 8.290 nan 0.000 0.569 56 V N 2.242 122.219 119.914 0.104 0.000 2.096 56 V HA 0.504 4.625 4.120 0.002 0.000 0.259 56 V C 1.088 177.214 176.094 0.053 0.000 1.420 56 V CA 0.930 63.293 62.300 0.105 0.000 1.336 56 V CB -0.462 31.500 31.823 0.232 0.000 1.394 56 V HN 1.274 nan 8.190 nan 0.000 0.494 57 T N 1.283 115.840 114.554 0.006 0.000 2.841 57 T HA 0.796 5.147 4.350 0.002 0.000 0.283 57 T C -0.592 174.066 174.700 -0.070 0.000 1.000 57 T CA -0.507 61.577 62.100 -0.027 0.000 0.977 57 T CB 1.991 70.863 68.868 0.007 0.000 0.979 57 T HN 0.386 nan 8.240 nan 0.000 0.446 58 V N 1.125 120.975 119.914 -0.106 0.000 3.126 58 V HA 0.728 4.849 4.120 0.002 0.000 0.314 58 V C -0.031 175.996 176.094 -0.112 0.000 1.138 58 V CA -1.647 60.584 62.300 -0.114 0.000 1.034 58 V CB 1.830 33.566 31.823 -0.143 0.000 1.075 58 V HN 1.159 nan 8.190 nan 0.000 0.442 59 R N 2.092 122.517 120.500 -0.124 0.000 2.340 59 R HA 0.546 4.887 4.340 0.002 0.000 0.300 59 R C -0.813 175.393 176.300 -0.156 0.000 1.069 59 R CA -0.418 55.593 56.100 -0.147 0.000 0.984 59 R CB 0.811 30.993 30.300 -0.196 0.000 1.003 59 R HN 0.988 nan 8.270 nan 0.000 0.459 60 M N 6.013 125.533 119.600 -0.134 0.000 2.035 60 M HA 0.237 4.718 4.480 0.002 0.000 0.286 60 M C -0.081 176.156 176.300 -0.104 0.000 0.907 60 M CA 0.341 55.574 55.300 -0.112 0.000 0.935 60 M CB 1.113 33.670 32.600 -0.071 0.000 1.557 60 M HN 0.988 nan 8.290 nan 0.000 0.426 61 G N 4.171 112.888 108.800 -0.138 0.000 2.552 61 G HA2 -0.276 3.685 3.960 0.002 0.000 0.267 61 G HA3 -0.276 3.685 3.960 0.002 0.000 0.267 61 G C -0.167 174.652 174.900 -0.135 0.000 1.174 61 G CA 0.488 45.534 45.100 -0.090 0.000 0.955 61 G HN 0.662 nan 8.290 nan 0.000 0.546 62 D N 1.656 122.032 120.400 -0.040 0.000 2.398 62 D HA 0.489 5.130 4.640 0.002 0.000 0.210 62 D C 0.874 177.161 176.300 -0.021 0.000 1.094 62 D CA 1.342 55.337 54.000 -0.009 0.000 0.839 62 D CB 0.670 41.505 40.800 0.057 0.000 0.963 62 D HN 0.769 nan 8.370 nan 0.000 0.506 63 G N -0.021 108.759 108.800 -0.033 0.000 2.766 63 G HA2 0.594 4.555 3.960 0.002 0.000 0.288 63 G HA3 0.594 4.555 3.960 0.002 0.000 0.288 63 G C -1.250 173.631 174.900 -0.031 0.000 1.408 63 G CA -0.742 44.353 45.100 -0.008 0.000 0.852 63 G HN 0.019 nan 8.290 nan 0.000 0.487 64 L N -1.552 119.666 121.223 -0.008 0.000 2.322 64 L HA 0.941 5.282 4.340 0.002 0.000 0.269 64 L C 0.147 177.025 176.870 0.014 0.000 1.012 64 L CA -1.227 53.599 54.840 -0.023 0.000 0.815 64 L CB 0.817 42.854 42.059 -0.038 0.000 1.295 64 L HN 0.774 nan 8.230 nan 0.000 0.438 65 A N 0.921 123.735 122.820 -0.010 0.000 2.294 65 A HA 0.786 5.107 4.320 0.002 0.000 0.330 65 A C -0.087 177.513 177.584 0.027 0.000 1.133 65 A CA -0.379 51.673 52.037 0.025 0.000 0.836 65 A CB 1.503 20.484 19.000 -0.030 0.000 1.190 65 A HN 0.880 nan 8.150 nan 0.000 0.492 66 S N -1.120 114.667 115.700 0.144 0.000 2.651 66 S HA 0.647 5.118 4.470 0.002 0.000 0.279 66 S C -1.164 173.686 174.600 0.417 0.000 1.148 66 S CA -0.326 57.991 58.200 0.196 0.000 0.837 66 S CB 0.816 64.159 63.200 0.238 0.000 1.138 66 S HN 0.699 nan 8.310 nan 0.000 0.478 67 W N 1.130 122.554 121.300 0.208 0.000 2.725 67 W HA 0.470 5.132 4.660 0.003 0.000 0.336 67 W C 0.355 177.014 176.519 0.232 0.000 1.012 67 W CA -0.438 57.022 57.345 0.193 0.000 1.566 67 W CB -0.405 29.125 29.460 0.117 0.000 1.068 67 W HN 0.470 nan 8.180 nan 0.000 0.546 68 S N 2.970 118.916 115.700 0.411 0.000 2.554 68 S HA 0.333 4.804 4.470 0.002 0.000 0.278 68 S C -2.246 172.472 174.600 0.197 0.000 1.242 68 S CA -0.955 57.395 58.200 0.250 0.000 1.051 68 S CB 1.207 64.495 63.200 0.147 0.000 0.986 68 S HN -0.184 nan 8.310 nan 0.000 0.502 69 P HA 0.068 nan 4.420 nan 0.000 0.262 69 P C -2.322 174.822 177.300 -0.260 0.000 1.182 69 P CA -0.931 62.118 63.100 -0.085 0.000 0.761 69 P CB -0.044 31.638 31.700 -0.030 0.000 0.795 70 P HA -0.188 nan 4.420 nan 0.000 0.220 70 P C 1.242 178.395 177.300 -0.245 0.000 1.144 70 P CA 1.555 64.408 63.100 -0.411 0.000 0.800 70 P CB 0.019 31.359 31.700 -0.600 0.000 0.772 71 E N -0.677 119.382 120.200 -0.235 0.000 2.072 71 E HA -0.127 4.224 4.350 0.002 0.000 0.191 71 E C 1.884 178.429 176.600 -0.092 0.000 0.985 71 E CA 1.431 57.743 56.400 -0.147 0.000 0.801 71 E CB -0.821 28.802 29.700 -0.127 0.000 0.750 71 E HN 0.200 nan 8.360 nan 0.000 0.452 72 V N -0.418 119.452 119.914 -0.073 0.000 3.141 72 V HA 0.013 4.134 4.120 0.002 0.000 0.265 72 V C 0.856 176.936 176.094 -0.024 0.000 1.126 72 V CA 0.507 62.785 62.300 -0.036 0.000 1.141 72 V CB -0.820 30.994 31.823 -0.014 0.000 0.743 72 V HN 0.033 nan 8.190 nan 0.000 0.492 73 L N 0.827 122.031 121.223 -0.032 0.000 2.395 73 L HA 0.327 4.668 4.340 0.002 0.000 0.269 73 L C 0.173 177.045 176.870 0.004 0.000 1.133 73 L CA -0.574 54.263 54.840 -0.005 0.000 0.812 73 L CB 1.367 43.425 42.059 -0.002 0.000 1.125 73 L HN -0.047 nan 8.230 nan 0.000 0.452 74 V N 4.939 124.878 119.914 0.043 0.000 2.377 74 V HA -0.027 4.094 4.120 0.002 0.000 0.254 74 V C 1.374 177.522 176.094 0.090 0.000 1.060 74 V CA 0.151 62.487 62.300 0.061 0.000 1.068 74 V CB 0.178 32.068 31.823 0.112 0.000 1.113 74 V HN 0.650 nan 8.190 nan 0.000 0.484 75 L N 3.191 124.396 121.223 -0.029 0.000 2.362 75 L HA 0.054 4.395 4.340 0.002 0.000 0.219 75 L C 0.901 177.568 176.870 -0.338 0.000 1.134 75 L CA 1.198 55.973 54.840 -0.107 0.000 0.807 75 L CB -0.054 41.911 42.059 -0.156 0.000 0.927 75 L HN 0.638 nan 8.230 nan 0.000 0.447 76 E N -1.793 118.147 120.200 -0.433 0.000 2.416 76 E HA 0.701 5.052 4.350 0.002 0.000 0.273 76 E C -0.398 175.808 176.600 -0.657 0.000 0.935 76 E CA -0.332 55.651 56.400 -0.694 0.000 0.784 76 E CB 2.404 31.887 29.700 -0.363 0.000 1.301 76 E HN 0.016 nan 8.360 nan 0.000 0.454 77 G N 0.016 108.436 108.800 -0.635 0.000 2.356 77 G HA2 0.338 4.299 3.960 0.002 0.000 0.288 77 G HA3 0.338 4.299 3.960 0.002 0.000 0.288 77 G C -1.166 173.824 174.900 0.150 0.000 1.302 77 G CA -0.270 44.766 45.100 -0.106 0.000 0.887 77 G HN 0.643 nan 8.290 nan 0.000 0.521 78 T N -1.693 113.006 114.554 0.241 0.000 2.916 78 T HA 0.872 5.223 4.350 0.002 0.000 0.292 78 T C -0.275 174.548 174.700 0.205 0.000 1.055 78 T CA -0.237 62.003 62.100 0.233 0.000 1.009 78 T CB 1.846 70.789 68.868 0.125 0.000 1.118 78 T HN 1.940 nan 8.240 nan 0.000 0.497 79 L N -1.432 119.904 121.223 0.189 0.000 2.518 79 L HA 0.981 5.322 4.340 0.002 0.000 0.257 79 L C -1.207 175.770 176.870 0.179 0.000 0.980 79 L CA -1.623 53.299 54.840 0.136 0.000 0.837 79 L CB 1.586 43.686 42.059 0.069 0.000 1.410 79 L HN 0.992 nan 8.230 nan 0.000 0.410 80 A N 0.935 123.834 122.820 0.132 0.000 2.350 80 A HA 1.063 5.384 4.320 0.002 0.000 0.324 80 A C -0.309 177.361 177.584 0.143 0.000 1.118 80 A CA -0.126 51.994 52.037 0.139 0.000 0.783 80 A CB 1.677 20.719 19.000 0.071 0.000 1.236 80 A HN 1.263 nan 8.150 nan 0.000 0.457 81 R N 0.724 121.342 120.500 0.197 0.000 2.508 81 R HA 0.773 5.114 4.340 0.002 0.000 0.283 81 R C 0.290 176.680 176.300 0.150 0.000 1.120 81 R CA 0.518 56.713 56.100 0.158 0.000 0.958 81 R CB -0.290 30.098 30.300 0.148 0.000 1.215 81 R HN 2.795 nan 8.270 nan 0.000 0.427 82 M N -0.093 119.559 119.600 0.086 0.000 2.503 82 M HA 0.047 4.528 4.480 0.002 0.000 0.199 82 M C 1.608 177.939 176.300 0.052 0.000 0.466 82 M CA 2.969 58.307 55.300 0.064 0.000 0.510 82 M CB -2.510 30.131 32.600 0.069 0.000 1.858 82 M HN 3.077 nan 8.290 nan 0.000 0.799 83 G N -2.611 106.214 108.800 0.042 0.000 3.047 83 G HA2 0.066 4.027 3.960 0.002 0.000 0.203 83 G HA3 0.066 4.027 3.960 0.002 0.000 0.203 83 G C 0.003 174.894 174.900 -0.015 0.000 1.444 83 G CA 0.506 45.613 45.100 0.012 0.000 1.020 83 G HN 1.923 nan 8.290 nan 0.000 0.563 84 Q N 1.974 121.750 119.800 -0.040 0.000 2.386 84 Q HA 0.481 4.822 4.340 0.002 0.000 0.282 84 Q C 0.473 176.344 176.000 -0.216 0.000 1.050 84 Q CA 1.272 56.949 55.803 -0.210 0.000 0.918 84 Q CB 0.659 29.142 28.738 -0.425 0.000 1.266 84 Q HN 0.776 nan 8.270 nan 0.000 0.423 85 T N -0.633 113.738 114.554 -0.305 0.000 2.809 85 T HA 0.640 4.991 4.350 0.002 0.000 0.284 85 T C -1.011 173.552 174.700 -0.230 0.000 0.992 85 T CA -0.766 61.256 62.100 -0.131 0.000 0.957 85 T CB 0.362 69.201 68.868 -0.048 0.000 0.942 85 T HN 0.334 nan 8.240 nan 0.000 0.439 86 Y N 1.243 121.574 120.300 0.051 0.000 2.496 86 Y HA 0.712 5.261 4.550 -0.001 0.000 0.331 86 Y C 0.450 176.411 175.900 0.101 0.000 1.140 86 Y CA -1.352 56.789 58.100 0.069 0.000 1.166 86 Y CB 1.630 40.131 38.460 0.070 0.000 1.249 86 Y HN 0.993 nan 8.280 nan 0.000 0.479 87 A N 1.925 124.905 122.820 0.268 0.000 2.318 87 A HA 0.681 5.002 4.320 0.002 0.000 0.324 87 A C -1.602 176.130 177.584 0.245 0.000 1.170 87 A CA -0.610 51.546 52.037 0.198 0.000 0.810 87 A CB 0.049 19.109 19.000 0.100 0.000 1.198 87 A HN 0.701 nan 8.150 nan 0.000 0.484 88 Y N 1.003 121.348 120.300 0.074 0.000 2.549 88 Y HA 0.905 5.457 4.550 0.002 0.000 0.339 88 Y C -0.299 175.626 175.900 0.041 0.000 1.053 88 Y CA -1.413 56.724 58.100 0.061 0.000 1.105 88 Y CB 1.359 39.843 38.460 0.041 0.000 1.258 88 Y HN 0.621 nan 8.280 nan 0.000 0.478 89 R N 2.335 122.863 120.500 0.048 0.000 2.740 89 R HA 0.652 4.993 4.340 0.002 0.000 0.273 89 R C -2.056 174.296 176.300 0.087 0.000 0.998 89 R CA -1.006 55.044 56.100 -0.083 0.000 0.900 89 R CB 2.477 32.799 30.300 0.037 0.000 1.223 89 R HN 0.958 nan 8.270 nan 0.000 0.466 90 L N 2.596 123.760 121.223 -0.097 0.000 2.410 90 L HA 0.512 4.853 4.340 0.002 0.000 0.270 90 L C -1.449 175.326 176.870 -0.158 0.000 0.983 90 L CA -0.897 53.961 54.840 0.030 0.000 0.822 90 L CB 1.931 44.027 42.059 0.063 0.000 1.285 90 L HN 0.522 nan 8.230 nan 0.000 0.409 91 Y N 2.438 122.752 120.300 0.023 0.000 2.363 91 Y HA 0.341 4.892 4.550 0.001 0.000 0.325 91 Y C -2.208 173.705 175.900 0.022 0.000 0.984 91 Y CA -2.848 55.260 58.100 0.012 0.000 1.248 91 Y CB 1.358 39.827 38.460 0.015 0.000 1.116 91 Y HN 0.351 nan 8.280 nan 0.000 0.470 92 P HA 0.008 nan 4.420 nan 0.000 0.257 92 P C -0.101 177.279 177.300 0.134 0.000 1.359 92 P CA 0.103 63.256 63.100 0.089 0.000 1.239 92 P CB 0.190 31.878 31.700 -0.019 0.000 1.549 93 K N 3.069 123.558 120.400 0.149 0.000 3.277 93 K HA 0.241 4.562 4.320 0.002 0.000 0.280 93 K C 1.261 177.957 176.600 0.159 0.000 1.182 93 K CA 0.082 56.449 56.287 0.133 0.000 1.219 93 K CB -0.630 31.932 32.500 0.102 0.000 1.373 93 K HN 0.605 nan 8.250 nan 0.000 0.392 94 G N 1.878 110.813 108.800 0.225 0.000 2.645 94 G HA2 -0.315 3.646 3.960 0.002 0.000 0.246 94 G HA3 -0.315 3.646 3.960 0.002 0.000 0.246 94 G C -0.757 174.326 174.900 0.304 0.000 1.322 94 G CA -0.658 44.619 45.100 0.294 0.000 0.898 94 G HN 0.529 nan 8.290 nan 0.000 0.573 95 R N 0.054 120.634 120.500 0.132 0.000 2.346 95 R HA 0.567 4.908 4.340 0.002 0.000 0.311 95 R C 0.363 176.653 176.300 -0.017 0.000 0.983 95 R CA -0.756 55.316 56.100 -0.047 0.000 0.880 95 R CB 1.818 31.927 30.300 -0.319 0.000 1.100 95 R HN 0.614 nan 8.270 nan 0.000 0.453 96 R N 3.752 124.250 120.500 -0.004 0.000 2.387 96 R HA 0.382 4.723 4.340 0.002 0.000 0.314 96 R C -2.595 173.700 176.300 -0.009 0.000 0.958 96 R CA -1.894 54.208 56.100 0.004 0.000 0.846 96 R CB 1.650 31.965 30.300 0.025 0.000 1.147 96 R HN 0.304 nan 8.270 nan 0.000 0.447 97 P HA 0.156 nan 4.420 nan 0.000 0.280 97 P C -1.202 176.099 177.300 0.001 0.000 1.244 97 P CA -0.418 62.675 63.100 -0.011 0.000 0.784 97 P CB 0.791 32.481 31.700 -0.017 0.000 0.913 98 L N 3.267 124.496 121.223 0.009 0.000 2.334 98 L HA 0.465 4.806 4.340 0.002 0.000 0.276 98 L C -0.041 176.833 176.870 0.007 0.000 1.014 98 L CA -0.264 54.583 54.840 0.011 0.000 0.815 98 L CB 1.413 43.485 42.059 0.021 0.000 1.268 98 L HN 0.264 nan 8.230 nan 0.000 0.428 99 D N 4.059 124.462 120.400 0.004 0.000 2.414 99 D HA 0.381 5.022 4.640 0.002 0.000 0.232 99 D C -1.738 174.565 176.300 0.005 0.000 1.070 99 D CA -1.985 52.016 54.000 0.002 0.000 0.839 99 D CB 2.001 42.802 40.800 0.001 0.000 1.079 99 D HN 0.192 nan 8.370 nan 0.000 0.521 100 P HA -0.236 nan 4.420 nan 0.000 0.217 100 P C 1.024 178.331 177.300 0.012 0.000 1.148 100 P CA 0.977 64.083 63.100 0.011 0.000 0.834 100 P CB 0.406 32.110 31.700 0.006 0.000 0.783 101 K N 0.188 120.593 120.400 0.008 0.000 2.032 101 K HA -0.140 4.181 4.320 0.002 0.000 0.209 101 K C 0.792 177.397 176.600 0.007 0.000 1.048 101 K CA 0.950 57.242 56.287 0.008 0.000 0.927 101 K CB -1.247 31.256 32.500 0.005 0.000 0.712 101 K HN 0.231 nan 8.250 nan 0.000 0.441 102 D N 1.755 122.158 120.400 0.005 0.000 2.346 102 D HA 0.005 4.646 4.640 0.002 0.000 0.260 102 D C -1.593 174.709 176.300 0.003 0.000 1.252 102 D CA -1.924 52.079 54.000 0.004 0.000 0.895 102 D CB 1.227 42.029 40.800 0.004 0.000 1.097 102 D HN -0.087 nan 8.370 nan 0.000 0.489 103 P HA -0.155 nan 4.420 nan 0.000 0.216 103 P C 1.430 178.727 177.300 -0.005 0.000 1.153 103 P CA 1.522 64.621 63.100 -0.002 0.000 0.858 103 P CB 0.016 31.714 31.700 -0.004 0.000 0.789 104 G N 0.127 108.926 108.800 -0.002 0.000 2.459 104 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 104 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 104 G C 1.553 176.449 174.900 -0.006 0.000 1.183 104 G CA 0.780 45.879 45.100 -0.002 0.000 0.776 104 G HN 0.310 nan 8.290 nan 0.000 0.552 105 E N -0.075 120.123 120.200 -0.004 0.000 2.072 105 E HA -0.095 4.256 4.350 0.002 0.000 0.191 105 E C 2.486 179.083 176.600 -0.006 0.000 0.985 105 E CA 0.541 56.938 56.400 -0.006 0.000 0.801 105 E CB -0.155 29.545 29.700 -0.001 0.000 0.750 105 E HN 0.383 nan 8.360 nan 0.000 0.452 106 R N 1.035 121.536 120.500 0.001 0.000 2.316 106 R HA -0.128 4.213 4.340 0.002 0.000 0.232 106 R C 1.736 178.041 176.300 0.007 0.000 1.137 106 R CA 1.368 57.475 56.100 0.011 0.000 1.012 106 R CB 0.032 30.342 30.300 0.016 0.000 0.859 106 R HN -0.015 nan 8.270 nan 0.000 0.474 107 S N -0.571 115.123 115.700 -0.009 0.000 2.458 107 S HA 0.033 4.504 4.470 0.002 0.000 0.223 107 S C 2.098 176.675 174.600 -0.038 0.000 1.019 107 S CA 0.846 59.034 58.200 -0.019 0.000 0.937 107 S CB 0.315 63.501 63.200 -0.024 0.000 0.788 107 S HN 0.427 nan 8.310 nan 0.000 0.511 108 V N 1.670 121.553 119.914 -0.050 0.000 2.548 108 V HA 0.112 4.233 4.120 0.002 0.000 0.249 108 V C 2.061 178.072 176.094 -0.139 0.000 1.055 108 V CA 1.483 63.729 62.300 -0.091 0.000 1.065 108 V CB -0.658 31.119 31.823 -0.076 0.000 0.681 108 V HN 0.333 nan 8.190 nan 0.000 0.462 109 L N -0.450 120.724 121.223 -0.081 0.000 2.044 109 L HA -0.131 4.210 4.340 0.002 0.000 0.205 109 L C 2.908 179.733 176.870 -0.075 0.000 1.075 109 L CA 1.634 56.428 54.840 -0.077 0.000 0.747 109 L CB -0.523 41.559 42.059 0.038 0.000 0.903 109 L HN 0.405 nan 8.230 nan 0.000 0.435 110 S N 0.019 115.727 115.700 0.013 0.000 2.370 110 S HA -0.200 4.271 4.470 0.002 0.000 0.226 110 S C 2.182 176.807 174.600 0.042 0.000 1.033 110 S CA 1.259 59.520 58.200 0.102 0.000 1.011 110 S CB -0.289 62.996 63.200 0.142 0.000 0.852 110 S HN 0.489 nan 8.310 nan 0.000 0.457 111 A N 1.716 124.509 122.820 -0.044 0.000 1.859 111 A HA -0.114 4.207 4.320 0.002 0.000 0.217 111 A C 2.109 179.611 177.584 -0.138 0.000 1.198 111 A CA 1.532 53.524 52.037 -0.075 0.000 0.629 111 A CB -0.998 17.937 19.000 -0.108 0.000 0.830 111 A HN 0.468 nan 8.150 nan 0.000 0.446 112 L N -0.798 120.228 121.223 -0.328 0.000 2.081 112 L HA -0.280 4.061 4.340 0.002 0.000 0.212 112 L C 3.083 179.792 176.870 -0.268 0.000 1.080 112 L CA 1.127 55.626 54.840 -0.567 0.000 0.754 112 L CB -0.632 40.502 42.059 -1.542 0.000 0.893 112 L HN 0.490 nan 8.230 nan 0.000 0.433 113 A N 0.026 122.813 122.820 -0.055 0.000 1.908 113 A HA -0.228 4.093 4.320 0.002 0.000 0.218 113 A C 2.407 180.086 177.584 0.159 0.000 1.181 113 A CA 1.669 53.869 52.037 0.271 0.000 0.627 113 A CB -0.473 18.753 19.000 0.376 0.000 0.818 113 A HN 0.325 nan 8.150 nan 0.000 0.445 114 R N -1.317 119.241 120.500 0.096 0.000 2.081 114 R HA -0.053 4.288 4.340 0.002 0.000 0.235 114 R C 2.469 178.796 176.300 0.044 0.000 1.131 114 R CA 1.112 57.257 56.100 0.075 0.000 0.960 114 R CB -0.244 30.096 30.300 0.066 0.000 0.856 114 R HN 0.285 nan 8.270 nan 0.000 0.436 115 R N 0.797 121.306 120.500 0.015 0.000 2.091 115 R HA -0.117 4.224 4.340 0.002 0.000 0.238 115 R C 2.169 178.499 176.300 0.051 0.000 1.136 115 R CA 0.939 57.046 56.100 0.012 0.000 0.959 115 R CB -0.875 29.410 30.300 -0.025 0.000 0.856 115 R HN 0.246 nan 8.270 nan 0.000 0.437 116 L N 0.882 122.166 121.223 0.102 0.000 1.994 116 L HA -0.178 4.163 4.340 0.002 0.000 0.208 116 L C 2.192 179.093 176.870 0.052 0.000 1.071 116 L CA 1.587 56.510 54.840 0.138 0.000 0.745 116 L CB -0.982 41.244 42.059 0.278 0.000 0.892 116 L HN 0.144 nan 8.230 nan 0.000 0.431 117 L N 0.326 121.570 121.223 0.036 0.000 2.042 117 L HA -0.258 4.083 4.340 0.002 0.000 0.210 117 L C 2.711 179.580 176.870 -0.002 0.000 1.076 117 L CA 1.969 56.805 54.840 -0.006 0.000 0.749 117 L CB -0.684 41.375 42.059 0.000 0.000 0.893 117 L HN 0.436 nan 8.230 nan 0.000 0.432 118 Q N -0.913 118.895 119.800 0.013 0.000 2.291 118 Q HA -0.192 4.149 4.340 0.002 0.000 0.205 118 Q C 1.935 177.936 176.000 0.002 0.000 0.970 118 Q CA 1.644 57.452 55.803 0.008 0.000 0.876 118 Q CB 0.085 28.831 28.738 0.012 0.000 0.935 118 Q HN 0.735 nan 8.270 nan 0.000 0.455 119 E N 0.591 120.796 120.200 0.008 0.000 2.190 119 E HA -0.050 4.301 4.350 0.002 0.000 0.191 119 E C 1.770 178.365 176.600 -0.009 0.000 0.978 119 E CA 0.403 56.807 56.400 0.005 0.000 0.839 119 E CB -0.166 29.549 29.700 0.025 0.000 0.787 119 E HN 0.209 nan 8.360 nan 0.000 0.473 120 R N -0.206 120.282 120.500 -0.020 0.000 2.119 120 R HA 0.181 4.522 4.340 0.002 0.000 0.222 120 R C 2.430 178.704 176.300 -0.044 0.000 1.088 120 R CA 0.800 56.874 56.100 -0.044 0.000 0.984 120 R CB -0.400 29.858 30.300 -0.070 0.000 0.884 120 R HN 0.432 nan 8.270 nan 0.000 0.447 121 L N 0.092 121.298 121.223 -0.029 0.000 2.109 121 L HA -0.021 4.320 4.340 0.002 0.000 0.207 121 L C 2.738 179.599 176.870 -0.014 0.000 1.086 121 L CA 0.875 55.708 54.840 -0.012 0.000 0.760 121 L CB -0.421 41.639 42.059 0.001 0.000 0.910 121 L HN 0.108 nan 8.230 nan 0.000 0.437 122 R N 1.631 122.118 120.500 -0.021 0.000 2.117 122 R HA -0.189 4.152 4.340 0.002 0.000 0.243 122 R C 2.052 178.334 176.300 -0.030 0.000 1.143 122 R CA 1.703 57.785 56.100 -0.030 0.000 0.968 122 R CB -0.092 30.193 30.300 -0.025 0.000 0.863 122 R HN 0.420 nan 8.270 nan 0.000 0.444 123 R N 0.274 120.759 120.500 -0.026 0.000 2.426 123 R HA 0.182 4.523 4.340 0.002 0.000 0.263 123 R C -0.269 176.017 176.300 -0.024 0.000 0.961 123 R CA -0.194 55.890 56.100 -0.026 0.000 1.086 123 R CB 0.016 30.299 30.300 -0.028 0.000 1.186 123 R HN 0.135 nan 8.270 nan 0.000 0.537 124 L N 3.765 124.980 121.223 -0.013 0.000 2.315 124 L HA 0.144 4.485 4.340 0.002 0.000 0.283 124 L C -0.105 176.784 176.870 0.032 0.000 1.089 124 L CA -0.715 54.130 54.840 0.007 0.000 0.833 124 L CB 0.894 42.979 42.059 0.043 0.000 1.170 124 L HN 0.232 nan 8.230 nan 0.000 0.442 125 E N 2.425 122.643 120.200 0.030 0.000 2.398 125 E HA 0.288 4.639 4.350 0.002 0.000 0.263 125 E C 0.796 177.443 176.600 0.079 0.000 1.046 125 E CA -0.289 56.136 56.400 0.040 0.000 0.908 125 E CB 0.244 29.961 29.700 0.028 0.000 0.963 125 E HN 0.676 nan 8.360 nan 0.000 0.431 126 G N 0.584 109.429 108.800 0.076 0.000 2.334 126 G HA2 -0.012 3.949 3.960 0.002 0.000 0.279 126 G HA3 -0.012 3.949 3.960 0.002 0.000 0.279 126 G C -0.431 174.551 174.900 0.137 0.000 0.918 126 G CA 0.383 45.542 45.100 0.099 0.000 1.314 126 G HN 0.630 nan 8.290 nan 0.000 0.463 127 V N 2.133 122.138 119.914 0.152 0.000 2.966 127 V HA 0.417 4.538 4.120 0.002 0.000 0.288 127 V C -0.402 175.833 176.094 0.234 0.000 1.380 127 V CA -1.443 60.975 62.300 0.195 0.000 0.966 127 V CB 1.933 33.891 31.823 0.224 0.000 1.115 127 V HN 0.588 nan 8.190 nan 0.000 0.436 128 W N 5.334 126.697 121.300 0.105 0.000 2.316 128 W HA 0.696 5.355 4.660 -0.001 0.000 0.311 128 W C -1.333 175.300 176.519 0.191 0.000 1.217 128 W CA -0.157 57.266 57.345 0.129 0.000 1.199 128 W CB 1.629 31.164 29.460 0.124 0.000 1.202 128 W HN 0.417 nan 8.180 nan 0.000 0.528 129 V N 4.070 123.922 119.914 -0.103 0.000 2.656 129 V HA 0.540 4.661 4.120 0.002 0.000 0.307 129 V C -0.240 175.830 176.094 -0.040 