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 1ozf_1_B DATA FIRST_RESID 5 DATA SEQUENCE YPVRQWAHGA DLVVSQLEAQ GVRQVFGIPG AKIDKVFDSL LDSSIRIIPV DATA SEQUENCE RHEANAAFMA AAVGRITGKA GVALVTSGPG CSNLITGMAT ANSEGDPVVA DATA SEQUENCE LGGAVKRADK AKQXXXSMDT VAMFSPVTKY AIEVTAPDAL AEVVSNAFRA DATA SEQUENCE AEQGRPGSAF VSLPQDVVDG PVSGKVLPAX XXPQMGAAPD DAIDQVAKLI DATA SEQUENCE AQAKNPIFLL GLMASQPENS KALRRLLETS HIPVTSTYQA AGAVNQDNFS DATA SEQUENCE RFAGRVGLFN NQAGDRLLQL ADLVICIGYS PVEYEPAMWN SGNATLVHID DATA SEQUENCE VLPAYEERNY TPDVELVGDI AGTLNKLAQN IDHRLVLSPQ AAEILRDRQH DATA SEQUENCE QRELLDRXXA QLNQFALHPL RIVRAMQDIV NSDVTLTVDM GSFHIWIARY DATA SEQUENCE LYTFRARQVM ISNGQQTMGV ALPWAIGAWL VNPERKVVSV SGDGGFLQSS DATA SEQUENCE MELETAVRLK ANVLHLIWVD NGYNMVAIQE EKKYQRLSGV EFGPMDFKAY DATA SEQUENCE AESFGAKGFA VESAEALEPT LRAAMDVDGP AVVAIPVDYR DNPLLMGQLH 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 5 Y C 0.000 175.925 175.900 0.042 0.000 1.272 5 Y CA 0.000 58.125 58.100 0.041 0.000 1.940 5 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 6 P HA 0.362 nan 4.420 nan 0.000 0.283 6 P C -0.407 176.950 177.300 0.095 0.000 1.271 6 P CA -0.454 62.706 63.100 0.101 0.000 0.841 6 P CB 2.294 34.023 31.700 0.047 0.000 1.122 7 V N 2.640 122.594 119.914 0.067 0.000 2.470 7 V HA 0.160 4.280 4.120 0.000 0.000 0.276 7 V C 1.098 177.195 176.094 0.006 0.000 1.040 7 V CA 0.189 62.533 62.300 0.073 0.000 1.008 7 V CB -0.512 31.345 31.823 0.057 0.000 0.990 7 V HN 0.526 nan 8.190 nan 0.000 0.477 8 R N 3.462 123.949 120.500 -0.021 0.000 2.923 8 R HA 0.587 4.927 4.340 0.000 0.000 0.252 8 R C -0.961 175.171 176.300 -0.279 0.000 1.130 8 R CA -1.050 54.880 56.100 -0.284 0.000 1.043 8 R CB 1.335 31.197 30.300 -0.730 0.000 1.205 8 R HN 0.503 nan 8.270 nan 0.000 0.495 9 Q N 0.977 120.564 119.800 -0.355 0.000 2.340 9 Q HA 0.197 4.538 4.340 0.000 0.000 0.259 9 Q C -1.263 174.555 176.000 -0.302 0.000 0.964 9 Q CA -0.054 55.638 55.803 -0.184 0.000 0.900 9 Q CB 1.301 29.966 28.738 -0.122 0.000 1.228 9 Q HN 0.384 nan 8.270 nan 0.000 0.449 10 W N 0.445 121.724 121.300 -0.035 0.000 2.469 10 W HA 0.475 5.135 4.660 0.000 0.000 0.320 10 W C 1.099 177.569 176.519 -0.082 0.000 1.086 10 W CA -0.622 56.701 57.345 -0.037 0.000 1.211 10 W CB 1.017 30.465 29.460 -0.019 0.000 1.298 10 W HN 0.720 nan 8.180 nan 0.000 0.525 11 A N 1.848 124.718 122.820 0.083 0.000 1.969 11 A HA -0.065 4.255 4.320 0.000 0.000 0.218 11 A C -0.026 177.275 177.584 -0.473 0.000 1.169 11 A CA 1.369 53.284 52.037 -0.203 0.000 0.635 11 A CB -0.660 18.218 19.000 -0.204 0.000 0.810 11 A HN 0.736 nan 8.150 nan 0.000 0.445 12 H N -3.940 115.222 119.070 0.153 0.000 2.865 12 H HA 0.470 5.026 4.556 0.000 0.000 0.362 12 H C 1.191 176.555 175.328 0.059 0.000 1.114 12 H CA -0.322 55.779 56.048 0.089 0.000 1.208 12 H CB 1.482 31.280 29.762 0.060 0.000 1.727 12 H HN 0.053 nan 8.280 nan 0.000 0.534 13 G N 1.238 110.104 108.800 0.110 0.000 2.462 13 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 13 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 13 G C 1.680 176.532 174.900 -0.081 0.000 1.121 13 G CA 0.894 45.979 45.100 -0.026 0.000 0.758 13 G HN 0.705 nan 8.290 nan 0.000 0.559 14 A N 1.136 123.958 122.820 0.004 0.000 1.978 14 A HA -0.106 4.214 4.320 0.000 0.000 0.220 14 A C 2.055 179.593 177.584 -0.076 0.000 1.170 14 A CA 2.114 54.127 52.037 -0.040 0.000 0.636 14 A CB -0.309 18.681 19.000 -0.017 0.000 0.810 14 A HN 0.313 nan 8.150 nan 0.000 0.448 15 D N -0.656 119.735 120.400 -0.014 0.000 2.183 15 D HA -0.081 4.559 4.640 0.000 0.000 0.203 15 D C 1.802 177.869 176.300 -0.390 0.000 0.969 15 D CA 0.968 54.961 54.000 -0.012 0.000 0.842 15 D CB -0.323 40.663 40.800 0.310 0.000 0.957 15 D HN 0.382 nan 8.370 nan 0.000 0.484 16 L N 0.832 121.609 121.223 -0.743 0.000 2.056 16 L HA -0.112 4.228 4.340 0.000 0.000 0.207 16 L C 2.207 178.705 176.870 -0.620 0.000 1.078 16 L CA 1.223 55.330 54.840 -1.223 0.000 0.749 16 L CB -0.539 40.819 42.059 -1.168 0.000 0.901 16 L HN -0.160 nan 8.230 nan 0.000 0.433 17 V N -0.971 118.712 119.914 -0.385 0.000 2.252 17 V HA -0.331 3.789 4.120 0.000 0.000 0.249 17 V C 2.541 178.503 176.094 -0.220 0.000 1.056 17 V CA 1.909 64.061 62.300 -0.246 0.000 1.022 17 V CB -0.816 30.904 31.823 -0.171 0.000 0.641 17 V HN 0.345 nan 8.190 nan 0.000 0.445 18 V N -0.002 119.792 119.914 -0.200 0.000 2.332 18 V HA -0.266 3.854 4.120 0.000 0.000 0.248 18 V C 2.563 178.561 176.094 -0.160 0.000 1.055 18 V CA 2.436 64.645 62.300 -0.152 0.000 1.038 18 V CB -0.761 30.999 31.823 -0.105 0.000 0.651 18 V HN 0.575 nan 8.190 nan 0.000 0.450 19 S N -0.776 114.801 115.700 -0.206 0.000 2.382 19 S HA -0.268 4.202 4.470 0.000 0.000 0.228 19 S C 1.985 176.441 174.600 -0.240 0.000 1.027 19 S CA 1.611 59.703 58.200 -0.180 0.000 0.991 19 S CB -0.331 62.761 63.200 -0.179 0.000 0.823 19 S HN 0.591 nan 8.310 nan 0.000 0.469 20 Q N 1.441 121.066 119.800 -0.291 0.000 2.119 20 Q HA 0.050 4.390 4.340 0.000 0.000 0.201 20 Q C 1.892 177.713 176.000 -0.297 0.000 0.972 20 Q CA 1.347 56.974 55.803 -0.293 0.000 0.847 20 Q CB -0.541 28.041 28.738 -0.260 0.000 0.903 20 Q HN 0.528 nan 8.270 nan 0.000 0.433 21 L N 0.006 121.087 121.223 -0.237 0.000 2.017 21 L HA -0.181 4.159 4.340 0.000 0.000 0.208 21 L C 2.278 179.019 176.870 -0.215 0.000 1.073 21 L CA 1.658 56.359 54.840 -0.231 0.000 0.745 21 L CB -0.534 41.460 42.059 -0.109 0.000 0.894 21 L HN 0.304 nan 8.230 nan 0.000 0.432 22 E N 0.317 120.425 120.200 -0.153 0.000 2.118 22 E HA -0.222 4.128 4.350 0.000 0.000 0.195 22 E C 2.264 178.801 176.600 -0.105 0.000 0.992 22 E CA 1.153 57.492 56.400 -0.102 0.000 0.804 22 E CB -0.189 29.476 29.700 -0.058 0.000 0.741 22 E HN 0.508 nan 8.360 nan 0.000 0.458 23 A N 1.179 123.909 122.820 -0.150 0.000 2.015 23 A HA -0.162 4.158 4.320 0.000 0.000 0.219 23 A C 1.936 179.423 177.584 -0.161 0.000 1.163 23 A CA 0.975 52.943 52.037 -0.115 0.000 0.646 23 A CB -0.076 18.801 19.000 -0.205 0.000 0.806 23 A HN 0.093 nan 8.150 nan 0.000 0.448 24 Q N -1.214 118.404 119.800 -0.304 0.000 2.444 24 Q HA 0.143 4.483 4.340 0.000 0.000 0.206 24 Q C 1.119 176.988 176.000 -0.218 0.000 0.948 24 Q CA 0.718 56.278 55.803 -0.405 0.000 0.946 24 Q CB -0.024 28.110 28.738 -1.008 0.000 1.027 24 Q HN 0.962 nan 8.270 nan 0.000 0.513 25 G N 0.746 109.464 108.800 -0.135 0.000 2.147 25 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 25 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 25 G C 0.167 175.043 174.900 -0.040 0.000 1.005 25 G CA 0.206 45.268 45.100 -0.064 0.000 0.713 25 G HN 0.235 nan 8.290 nan 0.000 0.515 26 V N 0.469 120.348 119.914 -0.058 0.000 2.521 26 V HA 0.232 4.352 4.120 0.000 0.000 0.286 26 V C 1.704 177.784 176.094 -0.023 0.000 1.034 26 V CA 0.607 62.904 62.300 -0.005 0.000 1.045 26 V CB 1.166 32.995 31.823 0.009 0.000 0.974 26 V HN 0.478 nan 8.190 nan 0.000 0.480 27 R N 2.551 123.042 120.500 -0.015 0.000 2.206 27 R HA 0.151 4.491 4.340 0.000 0.000 0.198 27 R C 0.382 176.637 176.300 -0.074 0.000 0.986 27 R CA 0.242 56.320 56.100 -0.037 0.000 1.029 27 R CB 0.389 30.673 30.300 -0.027 0.000 0.966 27 R HN 0.856 nan 8.270 nan 0.000 0.487 28 Q N -0.169 119.567 119.800 -0.106 0.000 2.534 28 Q HA 0.365 4.705 4.340 0.000 0.000 0.290 28 Q C -1.400 174.421 176.000 -0.298 0.000 0.991 28 Q CA -0.825 54.841 55.803 -0.229 0.000 0.783 28 Q CB 1.880 30.417 28.738 -0.336 0.000 1.470 28 Q HN -0.135 nan 8.270 nan 0.000 0.406 29 V N 1.443 121.126 119.914 -0.386 0.000 2.709 29 V HA 0.600 4.720 4.120 0.000 0.000 0.308 29 V C -1.117 174.741 176.094 -0.393 0.000 1.062 29 V CA -0.574 61.546 62.300 -0.299 0.000 0.901 29 V CB 1.602 33.300 31.823 -0.208 0.000 1.003 29 V HN 0.681 nan 8.190 nan 0.000 0.425 30 F N 2.185 122.169 119.950 0.056 0.000 2.450 30 F HA 0.944 5.471 4.527 0.000 0.000 0.332 30 F C 0.825 176.695 175.800 0.116 0.000 1.093 30 F CA 0.034 58.093 58.000 0.098 0.000 1.003 30 F CB 2.132 41.195 39.000 0.105 0.000 1.151 30 F HN 0.786 nan 8.300 nan 0.000 0.474 31 G N 1.755 110.762 108.800 0.346 0.000 2.343 31 G HA2 0.424 4.384 3.960 0.000 0.000 0.289 31 G HA3 0.424 4.384 3.960 0.000 0.000 0.289 31 G C -2.147 172.934 174.900 0.302 0.000 1.295 31 G CA -0.968 44.323 45.100 0.319 0.000 0.869 31 G HN 0.546 nan 8.290 nan 0.000 0.522 32 I N 2.124 122.836 120.570 0.236 0.000 2.499 32 I HA 0.386 4.556 4.170 0.000 0.000 0.288 32 I C -2.183 173.834 176.117 -0.166 0.000 1.048 32 I CA -2.038 59.271 61.300 0.015 0.000 1.062 32 I CB 2.970 40.961 38.000 -0.015 0.000 1.238 32 I HN 0.317 nan 8.210 nan 0.000 0.426 33 P HA 0.328 nan 4.420 nan 0.000 0.274 33 P C -0.401 176.694 177.300 -0.341 0.000 1.237 33 P CA 0.045 62.577 63.100 -0.948 0.000 0.793 33 P CB 1.509 32.420 31.700 -1.315 0.000 0.977 34 G N -1.155 107.524 108.800 -0.203 0.000 2.677 34 G HA2 0.446 4.406 3.960 0.000 0.000 0.291 34 G HA3 0.446 4.406 3.960 0.000 0.000 0.291 34 G C 0.556 175.428 174.900 -0.047 0.000 1.435 34 G CA -0.078 44.968 45.100 -0.090 0.000 0.826 34 G HN 0.388 nan 8.290 nan 0.000 0.491 35 A N 0.472 123.274 122.820 -0.031 0.000 1.903 35 A HA -0.075 4.245 4.320 0.000 0.000 0.219 35 A C 2.281 179.870 177.584 0.008 0.000 1.191 35 A CA 2.155 54.184 52.037 -0.013 0.000 0.638 35 A CB -0.376 18.618 19.000 -0.009 0.000 0.823 35 A HN 0.463 nan 8.150 nan 0.000 0.451 36 K N -1.193 119.217 120.400 0.017 0.000 2.148 36 K HA -0.026 4.294 4.320 0.000 0.000 0.204 36 K C 1.305 177.931 176.600 0.043 0.000 1.050 36 K CA 1.057 57.361 56.287 0.028 0.000 0.942 36 K CB -0.371 32.146 32.500 0.029 0.000 0.724 36 K HN 0.522 nan 8.250 nan 0.000 0.446 37 I N 1.662 122.274 120.570 0.070 0.000 4.082 37 I HA -0.067 4.103 4.170 0.000 0.000 0.337 37 I C 0.614 176.853 176.117 0.202 0.000 1.352 37 I CA -0.106 61.269 61.300 0.124 0.000 1.097 37 I CB 0.032 38.139 38.000 0.179 0.000 1.048 37 I HN 0.046 nan 8.210 nan 0.000 0.393 38 D N 0.329 120.802 120.400 0.122 0.000 2.182 38 D HA -0.293 4.347 4.640 0.000 0.000 0.201 38 D C 1.946 178.325 176.300 0.132 0.000 0.986 38 D CA 1.151 55.226 54.000 0.125 0.000 0.847 38 D CB -0.287 40.519 40.800 0.009 0.000 0.942 38 D HN 0.106 nan 8.370 nan 0.000 0.467 39 K N 0.491 120.926 120.400 0.058 0.000 2.209 39 K HA -0.051 4.269 4.320 0.000 0.000 0.204 39 K C 1.805 178.406 176.600 0.001 0.000 1.048 39 K CA 0.840 57.120 56.287 -0.011 0.000 0.940 39 K CB -0.311 32.154 32.500 -0.059 0.000 0.729 39 K HN 0.173 nan 8.250 nan 0.000 0.451 40 V N 0.189 120.125 119.914 0.037 0.000 2.379 40 V HA -0.149 3.971 4.120 0.000 0.000 0.245 40 V C 1.854 177.906 176.094 -0.069 0.000 1.044 40 V CA 1.565 63.839 62.300 -0.045 0.000 1.036 40 V CB -0.590 31.171 31.823 -0.104 0.000 0.664 40 V HN 0.162 nan 8.190 nan 0.000 0.453 41 F N 0.970 120.899 119.950 -0.034 0.000 2.171 41 F HA -0.180 4.347 4.527 0.000 0.000 0.300 41 F C 2.230 178.012 175.800 -0.031 0.000 1.090 41 F CA 2.065 60.049 58.000 -0.027 0.000 1.293 41 F CB -0.479 38.509 39.000 -0.019 0.000 1.013 41 F HN 0.261 nan 8.300 nan 0.000 0.486 42 D N -0.771 119.714 120.400 0.141 0.000 2.144 42 D HA -0.139 4.501 4.640 0.000 0.000 0.200 42 D C 2.156 178.464 176.300 0.013 0.000 0.978 42 D CA 1.440 55.474 54.000 0.055 0.000 0.833 42 D CB 0.002 40.807 40.800 0.008 0.000 0.961 42 D HN 0.040 nan 8.370 nan 0.000 0.470 43 S N -0.476 115.217 115.700 -0.012 0.000 2.402 43 S HA -0.048 4.422 4.470 0.000 0.000 0.229 43 S C 1.919 176.508 174.600 -0.019 0.000 1.021 43 S CA 0.421 58.610 58.200 -0.018 0.000 0.974 43 S CB -0.219 62.961 63.200 -0.034 0.000 0.800 43 S HN 0.325 nan 8.310 nan 0.000 0.484 44 L N 1.131 122.330 121.223 -0.040 0.000 2.353 44 L HA -0.043 4.297 4.340 0.000 0.000 0.220 44 L C 1.903 178.764 176.870 -0.015 0.000 1.133 44 L CA 0.626 55.436 54.840 -0.051 0.000 0.798 44 L CB -0.499 41.501 42.059 -0.100 0.000 0.922 44 L HN 0.311 nan 8.230 nan 0.000 0.445 45 L N -0.544 120.684 121.223 0.008 0.000 2.191 45 L HA -0.191 4.149 4.340 0.000 0.000 0.212 45 L C 1.327 178.205 176.870 0.015 0.000 1.103 45 L CA 0.950 55.800 54.840 0.018 0.000 0.769 45 L CB -0.346 41.729 42.059 0.027 0.000 0.908 45 L HN 0.323 nan 8.230 nan 0.000 0.438 46 D N -1.091 119.318 120.400 0.015 0.000 2.340 46 D HA 0.046 4.686 4.640 0.000 0.000 0.217 46 D C 0.773 177.083 176.300 0.018 0.000 1.081 46 D CA 0.225 54.238 54.000 0.022 0.000 0.842 46 D CB 0.579 41.401 40.800 0.036 0.000 0.934 46 D HN 0.058 nan 8.370 nan 0.000 0.511 47 S N -0.136 115.567 115.700 0.004 0.000 2.722 47 S HA 0.259 4.729 4.470 0.000 0.000 0.292 47 S C 1.286 175.881 174.600 -0.008 0.000 1.135 47 S CA -0.505 57.692 58.200 -0.005 0.000 1.003 47 S CB 1.512 64.696 63.200 -0.027 0.000 1.067 47 S HN 0.058 nan 8.310 nan 0.000 0.546 48 S N 1.644 117.337 115.700 -0.011 0.000 2.558 48 S HA 0.273 4.743 4.470 0.000 0.000 0.217 48 S C 0.496 175.080 174.600 -0.026 0.000 0.975 48 S CA -0.192 58.000 58.200 -0.013 0.000 0.912 48 S CB -0.624 62.570 63.200 -0.009 0.000 0.776 48 S HN 0.616 nan 8.310 nan 0.000 0.526 49 I N 2.616 123.163 120.570 -0.038 0.000 2.496 49 I HA 0.231 4.402 4.170 0.000 0.000 0.285 49 I C 0.753 176.832 176.117 -0.062 0.000 1.080 49 I CA -0.413 60.852 61.300 -0.058 0.000 1.404 49 I CB 0.662 38.617 38.000 -0.074 0.000 1.403 49 I HN 0.141 nan 8.210 nan 0.000 0.539 50 R N 6.798 127.253 120.500 -0.076 0.000 2.308 50 R HA 0.441 4.781 4.340 0.000 0.000 0.305 50 R C -0.716 175.522 176.300 -0.102 0.000 1.053 50 R CA -0.542 55.516 56.100 -0.071 0.000 0.957 50 R CB 0.645 30.905 30.300 -0.066 0.000 1.022 50 R HN 0.578 nan 8.270 nan 0.000 0.461 51 I N 6.623 127.162 120.570 -0.052 0.000 2.337 51 I HA 0.159 4.329 4.170 0.000 0.000 0.291 51 I C 0.025 176.139 176.117 -0.005 0.000 1.046 51 I CA -0.091 61.194 61.300 -0.026 0.000 1.324 51 I CB 0.950 38.992 38.000 0.070 0.000 1.409 51 I HN 0.500 nan 8.210 nan 0.000 0.494 52 I N 9.044 129.581 120.570 -0.056 0.000 2.460 52 I HA 0.284 4.454 4.170 0.000 0.000 0.277 52 I C -2.342 173.859 176.117 0.140 0.000 1.057 52 I CA -1.907 59.397 61.300 0.006 0.000 1.179 52 I CB 0.837 38.758 38.000 -0.132 0.000 1.329 52 I HN 0.233 nan 8.210 nan 0.000 0.478 53 P HA 0.048 nan 4.420 nan 0.000 0.271 53 P C -0.066 177.341 177.300 0.179 0.000 1.226 53 P CA -0.027 63.176 63.100 0.171 0.000 0.765 53 P CB 0.793 32.559 31.700 0.111 0.000 0.835 54 V N 2.528 122.556 119.914 0.190 0.000 3.302 54 V HA 0.529 4.649 4.120 0.000 0.000 0.316 54 V C 1.080 177.251 176.094 0.129 0.000 1.111 54 V CA -0.481 61.928 62.300 0.181 0.000 1.029 54 V CB 1.814 33.759 31.823 0.204 0.000 1.170 54 V HN 0.227 nan 8.190 nan 0.000 0.452 55 R N -0.824 119.755 120.500 0.132 0.000 2.308 55 R HA 0.325 4.665 4.340 0.000 0.000 0.202 55 R C -0.208 176.176 176.300 0.139 0.000 0.898 55 R CA 0.452 56.623 56.100 0.119 0.000 1.046 55 R CB -0.440 29.938 30.300 0.132 0.000 1.026 55 R HN 1.006 nan 8.270 nan 0.000 0.512 