0.000 1.051 129 V CA -0.563 61.745 62.300 0.014 0.000 0.893 129 V CB 1.365 33.163 31.823 -0.040 0.000 0.999 129 V HN 0.555 nan 8.190 nan 0.000 0.426 130 E N 2.378 122.676 120.200 0.164 0.000 2.502 130 E HA 0.626 4.977 4.350 0.002 0.000 0.261 130 E C 0.470 177.147 176.600 0.129 0.000 0.974 130 E CA 0.423 56.918 56.400 0.158 0.000 0.795 130 E CB 1.034 30.932 29.700 0.331 0.000 1.385 130 E HN 1.973 nan 8.360 nan 0.000 0.400 131 G N 0.980 109.817 108.800 0.060 0.000 2.559 131 G HA2 -0.278 3.683 3.960 0.002 0.000 0.282 131 G HA3 -0.278 3.683 3.960 0.002 0.000 0.282 131 G C 0.965 175.891 174.900 0.043 0.000 1.177 131 G CA 0.368 45.498 45.100 0.050 0.000 0.960 131 G HN 1.185 nan 8.290 nan 0.000 0.540 132 L N 1.989 123.240 121.223 0.048 0.000 2.667 132 L HA 0.578 4.919 4.340 0.002 0.000 0.232 132 L C 1.528 178.405 176.870 0.010 0.000 1.138 132 L CA 0.477 55.335 54.840 0.031 0.000 0.921 132 L CB -0.030 42.053 42.059 0.039 0.000 1.180 132 L HN 0.760 nan 8.230 nan 0.000 0.487 133 A N 0.442 123.278 122.820 0.027 0.000 2.310 133 A HA 0.651 4.972 4.320 0.002 0.000 0.299 133 A C -0.473 177.044 177.584 -0.113 0.000 1.147 133 A CA -0.204 51.791 52.037 -0.069 0.000 0.818 133 A CB 1.203 20.245 19.000 0.069 0.000 1.096 133 A HN -0.030 nan 8.150 nan 0.000 0.495 134 V N 2.620 122.306 119.914 -0.381 0.000 2.612 134 V HA 0.326 4.447 4.120 0.002 0.000 0.301 134 V C -1.750 174.043 176.094 -0.503 0.000 1.059 134 V CA -0.320 61.849 62.300 -0.218 0.000 0.886 134 V CB 1.454 33.262 31.823 -0.024 0.000 1.007 134 V HN 0.771 nan 8.190 nan 0.000 0.426 135 Y N 4.546 124.895 120.300 0.082 0.000 2.356 135 Y HA 0.466 5.017 4.550 0.002 0.000 0.334 135 Y C 1.214 177.084 175.900 -0.051 0.000 0.958 135 Y CA -0.951 57.146 58.100 -0.006 0.000 1.196 135 Y CB 1.164 39.635 38.460 0.019 0.000 1.137 135 Y HN 0.695 nan 8.280 nan 0.000 0.485 136 R N -0.015 120.403 120.500 -0.136 0.000 2.334 136 R HA 0.619 4.960 4.340 0.002 0.000 0.216 136 R C 0.453 176.647 176.300 -0.176 0.000 0.905 136 R CA -0.030 55.919 56.100 -0.251 0.000 1.064 136 R CB 0.234 30.102 30.300 -0.720 0.000 1.046 136 R HN 0.516 nan 8.270 nan 0.000 0.508 137 R N 1.315 121.764 120.500 -0.086 0.000 2.710 137 R HA 0.331 4.672 4.340 0.002 0.000 0.270 137 R C -1.676 174.623 176.300 -0.003 0.000 1.021 137 R CA -0.689 55.378 56.100 -0.056 0.000 0.889 137 R CB 0.747 31.001 30.300 -0.077 0.000 1.243 137 R HN 0.411 nan 8.270 nan 0.000 0.464 138 E N 0.708 120.902 120.200 -0.011 0.000 2.134 138 E HA 0.222 4.573 4.350 0.002 0.000 0.278 138 E C -0.206 176.414 176.600 0.033 0.000 0.959 138 E CA -0.472 55.914 56.400 -0.023 0.000 0.783 138 E CB 0.900 30.557 29.700 -0.071 0.000 1.095 138 E HN 0.800 nan 8.360 nan 0.000 0.399 139 H N 3.245 122.282 119.070 -0.054 0.000 2.439 139 H HA 0.302 4.858 4.556 0.001 0.000 0.299 139 H C -0.080 175.174 175.328 -0.124 0.000 1.033 139 H CA 0.887 56.913 56.048 -0.036 0.000 1.348 139 H CB 0.757 30.567 29.762 0.080 0.000 1.449 139 H HN 0.512 nan 8.280 nan 0.000 0.544 140 A N 0.186 122.834 122.820 -0.286 0.000 2.443 140 A HA 0.682 5.003 4.320 0.002 0.000 0.278 140 A C -0.414 176.915 177.584 -0.426 0.000 1.252 140 A CA -0.650 51.133 52.037 -0.424 0.000 0.816 140 A CB 2.526 21.220 19.000 -0.510 0.000 1.369 140 A HN 0.388 nan 8.150 nan 0.000 0.446 141 R N -2.708 117.498 120.500 -0.490 0.000 3.972 141 R HA 0.679 5.020 4.340 0.002 0.000 0.228 141 R C 0.192 176.197 176.300 -0.491 0.000 0.975 141 R CA 0.782 56.597 56.100 -0.474 0.000 0.768 141 R CB 0.243 30.407 30.300 -0.226 0.000 1.640 141 R HN 2.510 nan 8.270 nan 0.000 0.384 142 G N -0.166 108.589 108.800 -0.075 0.000 2.318 142 G HA2 0.022 3.983 3.960 0.002 0.000 0.367 142 G HA3 0.022 3.983 3.960 0.002 0.000 0.367 142 G C -2.669 172.472 174.900 0.401 0.000 1.260 142 G CA -0.442 44.879 45.100 0.368 0.000 1.055 142 G HN 0.550 nan 8.290 nan 0.000 0.484 143 P HA 0.352 nan 4.420 nan 0.000 0.271 143 P C 0.945 178.474 177.300 0.381 0.000 1.380 143 P CA 1.451 64.732 63.100 0.302 0.000 0.992 143 P CB 0.218 32.007 31.700 0.149 0.000 1.230 144 G N 3.389 112.352 108.800 0.272 0.000 2.379 144 G HA2 -0.197 3.764 3.960 0.002 0.000 0.297 144 G HA3 -0.197 3.764 3.960 0.002 0.000 0.297 144 G C -0.190 174.901 174.900 0.320 0.000 1.004 144 G CA 0.283 45.523 45.100 0.233 0.000 0.921 144 G HN 0.709 nan 8.290 nan 0.000 0.511 145 W N -0.890 120.414 121.300 0.006 0.000 3.248 145 W HA 0.788 5.449 4.660 0.000 0.000 0.311 145 W C -0.590 175.891 176.519 -0.064 0.000 1.258 145 W CA -1.398 55.926 57.345 -0.035 0.000 1.191 145 W CB 0.537 30.004 29.460 0.012 0.000 1.389 145 W HN 0.874 nan 8.180 nan 0.000 0.561 146 R N 0.856 121.012 120.500 -0.574 0.000 2.690 146 R HA 0.701 5.042 4.340 0.002 0.000 0.269 146 R C -2.450 173.505 176.300 -0.575 0.000 1.037 146 R CA -0.985 54.657 56.100 -0.763 0.000 0.877 146 R CB 1.627 31.650 30.300 -0.461 0.000 1.255 146 R HN 0.229 nan 8.270 nan 0.000 0.467 147 V N 3.034 122.635 119.914 -0.523 0.000 2.384 147 V HA 0.421 4.542 4.120 0.002 0.000 0.287 147 V C -0.232 175.774 176.094 -0.147 0.000 1.020 147 V CA -0.662 61.460 62.300 -0.297 0.000 0.850 147 V CB 1.372 33.049 31.823 -0.243 0.000 0.987 147 V HN 0.511 nan 8.190 nan 0.000 0.436 148 L N 4.201 125.335 121.223 -0.149 0.000 2.325 148 L HA 0.829 5.170 4.340 0.002 0.000 0.278 148 L C 0.625 177.598 176.870 0.172 0.000 1.023 148 L CA -0.315 54.491 54.840 -0.056 0.000 0.811 148 L CB 1.908 43.837 42.059 -0.217 0.000 1.249 148 L HN 0.741 nan 8.230 nan 0.000 0.431 149 G N 0.554 109.489 108.800 0.227 0.000 2.482 149 G HA2 0.718 4.679 3.960 0.002 0.000 0.317 149 G HA3 0.718 4.679 3.960 0.002 0.000 0.317 149 G C -0.462 174.436 174.900 -0.004 0.000 1.241 149 G CA 0.019 45.197 45.100 0.131 0.000 0.967 149 G HN 0.825 nan 8.290 nan 0.000 0.482 150 G N -0.564 108.125 108.800 -0.186 0.000 2.795 150 G HA2 0.782 4.743 3.960 0.002 0.000 0.127 150 G HA3 0.782 4.743 3.960 0.002 0.000 0.127 150 G C -1.154 173.515 174.900 -0.385 0.000 1.203 150 G CA 0.500 45.389 45.100 -0.351 0.000 1.145 150 G HN 1.797 nan 8.290 nan 0.000 0.580 151 A N -0.967 121.600 122.820 -0.422 0.000 2.547 151 A HA 0.694 5.015 4.320 0.002 0.000 0.297 151 A C -1.129 176.306 177.584 -0.250 0.000 1.056 151 A CA -0.383 51.488 52.037 -0.277 0.000 0.688 151 A CB 1.729 20.619 19.000 -0.184 0.000 1.282 151 A HN 1.283 nan 8.150 nan 0.000 0.400 152 V N 3.076 122.907 119.914 -0.139 0.000 2.530 152 V HA 0.326 4.447 4.120 0.002 0.000 0.282 152 V C 0.088 176.165 176.094 -0.029 0.000 1.048 152 V CA 0.258 62.520 62.300 -0.064 0.000 0.997 152 V CB 0.755 32.582 31.823 0.007 0.000 0.987 152 V HN 0.696 nan 8.190 nan 0.000 0.477 153 L N 4.069 125.282 121.223 -0.015 0.000 2.322 153 L HA 0.755 5.096 4.340 0.002 0.000 0.269 153 L C -0.851 176.049 176.870 0.050 0.000 1.012 153 L CA -0.629 54.212 54.840 0.002 0.000 0.815 153 L CB 2.146 44.190 42.059 -0.025 0.000 1.295 153 L HN 0.565 nan 8.230 nan 0.000 0.438 154 D N 1.343 121.778 120.400 0.059 0.000 2.803 154 D HA 0.452 5.093 4.640 0.002 0.000 0.218 154 D C -1.728 174.594 176.300 0.036 0.000 1.245 154 D CA -0.292 53.784 54.000 0.127 0.000 0.821 154 D CB 2.365 43.342 40.800 0.295 0.000 1.626 154 D HN 0.314 nan 8.370 nan 0.000 0.487 155 L N 4.405 125.679 121.223 0.085 0.000 2.457 155 L HA 0.602 4.943 4.340 0.002 0.000 0.266 155 L C -1.532 175.448 176.870 0.182 0.000 0.979 155 L CA -0.625 54.221 54.840 0.009 0.000 0.857 155 L CB 0.612 42.689 42.059 0.030 0.000 1.213 155 L HN 0.578 nan 8.230 nan 0.000 0.418 156 W N 4.636 126.038 121.300 0.169 0.000 2.958 156 W HA 0.778 5.439 4.660 0.001 0.000 0.339 156 W C -1.657 174.955 176.519 0.155 0.000 1.174 156 W CA -1.116 56.312 57.345 0.138 0.000 1.064 156 W CB 0.468 29.976 29.460 0.079 0.000 1.471 156 W HN 0.017 nan 8.180 nan 0.000 0.599 157 V N 2.579 122.735 119.914 0.404 0.000 2.398 157 V HA 0.306 4.427 4.120 0.002 0.000 0.286 157 V C 0.664 176.921 176.094 0.273 0.000 1.026 157 V CA -0.726 61.684 62.300 0.183 0.000 0.868 157 V CB 0.575 32.423 31.823 0.041 0.000 0.982 157 V HN 0.743 nan 8.190 nan 0.000 0.443 158 S N 2.609 118.411 115.700 0.169 0.000 2.564 158 S HA -0.089 4.382 4.470 0.002 0.000 0.263 158 S C 1.150 175.821 174.600 0.118 0.000 1.378 158 S CA 0.220 58.526 58.200 0.177 0.000 0.996 158 S CB 0.353 63.606 63.200 0.089 0.000 0.881 158 S HN 0.905 nan 8.310 nan 0.000 0.555 159 D N 0.105 120.567 120.400 0.103 0.000 2.355 159 D HA 0.101 4.742 4.640 0.002 0.000 0.218 159 D C 0.118 176.440 176.300 0.037 0.000 1.004 159 D CA 0.415 54.452 54.000 0.061 0.000 0.880 159 D CB 0.017 40.850 40.800 0.056 0.000 0.911 159 D HN 0.388 nan 8.370 nan 0.000 0.528 160 S N -0.692 115.029 115.700 0.035 0.000 2.499 160 S HA 0.373 4.844 4.470 0.002 0.000 0.238 160 S C 0.948 175.545 174.600 -0.005 0.000 1.205 160 S CA -0.094 58.115 58.200 0.015 0.000 1.203 160 S CB 0.877 64.089 63.200 0.020 0.000 0.954 160 S HN 0.276 nan 8.310 nan 0.000 0.484 161 G N 1.402 110.191 108.800 -0.017 0.000 2.337 161 G HA2 -0.192 3.769 3.960 0.002 0.000 0.290 161 G HA3 -0.192 3.769 3.960 0.002 0.000 0.290 161 G C 0.216 175.048 174.900 -0.113 0.000 1.003 161 G CA 0.479 45.542 45.100 -0.061 0.000 0.825 161 G HN 0.934 nan 8.290 nan 0.000 0.509 162 A N -1.195 121.572 122.820 -0.087 0.000 2.313 162 A HA 0.903 5.224 4.320 0.002 0.000 0.323 162 A C -0.230 177.274 177.584 -0.133 0.000 1.133 162 A CA -0.886 51.095 52.037 -0.094 0.000 0.847 162 A CB 1.112 20.111 19.000 -0.001 0.000 1.308 162 A HN 0.400 nan 8.150 nan 0.000 0.475 163 F N -0.462 119.485 119.950 -0.005 0.000 2.371 163 F HA 0.609 5.137 4.527 0.001 0.000 0.329 163 F C 0.139 175.859 175.800 -0.135 0.000 1.107 163 F CA 0.001 57.975 58.000 -0.045 0.000 1.137 163 F CB 1.252 40.228 39.000 -0.041 0.000 1.214 163 F HN 0.275 nan 8.300 nan 0.000 0.536 164 L N 3.574 124.758 121.223 -0.066 0.000 2.436 164 L HA 0.443 4.784 4.340 0.002 0.000 0.268 164 L C -1.423 175.133 176.870 -0.522 0.000 0.974 164 L CA -0.582 54.013 54.840 -0.409 0.000 0.826 164 L CB 2.210 43.743 42.059 -0.877 0.000 1.291 164 L HN 0.448 nan 8.230 nan 0.000 0.406 165 L N 3.766 124.797 121.223 -0.319 0.000 2.333 165 L HA 0.525 4.866 4.340 0.002 0.000 0.280 165 L C -0.701 176.078 176.870 -0.152 0.000 1.004 165 L CA -0.224 54.476 54.840 -0.234 0.000 0.820 165 L CB 1.925 43.907 42.059 -0.128 0.000 1.247 165 L HN 0.713 nan 8.230 nan 0.000 0.416 166 E N 3.785 123.890 120.200 -0.159 0.000 2.179 166 E HA 0.595 4.946 4.350 0.002 0.000 0.275 166 E C -1.775 174.862 176.600 0.062 0.000 0.945 166 E CA -0.633 55.800 56.400 0.055 0.000 0.792 166 E CB 2.251 32.082 29.700 0.219 0.000 1.125 166 E HN 0.431 nan 8.360 nan 0.000 0.397 167 V N 3.346 123.331 119.914 0.119 0.000 2.841 167 V HA 0.408 4.529 4.120 0.002 0.000 0.310 167 V C -1.174 174.983 176.094 0.105 0.000 1.090 167 V CA -0.772 61.548 62.300 0.034 0.000 0.930 167 V CB 2.217 33.969 31.823 -0.117 0.000 1.014 167 V HN 0.780 nan 8.190 nan 0.000 0.425 168 D N 3.648 124.076 120.400 0.045 0.000 2.738 168 D HA 0.431 5.072 4.640 0.002 0.000 0.218 168 D C -3.022 173.266 176.300 -0.019 0.000 1.345 168 D CA -1.169 52.870 54.000 0.066 0.000 0.943 168 D CB 2.937 43.792 40.800 0.092 0.000 1.514 168 D HN 0.193 nan 8.370 nan 0.000 0.585 169 P HA 0.359 nan 4.420 nan 0.000 0.264 169 P C -1.248 175.942 177.300 -0.183 0.000 1.183 169 P CA 0.102 63.107 63.100 -0.159 0.000 0.763 169 P CB 0.828 32.437 31.700 -0.151 0.000 0.807 170 A N 2.909 125.557 122.820 -0.286 0.000 2.606 170 A HA 0.692 5.013 4.320 0.002 0.000 0.293 170 A C -1.837 175.600 177.584 -0.244 0.000 1.082 170 A CA -0.415 51.511 52.037 -0.186 0.000 0.685 170 A CB 0.976 19.967 19.000 -0.016 0.000 1.284 170 A HN 0.347 nan 8.150 nan 0.000 0.408 171 Y N -0.079 120.322 120.300 0.167 0.000 2.487 171 Y HA 0.793 5.344 4.550 0.001 0.000 0.337 171 Y C 0.398 176.355 175.900 0.095 0.000 1.076 171 Y CA -0.501 57.683 58.100 0.140 0.000 1.115 171 Y CB 1.982 40.465 38.460 0.038 0.000 1.235 171 Y HN 0.748 nan 8.280 nan 0.000 0.468 172 R N 2.296 122.812 120.500 0.026 0.000 2.532 172 R HA 0.557 4.898 4.340 0.002 0.000 0.297 172 R C -2.024 174.108 176.300 -0.281 0.000 0.984 172 R CA -0.433 55.457 56.100 -0.350 0.000 0.884 172 R CB 0.661 30.208 30.300 -1.255 0.000 1.182 172 R HN 0.555 nan 8.270 nan 0.000 0.442 173 I N 6.283 126.737 120.570 -0.194 0.000 2.331 173 I HA 0.380 4.551 4.170 0.002 0.000 0.292 173 I C -0.389 175.591 176.117 -0.229 0.000 0.998 173 I CA -0.558 60.647 61.300 -0.159 0.000 1.267 173 I CB 0.970 38.949 38.000 -0.035 0.000 1.386 173 I HN 0.554 nan 8.210 nan 0.000 0.476 174 L N 5.694 126.756 121.223 -0.269 0.000 2.410 174 L HA 0.414 4.755 4.340 0.002 0.000 0.270 174 L C -0.463 176.279 176.870 -0.212 0.000 0.983 174 L CA -0.539 54.119 54.840 -0.303 0.000 0.822 174 L CB 2.543 44.300 42.059 -0.504 0.000 1.285 174 L HN 0.566 nan 8.230 nan 0.000 0.409 175 C N 2.574 121.743 119.300 -0.218 0.000 2.415 175 C HA 0.222 4.683 4.460 0.002 0.000 0.369 175 C C 1.521 176.432 174.990 -0.132 0.000 1.279 175 C CA -0.347 58.536 59.018 -0.224 0.000 1.886 175 C CB 0.116 27.593 27.740 -0.439 0.000 2.468 175 C HN 0.837 nan 8.230 nan 0.000 0.553 176 E N 3.162 123.338 120.200 -0.040 0.000 2.400 176 E HA 0.022 4.373 4.350 0.002 0.000 0.195 176 E C 0.545 177.168 176.600 0.037 0.000 1.012 176 E CA 0.413 56.809 56.400 -0.006 0.000 0.875 176 E CB 0.026 29.740 29.700 0.023 0.000 0.859 176 E HN 0.698 nan 8.360 nan 0.000 0.498 177 M N 0.893 120.540 119.600 0.079 0.000 2.163 177 M HA 0.015 4.496 4.480 0.002 0.000 0.305 177 M C 0.665 177.013 176.300 0.080 0.000 1.166 177 M CA -0.001 55.388 55.300 0.148 0.000 1.132 177 M CB 0.870 33.695 32.600 0.375 0.000 1.413 177 M HN -0.105 nan 8.290 nan 0.000 0.478 178 S N 0.498 116.264 115.700 0.110 0.000 2.758 178 S HA 0.714 5.184 4.470 0.002 0.000 0.292 178 S C 1.168 175.834 174.600 0.111 0.000 1.131 178 S CA -0.406 57.836 58.200 0.070 0.000 0.997 178 S CB 0.199 63.434 63.200 0.058 0.000 1.111 178 S HN 0.828 nan 8.310 nan 0.000 0.552 179 L N 0.288 121.555 121.223 0.074 0.000 1.989 179 L HA 0.000 4.341 4.340 0.002 0.000 0.211 179 L C 2.886 179.848 176.870 0.152 0.000 1.071 179 L CA 2.575 57.476 54.840 0.101 0.000 0.749 179 L CB -2.188 39.906 42.059 0.058 0.000 0.890 179 L HN 0.914 nan 8.230 nan 0.000 0.431 180 E N -0.255 120.010 120.200 0.107 0.000 2.001 180 E HA -0.155 4.196 4.350 0.002 0.000 0.195 180 E C 2.606 179.276 176.600 0.116 0.000 1.002 180 E CA 1.468 57.924 56.400 0.094 0.000 0.819 180 E CB -0.656 29.080 29.700 0.061 0.000 0.769 180 E HN 0.700 nan 8.360 nan 0.000 0.454 181 A N 2.238 125.129 122.820 0.117 0.000 1.896 181 A HA -0.244 4.077 4.320 0.002 0.000 0.220 181 A C 2.118 179.808 177.584 0.177 0.000 1.206 181 A CA 1.973 54.085 52.037 0.125 0.000 0.647 181 A CB -1.490 17.587 19.000 0.128 0.000 0.828 181 A HN 0.616 nan 8.150 nan 0.000 0.455 182 W N 0.397 121.709 121.300 0.020 0.000 2.315 182 W HA -0.234 4.425 4.660 -0.001 0.000 0.323 182 W C 1.933 178.502 176.519 0.084 0.000 1.233 182 W CA 1.954 59.307 57.345 0.014 0.000 1.267 182 W CB -0.532 28.897 29.460 -0.052 0.000 1.160 182 W HN 0.342 nan 8.180 nan 0.000 0.474 183 L N 0.819 122.141 121.223 0.166 0.000 2.081 183 L HA -0.266 4.075 4.340 0.002 0.000 0.212 183 L C 2.688 179.544 176.870 -0.024 0.000 1.080 183 L CA 1.436 56.305 54.840 0.047 0.000 0.754 183 L CB -1.404 40.712 42.059 0.095 0.000 0.893 183 L HN 0.010 nan 8.230 nan 0.000 0.433 184 A N -0.092 122.732 122.820 0.006 0.000 2.240 184 A HA -0.352 3.969 4.320 0.002 0.000 0.199 184 A C 1.958 179.499 177.584 -0.072 0.000 1.172 184 A CA 2.014 54.041 52.037 -0.017 0.000 0.807 184 A CB -0.994 18.014 19.000 0.013 0.000 0.830 184 A HN 0.364 nan 8.150 nan 0.000 0.527 185 Q N -1.602 118.151 119.800 -0.079 0.000 2.191 185 Q HA -0.170 4.171 4.340 0.002 0.000 0.219 185 Q C 1.198 177.070 176.000 -0.214 0.000 1.044 185 Q CA 2.932 58.651 55.803 -0.139 0.000 0.933 185 Q CB -0.567 28.078 28.738 -0.155 0.000 1.049 185 Q HN 1.618 nan 8.270 nan 0.000 0.424 186 G N -1.554 107.073 108.800 -0.288 0.000 2.519 186 G HA2 -0.054 3.907 3.960 0.002 0.000 0.229 186 G HA3 -0.054 3.907 3.960 0.002 0.000 0.229 186 G C -1.224 173.412 174.900 -0.441 0.000 1.333 186 G CA -0.647 44.276 45.100 -0.295 0.000 0.939 186 G HN 0.321 nan 8.290 nan 0.000 0.501 187 H N 1.290 120.097 119.070 -0.438 0.000 2.458 187 H HA 0.565 5.121 4.556 0.001 0.000 0.330 187 H C -1.232 173.943 175.328 -0.254 0.000 1.111 187 H CA -0.954 54.771 56.048 -0.537 0.000 1.245 187 H CB 1.943 30.877 29.762 -1.379 0.000 1.456 187 H HN 0.262 nan 8.280 nan 0.000 0.488 188 P HA 0.086 nan 4.420 nan 0.000 0.317 188 P C -0.158 177.243 177.300 0.168 0.000 1.316 188 P CA -0.491 62.650 63.100 0.068 0.000 0.744 188 P CB 0.261 31.996 31.700 0.058 0.000 1.521 189 L N -2.084 119.225 121.223 0.144 0.000 2.475 189 L HA 0.697 5.038 4.340 0.002 0.000 0.253 189 L C -1.233 175.746 176.870 0.182 0.000 1.198 189 L CA -0.729 54.207 54.840 0.160 0.000 0.814 189 L CB -1.782 40.333 42.059 0.093 0.000 1.134 189 L HN 0.678 nan 8.230 nan 0.000 0.478 190 P HA 0.652 nan 4.420 nan 0.000 0.310 190 P C 0.239 177.553 177.300 0.024 0.000 1.553 190 P CA 0.438 63.569 63.100 0.052 0.000 1.179 190 P CB 1.378 33.065 31.700 -0.023 0.000 1.175 191 K N 0.656 121.063 120.400 0.012 0.000 2.097 191 K HA 0.337 4.658 4.320 0.002 0.000 0.205 191 K C 1.289 177.888 176.600 -0.002 0.000 1.050 191 K CA 2.241 58.532 56.287 0.007 0.000 0.938 191 K CB -0.487 32.016 32.500 0.005 0.000 0.718 191 K HN 0.992 nan 8.250 nan 0.000 0.442 192 R N -0.422 120.068 120.500 -0.017 0.000 2.740 192 R HA 0.792 5.133 4.340 0.002 0.000 0.282 192 R C -0.929 175.349 176.300 -0.037 0.000 0.969 192 R CA -0.032 56.056 56.100 -0.019 0.000 0.918 192 R CB 1.133 31.423 30.300 -0.016 0.000 1.175 192 R HN 0.756 nan 8.270 nan 0.000 0.464 193 V N 0.030 119.931 119.914 -0.023 0.000 2.932 193 V HA 0.953 5.074 4.120 0.002 0.000 0.307 193 V C -0.759 175.331 176.094 -0.007 0.000 1.147 193 V CA -0.031 62.253 62.300 -0.028 0.000 0.951 193 V CB 1.905 33.718 31.823 -0.015 0.000 1.031 193 V HN 1.591 nan 8.190 nan 0.000 0.426 194 R N 2.774 123.271 120.500 -0.004 0.000 2.561 194 R HA 0.862 5.203 4.340 0.002 0.000 0.297 194 R C 0.189 176.500 176.300 0.018 0.000 0.969 194 R CA 0.086 56.195 56.100 0.015 0.000 0.879 194 R CB 0.285 30.603 30.300 0.029 0.000 1.178 194 R HN 1.922 nan 8.270 nan 0.000 0.445 195 N N 0.004 118.718 118.700 0.023 0.000 2.239 195 N HA 0.367 5.108 4.740 0.002 0.000 0.225 195 N C 1.301 176.824 175.510 0.021 0.000 1.283 195 N CA 0.469 53.532 53.050 0.022 0.000 0.868 195 N CB 0.453 38.961 38.487 0.036 0.000 1.098 195 N HN 1.638 nan 8.380 nan 0.000 0.436 196 A N -1.061 121.766 122.820 0.012 0.000 2.275 196 A HA 0.486 4.807 4.320 0.002 0.000 0.212 196 A C 1.717 179.311 177.584 0.016 0.000 1.201 196 A CA 1.417 53.465 52.037 0.018 0.000 0.843 196 A CB -0.868 18.136 19.000 0.007 0.000 0.873 196 A HN 1.370 nan 8.150 nan 0.000 0.492 197 Y N -0.960 119.348 120.300 0.015 0.000 2.447 197 Y HA 0.393 4.944 4.550 0.002 0.000 0.286 197 Y C 0.712 176.615 175.900 0.004 0.000 1.153 197 Y CA 0.506 58.614 58.100 0.013 0.000 1.241 197 Y CB -0.003 38.473 38.460 0.027 0.000 1.284 197 Y HN 0.406 nan 8.280 nan 0.000 0.520 198 D N -0.507 119.899 120.400 0.010 0.000 2.646 198 D HA 0.478 5.119 4.640 0.002 0.000 0.245 198 D C 0.086 176.385 176.300 -0.001 0.000 1.099 198 D CA -0.178 53.820 54.000 -0.004 0.000 0.849 198 D CB 1.636 42.440 40.800 0.007 0.000 1.448 198 D HN 0.477 nan 8.370 nan 0.000 0.489 199 R N 2.141 122.628 120.500 -0.021 0.000 4.113 199 R HA 0.490 4.831 4.340 0.002 0.000 0.179 199 R C 0.603 176.908 176.300 0.008 0.000 1.781 199 R CA 0.317 56.415 56.100 -0.004 0.000 1.402 199 R CB -1.371 28.909 30.300 -0.033 0.000 1.375 199 R HN 0.544 nan 8.270 nan 0.000 0.786 200 R N 1.531 122.041 120.500 0.016 0.000 2.565 200 R HA 0.378 4.718 4.340 0.002 0.000 0.286 200 R C 0.780 177.092 176.300 0.020 0.000 1.256 200 R CA 0.097 56.208 56.100 0.018 0.000 1.238 200 R CB -1.103 29.211 30.300 0.022 0.000 1.153 200 R HN 0.922 nan 8.270 nan 0.000 0.553 201 T N -2.440 112.126 114.554 0.020 0.000 2.923 201 T HA 0.274 4.625 4.350 0.002 0.000 0.309 201 T C 0.423 175.131 174.700 0.014 0.000 1.059 201 