56 H N -0.435 118.666 119.070 0.052 0.000 3.083 56 H HA 0.173 4.729 4.556 0.000 0.000 0.339 56 H C 0.098 175.443 175.328 0.028 0.000 1.020 56 H CA -0.204 55.864 56.048 0.033 0.000 1.360 56 H CB 1.375 31.150 29.762 0.023 0.000 1.811 56 H HN -0.227 nan 8.280 nan 0.000 0.493 57 E N 3.189 123.278 120.200 -0.185 0.000 2.147 57 E HA -0.231 4.119 4.350 0.000 0.000 0.199 57 E C 1.999 178.605 176.600 0.010 0.000 1.005 57 E CA 1.774 58.148 56.400 -0.044 0.000 0.810 57 E CB -0.047 29.606 29.700 -0.078 0.000 0.736 57 E HN 0.675 nan 8.360 nan 0.000 0.460 58 A N 1.455 124.353 122.820 0.130 0.000 1.917 58 A HA -0.277 4.043 4.320 0.000 0.000 0.219 58 A C 1.782 179.152 177.584 -0.356 0.000 1.182 58 A CA 1.859 53.836 52.037 -0.100 0.000 0.633 58 A CB -0.569 18.454 19.000 0.039 0.000 0.819 58 A HN 0.203 nan 8.150 nan 0.000 0.448 59 N N 0.223 118.912 118.700 -0.019 0.000 2.381 59 N HA -0.035 4.705 4.740 0.000 0.000 0.182 59 N C 1.747 177.250 175.510 -0.012 0.000 1.025 59 N CA 1.185 54.277 53.050 0.069 0.000 0.888 59 N CB -0.433 38.143 38.487 0.149 0.000 0.965 59 N HN 0.526 nan 8.380 nan 0.000 0.438 60 A N 1.135 123.948 122.820 -0.011 0.000 1.930 60 A HA 0.080 4.400 4.320 0.000 0.000 0.217 60 A C 2.382 179.924 177.584 -0.071 0.000 1.175 60 A CA 1.606 53.657 52.037 0.024 0.000 0.627 60 A CB -0.574 18.515 19.000 0.149 0.000 0.815 60 A HN 0.292 nan 8.150 nan 0.000 0.443 61 A N -1.045 121.699 122.820 -0.127 0.000 1.930 61 A HA 0.044 4.364 4.320 0.000 0.000 0.217 61 A C 2.023 179.581 177.584 -0.043 0.000 1.175 61 A CA 1.224 53.186 52.037 -0.124 0.000 0.627 61 A CB -0.716 18.146 19.000 -0.230 0.000 0.815 61 A HN 0.531 nan 8.150 nan 0.000 0.443 62 F N -0.609 119.346 119.950 0.008 0.000 2.113 62 F HA -0.158 4.369 4.527 0.000 0.000 0.297 62 F C 2.649 178.506 175.800 0.094 0.000 1.103 62 F CA 1.186 59.215 58.000 0.047 0.000 1.248 62 F CB -0.364 38.554 39.000 -0.136 0.000 0.999 62 F HN 0.109 nan 8.300 nan 0.000 0.475 63 M N 0.163 119.780 119.600 0.028 0.000 2.117 63 M HA -0.195 4.285 4.480 0.000 0.000 0.262 63 M C 2.506 178.591 176.300 -0.358 0.000 1.065 63 M CA 1.716 56.841 55.300 -0.292 0.000 1.114 63 M CB -0.606 31.441 32.600 -0.923 0.000 1.361 63 M HN 0.207 nan 8.290 nan 0.000 0.408 64 A N 0.324 122.943 122.820 -0.334 0.000 1.972 64 A HA -0.029 4.291 4.320 0.000 0.000 0.219 64 A C 2.360 179.994 177.584 0.084 0.000 1.169 64 A CA 1.810 53.836 52.037 -0.018 0.000 0.635 64 A CB -0.831 18.228 19.000 0.098 0.000 0.810 64 A HN 0.501 nan 8.150 nan 0.000 0.446 65 A N -0.105 122.794 122.820 0.131 0.000 1.898 65 A HA 0.198 4.518 4.320 0.000 0.000 0.216 65 A C 2.497 180.125 177.584 0.074 0.000 1.181 65 A CA 1.923 54.055 52.037 0.158 0.000 0.620 65 A CB -0.970 18.221 19.000 0.319 0.000 0.819 65 A HN 1.002 nan 8.150 nan 0.000 0.442 66 A N -0.478 122.392 122.820 0.084 0.000 1.877 66 A HA -0.016 4.304 4.320 0.000 0.000 0.216 66 A C 2.229 179.826 177.584 0.022 0.000 1.186 66 A CA 1.804 53.830 52.037 -0.020 0.000 0.620 66 A CB -1.005 18.036 19.000 0.068 0.000 0.822 66 A HN 0.387 nan 8.150 nan 0.000 0.443 67 V N -0.059 119.903 119.914 0.080 0.000 2.287 67 V HA -0.218 3.902 4.120 0.000 0.000 0.248 67 V C 2.802 178.944 176.094 0.079 0.000 1.053 67 V CA 2.118 64.484 62.300 0.110 0.000 1.027 67 V CB -1.433 30.515 31.823 0.207 0.000 0.646 67 V HN 0.625 nan 8.190 nan 0.000 0.447 68 G N -0.720 108.125 108.800 0.075 0.000 2.402 68 G HA2 -0.275 3.685 3.960 0.000 0.000 0.216 68 G HA3 -0.275 3.685 3.960 0.000 0.000 0.216 68 G C 1.712 176.627 174.900 0.024 0.000 1.162 68 G CA 0.846 45.981 45.100 0.058 0.000 0.777 68 G HN 0.428 nan 8.290 nan 0.000 0.539 69 R N 0.011 120.507 120.500 -0.006 0.000 2.081 69 R HA 0.013 4.353 4.340 0.000 0.000 0.235 69 R C 2.489 178.768 176.300 -0.035 0.000 1.131 69 R CA 1.316 57.391 56.100 -0.042 0.000 0.960 69 R CB -0.289 29.944 30.300 -0.112 0.000 0.856 69 R HN 0.439 nan 8.270 nan 0.000 0.436 70 I N -0.097 120.458 120.570 -0.025 0.000 2.333 70 I HA -0.183 3.987 4.170 0.000 0.000 0.246 70 I C 2.305 178.421 176.117 -0.002 0.000 1.106 70 I CA 1.622 62.912 61.300 -0.016 0.000 1.411 70 I CB -0.270 37.725 38.000 -0.007 0.000 1.082 70 I HN 0.359 nan 8.210 nan 0.000 0.420 71 T N -2.453 112.111 114.554 0.015 0.000 3.054 71 T HA 0.228 4.578 4.350 0.000 0.000 0.259 71 T C 1.680 176.393 174.700 0.022 0.000 1.092 71 T CA 0.672 62.784 62.100 0.020 0.000 1.121 71 T CB 0.492 69.381 68.868 0.036 0.000 0.912 71 T HN 0.515 nan 8.240 nan 0.000 0.489 72 G N 1.371 110.186 108.800 0.024 0.000 2.225 72 G HA2 -0.228 3.732 3.960 0.000 0.000 0.254 72 G HA3 -0.228 3.732 3.960 0.000 0.000 0.254 72 G C -0.003 174.926 174.900 0.049 0.000 0.988 72 G CA 0.161 45.277 45.100 0.026 0.000 0.625 72 G HN 0.667 nan 8.290 nan 0.000 0.527 73 K N 0.934 121.374 120.400 0.067 0.000 2.182 73 K HA 0.696 5.016 4.320 0.000 0.000 0.262 73 K C 0.629 177.311 176.600 0.138 0.000 0.957 73 K CA -0.143 56.211 56.287 0.111 0.000 0.842 73 K CB 1.858 34.418 32.500 0.101 0.000 1.099 73 K HN 0.594 nan 8.250 nan 0.000 0.438 74 A N 2.119 125.045 122.820 0.177 0.000 2.584 74 A HA 0.135 4.455 4.320 0.000 0.000 0.239 74 A C 0.608 178.278 177.584 0.143 0.000 1.043 74 A CA 0.472 52.568 52.037 0.098 0.000 0.756 74 A CB -0.210 18.724 19.000 -0.110 0.000 0.963 74 A HN 0.817 nan 8.150 nan 0.000 0.511 75 G N 0.513 109.378 108.800 0.108 0.000 2.503 75 G HA2 0.494 4.454 3.960 0.000 0.000 0.257 75 G HA3 0.494 4.454 3.960 0.000 0.000 0.257 75 G C -0.511 174.481 174.900 0.153 0.000 1.214 75 G CA -0.326 44.882 45.100 0.180 0.000 0.839 75 G HN 0.939 nan 8.290 nan 0.000 0.559 76 V N 0.938 120.996 119.914 0.239 0.000 2.448 76 V HA 0.687 4.807 4.120 0.000 0.000 0.295 76 V C 0.369 176.601 176.094 0.229 0.000 1.025 76 V CA -0.730 61.670 62.300 0.167 0.000 0.859 76 V CB 1.168 33.078 31.823 0.146 0.000 0.988 76 V HN 1.095 nan 8.190 nan 0.000 0.431 77 A N 4.936 127.844 122.820 0.147 0.000 2.337 77 A HA 0.941 5.261 4.320 0.000 0.000 0.329 77 A C -1.235 176.398 177.584 0.083 0.000 1.146 77 A CA -0.566 51.570 52.037 0.164 0.000 0.800 77 A CB 1.438 20.520 19.000 0.137 0.000 1.220 77 A HN 0.825 nan 8.150 nan 0.000 0.472 78 L N 3.296 124.573 121.223 0.090 0.000 2.404 78 L HA 0.720 5.060 4.340 0.000 0.000 0.272 78 L C -0.571 176.423 176.870 0.207 0.000 0.980 78 L CA -0.366 54.498 54.840 0.041 0.000 0.836 78 L CB 1.806 43.739 42.059 -0.210 0.000 1.238 78 L HN 0.960 nan 8.230 nan 0.000 0.408 79 V N 0.884 120.909 119.914 0.185 0.000 3.141 79 V HA 0.744 4.864 4.120 0.000 0.000 0.312 79 V C -0.095 176.103 176.094 0.173 0.000 1.157 79 V CA -0.437 61.983 62.300 0.199 0.000 1.041 79 V CB 1.609 33.518 31.823 0.143 0.000 1.071 79 V HN 0.745 nan 8.190 nan 0.000 0.441 80 T N 0.960 115.588 114.554 0.124 0.000 2.814 80 T HA 0.513 4.863 4.350 0.000 0.000 0.284 80 T C 0.626 175.374 174.700 0.081 0.000 0.998 80 T CA 0.400 62.553 62.100 0.088 0.000 0.935 80 T CB 1.018 69.908 68.868 0.036 0.000 1.167 80 T HN 1.620 nan 8.240 nan 0.000 0.545 81 S N 0.047 115.786 115.700 0.065 0.000 2.617 81 S HA 0.552 5.022 4.470 0.000 0.000 0.259 81 S C 1.283 175.919 174.600 0.059 0.000 1.301 81 S CA -0.079 58.163 58.200 0.070 0.000 0.984 81 S CB -0.161 63.071 63.200 0.053 0.000 0.954 81 S HN 1.609 nan 8.310 nan 0.000 0.572 82 G N 1.486 110.324 108.800 0.064 0.000 2.596 82 G HA2 -0.278 3.682 3.960 0.000 0.000 0.304 82 G HA3 -0.278 3.682 3.960 0.000 0.000 0.304 82 G C -1.183 173.741 174.900 0.040 0.000 1.189 82 G CA 0.247 45.374 45.100 0.045 0.000 0.986 82 G HN 0.743 nan 8.290 nan 0.000 0.548 83 P HA -0.034 nan 4.420 nan 0.000 0.222 83 P C 1.878 179.177 177.300 -0.002 0.000 1.147 83 P CA 2.391 65.492 63.100 0.001 0.000 0.790 83 P CB -0.674 31.019 31.700 -0.011 0.000 0.780 84 G N -0.164 108.645 108.800 0.016 0.000 2.418 84 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 84 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 84 G C 1.672 176.617 174.900 0.074 0.000 1.158 84 G CA 0.818 45.932 45.100 0.024 0.000 0.771 84 G HN 0.263 nan 8.290 nan 0.000 0.545 85 C N 1.098 120.471 119.300 0.122 0.000 2.518 85 C HA 0.036 4.496 4.460 0.000 0.000 0.279 85 C C 3.460 178.575 174.990 0.209 0.000 1.279 85 C CA 1.244 60.397 59.018 0.224 0.000 1.703 85 C CB -0.660 27.236 27.740 0.260 0.000 2.072 85 C HN 0.578 nan 8.230 nan 0.000 0.487 86 S N 1.303 117.047 115.700 0.073 0.000 2.419 86 S HA -0.208 4.262 4.470 0.000 0.000 0.235 86 S C 1.234 175.798 174.600 -0.059 0.000 1.019 86 S CA 1.730 59.898 58.200 -0.054 0.000 0.982 86 S CB -1.078 62.093 63.200 -0.049 0.000 0.789 86 S HN 0.744 nan 8.310 nan 0.000 0.490 87 N N 0.645 119.338 118.700 -0.012 0.000 2.494 87 N HA 0.208 4.948 4.740 0.000 0.000 0.182 87 N C 1.286 176.796 175.510 0.000 0.000 1.076 87 N CA 0.462 53.508 53.050 -0.005 0.000 0.908 87 N CB -0.121 38.298 38.487 -0.113 0.000 0.967 87 N HN 0.403 nan 8.380 nan 0.000 0.449 88 L N 0.387 121.623 121.223 0.021 0.000 2.416 88 L HA 0.100 4.440 4.340 0.000 0.000 0.216 88 L C 1.874 178.715 176.870 -0.047 0.000 1.098 88 L CA 0.072 54.933 54.840 0.035 0.000 0.840 88 L CB -0.018 42.172 42.059 0.217 0.000 0.981 88 L HN 0.163 nan 8.230 nan 0.000 0.462 89 I N 0.099 120.540 120.570 -0.214 0.000 2.113 89 I HA -0.402 3.769 4.170 0.000 0.000 0.242 89 I C 2.416 178.409 176.117 -0.207 0.000 1.057 89 I CA 1.996 63.054 61.300 -0.403 0.000 1.314 89 I CB -0.674 37.011 38.000 -0.524 0.000 1.022 89 I HN 0.263 nan 8.210 nan 0.000 0.408 90 T N 0.363 114.832 114.554 -0.142 0.000 2.788 90 T HA -0.120 4.230 4.350 0.000 0.000 0.268 90 T C 1.854 176.524 174.700 -0.051 0.000 1.044 90 T CA 1.444 63.505 62.100 -0.064 0.000 1.139 90 T CB -0.708 68.154 68.868 -0.010 0.000 0.867 90 T HN 0.631 nan 8.240 nan 0.000 0.454 91 G N 1.518 110.170 108.800 -0.248 0.000 2.418 91 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 91 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 91 G C 1.533 176.389 174.900 -0.073 0.000 1.158 91 G CA 0.625 45.451 45.100 -0.456 0.000 0.771 91 G HN 0.290 nan 8.290 nan 0.000 0.545 92 M N 1.196 120.788 119.600 -0.013 0.000 2.159 92 M HA 0.075 4.555 4.480 0.000 0.000 0.263 92 M C 2.979 179.332 176.300 0.089 0.000 1.063 92 M CA 1.210 56.564 55.300 0.089 0.000 1.110 92 M CB -1.224 31.494 32.600 0.196 0.000 1.374 92 M HN 0.318 nan 8.290 nan 0.000 0.411 93 A N -0.368 122.479 122.820 0.044 0.000 1.969 93 A HA -0.109 4.211 4.320 0.000 0.000 0.218 93 A C 2.323 179.966 177.584 0.099 0.000 1.169 93 A CA 2.041 54.107 52.037 0.048 0.000 0.635 93 A CB -0.982 18.018 19.000 0.001 0.000 0.810 93 A HN 0.473 nan 8.150 nan 0.000 0.445 94 T N 0.096 114.743 114.554 0.155 0.000 2.777 94 T HA 0.056 4.406 4.350 0.000 0.000 0.266 94 T C 2.233 177.084 174.700 0.251 0.000 1.040 94 T CA 1.366 63.605 62.100 0.232 0.000 1.141 94 T CB -0.343 68.758 68.868 0.388 0.000 0.868 94 T HN 0.568 nan 8.240 nan 0.000 0.444 95 A N 1.895 124.861 122.820 0.243 0.000 1.898 95 A HA -0.113 4.207 4.320 0.000 0.000 0.216 95 A C 2.188 179.858 177.584 0.144 0.000 1.181 95 A CA 1.812 53.976 52.037 0.211 0.000 0.620 95 A CB -0.828 18.281 19.000 0.183 0.000 0.819 95 A HN 0.450 nan 8.150 nan 0.000 0.442 96 N N 0.048 118.822 118.700 0.124 0.000 2.166 96 N HA -0.102 4.638 4.740 0.000 0.000 0.186 96 N C 1.827 177.392 175.510 0.092 0.000 1.019 96 N CA 1.727 54.837 53.050 0.099 0.000 0.856 96 N CB -0.167 38.374 38.487 0.091 0.000 0.993 96 N HN 0.367 nan 8.380 nan 0.000 0.426 97 S N -0.069 115.691 115.700 0.099 0.000 2.383 97 S HA -0.018 4.452 4.470 0.000 0.000 0.227 97 S C 1.149 175.803 174.600 0.091 0.000 1.026 97 S CA 0.830 59.083 58.200 0.088 0.000 0.981 97 S CB -0.113 63.140 63.200 0.088 0.000 0.818 97 S HN 0.366 nan 8.310 nan 0.000 0.472 98 E N 0.276 120.542 120.200 0.110 0.000 2.479 98 E HA 0.210 4.561 4.350 0.000 0.000 0.193 98 E C 1.213 177.848 176.600 0.057 0.000 1.049 98 E CA 0.343 56.795 56.400 0.088 0.000 0.870 98 E CB -0.286 29.477 29.700 0.104 0.000 0.944 98 E HN 0.498 nan 8.360 nan 0.000 0.492 99 G N 2.198 111.037 108.800 0.066 0.000 2.176 99 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 99 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 99 G C -0.539 174.385 174.900 0.040 0.000 1.024 99 G CA 0.113 45.243 45.100 0.051 0.000 0.755 99 G HN 0.144 nan 8.290 nan 0.000 0.507 100 D N 1.366 121.798 120.400 0.054 0.000 2.280 100 D HA 0.367 5.007 4.640 0.000 0.000 0.243 100 D C -2.057 174.274 176.300 0.052 0.000 1.129 100 D CA -1.176 52.851 54.000 0.045 0.000 0.848 100 D CB 1.751 42.588 40.800 0.062 0.000 1.107 100 D HN 0.181 nan 8.370 nan 0.000 0.471 101 P HA 0.066 nan 4.420 nan 0.000 0.275 101 P C -0.583 176.725 177.300 0.012 0.000 1.276 101 P CA -0.146 62.967 63.100 0.021 0.000 0.782 101 P CB 0.822 32.536 31.700 0.024 0.000 0.851 102 V N 4.930 124.840 119.914 -0.007 0.000 2.760 102 V HA 0.337 4.457 4.120 0.000 0.000 0.309 102 V C -0.045 175.991 176.094 -0.098 0.000 1.077 102 V CA -0.795 61.493 62.300 -0.020 0.000 0.910 102 V CB 2.792 34.644 31.823 0.049 0.000 1.008 102 V HN 0.208 nan 8.190 nan 0.000 0.424 103 V N 3.324 123.126 119.914 -0.186 0.000 2.407 103 V HA 0.783 4.903 4.120 0.000 0.000 0.291 103 V C 0.215 176.234 176.094 -0.125 0.000 1.018 103 V CA -0.460 61.678 62.300 -0.270 0.000 0.842 103 V CB 1.717 33.102 31.823 -0.730 0.000 0.996 103 V HN 1.022 nan 8.190 nan 0.000 0.426 104 A N 6.429 129.219 122.820 -0.050 0.000 2.276 104 A HA 0.854 5.174 4.320 0.000 0.000 0.316 104 A C -0.706 176.805 177.584 -0.122 0.000 1.229 104 A CA -0.465 51.574 52.037 0.003 0.000 0.851 104 A CB 0.594 19.678 19.000 0.140 0.000 1.165 104 A HN 0.815 nan 8.150 nan 0.000 0.513 105 L N 3.284 124.444 121.223 -0.105 0.000 2.277 105 L HA 0.555 4.895 4.340 0.000 0.000 0.284 105 L C 0.646 177.446 176.870 -0.118 0.000 1.028 105 L CA -0.374 54.357 54.840 -0.182 0.000 0.835 105 L CB 1.576 43.562 42.059 -0.123 0.000 1.215 105 L HN 0.811 nan 8.230 nan 0.000 0.425 106 G N 1.805 110.473 108.800 -0.220 0.000 2.416 106 G HA2 0.553 4.513 3.960 0.000 0.000 0.324 106 G HA3 0.553 4.513 3.960 0.000 0.000 0.324 106 G C 0.096 174.982 174.900 -0.023 0.000 1.194 106 G CA -0.442 44.659 45.100 0.001 0.000 0.922 106 G HN 0.618 nan 8.290 nan 0.000 0.467 107 G N -0.219 108.609 108.800 0.045 0.000 2.667 107 G HA2 0.679 4.639 3.960 0.000 0.000 0.250 107 G HA3 0.679 4.639 3.960 0.000 0.000 0.250 107 G C 0.044 174.973 174.900 0.047 0.000 1.212 107 G CA 0.565 45.686 45.100 0.035 0.000 0.874 107 G HN 1.533 nan 8.290 nan 0.000 0.561 108 A N -0.945 121.894 122.820 0.031 0.000 2.601 108 A HA 0.672 4.992 4.320 0.000 0.000 0.291 108 A C -0.088 177.512 177.584 0.025 0.000 1.075 108 A CA -0.017 52.042 52.037 0.037 0.000 0.671 108 A CB 0.647 19.667 19.000 0.033 0.000 1.277 108 A HN 2.126 nan 8.150 nan 0.000 0.417 109 V N -0.642 119.287 119.914 0.026 0.000 3.096 109 V HA 0.347 4.467 4.120 0.000 0.000 0.306 109 V C 0.331 176.434 176.094 0.015 0.000 1.088 109 V CA -0.449 61.863 62.300 0.020 0.000 1.129 109 V CB -0.287 31.548 31.823 0.020 0.000 1.014 109 V HN 0.833 nan 8.190 nan 0.000 0.486 110 K N 2.308 122.716 120.400 0.013 0.000 2.527 110 K HA 0.077 4.397 4.320 0.000 0.000 0.278 110 K C 1.420 178.026 176.600 0.009 0.000 0.981 110 K CA 0.211 56.505 56.287 0.011 0.000 1.009 110 K CB 0.331 32.838 32.500 0.012 0.000 0.895 110 K HN 0.609 nan 8.250 nan 0.000 0.493 111 R N 1.596 122.100 120.500 0.006 0.000 2.113 111 R HA -0.279 4.061 4.340 0.000 0.000 0.244 111 R C 2.183 178.487 176.300 0.006 0.000 1.142 111 R CA 1.977 58.080 56.100 0.004 0.000 0.953 111 R CB -0.549 29.752 30.300 0.001 0.000 0.860 111 R HN 0.778 nan 8.270 nan 0.000 0.438 112 A N 1.105 123.929 122.820 0.007 0.000 2.019 112 A HA -0.155 4.165 4.320 0.000 0.000 0.219 112 A C 1.255 178.844 177.584 0.008 0.000 1.164 112 A CA 1.584 53.625 52.037 0.007 0.000 0.644 112 A CB -0.146 18.858 19.000 0.007 0.000 0.805 112 A HN 0.212 nan 8.150 nan 0.000 0.449 113 D N -0.889 119.517 120.400 0.009 0.000 2.340 113 D HA -0.005 4.635 4.640 0.000 0.000 0.220 113 D C 1.610 177.917 176.300 0.011 0.000 1.039 113 D CA 0.401 54.407 54.000 0.010 0.000 0.866 113 D CB 0.027 40.833 40.800 0.011 0.000 0.913 113 D HN 0.576 nan 8.370 nan 0.000 0.523 114 K N 1.424 121.831 120.400 0.011 0.000 2.020 114 K HA -0.160 4.160 4.320 0.000 0.000 0.212 114 K C 1.735 178.342 176.600 0.012 0.000 1.050 114 K CA 1.580 57.875 56.287 0.013 0.000 0.929 114 K CB 0.020 32.528 32.500 0.013 0.000 0.714 114 K HN 0.004 nan 8.250 nan 0.000 0.443 115 A N 0.989 123.815 122.820 0.009 0.000 2.238 115 A HA 0.031 4.351 4.320 0.000 0.000 0.208 115 A C 0.145 177.734 177.584 0.007 0.000 1.177 115 A CA 0.241 52.283 52.037 0.008 0.000 0.804 115 A CB -0.031 18.972 19.000 0.006 0.000 0.823 115 A HN 0.105 nan 8.150 nan 0.000 0.482 116 K N 0.174 120.578 120.400 0.008 0.000 2.219 116 K HA 0.443 4.763 4.320 0.000 0.000 0.258 116 K C 0.849 177.453 176.600 0.007 0.000 1.008 116 K CA 0.423 56.714 56.287 0.007 0.000 0.928 116 K CB 0.189 32.693 32.500 0.007 0.000 0.983 116 K HN 0.469 nan 8.250 nan 0.000 0.484 122 M N 2.389 122.012 119.600 0.038 0.000 2.249 122 M HA 0.323 4.803 4.480 0.000 0.000 0.351 122 M C -0.222 176.111 176.300 0.056 0.000 1.180 122 M CA -0.341 54.983 55.300 0.040 0.000 1.127 122 M CB 0.699 33.325 32.600 0.045 0.000 1.546 122 M HN 0.795 nan 8.290 nan 0.000 0.461 123 D N 2.209 122.636 120.400 0.045 0.000 2.608 123 D HA 0.024 4.664 4.640 0.000 0.000 0.224 123 D C 1.220 177.569 176.300 0.082 0.000 1.123 123 D CA -0.008 54.025 54.000 0.056 0.000 1.030 123 D CB 0.437 41.258 40.800 0.034 0.000 1.093 123 D HN 0.728 nan 8.370 nan 0.000 0.497 124 T N -1.516 113.118 114.554 0.134 0.000 2.759 124 T HA -0.168 4.182 4.350 0.000 0.000 0.269 124 T C 2.082 176.932 174.700 0.249 0.000 1.042 124 T CA 0.906 63.126 62.100 0.201 0.000 1.140 124 T CB -0.357 68.673 68.868 0.269 0.000 0.864 124 T HN 0.129 nan 8.240 nan 0.000 0.455 125 V N 2.344 122.409 119.914 0.252 0.000 2.332 125 V HA -0.132 3.988 4.120 0.000 0.000 0.248 125 V C 3.252 179.432 176.094 0.144 0.000 1.055 125 V CA 1.759 64.199 62.300 0.233 0.000 1.038 125 V CB -1.453 30.451 31.823 0.136 0.000 0.651 125 V HN 0.712 nan 8.190 nan 0.000 0.450 126 A N -0.891 121.981 122.820 0.087 0.000 1.969 126 A HA -0.180 4.140 4.320 0.000 0.000 0.218 126 A C 2.182 179.770 177.584 0.007 0.000 1.169 126 A CA 2.005 54.066 52.037 0.039 0.000 0.635 126 A CB -0.433 18.579 19.000 0.021 0.000 0.810 126 A HN 0.535 nan 8.150 nan 0.000 0.445 127 M N -2.422 117.174 119.600 -0.007 0.000 2.288 127 M HA 0.097 4.577 4.480 0.000 0.000 0.266 127 M C 1.516 177.668 176.300 -0.248 0.000 1.072 127 M CA 1.094 56.313 55.300 -0.134 0.000 1.132 127 M CB -0.113 32.373 32.600 -0.189 0.000 1.386 127 M HN 0.423 nan 8.290 nan 0.000 0.432 128 F N -0.709 119.120 119.950 -0.201 0.000 2.473 128 F HA 0.020 4.547 4.527 0.000 0.000 0.294 128 F C 2.751 178.501 175.800 -0.083 0.000 1.103 128 F CA 0.843 58.713 58.000 -0.216 0.000 1.442 128 F CB -0.480 38.263 39.000 -0.428 0.000 1.097 128 F HN 0.095 nan 8.300 nan 0.000 0.547 129 S N 0.784 116.556 115.700 0.120 0.000 2.392 129 S HA -0.166 4.304 4.470 0.000 0.000 0.232 129 S C -0.417 174.207 174.600 0.041 0.000 1.041 129 S CA 1.688 59.935 58.200 0.078 0.000 1.026 129 S CB -1.132 62.097 63.200 0.048 0.000 0.845 129 S HN 0.138 nan 8.310 nan 0.000 0.465 130 P HA 0.068 nan 4.420 nan 0.000 0.229 130 P C 0.814 178.108 177.300 -0.009 0.000 1.160 130 P CA 0.818 63.910 63.100 -0.014 0.000 0.777 130 P CB 0.027 31.702 31.700 -0.043 0.000 0.814 131 V N -5.024 114.889 119.914 -0.003 0.000 3.070 131 V HA 0.362 4.482 4.120 0.000 0.000 0.345 131 V C 0.119 176.256 176.094 0.072 0.000 1.403 131 V CA 0.064 62.371 62.300 0.012 0.000 1.155 131 V CB -0.520 31.279 31.823 -0.039 0.000 1.140 131 V HN 0.053 nan 8.190 nan 0.000 0.505 132 T N -3.669 110.945 114.554 0.100 0.000 2.865 132 T HA 0.522 4.872 4.350 0.000 0.000 0.294 132 T C 0.229 175.003 174.700 0.124 0.000 1.119 132 T CA -0.515 61.668 62.100 0.139 0.000 1.007 132 T CB 2.561 71.554 68.868 0.208 0.000 1.225 132 T HN 0.047 nan 8.240 nan 0.000 0.515 133 K N -0.920 119.566 120.400 0.143 0.000 2.284 133 K HA 0.183 4.503 4.320 0.000 0.000 0.198 133 K C -0.619 176.110 176.600 0.216 0.000 1.048 133 K CA 0.321 56.693 56.287 0.141 0.000 0.987 133 K CB 0.257 32.828 32.500 0.119 0.000 0.800 133 K HN 0.578 nan 8.250 nan 0.000 0.486 134 Y N 0.183 120.518 120.300 0.057 0.000 2.361 134 Y HA 0.457 5.007 4.550 0.000 0.000 0.328 134 Y C -1.929 174.019 175.900 0.080 0.000 1.044 134 Y CA -1.174 56.955 58.100 0.049 0.000 1.085 134 Y CB 1.825 40.295 38.460 0.017 0.000 1.194 134 Y HN -0.106 nan 8.280 nan 0.000 0.438 135 A N 7.819 130.528 122.820 -0.186 0.000 2.457 135 A HA 0.799 5.119 4.320 0.000 0.000 0.283 135 A C -1.951 175.463 177.584 -0.284 0.000 1.166 135 A CA -0.460 51.526 52.037 -0.087 0.000 0.740 135 A CB 0.316 19.396 19.000 0.132 0.000 1.181 135 A HN 0.499 nan 8.150 nan 0.000 0.446 136 I N 0.648 120.967 120.570 -0.417 0.000 2.969 136 I HA 0.525 4.695 4.170 0.000 0.000 0.307 136 I C -0.210 175.748 176.117 -0.266 0.000 1.149 136 I CA -0.541 60.539 61.300 -0.367 0.000 1.008 136 I CB 2.143 39.822 38.000 -0.535 0.000 1.232 136 I HN 0.858 nan 8.210 nan 0.000 0.435 137 E N 2.780 122.880 120.200 -0.166 0.000 2.210 137 E HA 0.498 4.848 4.350 0.000 0.000 0.266 137 E C -1.495 175.042 176.600 -0.105 0.000 0.883 137 E CA -0.606 55.712 56.400 -0.136 0.000 0.761 137 E CB 2.182 31.844 29.700 -0.063 0.000 1.156 137 E HN 0.344 nan 8.360 nan 0.000 0.412 138 V N 4.950 124.801 119.914 -0.105 0.000 2.397 138 V HA 0.047 4.167 4.120 0.000 0.000 0.262 138 V C 1.167 177.232 176.094 -0.048 0.000 1.047 138 V CA 0.833 63.090 62.300 -0.071 0.000 1.003 138 V CB 0.372 32.151 31.823 -0.074 0.000 1.037 138 V HN 0.942 nan 8.190 nan 0.000 0.480 139 T N 1.152 115.685 114.554 -0.035 0.000 2.990 139 T HA 0.351 4.701 4.350 0.000 0.000 0.250 139 T C 0.670 175.361 174.700 -0.014 0.000 1.041 139 T CA 0.503 62.590 62.100 -0.021 0.000 1.010 139 T CB 0.487 69.345 68.868 -0.017 0.000 1.003 139 T HN 0.690 nan 8.240 nan 0.000 0.499 140 A N 2.603 125.414 122.820 -0.015 0.000 2.394 140 A HA 0.691 5.011 4.320 0.000 0.000 0.333 140 A C -1.730 175.848 177.584 -0.011 0.000 1.397 140 A CA -1.683 50.349 52.037 -0.008 0.000 0.884 140 A CB 1.038 20.036 19.000 -0.004 0.000 1.147 140 A HN 0.063 nan 8.150 nan 0.000 0.505 141 P HA -0.187 nan 4.420 nan 0.000 0.217 141 P C 0.512 177.807 177.300 -0.008 0.000 1.151 141 P CA 1.318 64.412 63.100 -0.010 0.000 0.849 141 P CB 0.271 31.971 31.700 0.001 0.000 0.787 142 D N -1.545 118.856 120.400 0.003 0.000 2.363 142 D HA 0.082 4.722 4.640 0.000 0.000 0.226 142 D C 1.037 177.338 176.300 0.002 0.000 1.020 142 D CA 0.532 54.539 54.000 0.011 0.000 0.892 142 D CB 0.034 40.847 40.800 0.021 0.000 0.900 142 D HN 0.169 nan 8.370 nan 0.000 0.531 143 A N 0.290 123.105 122.820 -0.009 0.000 2.631 143 A HA 0.154 4.474 4.320 0.000 0.000 0.294 143 A C 1.468 179.036 177.584 -0.027 0.000 1.156 143 A CA -0.333 51.698 52.037 -0.011 0.000 0.963 143 A CB 0.141 19.141 19.000 -0.000 0.000 1.202 143 A HN 0.082 nan 8.150 nan 0.000 0.523 144 L N 0.049 121.242 121.223 -0.050 0.000 2.017 144 L HA -0.037 4.303 4.340 0.000 0.000 0.208 144 L C 2.479 179.295 176.870 -0.089 0.000 1.073 144 L CA 2.674 57.469 54.840 -0.076 0.000 0.745 144 L CB -0.649 41.345 42.059 -0.107 0.000 0.894 144 L HN 0.387 nan 8.230 nan 0.000 0.432 145 A N -1.025 121.727 122.820 -0.114 0.000 1.972 145 A HA -0.196 4.124 4.320 0.000 0.000 0.219 145 A C 2.089 179.634 177.584 -0.065 0.000 1.169 145 A CA 1.660 53.621 52.037 -0.126 0.000 0.635 145 A CB -0.536 18.371 19.000 -0.155 0.000 0.810 145 A HN 0.539 nan 8.150 nan 0.000 0.446 146 E N -0.389 119.790 120.200 -0.034 0.000 2.031 146 E HA -0.107 4.243 4.350 0.000 0.000 0.193 146 E C 1.982 178.599 176.600 0.029 0.000 0.994 146 E CA 1.338 57.736 56.400 -0.003 0.000 0.800 146 E CB -0.420 29.286 29.700 0.009 0.000 0.752 146 E HN 0.302 nan 8.360 nan 0.000 0.447 147 V N 0.355 120.294 119.914 0.042 0.000 2.332 147 V HA -0.247 3.873 4.120 0.000 0.000 0.248 147 V C 2.188 178.358 176.094 0.128 0.000 1.055 147 V CA 1.382 63.748 62.300 0.109 0.000 1.038 147 V CB -0.425 31.428 31.823 0.051 0.000 0.651 147 V HN 0.134 nan 8.190 nan 0.000 0.450 148 V N -0.482 119.469 119.914 0.062 0.000 2.244 148 V HA -0.255 3.865 4.120 0.000 0.000 0.244 148 V C 2.671 178.873 176.094 0.179 0.000 1.042 148 V CA 2.350 64.714 62.300 0.106 0.000 1.006 148 V CB -0.775 31.077 31.823 0.049 0.000 0.641 148 V HN 0.632 nan 8.190 nan 0.000 0.446 149 S N 0.655 116.399 115.700 0.073 0.000 2.372 149 S HA -0.278 4.192 4.470 0.000 0.000 0.227 149 S C 1.815 176.446 174.600 0.051 0.000 1.044 149 S CA 2.189 60.415 58.200 0.045 0.000 1.050 149 S CB -0.586 62.597 63.200 -0.028 0.000 0.901 149 S HN 0.675 nan 8.310 nan 0.000 0.447 150 N N 1.067 119.756 118.700 -0.018 0.000 2.512 150 N HA 0.096 4.836 4.740 0.000 0.000 0.183 150 N C 1.626 176.852 175.510 -0.474 0.000 1.073 150 N CA 0.880 53.835 53.050 -0.157 0.000 0.911 150 N CB -0.359 38.069 38.487 -0.099 0.000 0.964 150 N HN 0.567 nan 8.380 nan 0.000 0.447 151 A N 0.105 122.732 122.820 -0.322 0.000 1.930 151 A HA 0.042 4.362 4.320 0.000 0.000 0.215 151 A C 1.803 179.211 177.584 -0.293 0.000 1.176 151 A CA 0.543 52.310 52.037 -0.449 0.000 0.632 151 A CB -0.540 18.473 19.000 0.021 0.000 0.819 151 A HN 0.096 nan 8.150 nan 0.000 0.445 152 F N 0.213 120.066 119.950 -0.162 0.000 2.186 152 F HA -0.088 4.439 4.527 0.000 0.000 0.299 152 F C 2.548 178.282 175.800 -0.110 0.000 1.090 152 F CA 1.158 59.099 58.000 -0.099 0.000 1.307 152 F CB -0.032 38.926 39.000 -0.070 0.000 1.019 152 F HN 0.057 nan 8.300 nan 0.000 0.489 153 R N 0.224 120.737 120.500 0.022 0.000 2.081 153 R HA -0.075 4.265 4.340 0.000 0.000 0.235 153 R C 2.365 178.614 176.300 -0.084 0.000 1.131 153 R CA 1.261 57.342 56.100 -0.031 0.000 0.960 153 R CB -1.446 28.817 30.300 -0.062 0.000 0.856 153 R HN 0.301 nan 8.270 nan 0.000 0.436 154 A N 0.966 123.663 122.820 -0.206 0.000 1.930 154 A HA -0.016 4.304 4.320 0.000 0.000 0.217 154 A C 2.351 179.890 177.584 -0.076 0.000 1.175 154 A CA 1.730 53.661 52.037 -0.177 0.000 0.627 154 A CB -0.472 18.318 19.000 -0.351 0.000 0.815 154 A HN 0.338 nan 8.150 nan 0.000 0.443 155 A N -0.055 122.708 122.820 -0.095 0.000 1.897 155 A HA -0.097 4.223 4.320 0.000 0.000 0.215 155 A C 1.903 179.481 177.584 -0.011 0.000 1.181 155 A CA 1.478 53.484 52.037 -0.052 0.000 0.620 155 A CB -0.412 18.514 19.000 -0.124 0.000 0.821 155 A HN 0.613 nan 8.150 nan 0.000 0.443 156 E N -0.171 120.032 120.200 0.005 0.000 2.230 156 E HA -0.027 4.323 4.350 0.000 0.000 0.192 156 E C 0.622 177.237 176.600 0.025 0.000 0.987 156 E CA 0.224 56.644 56.400 0.032 0.000 0.841 156 E CB 0.015 29.758 29.700 0.070 0.000 0.783 156 E HN 0.706 nan 8.360 nan 0.000 0.481 157 Q N -0.077 119.733 119.800 0.017 0.000 2.185 157 Q HA 0.382 4.723 4.340 0.000 0.000 0.225 157 Q C 0.823 176.839 176.000 0.027 0.000 0.983 157 Q CA -0.138 55.676 55.803 0.019 0.000 0.950 157 Q CB 1.120 29.866 28.738 0.013 0.000 1.176 157 Q HN 0.175 nan 8.270 nan 0.000 0.510 158 G N 1.002 109.820 108.800 0.030 0.000 2.634 158 G HA2 -0.329 3.631 3.960 0.000 0.000 0.309 158 G HA3 -0.329 3.631 3.960 0.000 0.000 0.309 158 G C -0.372 174.553 174.900 0.042 0.000 1.265 158 G CA -0.146 44.979 45.100 0.042 0.000 0.998 158 G HN 0.532 nan 8.290 nan 0.000 0.551 159 R N 1.926 122.463 120.500 0.062 0.000 2.220 159 R HA 0.316 4.656 4.340 0.000 0.000 0.340 159 R C -2.191 174.144 176.300 0.058 0.000 1.076 159 R CA -1.349 54.788 56.100 0.061 0.000 0.920 159 R CB 0.837 31.195 30.300 0.097 0.000 1.062 159 R HN 0.237 nan 8.270 nan 0.000 0.469 160 P HA 0.000 nan 4.420 nan 0.000 0.267 160 P C 0.067 177.397 177.300 0.050 0.000 1.195 160 P CA 0.248 63.370 63.100 0.038 0.000 0.773 160 P CB 0.737 32.455 31.700 0.029 0.000 0.837 161 G N -0.293 108.536 108.800 0.048 0.000 2.489 161 G HA2 0.495 4.455 3.960 0.000 0.000 0.305 161 G HA3 0.495 4.455 3.960 0.000 0.000 0.305 161 G C -1.216 173.721 174.900 0.061 0.000 1.311 161 G CA -0.448 44.690 45.100 0.064 0.000 0.813 161 G HN 0.535 nan 8.290 nan 0.000 0.480 162 S N -1.115 114.636 115.700 0.084 0.000 2.616 162 S HA 0.840 5.310 4.470 0.000 0.000 0.277 162 S C -0.038 174.630 174.600 0.114 0.000 1.234 162 S CA 0.180 58.434 58.200 0.089 0.000 1.028 162 S CB 1.772 65.044 63.200 0.121 0.000 0.988 162 S HN 2.067 nan 8.310 nan 0.000 0.522 163 A N 1.708 124.586 122.820 0.097 0.000 2.398 163 A HA 0.730 5.050 4.320 0.000 0.000 0.301 163 A C -1.307 176.366 177.584 0.147 0.000 1.041 163 A CA -0.659 51.476 52.037 0.164 0.000 0.711 163 A CB 0.933 20.001 19.000 0.113 0.000 1.240 163 A HN 0.910 nan 8.150 nan 0.000 0.420 164 F N 2.820 122.749 119.950 -0.034 0.000 2.495 164 F HA 0.697 5.224 4.527 0.000 0.000 0.327 164 F C -0.987 174.685 175.800 -0.214 0.000 1.103 164 F CA -0.808 57.053 58.000 -0.232 0.000 0.949 164 F CB 2.002 40.709 39.000 -0.489 0.000 1.142 164 F HN 0.340 nan 8.300 nan 0.000 0.457 165 V N 4.917 124.159 119.914 -1.119 0.000 2.482 165 V HA 0.322 4.442 4.120 0.000 0.000 0.295 165 V C -0.467 174.947 176.094 -1.133 0.000 1.026 165 V CA -0.818 60.964 62.300 -0.863 0.000 0.856 165 V CB 1.432 33.026 31.823 -0.380 0.000 1.001 165 V HN 0.821 nan 8.190 nan 0.000 0.424 166 S N 6.024 121.189 115.700 -0.892 0.000 2.465 166 S HA 0.631 5.101 4.470 0.000 0.000 0.279 166 S C -0.520 173.921 174.600 -0.266 0.000 1.201 166 S CA -0.450 57.441 58.200 -0.514 0.000 1.053 166 S CB 0.142 63.227 63.200 -0.192 0.000 0.953 166 S HN 0.580 nan 8.310 nan 0.000 0.488 167 L N 7.284 128.395 121.223 -0.188 0.000 2.301 167 L HA 0.406 4.746 4.340 