T CA 0.673 62.782 62.100 0.016 0.000 1.133 201 T CB 0.003 68.882 68.868 0.018 0.000 1.053 201 T HN 1.475 nan 8.240 nan 0.000 0.530 202 W N -0.921 120.385 121.300 0.010 0.000 3.167 202 W HA 0.750 5.411 4.660 0.002 0.000 0.324 202 W C -0.285 176.239 176.519 0.009 0.000 1.230 202 W CA -0.743 56.609 57.345 0.012 0.000 1.184 202 W CB 0.613 30.083 29.460 0.017 0.000 1.414 202 W HN 1.260 nan 8.180 nan 0.000 0.551 203 E N 0.873 121.080 120.200 0.011 0.000 1.993 203 E HA 0.689 5.040 4.350 0.002 0.000 0.271 203 E C -0.181 176.427 176.600 0.013 0.000 1.008 203 E CA -0.059 56.347 56.400 0.010 0.000 0.814 203 E CB 0.407 30.113 29.700 0.009 0.000 1.098 203 E HN 2.339 nan 8.360 nan 0.000 0.407 204 L N 1.730 122.962 121.223 0.015 0.000 2.276 204 L HA 0.803 5.144 4.340 0.002 0.000 0.286 204 L C 2.193 179.076 176.870 0.022 0.000 1.061 204 L CA 0.169 55.021 54.840 0.021 0.000 0.807 204 L CB 0.090 42.163 42.059 0.025 0.000 1.177 204 L HN 1.224 nan 8.230 nan 0.000 0.429 205 L N 2.464 123.700 121.223 0.021 0.000 2.005 205 L HA 0.679 5.020 4.340 0.002 0.000 0.207 205 L C 1.509 178.394 176.870 0.024 0.000 1.072 205 L CA 3.185 58.037 54.840 0.020 0.000 0.744 205 L CB -1.455 40.614 42.059 0.017 0.000 0.895 205 L HN 2.256 nan 8.230 nan 0.000 0.433 206 R N -3.311 117.206 120.500 0.028 0.000 3.086 206 R HA 0.766 5.107 4.340 0.002 0.000 0.286 206 R C -0.369 175.951 176.300 0.033 0.000 0.958 206 R CA 0.397 56.516 56.100 0.032 0.000 0.822 206 R CB -0.525 29.791 30.300 0.028 0.000 1.382 206 R HN 1.974 nan 8.270 nan 0.000 0.519 207 L N 0.496 121.741 121.223 0.035 0.000 2.513 207 L HA 0.721 5.062 4.340 0.002 0.000 0.272 207 L C 1.230 178.117 176.870 0.028 0.000 1.187 207 L CA 0.199 55.059 54.840 0.034 0.000 0.895 207 L CB 0.239 42.320 42.059 0.036 0.000 1.147 207 L HN 1.836 nan 8.230 nan 0.000 0.483 208 G N 2.051 110.868 108.800 0.028 0.000 2.444 208 G HA2 0.426 4.387 3.960 0.002 0.000 0.303 208 G HA3 0.426 4.387 3.960 0.002 0.000 0.303 208 G C 0.353 175.266 174.900 0.023 0.000 1.032 208 G CA -0.214 44.901 45.100 0.025 0.000 1.137 208 G HN 0.953 nan 8.290 nan 0.000 0.430 209 E N 1.975 122.186 120.200 0.019 0.000 3.057 209 E HA 0.267 4.618 4.350 0.002 0.000 0.314 209 E C 1.326 177.936 176.600 0.017 0.000 1.433 209 E CA 0.318 56.728 56.400 0.017 0.000 1.546 209 E CB -0.020 29.689 29.700 0.014 0.000 1.224 209 E HN 0.771 nan 8.360 nan 0.000 0.483 210 E N 0.586 120.797 120.200 0.019 0.000 3.055 210 E HA 0.442 4.793 4.350 0.002 0.000 0.224 210 E C 0.242 176.854 176.600 0.020 0.000 0.662 210 E CA 0.127 56.538 56.400 0.019 0.000 1.557 210 E CB -0.368 29.343 29.700 0.019 0.000 1.888 210 E HN 0.327 nan 8.360 nan 0.000 0.399 211 D N -1.142 119.272 120.400 0.022 0.000 2.466 211 D HA 0.675 5.316 4.640 0.002 0.000 0.262 211 D C -0.527 175.791 176.300 0.031 0.000 1.177 211 D CA 0.018 54.032 54.000 0.023 0.000 1.035 211 D CB -0.418 40.394 40.800 0.020 0.000 1.105 211 D HN 0.855 nan 8.370 nan 0.000 0.551 223 L N 4.707 125.975 121.223 0.075 0.000 2.056 223 L HA 0.078 4.419 4.340 0.002 0.000 0.207 223 L C 2.626 179.614 176.870 0.198 0.000 1.078 223 L CA 2.841 57.747 54.840 0.110 0.000 0.749 223 L CB -1.729 40.383 42.059 0.090 0.000 0.901 223 L HN 0.904 nan 8.230 nan 0.000 0.433 224 L N -0.594 120.722 121.223 0.155 0.000 2.005 224 L HA -0.211 4.130 4.340 0.002 0.000 0.207 224 L C 2.334 179.284 176.870 0.133 0.000 1.072 224 L CA 2.498 57.434 54.840 0.160 0.000 0.744 224 L CB -1.848 40.271 42.059 0.100 0.000 0.895 224 L HN 0.248 nan 8.230 nan 0.000 0.433 225 D N -1.790 118.667 120.400 0.094 0.000 2.172 225 D HA -0.249 4.392 4.640 0.002 0.000 0.196 225 D C 1.781 178.106 176.300 0.041 0.000 0.999 225 D CA 1.817 55.854 54.000 0.061 0.000 0.856 225 D CB -0.380 40.453 40.800 0.056 0.000 0.934 225 D HN 0.739 nan 8.370 nan 0.000 0.453 226 Y N 1.342 121.618 120.300 -0.039 0.000 1.993 226 Y HA -0.336 4.216 4.550 0.003 0.000 0.267 226 Y C 2.413 178.233 175.900 -0.134 0.000 1.155 226 Y CA 2.021 60.048 58.100 -0.122 0.000 1.105 226 Y CB -0.762 37.568 38.460 -0.217 0.000 0.960 226 Y HN 0.192 nan 8.280 nan 0.000 0.486 227 H N -0.250 118.628 119.070 -0.320 0.000 2.387 227 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 227 H C 2.364 177.571 175.328 -0.202 0.000 1.099 227 H CA 1.355 57.213 56.048 -0.317 0.000 1.315 227 H CB -0.896 28.817 29.762 -0.081 0.000 1.380 227 H HN 0.533 nan 8.280 nan 0.000 0.513 228 A N 1.039 123.866 122.820 0.013 0.000 1.908 228 A HA -0.235 4.086 4.320 0.002 0.000 0.218 228 A C 2.877 180.434 177.584 -0.046 0.000 1.181 228 A CA 2.427 54.464 52.037 -0.001 0.000 0.627 228 A CB -1.078 17.932 19.000 0.017 0.000 0.818 228 A HN 0.574 nan 8.150 nan 0.000 0.445 229 S N -0.250 115.395 115.700 -0.091 0.000 2.359 229 S HA -0.112 4.359 4.470 0.002 0.000 0.224 229 S C 2.183 176.721 174.600 -0.103 0.000 1.035 229 S CA 2.961 61.105 58.200 -0.092 0.000 1.018 229 S CB -0.713 62.422 63.200 -0.108 0.000 0.876 229 S HN 0.881 nan 8.310 nan 0.000 0.448 230 K N -0.008 120.292 120.400 -0.165 0.000 2.362 230 K HA 0.339 4.660 4.320 0.002 0.000 0.200 230 K C 2.139 178.702 176.600 -0.061 0.000 1.046 230 K CA 1.464 57.677 56.287 -0.124 0.000 0.952 230 K CB -1.408 30.989 32.500 -0.172 0.000 0.753 230 K HN 1.789 nan 8.250 nan 0.000 0.466 231 G N -2.697 106.075 108.800 -0.047 0.000 2.234 231 G HA2 0.039 4.000 3.960 0.002 0.000 0.235 231 G HA3 0.039 4.000 3.960 0.002 0.000 0.235 231 G C 0.887 175.780 174.900 -0.013 0.000 0.997 231 G CA 0.995 46.081 45.100 -0.023 0.000 0.623 231 G HN 1.184 nan 8.290 nan 0.000 0.514 263 P HA 0.470 nan 4.420 nan 0.000 0.294 263 P C -0.757 176.388 177.300 -0.258 0.000 1.294 263 P CA -0.371 62.606 63.100 -0.205 0.000 0.827 263 P CB 2.057 33.581 31.700 -0.294 0.000 0.992 264 V N 4.667 124.481 119.914 -0.166 0.000 2.530 264 V HA 0.157 4.278 4.120 0.002 0.000 0.282 264 V C 0.968 176.949 176.094 -0.188 0.000 1.048 264 V CA -0.163 62.049 62.300 -0.147 0.000 0.997 264 V CB 0.341 32.125 31.823 -0.066 0.000 0.987 264 V HN 0.405 nan 8.190 nan 0.000 0.477 265 L N 4.062 125.161 121.223 -0.207 0.000 2.358 265 L HA 0.825 5.166 4.340 0.002 0.000 0.268 265 L C 0.970 177.794 176.870 -0.077 0.000 1.032 265 L CA 0.433 55.163 54.840 -0.184 0.000 0.805 265 L CB 1.440 43.351 42.059 -0.247 0.000 1.253 265 L HN 0.913 nan 8.230 nan 0.000 0.452 266 T N 0.016 114.550 114.554 -0.033 0.000 3.601 266 T HA 0.408 4.759 4.350 0.002 0.000 0.242 266 T C 0.317 175.033 174.700 0.027 0.000 0.958 266 T CA 0.775 62.877 62.100 0.002 0.000 1.120 266 T CB -0.240 68.630 68.868 0.004 0.000 1.154 266 T HN 0.298 nan 8.240 nan 0.000 0.375 267 L N 2.187 123.431 121.223 0.034 0.000 3.030 267 L HA 0.874 5.215 4.340 0.002 0.000 0.252 267 L C 0.324 177.234 176.870 0.067 0.000 1.316 267 L CA 0.460 55.327 54.840 0.045 0.000 0.975 267 L CB -0.754 41.327 42.059 0.036 0.000 1.357 267 L HN 0.851 nan 8.230 nan 0.000 0.534 268 E N -0.603 119.650 120.200 0.089 0.000 3.374 268 E HA 0.563 4.914 4.350 0.002 0.000 0.223 268 E C -0.477 176.196 176.600 0.122 0.000 1.210 268 E CA 0.472 56.968 56.400 0.160 0.000 0.987 268 E CB 0.232 30.111 29.700 0.299 0.000 1.322 268 E HN 1.397 nan 8.360 nan 0.000 0.404 269 D N -0.419 119.997 120.400 0.027 0.000 2.890 269 D HA 0.768 5.409 4.640 0.002 0.000 0.233 269 D C 0.208 176.427 176.300 -0.134 0.000 1.306 269 D CA 0.037 53.971 54.000 -0.110 0.000 0.929 269 D CB 0.751 41.513 40.800 -0.063 0.000 1.512 269 D HN 1.228 nan 8.370 nan 0.000 0.568 270 L N -0.571 120.517 121.223 -0.225 0.000 2.436 270 L HA 0.739 5.079 4.340 0.002 0.000 0.265 270 L C 1.700 178.485 176.870 -0.143 0.000 1.168 270 L CA 0.421 55.163 54.840 -0.164 0.000 0.815 270 L CB -0.823 41.127 42.059 -0.182 0.000 1.109 270 L HN 1.377 nan 8.230 nan 0.000 0.462 271 H N 0.480 119.508 119.070 -0.070 0.000 2.572 271 H HA 0.618 5.175 4.556 0.002 0.000 0.278 271 H C 0.977 176.302 175.328 -0.004 0.000 1.050 271 H CA 1.837 57.870 56.048 -0.024 0.000 1.168 271 H CB -1.250 28.506 29.762 -0.010 0.000 1.316 271 H HN 2.654 nan 8.280 nan 0.000 0.610 279 L N 1.400 122.620 121.223 -0.005 0.000 2.171 279 L HA 0.014 4.355 4.340 0.002 0.000 0.216 279 L C 1.803 178.757 176.870 0.141 0.000 1.084 279 L CA 3.114 57.956 54.840 0.004 0.000 0.771 279 L CB -1.948 40.152 42.059 0.069 0.000 0.890 279 L HN 1.877 nan 8.230 nan 0.000 0.437 280 S N -1.696 114.086 115.700 0.137 0.000 2.681 280 S HA 0.726 5.197 4.470 0.002 0.000 0.270 280 S C -0.367 174.343 174.600 0.183 0.000 1.209 280 S CA -0.518 57.787 58.200 0.175 0.000 0.988 280 S CB 1.350 64.633 63.200 0.138 0.000 1.006 280 S HN 0.590 nan 8.310 nan 0.000 0.558 281 L N 1.145 122.470 121.223 0.169 0.000 2.388 281 L HA 0.592 4.933 4.340 0.002 0.000 0.264 281 L C -2.479 174.476 176.870 0.141 0.000 0.998 281 L CA -2.522 52.402 54.840 0.140 0.000 0.817 281 L CB 2.803 44.931 42.059 0.115 0.000 1.338 281 L HN 0.563 nan 8.230 nan 0.000 0.414 282 P HA 0.012 nan 4.420 nan 0.000 0.281 282 P C 0.431 177.814 177.300 0.138 0.000 1.249 282 P CA -0.483 62.688 63.100 0.119 0.000 0.810 282 P CB 0.738 32.455 31.700 0.027 0.000 1.008 283 W N 3.159 124.536 121.300 0.128 0.000 2.325 283 W HA -0.159 4.502 4.660 0.001 0.000 0.299 283 W C 0.973 177.542 176.519 0.083 0.000 1.215 283 W CA 1.236 58.684 57.345 0.171 0.000 1.244 283 W CB -1.399 28.168 29.460 0.178 0.000 1.140 283 W HN 0.387 nan 8.180 nan 0.000 0.523 284 E N 0.733 120.534 120.200 -0.665 0.000 2.152 284 E HA -0.232 4.119 4.350 0.002 0.000 0.192 284 E C 2.071 178.486 176.600 -0.307 0.000 0.983 284 E CA 1.635 57.600 56.400 -0.724 0.000 0.818 284 E CB -0.069 29.067 29.700 -0.940 0.000 0.758 284 E HN 0.164 nan 8.360 nan 0.000 0.467 285 E N 0.759 120.837 120.200 -0.203 0.000 2.158 285 E HA -0.145 4.206 4.350 0.002 0.000 0.191 285 E C 1.786 178.337 176.600 -0.082 0.000 0.982 285 E CA 1.074 57.405 56.400 -0.115 0.000 0.823 285 E CB 0.018 29.678 29.700 -0.066 0.000 0.766 285 E HN 0.198 nan 8.360 nan 0.000 0.468 286 R N -0.315 120.167 120.500 -0.030 0.000 2.297 286 R HA 0.169 4.510 4.340 0.002 0.000 0.197 286 R C 2.142 178.369 176.300 -0.122 0.000 0.943 286 R CA 0.652 56.748 56.100 -0.006 0.000 1.038 286 R CB -0.145 30.228 30.300 0.122 0.000 0.957 286 R HN 0.036 nan 8.270 nan 0.000 0.484 287 R N 0.862 121.191 120.500 -0.284 0.000 2.112 287 R HA 0.076 4.417 4.340 0.002 0.000 0.216 287 R C 2.269 178.399 176.300 -0.282 0.000 1.080 287 R CA 0.788 56.507 56.100 -0.634 0.000 0.996 287 R CB -0.155 29.833 30.300 -0.519 0.000 0.902 287 R HN 0.241 nan 8.270 nan 0.000 0.449 288 R N 0.549 120.938 120.500 -0.185 0.000 2.062 288 R HA -0.054 4.287 4.340 0.002 0.000 0.231 288 R C 2.073 178.309 176.300 -0.106 0.000 1.136 288 R CA 1.616 57.641 56.100 -0.125 0.000 0.948 288 R CB -0.121 30.111 30.300 -0.114 0.000 0.845 288 R HN 0.211 nan 8.270 nan 0.000 0.430 289 R N -0.318 120.117 120.500 -0.109 0.000 2.152 289 R HA -0.057 4.284 4.340 0.002 0.000 0.232 289 R C 2.216 178.453 176.300 -0.105 0.000 1.117 289 R CA 1.717 57.749 56.100 -0.113 0.000 0.981 289 R CB -0.298 29.923 30.300 -0.131 0.000 0.870 289 R HN 0.312 nan 8.270 nan 0.000 0.451 290 T N 0.763 115.269 114.554 -0.081 0.000 2.643 290 T HA -0.185 4.166 4.350 0.002 0.000 0.264 290 T C 1.758 176.433 174.700 -0.042 0.000 1.045 290 T CA 1.449 63.532 62.100 -0.028 0.000 1.155 290 T CB -0.207 68.707 68.868 0.076 0.000 0.863 290 T HN 0.281 nan 8.240 nan 0.000 0.420 291 R N 0.831 121.338 120.500 0.011 0.000 2.112 291 R HA -0.208 4.133 4.340 0.002 0.000 0.242 291 R C 2.357 178.625 176.300 -0.054 0.000 1.137 291 R CA 2.024 58.143 56.100 0.032 0.000 0.944 291 R CB -0.263 30.031 30.300 -0.010 0.000 0.857 291 R HN 0.247 nan 8.270 nan 0.000 0.435 292 E N 0.360 120.524 120.200 -0.061 0.000 2.013 292 E HA -0.185 4.166 4.350 0.002 0.000 0.202 292 E C 1.891 178.464 176.600 -0.045 0.000 1.018 292 E CA 1.672 58.042 56.400 -0.052 0.000 0.834 292 E CB -0.327 29.328 29.700 -0.075 0.000 0.770 292 E HN 0.279 nan 8.360 nan 0.000 0.459 293 I N 0.639 121.152 120.570 -0.094 0.000 2.236 293 I HA -0.332 3.839 4.170 0.002 0.000 0.249 293 I C 2.158 178.240 176.117 -0.058 0.000 1.102 293 I CA 1.679 62.935 61.300 -0.073 0.000 1.365 293 I CB -1.409 36.506 38.000 -0.142 0.000 1.051 293 I HN 0.137 nan 8.210 nan 0.000 0.420 294 A N -0.739 121.928 122.820 -0.255 0.000 1.929 294 A HA -0.153 4.168 4.320 0.002 0.000 0.216 294 A C 2.555 179.956 177.584 -0.304 0.000 1.176 294 A CA 1.757 53.486 52.037 -0.512 0.000 0.628 294 A CB -0.653 17.532 19.000 -1.358 0.000 0.816 294 A HN 0.384 nan 8.150 nan 0.000 0.444 295 S N -2.283 113.323 115.700 -0.156 0.000 2.453 295 S HA -0.119 4.352 4.470 0.002 0.000 0.231 295 S C 1.498 176.096 174.600 -0.003 0.000 1.005 295 S CA 1.187 59.349 58.200 -0.063 0.000 0.949 295 S CB -0.369 62.822 63.200 -0.015 0.000 0.774 295 S HN 0.755 nan 8.310 nan 0.000 0.510 296 W N 0.960 122.172 121.300 -0.147 0.000 2.481 296 W HA 0.162 4.822 4.660 0.001 0.000 0.293 296 W C 1.632 178.078 176.519 -0.122 0.000 1.201 296 W CA 0.490 57.765 57.345 -0.116 0.000 1.328 296 W CB -0.369 29.026 29.460 -0.108 0.000 1.112 296 W HN 0.300 nan 8.180 nan 0.000 0.546 297 I N 0.826 121.378 120.570 -0.029 0.000 2.277 297 I HA 0.098 4.269 4.170 0.002 0.000 0.243 297 I C 2.445 178.393 176.117 -0.283 0.000 1.094 297 I CA 2.318 63.480 61.300 -0.230 0.000 1.393 297 I CB -1.137 36.847 38.000 -0.026 0.000 1.078 297 I HN 0.047 nan 8.210 nan 0.000 0.417 298 G N -0.012 108.658 108.800 -0.217 0.000 2.462 298 G HA2 -0.325 3.636 3.960 0.002 0.000 0.220 298 G HA3 -0.325 3.636 3.960 0.002 0.000 0.220 298 G C 1.820 176.597 174.900 -0.204 0.000 1.121 298 G CA 0.728 45.708 45.100 -0.200 0.000 0.758 298 G HN 0.399 nan 8.290 nan 0.000 0.559 299 R N 0.885 121.246 120.500 -0.232 0.000 2.346 299 R HA 0.059 4.400 4.340 0.002 0.000 0.199 299 R C 0.955 177.082 176.300 -0.288 0.000 1.015 299 R CA 0.335 56.298 56.100 -0.229 0.000 1.058 299 R CB -0.002 30.168 30.300 -0.217 0.000 0.921 299 R HN 0.424 nan 8.270 nan 0.000 0.475 300 R N -0.897 119.408 120.500 -0.324 0.000 2.470 300 R HA 0.118 4.459 4.340 0.002 0.000 0.296 300 R C -0.433 175.710 176.300 -0.262 0.000 1.187 300 R CA -0.217 55.695 56.100 -0.315 0.000 1.310 300 R CB -0.289 29.746 30.300 -0.441 0.000 1.369 300 R HN 0.198 nan 8.270 nan 0.000 0.733 301 L N -0.311 120.779 121.223 -0.222 0.000 3.128 301 L HA 0.338 4.679 4.340 0.002 0.000 0.277 301 L C 0.878 177.633 176.870 -0.191 0.000 1.171 301 L CA 0.441 55.157 54.840 -0.206 0.000 1.008 301 L CB 1.014 42.938 42.059 -0.224 0.000 1.442 301 L HN 0.623 nan 8.230 nan 0.000 0.584 302 G N 1.689 110.386 108.800 -0.170 0.000 2.338 302 G HA2 -0.271 3.690 3.960 0.002 0.000 0.296 302 G HA3 -0.271 3.690 3.960 0.002 0.000 0.296 302 G C 0.325 175.133 174.900 -0.154 0.000 1.040 302 G CA 0.559 45.573 45.100 -0.143 0.000 1.004 302 G HN 0.347 nan 8.290 nan 0.000 0.509 303 L N -0.757 120.364 121.223 -0.170 0.000 3.333 303 L HA 0.532 4.873 4.340 0.002 0.000 0.299 303 L C 1.264 178.078 176.870 -0.093 0.000 1.256 303 L CA 0.014 54.751 54.840 -0.172 0.000 1.037 303 L CB 0.065 41.924 42.059 -0.334 0.000 1.423 303 L HN 1.210 nan 8.230 nan 0.000 0.605 304 G N 0.231 108.982 108.800 -0.083 0.000 2.655 304 G HA2 -0.181 3.780 3.960 0.002 0.000 0.680 304 G HA3 -0.181 3.780 3.960 0.002 0.000 0.680 304 G C -0.411 174.458 174.900 -0.052 0.000 1.302 304 G CA -0.798 44.271 45.100 -0.051 0.000 0.872 304 G HN -0.095 nan 8.290 nan 0.000 0.540 305 T N 3.835 118.372 114.554 -0.029 0.000 2.851 305 T HA 0.521 4.872 4.350 0.002 0.000 0.298 305 T C -1.704 173.004 174.700 0.013 0.000 0.977 305 T CA 0.098 62.188 62.100 -0.017 0.000 1.126 305 T CB 1.279 70.144 68.868 -0.004 0.000 0.916 305 T HN 0.610 nan 8.240 nan 0.000 0.529 306 P HA 0.190 nan 4.420 nan 0.000 0.276 306 P C -0.612 176.807 177.300 0.199 0.000 1.235 306 P CA -0.285 62.888 63.100 0.121 0.000 0.772 306 P CB 0.807 32.554 31.700 0.078 0.000 0.871 307 E N 2.761 123.047 120.200 0.143 0.000 2.101 307 E HA 0.419 4.770 4.350 0.002 0.000 0.260 307 E C -0.357 176.196 176.600 -0.078 0.000 0.897 307 E CA -0.944 55.487 56.400 0.053 0.000 0.744 307 E CB 0.842 30.558 29.700 0.026 0.000 1.140 307 E HN 0.495 nan 8.360 nan 0.000 0.419 308 A N 3.401 126.053 122.820 -0.281 0.000 2.591 308 A HA 0.003 4.323 4.320 0.002 0.000 0.244 308 A C 0.494 177.929 177.584 -0.248 0.000 1.031 308 A CA 0.228 51.876 52.037 -0.649 0.000 0.767 308 A CB -0.203 18.337 19.000 -0.767 0.000 0.942 308 A HN 0.589 nan 8.150 nan 0.000 0.514 309 V N 2.942 122.730 119.914 -0.211 0.000 2.372 309 V HA 0.412 4.533 4.120 0.002 0.000 0.261 309 V C 0.515 176.640 176.094 0.052 0.000 1.055 309 V CA -0.785 61.492 62.300 -0.038 0.000 0.930 309 V CB -0.172 31.642 31.823 -0.016 0.000 1.031 309 V HN 0.849 nan 8.190 nan 0.000 0.479 310 R N 3.577 124.132 120.500 0.092 0.000 2.707 310 R HA 0.804 5.145 4.340 0.002 0.000 0.270 310 R C 0.063 176.356 176.300 -0.011 0.000 1.083 310 R CA 0.270 56.409 56.100 0.066 0.000 1.182 310 R CB 1.132 31.448 30.300 0.027 0.000 1.084 310 R HN 1.046 nan 8.270 nan 0.000 0.528 311 A N 1.115 123.891 122.820 -0.073 0.000 2.594 311 A HA 0.259 4.580 4.320 0.002 0.000 0.296 311 A C -1.582 175.901 177.584 -0.169 0.000 1.061 311 A CA -0.729 51.254 52.037 -0.091 0.000 0.689 311 A CB 1.823 20.787 19.000 -0.060 0.000 1.280 311 A HN 0.539 nan 8.150 nan 0.000 0.406 312 Q N 0.432 120.116 119.800 -0.194 0.000 2.267 312 Q HA 0.684 5.025 4.340 0.002 0.000 0.255 312 Q C 0.154 175.848 176.000 -0.509 0.000 0.923 312 Q CA 0.769 56.365 55.803 -0.345 0.000 0.925 312 Q CB 1.440 29.983 28.738 -0.324 0.000 1.195 312 Q HN 1.254 nan 8.270 nan 0.000 0.417 313 A N 2.979 125.416 122.820 -0.640 0.000 2.468 313 A HA 0.875 5.196 4.320 0.002 0.000 0.277 313 A C -1.546 175.430 177.584 -1.013 0.000 1.203 313 A CA -0.404 51.278 52.037 -0.591 0.000 0.932 313 A CB 0.920 19.736 19.000 -0.308 0.000 1.438 313 A HN 0.712 nan 8.150 nan 0.000 0.468 314 Y N -1.263 118.978 120.300 -0.098 0.000 2.521 314 Y HA 0.454 5.005 4.550 0.001 0.000 0.332 314 Y C -0.106 175.804 175.900 0.017 0.000 1.121 314 Y CA -0.697 57.394 58.100 -0.015 0.000 1.037 314 Y CB 1.766 40.264 38.460 0.064 0.000 1.330 314 Y HN 0.581 nan 8.280 nan 0.000 0.452 315 R N 2.922 123.511 120.500 0.148 0.000 2.287 315 R HA 0.405 4.746 4.340 0.002 0.000 0.327 315 R C -1.130 175.248 176.300 0.131 0.000 1.109 315 R CA -0.683 55.467 56.100 0.084 0.000 1.013 315 R CB 0.345 30.677 30.300 0.052 0.000 1.126 315 R HN 0.468 nan 8.270 nan 0.000 0.503 316 L N 1.408 122.701 121.223 0.116 0.000 2.482 316 L HA -0.006 4.335 4.340 0.002 0.000 0.273 316 L C 1.064 178.116 176.870 0.303 0.000 1.228 316 L CA 0.426 55.394 54.840 0.212 0.000 0.827 316 L CB 0.193 42.382 42.059 0.215 0.000 1.099 316 L HN 0.543 nan 8.230 nan 0.000 0.494 317 S N 1.223 117.160 115.700 0.396 0.000 2.572 317 S HA 0.309 4.780 4.470 0.002 0.000 0.279 317 S C 0.208 175.070 174.600 0.437 0.000 1.341 317 S CA -0.857 57.564 58.200 0.369 0.000 1.043 317 S CB 0.284 63.697 63.200 0.356 0.000 0.887 317 S HN 0.315 nan 8.310 nan 0.000 0.516 318 I N 2.934 123.650 120.570 0.243 0.000 2.648 318 I HA 0.208 4.379 4.170 0.002 0.000 0.284 318 I C -1.992 174.060 176.117 -0.109 0.000 1.153 318 I CA -1.961 59.397 61.300 0.095 0.000 1.426 318 I CB -0.224 37.817 38.000 0.068 0.000 1.381 318 I HN 0.522 nan 8.210 nan 0.000 0.571 319 P HA 0.186 nan 4.420 nan 0.000 0.276 319 P C -0.338 176.797 177.300 -0.275 0.000 1.230 319 P CA -0.274 62.382 63.100 -0.739 0.000 0.776 319 P CB 0.374 31.432 31.700 -1.070 0.000 0.888 320 K N 3.419 123.751 120.400 -0.114 0.000 2.184 320 K HA 0.212 4.533 4.320 0.002 0.000 0.259 320 K C -0.368 176.198 176.600 -0.057 0.000 1.119 320 K CA -0.468 55.797 56.287 -0.037 0.000 0.991 320 K CB -0.873 31.644 32.500 0.028 0.000 1.522 320 K HN 0.422 nan 8.250 nan 0.000 0.405 321 L N 2.388 123.563 121.223 -0.080 0.000 2.319 321 L HA 0.503 4.843 4.340 0.002 0.000 0.280 321 L C -0.012 176.835 176.870 -0.039 0.000 1.099 321 L CA -0.022 54.774 54.840 -0.072 0.000 0.828 321 L CB 0.873 42.912 42.059 -0.034 0.000 1.150 321 L HN 0.702 nan 8.230 nan 0.000 0.442 322 M N 3.832 123.389 119.600 -0.072 0.000 2.393 322 M HA 0.442 4.923 4.480 0.002 0.000 0.299 322 M C 0.338 176.647 176.300 0.014 0.000 1.103 322 M CA -0.519 54.767 55.300 -0.024 0.000 0.910 322 M CB 1.921 34.524 32.600 0.005 0.000 1.659 322 M HN 0.696 nan 8.290 nan 0.000 0.445 323 G N 1.221 110.077 108.800 0.094 0.000 3.441 323 G HA2 0.287 4.248 3.960 0.002 0.000 0.195 323 G HA3 0.287 4.248 3.960 0.002 0.000 0.195 323 G C 0.719 175.754 174.900 0.225 0.000 1.633 323 G CA -0.043 45.142 45.100 0.142 0.000 0.895 323 G HN 0.725 nan 8.290 nan 0.000 0.654 324 R N -0.733 119.817 120.500 0.083 0.000 2.127 324 R HA 0.258 4.599 4.340 0.002 0.000 0.217 324 R C 0.865 177.196 176.300 0.051 0.000 1.074 324 R CA 0.521 56.649 56.100 0.047 0.000 0.991 324 R CB 0.139 30.424 30.300 -0.025 0.000 0.895 324 R HN 0.242 nan 8.270 nan 0.000 0.450 325 R N -1.278 119.243 120.500 0.036 0.000 2.905 325 R HA 0.485 4.826 4.340 0.002 0.000 0.260 325 R C -1.196 175.125 176.300 0.035 0.000 1.086 325 R CA -0.335 55.784 56.100 0.032 0.000 0.978 325 R CB 1.418 31.721 30.300 0.006 0.000 1.215 325 R HN 0.179 nan 8.270 nan 0.000 0.480 326 A N 0.362 123.200 122.820 0.030 0.000 2.547 326 A HA 0.348 4.669 4.320 0.002 0.000 0.233 326 A C -0.540 177.052 177.584 0.013 0.000 1.067 326 A CA 0.219 52.272 52.037 0.025 0.000 0.763 326 A CB 0.238 19.252 19.000 0.023 0.000 1.007 326 A HN 0.450 nan 8.150 nan 0.000 0.506 327 V N 1.690 121.612 119.914 0.013 0.000 2.852 327 V HA 0.465 4.586 4.120 0.002 0.000 0.300 327 V C 0.742 176.853 176.094 0.029 0.000 1.205 327 V CA 0.259 62.563 62.300 0.007 0.000 0.940 327 V CB 1.898 33.717 31.823 -0.008 0.000 1.047 327 V HN 1.626 nan 8.190 nan 0.000 0.429 328 S N 4.729 120.449 115.700 0.033 0.000 2.425 328 S HA 0.217 4.688 4.470 0.002 0.000 0.225 328 S C 0.378 175.044 174.600 0.110 0.000 1.024 328 S CA 0.758 59.004 58.200 0.077 0.000 0.951 328 S CB -0.122 63.116 63.200 0.063 0.000 0.796 328 S HN 0.992 nan 8.310 nan 0.000 0.498 329 K N 0.049 120.445 120.400 -0.006 0.000 2.513 329 K HA 0.594 4.915 4.320 0.002 0.000 0.251 329 K C -2.955 173.543 176.600 -0.171 0.000 0.939 329 K CA -2.153 54.048 56.287 -0.143 0.000 0.793 329 K CB 1.268 33.615 32.500 -0.255 0.000 1.241 329 K HN -0.298 nan 8.250 nan 0.000 0.431 330 P HA -0.414 nan 4.420 nan 0.000 0.225 330 P C 0.961 178.127 177.300 -0.223 0.000 1.154 330 P CA 2.645 65.656 63.100 -0.149 0.000 0.885 330 P CB 0.060 31.674 31.700 -0.143 0.000 0.785 331 A N -0.333 122.238 122.820 -0.415 0.000 1.917 331 A HA -0.273 4.048 4.320 0.002 0.000 0.219 331 A C 1.869 179.311 177.584 -0.237 0.000 1.182 331 A CA 2.429 54.184 52.037 -0.471 0.000 0.633 331 A CB -1.598 16.858 19.000 -0.908 0.000 0.819 331 A HN 0.160 nan 8.150 nan 0.000 0.448 332 D N -0.069 120.225 120.400 -0.177 0.000 2.357 332 D HA -0.002 4.639 4.640 0.002 0.000 0.216 332 D C 1.839 178.063 176.300 -0.127 0.000 0.973 332 D CA 1.092 55.026 54.000 -0.110 0.000 0.912 332 D CB -0.207 40.551 40.800 -0.069 0.000 0.900 332 D HN 0.512 nan 8.370 nan 0.000 0.501 333 A N -0.158 122.572 122.820 -0.150 0.000 2.014 333 A HA -0.017 4.304 4.320 0.002 0.000 0.218 333 A C 2.102 179.443 177.584 -0.404 0.000 1.163 333 A CA 0.436 52.340 52.037 -0.221 0.000 0.652 333 A CB -0.402 18.532 19.000 -0.110 0.000 0.808 333 A HN 0.228 nan 8.150 nan 0.000 0.449 334 L N -1.243 119.826 121.223 -0.257 0.000 2.093 334 L HA -0.141 4.200 4.340 0.002 0.000 0.208 334 L C 2.804 179.564 176.870 -0.185 0.000 1.085 334 L CA 1.322 56.031 54.840 -0.218 0.000 0.755 334 L CB -0.304 41.730 42.059 -0.042 0.000 0.904 334 L HN 0.340 nan 8.230 nan 0.000 0.435 335 R N -1.361 119.059 120.500 -0.133 0.000 2.112 335 R HA -0.006 4.335 4.340 0.002 0.000 0.216 335 R C 2.156 178.387 176.300 -0.114 0.000 1.080 335 R CA 0.522 56.572 56.100 -0.085 0.000 0.996 335 R CB -0.036 30.240 30.300 -0.041 0.000 0.902 335 R HN 0.106 nan 8.270 nan 0.000 0.449 336 V N -0.237 119.588 119.914 -0.148 0.000 2.331 336 V HA 0.178 4.299 4.120 0.002 0.000 0.242 336 V C 0.904 176.879 176.094 -0.199 0.000 1.034 336 V CA 1.348 63.567 62.300 -0.136 0.000 1.027 336 V CB -0.039 31.722 31.823 -0.103 0.000 0.667 336 V HN 0.618 nan 8.190 nan 0.000 0.457 337 G N -0.825 107.761 108.800 -0.358 0.000 2.535 337 G HA2 0.049 4.010 3.960 0.002 0.000 0.662 337 G HA3 0.049 4.010 3.960 0.002 0.000 0.662 337 G C -0.741 173.893 174.900 -0.444 0.000 1.417 337 G CA -0.921 43.885 45.100 -0.489 0.000 0.866 337 G HN 0.103 nan 8.290 nan 0.000 0.647 338 F N 0.867 120.763 119.950 -0.090 0.000 2.472 338 F HA 0.473 5.001 4.527 0.002 0.000 0.312 338 F C 1.759 177.583 175.800 0.040 0.000 1.256 338 F CA -0.005 57.969 58.000 -0.042 0.000 1.275 338 F CB 0.205 39.142 39.000 -0.105 0.000 1.228 338 F HN 0.601 nan 8.300 nan 0.000 0.567 339 Y N 1.168 121.555 120.300 0.145 0.000 2.232 339 Y HA 0.120 4.671 4.550 0.002 0.000 0.256 339 Y C 1.602 177.548 175.900 0.076 0.000 1.061 339 Y CA 1.580 59.724 58.100 0.074 0.000 1.059 339 Y CB -0.641 37.855 38.460 0.060 0.000 1.011 339 Y HN 0.427 nan 8.280 nan 0.000 0.472 340 R N 0.264 120.839 120.500 0.125 0.000 2.346 340 R HA 0.817 5.158 4.340 0.002 0.000 0.311 340 R C -1.164 175.169 176.300 0.054 0.000 0.983 340 R CA -0.288 55.818 56.100 0.010 0.000 0.880 340 R CB 0.209 30.521 30.300 0.021 0.000 1.100 340 R HN 0.750 nan 8.270 nan 0.000 0.453 341 A N 2.600 125.436 122.820 0.027 0.000 2.385 341 A HA 0.517 4.838 4.320 0.002 0.000 0.290 341 A C -0.100 177.502 177.584 0.030 0.000 1.094 341 A CA -0.689 51.334 52.037 -0.023 0.000 0.729 341 A CB 0.923 19.907 19.000 -0.028 0.000 1.194 341 A HN 0.964 nan 8.150 nan 0.000 0.442 342 Q N 2.204 122.022 119.800 0.030 0.000 2.318 342 Q HA 0.473 4.814 4.340 0.002 0.000 0.222 342 Q C -0.450 175.637 176.000 0.144 0.000 1.003 342 Q CA -0.609 55.231 55.803 0.063 0.000 0.936 342 Q CB 0.865 29.623 28.738 0.034 0.000 1.204 342 Q HN 0.683 nan 8.270 nan 0.000 0.524 343 E N 0.429 120.695 120.200 0.111 0.000 2.410 343 E HA 0.208 4.559 4.350 0.002 0.000 0.255 343 E C -0.349 176.307 176.600 0.095 0.000 1.194 343 E CA 0.204 56.673 56.400 0.116 0.000 0.955 343 E CB 0.694 30.416 29.700 0.037 0.000 0.988 343 E HN 0.771 nan 8.360 nan 0.000 0.461 344 T N -3.248 111.304 114.554 -0.003 0.000 2.816 344 T HA 0.700 5.051 4.350 0.002 0.000 0.299 344 T C -1.295 173.353 174.700 -0.088 0.000 1.230 344 T CA -1.065 61.021 62.100 -0.023 0.000 1.007 344 T CB 1.766 70.669 68.868 0.058 0.000 1.289 344 T HN 0.540 nan 8.240 nan 0.000 0.508 345 A N 1.653 124.463 122.820 -0.017 0.000 2.476 345 A HA 0.653 4.974 4.320 0.002 0.000 0.280 345 A C -1.602 176.028 177.584 0.077 0.000 1.081 345 A CA -0.657 51.416 52.037 0.059 0.000 0.753 345 A CB 0.612 19.659 19.000 0.077 0.000 1.248 345 A HN 0.619 nan 8.150 nan 0.000 0.424 346 L N 1.578 122.886 121.223 0.142 0.000 2.334 346 L HA 0.865 5.205 4.340 0.002 0.000 0.276 346 L C 0.564 177.628 176.870 0.322 0.000 1.014 346 L CA -0.560 54.398 54.840 0.196 0.000 0.815 346 L CB 1.500 43.708 42.059 0.247 0.000 1.268 346 L HN 0.838 nan 8.230 nan 0.000 0.428 347 A N 2.614 125.558 122.820 0.206 0.000 2.337 347 A HA 0.769 5.090 4.320 0.002 0.000 0.329 347 A C -1.094 176.518 177.584 0.047 0.000 1.146 347 A CA -0.489 51.651 52.037 0.172 0.000 0.800 347 A CB 1.212 20.218 19.000 0.010 0.000 1.220 347 A HN 0.592 nan 8.150 nan 0.000 0.472 348 L N 2.387 123.555 121.223 -0.092 0.000 2.295 348 L HA 0.714 5.055 4.340 0.002 0.000 0.285 348 L C -1.114 175.582 176.870 -0.290 0.000 1.035 348 L CA -0.587 53.966 54.840 -0.478 0.000 0.806 348 L CB 1.438 42.820 42.059 -1.129 0.000 1.214 348 L HN 0.579 nan 8.230 nan 0.000 0.426 349 L N 5.593 126.672 121.223 -0.241 0.000 2.366 349 L HA 0.520 4.861 4.340 0.002 0.000 0.266 349 L C -0.506 176.273 176.870 -0.152 0.000 1.010 349 L CA -0.188 54.569 54.840 -0.138 0.000 0.879 349 L CB 0.628 42.659 42.059 -0.047 0.000 1.228 349 L HN 0.613 nan 8.230 nan 0.000 0.439 350 R N 4.949 125.362 120.500 -0.145 0.000 2.242 350 R HA 0.313 4.654 4.340 0.002 0.000 0.334 350 R C 0.398 176.643 176.300 -0.090 0.000 1.071 350 R CA -0.166 55.863 56.100 -0.118 0.000 0.922 350 R CB 0.702 30.943 30.300 -0.098 0.000 1.023 350 R HN 0.727 nan 8.270 nan 0.000 0.458 351 L N 2.699 123.862 121.223 -0.100 0.000 2.628 351 L HA 0.040 4.381 4.340 0.002 0.000 0.229 351 L C 0.807 177.664 176.870 -0.022 0.000 1.137 351 L CA 0.045 54.819 54.840 -0.111 0.000 0.909 351 L CB -0.325 41.644 42.059 -0.149 0.000 1.137 351 L HN 0.673 nan 8.230 nan 0.000 0.470 352 D N -1.232 119.159 120.400 -0.014 0.000 2.443 352 D HA 0.114 4.755 4.640 0.002 0.000 0.249 352 D C 1.234 177.547 176.300 0.021 0.000 1.218 352 D CA 0.260 54.265 54.000 0.008 0.000 1.108 352 D CB 0.296 41.095 40.800 -0.002 0.000 1.197 352 D HN -0.117 nan 8.370 nan 0.000 0.600 353 G N -0.484 108.325 108.800 0.016 0.000 2.510 353 G HA2 0.328 4.289 3.960 0.002 0.000 0.212 353 G HA3 0.328 4.289 3.960 0.002 0.000 0.212 353 G C 0.937 175.848 174.900 0.019 0.000 1.151 353 G CA 0.738 45.850 45.100 0.021 0.000 0.817 353 G HN 0.743 nan 8.290 nan 0.000 0.534 354 A N -0.284 122.543 122.820 0.011 0.000 2.504 354 A HA 0.373 4.694 4.320 0.002 0.000 0.257 354 A C 1.382 178.974 177.584 0.014 0.000 1.136 354 A CA 0.652 52.695 52.037 0.010 0.000 0.823 354 A CB 0.285 19.285 19.000 0.000 0.000 1.085 354 A HN 0.260 nan 8.150 nan 0.000 0.521 355 Q N -0.714 119.099 119.800 0.021 0.000 2.558 355 Q HA 0.241 4.582 4.340 0.002 0.000 0.186 355 Q C 1.374 177.395 176.000 0.035 0.000 0.894 355 Q CA 0.936 56.764 55.803 0.043 0.000 0.830 355 Q CB -0.851 27.923 28.738 0.059 0.000 1.107 355 Q HN 0.869 nan 8.270 nan 0.000 0.620 356 G N -0.422 108.413 108.800 0.057 0.000 2.574 356 G HA2 0.261 4.222 3.960 0.002 0.000 0.248 356 G HA3 0.261 4.222 3.960 0.002 0.000 0.248 356 G C -1.167 173.763 174.900 0.050 0.000 1.422 356 G CA -0.593 44.563 45.100 0.094 0.000 1.051 356 G HN 0.123 nan 8.290 nan 0.000 0.560 357 W N 0.559 121.827 121.300 -0.054 0.000 2.311 357 W HA 0.454 5.116 4.660 0.002 0.000 0.310 357 W C -1.947 174.493 176.519 -0.131 0.000 1.274 357 W CA -1.532 55.751 57.345 -0.103 0.000 1.215 357 W CB 0.252 29.644 29.460 -0.113 0.000 1.227 357 W HN 0.155 nan 8.180 nan 0.000 0.523 358 P HA -0.105 nan 4.420 nan 0.000 0.263 358 P C 1.153 178.378 177.300 -0.125 0.000 1.195 358 P CA 0.247 63.295 63.100 -0.087 0.000 0.762 358 P CB 0.761 32.288 31.700 -0.287 0.000 0.799 359 E N 4.723 124.944 120.200 0.034 0.000 2.086 359 E HA -0.289 4.062 4.350 0.002 0.000 0.205 359 E C 1.537 178.137 176.600 -0.000 0.000 1.027 359 E CA 2.041 58.467 56.400 0.043 0.000 0.830 359 E CB -1.340 28.416 29.700 0.094 0.000 0.751 359 E HN 0.554 nan 8.360 nan 0.000 0.456 360 F N 0.652 120.524 119.950 -0.130 0.000 2.250 360 F HA -0.028 4.499 4.527 0.001 0.000 0.301 360 F C 2.170 177.801 175.800 -0.281 0.000 1.077 360 F CA 0.549 58.420 58.000 -0.215 0.000 1.348 360 F CB -0.858 37.949 39.000 -0.321 0.000 1.040 360 F HN -0.068 nan 8.300 nan 0.000 0.509 361 L N 0.584 121.311 121.223 -0.827 0.000 2.044 361 L HA -0.009 4.332 4.340 0.002 0.000 0.205 361 L C 2.832 179.619 176.870 -0.139 0.000 1.075 361 L CA 1.514 56.062 54.840 -0.486 0.000 0.747 361 L CB -1.257 40.575 42.059 -0.379 0.000 0.903 361 L HN 0.196 nan 8.230 nan 0.000 0.435 362 R N -0.757 119.667 120.500 -0.127 0.000 2.083 362 R HA -0.152 4.189 4.340 0.002 0.000 0.237 362 R C 2.467 178.689 176.300 -0.131 0.000 1.137 362 R CA 1.405 57.375 56.100 -0.216 0.000 0.951 362 R CB -0.097 30.084 30.300 -0.198 0.000 0.851 362 R HN 0.193 nan 8.270 nan 0.000 0.434 363 R N -0.132 120.331 120.500 -0.061 0.000 2.096 363 R HA -0.143 4.198 4.340 0.002 0.000 0.229 363 R C 2.329 178.660 176.300 0.052 0.000 1.134 363 R CA 1.533 57.635 56.100 0.003 0.000 0.917 363 R CB -0.762 29.565 30.300 0.045 0.000 0.832 363 R HN 0.348 nan 8.270 nan 0.000 0.430 364 A N 1.539 124.413 122.820 0.091 0.000 1.906 364 A HA -0.268 4.053 4.320 0.002 0.000 0.222 364 A C 2.276 179.982 177.584 0.203 0.000 1.282 364 A CA 2.003 54.167 52.037 0.211 0.000 0.675 364 A CB -1.060 18.141 19.000 0.335 0.000 0.838 364 A HN 0.278 nan 8.150 nan 0.000 0.469 365 L N -1.752 119.572 121.223 0.169 0.000 1.961 365 L HA -0.194 4.147 4.340 0.002 0.000 0.210 365 L C 2.478 179.494 176.870 0.243 0.000 1.072 365 L CA 1.122 56.105 54.840 0.237 0.000 0.749 365 L CB -0.695 41.421 42.059 0.096 0.000 0.889 365 L HN 0.311 nan 8.230 nan 0.000 0.432 366 L N 0.452 121.724 121.223 0.082 0.000 2.137 366 L HA -0.290 4.051 4.340 0.002 0.000 0.213 366 L C 3.170 180.106 176.870 0.110 0.000 1.085 366 L CA 2.497 57.373 54.840 0.060 0.000 0.760 366 L CB -1.457 40.586 42.059 -0.027 0.000 0.893 366 L HN 0.298 nan 8.230 nan 0.000 0.434 367 R N -0.937 119.625 120.500 0.105 0.000 2.119 367 R HA 0.158 4.499 4.340 0.002 0.000 0.222 367 R C 2.248 178.587 176.300 0.065 0.000 1.088 367 R CA 1.391 57.538 56.100 0.079 0.000 0.984 367 R CB -1.404 28.942 30.300 0.077 0.000 0.884 367 R HN 0.483 nan 8.270 nan 0.000 0.447 368 A N 0.335 123.216 122.820 0.102 0.000 1.825 368 A HA 0.117 4.438 4.320 0.002 0.000 0.214 368 A C 2.154 179.736 177.584 -0.003 0.000 1.206 368 A CA 1.330 53.350 52.037 -0.029 0.000 0.609 368 A CB -0.701 18.342 19.000 0.072 0.000 0.851 368 A HN 0.467 nan 8.150 nan 0.000 0.445 369 F N 1.034 121.083 119.950 0.165 0.000 2.287 369 F HA -0.126 4.402 4.527 0.001 0.000 0.301 369 F C 2.453 178.297 175.800 0.072 0.000 1.069 369 F CA 0.876 58.986 58.000 0.184 0.000 1.372 369 F CB -0.685 38.395 39.000 0.133 0.000 1.056 369 F HN 0.307 nan 8.300 nan 0.000 0.523 370 G N -0.392 108.516 108.800 0.179 0.000 2.484 370 G HA2 -0.193 3.768 3.960 0.002 0.000 0.215 370 G HA3 -0.193 3.768 3.960 0.002 0.000 0.215 370 G C 1.906 176.829 174.900 0.038 0.000 1.219 370 G CA 0.782 45.938 45.100 0.092 0.000 0.791 370 G HN 0.418 nan 8.290 nan 0.000 0.550 371 A N 0.057 122.869 122.820 -0.013 0.000 2.070 371 A HA 0.248 4.568 4.320 0.002 0.000 0.220 371 A C 1.841 179.390 177.584 -0.059 0.000 1.159 371 A CA 1.223 53.231 52.037 -0.048 0.000 0.656 371 A CB -0.333 18.613 19.000 -0.090 0.000 0.800 371 A HN 0.323 nan 8.150 nan 0.000 0.453 372 S N -1.131 114.529 115.700 -0.066 0.000 2.614 372 S HA 0.407 4.878 4.470 0.002 0.000 0.265 372 S C 1.669 176.300 174.600 0.051 0.000 1.303 372 S CA -0.185 57.998 58.200 -0.028 0.000 1.000 372 S CB 1.189 64.394 63.200 0.009 0.000 0.935 372 S HN 0.532 nan 8.310 nan 0.000 0.551 373 G N 1.346 110.182 108.800 0.059 0.000 2.806 373 G HA2 0.021 3.982 3.960 0.002 0.000 0.214 373 G HA3 0.021 3.982 3.960 0.002 0.000 0.214 373 G C 0.634 175.595 174.900 0.102 0.000 1.331 373 G CA 0.875 46.011 45.100 0.060 0.000 0.807 373 G HN 0.938 nan 8.290 nan 0.000 0.644 374 A N -1.277 121.632 122.820 0.149 0.000 2.260 374 A HA 0.632 4.953 4.320 0.002 0.000 0.278 374 A C 0.468 178.230 177.584 0.296 0.000 1.269 374 A CA 0.735 52.880 52.037 0.181 0.000 0.824 374 A CB 0.433 19.534 19.000 0.169 0.000 1.238 374 A HN 0.751 nan 8.150 nan 0.000 0.507 375 S N -2.126 113.694 115.700 0.200 0.000 2.632 375 S HA 0.679 5.150 4.470 0.002 0.000 0.289 375 S C -0.547 173.952 174.600 -0.168 0.000 1.115 375 S CA -0.465 57.794 58.200 0.098 0.000 0.889 375 S CB 0.890 64.103 63.200 0.022 0.000 1.116 375 S HN 1.048 nan 8.310 nan 0.000 0.486 376 L N 0.689 121.595 121.223 -0.528 0.000 2.341 376 L HA 0.833 5.174 4.340 0.002 0.000 0.267 376 L C -0.941 175.711 176.870 -0.363 0.000 1.022 376 L CA -1.176 53.300 54.840 -0.607 0.000 0.844 376 L CB 1.306 42.662 42.059 -1.171 0.000 1.436 376 L HN 0.583 nan 8.230 nan 0.000 0.483 377 R N 1.149 121.474 120.500 -0.292 0.000 2.514 377 R HA 0.601 4.942 4.340 0.002 0.000 0.296 377 R C -1.095 175.067 176.300 -0.231 0.000 1.012 377 R CA -0.667 55.283 56.100 -0.249 0.000 0.897 377 R CB 2.084 32.288 30.300 -0.161 0.000 1.184 377 R HN 0.553 nan 8.270 nan 0.000 0.440 378 L N 2.601 123.616 121.223 -0.346 0.000 2.468 378 L HA 0.522 4.862 4.340 0.002 0.000 0.254 378 L C 0.393 177.125 176.870 -0.230 0.000 1.171 378 L CA -0.526 54.154 54.840 -0.266 0.000 0.809 378 L CB 0.584 42.245 42.059 -0.663 0.000 1.155 378 L HN 0.528 nan 8.230 nan 0.000 0.473 379 H N -0.685 118.486 119.070 0.170 0.000 3.037 379 H HA 0.349 4.906 4.556 0.002 0.000 0.355 379 H C -1.318 174.130 175.328 0.201 0.000 1.263 379 H CA -0.598 55.529 56.048 0.132 0.000 1.129 379 H CB 2.496 32.290 29.762 0.053 0.000 1.861 379 H HN 0.437 nan 8.280 nan 0.000 0.546 380 T N 2.653 117.289 114.554 0.136 0.000 2.965 380 T HA 0.273 4.624 4.350 0.002 0.000 0.306 380 T C 0.275 174.738 174.700 -0.396 0.000 0.991 380 T CA -0.726 61.310 62.100 -0.106 0.000 1.001 380 T CB 0.817 69.608 68.868 -0.128 0.000 0.984 380 T HN 0.215 nan 8.240 nan 0.000 0.446 381 L N 3.948 125.020 121.223 -0.253 0.000 2.462 381 L HA 0.177 4.518 4.340 0.002 0.000 0.272 381 L C 0.750 177.468 176.870 -0.253 0.000 1.166 381 L CA -0.068 54.648 54.840 -0.206 0.000 0.880 381 L CB 0.168 42.173 42.059 -0.089 0.000 1.142 381 L HN 0.662 nan 8.230 nan 0.000 0.473 382 H N 3.701 122.813 119.070 0.070 0.000 2.476 382 H HA 0.581 5.138 4.556 0.002 0.000 0.256 382 H C -0.209 175.188 175.328 0.116 0.000 1.321 382 H CA -0.098 55.997 56.048 0.079 0.000 1.056 382 H CB 0.519 30.317 29.762 0.061 0.000 1.643 382 H HN 0.667 nan 8.280 nan 0.000 0.541 383 A N 0.552 123.529 122.820 0.261 0.000 2.587 383 A HA 0.453 4.774 4.320 0.002 0.000 0.293 383 A C -1.429 176.362 177.584 0.345 0.000 1.087 383 A CA -0.683 51.561 52.037 0.345 0.000 0.692 383 A CB 2.379 21.629 19.000 0.416 0.000 1.291 383 A HN 0.429 nan 8.150 nan 0.000 0.407 384 H N 2.090 121.204 119.070 0.073 0.000 2.538 384 H HA 0.402 4.959 4.556 0.001 0.000 0.353 384 H C -1.990 172.921 175.328 -0.695 0.000 1.109 384 H CA -1.794 54.090 56.048 -0.272 0.000 1.192 384 H CB 2.510 32.185 29.762 -0.145 0.000 1.555 384 H HN 0.372 nan 8.280 nan 0.000 0.518 385 P HA -0.235 nan 4.420 nan 0.000 0.219 385 P C 1.094 178.234 177.300 -0.267 0.000 1.149 385 P CA 1.814 64.255 63.100 -1.097 0.000 0.835 385 P CB 0.221 31.475 31.700 -0.744 0.000 0.778 386 S N -0.675 115.039 115.700 0.024 0.000 2.436 386 S HA -0.085 4.386 4.470 0.002 0.000 0.228 386 S C 1.945 176.550 174.600 0.008 0.000 1.014 386 S CA 0.262 58.462 58.200 0.001 0.000 0.950 386 S CB -1.102 62.056 63.200 -0.070 0.000 0.784 386 S HN 0.218 nan 8.310 nan 0.000 0.504 387 Q N 1.727 121.551 119.800 0.041 0.000 2.576 387 Q HA 0.138 4.479 4.340 0.002 0.000 0.218 387 Q C 1.551 177.611 176.000 0.100 0.000 0.983 387 Q CA 0.303 56.154 55.803 0.081 0.000 0.920 387 Q CB -0.934 27.890 28.738 0.143 0.000 0.973 387 Q HN 0.751 nan 8.270 nan 0.000 0.528 388 G N 0.093 108.951 108.800 0.096 0.000 2.596 388 G HA2 -0.473 3.488 3.960 0.002 0.000 0.295 388 G HA3 -0.473 3.488 3.960 0.002 0.000 0.295 388 G C 1.081 176.056 174.900 0.124 0.000 1.240 388 G CA 0.928 46.084 45.100 0.095 0.000 0.985 388 G HN 0.599 nan 8.290 nan 0.000 0.555 389 L N -1.171 120.099 121.223 0.080 0.000 2.151 389 L HA 0.166 4.507 4.340 0.002 0.000 0.215 389 L C 3.659 180.573 176.870 0.073 0.000 1.084 389 L CA 4.357 59.235 54.840 0.064 0.000 0.764 389 L CB -2.151 39.931 42.059 0.039 0.000 0.891 389 L HN 2.475 nan 8.230 nan 0.000 0.435 390 A N -1.212 121.664 122.820 0.093 0.000 1.865 390 A HA -0.191 4.130 4.320 0.002 0.000 0.217 390 A C 2.308 179.973 177.584 0.135 0.000 1.191 390 A CA 1.802 53.899 52.037 0.100 0.000 0.623 390 A CB -0.843 18.223 19.000 0.109 0.000 0.826 390 A HN 0.911 nan 8.150 nan 0.000 0.444 391 F N 0.356 120.318 119.950 0.021 0.000 2.069 391 F HA -0.158 4.370 4.527 0.002 0.000 0.298 391 F C 2.464 178.263 175.800 -0.002 0.000 1.113 391 F CA 2.059 60.066 58.000 0.012 0.000 1.214 391 F CB -0.384 38.625 39.000 0.014 0.000 0.978 391 F HN 0.141 nan 8.300 nan 0.000 0.474 392 R N 0.272 120.789 120.500 0.027 0.000 2.083 392 R HA -0.203 4.138 4.340 0.002 0.000 0.237 392 R C 2.309 178.539 176.300 -0.117 0.000 1.137 392 R CA 1.746 57.796 56.100 -0.084 0.000 0.951 392 R CB -0.660 29.646 30.300 0.010 0.000 0.851 392 R HN 0.274 nan 8.270 nan 0.000 0.434 393 E N 0.248 120.416 120.200 -0.054 0.000 2.204 393 E HA -0.143 4.208 4.350 0.002 0.000 0.195 393 E C 1.587 178.138 176.600 -0.083 0.000 0.990 393 E CA 1.130 57.500 56.400 -0.050 0.000 0.821 393 E CB 0.022 29.714 29.700 -0.013 0.000 0.750 393 E HN 0.404 nan 8.360 nan 0.000 0.477 394 A N 0.904 123.651 122.820 -0.122 0.000 1.873 394 