0.000 0.000 0.278 167 L C -2.341 174.495 176.870 -0.056 0.000 1.022 167 L CA -2.223 52.549 54.840 -0.114 0.000 0.854 167 L CB 1.397 43.393 42.059 -0.105 0.000 1.226 167 L HN 0.444 nan 8.230 nan 0.000 0.429 168 P HA -0.031 nan 4.420 nan 0.000 0.268 168 P C 0.433 177.729 177.300 -0.006 0.000 1.204 168 P CA 0.012 63.102 63.100 -0.015 0.000 0.768 168 P CB 0.741 32.433 31.700 -0.013 0.000 0.842 169 Q N 3.322 123.126 119.800 0.006 0.000 2.133 169 Q HA -0.287 4.053 4.340 0.000 0.000 0.208 169 Q C 1.316 177.327 176.000 0.020 0.000 0.991 169 Q CA 2.213 58.025 55.803 0.015 0.000 0.867 169 Q CB -0.238 28.512 28.738 0.019 0.000 0.911 169 Q HN 0.540 nan 8.270 nan 0.000 0.417 170 D N -0.812 119.598 120.400 0.017 0.000 2.219 170 D HA -0.127 4.513 4.640 0.000 0.000 0.205 170 D C 1.805 178.119 176.300 0.023 0.000 0.970 170 D CA 1.074 55.088 54.000 0.023 0.000 0.851 170 D CB -0.266 40.544 40.800 0.017 0.000 0.943 170 D HN 0.262 nan 8.370 nan 0.000 0.488 171 V N 1.437 121.357 119.914 0.010 0.000 2.379 171 V HA -0.188 3.932 4.120 0.000 0.000 0.245 171 V C 2.921 179.020 176.094 0.009 0.000 1.044 171 V CA 1.589 63.891 62.300 0.002 0.000 1.036 171 V CB -0.222 31.590 31.823 -0.018 0.000 0.664 171 V HN 0.311 nan 8.190 nan 0.000 0.453 172 V N -2.033 117.887 119.914 0.009 0.000 2.719 172 V HA -0.061 4.059 4.120 0.000 0.000 0.252 172 V C 1.827 177.964 176.094 0.071 0.000 1.065 172 V CA 1.846 64.155 62.300 0.016 0.000 1.086 172 V CB -0.631 31.189 31.823 -0.004 0.000 0.700 172 V HN 0.427 nan 8.190 nan 0.000 0.467 173 D N 1.474 121.925 120.400 0.085 0.000 2.271 173 D HA 0.185 4.825 4.640 0.000 0.000 0.206 173 D C 1.374 177.808 176.300 0.224 0.000 0.967 173 D CA 1.197 55.293 54.000 0.159 0.000 0.867 173 D CB -0.108 40.754 40.800 0.103 0.000 0.960 173 D HN 0.606 nan 8.370 nan 0.000 0.509 174 G N 1.552 110.418 108.800 0.110 0.000 2.537 174 G HA2 0.385 4.345 3.960 0.000 0.000 0.273 174 G HA3 0.385 4.345 3.960 0.000 0.000 0.273 174 G C -2.462 172.459 174.900 0.034 0.000 1.189 174 G CA -0.912 44.224 45.100 0.060 0.000 0.881 174 G HN -0.072 nan 8.290 nan 0.000 0.535 175 P HA 0.362 nan 4.420 nan 0.000 0.276 175 P C -0.341 176.989 177.300 0.051 0.000 1.244 175 P CA -0.156 62.945 63.100 0.002 0.000 0.801 175 P CB 1.628 33.307 31.700 -0.035 0.000 1.006 176 V N -1.729 118.253 119.914 0.114 0.000 3.188 176 V HA 0.780 4.900 4.120 0.000 0.000 0.305 176 V C -0.576 175.657 176.094 0.233 0.000 1.232 176 V CA -1.016 61.356 62.300 0.120 0.000 1.043 176 V CB 1.540 33.400 31.823 0.062 0.000 1.068 176 V HN 0.731 nan 8.190 nan 0.000 0.439 177 S N 0.594 116.404 115.700 0.182 0.000 2.578 177 S HA 1.055 5.525 4.470 0.000 0.000 0.301 177 S C 0.027 174.767 174.600 0.234 0.000 1.091 177 S CA -0.005 58.324 58.200 0.215 0.000 1.032 177 S CB 1.262 64.523 63.200 0.101 0.000 1.064 177 S HN 2.801 nan 8.310 nan 0.000 0.508 178 G N 1.032 110.019 108.800 0.312 0.000 2.352 178 G HA2 0.410 4.370 3.960 0.000 0.000 0.302 178 G HA3 0.410 4.370 3.960 0.000 0.000 0.302 178 G C -1.926 173.198 174.900 0.373 0.000 1.370 178 G CA -0.716 44.527 45.100 0.239 0.000 0.918 178 G HN 1.014 nan 8.290 nan 0.000 0.610 179 K N -1.010 119.509 120.400 0.197 0.000 2.328 179 K HA 0.814 5.134 4.320 0.000 0.000 0.246 179 K C -0.136 176.479 176.600 0.024 0.000 0.955 179 K CA -0.972 55.428 56.287 0.188 0.000 0.817 179 K CB 2.670 35.250 32.500 0.134 0.000 1.208 179 K HN 1.330 nan 8.250 nan 0.000 0.432 180 V N 3.272 123.135 119.914 -0.084 0.000 2.686 180 V HA 0.300 4.420 4.120 0.000 0.000 0.295 180 V C -0.689 175.223 176.094 -0.303 0.000 1.055 180 V CA -0.429 61.677 62.300 -0.325 0.000 1.050 180 V CB 0.228 31.693 31.823 -0.597 0.000 0.984 180 V HN 0.696 nan 8.190 nan 0.000 0.482 181 L N 8.234 129.327 121.223 -0.216 0.000 2.295 181 L HA 0.522 4.862 4.340 0.000 0.000 0.285 181 L C -2.071 174.765 176.870 -0.057 0.000 1.035 181 L CA -1.943 52.847 54.840 -0.084 0.000 0.806 181 L CB 1.648 43.673 42.059 -0.055 0.000 1.214 181 L HN 0.544 nan 8.230 nan 0.000 0.426 182 P HA 0.043 nan 4.420 nan 0.000 0.266 182 P C -0.261 177.061 177.300 0.036 0.000 1.195 182 P CA -0.187 63.006 63.100 0.155 0.000 0.768 182 P CB 0.963 32.770 31.700 0.179 0.000 0.838 188 Q N 1.641 121.445 119.800 0.007 0.000 2.465 188 Q HA 0.476 4.816 4.340 0.000 0.000 0.237 188 Q C 0.088 176.093 176.000 0.007 0.000 1.288 188 Q CA 0.631 56.437 55.803 0.006 0.000 0.888 188 Q CB -0.956 27.785 28.738 0.005 0.000 1.570 188 Q HN 0.511 nan 8.270 nan 0.000 0.532 189 M N 1.798 121.403 119.600 0.007 0.000 2.456 189 M HA 0.759 5.239 4.480 0.000 0.000 0.324 189 M C 0.226 176.530 176.300 0.007 0.000 1.124 189 M CA -0.601 54.705 55.300 0.009 0.000 0.959 189 M CB 2.067 34.674 32.600 0.012 0.000 1.692 189 M HN 0.561 nan 8.290 nan 0.000 0.444 190 G N 1.864 110.669 108.800 0.008 0.000 2.511 190 G HA2 0.703 4.663 3.960 0.000 0.000 0.316 190 G HA3 0.703 4.663 3.960 0.000 0.000 0.316 190 G C -0.525 174.378 174.900 0.007 0.000 1.210 190 G CA -0.595 44.509 45.100 0.006 0.000 0.969 190 G HN 1.013 nan 8.290 nan 0.000 0.492 191 A N -0.376 122.447 122.820 0.004 0.000 2.433 191 A HA 0.568 4.888 4.320 0.000 0.000 0.250 191 A C 1.230 178.820 177.584 0.010 0.000 1.113 191 A CA 0.590 52.630 52.037 0.005 0.000 0.794 191 A CB -0.436 18.565 19.000 0.002 0.000 1.067 191 A HN 1.904 nan 8.150 nan 0.000 0.510 192 A N 0.618 123.446 122.820 0.013 0.000 2.386 192 A HA 0.528 4.848 4.320 0.000 0.000 0.246 192 A C -1.998 175.597 177.584 0.018 0.000 1.089 192 A CA -0.946 51.103 52.037 0.020 0.000 0.790 192 A CB -0.662 18.353 19.000 0.025 0.000 1.042 192 A HN 0.703 nan 8.150 nan 0.000 0.497 193 P HA 0.017 nan 4.420 nan 0.000 0.261 193 P C -0.488 176.821 177.300 0.015 0.000 1.203 193 P CA 0.313 63.423 63.100 0.017 0.000 0.767 193 P CB 0.417 32.128 31.700 0.018 0.000 0.785 194 D N 2.313 122.721 120.400 0.012 0.000 2.170 194 D HA -0.230 4.411 4.640 0.000 0.000 0.193 194 D C 1.418 177.725 176.300 0.012 0.000 1.004 194 D CA 1.577 55.584 54.000 0.011 0.000 0.860 194 D CB -0.170 40.635 40.800 0.009 0.000 0.931 194 D HN 0.461 nan 8.370 nan 0.000 0.448 195 D N -0.237 120.170 120.400 0.012 0.000 2.116 195 D HA -0.173 4.467 4.640 0.000 0.000 0.193 195 D C 2.015 178.323 176.300 0.014 0.000 0.998 195 D CA 1.488 55.495 54.000 0.012 0.000 0.836 195 D CB -0.203 40.604 40.800 0.011 0.000 0.951 195 D HN 0.254 nan 8.370 nan 0.000 0.449 196 A N 0.814 123.645 122.820 0.017 0.000 1.968 196 A HA -0.080 4.240 4.320 0.000 0.000 0.217 196 A C 2.349 179.946 177.584 0.023 0.000 1.169 196 A CA 0.513 52.563 52.037 0.021 0.000 0.638 196 A CB -0.548 18.467 19.000 0.025 0.000 0.812 196 A HN 0.173 nan 8.150 nan 0.000 0.446 197 I N 0.026 120.609 120.570 0.021 0.000 2.361 197 I HA -0.231 3.939 4.170 0.000 0.000 0.251 197 I C 1.634 177.762 176.117 0.019 0.000 1.133 197 I CA 1.341 62.654 61.300 0.022 0.000 1.413 197 I CB -0.387 37.624 38.000 0.018 0.000 1.073 197 I HN 0.299 nan 8.210 nan 0.000 0.424 198 D N 0.311 120.720 120.400 0.015 0.000 2.123 198 D HA -0.218 4.422 4.640 0.000 0.000 0.200 198 D C 2.041 178.348 176.300 0.012 0.000 0.976 198 D CA 0.985 54.992 54.000 0.011 0.000 0.831 198 D CB -0.314 40.492 40.800 0.009 0.000 0.974 198 D HN 0.425 nan 8.370 nan 0.000 0.469 199 Q N 0.949 120.757 119.800 0.014 0.000 2.152 199 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 199 Q C 1.987 177.997 176.000 0.016 0.000 0.985 199 Q CA 1.279 57.091 55.803 0.014 0.000 0.863 199 Q CB 0.181 28.929 28.738 0.016 0.000 0.904 199 Q HN 0.083 nan 8.270 nan 0.000 0.422 200 V N 0.588 120.515 119.914 0.021 0.000 2.407 200 V HA -0.138 3.982 4.120 0.000 0.000 0.245 200 V C 2.356 178.461 176.094 0.018 0.000 1.041 200 V CA 1.432 63.747 62.300 0.025 0.000 1.040 200 V CB -0.837 31.009 31.823 0.039 0.000 0.671 200 V HN 0.508 nan 8.190 nan 0.000 0.455 201 A N -0.151 122.678 122.820 0.016 0.000 1.978 201 A HA -0.195 4.125 4.320 0.000 0.000 0.220 201 A C 2.262 179.844 177.584 -0.003 0.000 1.170 201 A CA 1.550 53.590 52.037 0.006 0.000 0.636 201 A CB -0.352 18.649 19.000 0.003 0.000 0.810 201 A HN 0.394 nan 8.150 nan 0.000 0.448 202 K N -0.008 120.394 120.400 0.004 0.000 2.057 202 K HA 0.009 4.329 4.320 0.000 0.000 0.206 202 K C 1.858 178.462 176.600 0.007 0.000 1.050 202 K CA 1.072 57.362 56.287 0.006 0.000 0.935 202 K CB -0.753 31.752 32.500 0.009 0.000 0.715 202 K HN 0.571 nan 8.250 nan 0.000 0.439 203 L N 0.640 121.867 121.223 0.006 0.000 2.131 203 L HA -0.118 4.222 4.340 0.000 0.000 0.210 203 L C 2.359 179.227 176.870 -0.003 0.000 1.092 203 L CA 0.935 55.778 54.840 0.004 0.000 0.759 203 L CB -0.461 41.601 42.059 0.004 0.000 0.903 203 L HN 0.082 nan 8.230 nan 0.000 0.435 204 I N -0.059 120.505 120.570 -0.010 0.000 2.439 204 I HA -0.203 3.967 4.170 0.000 0.000 0.251 204 I C 2.671 178.786 176.117 -0.003 0.000 1.139 204 I CA 0.948 62.233 61.300 -0.024 0.000 1.438 204 I CB -0.347 37.634 38.000 -0.031 0.000 1.085 204 I HN 0.177 nan 8.210 nan 0.000 0.427 205 A N -0.038 122.784 122.820 0.004 0.000 2.067 205 A HA -0.135 4.185 4.320 0.000 0.000 0.217 205 A C 2.119 179.756 177.584 0.089 0.000 1.156 205 A CA 1.018 53.088 52.037 0.055 0.000 0.683 205 A CB -0.266 18.757 19.000 0.039 0.000 0.808 205 A HN 0.466 nan 8.150 nan 0.000 0.455 206 Q N -0.606 119.221 119.800 0.045 0.000 2.356 206 Q HA 0.347 4.687 4.340 0.000 0.000 0.205 206 Q C 0.620 176.635 176.000 0.026 0.000 0.901 206 Q CA 0.143 55.967 55.803 0.035 0.000 0.938 206 Q CB 0.185 28.936 28.738 0.021 0.000 1.081 206 Q HN 0.581 nan 8.270 nan 0.000 0.517 207 A N 1.036 123.870 122.820 0.022 0.000 2.401 207 A HA 0.119 4.439 4.320 0.000 0.000 0.259 207 A C 0.494 178.087 177.584 0.015 0.000 1.103 207 A CA -0.107 51.934 52.037 0.008 0.000 0.789 207 A CB 0.507 19.497 19.000 -0.016 0.000 1.035 207 A HN 0.153 nan 8.150 nan 0.000 0.491 208 K N 0.983 121.386 120.400 0.005 0.000 2.276 208 K HA 0.049 4.369 4.320 0.000 0.000 0.198 208 K C -0.088 176.511 176.600 -0.001 0.000 1.052 208 K CA 0.859 57.148 56.287 0.004 0.000 0.984 208 K CB 0.232 32.733 32.500 0.001 0.000 0.836 208 K HN 0.776 nan 8.250 nan 0.000 0.490 209 N N 1.880 120.575 118.700 -0.008 0.000 2.791 209 N HA 0.161 4.901 4.740 0.000 0.000 0.265 209 N C -2.872 172.618 175.510 -0.034 0.000 1.580 209 N CA -1.171 51.871 53.050 -0.014 0.000 0.809 209 N CB 1.719 40.202 38.487 -0.007 0.000 1.178 209 N HN 0.006 nan 8.380 nan 0.000 0.499 210 P HA 0.336 nan 4.420 nan 0.000 0.284 210 P C -0.857 176.343 177.300 -0.166 0.000 1.253 210 P CA -0.414 62.608 63.100 -0.129 0.000 0.800 210 P CB 1.953 33.559 31.700 -0.157 0.000 0.961 211 I N 2.225 122.660 120.570 -0.227 0.000 2.752 211 I HA 0.462 4.632 4.170 0.000 0.000 0.295 211 I C -1.745 174.219 176.117 -0.256 0.000 1.219 211 I CA -1.269 59.919 61.300 -0.187 0.000 1.030 211 I CB 1.642 39.593 38.000 -0.081 0.000 1.259 211 I HN 0.130 nan 8.210 nan 0.000 0.423 212 F N 7.079 127.009 119.950 -0.034 0.000 2.420 212 F HA 0.589 5.116 4.527 0.000 0.000 0.342 212 F C -0.537 175.182 175.800 -0.135 0.000 1.113 212 F CA -0.767 57.190 58.000 -0.071 0.000 1.059 212 F CB 1.705 40.667 39.000 -0.063 0.000 1.128 212 F HN 0.319 nan 8.300 nan 0.000 0.475 213 L N 5.983 127.209 121.223 0.006 0.000 2.294 213 L HA 0.505 4.845 4.340 0.000 0.000 0.283 213 L C -1.175 175.615 176.870 -0.133 0.000 1.015 213 L CA -0.398 54.314 54.840 -0.212 0.000 0.831 213 L CB 0.671 42.391 42.059 -0.565 0.000 1.217 213 L HN 0.459 nan 8.230 nan 0.000 0.420 214 L N 5.099 126.272 121.223 -0.084 0.000 2.292 214 L HA 0.728 5.068 4.340 0.000 0.000 0.284 214 L C 0.843 177.723 176.870 0.017 0.000 1.065 214 L CA -0.330 54.486 54.840 -0.040 0.000 0.806 214 L CB 1.157 43.184 42.059 -0.053 0.000 1.175 214 L HN 0.752 nan 8.230 nan 0.000 0.431 215 G N 1.026 109.871 108.800 0.076 0.000 3.016 215 G HA2 0.386 4.346 3.960 0.000 0.000 0.270 215 G HA3 0.386 4.346 3.960 0.000 0.000 0.270 215 G C 0.392 175.321 174.900 0.048 0.000 1.352 215 G CA -0.721 44.462 45.100 0.138 0.000 1.060 215 G HN 0.516 nan 8.290 nan 0.000 0.538 216 L N -0.161 121.086 121.223 0.040 0.000 1.991 216 L HA -0.171 4.169 4.340 0.000 0.000 0.221 216 L C 2.610 179.476 176.870 -0.007 0.000 1.079 216 L CA 2.341 57.188 54.840 0.012 0.000 0.778 216 L CB -0.445 41.622 42.059 0.013 0.000 0.893 216 L HN 0.380 nan 8.230 nan 0.000 0.437 217 M N -0.555 119.039 119.600 -0.010 0.000 2.358 217 M HA -0.066 4.414 4.480 0.000 0.000 0.264 217 M C 2.306 178.583 176.300 -0.038 0.000 1.064 217 M CA 1.492 56.779 55.300 -0.023 0.000 1.093 217 M CB -2.015 30.569 32.600 -0.027 0.000 1.401 217 M HN 0.503 nan 8.290 nan 0.000 0.440 218 A N 0.087 122.881 122.820 -0.042 0.000 2.119 218 A HA -0.031 4.289 4.320 0.000 0.000 0.217 218 A C 2.202 179.740 177.584 -0.075 0.000 1.153 218 A CA 1.554 53.549 52.037 -0.070 0.000 0.692 218 A CB -0.647 18.306 19.000 -0.078 0.000 0.799 218 A HN 0.586 nan 8.150 nan 0.000 0.458 219 S N -0.782 114.884 115.700 -0.057 0.000 2.575 219 S HA 0.125 4.595 4.470 0.000 0.000 0.215 219 S C 0.447 175.014 174.600 -0.055 0.000 0.966 219 S CA -0.418 57.745 58.200 -0.061 0.000 0.911 219 S CB -0.053 63.117 63.200 -0.051 0.000 0.780 219 S HN 0.439 nan 8.310 nan 0.000 0.514 220 Q N 2.573 122.344 119.800 -0.048 0.000 2.332 220 Q HA 0.243 4.584 4.340 0.000 0.000 0.263 220 Q C -1.548 174.425 176.000 -0.044 0.000 0.979 220 Q CA -2.150 53.629 55.803 -0.040 0.000 0.885 220 Q CB 0.747 29.466 28.738 -0.031 0.000 1.218 220 Q HN 0.198 nan 8.270 nan 0.000 0.405 221 P HA -0.196 nan 4.420 nan 0.000 0.216 221 P C 0.086 177.364 177.300 -0.036 0.000 1.150 221 P CA 1.390 64.468 63.100 -0.038 0.000 0.837 221 P CB 0.411 32.093 31.700 -0.029 0.000 0.786 222 E N -0.124 120.058 120.200 -0.031 0.000 2.401 222 E HA -0.107 4.243 4.350 0.000 0.000 0.199 222 E C 1.299 177.876 176.600 -0.037 0.000 1.023 222 E CA 0.778 57.161 56.400 -0.028 0.000 0.859 222 E CB -0.763 28.924 29.700 -0.021 0.000 0.780 222 E HN 0.397 nan 8.360 nan 0.000 0.523 223 N N -0.679 117.992 118.700 -0.048 0.000 2.184 223 N HA 0.074 4.814 4.740 0.000 0.000 0.206 223 N C 1.091 176.555 175.510 -0.077 0.000 1.151 223 N CA 0.269 53.282 53.050 -0.062 0.000 0.878 223 N CB 0.534 38.980 38.487 -0.068 0.000 1.014 223 N HN 0.018 nan 8.380 nan 0.000 0.512 224 S N 2.124 117.782 115.700 -0.069 0.000 2.398 224 S HA -0.163 4.307 4.470 0.000 0.000 0.220 224 S C 1.795 176.348 174.600 -0.078 0.000 1.038 224 S CA 1.406 59.559 58.200 -0.077 0.000 1.080 224 S CB 0.021 63.185 63.200 -0.061 0.000 1.039 224 S HN 0.209 nan 8.310 nan 0.000 0.419 225 K N 0.804 121.169 120.400 -0.058 0.000 2.034 225 K HA -0.170 4.150 4.320 0.000 0.000 0.214 225 K C 2.411 178.975 176.600 -0.060 0.000 1.051 225 K CA 1.504 57.761 56.287 -0.051 0.000 0.931 225 K CB -0.572 31.906 32.500 -0.036 0.000 0.715 225 K HN 0.485 nan 8.250 nan 0.000 0.446 226 A N 1.245 124.027 122.820 -0.063 0.000 