A HA -0.120 4.201 4.320 0.002 0.000 0.215 394 A C 2.408 179.865 177.584 -0.211 0.000 1.186 394 A CA 1.055 53.004 52.037 -0.147 0.000 0.616 394 A CB -0.709 18.194 19.000 -0.161 0.000 0.823 394 A HN 0.280 nan 8.150 nan 0.000 0.442 395 L N -0.741 120.289 121.223 -0.322 0.000 2.079 395 L HA -0.273 4.068 4.340 0.002 0.000 0.210 395 L C 3.328 180.094 176.870 -0.173 0.000 1.081 395 L CA 1.559 56.230 54.840 -0.282 0.000 0.752 395 L CB -0.942 40.927 42.059 -0.317 0.000 0.896 395 L HN 0.576 nan 8.230 nan 0.000 0.433 396 R N 1.013 121.430 120.500 -0.137 0.000 2.080 396 R HA -0.208 4.133 4.340 0.002 0.000 0.236 396 R C 2.176 178.426 176.300 -0.083 0.000 1.137 396 R CA 2.072 58.117 56.100 -0.092 0.000 0.943 396 R CB -1.199 29.061 30.300 -0.068 0.000 0.846 396 R HN 0.404 nan 8.270 nan 0.000 0.431 397 K N -0.179 120.174 120.400 -0.080 0.000 2.057 397 K HA 0.010 4.331 4.320 0.002 0.000 0.207 397 K C 2.664 179.209 176.600 -0.091 0.000 1.049 397 K CA 1.162 57.410 56.287 -0.064 0.000 0.931 397 K CB -0.334 32.141 32.500 -0.041 0.000 0.714 397 K HN 0.463 nan 8.250 nan 0.000 0.440 398 A N 2.027 124.772 122.820 -0.124 0.000 1.873 398 A HA -0.263 4.058 4.320 0.002 0.000 0.218 398 A C 2.091 179.571 177.584 -0.174 0.000 1.193 398 A CA 1.927 53.859 52.037 -0.174 0.000 0.629 398 A CB -0.467 18.424 19.000 -0.182 0.000 0.826 398 A HN 0.232 nan 8.150 nan 0.000 0.447 399 K N -0.849 119.472 120.400 -0.131 0.000 2.148 399 K HA -0.174 4.147 4.320 0.002 0.000 0.204 399 K C 2.046 178.596 176.600 -0.084 0.000 1.050 399 K CA 1.545 57.770 56.287 -0.103 0.000 0.942 399 K CB -0.069 32.382 32.500 -0.082 0.000 0.724 399 K HN 0.459 nan 8.250 nan 0.000 0.446 400 E N 0.975 121.130 120.200 -0.075 0.000 2.047 400 E HA -0.169 4.182 4.350 0.002 0.000 0.191 400 E C 1.664 178.232 176.600 -0.053 0.000 0.987 400 E CA 2.047 58.415 56.400 -0.053 0.000 0.799 400 E CB -0.089 29.585 29.700 -0.043 0.000 0.752 400 E HN 0.392 nan 8.360 nan 0.000 0.449 401 E N -0.477 119.681 120.200 -0.069 0.000 2.505 401 E HA 0.185 4.536 4.350 0.002 0.000 0.197 401 E C 1.364 177.917 176.600 -0.078 0.000 1.111 401 E CA 1.014 57.382 56.400 -0.055 0.000 0.887 401 E CB -1.052 28.625 29.700 -0.037 0.000 0.913 401 E HN 0.507 nan 8.360 nan 0.000 0.517 402 G N -1.245 107.500 108.800 -0.091 0.000 2.349 402 G HA2 -0.256 3.705 3.960 0.002 0.000 0.213 402 G HA3 -0.256 3.705 3.960 0.002 0.000 0.213 402 G C 0.871 175.702 174.900 -0.115 0.000 1.044 402 G CA -0.149 44.904 45.100 -0.079 0.000 0.633 402 G HN 1.019 nan 8.290 nan 0.000 0.506 403 V N 2.260 122.032 119.914 -0.236 0.000 2.814 403 V HA -0.048 4.073 4.120 0.002 0.000 0.298 403 V C 1.593 177.630 176.094 -0.094 0.000 1.195 403 V CA 2.229 64.403 62.300 -0.211 0.000 1.323 403 V CB 0.868 32.520 31.823 -0.285 0.000 0.842 403 V HN 0.716 nan 8.190 nan 0.000 0.494 404 Q N 3.462 123.237 119.800 -0.043 0.000 2.396 404 Q HA 0.521 4.862 4.340 0.002 0.000 0.220 404 Q C 0.492 176.495 176.000 0.005 0.000 0.900 404 Q CA 0.849 56.646 55.803 -0.010 0.000 0.925 404 Q CB 0.735 29.480 28.738 0.013 0.000 1.065 404 Q HN 0.918 nan 8.270 nan 0.000 0.535 405 A N 0.260 123.086 122.820 0.010 0.000 2.577 405 A HA 0.549 4.870 4.320 0.002 0.000 0.297 405 A C -1.240 176.359 177.584 0.024 0.000 1.060 405 A CA -0.668 51.381 52.037 0.020 0.000 0.697 405 A CB 1.362 20.384 19.000 0.038 0.000 1.281 405 A HN -0.022 nan 8.150 nan 0.000 0.402 406 V N 1.648 121.564 119.914 0.005 0.000 2.617 406 V HA 0.604 4.725 4.120 0.002 0.000 0.298 406 V C -0.354 175.732 176.094 -0.013 0.000 1.048 406 V CA -0.534 61.760 62.300 -0.010 0.000 0.964 406 V CB 1.477 33.279 31.823 -0.035 0.000 1.004 406 V HN 0.888 nan 8.190 nan 0.000 0.466 407 L N 5.446 126.635 121.223 -0.057 0.000 2.294 407 L HA 0.592 4.933 4.340 0.002 0.000 0.283 407 L C -0.498 176.286 176.870 -0.144 0.000 1.015 407 L CA 0.084 54.873 54.840 -0.084 0.000 0.831 407 L CB 1.454 43.447 42.059 -0.111 0.000 1.217 407 L HN 0.437 nan 8.230 nan 0.000 0.420 408 V N 6.748 126.609 119.914 -0.088 0.000 2.364 408 V HA 0.329 4.450 4.120 0.002 0.000 0.272 408 V C 0.253 176.293 176.094 -0.090 0.000 1.036 408 V CA -0.437 61.806 62.300 -0.095 0.000 0.880 408 V CB 1.154 32.942 31.823 -0.057 0.000 0.991 408 V HN 0.593 nan 8.190 nan 0.000 0.460 409 L N 5.377 126.526 121.223 -0.122 0.000 2.255 409 L HA 0.656 4.997 4.340 0.002 0.000 0.289 409 L C 0.177 177.006 176.870 -0.067 0.000 1.046 409 L CA 0.309 55.092 54.840 -0.095 0.000 0.816 409 L CB 1.439 43.417 42.059 -0.136 0.000 1.197 409 L HN 0.810 nan 8.230 nan 0.000 0.427 410 T N 3.810 118.342 114.554 -0.035 0.000 2.840 410 T HA 0.482 4.833 4.350 0.002 0.000 0.317 410 T C -2.845 171.854 174.700 -0.002 0.000 1.401 410 T CA -1.401 60.684 62.100 -0.026 0.000 1.028 410 T CB 2.308 71.152 68.868 -0.039 0.000 1.317 410 T HN 0.083 nan 8.240 nan 0.000 0.495 411 P HA 0.332 nan 4.420 nan 0.000 0.272 411 P C -2.583 174.728 177.300 0.020 0.000 1.230 411 P CA -0.934 62.176 63.100 0.017 0.000 0.788 411 P CB -0.417 31.292 31.700 0.016 0.000 0.949 412 P HA -0.060 nan 4.420 nan 0.000 0.261 412 P C -0.462 176.857 177.300 0.032 0.000 1.158 412 P CA 1.294 64.415 63.100 0.036 0.000 0.758 412 P CB -0.005 31.720 31.700 0.041 0.000 0.763 413 M N 2.559 122.179 119.600 0.033 0.000 2.180 413 M HA 0.407 4.888 4.480 0.002 0.000 0.350 413 M C 0.376 176.705 176.300 0.049 0.000 1.125 413 M CA -0.771 54.543 55.300 0.024 0.000 1.031 413 M CB 1.581 34.180 32.600 -0.001 0.000 1.623 413 M HN 0.304 nan 8.290 nan 0.000 0.451 414 A N 2.632 125.483 122.820 0.051 0.000 2.566 414 A HA -0.093 4.228 4.320 0.002 0.000 0.245 414 A C 0.716 178.371 177.584 0.120 0.000 1.056 414 A CA 0.036 52.129 52.037 0.093 0.000 0.757 414 A CB -0.193 18.852 19.000 0.076 0.000 0.979 414 A HN 1.141 nan 8.150 nan 0.000 0.508 415 W N 2.418 123.725 121.300 0.011 0.000 2.244 415 W HA -0.388 4.276 4.660 0.007 0.000 0.336 415 W C 2.196 178.722 176.519 0.012 0.000 1.352 415 W CA 2.868 60.221 57.345 0.013 0.000 1.343 415 W CB 0.117 29.585 29.460 0.013 0.000 1.111 415 W HN 0.864 nan 8.180 nan 0.000 0.481 416 E N -0.848 119.309 120.200 -0.072 0.000 2.285 416 E HA -0.167 4.184 4.350 0.002 0.000 0.194 416 E C 1.497 177.962 176.600 -0.225 0.000 0.997 416 E CA 1.737 57.957 56.400 -0.300 0.000 0.845 416 E CB -0.953 28.724 29.700 -0.038 0.000 0.782 416 E HN 0.365 nan 8.360 nan 0.000 0.491 417 D N 0.999 121.328 120.400 -0.119 0.000 2.149 417 D HA -0.114 4.527 4.640 0.002 0.000 0.201 417 D C 1.996 178.222 176.300 -0.124 0.000 0.972 417 D CA 0.560 54.505 54.000 -0.093 0.000 0.835 417 D CB -0.087 40.686 40.800 -0.045 0.000 0.966 417 D HN 0.133 nan 8.370 nan 0.000 0.476 418 R N 1.421 121.833 120.500 -0.147 0.000 2.082 418 R HA -0.120 4.221 4.340 0.002 0.000 0.234 418 R C 1.599 177.783 176.300 -0.193 0.000 1.136 418 R CA 1.147 57.161 56.100 -0.143 0.000 0.935 418 R CB -0.505 29.718 30.300 -0.128 0.000 0.842 418 R HN 0.096 nan 8.270 nan 0.000 0.430 419 N N 0.931 119.426 118.700 -0.342 0.000 2.205 419 N HA -0.151 4.590 4.740 0.002 0.000 0.186 419 N C 1.944 177.336 175.510 -0.195 0.000 1.015 419 N CA 1.190 54.046 53.050 -0.324 0.000 0.862 419 N CB -0.292 37.858 38.487 -0.560 0.000 0.986 419 N HN 0.316 nan 8.380 nan 0.000 0.429 420 R N 0.200 120.595 120.500 -0.174 0.000 2.062 420 R HA -0.024 4.317 4.340 0.002 0.000 0.231 420 R C 2.131 178.394 176.300 -0.063 0.000 1.136 420 R CA 0.673 56.710 56.100 -0.104 0.000 0.948 420 R CB -0.601 29.645 30.300 -0.089 0.000 0.845 420 R HN 0.093 nan 8.270 nan 0.000 0.430 421 L N 1.823 123.009 121.223 -0.063 0.000 2.013 421 L HA -0.218 4.123 4.340 0.002 0.000 0.212 421 L C 1.949 178.817 176.870 -0.004 0.000 1.073 421 L CA 1.883 56.708 54.840 -0.025 0.000 0.753 421 L CB -0.274 41.758 42.059 -0.046 0.000 0.890 421 L HN 0.036 nan 8.230 nan 0.000 0.432 422 K N -0.936 119.447 120.400 -0.029 0.000 2.057 422 K HA -0.134 4.187 4.320 0.002 0.000 0.207 422 K C 2.045 178.642 176.600 -0.004 0.000 1.049 422 K CA 1.317 57.598 56.287 -0.009 0.000 0.931 422 K CB -0.359 32.133 32.500 -0.012 0.000 0.714 422 K HN 0.492 nan 8.250 nan 0.000 0.440 423 A N 1.671 124.477 122.820 -0.024 0.000 1.877 423 A HA -0.183 4.138 4.320 0.002 0.000 0.216 423 A C 2.130 179.705 177.584 -0.016 0.000 1.186 423 A CA 1.244 53.267 52.037 -0.025 0.000 0.620 423 A CB -0.666 18.310 19.000 -0.039 0.000 0.822 423 A HN 0.248 nan 8.150 nan 0.000 0.443 424 L N -0.133 121.089 121.223 -0.001 0.000 1.944 424 L HA -0.198 4.143 4.340 0.002 0.000 0.218 424 L C 2.384 179.262 176.870 0.014 0.000 1.075 424 L CA 2.165 57.020 54.840 0.024 0.000 0.767 424 L CB -0.637 41.467 42.059 0.075 0.000 0.890 424 L HN 0.420 nan 8.230 nan 0.000 0.434 425 L N -1.242 119.997 121.223 0.027 0.000 2.129 425 L HA -0.257 4.084 4.340 0.002 0.000 0.212 425 L C 2.468 179.318 176.870 -0.034 0.000 1.087 425 L CA 0.974 55.808 54.840 -0.010 0.000 0.757 425 L CB -0.568 41.496 42.059 0.008 0.000 0.896 425 L HN 0.406 nan 8.230 nan 0.000 0.434 426 L N -0.516 120.689 121.223 -0.029 0.000 2.027 426 L HA -0.146 4.195 4.340 0.002 0.000 0.206 426 L C 2.732 179.557 176.870 -0.075 0.000 1.074 426 L CA 1.616 56.418 54.840 -0.063 0.000 0.745 426 L CB -0.695 41.322 42.059 -0.071 0.000 0.898 426 L HN 0.117 nan 8.230 nan 0.000 0.433 427 R N 0.107 120.575 120.500 -0.053 0.000 2.091 427 R HA -0.109 4.232 4.340 0.002 0.000 0.238 427 R C 1.768 178.042 176.300 -0.043 0.000 1.136 427 R CA 0.916 56.990 56.100 -0.043 0.000 0.959 427 R CB -0.887 29.398 30.300 -0.025 0.000 0.856 427 R HN 0.418 nan 8.270 nan 0.000 0.437 428 E N -0.067 120.103 120.200 -0.050 0.000 2.533 428 E HA 0.001 4.352 4.350 0.002 0.000 0.201 428 E C 0.844 177.408 176.600 -0.060 0.000 1.097 428 E CA 0.696 57.059 56.400 -0.062 0.000 0.887 428 E CB -0.308 29.336 29.700 -0.092 0.000 0.855 428 E HN 0.547 nan 8.360 nan 0.000 0.540 429 G N 0.915 109.682 108.800 -0.056 0.000 2.143 429 G HA2 -0.293 3.668 3.960 0.002 0.000 0.248 429 G HA3 -0.293 3.668 3.960 0.002 0.000 0.248 429 G C 0.106 174.981 174.900 -0.041 0.000 0.991 429 G CA 0.209 45.280 45.100 -0.048 0.000 0.689 429 G HN 0.265 nan 8.290 nan 0.000 0.522 430 L N 0.872 122.067 121.223 -0.048 0.000 2.294 430 L HA 0.420 4.761 4.340 0.002 0.000 0.283 430 L C -2.106 174.759 176.870 -0.008 0.000 1.015 430 L CA -2.234 52.586 54.840 -0.033 0.000 0.831 430 L CB 2.043 44.067 42.059 -0.058 0.000 1.217 430 L HN -0.138 nan 8.230 nan 0.000 0.420 431 P HA 0.158 nan 4.420 nan 0.000 0.272 431 P C -0.883 176.441 177.300 0.040 0.000 1.230 431 P CA -0.233 62.911 63.100 0.073 0.000 0.788 431 P CB 1.053 32.821 31.700 0.112 0.000 0.949 432 S N 0.177 115.902 115.700 0.042 0.000 2.546 432 S HA 0.631 5.102 4.470 0.002 0.000 0.274 432 S C -1.351 173.256 174.600 0.012 0.000 1.121 432 S CA -0.768 57.443 58.200 0.019 0.000 0.887 432 S CB 1.767 64.974 63.200 0.011 0.000 1.094 432 S HN 0.285 nan 8.310 nan 0.000 0.474 433 Q N 1.538 121.343 119.800 0.008 0.000 2.331 433 Q HA 0.656 4.997 4.340 0.002 0.000 0.267 433 Q C -1.568 174.437 176.000 0.008 0.000 1.006 433 Q CA -0.517 55.293 55.803 0.012 0.000 0.818 433 Q CB 1.159 29.913 28.738 0.027 0.000 1.276 433 Q HN 0.818 nan 8.270 nan 0.000 0.450 434 I N 4.180 124.760 120.570 0.015 0.000 2.385 434 I HA 0.376 4.547 4.170 0.002 0.000 0.294 434 I C -0.896 175.242 176.117 0.034 0.000 0.988 434 I CA -1.077 60.230 61.300 0.012 0.000 1.265 434 I CB 1.392 39.399 38.000 0.012 0.000 1.388 434 I HN 0.542 nan 8.210 nan 0.000 0.480 435 L N 7.387 128.628 121.223 0.029 0.000 2.457 435 L HA 0.466 4.807 4.340 0.002 0.000 0.266 435 L C -0.749 176.149 176.870 0.047 0.000 0.979 435 L CA -0.495 54.382 54.840 0.061 0.000 0.857 435 L CB 0.945 43.048 42.059 0.073 0.000 1.213 435 L HN 0.406 nan 8.230 nan 0.000 0.418 436 N N 3.384 122.121 118.700 0.061 0.000 2.412 436 N HA -0.030 4.710 4.740 0.002 0.000 0.258 436 N C 1.242 176.786 175.510 0.055 0.000 1.236 436 N CA 0.237 53.318 53.050 0.051 0.000 0.882 436 N CB 1.598 40.120 38.487 0.058 0.000 1.066 436 N HN 0.603 nan 8.380 nan 0.000 0.465 437 V N 4.656 124.590 119.914 0.034 0.000 2.252 437 V HA -0.109 4.012 4.120 0.002 0.000 0.249 437 V C -1.204 174.921 176.094 0.053 0.000 1.056 437 V CA 1.342 63.661 62.300 0.032 0.000 1.022 437 V CB -1.016 30.814 31.823 0.011 0.000 0.641 437 V HN 0.757 nan 8.190 nan 0.000 0.445 438 P HA 0.016 nan 4.420 nan 0.000 0.237 438 P C -0.888 176.465 177.300 0.087 0.000 1.149 438 P CA 0.850 63.986 63.100 0.059 0.000 1.254 438 P CB -0.224 31.506 31.700 0.051 0.000 1.382 439 L N 4.565 125.853 121.223 0.108 0.000 2.404 439 L HA 0.429 4.770 4.340 0.002 0.000 0.272 439 L C -0.101 176.868 176.870 0.165 0.000 0.980 439 L CA -0.689 54.252 54.840 0.169 0.000 0.836 439 L CB 1.753 43.938 42.059 0.211 0.000 1.238 439 L HN 0.115 nan 8.230 nan 0.000 0.408 440 R N 2.800 123.370 120.500 0.116 0.000 2.540 440 R HA 0.311 4.652 4.340 0.002 0.000 0.287 440 R C 0.554 176.779 176.300 -0.125 0.000 0.980 440 R CA -0.407 55.682 56.100 -0.019 0.000 0.966 440 R CB 1.270 31.566 30.300 -0.007 0.000 1.106 440 R HN 0.752 nan 8.270 nan 0.000 0.480 441 E N 1.763 121.602 120.200 -0.602 0.000 2.515 441 E HA -0.140 4.211 4.350 0.002 0.000 0.201 441 E C 0.293 176.863 176.600 -0.050 0.000 1.071 441 E CA 0.834 56.690 56.400 -0.908 0.000 0.880 441 E CB 0.211 28.917 29.700 -1.656 0.000 0.828 441 E HN 0.546 nan 8.360 nan 0.000 0.540 442 E N 1.291 121.491 120.200 0.001 0.000 2.474 442 E HA -0.031 4.320 4.350 0.002 0.000 0.194 442 E C 0.505 177.161 176.600 0.093 0.000 1.041 442 E CA 0.149 56.581 56.400 0.053 0.000 0.874 442 E CB -0.102 29.598 29.700 -0.000 0.000 0.914 442 E HN 0.466 nan 8.360 nan 0.000 0.498 443 E N 1.727 122.046 120.200 0.199 0.000 2.322 443 E HA 0.059 4.409 4.350 0.002 0.000 0.195 443 E C 1.113 177.748 176.600 0.057 0.000 1.198 443 E CA -0.343 56.161 56.400 0.173 0.000 1.132 443 E CB -0.062 29.790 29.700 0.253 0.000 1.213 443 E HN 0.133 nan 8.360 nan 0.000 0.450 444 R N 0.353 120.808 120.500 -0.076 0.000 2.259 444 R HA -0.301 4.040 4.340 0.002 0.000 0.247 444 R C 1.509 177.294 176.300 -0.858 0.000 1.114 444 R CA 2.318 58.072 56.100 -0.577 0.000 0.926 444 R CB -0.686 29.322 30.300 -0.487 0.000 0.937 444 R HN 0.524 nan 8.270 nan 0.000 0.434 445 H N -1.020 117.770 119.070 -0.467 0.000 2.319 445 H HA -0.116 4.441 4.556 0.002 0.000 0.297 445 H C 2.403 177.589 175.328 -0.236 0.000 1.097 445 H CA 1.983 57.716 56.048 -0.526 0.000 1.285 445 H CB -0.160 29.202 29.762 -0.668 0.000 1.368 445 H HN 0.199 nan 8.280 nan 0.000 0.495 446 R N 0.818 121.302 120.500 -0.027 0.000 2.070 446 R HA -0.138 4.202 4.340 0.002 0.000 0.232 446 R C 2.164 178.554 176.300 0.149 0.000 1.138 446 R CA 1.872 58.024 56.100 0.087 0.000 0.936 446 R CB -0.357 30.030 30.300 0.144 0.000 0.839 446 R HN 0.645 nan 8.270 nan 0.000 0.429 447 W N 0.709 122.113 121.300 0.173 0.000 2.519 447 W HA -0.035 4.625 4.660 0.001 0.000 0.266 447 W C 0.807 177.434 176.519 0.179 0.000 1.253 447 W CA 0.272 57.718 57.345 0.168 0.000 1.274 447 W CB -0.508 29.071 29.460 0.197 0.000 1.114 447 W HN 0.129 nan 8.180 nan 0.000 0.596 448 E N 1.041 121.126 120.200 -0.192 0.000 2.208 448 E HA -0.133 4.218 4.350 0.002 0.000 0.193 448 E C 1.727 178.385 176.600 0.098 0.000 0.988 448 E CA 0.859 57.202 56.400 -0.096 0.000 0.828 448 E CB -0.241 29.344 29.700 -0.192 0.000 0.763 448 E HN 0.522 nan 8.360 nan 0.000 0.478 449 N N 0.544 119.341 118.700 0.161 0.000 2.173 449 N HA -0.060 4.681 4.740 0.002 0.000 0.184 449 N C 2.006 177.584 175.510 0.114 0.000 1.025 449 N CA 0.597 53.730 53.050 0.138 0.000 0.852 449 N CB 0.009 38.601 38.487 0.176 0.000 0.998 449 N HN 0.027 nan 8.380 nan 0.000 0.427 450 A N 1.445 124.357 122.820 0.154 0.000 1.903 450 A HA -0.182 4.139 4.320 0.002 0.000 0.219 450 A C 2.047 179.717 177.584 0.144 0.000 1.191 450 A CA 1.338 53.463 52.037 0.146 0.000 0.638 450 A CB -0.759 18.354 19.000 0.187 0.000 0.823 450 A HN 0.140 nan 8.150 nan 0.000 0.451 451 L N -1.225 120.118 121.223 0.201 0.000 1.994 451 L HA -0.137 4.204 4.340 0.002 0.000 0.208 451 L C 2.392 179.339 176.870 0.128 0.000 1.071 451 L CA 1.463 56.428 54.840 0.208 0.000 0.745 451 L CB -0.976 41.260 42.059 0.294 0.000 0.892 451 L HN 0.302 nan 8.230 nan 0.000 0.431 452 L N -0.545 120.728 121.223 0.083 0.000 2.079 452 L HA -0.150 4.191 4.340 0.002 0.000 0.210 452 L C 2.426 179.278 176.870 -0.030 0.000 1.081 452 L CA 2.030 56.880 54.840 0.016 0.000 0.752 452 L CB -1.656 40.378 42.059 -0.042 0.000 0.896 452 L HN 0.341 nan 8.230 nan 0.000 0.433 453 G N -1.321 107.468 108.800 -0.018 0.000 2.414 453 G HA2 -0.208 3.753 3.960 0.002 0.000 0.215 453 G HA3 -0.208 3.753 3.960 0.002 0.000 0.215 453 G C 1.695 176.575 174.900 -0.034 0.000 1.188 453 G CA 0.581 45.647 45.100 -0.057 0.000 0.783 453 G HN 0.291 nan 8.290 nan 0.000 0.537 454 L N 0.037 121.274 121.223 0.023 0.000 1.978 454 L HA -0.159 4.182 4.340 0.002 0.000 0.218 454 L C 3.038 179.926 176.870 0.030 0.000 1.075 454 L CA 1.521 56.389 54.840 0.047 0.000 0.767 454 L CB -0.378 41.745 42.059 0.108 0.000 0.890 454 L HN 0.247 nan 8.230 nan 0.000 0.434 455 L N -0.716 120.522 121.223 0.025 0.000 2.013 455 L HA -0.254 4.087 4.340 0.002 0.000 0.212 455 L C 2.781 179.608 176.870 -0.071 0.000 1.073 455 L CA 1.476 56.295 54.840 -0.035 0.000 0.753 455 L CB -0.722 41.270 42.059 -0.112 0.000 0.890 455 L HN 0.345 nan 8.230 nan 0.000 0.432 456 A N -0.306 122.463 122.820 -0.084 0.000 1.969 456 A HA -0.193 4.128 4.320 0.002 0.000 0.218 456 A C 2.271 179.812 177.584 -0.071 0.000 1.169 456 A CA 1.470 53.448 52.037 -0.099 0.000 0.635 456 A CB -0.316 18.587 19.000 -0.161 0.000 0.810 456 A HN 0.324 nan 8.150 nan 0.000 0.445 457 K N -0.471 119.891 120.400 -0.063 0.000 2.365 457 K HA 0.065 4.386 4.320 0.002 0.000 0.199 457 K C 1.804 178.422 176.600 0.030 0.000 1.045 457 K CA 0.782 57.053 56.287 -0.025 0.000 0.962 457 K CB -0.130 32.358 32.500 -0.021 0.000 0.759 457 K HN 0.450 nan 8.250 nan 0.000 0.469 458 A N 0.144 122.975 122.820 0.019 0.000 2.195 458 A HA 0.215 4.536 4.320 0.002 0.000 0.210 458 A C 1.282 178.885 177.584 0.032 0.000 1.165 458 A CA 0.781 52.838 52.037 0.034 0.000 0.806 458 A CB 0.087 19.109 19.000 0.038 0.000 0.847 458 A HN 0.345 nan 8.150 nan 0.000 0.482 459 G N -1.598 107.215 108.800 0.023 0.000 2.131 459 G HA2 -0.123 3.838 3.960 0.002 0.000 0.201 459 G HA3 -0.123 3.838 3.960 0.002 0.000 0.201 459 G C -0.261 174.632 174.900 -0.012 0.000 1.000 459 G CA 0.019 45.136 45.100 0.029 0.000 0.680 459 G HN 0.338 nan 8.290 nan 0.000 0.514 460 L N 0.935 122.120 121.223 -0.064 0.000 2.276 460 L HA 0.444 4.785 4.340 0.002 0.000 0.286 460 L C 0.969 177.774 176.870 -0.110 0.000 1.061 460 L CA -0.102 54.652 54.840 -0.143 0.000 0.807 460 L CB 1.634 43.491 42.059 -0.337 0.000 1.177 460 L HN 0.318 nan 8.230 nan 0.000 0.429 461 Q N 2.735 122.510 119.800 -0.043 0.000 2.381 461 Q HA 0.104 4.445 4.340 0.002 0.000 0.243 461 Q C 0.731 176.763 176.000 0.052 0.000 1.154 461 Q CA -0.331 55.495 55.803 0.039 0.000 0.899 461 Q CB 0.713 29.526 28.738 0.126 0.000 1.396 461 Q HN 0.692 nan 8.270 nan 0.000 0.485 462 V N 3.641 123.573 119.914 0.031 0.000 2.216 462 V HA -0.158 3.963 4.120 0.002 0.000 0.243 462 V C 0.917 177.117 176.094 0.176 0.000 1.044 462 V CA 1.605 63.987 62.300 0.136 0.000 0.995 462 V CB -0.717 31.150 31.823 0.072 0.000 0.633 462 V HN 0.665 nan 8.190 nan 0.000 0.446 463 V N -2.963 116.993 119.914 0.070 0.000 2.876 463 V HA 0.980 5.101 4.120 0.002 0.000 0.312 463 V C -0.553 175.467 176.094 -0.122 0.000 1.085 463 V CA -0.527 61.775 62.300 0.004 0.000 0.945 463 V CB 1.392 33.212 31.823 -0.005 0.000 1.017 463 V HN 0.482 nan 8.190 nan 0.000 0.428 464 A N 3.771 126.370 122.820 -0.368 0.000 2.384 464 A HA 0.893 5.214 4.320 0.002 0.000 0.312 464 A C -0.710 176.629 177.584 -0.407 0.000 1.113 464 A CA -0.969 50.765 52.037 -0.504 0.000 0.779 464 A CB 1.645 20.019 19.000 -1.043 0.000 1.307 464 A HN 1.017 nan 8.150 nan 0.000 0.436 465 L N 1.836 122.900 121.223 -0.265 0.000 2.281 465 L HA 0.474 4.815 4.340 0.002 0.000 0.285 465 L C 1.007 177.862 176.870 -0.025 0.000 1.074 465 L CA -0.148 54.616 54.840 -0.125 0.000 0.817 465 L CB 1.143 43.137 42.059 -0.109 0.000 1.168 465 L HN 0.932 nan 8.230 nan 0.000 0.434 466 S N 2.781 118.486 115.700 0.009 0.000 2.474 466 S HA 0.695 5.165 4.470 0.002 0.000 0.276 466 S C 0.469 175.152 174.600 0.139 0.000 1.227 466 S CA 0.248 58.488 58.200 0.066 0.000 1.050 466 S CB 0.758 63.989 63.200 0.051 0.000 0.939 466 S HN 0.870 nan 8.310 nan 0.000 0.490 467 G N 0.152 109.034 108.800 0.137 0.000 2.369 467 G HA2 0.614 4.575 3.960 0.002 0.000 0.295 467 G HA3 0.614 4.575 3.960 0.002 0.000 0.295 467 G C -0.842 174.059 174.900 0.003 0.000 1.298 467 G CA -0.060 45.065 45.100 0.042 0.000 0.940 467 G HN 1.766 nan 8.290 nan 0.000 0.536 468 A N -0.438 122.255 122.820 -0.212 0.000 2.304 468 A HA 0.901 5.222 4.320 0.002 0.000 0.323 468 A C -1.171 176.147 177.584 -0.443 0.000 1.195 468 A CA -0.412 51.522 52.037 -0.172 0.000 0.826 468 A CB 0.749 19.673 19.000 -0.127 0.000 1.184 468 A HN 1.117 nan 8.150 nan 0.000 0.496 469 Y N 1.878 122.184 120.300 0.009 0.000 2.576 469 Y HA 0.491 5.042 4.550 0.002 0.000 0.346 469 Y C -1.207 174.690 175.900 -0.005 0.000 1.018 469 Y CA -1.514 56.591 58.100 0.008 0.000 1.050 469 Y CB 1.609 40.077 38.460 0.013 0.000 1.280 469 Y HN 0.590 nan 8.280 nan 0.000 0.474 470 P HA -0.051 nan 4.420 nan 0.000 0.214 470 P C -0.072 177.272 177.300 0.074 0.000 1.162 470 P CA 1.026 64.167 63.100 0.069 0.000 0.879 470 P CB 0.182 31.911 31.700 0.048 0.000 0.786 471 A N 0.137 123.008 122.820 0.085 0.000 2.290 471 A HA 0.227 4.548 4.320 0.002 0.000 0.310 471 A C 1.175 178.780 177.584 0.034 0.000 1.202 471 A CA -0.456 51.609 52.037 0.047 0.000 0.837 471 A CB 0.659 19.678 19.000 0.031 0.000 1.139 471 A HN 0.079 nan 8.150 nan 0.000 0.509 472 E N 0.846 121.052 120.200 0.009 0.000 2.285 472 E HA 0.043 4.394 4.350 0.002 0.000 0.194 472 E C -0.434 176.108 176.600 -0.097 0.000 0.997 472 E CA 0.413 56.817 56.400 0.006 0.000 0.845 472 E CB 0.125 29.850 29.700 0.042 0.000 0.782 472 E HN 0.560 nan 8.360 nan 0.000 0.491 473 L N 0.072 121.189 121.223 -0.178 0.000 2.409 473 L HA 0.520 4.861 4.340 0.002 0.000 0.272 473 L C -1.624 175.153 176.870 -0.155 0.000 0.980 473 L CA -0.530 54.130 54.840 -0.299 0.000 0.826 473 L CB 1.916 43.614 42.059 -0.602 0.000 1.268 473 L HN -0.158 nan 8.230 nan 0.000 0.407 474 A N 4.942 127.691 122.820 -0.118 0.000 2.285 474 A HA 0.680 5.001 4.320 0.002 0.000 0.310 474 A C -1.230 176.315 177.584 -0.065 0.000 1.266 474 A CA -0.464 51.538 52.037 -0.058 0.000 0.832 474 A CB 1.275 20.247 19.000 -0.047 0.000 1.163 474 A HN 0.882 nan 8.150 nan 0.000 0.499 475 V N 2.802 122.673 119.914 -0.073 0.000 2.513 475 V HA 0.890 5.011 4.120 0.002 0.000 0.299 475 V C 0.298 176.249 176.094 -0.238 0.000 1.035 475 V CA 0.323 62.509 62.300 -0.190 0.000 0.889 475 V CB 1.456 33.097 31.823 -0.303 0.000 0.988 475 V HN 1.154 nan 8.190 nan 0.000 0.440 476 G N 5.423 114.070 108.800 -0.255 0.000 2.416 476 G HA2 0.705 4.666 3.960 0.002 0.000 0.329 476 G HA3 0.705 4.666 3.960 0.002 0.000 0.329 476 G C -1.459 173.315 174.900 -0.210 0.000 1.173 476 G CA -0.544 44.500 45.100 -0.092 0.000 0.929 476 G HN 0.622 nan 8.290 nan 0.000 0.475 477 F N 0.282 120.346 119.950 0.189 0.000 2.495 477 F HA 0.541 5.068 4.527 0.001 0.000 0.327 477 F C -0.230 175.801 175.800 0.387 0.000 1.103 477 F CA -1.446 56.704 58.000 0.250 0.000 0.949 477 F CB 2.728 41.839 39.000 0.186 0.000 1.142 477 F HN 0.375 nan 8.300 nan 0.000 0.457 478 D N 1.388 122.126 120.400 0.565 0.000 2.757 478 D HA 0.633 5.274 4.640 0.002 0.000 0.249 478 D C -0.913 175.515 176.300 0.214 0.000 1.168 478 D CA -0.302 53.897 54.000 0.331 0.000 0.870 478 D CB 1.684 42.572 40.800 0.147 0.000 1.411 478 D HN 0.780 nan 8.370 nan 0.000 0.525 479 A N 2.261 124.903 122.820 -0.297 0.000 2.388 479 A HA 0.515 4.836 4.320 0.002 0.000 0.257 479 A C 1.423 178.845 177.584 -0.269 0.000 1.095 479 A CA 0.213 51.769 52.037 -0.802 0.000 0.791 479 A CB 0.827 19.099 19.000 -1.215 0.000 1.029 479 A HN 0.745 nan 8.150 nan 0.000 0.489 480 G N 1.479 110.192 108.800 -0.146 0.000 2.511 480 G HA2 0.341 4.302 3.960 0.002 0.000 0.217 480 G HA3 0.341 4.302 3.960 0.002 0.000 0.217 480 G C 0.676 175.579 174.900 0.005 0.000 1.133 480 G CA 0.781 45.878 45.100 -0.005 0.000 0.792 480 G HN 1.244 nan 8.290 nan 0.000 0.539 481 G N -0.278 108.517 108.800 -0.009 0.000 2.574 481 G HA2 0.451 4.412 3.960 0.002 0.000 0.306 481 G HA3 0.451 4.412 3.960 0.002 0.000 0.306 481 G C 0.752 175.625 174.900 -0.045 0.000 1.334 481 G CA -0.582 44.552 45.100 0.058 0.000 0.954 481 G HN -0.065 nan 8.290 nan 0.000 0.500 482 R N 1.856 122.330 120.500 -0.043 0.000 2.189 482 R HA -0.241 4.100 4.340 0.002 0.000 0.252 482 R C 2.403 178.664 176.300 -0.066 0.000 1.134 482 R CA 2.177 58.240 56.100 -0.060 0.000 0.954 482 R CB -0.945 29.336 30.300 -0.030 0.000 0.890 482 R HN 0.718 nan 8.270 nan 0.000 0.443 483 E N 1.036 121.221 120.200 -0.024 0.000 2.427 483 E HA 0.035 4.386 4.350 0.002 0.000 0.196 483 E C 0.880 177.473 176.600 -0.011 0.000 1.028 483 E CA 0.804 57.198 56.400 -0.009 0.000 0.864 483 E CB 0.064 29.774 29.700 0.017 0.000 0.813 483 E HN 0.554 nan 8.360 nan 0.000 0.514 484 S N -2.698 112.973 115.700 -0.049 0.000 2.633 484 S HA 0.470 4.941 4.470 0.002 0.000 0.271 484 S C -0.682 173.857 174.600 -0.102 0.000 1.112 484 S CA -0.518 57.671 58.200 -0.018 0.000 0.828 484 S CB -0.279 62.946 63.200 0.042 0.000 1.086 484 S HN 0.208 nan 8.310 nan 0.000 0.461 485 F N 1.276 121.235 119.950 0.015 0.000 2.695 485 F HA 0.393 4.923 4.527 0.004 0.000 0.301 485 F C 2.230 177.996 175.800 -0.057 0.000 1.182 485 F CA -0.155 57.845 58.000 -0.000 0.000 1.412 485 F CB -0.235 38.746 39.000 -0.033 0.000 1.056 485 F HN 0.646 nan 8.300 nan 0.000 0.522 486 R N -0.026 120.464 120.500 -0.018 0.000 2.120 486 R HA -0.101 4.240 4.340 0.002 0.000 0.234 486 R C 0.381 176.415 176.300 -0.443 0.000 1.123 486 R CA 1.280 57.226 56.100 -0.258 0.000 0.975 486 R CB -0.111 29.952 30.300 -0.395 0.000 0.866 486 R HN 0.220 nan 8.270 nan 0.000 0.446 487 F N 0.841 120.809 119.950 0.030 0.000 2.848 487 F HA 0.352 4.884 4.527 0.007 0.000 0.321 487 F C 0.768 176.591 175.800 0.039 0.000 1.281 487 F CA 0.129 58.143 58.000 0.024 0.000 1.209 487 F CB 1.064 40.064 39.000 0.001 0.000 1.152 487 F HN 0.252 nan 8.300 nan 0.000 0.521 488 G N 0.293 109.196 108.800 0.171 0.000 2.796 488 G HA2 0.257 4.218 3.960 0.002 0.000 0.226 488 G HA3 0.257 4.218 3.960 0.002 0.000 0.226 488 G C -0.089 174.966 174.900 0.258 0.000 1.381 488 G CA -0.522 44.696 45.100 0.197 0.000 0.867 488 G HN 1.115 nan 8.290 nan 0.000 0.552 489 G N -2.375 106.603 108.800 0.296 0.000 2.321 489 G HA2 0.876 4.837 3.960 0.002 0.000 0.296 489 G HA3 0.876 4.837 3.960 0.002 0.000 0.296 489 G C -0.486 174.598 174.900 0.306 0.000 1.287 489 G CA 1.053 46.371 45.100 0.364 0.000 0.846 489 G HN 2.606 nan 8.290 nan 0.000 0.508 490 A N -1.509 121.500 122.820 0.314 0.000 2.524 490 A HA 1.160 5.481 4.320 0.002 0.000 0.286 490 A C -0.384 177.300 177.584 0.168 0.000 1.203 490 A CA 0.137 52.286 52.037 0.185 0.000 0.736 490 A CB 1.429 20.481 19.000 0.087 0.000 1.322 490 A HN 2.645 nan 8.150 nan 0.000 0.424 491 A N -1.036 121.819 122.820 0.058 0.000 2.577 491 A HA 0.612 4.933 4.320 0.002 0.000 0.297 491 A C -1.047 176.507 177.584 -0.050 0.000 1.060 491 A CA -0.267 51.726 52.037 -0.073 0.000 0.697 491 A CB 0.602 19.439 19.000 -0.271 0.000 1.281 491 A HN 1.484 nan 8.150 nan 0.000 0.402 492 C N 0.843 120.102 119.300 -0.069 0.000 2.707 492 C HA 1.024 5.485 4.460 0.002 0.000 0.313 492 C C 0.568 175.548 174.990 -0.017 0.000 1.209 492 C CA 0.338 59.382 59.018 0.042 0.000 1.635 492 C CB 1.502 29.321 27.740 0.131 0.000 2.206 492 C HN 1.569 nan 8.230 nan 0.000 0.485 493 A N 1.189 124.036 122.820 0.045 0.000 2.566 493 A HA 0.929 5.250 4.320 0.002 0.000 0.292 493 A C -1.702 175.928 177.584 0.078 0.000 1.112 493 A CA -0.381 51.661 52.037 0.008 0.000 0.707 493 A CB 1.288 20.262 19.000 -0.044 0.000 1.302 493 A HN 0.730 nan 8.150 nan 0.000 0.409 494 V N 0.698 120.635 119.914 0.038 0.000 2.577 494 V HA 0.730 4.851 4.120 0.002 0.000 0.303 494 V C 0.603 176.710 176.094 0.022 0.000 1.042 494 V CA 0.317 62.653 62.300 0.059 0.000 0.872 494 V CB 1.519 33.355 31.823 0.020 0.000 0.998 494 V HN 1.453 nan 8.190 nan 0.000 0.423 495 G N 2.075 110.939 108.800 0.107 0.000 3.209 495 G HA2 0.799 4.760 3.960 0.002 0.000 0.236 495 G HA3 0.799 4.760 3.960 0.002 0.000 0.236 495 G C 0.257 175.163 174.900 0.011 0.000 1.329 495 G CA -0.171 45.002 45.100 0.121 0.000 1.015 495 G HN 1.528 nan 8.290 nan 0.000 0.571 499 G N 0.841 109.578 108.800 -0.106 0.000 2.186 499 G HA2 -0.004 3.957 3.960 0.002 0.000 0.130 499 G HA3 -0.004 3.957 3.960 0.002 0.000 0.130 499 G C -0.032 174.863 174.900 -0.009 0.000 1.031 499 G CA 0.383 45.443 45.100 -0.067 0.000 0.697 499 G HN 1.489 nan 8.290 nan 0.000 0.494 500 H N -0.908 118.218 119.070 0.093 0.000 2.467 500 H HA 0.752 5.309 4.556 0.001 0.000 0.331 500 H C -0.076 175.322 175.328 0.116 0.000 1.120 500 H CA -0.683 55.414 56.048 0.082 0.000 1.270 500 H CB 1.786 31.575 29.762 0.044 0.000 1.466 500 H HN 0.369 nan 8.280 nan 0.000 0.504 501 L N 1.499 122.889 121.223 0.278 0.000 2.342 501 L HA 0.647 4.988 4.340 0.002 0.000 0.271 501 L C -0.820 176.186 176.870 0.227 0.000 1.008 501 L CA -1.142 53.840 54.840 0.236 0.000 0.818 501 L CB 1.329 43.497 42.059 0.182 0.000 1.296 501 L HN 0.704 nan 8.230 nan 0.000 0.427 502 L N -1.360 119.997 121.223 0.223 0.000 2.510 502 L HA 0.859 5.200 4.340 0.002 0.000 0.252 502 L C -1.392 175.630 176.870 0.253 0.000 1.091 502 L CA -0.704 54.243 54.840 0.180 0.000 0.888 502 L CB 1.737 43.810 42.059 0.024 0.000 1.507 502 L HN 0.948 nan 8.230 nan 0.000 0.407 503 W N -1.231 120.192 121.300 0.205 0.000 2.882 503 W HA 0.877 5.539 4.660 0.003 0.000 0.345 503 W C -1.657 174.932 176.519 0.116 0.000 1.125 503 W CA -0.825 56.618 57.345 0.164 0.000 1.167 503 W CB 1.325 30.953 29.460 0.280 0.000 1.431 503 W HN 0.622 nan 8.180 nan 0.000 0.543 504 T N 2.675 117.414 114.554 0.308 0.000 2.912 504 T HA 0.592 4.943 4.350 0.002 0.000 0.299 504 T C -0.907 173.963 174.700 0.283 0.000 1.052 504 T CA -0.598 61.597 62.100 0.159 0.000 0.996 504 T CB 2.076 70.943 68.868 -0.002 0.000 1.070 504 T HN 0.340 nan 8.240 nan 0.000 0.465 505 L N 2.954 124.340 121.223 0.272 0.000 2.362 505 L HA 0.654 4.995 4.340 0.002 0.000 0.275 505 L C -1.915 175.030 176.870 0.124 0.000 0.998 505 L CA -1.966 53.013 54.840 0.232 0.000 0.820 505 L CB 1.958 44.208 42.059 0.319 0.000 1.270 505 L HN 0.583 nan 8.230 nan 0.000 0.415 506 P HA 0.144 nan 4.420 nan 0.000 0.266 506 P C -0.110 177.221 177.300 0.052 0.000 1.186 506 P CA 0.333 63.471 63.100 0.063 0.000 0.767 506 P CB 0.310 32.063 31.700 0.088 0.000 0.820 507 E N 1.982 122.191 120.200 0.014 0.000 2.341 507 E HA 0.462 4.813 4.350 0.002 0.000 0.256 507 E C 0.926 177.554 176.600 0.048 0.000 1.125 507 E CA 0.250 56.656 56.400 0.010 0.000 0.939 507 E CB -0.975 28.708 29.700 -0.028 0.000 0.991 507 E HN 1.027 nan 8.360 nan 0.000 0.458 508 A N 1.805 124.680 122.820 0.091 0.000 2.617 508 A HA 0.391 4.712 4.320 0.002 0.000 0.232 508 A C 0.950 178.580 177.584 0.077 0.000 1.027 508 A CA 1.998 54.105 52.037 0.116 0.000 0.806 508 A CB -0.603 18.558 19.000 0.269 0.000 0.908 508 A HN 2.336 nan 8.150 nan 0.000 0.484 509 Q N -0.560 119.275 119.800 0.059 0.000 2.713 509 Q HA 0.771 5.112 4.340 0.002 0.000 0.325 509 Q C -0.290 175.741 176.000 0.052 0.000 0.693 509 Q CA 0.581 56.415 55.803 0.052 0.000 1.058 509 Q CB -0.853 nan 28.738 nan 0.000 1.228 509 Q HN 3.021 nan 8.270 nan 0.000 0.477 510 A N -1.293 121.571 122.820 0.072 0.000 1.518 510 A HA 0.765 5.086 4.320 0.002 0.000 0.231 510 A C 0.398 178.049 177.584 0.111 0.000 0.946 510 A CA 1.112 53.205 52.037 0.092 0.000 0.693 510 A CB -0.281 18.751 19.000 0.053 0.000 0.601 510 A HN 3.022 nan 8.150 nan 0.000 0.324 511 G N 2.037 110.950 108.800 0.189 0.000 2.764 511 G HA2 0.535 4.496 3.960 0.002 0.000 0.678 511 G HA3 0.535 4.496 3.960 0.002 0.000 0.678 511 G C -0.683 174.302 174.900 0.142 0.000 1.341 511 G CA -0.039 45.168 45.100 0.179 0.000 0.836 511 G HN 1.758 nan 8.290 nan 0.000 0.632 512 E N 0.806 121.051 120.200 0.075 0.000 2.461 512 E HA 0.562 4.913 4.350 0.002 0.000 0.263 512 E C 0.681 177.193 176.600 -0.146 0.000 1.143 512 E CA 0.218 56.474 56.400 -0.241 0.000 0.994 512 E CB 0.469 30.017 29.700 -0.252 0.000 0.973 512 E HN 0.675 nan 8.360 nan 0.000 0.457 513 R N 0.438 120.819 120.500 -0.197 0.000 2.808 513 R HA 0.208 4.549 4.340 0.002 0.000 0.254 513 R C -0.899 175.340 176.300 -0.101 0.000 1.145 513 R CA -0.540 55.499 56.100 -0.102 0.000 1.066 513 R CB 0.943 31.212 30.300 -0.053 0.000 1.268 513 R HN 0.514 nan 8.270 nan 0.000 0.447 514 I N 5.466 125.995 120.570 -0.069 0.000 3.247 514 I HA -0.192 3.979 4.170 0.002 0.000 0.309 514 I C -1.342 174.749 176.117 -0.043 0.000 1.246 514 I CA -0.326 60.941 61.300 -0.054 0.000 1.384 514 I CB 0.060 38.040 38.000 -0.033 0.000 1.401 514 I HN 0.385 nan 8.210 nan 0.000 0.520 515 P HA -0.322 nan 4.420 nan 0.000 0.219 515 P C 1.436 178.712 177.300 -0.040 0.000 1.159 515 P CA 1.658 64.758 63.100 -0.001 0.000 0.944 515 P CB -0.080 31.637 31.700 0.028 0.000 0.792 516 Q N -0.151 119.619 119.800 -0.051 0.000 2.173 516 Q HA -0.246 4.095 4.340 0.002 0.000 0.208 516 Q C 1.847 177.816 176.000 -0.051 0.000 0.989 516 Q CA 1.824 57.576 55.803 -0.084 0.000 0.872 516 Q CB -1.334 27.372 28.738 -0.054 0.000 0.909 516 Q HN 0.482 nan 8.270 nan 0.000 0.420 517 E N 0.676 120.870 120.200 -0.011 0.000 2.072 517 E HA -0.074 4.277 4.350 0.002 0.000 0.190 517 E C 2.312 178.915 176.600 0.005 0.000 0.982 517 E CA 1.069 57.497 56.400 0.046 0.000 0.803 517 E CB 0.007 29.727 29.700 0.035 0.000 0.755 517 E HN 0.142 nan 8.360 nan 0.000 0.453 518 V N 1.134 121.027 119.914 -0.036 0.000 2.332 518 V HA -0.236 3.885 4.120 0.002 0.000 0.248 518 V C 2.329 178.336 176.094 -0.145 0.000 1.055 518 V CA 1.341 63.612 62.300 -0.048 0.000 1.038 518 V CB -0.391 31.441 31.823 0.015 0.000 0.651 518 V HN 0.131 nan 8.190 nan 0.000 0.450 519 V N -0.622 119.128 119.914 -0.273 0.000 2.358 519 V HA -0.253 3.868 4.120 0.002 0.000 0.246 519 V C 2.076 178.002 176.094 -0.281 0.000 1.047 519 V CA 2.285 64.264 62.300 -0.535 0.000 1.035 519 V CB -0.560 30.702 31.823 -0.935 0.000 0.658 519 V HN 0.832 nan 8.190 nan 0.000 0.452 520 W N 1.250 122.376 121.300 -0.291 0.000 2.388 520 W HA -0.224 4.437 4.660 0.001 0.000 0.294 520 W C 2.113 178.573 176.519 -0.099 0.000 1.212 520 W CA 1.795 59.032 57.345 -0.179 0.000 1.271 520 W CB -0.138 29.237 29.460 -0.142 0.000 1.126 520 W HN 0.506 nan 8.180 nan 0.000 0.535 521 D N 0.994 121.178 120.400 -0.359 0.000 2.123 521 D HA -0.258 4.383 4.640 0.002 0.000 0.196 521 D C 2.329 178.410 176.300 -0.365 0.000 0.992 521 D CA 2.144 55.882 54.000 -0.437 0.000 0.833 521 D CB -0.659 40.019 40.800 -0.203 0.000 0.954 521 D HN 0.214 nan 8.370 nan 0.000 0.455 522 L N -0.365 120.728 121.223 -0.217 0.000 2.042 522 L HA -0.135 4.206 4.340 0.002 0.000 0.210 522 L C 2.450 179.239 176.870 -0.134 0.000 1.076 522 L CA 0.741 55.510 54.840 -0.118 0.000 0.749 522 L CB -0.463 41.590 42.059 -0.009 0.000 0.893 522 L HN 0.244 nan 8.230 nan 0.000 0.432 523 L N 0.222 121.387 121.223 -0.097 0.000 2.109 523 L HA -0.181 4.160 4.340 0.002 0.000 0.207 523 L C 2.433 179.118 176.870 -0.309 0.000 1.086 523 L CA 1.925 56.729 54.840 -0.060 0.000 0.760 523 L CB -0.574 41.597 42.059 0.187 0.000 0.910 523 L HN 0.311 nan 8.230 nan 0.000 0.437 524 E N -0.378 119.361 120.200 -0.769 0.000 2.058 524 E HA -0.244 4.106 4.350 0.002 0.000 0.194 524 E C 1.986 178.386 176.600 -0.333 0.000 0.997 524 E CA 1.770 57.653 56.400 -0.862 0.000 0.801 524 E CB -0.434 28.428 29.700 -1.397 0.000 0.746 524 E HN 0.498 nan 8.360 nan 0.000 0.450 525 E N -0.143 119.886 120.200 -0.285 0.000 2.077 525 E HA -0.125 4.226 4.350 0.002 0.000 0.193 525 E C 2.175 178.761 176.600 -0.022 0.000 0.989 525 E CA 1.852 58.167 56.400 -0.142 0.000 0.800 525 E CB -0.449 29.154 29.700 -0.162 0.000 0.746 525 E HN 0.441 nan 8.360 nan 0.000 0.452 526 T N 1.948 116.461 114.554 -0.067 0.000 2.720 526 T HA -0.140 4.211 4.350 0.002 0.000 0.268 526 T C 2.173 176.908 174.700 0.058 0.000 1.037 526 T CA 0.922 63.008 62.100 -0.023 0.000 1.144 526 T CB -0.278 68.536 68.868 -0.090 0.000 0.864 526 T HN 0.086 nan 8.240 nan 0.000 0.444 527 L N -0.988 120.261 121.223 0.044 0.000 2.017 527 L HA -0.084 4.257 4.340 0.002 0.000 0.208 527 L C 2.453 179.437 176.870 0.190 0.000 1.073 527 L CA 1.519 56.423 54.840 0.107 0.000 0.745 527 L CB -0.479 41.634 42.059 0.090 0.000 0.894 527 L HN 0.355 nan 8.230 nan 0.000 0.432 528 W N 0.643 121.936 121.300 -0.011 0.000 2.315 528 W HA -0.332 4.329 4.660 0.002 0.000 0.323 528 W C 2.646 179.162 176.519 -0.004 0.000 1.233 528 W CA 2.441 59.778 57.345 -0.014 0.000 1.267 528 W CB -0.386 29.036 29.460 -0.063 0.000 1.160 528 W HN 0.162 nan 8.180 nan 0.000 0.474 529 A N -0.351 122.675 122.820 0.343 0.000 1.927 529 A HA -0.322 3.999 4.320 0.002 0.000 0.220 529 A C 1.950 179.535 177.584 0.002 0.000 1.185 529 A CA 1.972 54.098 52.037 0.147 0.000 0.639 529 A CB -1.621 17.432 19.000 0.087 0.000 0.820 529 A HN 0.498 nan 8.150 nan 0.000 0.451 530 F N 0.389 120.307 119.950 -0.053 0.000 2.216 530 F HA -0.159 4.369 4.527 0.001 0.000 0.300 530 F C 2.383 178.135 175.800 -0.080 0.000 1.085 530 F CA 1.766 59.755 58.000 -0.019 0.000 1.326 530 F CB -0.155 38.864 39.000 0.030 0.000 1.027 530 F HN 0.163 nan 8.300 nan 0.000 0.497 531 R N -0.287 120.144 120.500 -0.116 0.000 2.061 531 R HA -0.082 4.259 4.340 0.002 0.000 0.230 531 R C 2.435 178.505 176.300 -0.382 0.000 1.140 531 R CA 1.598 57.543 56.100 -0.258 0.000 0.940 531 R CB -0.839 29.265 30.300 -0.326 0.000 0.839 531 R HN 0.150 nan 8.270 nan 0.000 0.429 532 R N 2.016 122.182 120.500 -0.556 0.000 2.377 532 R HA -0.041 4.300 4.340 0.002 0.000 0.207 532 R C 1.403 177.492 176.300 -0.352 0.000 1.075 532 R CA 1.211 57.005 56.100 -0.510 0.000 1.035 532 R CB -0.715 29.144 30.300 -0.735 0.000 0.857 532 R HN 0.190 nan 8.270 nan 0.000 0.475 533 K N -2.277 117.904 120.400 -0.365 0.000 2.481 533 K HA 0.355 4.675 4.320 0.002 0.000 0.210 533 K C 0.921 177.283 176.600 -0.398 0.000 1.161 533 K CA 0.881 56.924 56.287 -0.408 0.000 1.023 533 K CB 1.595 33.782 32.500 -0.522 0.000 0.971 533 K HN 0.328 nan 8.250 nan 0.000 0.577 534 A N -0.212 122.401 122.820 -0.346 0.000 2.334 534 A HA 0.427 4.748 4.320 0.002 0.000 0.184 534 A C 1.226 178.688 177.584 -0.204 0.000 1.594 534 A CA 0.867 52.755 52.037 -0.248 0.000 1.162 534 A CB 0.577 19.272 19.000 -0.508 0.000 1.426 534 A HN 0.195 nan 8.150 nan 0.000 0.494 535 G N -0.582 108.087 108.800 -0.218 0.000 2.225 535 G HA2 -0.264 3.697 3.960 0.002 0.000 0.254 535 G HA3 -0.264 3.697 3.960 0.002 0.000 0.254 535 G C 0.339 175.179 174.900 -0.099 0.000 0.988 535 G CA 0.628 45.638 45.100 -0.150 0.000 0.625 535 G HN 0.842 nan 8.290 nan 0.000 0.527 536 R N 0.081 120.532 120.500 -0.082 0.000 2.575 536 R HA 0.645 4.986 4.340 0.002 0.000 0.293 536 R C -0.308 176.088 176.300 0.160 0.000 0.983 536 R CA -0.989 55.125 56.100 0.024 0.000 0.887 536 R CB 0.790 31.116 30.300 0.043 0.000 1.184 536 R HN 0.148 nan 8.270 nan 0.000 0.445 537 L N 6.351 127.666 121.223 0.153 0.000 2.360 537 L HA 0.295 4.636 4.340 0.002 0.000 0.276 537 L C -1.537 175.451 176.870 0.197 0.000 1.121 537 L CA -1.690 53.276 54.840 0.209 0.000 0.845 537 L CB 0.911 43.048 42.059 0.130 0.000 1.143 537 L HN 0.501 nan 8.230 nan 0.000 0.452 538 P HA -0.017 nan 4.420 nan 0.000 0.268 538 P C 0.259 177.599 177.300 0.067 0.000 1.208 538 P CA -0.178 62.969 63.100 0.079 0.000 0.777 538 P CB 0.860 32.470 31.700 -0.151 0.000 0.875 539 S N 1.447 117.185 115.700 0.063 0.000 2.478 539 S HA 0.043 4.514 4.470 0.002 0.000 0.222 539 S C 0.865 175.502 174.600 0.062 0.000 1.008 539 S CA -0.048 58.190 58.200 0.062 0.000 0.928 539 S CB 0.018 63.251 63.200 0.055 0.000 0.781 539 S HN 0.595 nan 8.310 nan 0.000 0.518 540 R N 1.117 121.646 120.500 0.049 0.000 2.510 540 R HA 0.533 4.874 4.340 0.002 0.000 0.287 540 R C -1.195 175.130 176.300 0.041 0.000 1.084 540 R CA -0.591 55.544 56.100 0.058 0.000 0.934 540 R CB 1.941 32.267 30.300 0.044 0.000 1.201 540 R HN 0.200 nan 8.270 nan 0.000 0.431 541 V N 2.205 122.166 119.914 