1.933 226 A HA -0.162 4.158 4.320 0.000 0.000 0.218 226 A C 2.081 179.601 177.584 -0.106 0.000 1.175 226 A CA 1.215 53.210 52.037 -0.070 0.000 0.628 226 A CB -0.464 18.497 19.000 -0.064 0.000 0.814 226 A HN 0.255 nan 8.150 nan 0.000 0.444 227 L N -0.048 121.096 121.223 -0.132 0.000 2.005 227 L HA -0.090 4.250 4.340 0.000 0.000 0.207 227 L C 2.867 179.613 176.870 -0.207 0.000 1.072 227 L CA 2.844 57.564 54.840 -0.200 0.000 0.744 227 L CB -1.149 40.786 42.059 -0.206 0.000 0.895 227 L HN 0.430 nan 8.230 nan 0.000 0.433 228 R N 0.157 120.566 120.500 -0.153 0.000 2.083 228 R HA -0.179 4.161 4.340 0.000 0.000 0.237 228 R C 2.461 178.720 176.300 -0.068 0.000 1.137 228 R CA 1.937 57.965 56.100 -0.120 0.000 0.951 228 R CB -1.562 28.692 30.300 -0.075 0.000 0.851 228 R HN 0.604 nan 8.270 nan 0.000 0.434 229 R N -0.154 120.314 120.500 -0.054 0.000 2.105 229 R HA -0.090 4.250 4.340 0.000 0.000 0.239 229 R C 2.319 178.609 176.300 -0.017 0.000 1.135 229 R CA 1.888 57.975 56.100 -0.022 0.000 0.967 229 R CB -0.428 29.857 30.300 -0.025 0.000 0.861 229 R HN 0.426 nan 8.270 nan 0.000 0.442 230 L N 0.800 121.984 121.223 -0.065 0.000 2.109 230 L HA -0.057 4.283 4.340 0.000 0.000 0.207 230 L C 1.906 178.766 176.870 -0.016 0.000 1.086 230 L CA 1.491 56.294 54.840 -0.060 0.000 0.760 230 L CB -0.145 41.819 42.059 -0.158 0.000 0.910 230 L HN 0.200 nan 8.230 nan 0.000 0.437 231 L N -0.970 120.201 121.223 -0.085 0.000 2.131 231 L HA -0.094 4.246 4.340 0.000 0.000 0.206 231 L C 2.417 179.472 176.870 0.309 0.000 1.087 231 L CA 1.000 55.835 54.840 -0.009 0.000 0.767 231 L CB -0.546 41.258 42.059 -0.425 0.000 0.917 231 L HN 0.294 nan 8.230 nan 0.000 0.441 232 E N -0.755 119.585 120.200 0.233 0.000 2.204 232 E HA -0.200 4.150 4.350 0.000 0.000 0.194 232 E C 2.077 178.833 176.600 0.261 0.000 0.989 232 E CA 1.570 58.175 56.400 0.342 0.000 0.824 232 E CB -0.046 29.767 29.700 0.188 0.000 0.756 232 E HN 0.327 nan 8.360 nan 0.000 0.477 233 T N -0.224 114.424 114.554 0.158 0.000 2.978 233 T HA -0.055 4.295 4.350 0.000 0.000 0.262 233 T C 2.020 176.773 174.700 0.088 0.000 1.063 233 T CA 1.406 63.551 62.100 0.075 0.000 1.140 233 T CB 0.089 68.984 68.868 0.046 0.000 0.886 233 T HN 0.227 nan 8.240 nan 0.000 0.470 234 S N -1.108 114.712 115.700 0.200 0.000 2.499 234 S HA 0.120 4.590 4.470 0.000 0.000 0.225 234 S C 0.840 175.650 174.600 0.350 0.000 1.050 234 S CA 0.619 58.952 58.200 0.222 0.000 0.928 234 S CB -0.373 62.989 63.200 0.269 0.000 0.803 234 S HN 0.580 nan 8.310 nan 0.000 0.506 235 H N 0.642 119.885 119.070 0.288 0.000 2.861 235 H HA -0.086 4.470 4.556 0.000 0.000 0.289 235 H C -0.442 175.078 175.328 0.320 0.000 1.176 235 H CA 0.662 56.894 56.048 0.307 0.000 1.146 235 H CB -2.384 27.449 29.762 0.119 0.000 1.330 235 H HN 0.560 nan 8.280 nan 0.000 0.379 236 I N 2.278 123.146 120.570 0.496 0.000 2.529 236 I HA 0.109 4.279 4.170 0.000 0.000 0.284 236 I C -1.434 174.968 176.117 0.475 0.000 1.082 236 I CA -1.646 59.849 61.300 0.325 0.000 1.406 236 I CB 0.827 38.894 38.000 0.112 0.000 1.405 236 I HN -0.048 nan 8.210 nan 0.000 0.548 237 P HA 0.019 nan 4.420 nan 0.000 0.267 237 P C -0.827 176.699 177.300 0.377 0.000 1.201 237 P CA 0.084 63.380 63.100 0.328 0.000 0.775 237 P CB 0.901 32.667 31.700 0.110 0.000 0.854 238 V N 1.161 121.312 119.914 0.395 0.000 2.841 238 V HA 0.571 4.691 4.120 0.000 0.000 0.310 238 V C 0.168 176.325 176.094 0.105 0.000 1.090 238 V CA -0.350 62.110 62.300 0.268 0.000 0.930 238 V CB 2.181 34.125 31.823 0.203 0.000 1.014 238 V HN 0.706 nan 8.190 nan 0.000 0.425 239 T N 2.225 116.784 114.554 0.008 0.000 2.903 239 T HA 0.728 5.078 4.350 0.000 0.000 0.299 239 T C -0.925 173.731 174.700 -0.073 0.000 1.093 239 T CA -0.235 61.776 62.100 -0.148 0.000 1.002 239 T CB 1.789 70.534 68.868 -0.206 0.000 1.127 239 T HN 0.737 nan 8.240 nan 0.000 0.488 240 S N 1.539 117.188 115.700 -0.084 0.000 2.570 240 S HA 0.672 5.142 4.470 0.000 0.000 0.286 240 S C -0.024 174.461 174.600 -0.193 0.000 1.099 240 S CA -0.926 57.230 58.200 -0.073 0.000 0.913 240 S CB 1.815 65.040 63.200 0.042 0.000 1.085 240 S HN 1.020 nan 8.310 nan 0.000 0.480 241 T N -0.397 114.082 114.554 -0.124 0.000 2.788 241 T HA 0.331 4.681 4.350 0.000 0.000 0.287 241 T C 0.513 175.124 174.700 -0.148 0.000 1.007 241 T CA -0.215 61.822 62.100 -0.106 0.000 1.005 241 T CB 0.024 68.955 68.868 0.105 0.000 1.012 241 T HN 0.504 nan 8.240 nan 0.000 0.530 242 Y N 0.053 120.353 120.300 0.000 0.000 2.497 242 Y HA 0.009 4.559 4.550 0.000 0.000 0.292 242 Y C 2.910 178.821 175.900 0.019 0.000 1.137 242 Y CA 0.804 58.915 58.100 0.018 0.000 1.285 242 Y CB -0.381 38.095 38.460 0.027 0.000 0.991 242 Y HN 0.668 nan 8.280 nan 0.000 0.556 243 Q N -0.943 118.933 119.800 0.127 0.000 2.435 243 Q HA 0.078 4.418 4.340 0.000 0.000 0.207 243 Q C 1.331 177.347 176.000 0.025 0.000 0.956 243 Q CA 0.750 56.597 55.803 0.073 0.000 0.917 243 Q CB 0.184 28.964 28.738 0.069 0.000 0.997 243 Q HN 0.398 nan 8.270 nan 0.000 0.497 244 A N -0.506 122.320 122.820 0.009 0.000 2.606 244 A HA 0.517 4.837 4.320 0.000 0.000 0.290 244 A C 1.490 179.051 177.584 -0.038 0.000 1.174 244 A CA 0.350 52.375 52.037 -0.020 0.000 0.958 244 A CB 0.151 19.141 19.000 -0.017 0.000 1.194 244 A HN 0.245 nan 8.150 nan 0.000 0.526 245 A N -0.040 122.760 122.820 -0.034 0.000 1.948 245 A HA -0.001 4.319 4.320 0.000 0.000 0.220 245 A C 2.093 179.652 177.584 -0.041 0.000 1.177 245 A CA 2.149 54.161 52.037 -0.042 0.000 0.636 245 A CB -0.747 18.261 19.000 0.014 0.000 0.815 245 A HN 0.924 nan 8.150 nan 0.000 0.449 246 G N -1.617 107.152 108.800 -0.052 0.000 2.777 246 G HA2 0.259 4.219 3.960 0.000 0.000 0.211 246 G HA3 0.259 4.219 3.960 0.000 0.000 0.211 246 G C 1.518 176.352 174.900 -0.110 0.000 1.149 246 G CA 0.994 46.050 45.100 -0.074 0.000 0.785 246 G HN 0.741 nan 8.290 nan 0.000 0.536 247 A N -0.277 122.477 122.820 -0.110 0.000 1.927 247 A HA 0.214 4.534 4.320 0.000 0.000 0.220 247 A C 0.928 178.395 177.584 -0.196 0.000 1.185 247 A CA 1.475 53.432 52.037 -0.133 0.000 0.639 247 A CB -0.163 18.768 19.000 -0.115 0.000 0.820 247 A HN 0.377 nan 8.150 nan 0.000 0.451 248 V N -1.286 118.459 119.914 -0.282 0.000 2.971 248 V HA 0.498 4.618 4.120 0.000 0.000 0.309 248 V C -0.869 174.742 176.094 -0.804 0.000 1.130 248 V CA -0.794 61.239 62.300 -0.445 0.000 0.964 248 V CB 2.014 33.579 31.823 -0.430 0.000 1.029 248 V HN 0.526 nan 8.190 nan 0.000 0.427 249 N N 0.709 118.995 118.700 -0.691 0.000 2.509 249 N HA 0.399 5.139 4.740 0.000 0.000 0.280 249 N C 0.501 175.750 175.510 -0.435 0.000 1.306 249 N CA -0.590 52.050 53.050 -0.683 0.000 0.782 249 N CB 2.117 40.460 38.487 -0.239 0.000 1.493 249 N HN 0.592 nan 8.380 nan 0.000 0.498 250 Q N 0.142 119.893 119.800 -0.082 0.000 2.112 250 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 250 Q C 0.405 176.457 176.000 0.086 0.000 0.987 250 Q CA 2.118 58.026 55.803 0.175 0.000 0.858 250 Q CB -0.181 28.707 28.738 0.249 0.000 0.905 250 Q HN 0.656 nan 8.270 nan 0.000 0.420 251 D N -0.326 120.101 120.400 0.046 0.000 2.117 251 D HA -0.148 4.492 4.640 0.000 0.000 0.197 251 D C 1.351 177.668 176.300 0.029 0.000 0.987 251 D CA 1.638 55.659 54.000 0.035 0.000 0.829 251 D CB -0.490 40.328 40.800 0.030 0.000 0.961 251 D HN 0.610 nan 8.370 nan 0.000 0.460 252 N N -0.655 118.057 118.700 0.021 0.000 2.463 252 N HA -0.074 4.666 4.740 0.000 0.000 0.181 252 N C -0.283 175.320 175.510 0.155 0.000 1.078 252 N CA 0.183 53.262 53.050 0.049 0.000 0.902 252 N CB -0.023 38.467 38.487 0.006 0.000 0.970 252 N HN 0.020 nan 8.380 nan 0.000 0.451 253 F N 0.981 120.889 119.950 -0.069 0.000 3.034 253 F HA 0.323 4.850 4.527 0.000 0.000 0.371 253 F C 0.870 176.673 175.800 0.005 0.000 1.233 253 F CA -1.441 56.527 58.000 -0.053 0.000 1.134 253 F CB 0.834 39.812 39.000 -0.037 0.000 1.495 253 F HN 0.072 nan 8.300 nan 0.000 0.563 254 S N 3.057 118.580 115.700 -0.296 0.000 2.440 254 S HA -0.131 4.339 4.470 0.000 0.000 0.238 254 S C 1.415 175.855 174.600 -0.267 0.000 1.010 254 S CA 0.875 58.941 58.200 -0.223 0.000 0.972 254 S CB -0.272 62.795 63.200 -0.221 0.000 0.774 254 S HN 0.731 nan 8.310 nan 0.000 0.501 255 R N 0.050 120.199 120.500 -0.584 0.000 2.480 255 R HA 0.329 4.670 4.340 0.000 0.000 0.277 255 R C -0.508 175.853 176.300 0.101 0.000 1.008 255 R CA -0.456 55.434 56.100 -0.350 0.000 1.090 255 R CB -0.130 29.858 30.300 -0.520 0.000 1.234 255 R HN 0.425 nan 8.270 nan 0.000 0.549 256 F N 0.783 120.798 119.950 0.109 0.000 2.484 256 F HA 0.183 4.710 4.527 0.000 0.000 0.360 256 F C 0.817 176.655 175.800 0.064 0.000 1.101 256 F CA -0.867 57.264 58.000 0.218 0.000 1.251 256 F CB 0.935 40.042 39.000 0.179 0.000 1.132 256 F HN -0.041 nan 8.300 nan 0.000 0.570 257 A N 4.463 126.922 122.820 -0.602 0.000 2.503 257 A HA 0.595 4.915 4.320 0.000 0.000 0.263 257 A C 0.845 177.983 177.584 -0.742 0.000 1.258 257 A CA 0.299 52.024 52.037 -0.520 0.000 0.936 257 A CB -1.152 17.687 19.000 -0.267 0.000 1.070 257 A HN 1.778 nan 8.150 nan 0.000 0.522 258 G N -0.493 107.376 108.800 -1.553 0.000 2.728 258 G HA2 -0.042 3.918 3.960 0.000 0.000 0.294 258 G HA3 -0.042 3.918 3.960 0.000 0.000 0.294 258 G C -0.675 173.897 174.900 -0.546 0.000 1.342 258 G CA -0.772 43.784 45.100 -0.907 0.000 0.866 258 G HN 0.534 nan 8.290 nan 0.000 0.534 259 R N -0.745 119.605 120.500 -0.250 0.000 2.349 259 R HA 0.624 4.964 4.340 0.000 0.000 0.299 259 R C 0.598 176.700 176.300 -0.330 0.000 1.027 259 R CA 0.110 55.984 56.100 -0.378 0.000 0.958 259 R CB 1.440 31.311 30.300 -0.715 0.000 1.047 259 R HN 1.292 nan 8.270 nan 0.000 0.468 260 V N 0.278 119.947 119.914 -0.409 0.000 2.667 260 V HA 0.937 5.057 4.120 0.000 0.000 0.308 260 V C 0.854 176.544 176.094 -0.673 0.000 1.048 260 V CA 0.031 62.072 62.300 -0.432 0.000 0.928 260 V CB 1.540 33.088 31.823 -0.459 0.000 1.004 260 V HN 0.831 nan 8.190 nan 0.000 0.444 261 G N 1.754 110.199 108.800 -0.592 0.000 2.624 261 G HA2 -0.153 3.807 3.960 0.000 0.000 0.190 261 G HA3 -0.153 3.807 3.960 0.000 0.000 0.190 261 G C 0.102 175.083 174.900 0.134 0.000 1.008 261 G CA 0.437 45.321 45.100 -0.361 0.000 0.731 261 G HN 0.954 nan 8.290 nan 0.000 0.478 262 L N 0.016 121.264 121.223 0.042 0.000 2.519 262 L HA 0.696 5.036 4.340 0.000 0.000 0.194 262 L C 0.376 176.870 176.870 -0.627 0.000 1.072 262 L CA 0.461 55.096 54.840 -0.343 0.000 0.845 262 L CB -0.023 41.605 42.059 -0.718 0.000 1.138 262 L HN 0.089 nan 8.230 nan 0.000 0.487 263 F N 0.808 120.653 119.950 -0.174 0.000 2.385 263 F HA 0.234 4.761 4.527 0.000 0.000 0.336 263 F C 1.225 176.689 175.800 -0.560 0.000 1.100 263 F CA -0.551 57.262 58.000 -0.312 0.000 1.116 263 F CB 0.484 39.392 39.000 -0.153 0.000 1.166 263 F HN 0.159 nan 8.300 nan 0.000 0.511 264 N N 0.140 118.633 118.700 -0.345 0.000 2.461 264 N HA -0.083 4.657 4.740 0.000 0.000 0.188 264 N C -0.287 175.218 175.510 -0.009 0.000 1.134 264 N CA 0.170 53.073 53.050 -0.246 0.000 0.878 264 N CB -0.609 37.828 38.487 -0.082 0.000 0.972 264 N HN 0.553 nan 8.380 nan 0.000 0.456 265 N N -0.737 117.966 118.700 0.004 0.000 2.480 265 N HA 0.075 4.815 4.740 0.000 0.000 0.281 265 N C -0.870 174.635 175.510 -0.010 0.000 1.381 265 N CA -0.469 52.583 53.050 0.004 0.000 0.903 265 N CB 0.229 38.704 38.487 -0.020 0.000 1.274 265 N HN -0.008 nan 8.380 nan 0.000 0.505 266 Q N 0.186 119.996 119.800 0.017 0.000 2.259 266 Q HA 0.428 4.768 4.340 0.000 0.000 0.249 266 Q C 0.811 176.789 176.000 -0.036 0.000 0.914 266 Q CA -0.166 55.626 55.803 -0.019 0.000 0.904 266 Q CB 1.812 30.550 28.738 0.000 0.000 1.213 266 Q HN 0.406 nan 8.270 nan 0.000 0.428 267 A N 2.822 125.589 122.820 -0.090 0.000 1.972 267 A HA -0.101 4.220 4.320 0.000 0.000 0.219 267 A C 1.840 179.374 177.584 -0.085 0.000 1.169 267 A CA 1.798 53.780 52.037 -0.092 0.000 0.635 267 A CB -0.671 18.249 19.000 -0.133 0.000 0.810 267 A HN 0.852 nan 8.150 nan 0.000 0.446 268 G N -0.076 108.653 108.800 -0.119 0.000 2.446 268 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 268 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 268 G C 1.214 176.097 174.900 -0.028 0.000 1.168 268 G CA 1.152 46.183 45.100 -0.115 0.000 0.771 268 G HN 0.497 nan 8.290 nan 0.000 0.551 269 D N 0.483 120.907 120.400 0.041 0.000 2.144 269 D HA -0.056 4.584 4.640 0.000 0.000 0.200 269 D C 2.713 179.076 176.300 0.105 0.000 0.978 269 D CA 0.598 54.681 54.000 0.140 0.000 0.833 269 D CB -0.127 40.809 40.800 0.226 0.000 0.961 269 D HN 0.287 nan 8.370 nan 0.000 0.470 270 R N 0.285 120.819 120.500 0.057 0.000 2.092 270 R HA -0.011 4.329 4.340 0.000 0.000 0.231 270 R C 2.574 178.891 176.300 0.029 0.000 1.119 270 R CA 0.546 56.670 56.100 0.040 0.000 0.970 270 R CB -0.231 30.077 30.300 0.012 0.000 0.864 270 R HN 0.209 nan 8.270 nan 0.000 0.440 271 L N 0.466 121.694 121.223 0.009 0.000 2.109 271 L HA -0.125 4.215 4.340 0.000 0.000 0.207 271 L C 2.303 179.187 176.870 0.023 0.000 1.086 271 L CA 0.933 55.773 54.840 0.000 0.000 0.760 271 L CB -0.338 41.706 42.059 -0.025 0.000 0.910 271 L HN 0.183 nan 8.230 nan 0.000 0.437 272 L N -0.709 120.543 121.223 0.047 0.000 2.056 272 L HA -0.222 4.118 4.340 0.000 0.000 0.207 272 L C 2.666 179.624 176.870 0.147 0.000 1.078 272 L CA 1.340 56.245 54.840 0.108 0.000 0.749 272 L CB -0.450 41.708 42.059 0.164 0.000 0.901 272 L HN 0.331 nan 8.230 nan 0.000 0.433 273 Q N -0.445 119.430 119.800 0.125 0.000 2.119 273 Q HA -0.218 4.122 4.340 0.000 0.000 0.201 273 Q C 2.165 178.202 176.000 0.061 0.000 0.972 273 Q CA 1.233 57.094 55.803 0.096 0.000 0.847 273 Q CB -0.148 28.639 28.738 0.081 0.000 0.903 273 Q HN 0.343 nan 8.270 nan 0.000 0.433 274 L N 0.377 121.628 121.223 0.047 0.000 2.313 274 L HA 0.164 4.504 4.340 0.000 0.000 0.214 274 L C 0.573 177.458 176.870 0.025 0.000 1.119 274 L CA 0.382 55.238 54.840 0.027 0.000 0.809 274 L CB -0.452 41.616 42.059 0.015 0.000 0.933 274 L HN -0.018 nan 8.230 nan 0.000 0.449 275 A N 0.271 123.112 122.820 0.035 0.000 2.520 275 A HA 0.104 4.424 4.320 0.000 0.000 0.235 275 A C 0.883 178.484 177.584 0.027 0.000 1.065 275 A CA 0.530 52.583 52.037 0.027 0.000 0.764 275 A CB -0.098 18.926 19.000 0.040 0.000 1.002 275 A HN 0.610 nan 8.150 nan 0.000 0.502 276 D N 0.146 120.554 120.400 0.012 0.000 2.479 276 D HA 0.174 4.814 4.640 0.000 0.000 0.221 276 D C -0.162 176.143 176.300 0.009 0.000 1.104 276 D CA 0.107 54.114 54.000 0.011 0.000 0.849 276 D CB 0.240 41.042 40.800 0.004 0.000 1.072 276 D HN 0.322 nan 8.370 nan 0.000 0.502 277 L N 1.363 122.586 121.223 -0.000 0.000 2.528 277 L HA 0.424 4.764 4.340 0.000 0.000 0.267 277 L C -1.917 174.939 176.870 -0.024 0.000 0.961 277 L CA -0.722 54.111 54.840 -0.011 0.000 0.866 277 L CB 2.182 44.219 42.059 -0.037 0.000 1.248 277 L HN -0.217 nan 8.230 nan 0.000 0.404 278 V N 6.493 126.421 119.914 0.023 0.000 2.448 278 V HA 0.532 4.652 4.120 0.000 0.000 0.295 278 V C -0.072 176.046 176.094 0.041 0.000 1.025 278 V CA -0.338 61.981 62.300 0.030 0.000 0.859 278 V CB 1.760 33.678 31.823 0.158 0.000 0.988 278 V HN 0.604 nan 8.190 nan 0.000 0.431 279 I N 4.321 124.885 120.570 -0.010 0.000 2.382 279 I HA 0.367 4.537 4.170 0.000 0.000 0.285 279 I C -0.343 175.863 176.117 0.149 0.000 1.007 279 I CA -0.169 61.183 61.300 0.087 0.000 1.142 279 I CB 1.295 39.351 38.000 0.094 0.000 1.289 279 I HN 0.528 nan 8.210 nan 0.000 0.453 280 C N 7.223 126.607 119.300 0.140 0.000 2.369 280 C HA 0.568 5.028 4.460 0.000 0.000 0.358 280 C C 0.339 175.368 174.990 0.066 0.000 1.274 280 C CA -0.583 58.490 59.018 0.091 0.000 1.935 280 C CB -0.167 27.707 27.740 0.224 0.000 2.431 280 C HN 0.533 nan 8.230 nan 0.000 0.545 281 I N 2.631 123.221 120.570 0.032 0.000 2.418 281 I HA 0.466 4.636 4.170 0.000 0.000 0.287 281 I C 1.004 177.111 176.117 -0.017 0.000 1.008 281 I CA 0.041 61.324 61.300 -0.029 0.000 1.104 281 I CB 1.262 39.221 38.000 -0.068 0.000 1.264 281 I HN 0.952 nan 8.210 nan 0.000 0.438 282 G N 4.426 113.191 108.800 -0.060 0.000 2.258 282 G HA2 -0.330 3.630 3.960 0.000 0.000 0.274 282 G HA3 -0.330 3.630 3.960 0.000 0.000 0.274 282 G C -0.370 174.553 174.900 0.038 0.000 1.021 282 G CA 0.252 45.333 45.100 -0.033 0.000 0.798 282 G HN 0.671 nan 8.290 nan 0.000 0.507 283 Y N 0.621 120.878 120.300 -0.071 0.000 2.361 283 Y HA 0.685 5.235 4.550 0.000 0.000 0.332 283 Y C 0.005 175.918 175.900 0.022 0.000 1.101 283 Y CA -0.749 57.337 58.100 -0.023 0.000 1.137 283 Y CB 2.104 40.551 38.460 -0.022 0.000 1.207 283 Y HN 0.276 nan 8.280 nan 0.000 0.463 284 S N 6.701 121.891 115.700 -0.850 0.000 2.557 284 S HA 0.397 4.867 4.470 0.000 0.000 0.291 284 S C -2.134 171.849 174.600 -1.029 0.000 1.116 284 S CA -1.821 55.968 58.200 -0.685 0.000 0.992 284 S CB 1.667 64.726 63.200 -0.236 0.000 1.028 284 S HN 0.615 nan 8.310 nan 0.000 0.484 285 P HA -0.182 nan 4.420 nan 0.000 0.220 285 P C 1.516 178.727 177.300 -0.148 0.000 1.155 285 P CA 1.045 63.923 63.100 -0.370 0.000 0.880 285 P CB 0.070 31.696 31.700 -0.123 0.000 0.790 286 V N -0.036 119.816 119.914 -0.103 0.000 2.660 286 V HA -0.286 3.834 4.120 0.000 0.000 0.257 286 V C 1.880 177.993 176.094 0.032 0.000 1.088 286 V CA 2.000 64.294 62.300 -0.010 0.000 1.106 286 V CB -0.924 30.906 31.823 0.012 0.000 0.686 286 V HN 0.204 nan 8.190 nan 0.000 0.481 287 E N -1.436 118.758 120.200 -0.010 0.000 2.216 287 E HA -0.039 4.311 4.350 0.000 0.000 0.192 287 E C -0.229 176.575 176.600 0.340 0.000 0.988 287 E CA 0.584 57.060 56.400 0.127 0.000 0.834 287 E CB 0.252 30.010 29.700 0.096 0.000 0.772 287 E HN 0.637 nan 8.360 nan 0.000 0.479 288 Y N -0.166 120.268 120.300 0.224 0.000 2.237 288 Y HA 0.145 4.695 4.550 0.000 0.000 0.316 288 Y C -1.200 174.924 175.900 0.374 0.000 1.236 288 Y CA -0.913 57.365 58.100 0.296 0.000 1.257 288 Y CB -0.111 38.538 38.460 0.317 0.000 1.272 288 Y HN -0.089 nan 8.280 nan 0.000 0.394 289 E N 6.972 127.243 120.200 0.119 0.000 3.072 289 E HA 0.044 4.394 4.350 0.000 0.000 0.241 289 E C -2.338 174.124 176.600 -0.231 0.000 0.962 289 E CA 0.004 56.368 56.400 -0.060 0.000 0.955 289 E CB -0.323 29.324 29.700 -0.088 0.000 0.899 289 E HN 0.558 nan 8.360 nan 0.000 0.547 290 P HA -0.215 nan 4.420 nan 0.000 0.217 290 P C 1.651 178.470 177.300 -0.801 0.000 1.148 290 P CA 2.035 64.749 63.100 -0.642 0.000 0.828 290 P CB 0.245 31.775 31.700 -0.283 0.000 0.783 291 A N -0.843 121.727 122.820 -0.417 0.000 1.940 291 A HA -0.223 4.097 4.320 0.000 0.000 0.219 291 A C 2.042 179.431 177.584 -0.326 0.000 1.176 291 A CA 1.819 53.666 52.037 -0.317 0.000 0.631 291 A CB -1.367 17.518 19.000 -0.191 0.000 0.814 291 A HN 0.071 nan 8.150 nan 0.000 0.446 292 M N -1.078 118.302 119.600 -0.366 0.000 2.374 292 M HA -0.083 4.397 4.480 0.000 0.000 0.264 292 M C 1.801 178.023 176.300 -0.130 0.000 1.067 292 M CA 0.972 56.097 55.300 -0.290 0.000 1.103 292 M CB -0.987 31.355 32.600 -0.431 0.000 1.402 292 M HN 1.000 nan 8.290 nan 0.000 0.444 293 W N -2.204 118.939 121.300 -0.262 0.000 2.701 293 W HA 0.293 4.953 4.660 0.000 0.000 0.254 293 W C 0.200 176.684 176.519 -0.059 0.000 1.017 293 W CA -0.428 56.847 57.345 -0.117 0.000 1.326 293 W CB -0.517 28.890 29.460 -0.088 0.000 0.881 293 W HN 0.008 nan 8.180 nan 0.000 0.647 294 N N 3.269 121.494 118.700 -0.792 0.000 2.482 294 N HA 0.039 4.779 4.740 0.000 0.000 0.242 294 N C 1.318 176.664 175.510 -0.273 0.000 1.100 294 N CA 0.887 53.569 53.050 -0.612 0.000 0.946 294 N CB 1.165 39.076 38.487 -0.959 0.000 1.227 294 N HN 0.144 nan 8.380 nan 0.000 0.508 295 S N 2.059 117.696 115.700 -0.104 0.000 2.400 295 S HA -0.043 4.427 4.470 0.000 0.000 0.232 295 S C 1.428 175.981 174.600 -0.078 0.000 1.025 295 S CA 1.124 59.284 58.200 -0.067 0.000 0.993 295 S CB -0.224 62.968 63.200 -0.013 0.000 0.808 295 S HN 0.717 nan 8.310 nan 0.000 0.478 296 G N 2.171 110.923 108.800 -0.080 0.000 2.184 296 G HA2 -0.242 3.718 3.960 0.000 0.000 0.206 296 G HA3 -0.242 3.718 3.960 0.000 0.000 0.206 296 G C 0.218 175.094 174.900 -0.038 0.000 0.995 296 G CA 0.082 45.140 45.100 -0.071 0.000 0.651 296 G HN 0.865 nan 8.290 nan 0.000 0.511 297 N N -0.211 118.477 118.700 -0.020 0.000 2.389 297 N HA 0.615 5.355 4.740 0.000 0.000 0.260 297 N C 0.247 175.760 175.510 0.005 0.000 1.191 297 N CA 0.134 53.179 53.050 -0.009 0.000 0.885 297 N CB 1.045 39.528 38.487 -0.007 0.000 1.162 297 N HN 0.731 nan 8.380 nan 0.000 0.512 298 A N 0.259 123.087 122.820 0.013 0.000 2.401 298 A HA 0.518 4.838 4.320 0.000 0.000 0.310 298 A C -0.153 177.448 177.584 0.028 0.000 1.075 298 A CA -0.567 51.488 52.037 0.030 0.000 0.746 298 A CB 1.290 20.327 19.000 0.062 0.000 1.277 298 A HN 0.203 nan 8.150 nan 0.000 0.425 299 T N 2.300 116.868 114.554 0.024 0.000 2.769 299 T HA 0.312 4.662 4.350 0.000 0.000 0.293 299 T C -0.231 174.493 174.700 0.040 0.000 0.931 299 T CA 0.497 62.609 62.100 0.020 0.000 1.139 299 T CB -0.351 68.525 68.868 0.012 0.000 0.881 299 T HN 0.492 nan 8.240 nan 0.000 0.532 300 L N 6.780 128.027 121.223 0.040 0.000 2.265 300 L HA 0.531 4.872 4.340 0.000 0.000 0.289 300 L C -0.655 176.253 176.870 0.063 0.000 1.033 300 L CA -0.349 54.536 54.840 0.075 0.000 0.814 300 L CB 0.863 42.955 42.059 0.055 0.000 1.203 300 L HN 0.376 nan 8.230 nan 0.000 0.423 301 V N 4.942 124.916 119.914 0.101 0.000 2.435 301 V HA 0.351 4.471 4.120 0.000 0.000 0.290 301 V C -0.759 175.449 176.094 0.190 0.000 1.030 301 V CA -0.651 61.716 62.300 0.111 0.000 0.881 301 V CB 1.414 33.288 31.823 0.086 0.000 0.983 301 V HN 0.837 nan 8.190 nan 0.000 0.445 302 H N 4.799 123.921 119.070 0.087 0.000 2.539 302 H HA 0.680 5.236 4.556 0.000 0.000 0.332 302 H C -0.991 174.405 175.328 0.112 0.000 1.031 302 H CA -0.529 55.607 56.048 0.147 0.000 1.206 302 H CB 1.119 30.951 29.762 0.116 0.000 1.446 302 H HN 0.580 nan 8.280 nan 0.000 0.496 303 I N 5.185 125.594 120.570 -0.269 0.000 2.418 303 I HA 0.322 4.492 4.170 0.000 0.000 0.287 303 I C -0.807 175.125 176.117 -0.309 0.000 1.008 303 I CA -0.417 60.776 61.300 -0.178 0.000 1.104 303 I CB 1.572 39.539 38.000 -0.055 0.000 1.264 303 I HN 0.683 nan 8.210 nan 0.000 0.438 304 D N 2.927 123.214 120.400 -0.189 0.000 2.713 304 D HA 0.228 4.868 4.640 0.000 0.000 0.306 304 D C 0.309 176.598 176.300 -0.018 0.000 1.299 304 D CA -0.472 53.456 54.000 -0.120 0.000 0.823 304 D CB 1.906 42.620 40.800 -0.144 0.000 1.353 304 D HN 0.187 nan 8.370 nan 0.000 0.447 305 V N -1.057 118.851 119.914 -0.010 0.000 3.306 305 V HA 0.397 4.517 4.120 0.000 0.000 0.264 305 V C 0.483 176.595 176.094 0.030 0.000 1.149 305 V CA 0.636 62.942 62.300 0.010 0.000 1.143 305 V CB -0.814 31.013 31.823 0.007 0.000 0.767 305 V HN 0.288 nan 8.190 nan 0.000 0.476 306 L N -0.185 121.057 121.223 0.031 0.000 2.388 306 L HA 0.619 4.959 4.340 0.000 0.000 0.264 306 L C -2.681 174.222 176.870 0.056 0.000 0.998 306 L CA -2.193 52.667 54.840 0.035 0.000 0.817 306 L CB 2.191 44.244 42.059 -0.009 0.000 1.338 306 L HN -0.136 nan 8.230 nan 0.000 0.414 307 P HA 0.005 nan 4.420 nan 0.000 0.269 307 P C -0.616 176.617 177.300 -0.111 0.000 1.211 307 P CA -0.134 62.987 63.100 0.036 0.000 0.781 307 P CB 0.484 32.224 31.700 0.066 0.000 0.877 308 A N 1.876 124.499 122.820 -0.328 0.000 2.483 308 A HA 0.077 4.398 4.320 0.000 0.000 0.238 308 A C -0.383 177.192 177.584 -0.015 0.000 1.070 308 A CA 0.081 51.801 52.037 -0.528 0.000 0.770 308 A CB -0.605 17.972 19.000 -0.704 0.000 1.008 308 A HN 0.585 nan 8.150 nan 0.000 0.497 309 Y N 1.688 121.999 120.300 0.017 0.000 2.812 309 Y HA 0.102 4.652 4.550 0.000 0.000 0.354 309 Y C 0.560 176.510 175.900 0.084 0.000 1.276 309 Y CA -0.678 57.447 58.100 0.041 0.000 1.639 309 Y CB -0.153 38.330 38.460 0.038 0.000 1.741 309 Y HN 0.750 nan 8.280 nan 0.000 0.479 310 E N 2.472 122.786 120.200 0.191 0.000 2.812 310 E HA -0.185 4.165 4.350 0.000 0.000 0.276 310 E C 0.063 176.744 176.600 0.135 0.000 0.946 310 E CA 0.888 57.362 56.400 0.124 0.000 0.971 310 E CB 0.639 30.362 29.700 0.038 0.000 0.960 310 E HN 0.610 nan 8.360 nan 0.000 0.479 311 E N 0.855 121.137 120.200 0.136 0.000 2.459 311 E HA 0.374 4.724 4.350 0.000 0.000 0.275 311 E C 0.885 177.511 176.600 0.044 0.000 0.987 311 E CA -0.037 56.419 56.400 0.093 0.000 0.828 311 E CB 0.953 30.727 29.700 0.124 0.000 1.428 311 E HN 0.375 nan 8.360 nan 0.000 0.457 312 R N 0.896 121.402 120.500 0.010 0.000 2.080 312 R HA -0.115 4.225 4.340 0.000 0.000 0.236 312 R C 1.293 177.570 176.300 -0.038 0.000 1.137 312 R CA 2.327 58.414 56.100 -0.021 0.000 0.943 312 R CB -1.283 28.996 30.300 -0.034 0.000 0.846 312 R HN 0.518 nan 8.270 nan 0.000 0.431 313 N N -1.238 117.431 118.700 -0.052 0.000 2.235 313 N HA 0.073 4.813 4.740 0.000 0.000 0.209 313 N C -1.110 174.365 175.510 -0.058 0.000 1.122 313 N CA 0.092 53.077 53.050 -0.109 0.000 0.845 313 N CB 0.729 39.090 38.487 -0.210 0.000 1.004 313 N HN 0.551 nan 8.380 nan 0.000 0.499 314 Y N 0.903 121.141 120.300 -0.104 0.000 2.584 314 Y HA 0.243 4.793 4.550 0.000 0.000 0.358 314 Y C -0.690 175.214 175.900 0.006 0.000 1.028 314 Y CA -0.522 57.563 58.100 -0.025 0.000 1.148 314 Y CB 0.299 38.809 38.460 0.083 0.000 1.126 314 Y HN -0.256 nan 8.280 nan 0.000 0.658 315 T N 6.143 120.557 114.554 -0.233 0.000 3.331 315 T HA 0.258 4.608 4.350 0.000 0.000 0.381 315 T C -2.707 171.842 174.700 -0.252 0.000 1.656 315 T CA -1.221 60.749 62.100 -0.217 0.000 1.453 315 T CB 0.314 69.118 68.868 -0.106 0.000 1.066 315 T HN 0.343 nan 8.240 nan 0.000 0.655 316 P HA 0.043 nan 4.420 nan 0.000 0.263 316 P C 0.138 177.370 177.300 -0.113 0.000 1.175 316 P CA 0.100 63.054 63.100 -0.244 0.000 0.761 316 P CB 1.128 32.678 31.700 -0.250 0.000 0.794 317 D N 0.776 121.141 120.400 -0.058 0.000 2.194 317 D HA 0.012 4.652 4.640 0.000 0.000 0.204 317 D C 0.535 176.828 176.300 -0.011 0.000 0.964 317 D CA 1.149 55.131 54.000 -0.030 0.000 0.846 317 D CB 0.319 41.111 40.800 -0.014 0.000 0.962 317 D HN 0.158 nan 8.370 nan 0.000 0.490 318 V N 0.939 120.857 119.914 0.007 0.000 2.686 318 V HA 0.287 4.407 4.120 0.000 0.000 0.306 318 V C -0.556 175.577 176.094 0.064 0.000 1.065 318 V CA -0.778 61.540 62.300 0.029 0.000 0.894 318 V CB 2.791 34.635 31.823 0.036 0.000 1.004 318 V HN -0.148 nan 8.190 nan 0.000 0.424 319 E N 4.302 124.543 120.200 0.069 0.000 2.185 319 E HA 0.524 4.874 4.350 0.000 0.000 0.261 319 E C -1.319 175.348 176.600 0.113 0.000 0.879 319 E CA -0.533 55.944 56.400 0.129 0.000 0.756 319 E CB 2.294 32.048 29.700 0.089 0.000 1.152 319 E HN 0.527 nan 8.360 nan 0.000 0.416 320 L N 4.059 125.355 121.223 0.122 0.000 2.321 320 L HA 0.345 4.685 4.340 0.000 0.000 0.272 320 L C -0.599 176.315 176.870 0.073 0.000 1.050 320 L CA -0.707 54.178 54.840 0.075 0.000 0.893 320 L CB 0.813 42.902 42.059 0.051 0.000 1.272 320 L HN 0.224 nan 8.230 nan 0.000 0.435 321 V N 2.421 122.382 119.914 0.077 0.000 2.509 321 V HA 0.904 5.024 4.120 0.000 0.000 0.284 321 V C 0.711 176.829 176.094 0.041 0.000 1.047 321 V CA 0.032 62.373 62.300 0.069 0.000 0.952 321 V CB 1.170 33.040 31.823 0.077 0.000 0.988 321 V HN 0.936 nan 8.190 nan 0.000 0.469 322 G N 3.459 112.277 108.800 0.029 0.000 2.339 322 G HA2 0.011 3.971 3.960 0.000 0.000 0.275 322 G HA3 0.011 3.971 3.960 0.000 0.000 0.275 322 G C -1.141 173.763 174.900 0.008 0.000 1.323 322 G CA -0.542 44.569 45.100 0.019 0.000 0.927 322 G HN 0.634 nan 8.290 nan 0.000 0.486 323 D N 0.669 121.072 120.400 0.004 0.000 2.363 323 D HA 0.182 4.822 4.640 0.000 0.000 0.263 323 D C 1.790 178.082 176.300 -0.012 0.000 1.258 323 D CA -0.153 53.844 54.000 -0.004 0.000 0.907 323 D CB 0.561 41.359 40.800 -0.003 0.000 1.107 323 D HN 0.353 nan 8.370 nan 0.000 0.495 324 I N 3.679 124.237 120.570 -0.021 0.000 2.118 324 I HA -0.346 3.824 4.170 0.000 0.000 0.241 324 I C 2.489 178.583 176.117 -0.039 0.000 1.070 324 I CA 1.377 62.657 61.300 -0.034 0.000 1.327 324 I CB -0.269 37.704 38.000 -0.045 0.000 1.034 324 I HN 0.487 nan 8.210 nan 0.000 0.405 325 A N 0.927 123.725 122.820 -0.037 0.000 1.908 325 A HA -0.175 4.145 4.320 0.000 0.000 0.218 325 A C 2.425 179.991 177.584 -0.031 0.000 1.181 325 A CA 2.115 54.128 52.037 -0.039 0.000 0.627 325 A CB -1.484 17.495 19.000 -0.034 0.000 0.818 325 A HN 0.504 nan 8.150 nan 0.000 0.445 326 G N -1.371 107.417 108.800 -0.021 0.000 2.421 326 G HA2 -0.138 3.822 3.960 0.000 0.000 0.216 326 G HA3 -0.138 3.822 3.960 0.000 0.000 0.216 326 G C 1.592 176.484 174.900 -0.012 0.000 1.171 326 G CA 1.635 46.726 45.100 -0.014 0.000 0.775 326 G HN 0.428 nan 8.290 nan 0.000 0.543 327 T N 1.556 116.103 114.554 -0.012 0.000 2.674 327 T HA -0.061 4.290 4.350 0.000 0.000 0.265 327 T C 2.449 177.142 174.700 -0.011 0.000 1.039 327 T CA 1.100 63.196 62.100 -0.007 0.000 1.150 327 T CB -0.277 68.588 68.868 -0.004 0.000 0.864 327 T HN 0.154 nan 8.240 nan 0.000 0.427 328 L N 0.884 122.090 121.223 -0.028 0.000 2.042 328 L HA -0.143 4.197 4.340 0.000 0.000 0.210 328 L C 2.414 179.265 176.870 -0.032 0.000 1.076 328 L CA 1.469 56.283 54.840 -0.043 0.000 0.749 328 L CB -0.807 41.201 42.059 -0.085 0.000 0.893 328 L HN 0.368 nan 8.230 nan 0.000 0.432 329 N N -0.011 118.672 118.700 -0.029 0.000 2.120 329 N HA -0.183 4.557 4.740 0.000 0.000 0.188 329 N C 1.783 177.287 175.510 -0.010 0.000 1.024 329 N CA 1.059 54.096 53.050 -0.021 0.000 0.852 329 N CB 0.036 38.512 38.487 -0.019 0.000 1.003 329 N HN 0.331 nan 8.380 nan 0.000 0.424 330 K N 0.341 120.737 120.400 -0.006 0.000 2.155 330 K HA -0.068 4.252 4.320 0.000 0.000 0.203 330 K C 1.796 178.399 176.600 0.005 0.000 1.052 330 K CA 0.504 56.791 56.287 0.000 0.000 0.948 330 K CB -0.038 32.463 32.500 0.002 0.000 0.728 330 K HN 0.092 nan 8.250 nan 0.000 0.448 331 L N 1.174 122.402 121.223 0.009 0.000 2.056 331 L HA -0.062 4.278 4.340 0.000 0.000 