0.079 0.000 2.850 541 V HA 0.720 4.841 4.120 0.002 0.000 0.315 541 V C -1.040 175.110 176.094 0.094 0.000 1.064 541 V CA -1.020 61.312 62.300 0.053 0.000 0.979 541 V CB 1.650 33.518 31.823 0.075 0.000 1.039 541 V HN 0.653 nan 8.190 nan 0.000 0.452 542 L N 4.318 125.581 121.223 0.066 0.000 2.319 542 L HA 0.627 4.968 4.340 0.002 0.000 0.281 542 L C -0.835 176.110 176.870 0.126 0.000 1.005 542 L CA -0.540 54.349 54.840 0.080 0.000 0.828 542 L CB 0.878 42.962 42.059 0.043 0.000 1.227 542 L HN 0.748 nan 8.230 nan 0.000 0.415 543 L N 6.390 127.727 121.223 0.190 0.000 2.264 543 L HA 0.488 4.829 4.340 0.002 0.000 0.289 543 L C -0.674 176.349 176.870 0.255 0.000 1.044 543 L CA -0.377 54.673 54.840 0.350 0.000 0.807 543 L CB 1.162 43.461 42.059 0.401 0.000 1.192 543 L HN 0.544 nan 8.230 nan 0.000 0.425 544 L N 5.271 126.693 121.223 0.332 0.000 2.325 544 L HA 0.603 4.944 4.340 0.002 0.000 0.281 544 L C -0.178 176.892 176.870 0.334 0.000 1.004 544 L CA -0.582 54.386 54.840 0.214 0.000 0.823 544 L CB 1.555 43.701 42.059 0.145 0.000 1.236 544 L HN 0.669 nan 8.230 nan 0.000 0.415 545 R N 0.534 121.123 120.500 0.147 0.000 2.803 545 R HA 0.429 4.769 4.340 0.002 0.000 0.276 545 R C -0.623 175.746 176.300 0.114 0.000 0.978 545 R CA -0.960 55.252 56.100 0.187 0.000 0.939 545 R CB 1.677 31.929 30.300 -0.080 0.000 1.179 545 R HN 0.332 nan 8.270 nan 0.000 0.472 546 D N 1.038 121.538 120.400 0.166 0.000 2.348 546 D HA 0.043 4.684 4.640 0.002 0.000 0.248 546 D C 1.299 177.624 176.300 0.042 0.000 1.142 546 D CA 1.293 55.348 54.000 0.093 0.000 0.904 546 D CB 0.127 40.985 40.800 0.096 0.000 0.901 546 D HN 0.927 nan 8.370 nan 0.000 0.523 547 G N 0.841 109.650 108.800 0.015 0.000 2.693 547 G HA2 -0.562 3.399 3.960 0.002 0.000 0.240 547 G HA3 -0.562 3.399 3.960 0.002 0.000 0.240 547 G C 1.668 176.567 174.900 -0.001 0.000 1.102 547 G CA 1.665 46.755 45.100 -0.016 0.000 0.694 547 G HN 0.640 nan 8.290 nan 0.000 0.531 548 R N 0.787 121.293 120.500 0.011 0.000 2.132 548 R HA 0.266 4.607 4.340 0.002 0.000 0.233 548 R C 2.731 179.044 176.300 0.021 0.000 1.125 548 R CA 3.304 59.409 56.100 0.008 0.000 0.914 548 R CB -1.871 28.430 30.300 0.003 0.000 0.845 548 R HN 2.107 nan 8.270 nan 0.000 0.431 549 V N -0.962 118.978 119.914 0.042 0.000 2.928 549 V HA 0.196 4.317 4.120 0.002 0.000 0.307 549 V C -1.815 174.331 176.094 0.087 0.000 1.105 549 V CA -1.663 60.683 62.300 0.077 0.000 1.223 549 V CB 0.184 32.094 31.823 0.147 0.000 0.930 549 V HN 0.446 nan 8.190 nan 0.000 0.499 550 P HA -0.100 nan 4.420 nan 0.000 0.285 550 P C 0.658 177.995 177.300 0.063 0.000 1.613 550 P CA 0.840 63.978 63.100 0.064 0.000 1.239 550 P CB 0.173 31.916 31.700 0.071 0.000 1.161 551 Q N -1.602 118.235 119.800 0.062 0.000 2.521 551 Q HA -0.041 4.300 4.340 0.002 0.000 0.215 551 Q C 1.203 177.267 176.000 0.106 0.000 0.750 551 Q CA 0.488 56.308 55.803 0.028 0.000 0.945 551 Q CB -0.414 28.306 28.738 -0.030 0.000 1.320 551 Q HN 0.319 nan 8.270 nan 0.000 0.501 552 D N 0.801 121.248 120.400 0.078 0.000 2.393 552 D HA -0.194 4.447 4.640 0.002 0.000 0.220 552 D C 0.996 177.354 176.300 0.097 0.000 0.974 552 D CA 0.974 55.018 54.000 0.072 0.000 0.931 552 D CB -0.085 40.738 40.800 0.039 0.000 0.889 552 D HN 0.393 nan 8.370 nan 0.000 0.512 553 E N -1.067 119.230 120.200 0.162 0.000 2.409 553 E HA -0.097 4.254 4.350 0.002 0.000 0.198 553 E C 0.455 177.059 176.600 0.006 0.000 1.024 553 E CA 0.461 56.928 56.400 0.111 0.000 0.861 553 E CB -0.075 29.735 29.700 0.185 0.000 0.788 553 E HN 0.443 nan 8.360 nan 0.000 0.521 554 F N -0.565 119.312 119.950 -0.123 0.000 2.678 554 F HA 0.284 4.812 4.527 0.001 0.000 0.305 554 F C 1.829 177.545 175.800 -0.139 0.000 1.090 554 F CA -0.085 57.810 58.000 -0.175 0.000 1.272 554 F CB -0.075 38.796 39.000 -0.215 0.000 1.060 554 F HN -0.061 nan 8.300 nan 0.000 0.576 555 A N 1.060 123.910 122.820 0.049 0.000 1.842 555 A HA -0.210 4.111 4.320 0.002 0.000 0.217 555 A C 2.266 179.794 177.584 -0.094 0.000 1.206 555 A CA 1.780 53.807 52.037 -0.017 0.000 0.630 555 A CB -1.138 17.854 19.000 -0.012 0.000 0.839 555 A HN 0.306 nan 8.150 nan 0.000 0.447 556 L N -0.420 120.734 121.223 -0.114 0.000 2.079 556 L HA -0.195 4.146 4.340 0.002 0.000 0.210 556 L C 2.646 179.329 176.870 -0.310 0.000 1.081 556 L CA 2.662 57.384 54.840 -0.197 0.000 0.752 556 L CB -1.424 40.541 42.059 -0.156 0.000 0.896 556 L HN 0.461 nan 8.230 nan 0.000 0.433 557 A N 0.123 122.831 122.820 -0.187 0.000 1.908 557 A HA -0.211 4.110 4.320 0.002 0.000 0.218 557 A C 2.283 179.726 177.584 -0.234 0.000 1.181 557 A CA 1.822 53.799 52.037 -0.100 0.000 0.627 557 A CB -0.643 18.334 19.000 -0.038 0.000 0.818 557 A HN 0.538 nan 8.150 nan 0.000 0.445 558 L N -0.950 120.123 121.223 -0.249 0.000 2.109 558 L HA -0.120 4.221 4.340 0.002 0.000 0.207 558 L C 2.621 179.259 176.870 -0.387 0.000 1.086 558 L CA 0.920 55.503 54.840 -0.429 0.000 0.760 558 L CB -0.631 41.186 42.059 -0.403 0.000 0.910 558 L HN 0.347 nan 8.230 nan 0.000 0.437 559 E N 0.640 120.658 120.200 -0.304 0.000 2.070 559 E HA -0.245 4.106 4.350 0.002 0.000 0.197 559 E C 2.270 178.671 176.600 -0.331 0.000 1.004 559 E CA 1.624 57.867 56.400 -0.262 0.000 0.805 559 E CB -0.163 29.390 29.700 -0.246 0.000 0.744 559 E HN 0.463 nan 8.360 nan 0.000 0.451 560 A N 1.122 123.611 122.820 -0.552 0.000 1.877 560 A HA -0.125 4.196 4.320 0.002 0.000 0.216 560 A C 2.398 179.763 177.584 -0.365 0.000 1.186 560 A CA 1.101 52.732 52.037 -0.677 0.000 0.620 560 A CB -0.752 17.235 19.000 -1.689 0.000 0.822 560 A HN 0.210 nan 8.150 nan 0.000 0.443 561 L N -0.833 120.212 121.223 -0.297 0.000 2.265 561 L HA -0.199 4.142 4.340 0.002 0.000 0.215 561 L C 2.934 179.778 176.870 -0.044 0.000 1.117 561 L CA 0.737 55.519 54.840 -0.097 0.000 0.782 561 L CB -0.570 41.407 42.059 -0.136 0.000 0.914 561 L HN 0.500 nan 8.230 nan 0.000 0.441 562 A N 0.331 123.091 122.820 -0.100 0.000 1.832 562 A HA -0.147 4.174 4.320 0.002 0.000 0.214 562 A C 2.378 179.955 177.584 -0.012 0.000 1.204 562 A CA 1.004 53.038 52.037 -0.004 0.000 0.606 562 A CB -0.423 18.561 19.000 -0.026 0.000 0.849 562 A HN 0.226 nan 8.150 nan 0.000 0.445 563 R N -0.504 119.958 120.500 -0.063 0.000 2.096 563 R HA -0.149 4.192 4.340 0.002 0.000 0.240 563 R C 2.203 178.496 176.300 -0.012 0.000 1.139 563 R CA 1.812 57.885 56.100 -0.046 0.000 0.952 563 R CB -0.580 29.670 30.300 -0.083 0.000 0.854 563 R HN 0.657 nan 8.270 nan 0.000 0.436 564 E N 0.567 120.762 120.200 -0.008 0.000 2.526 564 E HA 0.055 4.406 4.350 0.002 0.000 0.198 564 E C 0.886 177.519 176.600 0.055 0.000 1.091 564 E CA 0.579 57.004 56.400 0.042 0.000 0.880 564 E CB -0.967 28.782 29.700 0.082 0.000 0.873 564 E HN 0.537 nan 8.360 nan 0.000 0.527 565 G N 0.149 108.977 108.800 0.048 0.000 2.370 565 G HA2 -0.069 3.892 3.960 0.002 0.000 0.293 565 G HA3 -0.069 3.892 3.960 0.002 0.000 0.293 565 G C 0.089 175.036 174.900 0.079 0.000 0.992 565 G CA 0.699 45.835 45.100 0.060 0.000 1.247 565 G HN 1.345 nan 8.290 nan 0.000 0.505 566 I N -0.467 120.167 120.570 0.107 0.000 2.656 566 I HA 0.834 5.005 4.170 0.002 0.000 0.292 566 I C 0.185 176.420 176.117 0.197 0.000 1.144 566 I CA -0.469 60.907 61.300 0.126 0.000 1.038 566 I CB 1.617 39.690 38.000 0.121 0.000 1.244 566 I HN 0.823 nan 8.210 nan 0.000 0.420 567 A N 5.792 128.706 122.820 0.156 0.000 2.386 567 A HA 0.616 4.937 4.320 0.002 0.000 0.246 567 A C -1.002 176.742 177.584 0.266 0.000 1.089 567 A CA 0.690 52.815 52.037 0.147 0.000 0.790 567 A CB 0.023 19.053 19.000 0.051 0.000 1.042 567 A HN 1.506 nan 8.150 nan 0.000 0.497 568 Y N -2.090 118.238 120.300 0.047 0.000 2.638 568 Y HA 0.625 5.176 4.550 0.002 0.000 0.334 568 Y C -1.692 174.239 175.900 0.052 0.000 1.182 568 Y CA -1.472 56.660 58.100 0.053 0.000 1.102 568 Y CB 0.964 39.464 38.460 0.066 0.000 1.343 568 Y HN 0.528 nan 8.280 nan 0.000 0.463 569 D N 2.902 123.400 120.400 0.163 0.000 2.863 569 D HA 0.359 5.000 4.640 0.002 0.000 0.245 569 D C -1.608 174.719 176.300 0.045 0.000 1.211 569 D CA -0.412 53.600 54.000 0.020 0.000 0.888 569 D CB 3.205 43.967 40.800 -0.063 0.000 1.483 569 D HN 0.764 nan 8.370 nan 0.000 0.533 570 L N 2.667 123.889 121.223 -0.002 0.000 2.280 570 L HA 0.479 4.819 4.340 0.002 0.000 0.287 570 L C -1.336 175.437 176.870 -0.161 0.000 1.023 570 L CA -0.524 54.294 54.840 -0.037 0.000 0.819 570 L CB 1.212 43.263 42.059 -0.013 0.000 1.212 570 L HN 0.076 nan 8.230 nan 0.000 0.420 571 V N 3.229 123.065 119.914 -0.130 0.000 2.540 571 V HA 0.487 4.608 4.120 0.002 0.000 0.302 571 V C -0.165 175.874 176.094 -0.093 0.000 1.035 571 V CA -0.597 61.638 62.300 -0.108 0.000 0.873 571 V CB 2.081 33.871 31.823 -0.054 0.000 0.992 571 V HN 0.833 nan 8.190 nan 0.000 0.428 572 S N 3.703 119.346 115.700 -0.096 0.000 2.442 572 S HA 0.758 5.229 4.470 0.002 0.000 0.297 572 S C -0.766 173.784 174.600 -0.083 0.000 1.131 572 S CA -0.656 57.486 58.200 -0.096 0.000 1.092 572 S CB 1.573 64.710 63.200 -0.104 0.000 0.998 572 S HN 0.429 nan 8.310 nan 0.000 0.478 573 V N 4.109 123.993 119.914 -0.051 0.000 2.398 573 V HA 0.504 4.625 4.120 0.002 0.000 0.286 573 V C -0.000 176.071 176.094 -0.038 0.000 1.026 573 V CA -0.673 61.595 62.300 -0.053 0.000 0.868 573 V CB 1.255 33.071 31.823 -0.013 0.000 0.982 573 V HN 0.901 nan 8.190 nan 0.000 0.443 574 R N 3.484 123.949 120.500 -0.059 0.000 2.337 574 R HA 0.483 4.824 4.340 0.002 0.000 0.319 574 R C 1.113 177.393 176.300 -0.032 0.000 0.954 574 R CA -0.160 55.915 56.100 -0.042 0.000 0.840 574 R CB 1.391 31.657 30.300 -0.057 0.000 1.164 574 R HN 0.743 nan 8.270 nan 0.000 0.472 575 K N 1.375 121.770 120.400 -0.009 0.000 2.147 575 K HA -0.066 4.255 4.320 0.002 0.000 0.205 575 K C 1.060 177.661 176.600 0.002 0.000 1.049 575 K CA 1.919 58.208 56.287 0.003 0.000 0.936 575 K CB -0.192 32.320 32.500 0.020 0.000 0.722 575 K HN 0.697 nan 8.250 nan 0.000 0.446 576 S N -3.874 111.825 115.700 -0.002 0.000 2.726 576 S HA 0.596 5.067 4.470 0.002 0.000 0.308 576 S C 1.255 175.847 174.600 -0.013 0.000 1.115 576 S CA 0.197 58.398 58.200 0.002 0.000 0.965 576 S CB 1.591 64.799 63.200 0.013 0.000 1.145 576 S HN 1.574 nan 8.310 nan 0.000 0.532 577 G N -0.448 108.349 108.800 -0.005 0.000 2.176 577 G HA2 -0.133 3.828 3.960 0.002 0.000 0.253 577 G HA3 -0.133 3.828 3.960 0.002 0.000 0.253 577 G C 0.708 175.588 174.900 -0.032 0.000 0.979 577 G CA 0.120 45.207 45.100 -0.022 0.000 0.641 577 G HN 1.637 nan 8.290 nan 0.000 0.530 578 G N 0.058 108.844 108.800 -0.024 0.000 3.518 578 G HA2 0.565 4.526 3.960 0.002 0.000 0.273 578 G HA3 0.565 4.526 3.960 0.002 0.000 0.273 578 G C 1.573 176.468 174.900 -0.007 0.000 1.199 578 G CA 1.331 46.413 45.100 -0.029 0.000 0.899 578 G HN 1.814 nan 8.290 nan 0.000 0.533 579 G N 0.645 109.461 108.800 0.027 0.000 2.652 579 G HA2 -0.282 3.678 3.960 0.002 0.000 0.318 579 G HA3 -0.282 3.678 3.960 0.002 0.000 0.318 579 G C 0.102 174.994 174.900 -0.013 0.000 1.295 579 G CA 0.653 45.786 45.100 0.056 0.000 0.999 579 G HN 0.778 nan 8.290 nan 0.000 0.548 580 R N -2.379 118.073 120.500 -0.080 0.000 2.817 580 R HA 0.750 5.091 4.340 0.002 0.000 0.268 580 R C -1.165 174.878 176.300 -0.428 0.000 1.027 580 R CA -0.350 55.572 56.100 -0.296 0.000 0.928 580 R CB 2.226 32.277 30.300 -0.415 0.000 1.228 580 R HN 0.801 nan 8.270 nan 0.000 0.469 581 V N 2.533 122.078 119.914 -0.614 0.000 2.525 581 V HA 0.510 4.631 4.120 0.002 0.000 0.299 581 V C -1.568 174.178 176.094 -0.580 0.000 1.034 581 V CA -0.724 61.301 62.300 -0.458 0.000 0.863 581 V CB 1.508 33.169 31.823 -0.271 0.000 0.999 581 V HN 0.601 nan 8.190 nan 0.000 0.423 582 Y N 6.079 126.339 120.300 -0.067 0.000 2.391 582 Y HA 0.602 5.153 4.550 0.001 0.000 0.341 582 Y C -2.295 173.508 175.900 -0.161 0.000 0.965 582 Y CA -2.973 55.054 58.100 -0.122 0.000 1.067 582 Y CB 2.204 40.777 38.460 0.188 0.000 1.199 582 Y HN 0.402 nan 8.280 nan 0.000 0.450 583 P HA 0.099 nan 4.420 nan 0.000 0.274 583 P C 0.303 177.524 177.300 -0.131 0.000 1.237 583 P CA -0.198 62.778 63.100 -0.207 0.000 0.793 583 P CB 2.183 33.734 31.700 -0.249 0.000 0.977 584 V N -0.554 119.171 119.914 -0.315 0.000 2.599 584 V HA 0.041 4.162 4.120 0.002 0.000 0.245 584 V C 1.421 177.486 176.094 -0.047 0.000 1.046 584 V CA 2.171 64.255 62.300 -0.359 0.000 1.065 584 V CB -1.203 30.252 31.823 -0.614 0.000 0.703 584 V HN 0.788 nan 8.190 nan 0.000 0.464 585 Q N -0.936 118.836 119.800 -0.048 0.000 2.379 585 Q HA 0.635 4.976 4.340 0.002 0.000 0.278 585 Q C 0.041 176.062 176.000 0.034 0.000 1.068 585 Q CA 0.158 55.975 55.803 0.024 0.000 0.816 585 Q CB 1.627 30.363 28.738 -0.004 0.000 1.387 585 Q HN 1.336 nan 8.270 nan 0.000 0.413 586 G N -1.071 107.781 108.800 0.087 0.000 2.548 586 G HA2 0.508 4.469 3.960 0.002 0.000 0.208 586 G HA3 0.508 4.469 3.960 0.002 0.000 0.208 586 G C 0.094 175.095 174.900 0.169 0.000 1.308 586 G CA 0.469 45.623 45.100 0.091 0.000 0.924 586 G HN 2.066 nan 8.290 nan 0.000 0.540 587 R N -1.096 119.487 120.500 0.137 0.000 2.782 587 R HA 0.896 5.237 4.340 0.002 0.000 0.258 587 R C 0.260 176.571 176.300 0.018 0.000 1.055 587 R CA -0.152 56.075 56.100 0.211 0.000 1.065 587 R CB 0.718 31.149 30.300 0.219 0.000 1.172 587 R HN 1.231 nan 8.270 nan 0.000 0.510 588 L N 2.295 123.490 121.223 -0.046 0.000 2.312 588 L HA 0.496 4.837 4.340 0.002 0.000 0.287 588 L C 0.719 177.585 176.870 -0.006 0.000 1.091 588 L CA -0.392 54.263 54.840 -0.308 0.000 0.846 588 L CB 0.853 42.411 42.059 -0.835 0.000 1.219 588 L HN 1.013 nan 8.230 nan 0.000 0.439 589 A N 4.026 126.824 122.820 -0.037 0.000 2.267 589 A HA 0.202 4.523 4.320 0.002 0.000 0.271 589 A C -0.340 177.266 177.584 0.036 0.000 1.131 589 A CA -0.388 51.669 52.037 0.033 0.000 0.818 589 A CB 0.436 19.436 19.000 0.000 0.000 1.118 589 A HN 0.654 nan 8.150 nan 0.000 0.501 590 D N -1.190 119.244 120.400 0.057 0.000 2.362 590 D HA 0.465 5.106 4.640 0.002 0.000 0.247 590 D C 0.237 176.490 176.300 -0.079 0.000 1.050 590 D CA 0.917 54.948 54.000 0.052 0.000 0.839 590 D CB 1.329 42.217 40.800 0.148 0.000 1.283 590 D HN 1.403 nan 8.370 nan 0.000 0.477 591 G N 2.689 111.296 108.800 -0.322 0.000 2.414 591 G HA2 -0.162 3.799 3.960 0.002 0.000 0.256 591 G HA3 -0.162 3.799 3.960 0.002 0.000 0.256 591 G C -0.675 173.918 174.900 -0.513 0.000 1.128 591 G CA -0.124 44.373 45.100 -1.005 0.000 0.944 591 G HN 0.425 nan 8.290 nan 0.000 0.500 592 L N 0.967 122.020 121.223 -0.284 0.000 2.307 592 L HA 0.842 5.183 4.340 0.002 0.000 0.284 592 L C -0.353 176.540 176.870 0.039 0.000 1.023 592 L CA -1.796 52.985 54.840 -0.098 0.000 0.810 592 L CB 1.241 43.236 42.059 -0.107 0.000 1.231 592 L HN 0.395 nan 8.230 nan 0.000 0.423 593 Y N 5.286 125.592 120.300 0.011 0.000 2.328 593 Y HA 0.669 5.220 4.550 0.001 0.000 0.333 593 Y C -1.415 174.611 175.900 0.211 0.000 0.958 593 Y CA -1.248 56.925 58.100 0.122 0.000 1.167 593 Y CB 1.410 39.926 38.460 0.093 0.000 1.151 593 Y HN 0.273 nan 8.280 nan 0.000 0.470 594 V N 9.382 129.299 119.914 0.005 0.000 2.325 594 V HA 0.376 4.497 4.120 0.002 0.000 0.280 594 V C -2.464 173.589 176.094 -0.068 0.000 1.016 594 V CA -1.970 60.260 62.300 -0.116 0.000 0.818 594 V CB 1.164 32.956 31.823 -0.053 0.000 1.019 594 V HN 0.706 nan 8.190 nan 0.000 0.434 595 P HA 0.282 nan 4.420 nan 0.000 0.271 595 P C -0.035 177.291 177.300 0.043 0.000 1.220 595 P CA 0.262 63.336 63.100 -0.042 0.000 0.768 595 P CB 0.976 32.588 31.700 -0.147 0.000 0.848 596 L N 1.980 123.272 121.223 0.115 0.000 2.719 596 L HA 0.335 4.676 4.340 0.002 0.000 0.182 596 L C 1.623 178.538 176.870 0.075 0.000 1.940 596 L CA -0.773 54.116 54.840 0.082 0.000 2.839 596 L CB -0.387 41.724 42.059 0.087 0.000 2.949 596 L HN 0.368 nan 8.230 nan 0.000 0.669 597 E N 0.267 120.509 120.200 0.070 0.000 2.973 597 E HA -0.073 4.278 4.350 0.002 0.000 0.279 597 E C -0.737 175.902 176.600 0.064 0.000 1.473 597 E CA -0.379 56.056 56.400 0.058 0.000 1.251 597 E CB -0.302 29.427 29.700 0.049 0.000 1.063 597 E HN 0.265 nan 8.360 nan 0.000 0.685 598 D N 0.896 121.325 120.400 0.048 0.000 2.479 598 D HA -0.044 4.597 4.640 0.002 0.000 0.257 598 D C 0.254 176.595 176.300 0.069 0.000 1.230 598 D CA 0.756 54.783 54.000 0.044 0.000 0.912 598 D CB 0.055 40.872 40.800 0.027 0.000 1.130 598 D HN 0.422 nan 8.370 nan 0.000 0.515 599 K N -0.665 119.785 120.400 0.084 0.000 3.495 599 K HA -0.218 4.102 4.320 0.002 0.000 0.315 599 K C 0.598 177.356 176.600 0.264 0.000 1.301 599 K CA 1.370 57.743 56.287 0.142 0.000 0.985 599 K CB -1.615 30.949 32.500 0.105 0.000 1.244 599 K HN 0.622 nan 8.250 nan 0.000 0.433 600 T N -1.047 113.645 114.554 0.229 0.000 2.945 600 T HA 0.740 5.091 4.350 0.002 0.000 0.286 600 T C -0.204 174.721 174.700 0.375 0.000 1.025 600 T CA -0.610 61.630 62.100 0.233 0.000 1.039 600 T CB 1.501 70.422 68.868 0.088 0.000 1.068 600 T HN 0.322 nan 8.240 nan 0.000 0.497 601 F N -0.671 119.330 119.950 0.085 0.000 2.773 601 F HA 0.721 5.250 4.527 0.003 0.000 0.314 601 F C -2.538 173.315 175.800 0.089 0.000 1.160 601 F CA -1.797 56.264 58.000 0.103 0.000 0.920 601 F CB 0.946 40.080 39.000 0.223 0.000 1.323 601 F HN 0.607 nan 8.300 nan 0.000 0.457 602 L N 2.662 124.012 121.223 0.211 0.000 2.346 602 L HA 0.712 5.053 4.340 0.002 0.000 0.276 602 L C -1.365 175.640 176.870 0.224 0.000 1.006 602 L CA -1.092 53.789 54.840 0.069 0.000 0.817 602 L CB 1.818 43.895 42.059 0.030 0.000 1.272 602 L HN 0.694 nan 8.230 nan 0.000 0.421 603 L N 3.691 124.984 121.223 0.117 0.000 2.362 603 L HA 0.608 4.949 4.340 0.002 0.000 0.271 603 L C -1.337 175.557 176.870 0.041 0.000 1.002 603 L CA -0.488 54.453 54.840 0.167 0.000 0.818 603 L CB 1.950 44.134 42.059 0.208 0.000 1.298 603 L HN 0.458 nan 8.230 nan 0.000 0.420 604 L N 3.804 125.019 121.223 -0.014 0.000 2.366 604 L HA 0.407 4.748 4.340 0.002 0.000 0.266 604 L C 1.059 177.894 176.870 -0.059 0.000 1.010 604 L CA 0.288 55.101 54.840 -0.045 0.000 0.879 604 L CB 1.235 43.240 42.059 -0.091 0.000 1.228 604 L HN 0.889 nan 8.230 nan 0.000 0.439 605 T N 0.827 115.409 114.554 0.047 0.000 3.023 605 T HA 0.145 4.496 4.350 0.002 0.000 0.266 605 T C 0.508 175.336 174.700 0.214 0.000 1.093 605 T CA 0.923 63.132 62.100 0.181 0.000 1.129 605 T CB -0.170 68.835 68.868 0.227 0.000 0.899 605 T HN 0.395 nan 8.240 nan 0.000 0.491 606 V N -1.814 118.190 119.914 0.150 0.000 3.147 606 V HA 0.769 4.890 4.120 0.002 0.000 0.306 606 V C -1.506 174.715 176.094 0.212 0.000 1.209 606 V CA -1.276 61.137 62.300 0.188 0.000 1.023 606 V CB 1.895 33.827 31.823 0.182 0.000 1.059 606 V HN 0.448 nan 8.190 nan 0.000 0.435 607 H N 2.196 121.322 119.070 0.093 0.000 3.006 607 H HA 0.701 5.258 4.556 0.001 0.000 0.304 607 H C 0.095 175.486 175.328 0.104 0.000 1.403 607 H CA 0.315 56.413 56.048 0.083 0.000 1.615 607 H CB 1.083 30.876 29.762 0.052 0.000 1.935 607 H HN 1.123 nan 8.280 nan 0.000 0.626 608 R N 1.363 121.903 120.500 0.067 0.000 2.432 608 R HA 0.594 4.935 4.340 0.002 0.000 0.260 608 R C 0.180 176.455 176.300 -0.042 0.000 0.935 608 R CA 0.933 57.028 56.100 -0.010 0.000 1.080 608 R CB -0.636 29.699 30.300 0.060 0.000 1.155 608 R HN 0.838 nan 8.270 nan 0.000 0.531 609 D N -4.157 116.208 120.400 -0.058 0.000 2.648 609 D HA 0.502 5.143 4.640 0.002 0.000 0.244 609 D C -0.168 176.185 176.300 0.087 0.000 1.244 609 D CA 0.009 54.014 54.000 0.008 0.000 0.772 609 D CB 0.411 41.249 40.800 0.062 0.000 1.379 609 D HN 0.652 nan 8.370 nan 0.000 0.428 610 F N -1.045 118.970 119.950 0.107 0.000 2.639 610 F HA 0.653 5.181 4.527 0.002 0.000 0.300 610 F C 2.113 178.007 175.800 0.157 0.000 1.109 610 F CA 1.300 59.415 58.000 0.192 0.000 1.335 610 F CB -0.555 38.525 39.000 0.134 0.000 1.014 610 F HN 0.978 nan 8.300 nan 0.000 0.537 611 R N 0.537 121.120 120.500 0.139 0.000 2.397 611 R HA 0.587 4.928 4.340 0.002 0.000 0.241 611 R C 0.885 177.267 176.300 0.137 0.000 0.914 611 R CA 0.528 56.694 56.100 0.111 0.000 1.071 611 R CB -0.356 29.992 30.300 0.081 0.000 1.116 611 R HN 1.259 nan 8.270 nan 0.000 0.524 612 G N -1.495 107.416 108.800 0.186 0.000 2.694 612 G HA2 0.508 4.469 3.960 0.002 0.000 0.290 612 G HA3 0.508 4.469 3.960 0.002 0.000 0.290 612 G C -1.106 173.946 174.900 0.253 0.000 1.386 612 G CA -0.172 45.043 45.100 0.192 0.000 0.872 