0.207 331 L C 2.207 179.090 176.870 0.023 0.000 1.078 331 L CA 1.551 56.405 54.840 0.023 0.000 0.749 331 L CB -0.641 41.443 42.059 0.041 0.000 0.901 331 L HN 0.090 nan 8.230 nan 0.000 0.433 332 A N -0.966 121.862 122.820 0.014 0.000 1.883 332 A HA -0.280 4.040 4.320 0.000 0.000 0.217 332 A C 2.104 179.692 177.584 0.006 0.000 1.186 332 A CA 1.875 53.920 52.037 0.014 0.000 0.624 332 A CB -0.665 18.336 19.000 0.002 0.000 0.822 332 A HN 0.665 nan 8.150 nan 0.000 0.444 333 Q N -0.347 119.454 119.800 0.001 0.000 2.508 333 Q HA -0.052 4.288 4.340 0.000 0.000 0.214 333 Q C 0.318 176.315 176.000 -0.005 0.000 0.979 333 Q CA 0.736 56.538 55.803 -0.002 0.000 0.911 333 Q CB -0.106 28.631 28.738 -0.001 0.000 0.969 333 Q HN 0.573 nan 8.270 nan 0.000 0.504 334 N N 0.136 118.833 118.700 -0.004 0.000 2.275 334 N HA 0.211 4.951 4.740 0.000 0.000 0.236 334 N C -0.633 174.860 175.510 -0.029 0.000 1.154 334 N CA 0.177 53.221 53.050 -0.011 0.000 0.866 334 N CB 0.976 39.461 38.487 -0.003 0.000 1.093 334 N HN 0.166 nan 8.380 nan 0.000 0.515 335 I N 0.591 121.140 120.570 -0.035 0.000 2.359 335 I HA 0.084 4.254 4.170 0.000 0.000 0.284 335 I C 0.974 177.034 176.117 -0.095 0.000 1.018 335 I CA -0.384 60.870 61.300 -0.076 0.000 1.173 335 I CB 1.815 39.794 38.000 -0.036 0.000 1.326 335 I HN -0.153 nan 8.210 nan 0.000 0.462 336 D N 4.453 124.766 120.400 -0.145 0.000 2.084 336 D HA -0.118 4.522 4.640 0.000 0.000 0.199 336 D C 0.588 176.852 176.300 -0.060 0.000 0.981 336 D CA 1.541 55.488 54.000 -0.088 0.000 0.841 336 D CB 0.262 41.034 40.800 -0.046 0.000 0.997 336 D HN 0.647 nan 8.370 nan 0.000 0.454 337 H N -1.340 117.732 119.070 0.004 0.000 2.499 337 H HA 0.566 5.122 4.556 0.000 0.000 0.340 337 H C -0.265 175.063 175.328 -0.000 0.000 1.148 337 H CA -1.016 55.030 56.048 -0.004 0.000 1.215 337 H CB 0.725 30.485 29.762 -0.003 0.000 1.529 337 H HN -0.143 nan 8.280 nan 0.000 0.510 338 R N 1.041 121.630 120.500 0.149 0.000 2.679 338 R HA 0.192 4.532 4.340 0.000 0.000 0.269 338 R C -0.321 176.115 176.300 0.225 0.000 1.076 338 R CA -0.944 55.218 56.100 0.103 0.000 1.160 338 R CB 0.626 30.895 30.300 -0.051 0.000 1.054 338 R HN 0.570 nan 8.270 nan 0.000 0.507 339 L N 1.611 122.949 121.223 0.192 0.000 2.380 339 L HA 0.156 4.496 4.340 0.000 0.000 0.273 339 L C -0.816 176.117 176.870 0.104 0.000 1.138 339 L CA 0.148 55.089 54.840 0.168 0.000 0.832 339 L CB 1.362 43.505 42.059 0.140 0.000 1.124 339 L HN 0.227 nan 8.230 nan 0.000 0.454 340 V N 6.756 126.705 119.914 0.058 0.000 2.311 340 V HA 0.269 4.389 4.120 0.000 0.000 0.275 340 V C 0.339 176.441 176.094 0.013 0.000 1.022 340 V CA -0.737 61.575 62.300 0.020 0.000 0.830 340 V CB 0.913 32.726 31.823 -0.016 0.000 1.012 340 V HN 0.630 nan 8.190 nan 0.000 0.452 341 L N 4.509 125.739 121.223 0.011 0.000 2.559 341 L HA 0.083 4.423 4.340 0.000 0.000 0.282 341 L C 1.221 178.086 176.870 -0.009 0.000 1.232 341 L CA 0.452 55.291 54.840 -0.001 0.000 0.885 341 L CB 0.486 42.536 42.059 -0.014 0.000 1.131 341 L HN 0.862 nan 8.230 nan 0.000 0.498 342 S N 2.816 118.510 115.700 -0.009 0.000 2.608 342 S HA 0.253 4.723 4.470 0.000 0.000 0.261 342 S C -1.788 172.802 174.600 -0.016 0.000 1.314 342 S CA -1.139 57.054 58.200 -0.012 0.000 0.992 342 S CB 0.988 64.183 63.200 -0.009 0.000 0.935 342 S HN 0.415 nan 8.310 nan 0.000 0.564 343 P HA -0.102 nan 4.420 nan 0.000 0.214 343 P C 1.418 178.707 177.300 -0.020 0.000 1.163 343 P CA 1.336 64.426 63.100 -0.017 0.000 0.883 343 P CB -0.046 31.646 31.700 -0.013 0.000 0.788 344 Q N -0.585 119.205 119.800 -0.016 0.000 2.084 344 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 344 Q C 2.261 178.246 176.000 -0.024 0.000 0.978 344 Q CA 1.918 57.710 55.803 -0.017 0.000 0.844 344 Q CB -1.401 27.331 28.738 -0.010 0.000 0.898 344 Q HN 0.165 nan 8.270 nan 0.000 0.426 345 A N 0.859 123.666 122.820 -0.023 0.000 1.865 345 A HA -0.145 4.175 4.320 0.000 0.000 0.217 345 A C 2.309 179.868 177.584 -0.042 0.000 1.191 345 A CA 1.898 53.918 52.037 -0.028 0.000 0.623 345 A CB -1.202 17.786 19.000 -0.021 0.000 0.826 345 A HN 0.392 nan 8.150 nan 0.000 0.444 346 A N -0.543 122.252 122.820 -0.041 0.000 1.908 346 A HA -0.219 4.101 4.320 0.000 0.000 0.218 346 A C 2.072 179.613 177.584 -0.071 0.000 1.181 346 A CA 1.915 53.920 52.037 -0.054 0.000 0.627 346 A CB -0.580 18.394 19.000 -0.043 0.000 0.818 346 A HN 0.698 nan 8.150 nan 0.000 0.445 347 E N -0.133 120.031 120.200 -0.060 0.000 2.051 347 E HA -0.181 4.169 4.350 0.000 0.000 0.192 347 E C 1.926 178.472 176.600 -0.090 0.000 0.991 347 E CA 1.357 57.715 56.400 -0.070 0.000 0.799 347 E CB -0.241 29.433 29.700 -0.043 0.000 0.748 347 E HN 0.669 nan 8.360 nan 0.000 0.449 348 I N 1.021 121.549 120.570 -0.071 0.000 2.208 348 I HA -0.320 3.850 4.170 0.000 0.000 0.245 348 I C 2.487 178.541 176.117 -0.105 0.000 1.097 348 I CA 1.027 62.282 61.300 -0.074 0.000 1.363 348 I CB -0.232 37.736 38.000 -0.054 0.000 1.051 348 I HN 0.214 nan 8.210 nan 0.000 0.413 349 L N 0.316 121.475 121.223 -0.108 0.000 2.141 349 L HA -0.206 4.134 4.340 0.000 0.000 0.209 349 L C 3.268 180.037 176.870 -0.168 0.000 1.094 349 L CA 1.343 56.107 54.840 -0.126 0.000 0.763 349 L CB -0.819 41.175 42.059 -0.108 0.000 0.908 349 L HN 0.237 nan 8.230 nan 0.000 0.437 350 R N -0.068 120.314 120.500 -0.196 0.000 2.092 350 R HA -0.169 4.171 4.340 0.000 0.000 0.231 350 R C 1.725 177.739 176.300 -0.477 0.000 1.119 350 R CA 1.856 57.763 56.100 -0.321 0.000 0.970 350 R CB -1.309 28.814 30.300 -0.294 0.000 0.864 350 R HN 0.382 nan 8.270 nan 0.000 0.440 351 D N -0.136 120.085 120.400 -0.299 0.000 2.117 351 D HA -0.138 4.502 4.640 0.000 0.000 0.198 351 D C 2.036 178.242 176.300 -0.157 0.000 0.982 351 D CA 1.366 55.241 54.000 -0.208 0.000 0.828 351 D CB -0.294 40.445 40.800 -0.101 0.000 0.967 351 D HN 0.520 nan 8.370 nan 0.000 0.464 352 R N 0.938 121.339 120.500 -0.166 0.000 2.096 352 R HA -0.158 4.182 4.340 0.000 0.000 0.235 352 R C 2.184 178.374 176.300 -0.182 0.000 1.127 352 R CA 1.313 57.311 56.100 -0.170 0.000 0.968 352 R CB -0.037 30.156 30.300 -0.178 0.000 0.861 352 R HN 0.161 nan 8.270 nan 0.000 0.440 353 Q N -0.601 119.093 119.800 -0.178 0.000 2.046 353 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 353 Q C 1.676 177.669 176.000 -0.012 0.000 0.975 353 Q CA 1.815 57.542 55.803 -0.126 0.000 0.836 353 Q CB -0.041 28.620 28.738 -0.128 0.000 0.896 353 Q HN 0.654 nan 8.270 nan 0.000 0.428 354 H N -0.548 118.473 119.070 -0.082 0.000 2.389 354 H HA -0.140 4.416 4.556 0.000 0.000 0.299 354 H C 2.214 177.499 175.328 -0.073 0.000 1.081 354 H CA 1.064 57.075 56.048 -0.062 0.000 1.345 354 H CB 0.185 29.919 29.762 -0.047 0.000 1.393 354 H HN 0.389 nan 8.280 nan 0.000 0.520 355 Q N 1.487 121.299 119.800 0.020 0.000 2.050 355 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 355 Q C 2.212 178.154 176.000 -0.096 0.000 0.980 355 Q CA 1.295 57.066 55.803 -0.053 0.000 0.840 355 Q CB 0.110 28.783 28.738 -0.109 0.000 0.898 355 Q HN 0.400 nan 8.270 nan 0.000 0.424 356 R N 0.147 120.533 120.500 -0.189 0.000 2.073 356 R HA -0.151 4.189 4.340 0.000 0.000 0.234 356 R C 2.268 178.555 176.300 -0.022 0.000 1.134 356 R CA 1.849 57.789 56.100 -0.267 0.000 0.952 356 R CB -0.163 29.846 30.300 -0.484 0.000 0.850 356 R HN 0.437 nan 8.270 nan 0.000 0.433 357 E N 0.556 120.755 120.200 -0.001 0.000 2.097 357 E HA -0.224 4.126 4.350 0.000 0.000 0.196 357 E C 2.063 178.695 176.600 0.053 0.000 1.000 357 E CA 1.262 57.685 56.400 0.039 0.000 0.804 357 E CB -0.159 29.559 29.700 0.029 0.000 0.740 357 E HN 0.331 nan 8.360 nan 0.000 0.454 358 L N 0.468 121.715 121.223 0.041 0.000 2.005 358 L HA -0.166 4.174 4.340 0.000 0.000 0.207 358 L C 2.587 179.516 176.870 0.098 0.000 1.072 358 L CA 0.862 55.732 54.840 0.049 0.000 0.744 358 L CB -0.527 41.548 42.059 0.028 0.000 0.895 358 L HN 0.144 nan 8.230 nan 0.000 0.433 359 L N -0.142 121.146 121.223 0.109 0.000 2.129 359 L HA -0.268 4.072 4.340 0.000 0.000 0.212 359 L C 2.284 179.389 176.870 0.392 0.000 1.087 359 L CA 1.145 56.109 54.840 0.208 0.000 0.757 359 L CB -0.570 41.536 42.059 0.079 0.000 0.896 359 L HN 0.380 nan 8.230 nan 0.000 0.434 360 D N -0.155 120.434 120.400 0.315 0.000 2.110 360 D HA -0.057 4.583 4.640 0.000 0.000 0.202 360 D C 1.706 178.094 176.300 0.146 0.000 0.975 360 D CA 0.900 55.062 54.000 0.270 0.000 0.839 360 D CB -0.187 40.744 40.800 0.217 0.000 0.996 360 D HN 0.245 nan 8.370 nan 0.000 0.464 365 Q N 0.916 120.677 119.800 -0.064 0.000 2.553 365 Q HA 0.522 4.862 4.340 0.000 0.000 0.221 365 Q C -0.981 174.972 176.000 -0.077 0.000 1.219 365 Q CA 0.559 56.324 55.803 -0.063 0.000 0.955 365 Q CB -0.007 28.705 28.738 -0.045 0.000 1.399 365 Q HN 0.422 nan 8.270 nan 0.000 0.551 366 L N 2.301 123.461 121.223 -0.105 0.000 2.352 366 L HA 0.303 4.643 4.340 0.000 0.000 0.272 366 L C 0.347 177.176 176.870 -0.068 0.000 1.109 366 L CA -0.280 54.488 54.840 -0.119 0.000 0.952 366 L CB 0.279 42.207 42.059 -0.218 0.000 1.314 366 L HN 0.481 nan 8.230 nan 0.000 0.427 367 N N 2.058 120.734 118.700 -0.039 0.000 2.273 367 N HA 0.024 4.764 4.740 0.000 0.000 0.231 367 N C 0.260 175.781 175.510 0.018 0.000 1.134 367 N CA -0.145 52.895 53.050 -0.018 0.000 0.856 367 N CB 0.551 39.024 38.487 -0.023 0.000 1.068 367 N HN 0.657 nan 8.380 nan 0.000 0.510 368 Q N 0.106 119.921 119.800 0.025 0.000 2.443 368 Q HA 0.312 4.652 4.340 0.000 0.000 0.232 368 Q C -1.023 175.043 176.000 0.110 0.000 1.026 368 Q CA -0.124 55.712 55.803 0.055 0.000 0.924 368 Q CB 0.958 29.717 28.738 0.035 0.000 1.256 368 Q HN 0.091 nan 8.270 nan 0.000 0.519 369 F N 0.198 120.117 119.950 -0.052 0.000 2.573 369 F HA 0.592 5.119 4.527 0.000 0.000 0.316 369 F C -0.873 174.891 175.800 -0.060 0.000 1.148 369 F CA -0.675 57.284 58.000 -0.069 0.000 0.940 369 F CB 1.550 40.513 39.000 -0.063 0.000 1.214 369 F HN 0.927 nan 8.300 nan 0.000 0.448 370 A N 5.474 127.814 122.820 -0.800 0.000 2.536 370 A HA 0.307 4.627 4.320 0.000 0.000 0.234 370 A C -0.226 177.081 177.584 -0.463 0.000 1.076 370 A CA -0.198 51.209 52.037 -1.050 0.000 0.769 370 A CB -0.003 18.550 19.000 -0.745 0.000 1.020 370 A HN 0.856 nan 8.150 nan 0.000 0.508 371 L N 2.302 123.296 121.223 -0.381 0.000 2.485 371 L HA 0.042 4.382 4.340 0.000 0.000 0.275 371 L C 1.208 177.892 176.870 -0.310 0.000 1.207 371 L CA 0.025 54.718 54.840 -0.246 0.000 0.855 371 L CB 0.146 42.043 42.059 -0.269 0.000 1.114 371 L HN 0.779 nan 8.230 nan 0.000 0.485 372 H N 5.003 123.894 119.070 -0.298 0.000 2.610 372 H HA 0.117 4.673 4.556 0.000 0.000 0.336 372 H C -1.889 173.155 175.328 -0.474 0.000 1.087 372 H CA -1.804 54.055 56.048 -0.315 0.000 1.405 372 H CB 1.787 31.424 29.762 -0.209 0.000 1.460 372 H HN 0.351 nan 8.280 nan 0.000 0.538 373 P HA -0.205 nan 4.420 nan 0.000 0.216 373 P C 1.861 178.874 177.300 -0.478 0.000 1.157 373 P CA 1.357 63.944 63.100 -0.855 0.000 0.880 373 P CB 0.226 30.879 31.700 -1.745 0.000 0.791 374 L N -1.519 119.597 121.223 -0.178 0.000 2.042 374 L HA -0.213 4.127 4.340 0.000 0.000 0.210 374 L C 2.699 179.469 176.870 -0.167 0.000 1.076 374 L CA 1.431 56.205 54.840 -0.109 0.000 0.749 374 L CB -0.655 41.387 42.059 -0.028 0.000 0.893 374 L HN -0.094 nan 8.230 nan 0.000 0.432 375 R N 1.027 121.439 120.500 -0.147 0.000 2.081 375 R HA -0.136 4.204 4.340 0.000 0.000 0.235 375 R C 2.019 178.190 176.300 -0.215 0.000 1.131 375 R CA 1.674 57.671 56.100 -0.173 0.000 0.960 375 R CB -0.613 29.598 30.300 -0.148 0.000 0.856 375 R HN 0.315 nan 8.270 nan 0.000 0.436 376 I N -0.371 120.004 120.570 -0.326 0.000 2.252 376 I HA -0.228 3.942 4.170 0.000 0.000 0.245 376 I C 2.073 178.114 176.117 -0.127 0.000 1.102 376 I CA 1.011 62.080 61.300 -0.386 0.000 1.385 376 I CB -0.310 37.121 38.000 -0.949 0.000 1.064 376 I HN -0.027 nan 8.210 nan 0.000 0.414 377 V N 0.960 120.862 119.914 -0.020 0.000 2.295 377 V HA -0.301 3.819 4.120 0.000 0.000 0.246 377 V C 2.675 178.721 176.094 -0.080 0.000 1.049 377 V CA 2.046 64.419 62.300 0.121 0.000 1.024 377 V CB -0.747 31.116 31.823 0.068 0.000 0.648 377 V HN 0.369 nan 8.190 nan 0.000 0.447 378 R N 0.746 121.142 120.500 -0.174 0.000 2.094 378 R HA -0.175 4.165 4.340 0.000 0.000 0.239 378 R C 2.212 178.425 176.300 -0.146 0.000 1.137 378 R CA 2.067 58.050 56.100 -0.194 0.000 0.943 378 R CB -0.915 29.283 30.300 -0.170 0.000 0.850 378 R HN 0.474 nan 8.270 nan 0.000 0.433 379 A N 0.002 122.752 122.820 -0.117 0.000 1.933 379 A HA -0.153 4.167 4.320 0.000 0.000 0.218 379 A C 2.262 179.816 177.584 -0.049 0.000 1.175 379 A CA 1.741 53.722 52.037 -0.092 0.000 0.628 379 A CB -0.475 18.459 19.000 -0.109 0.000 0.814 379 A HN 0.408 nan 8.150 nan 0.000 0.444 380 M N -0.844 118.760 119.600 0.007 0.000 2.117 380 M HA -0.242 4.238 4.480 0.000 0.000 0.262 380 M C 2.384 178.760 176.300 0.128 0.000 1.065 380 M CA 1.751 57.129 55.300 0.130 0.000 1.114 380 M CB -0.493 32.306 32.600 0.332 0.000 1.361 380 M HN 0.503 nan 8.290 nan 0.000 0.408 381 Q N 0.120 119.868 119.800 -0.086 0.000 2.170 381 Q HA -0.175 4.165 4.340 0.000 0.000 0.203 381 Q C 1.436 177.376 176.000 -0.099 0.000 0.976 381 Q CA 1.049 56.691 55.803 -0.269 0.000 0.858 381 Q CB -0.166 28.216 28.738 -0.595 0.000 0.907 381 Q HN 0.496 nan 8.270 nan 0.000 0.433 382 D N 0.802 121.156 120.400 -0.077 0.000 2.144 382 D HA -0.124 4.517 4.640 0.000 0.000 0.200 382 D C 1.939 178.228 176.300 -0.017 0.000 0.978 382 D CA 1.050 55.020 54.000 -0.050 0.000 0.833 382 D CB -0.084 40.682 40.800 -0.057 0.000 0.961 382 D HN 0.452 nan 8.370 nan 0.000 0.470 383 I N -1.774 118.796 120.570 -0.000 0.000 2.876 383 I HA 0.015 4.185 4.170 0.000 0.000 0.264 383 I C 0.530 176.674 176.117 0.044 0.000 1.204 383 I CA 0.164 61.470 61.300 0.011 0.000 1.485 383 I CB 0.053 38.050 38.000 -0.004 0.000 1.103 383 I HN -0.334 nan 8.210 nan 0.000 0.446 384 V N 6.147 126.113 119.914 0.086 0.000 2.370 384 V HA 0.142 4.262 4.120 0.000 0.000 0.257 384 V C 0.140 176.295 176.094 0.101 0.000 1.064 384 V CA -0.342 62.031 62.300 0.123 0.000 0.975 384 V CB -0.586 31.378 31.823 0.235 0.000 1.067 384 V HN 0.532 nan 8.190 nan 0.000 0.485 385 N N 3.206 121.949 118.700 0.073 0.000 2.530 385 N HA 0.167 4.907 4.740 0.000 0.000 0.283 385 N C 1.198 176.744 175.510 0.060 0.000 1.238 385 N CA -0.081 53.003 53.050 0.057 0.000 0.971 385 N CB 1.341 39.852 38.487 0.040 0.000 1.195 385 N HN 0.427 nan 8.380 nan 0.000 0.583 386 S N -1.940 113.788 115.700 0.047 0.000 2.584 386 S HA -0.160 4.310 4.470 0.000 0.000 0.240 386 S C 0.659 175.282 174.600 0.038 0.000 0.975 386 S CA 1.100 59.325 58.200 0.041 0.000 0.949 386 S CB -0.340 62.878 63.200 0.030 0.000 0.761 386 S HN 0.710 nan 8.310 nan 0.000 0.536 387 D N 0.172 120.598 120.400 0.043 0.000 2.407 387 D HA 0.191 4.831 4.640 0.000 0.000 0.208 387 D C -0.186 176.149 176.300 0.058 0.000 1.083 387 