612 G HN 0.104 nan 8.290 nan 0.000 0.475 613 T N 2.711 117.399 114.554 0.223 0.000 2.794 613 T HA 0.611 4.962 4.350 0.002 0.000 0.280 613 T C -2.191 172.587 174.700 0.130 0.000 0.987 613 T CA -0.747 61.488 62.100 0.225 0.000 0.993 613 T CB 1.825 70.854 68.868 0.268 0.000 0.939 613 T HN 0.477 nan 8.240 nan 0.000 0.449 614 P HA 0.279 nan 4.420 nan 0.000 0.271 614 P C -0.769 176.525 177.300 -0.010 0.000 1.218 614 P CA -0.554 62.560 63.100 0.023 0.000 0.780 614 P CB 0.890 32.568 31.700 -0.037 0.000 0.901 615 R N 2.821 123.329 120.500 0.013 0.000 2.332 615 R HA 0.320 4.661 4.340 0.002 0.000 0.306 615 R C -1.915 174.379 176.300 -0.011 0.000 1.117 615 R CA -1.721 54.380 56.100 0.002 0.000 1.108 615 R CB 0.603 30.920 30.300 0.029 0.000 1.126 615 R HN 0.453 nan 8.270 nan 0.000 0.548 616 P HA -0.043 nan 4.420 nan 0.000 0.267 616 P C -0.406 176.875 177.300 -0.031 0.000 1.200 616 P CA 0.178 63.255 63.100 -0.038 0.000 0.772 616 P CB 0.938 32.600 31.700 -0.064 0.000 0.855 617 L N 1.780 122.985 121.223 -0.030 0.000 2.399 617 L HA 0.420 4.761 4.340 0.002 0.000 0.266 617 L C 1.012 177.816 176.870 -0.110 0.000 1.114 617 L CA -0.582 54.226 54.840 -0.053 0.000 0.804 617 L CB 0.404 42.437 42.059 -0.043 0.000 1.146 617 L HN 0.354 nan 8.230 nan 0.000 0.451 618 K N 2.010 122.328 120.400 -0.136 0.000 2.206 618 K HA 0.687 5.008 4.320 0.002 0.000 0.264 618 K C -1.551 174.870 176.600 -0.298 0.000 0.967 618 K CA -0.598 55.572 56.287 -0.195 0.000 0.844 618 K CB 1.204 33.627 32.500 -0.127 0.000 1.099 618 K HN 0.329 nan 8.250 nan 0.000 0.441 619 L N 3.331 124.227 121.223 -0.544 0.000 2.401 619 L HA 0.504 4.845 4.340 0.002 0.000 0.266 619 L C -1.179 175.469 176.870 -0.370 0.000 0.991 619 L CA -0.866 53.612 54.840 -0.603 0.000 0.818 619 L CB 2.205 43.619 42.059 -1.074 0.000 1.321 619 L HN 0.282 nan 8.230 nan 0.000 0.413 620 V N 0.758 120.603 119.914 -0.115 0.000 2.483 620 V HA 0.258 4.379 4.120 0.002 0.000 0.297 620 V C -0.664 175.505 176.094 0.124 0.000 1.027 620 V CA -0.658 61.672 62.300 0.051 0.000 0.855 620 V CB 1.514 33.342 31.823 0.007 0.000 0.995 620 V HN 0.732 nan 8.190 nan 0.000 0.424 621 H N 3.527 122.689 119.070 0.153 0.000 3.067 621 H HA 0.231 4.788 4.556 0.002 0.000 0.265 621 H C 0.841 176.205 175.328 0.061 0.000 1.234 621 H CA -0.005 56.115 56.048 0.121 0.000 1.452 621 H CB 0.515 30.356 29.762 0.132 0.000 1.527 621 H HN 0.735 nan 8.280 nan 0.000 0.486 622 E N 3.454 123.734 120.200 0.133 0.000 2.463 622 E HA 0.319 4.670 4.350 0.002 0.000 0.193 622 E C -0.463 176.225 176.600 0.148 0.000 1.041 622 E CA 0.092 56.560 56.400 0.113 0.000 0.879 622 E CB 0.858 30.566 29.700 0.012 0.000 0.997 622 E HN 0.554 nan 8.360 nan 0.000 0.478 623 A N 0.503 123.463 122.820 0.233 0.000 2.580 623 A HA 0.608 4.929 4.320 0.002 0.000 0.301 623 A C -0.342 177.378 177.584 0.228 0.000 1.054 623 A CA -0.198 51.970 52.037 0.218 0.000 0.751 623 A CB 0.729 19.879 19.000 0.249 0.000 1.275 623 A HN 0.240 nan 8.150 nan 0.000 0.403 624 G N 1.312 110.187 108.800 0.126 0.000 2.484 624 G HA2 0.465 4.425 3.960 0.002 0.000 0.685 624 G HA3 0.465 4.425 3.960 0.002 0.000 0.685 624 G C -0.666 174.283 174.900 0.082 0.000 1.294 624 G CA 0.473 45.603 45.100 0.050 0.000 0.879 624 G HN 2.024 nan 8.290 nan 0.000 0.646 625 D N -0.905 119.467 120.400 -0.047 0.000 2.615 625 D HA 0.374 5.015 4.640 0.002 0.000 0.236 625 D C 0.723 176.983 176.300 -0.067 0.000 1.233 625 D CA 0.003 53.950 54.000 -0.089 0.000 0.829 625 D CB 0.540 41.285 40.800 -0.092 0.000 1.024 625 D HN 0.433 nan 8.370 nan 0.000 0.490 626 T N 2.636 117.199 114.554 0.015 0.000 2.806 626 T HA 0.355 4.706 4.350 0.002 0.000 0.290 626 T C -2.375 172.311 174.700 -0.023 0.000 0.966 626 T CA -1.365 60.748 62.100 0.022 0.000 1.060 626 T CB 1.467 70.385 68.868 0.083 0.000 0.927 626 T HN 0.105 nan 8.240 nan 0.000 0.485 627 P HA 0.086 nan 4.420 nan 0.000 0.264 627 P C 1.111 178.335 177.300 -0.126 0.000 1.193 627 P CA -0.151 62.881 63.100 -0.114 0.000 0.763 627 P CB 0.727 32.357 31.700 -0.118 0.000 0.810 628 L N 2.113 123.242 121.223 -0.156 0.000 2.089 628 L HA -0.242 4.099 4.340 0.002 0.000 0.213 628 L C 2.399 178.952 176.870 -0.530 0.000 1.079 628 L CA 1.872 56.546 54.840 -0.277 0.000 0.758 628 L CB -0.612 41.295 42.059 -0.252 0.000 0.891 628 L HN 0.501 nan 8.230 nan 0.000 0.433 629 E N -0.220 119.722 120.200 -0.431 0.000 2.077 629 E HA -0.206 4.145 4.350 0.002 0.000 0.193 629 E C 2.290 178.684 176.600 -0.344 0.000 0.989 629 E CA 1.110 57.182 56.400 -0.547 0.000 0.800 629 E CB -0.094 29.424 29.700 -0.305 0.000 0.746 629 E HN 0.518 nan 8.360 nan 0.000 0.452 630 A N 1.199 123.886 122.820 -0.222 0.000 1.940 630 A HA -0.179 4.142 4.320 0.002 0.000 0.219 630 A C 2.146 179.707 177.584 -0.037 0.000 1.176 630 A CA 1.083 53.045 52.037 -0.125 0.000 0.631 630 A CB -0.554 18.388 19.000 -0.096 0.000 0.814 630 A HN 0.111 nan 8.150 nan 0.000 0.446 631 L N -1.055 120.122 121.223 -0.077 0.000 1.961 631 L HA -0.152 4.189 4.340 0.002 0.000 0.209 631 L C 3.168 180.038 176.870 -0.000 0.000 1.075 631 L CA 1.082 55.921 54.840 -0.002 0.000 0.749 631 L CB -0.927 41.154 42.059 0.037 0.000 0.890 631 L HN 0.420 nan 8.230 nan 0.000 0.433 632 A N -0.506 122.194 122.820 -0.200 0.000 1.896 632 A HA -0.363 3.958 4.320 0.002 0.000 0.220 632 A C 2.294 179.896 177.584 0.031 0.000 1.206 632 A CA 2.411 54.364 52.037 -0.141 0.000 0.647 632 A CB -1.403 17.085 19.000 -0.855 0.000 0.828 632 A HN 0.628 nan 8.150 nan 0.000 0.455 633 H N -0.636 118.351 119.070 -0.139 0.000 2.387 633 H HA -0.184 4.373 4.556 0.002 0.000 0.299 633 H C 2.164 177.482 175.328 -0.017 0.000 1.099 633 H CA 2.228 58.240 56.048 -0.060 0.000 1.315 633 H CB -0.101 29.542 29.762 -0.199 0.000 1.380 633 H HN 0.734 nan 8.280 nan 0.000 0.513 634 Q N -0.166 119.682 119.800 0.079 0.000 2.096 634 Q HA -0.053 4.288 4.340 0.002 0.000 0.197 634 Q C 2.441 178.476 176.000 0.057 0.000 0.964 634 Q CA 0.844 56.720 55.803 0.122 0.000 0.838 634 Q CB 0.270 29.124 28.738 0.193 0.000 0.906 634 Q HN 0.385 nan 8.270 nan 0.000 0.444 635 I N 0.671 121.303 120.570 0.104 0.000 2.226 635 I HA -0.225 3.946 4.170 0.002 0.000 0.245 635 I C 2.233 178.440 176.117 0.150 0.000 1.100 635 I CA 1.132 62.502 61.300 0.117 0.000 1.374 635 I CB -1.424 36.676 38.000 0.167 0.000 1.057 635 I HN 0.285 nan 8.210 nan 0.000 0.413 636 F N 1.751 121.733 119.950 0.052 0.000 2.365 636 F HA -0.161 4.366 4.527 0.001 0.000 0.300 636 F C 2.338 178.163 175.800 0.041 0.000 1.090 636 F CA 1.537 59.569 58.000 0.053 0.000 1.408 636 F CB -0.539 38.511 39.000 0.082 0.000 1.060 636 F HN 0.110 nan 8.300 nan 0.000 0.534 637 H N -0.412 118.412 119.070 -0.411 0.000 2.497 637 H HA 0.233 4.790 4.556 0.001 0.000 0.282 637 H C 1.951 177.040 175.328 -0.398 0.000 1.003 637 H CA 0.905 56.638 56.048 -0.524 0.000 1.307 637 H CB -0.210 29.385 29.762 -0.278 0.000 1.437 637 H HN 0.243 nan 8.280 nan 0.000 0.544 638 L N 0.103 121.231 121.223 -0.160 0.000 2.675 638 L HA -0.041 4.300 4.340 0.002 0.000 0.238 638 L C 1.295 178.098 176.870 -0.113 0.000 1.155 638 L CA 0.563 55.318 54.840 -0.142 0.000 0.881 638 L CB 0.011 42.021 42.059 -0.081 0.000 1.008 638 L HN 0.228 nan 8.230 nan 0.000 0.443 639 T N -1.274 113.168 114.554 -0.187 0.000 3.054 639 T HA -0.023 4.328 4.350 0.002 0.000 0.259 639 T C 1.619 176.211 174.700 -0.180 0.000 1.092 639 T CA 0.595 62.605 62.100 -0.150 0.000 1.121 639 T CB 0.041 68.822 68.868 -0.145 0.000 0.912 639 T HN 0.159 nan 8.240 nan 0.000 0.489 640 R N 0.666 120.954 120.500 -0.353 0.000 2.359 640 R HA 0.375 4.716 4.340 0.002 0.000 0.231 640 R C 1.182 177.489 176.300 0.012 0.000 0.913 640 R CA 0.127 56.042 56.100 -0.308 0.000 1.075 640 R CB -0.330 29.537 30.300 -0.722 0.000 1.087 640 R HN 0.318 nan 8.270 nan 0.000 0.515 641 L N -0.339 120.886 121.223 0.003 0.000 2.611 641 L HA 0.210 4.550 4.340 0.002 0.000 0.229 641 L C -0.157 176.799 176.870 0.143 0.000 1.137 641 L CA -0.283 54.580 54.840 0.039 0.000 0.901 641 L CB -0.040 42.009 42.059 -0.018 0.000 1.098 641 L HN 0.130 nan 8.230 nan 0.000 0.456 642 Y N 3.456 123.789 120.300 0.055 0.000 2.486 642 Y HA 0.190 4.741 4.550 0.002 0.000 0.348 642 Y C -1.277 174.653 175.900 0.050 0.000 1.000 642 Y CA -2.786 55.355 58.100 0.067 0.000 1.253 642 Y CB 0.819 39.309 38.460 0.049 0.000 1.140 642 Y HN -0.046 nan 8.280 nan 0.000 0.526 643 P HA -0.020 nan 4.420 nan 0.000 0.231 643 P C 0.693 177.771 177.300 -0.369 0.000 1.168 643 P CA 1.187 64.123 63.100 -0.274 0.000 0.779 643 P CB 0.334 31.916 31.700 -0.196 0.000 0.844 644 A N 0.677 123.068 122.820 -0.715 0.000 2.119 644 A HA -0.020 4.301 4.320 0.002 0.000 0.216 644 A C 2.295 179.802 177.584 -0.128 0.000 1.152 644 A CA 1.442 53.221 52.037 -0.429 0.000 0.708 644 A CB -0.811 17.893 19.000 -0.494 0.000 0.805 644 A HN 0.408 nan 8.150 nan 0.000 0.460 645 S N -1.754 113.927 115.700 -0.032 0.000 2.289 645 S HA 0.406 4.876 4.470 0.002 0.000 0.193 645 S C 1.707 176.262 174.600 -0.076 0.000 1.002 645 S CA 1.308 59.557 58.200 0.081 0.000 0.951 645 S CB -0.833 62.468 63.200 0.168 0.000 0.920 645 S HN 1.786 nan 8.310 nan 0.000 0.502 646 G N 0.183 108.866 108.800 -0.195 0.000 2.175 646 G HA2 -0.186 3.775 3.960 0.002 0.000 0.244 646 G HA3 -0.186 3.775 3.960 0.002 0.000 0.244 646 G C 0.307 174.766 174.900 -0.736 0.000 0.982 646 G CA 0.419 45.246 45.100 -0.454 0.000 0.641 646 G HN 0.595 nan 8.290 nan 0.000 0.527 647 F N 0.618 120.471 119.950 -0.163 0.000 2.856 647 F HA 0.698 5.225 4.527 0.001 0.000 0.338 647 F C 0.770 176.424 175.800 -0.243 0.000 1.100 647 F CA 0.148 58.050 58.000 -0.164 0.000 1.150 647 F CB 1.326 40.275 39.000 -0.086 0.000 1.101 647 F HN 0.848 nan 8.300 nan 0.000 0.548 648 A N 0.212 122.906 122.820 -0.211 0.000 2.549 648 A HA 0.515 4.836 4.320 0.002 0.000 0.306 648 A C -1.060 176.364 177.584 -0.267 0.000 1.053 648 A CA -0.683 51.198 52.037 -0.260 0.000 0.892 648 A CB -0.441 18.529 19.000 -0.049 0.000 1.329 648 A HN 0.029 nan 8.150 nan 0.000 0.388 649 F N 3.050 123.016 119.950 0.027 0.000 2.450 649 F HA 0.502 5.029 4.527 0.001 0.000 0.339 649 F C -1.221 174.547 175.800 -0.054 0.000 1.146 649 F CA -1.106 56.889 58.000 -0.008 0.000 1.267 649 F CB 0.353 39.338 39.000 -0.025 0.000 1.178 649 F HN 0.389 nan 8.300 nan 0.000 0.585 650 P HA 0.224 nan 4.420 nan 0.000 0.279 650 P C 0.218 177.480 177.300 -0.064 0.000 1.252 650 P CA -0.581 62.401 63.100 -0.197 0.000 0.811 650 P CB 1.341 32.511 31.700 -0.883 0.000 1.035 651 R N 0.774 121.264 120.500 -0.017 0.000 2.080 651 R HA -0.039 4.302 4.340 0.002 0.000 0.236 651 R C 1.038 177.361 176.300 0.038 0.000 1.137 651 R CA 1.017 57.144 56.100 0.044 0.000 0.943 651 R CB -0.516 29.819 30.300 0.058 0.000 0.846 651 R HN 0.427 nan 8.270 nan 0.000 0.431 652 L N 1.683 122.920 121.223 0.023 0.000 2.476 652 L HA 0.185 4.526 4.340 0.002 0.000 0.255 652 L C -1.879 175.003 176.870 0.021 0.000 1.218 652 L CA -2.017 52.852 54.840 0.047 0.000 0.819 652 L CB 0.226 42.348 42.059 0.104 0.000 1.119 652 L HN 0.190 nan 8.230 nan 0.000 0.485 653 P HA 0.083 nan 4.420 nan 0.000 0.282 653 P C -0.236 177.099 177.300 0.059 0.000 1.249 653 P CA -0.366 62.755 63.100 0.035 0.000 0.806 653 P CB 1.382 33.110 31.700 0.046 0.000 0.984 654 A N 4.841 127.697 122.820 0.059 0.000 1.958 654 A HA -0.153 4.168 4.320 0.002 0.000 0.221 654 A C -0.548 177.144 177.584 0.180 0.000 1.178 654 A CA 2.042 54.168 52.037 0.149 0.000 0.642 654 A CB -2.446 16.665 19.000 0.186 0.000 0.816 654 A HN 0.457 nan 8.150 nan 0.000 0.453 655 P HA -0.106 nan 4.420 nan 0.000 0.217 655 P C 1.405 178.764 177.300 0.099 0.000 1.150 655 P CA 0.823 63.980 63.100 0.096 0.000 0.832 655 P CB -0.063 31.663 31.700 0.045 0.000 0.787 656 L N -2.521 118.766 121.223 0.108 0.000 2.162 656 L HA -0.091 4.250 4.340 0.002 0.000 0.205 656 L C 2.566 179.498 176.870 0.102 0.000 1.086 656 L CA 1.056 55.961 54.840 0.107 0.000 0.778 656 L CB -0.878 41.245 42.059 0.107 0.000 0.928 656 L HN 0.044 nan 8.230 nan 0.000 0.446 657 H N 0.523 119.597 119.070 0.008 0.000 2.321 657 H HA -0.144 4.413 4.556 0.002 0.000 0.300 657 H C 2.172 177.503 175.328 0.004 0.000 1.087 657 H CA 1.754 57.767 56.048 -0.059 0.000 1.319 657 H CB 0.053 29.695 29.762 -0.200 0.000 1.379 657 H HN 0.107 nan 8.280 nan 0.000 0.501 658 L N -0.419 120.919 121.223 0.192 0.000 2.141 658 L HA -0.070 4.271 4.340 0.002 0.000 0.209 658 L C 2.770 179.658 176.870 0.031 0.000 1.094 658 L CA 0.837 55.859 54.840 0.304 0.000 0.763 658 L CB -0.491 41.849 42.059 0.469 0.000 0.908 658 L HN 0.404 nan 8.230 nan 0.000 0.437 659 A N 0.215 123.036 122.820 0.002 0.000 1.865 659 A HA -0.264 4.057 4.320 0.002 0.000 0.217 659 A C 1.908 179.429 177.584 -0.105 0.000 1.191 659 A CA 2.278 54.279 52.037 -0.060 0.000 0.623 659 A CB -0.671 18.350 19.000 0.035 0.000 0.826 659 A HN 0.352 nan 8.150 nan 0.000 0.444 660 D N -0.750 119.606 120.400 -0.073 0.000 2.097 660 D HA -0.108 4.533 4.640 0.002 0.000 0.195 660 D C 2.240 178.472 176.300 -0.112 0.000 0.989 660 D CA 1.193 55.144 54.000 -0.081 0.000 0.827 660 D CB -0.268 40.486 40.800 -0.078 0.000 0.966 660 D HN 0.376 nan 8.370 nan 0.000 0.456 661 R N -0.102 120.323 120.500 -0.125 0.000 2.105 661 R HA -0.105 4.236 4.340 0.002 0.000 0.239 661 R C 2.159 178.385 176.300 -0.124 0.000 1.135 661 R CA 0.576 56.652 56.100 -0.040 0.000 0.967 661 R CB -0.488 29.883 30.300 0.118 0.000 0.861 661 R HN 0.216 nan 8.270 nan 0.000 0.442 662 L N 0.773 121.699 121.223 -0.494 0.000 2.093 662 L HA -0.102 4.239 4.340 0.002 0.000 0.208 662 L C 1.992 178.663 176.870 -0.331 0.000 1.085 662 L CA 1.512 55.826 54.840 -0.877 0.000 0.755 662 L CB -0.249 41.040 42.059 -1.283 0.000 0.904 662 L HN -0.137 nan 8.230 nan 0.000 0.435 663 V N 0.342 120.143 119.914 -0.188 0.000 2.323 663 V HA -0.207 3.914 4.120 0.002 0.000 0.244 663 V C 3.069 179.145 176.094 -0.030 0.000 1.041 663 V CA 2.242 64.501 62.300 -0.069 0.000 1.025 663 V CB -1.268 30.538 31.823 -0.028 0.000 0.656 663 V HN 0.578 nan 8.190 nan 0.000 0.451 664 K N -0.231 120.154 120.400 -0.026 0.000 2.063 664 K HA -0.250 4.071 4.320 0.002 0.000 0.208 664 K C 1.982 178.607 176.600 0.042 0.000 1.048 664 K CA 1.851 58.148 56.287 0.016 0.000 0.928 664 K CB -0.688 31.824 32.500 0.019 0.000 0.713 664 K HN 0.506 nan 8.250 nan 0.000 0.442 665 E N 0.316 120.528 120.200 0.020 0.000 2.150 665 E HA -0.057 4.294 4.350 0.002 0.000 0.193 665 E C 2.077 178.716 176.600 0.065 0.000 0.985 665 E CA 1.089 57.518 56.400 0.048 0.000 0.814 665 E CB -0.287 29.432 29.700 0.032 0.000 0.752 665 E HN 0.335 nan 8.360 nan 0.000 0.466 666 V N 0.396 120.335 119.914 0.042 0.000 2.515 666 V HA -0.151 3.970 4.120 0.002 0.000 0.250 666 V C 2.201 178.328 176.094 0.054 0.000 1.058 666 V CA 1.864 64.201 62.300 0.063 0.000 1.064 666 V CB -0.568 31.283 31.823 0.047 0.000 0.675 666 V HN 0.305 nan 8.190 nan 0.000 0.461 667 G N -0.557 108.276 108.800 0.054 0.000 2.411 667 G HA2 -0.148 3.813 3.960 0.002 0.000 0.213 667 G HA3 -0.148 3.813 3.960 0.002 0.000 0.213 667 G C 1.715 176.670 174.900 0.092 0.000 1.166 667 G CA 0.279 45.417 45.100 0.064 0.000 0.802 667 G HN 0.365 nan 8.290 nan 0.000 0.533 668 R N -0.395 120.175 120.500 0.117 0.000 2.091 668 R HA 0.116 4.457 4.340 0.002 0.000 0.238 668 R C 1.261 177.570 176.300 0.015 0.000 1.136 668 R CA 0.564 56.753 56.100 0.148 0.000 0.959 668 R CB -0.342 30.067 30.300 0.182 0.000 0.856 668 R HN 0.277 nan 8.270 nan 0.000 0.437 669 L N -2.015 119.217 121.223 0.015 0.000 2.657 669 L HA 0.368 4.709 4.340 0.002 0.000 0.240 669 L C 0.909 177.779 176.870 -0.001 0.000 1.151 669 L CA -0.471 54.358 54.840 -0.018 0.000 0.831 669 L CB 0.578 42.647 42.059 0.018 0.000 1.539 669 L HN 0.159 nan 8.230 nan 0.000 0.511 670 G N 1.245 110.038 108.800 -0.013 0.000 4.928 670 G HA2 0.372 4.332 3.960 0.002 0.000 0.321 670 G HA3 0.372 4.332 3.960 0.002 0.000 0.321 670 G C -0.161 174.727 174.900 -0.019 0.000 1.455 670 G CA -0.269 44.824 45.100 -0.011 0.000 1.081 670 G HN 0.156 nan 8.290 nan 0.000 0.569 671 I N 1.016 121.584 120.570 -0.003 0.000 2.471 671 I HA 0.394 4.565 4.170 0.002 0.000 0.286 671 I C 1.100 177.202 176.117 -0.026 0.000 1.079 671 I CA -0.049 61.243 61.300 -0.013 0.000 1.398 671 I CB 0.422 38.428 38.000 0.010 0.000 1.403 671 I HN 0.411 nan 8.210 nan 0.000 0.530 672 R N 4.949 125.405 120.500 -0.074 0.000 2.502 672 R HA 0.175 4.515 4.340 0.002 0.000 0.174 672 R C 0.787 177.032 176.300 -0.092 0.000 1.201 672 R CA 0.285 56.284 56.100 -0.168 0.000 1.151 672 R CB -0.405 29.681 30.300 -0.356 0.000 1.202 672 R HN 0.699 nan 8.270 nan 0.000 0.509 673 H N 0.837 119.908 119.070 0.001 0.000 2.507 673 H HA 0.506 5.064 4.556 0.003 0.000 0.281 673 H C 0.108 175.429 175.328 -0.013 0.000 1.160 673 H CA -0.121 55.927 56.048 -0.001 0.000 0.981 673 H CB -0.433 29.324 29.762 -0.008 0.000 1.665 673 H HN 0.436 nan 8.280 nan 0.000 0.554 674 L N 1.111 122.374 121.223 0.067 0.000 2.536 674 L HA 0.282 4.623 4.340 0.002 0.000 0.282 674 L C 0.846 177.757 176.870 0.069 0.000 1.174 674 L CA 0.328 55.147 54.840 -0.035 0.000 0.989 674 L CB -0.334 41.593 42.059 -0.219 0.000 1.311 674 L HN 0.214 nan 8.230 nan 0.000 0.455 675 K N 1.286 121.733 120.400 0.077 0.000 2.609 675 K HA 0.131 4.452 4.320 0.002 0.000 0.195 675 K C 1.025 177.653 176.600 0.047 0.000 1.144 675 K CA 0.303 56.648 56.287 0.096 0.000 1.084 675 K CB 0.938 33.467 32.500 0.049 0.000 0.877 675 K HN 0.881 nan 8.250 nan 0.000 0.540 676 E N 0.865 121.082 120.200 0.029 0.000 2.385 676 E HA 0.030 4.381 4.350 0.002 0.000 0.194 676 E C -0.052 176.564 176.600 0.027 0.000 1.013 676 E CA 0.245 56.651 56.400 0.010 0.000 0.866 676 E CB 0.644 30.338 29.700 -0.010 0.000 0.832 676 E HN -0.120 nan 8.360 nan 0.000 0.500 677 V N 1.887 121.839 119.914 0.064 0.000 2.644 677 V HA 0.069 4.190 4.120 0.002 0.000 0.295 677 V C 0.278 176.488 176.094 0.193 0.000 1.053 677 V CA -0.802 61.571 62.300 0.122 0.000 0.987 677 V CB 1.451 33.343 31.823 0.116 0.000 1.006 677 V HN 0.111 nan 8.190 nan 0.000 0.472 678 D N 3.008 123.504 120.400 0.160 0.000 2.383 678 D HA 0.061 4.702 4.640 0.002 0.000 0.252 678 D C 0.989 177.372 176.300 0.138 0.000 1.166 678 D CA -0.311 53.747 54.000 0.098 0.000 0.879 678 D CB 0.791 41.629 40.800 0.063 0.000 1.164 678 D HN 0.444 nan 8.370 nan 0.000 0.462 679 R N 2.537 122.951 120.500 -0.143 0.000 2.395 679 R HA -0.100 4.241 4.340 0.002 0.000 0.203 679 R C 0.861 176.989 176.300 -0.287 0.000 1.076 679 R CA 0.586 56.321 56.100 -0.608 0.000 1.059 679 R CB 0.193 30.026 30.300 -0.778 0.000 0.860 679 R HN 0.580 nan 8.270 nan 0.000 0.476 680 E N 0.124 120.349 120.200 0.040 0.000 2.538 680 E HA 0.065 4.416 4.350 0.002 0.000 0.207 680 E C -0.491 176.254 176.600 0.242 0.000 1.002 680 E CA -0.015 56.451 56.400 0.110 0.000 0.952 680 E CB 0.595 30.294 29.700 -0.003 0.000 1.031 680 E HN 0.079 nan 8.360 nan 0.000 0.476 681 K N 1.619 122.264 120.400 0.409 0.000 2.268 681 K HA 0.258 4.579 4.320 0.002 0.000 0.276 681 K C -0.149 176.723 176.600 0.452 0.000 1.080 681 K CA -0.244 56.254 56.287 0.351 0.000 0.910 681 K CB 0.994 33.671 32.500 0.296 0.000 1.163 681 K HN 0.041 nan 8.250 nan 0.000 0.465 682 L N 5.468 126.773 121.223 0.137 0.000 2.544 682 L HA 0.036 4.377 4.340 0.002 0.000 0.240 682 L C 1.122 177.621 176.870 -0.617 0.000 1.421 682 L CA -0.290 54.357 54.840 -0.322 0.000 1.206 682 L CB -1.169 40.629 42.059 -0.436 0.000 1.463 682 L HN 0.661 nan 8.230 nan 0.000 0.437 683 F N -0.131 119.610 119.950 -0.349 0.000 2.449 683 F HA -0.194 4.333 4.527 0.001 0.000 0.299 683 F C 1.636 177.287 175.800 -0.248 0.000 1.092 683 F CA 0.538 58.390 58.000 -0.247 0.000 1.446 683 F CB -1.049 37.854 39.000 -0.162 0.000 1.084 683 F HN 0.279 nan 8.300 nan 0.000 0.567 684 F N 0.453 119.724 119.950 -1.131 0.000 2.746 684 F HA 0.398 4.926 4.527 0.001 0.000 0.297 684 F C 0.918 176.530 175.800 -0.314 0.000 1.113 684 F CA -0.897 56.635 58.000 -0.781 0.000 1.367 684 F CB -1.540 36.856 39.000 -1.005 0.000 1.111 684 F HN -0.033 nan 8.300 nan 0.000 0.590 685 V N 0.000 119.500 119.914 -0.689 0.000 2.409 685 V HA 0.000 4.121 4.120 0.002 0.000 0.244 685 V CA 0.000 62.143 62.300 -0.262 0.000 1.235 685 V CB 0.000 31.605 31.823 -0.363 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556