D CA -0.007 54.020 54.000 0.045 0.000 0.844 387 D CB 0.612 41.439 40.800 0.044 0.000 0.967 387 D HN 0.242 nan 8.370 nan 0.000 0.506 388 V N 0.845 120.797 119.914 0.063 0.000 2.481 388 V HA 0.359 4.479 4.120 0.000 0.000 0.286 388 V C 0.468 176.603 176.094 0.069 0.000 1.042 388 V CA -0.558 61.787 62.300 0.075 0.000 0.928 388 V CB 1.740 33.609 31.823 0.077 0.000 0.986 388 V HN 0.009 nan 8.190 nan 0.000 0.462 389 T N 5.851 120.451 114.554 0.078 0.000 2.806 389 T HA 0.517 4.867 4.350 0.000 0.000 0.290 389 T C -0.521 174.217 174.700 0.062 0.000 0.966 389 T CA -0.125 62.012 62.100 0.062 0.000 1.060 389 T CB 0.986 69.898 68.868 0.072 0.000 0.927 389 T HN 0.422 nan 8.240 nan 0.000 0.485 390 L N 4.680 125.922 121.223 0.032 0.000 2.313 390 L HA 0.651 4.991 4.340 0.000 0.000 0.283 390 L C 0.144 177.029 176.870 0.024 0.000 1.013 390 L CA -0.211 54.639 54.840 0.017 0.000 0.816 390 L CB 1.340 43.374 42.059 -0.043 0.000 1.236 390 L HN 0.736 nan 8.230 nan 0.000 0.419 391 T N 2.355 116.958 114.554 0.082 0.000 2.823 391 T HA 0.787 5.137 4.350 0.000 0.000 0.279 391 T C -0.621 174.184 174.700 0.175 0.000 0.998 391 T CA -0.716 61.491 62.100 0.179 0.000 0.994 391 T CB 1.474 70.530 68.868 0.313 0.000 0.960 391 T HN 0.381 nan 8.240 nan 0.000 0.448 392 V N 3.308 123.368 119.914 0.243 0.000 2.487 392 V HA 0.409 4.529 4.120 0.000 0.000 0.298 392 V C 0.204 176.506 176.094 0.346 0.000 1.028 392 V CA -0.916 61.516 62.300 0.220 0.000 0.860 392 V CB 1.564 33.430 31.823 0.072 0.000 0.991 392 V HN 1.011 nan 8.190 nan 0.000 0.427 393 D N 2.366 122.979 120.400 0.355 0.000 2.398 393 D HA 0.340 4.980 4.640 0.000 0.000 0.264 393 D C -0.383 176.151 176.300 0.391 0.000 1.263 393 D CA -0.438 53.740 54.000 0.297 0.000 1.037 393 D CB 1.348 42.312 40.800 0.273 0.000 1.101 393 D HN 0.422 nan 8.370 nan 0.000 0.551 394 M N -0.110 119.593 119.600 0.171 0.000 2.268 394 M HA 0.502 4.982 4.480 0.000 0.000 0.344 394 M C -0.413 175.739 176.300 -0.247 0.000 1.106 394 M CA -0.028 55.179 55.300 -0.154 0.000 1.010 394 M CB 1.047 33.523 32.600 -0.207 0.000 1.649 394 M HN 0.413 nan 8.290 nan 0.000 0.443 395 G N 1.754 110.131 108.800 -0.707 0.000 2.324 395 G HA2 0.194 4.154 3.960 0.000 0.000 0.293 395 G HA3 0.194 4.154 3.960 0.000 0.000 0.293 395 G C -0.293 174.124 174.900 -0.805 0.000 1.297 395 G CA -0.262 44.468 45.100 -0.617 0.000 0.853 395 G HN 0.541 nan 8.290 nan 0.000 0.535 396 S N -0.492 114.944 115.700 -0.440 0.000 2.383 396 S HA -0.124 4.346 4.470 0.000 0.000 0.229 396 S C 2.190 176.675 174.600 -0.192 0.000 1.030 396 S CA 2.682 60.684 58.200 -0.329 0.000 1.002 396 S CB -0.597 62.317 63.200 -0.475 0.000 0.829 396 S HN 0.793 nan 8.310 nan 0.000 0.467 397 F N 1.346 121.266 119.950 -0.050 0.000 2.202 397 F HA -0.113 4.414 4.527 0.000 0.000 0.301 397 F C 2.001 177.659 175.800 -0.236 0.000 1.082 397 F CA 1.621 59.319 58.000 -0.505 0.000 1.313 397 F CB -1.315 36.830 39.000 -1.425 0.000 1.024 397 F HN 0.290 nan 8.300 nan 0.000 0.495 398 H N 0.612 119.102 119.070 -0.967 0.000 2.352 398 H HA -0.144 4.412 4.556 0.000 0.000 0.299 398 H C 2.059 177.263 175.328 -0.206 0.000 1.097 398 H CA 2.360 58.107 56.048 -0.502 0.000 1.311 398 H CB -0.022 29.356 29.762 -0.640 0.000 1.377 398 H HN 0.203 nan 8.280 nan 0.000 0.504 399 I N -0.394 120.163 120.570 -0.023 0.000 2.179 399 I HA -0.278 3.892 4.170 0.000 0.000 0.242 399 I C 1.931 178.147 176.117 0.165 0.000 1.088 399 I CA 1.015 62.324 61.300 0.016 0.000 1.357 399 I CB -1.629 36.279 38.000 -0.154 0.000 1.051 399 I HN 0.467 nan 8.210 nan 0.000 0.409 400 W N 1.341 122.736 121.300 0.158 0.000 2.338 400 W HA -0.149 4.511 4.660 0.000 0.000 0.304 400 W C 2.656 179.389 176.519 0.356 0.000 1.212 400 W CA 0.816 58.343 57.345 0.303 0.000 1.264 400 W CB -0.566 29.103 29.460 0.348 0.000 1.142 400 W HN 0.010 nan 8.180 nan 0.000 0.512 401 I N -0.116 120.711 120.570 0.428 0.000 2.252 401 I HA -0.285 3.885 4.170 0.000 0.000 0.245 401 I C 2.573 178.858 176.117 0.280 0.000 1.102 401 I CA 1.271 62.770 61.300 0.331 0.000 1.385 401 I CB -0.971 37.050 38.000 0.036 0.000 1.064 401 I HN -0.037 nan 8.210 nan 0.000 0.414 402 A N 0.920 123.853 122.820 0.188 0.000 1.908 402 A HA -0.276 4.044 4.320 0.000 0.000 0.218 402 A C 2.321 180.153 177.584 0.413 0.000 1.181 402 A CA 1.974 54.187 52.037 0.292 0.000 0.627 402 A CB -0.579 18.559 19.000 0.230 0.000 0.818 402 A HN 0.293 nan 8.150 nan 0.000 0.445 403 R N -1.132 119.568 120.500 0.335 0.000 2.139 403 R HA -0.162 4.178 4.340 0.000 0.000 0.243 403 R C 0.409 176.526 176.300 -0.305 0.000 1.145 403 R CA 1.716 57.648 56.100 -0.280 0.000 0.976 403 R CB -0.671 29.439 30.300 -0.318 0.000 0.866 403 R HN 0.596 nan 8.270 nan 0.000 0.449 404 Y N -0.452 119.896 120.300 0.079 0.000 2.720 404 Y HA 0.283 4.833 4.550 0.000 0.000 0.277 404 Y C 1.042 176.919 175.900 -0.038 0.000 1.144 404 Y CA -0.410 57.586 58.100 -0.173 0.000 1.221 404 Y CB 0.227 38.623 38.460 -0.106 0.000 1.163 404 Y HN -0.049 nan 8.280 nan 0.000 0.537 405 L N -0.409 120.968 121.223 0.257 0.000 2.191 405 L HA -0.264 4.076 4.340 0.000 0.000 0.212 405 L C 2.315 179.351 176.870 0.277 0.000 1.103 405 L CA 1.470 56.513 54.840 0.339 0.000 0.769 405 L CB -0.469 41.747 42.059 0.262 0.000 0.908 405 L HN 0.538 nan 8.230 nan 0.000 0.438 406 Y N -0.595 119.860 120.300 0.258 0.000 2.333 406 Y HA -0.167 4.383 4.550 0.000 0.000 0.290 406 Y C 2.234 178.234 175.900 0.166 0.000 1.144 406 Y CA 1.231 59.454 58.100 0.204 0.000 1.228 406 Y CB -1.629 36.922 38.460 0.152 0.000 0.985 406 Y HN 0.119 nan 8.280 nan 0.000 0.542 407 T N -3.102 111.341 114.554 -0.185 0.000 3.105 407 T HA 0.243 4.593 4.350 0.000 0.000 0.253 407 T C -0.277 174.328 174.700 -0.159 0.000 1.047 407 T CA -0.427 61.606 62.100 -0.111 0.000 0.944 407 T CB -0.846 67.872 68.868 -0.250 0.000 1.016 407 T HN 0.123 nan 8.240 nan 0.000 0.544 408 F N 2.273 122.222 119.950 -0.002 0.000 2.408 408 F HA 0.512 5.039 4.527 0.000 0.000 0.344 408 F C 0.991 176.807 175.800 0.025 0.000 1.112 408 F CA -1.111 56.900 58.000 0.018 0.000 1.096 408 F CB 1.220 40.237 39.000 0.029 0.000 1.129 408 F HN -0.216 nan 8.300 nan 0.000 0.486 409 R N 3.246 123.862 120.500 0.194 0.000 2.724 409 R HA 0.560 4.900 4.340 0.000 0.000 0.284 409 R C -0.725 175.644 176.300 0.116 0.000 1.481 409 R CA -0.474 55.697 56.100 0.119 0.000 1.652 409 R CB 0.977 31.317 30.300 0.067 0.000 1.175 409 R HN 0.611 nan 8.270 nan 0.000 0.613 410 A N 0.752 123.646 122.820 0.124 0.000 2.294 410 A HA 0.357 4.677 4.320 0.000 0.000 0.330 410 A C 1.073 178.686 177.584 0.049 0.000 1.133 410 A CA -0.672 51.419 52.037 0.090 0.000 0.836 410 A CB 1.154 20.205 19.000 0.086 0.000 1.190 410 A HN 0.588 nan 8.150 nan 0.000 0.492 411 R N -0.123 120.401 120.500 0.040 0.000 2.083 411 R HA -0.097 4.244 4.340 0.000 0.000 0.237 411 R C 0.705 177.009 176.300 0.007 0.000 1.137 411 R CA 2.510 58.624 56.100 0.023 0.000 0.951 411 R CB -0.105 30.211 30.300 0.028 0.000 0.851 411 R HN 0.785 nan 8.270 nan 0.000 0.434 412 Q N -1.413 118.392 119.800 0.007 0.000 2.527 412 Q HA 0.428 4.768 4.340 0.000 0.000 0.280 412 Q C -1.985 174.002 176.000 -0.022 0.000 0.977 412 Q CA -0.909 54.884 55.803 -0.016 0.000 0.837 412 Q CB 2.258 30.980 28.738 -0.025 0.000 1.454 412 Q HN 0.023 nan 8.270 nan 0.000 0.387 413 V N 3.361 123.249 119.914 -0.044 0.000 2.531 413 V HA 0.483 4.603 4.120 0.000 0.000 0.301 413 V C -0.496 175.545 176.094 -0.088 0.000 1.034 413 V CA -0.530 61.734 62.300 -0.059 0.000 0.865 413 V CB 1.760 33.542 31.823 -0.069 0.000 0.995 413 V HN 0.818 nan 8.190 nan 0.000 0.424 414 M N 5.621 125.157 119.600 -0.107 0.000 2.080 414 M HA 0.494 4.974 4.480 0.000 0.000 0.350 414 M C 0.409 176.663 176.300 -0.077 0.000 1.143 414 M CA 0.097 55.250 55.300 -0.244 0.000 1.064 414 M CB 1.277 33.598 32.600 -0.465 0.000 1.429 414 M HN 0.747 nan 8.290 nan 0.000 0.418 415 I N -0.015 120.541 120.570 -0.023 0.000 4.706 415 I HA 0.143 4.313 4.170 0.000 0.000 0.321 415 I C 0.872 177.123 176.117 0.225 0.000 1.249 415 I CA 0.273 61.642 61.300 0.115 0.000 1.321 415 I CB 0.880 38.875 38.000 -0.008 0.000 1.342 415 I HN 0.539 nan 8.210 nan 0.000 0.463 416 S N 2.263 118.048 115.700 0.142 0.000 2.563 416 S HA -0.035 4.435 4.470 0.000 0.000 0.294 416 S C 0.092 174.817 174.600 0.209 0.000 1.279 416 S CA 0.542 58.842 58.200 0.166 0.000 1.069 416 S CB -0.200 63.070 63.200 0.116 0.000 0.828 416 S HN 0.520 nan 8.310 nan 0.000 0.497 417 N N 2.906 121.701 118.700 0.158 0.000 2.946 417 N HA 0.193 4.933 4.740 0.000 0.000 0.213 417 N C 0.650 176.177 175.510 0.028 0.000 1.440 417 N CA 0.244 53.380 53.050 0.143 0.000 0.745 417 N CB 0.015 38.590 38.487 0.147 0.000 1.471 417 N HN 0.602 nan 8.380 nan 0.000 0.569 418 G N 0.561 109.390 108.800 0.049 0.000 2.442 418 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 418 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 418 G C 1.012 175.909 174.900 -0.007 0.000 1.141 418 G CA 0.772 45.883 45.100 0.017 0.000 0.763 418 G HN 0.432 nan 8.290 nan 0.000 0.554 419 Q N -0.335 119.472 119.800 0.011 0.000 2.369 419 Q HA 0.004 4.344 4.340 0.000 0.000 0.206 419 Q C 0.913 176.886 176.000 -0.045 0.000 0.963 419 Q CA 0.534 56.333 55.803 -0.006 0.000 0.894 419 Q CB -0.006 28.746 28.738 0.023 0.000 0.965 419 Q HN 0.694 nan 8.270 nan 0.000 0.475 420 Q N 0.183 119.942 119.800 -0.069 0.000 2.493 420 Q HA -0.117 4.223 4.340 0.000 0.000 0.278 420 Q C -0.855 175.075 176.000 -0.116 0.000 1.216 420 Q CA 0.469 56.194 55.803 -0.131 0.000 0.875 420 Q CB -2.312 26.332 28.738 -0.156 0.000 1.262 420 Q HN 0.215 nan 8.270 nan 0.000 0.468 421 T N 1.786 116.284 114.554 -0.094 0.000 2.799 421 T HA 0.341 4.691 4.350 0.000 0.000 0.296 421 T C 0.699 175.288 174.700 -0.184 0.000 0.947 421 T CA -0.150 61.886 62.100 -0.106 0.000 1.141 421 T CB 0.264 69.095 68.868 -0.063 0.000 0.891 421 T HN 0.280 nan 8.240 nan 0.000 0.533 422 M N 1.502 121.021 119.600 -0.134 0.000 2.288 422 M HA 0.621 5.101 4.480 0.000 0.000 0.334 422 M C 1.076 177.262 176.300 -0.190 0.000 1.150 422 M CA -0.082 55.150 55.300 -0.113 0.000 1.118 422 M CB 0.630 33.224 32.600 -0.010 0.000 1.501 422 M HN 0.730 nan 8.290 nan 0.000 0.462 423 G N 1.120 109.793 108.800 -0.211 0.000 2.176 423 G HA2 -0.259 3.701 3.960 0.000 0.000 0.232 423 G HA3 -0.259 3.701 3.960 0.000 0.000 0.232 423 G C 0.408 174.957 174.900 -0.585 0.000 0.986 423 G CA 0.542 45.473 45.100 -0.282 0.000 0.643 423 G HN 1.191 nan 8.290 nan 0.000 0.522 424 V N -1.257 118.109 119.914 -0.914 0.000 2.358 424 V HA 0.279 4.399 4.120 0.000 0.000 0.246 424 V C 2.988 178.443 176.094 -1.066 0.000 1.047 424 V CA 2.180 63.525 62.300 -1.593 0.000 1.035 424 V CB -1.481 28.999 31.823 -2.239 0.000 0.658 424 V HN 1.493 nan 8.190 nan 0.000 0.452 425 A N 1.336 123.876 122.820 -0.466 0.000 1.870 425 A HA -0.264 4.056 4.320 0.000 0.000 0.219 425 A C 2.251 179.885 177.584 0.084 0.000 1.224 425 A CA 2.733 54.766 52.037 -0.007 0.000 0.650 425 A CB -1.058 18.022 19.000 0.134 0.000 0.836 425 A HN 0.635 nan 8.150 nan 0.000 0.454 426 L N 1.005 122.249 121.223 0.034 0.000 1.989 426 L HA -0.089 4.251 4.340 0.000 0.000 0.211 426 L C -0.455 176.438 176.870 0.039 0.000 1.071 426 L CA 2.875 57.734 54.840 0.031 0.000 0.749 426 L CB -1.317 40.639 42.059 -0.173 0.000 0.890 426 L HN 0.268 nan 8.230 nan 0.000 0.431 427 P HA -0.207 nan 4.420 nan 0.000 0.216 427 P C 1.407 178.808 177.300 0.169 0.000 1.150 427 P CA 1.694 64.826 63.100 0.054 0.000 0.837 427 P CB -0.445 31.305 31.700 0.083 0.000 0.786 428 W N 0.816 122.128 121.300 0.019 0.000 2.335 428 W HA -0.024 4.636 4.660 0.000 0.000 0.311 428 W C 2.829 179.386 176.519 0.064 0.000 1.213 428 W CA 1.169 58.532 57.345 0.030 0.000 1.274 428 W CB -1.845 27.618 29.460 0.006 0.000 1.148 428 W HN 0.005 nan 8.180 nan 0.000 0.498 429 A N 0.071 123.086 122.820 0.325 0.000 1.908 429 A HA -0.198 4.122 4.320 0.000 0.000 0.218 429 A C 2.061 179.803 177.584 0.263 0.000 1.181 429 A CA 1.997 54.185 52.037 0.251 0.000 0.627 429 A CB -0.990 18.137 19.000 0.212 0.000 0.818 429 A HN 0.253 nan 8.150 nan 0.000 0.445 430 I N -0.566 120.145 120.570 0.235 0.000 2.252 430 I HA -0.183 3.987 4.170 0.000 0.000 0.245 430 I C 2.698 179.018 176.117 0.338 0.000 1.102 430 I CA 1.085 62.552 61.300 0.279 0.000 1.385 430 I CB -0.670 37.454 38.000 0.206 0.000 1.064 430 I HN 0.409 nan 8.210 nan 0.000 0.414 431 G N 0.552 109.490 108.800 0.230 0.000 2.418 431 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 431 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 431 G C 1.863 176.892 174.900 0.215 0.000 1.158 431 G CA 0.803 46.018 45.100 0.191 0.000 0.771 431 G HN 0.482 nan 8.290 nan 0.000 0.545 432 A N -0.126 122.815 122.820 0.202 0.000 1.930 432 A HA -0.032 4.288 4.320 0.000 0.000 0.217 432 A C 2.134 179.826 177.584 0.180 0.000 1.175 432 A CA 1.566 53.695 52.037 0.154 0.000 0.627 432 A CB -0.681 18.398 19.000 0.132 0.000 0.815 432 A HN 0.568 nan 8.150 nan 0.000 0.443 433 W N 0.632 121.993 121.300 0.102 0.000 2.358 433 W HA -0.116 4.544 4.660 0.000 0.000 0.303 433 W C 1.617 178.197 176.519 0.103 0.000 1.208 433 W CA 1.680 59.082 57.345 0.095 0.000 1.274 433 W CB -0.363 29.156 29.460 0.100 0.000 1.138 433 W HN 0.235 nan 8.180 nan 0.000 0.515 434 L N 0.021 121.267 121.223 0.038 0.000 2.187 434 L HA -0.244 4.096 4.340 0.000 0.000 0.213 434 L C 2.146 178.903 176.870 -0.189 0.000 1.100 434 L CA 1.013 55.756 54.840 -0.162 0.000 0.765 434 L CB -0.875 41.294 42.059 0.183 0.000 0.904 434 L HN -0.105 nan 8.230 nan 0.000 0.437 435 V N -0.697 119.168 119.914 -0.082 0.000 2.453 435 V HA -0.164 3.956 4.120 0.000 0.000 0.247 435 V C 0.241 176.256 176.094 -0.133 0.000 1.048 435 V CA 1.383 63.645 62.300 -0.064 0.000 1.049 435 V CB -0.443 31.379 31.823 -0.002 0.000 0.672 435 V HN 0.511 nan 8.190 nan 0.000 0.457 436 N N -0.173 118.412 118.700 -0.193 0.000 2.752 436 N HA 0.229 4.969 4.740 0.000 0.000 0.260 436 N C -2.192 173.098 175.510 -0.368 0.000 1.562 436 N CA -0.907 52.027 53.050 -0.193 0.000 0.788 436 N CB 1.388 39.830 38.487 -0.074 0.000 1.192 436 N HN 0.172 nan 8.380 nan 0.000 0.503 437 P HA -0.201 nan 4.420 nan 0.000 0.226 437 P C 0.610 177.800 177.300 -0.183 0.000 1.146 437 P CA 1.258 63.708 63.100 -1.084 0.000 0.773 437 P CB 0.449 31.538 31.700 -1.018 0.000 0.772 438 E N 0.090 120.245 120.200 -0.076 0.000 2.442 438 E HA -0.010 4.340 4.350 0.000 0.000 0.195 438 E C 0.714 177.389 176.600 0.125 0.000 1.030 438 E CA 0.234 56.672 56.400 0.064 0.000 0.869 438 E CB -0.144 29.568 29.700 0.021 0.000 0.857 438 E HN 0.295 nan 8.360 nan 0.000 0.505 439 R N 0.510 121.091 120.500 0.134 0.000 2.691 439 R HA 0.457 4.797 4.340 0.000 0.000 0.259 439 R C -0.310 176.165 176.300 0.291 0.000 1.048 439 R CA -0.866 55.333 56.100 0.166 0.000 1.086 439 R CB 1.030 31.395 30.300 0.109 0.000 1.166 439 R HN -0.139 nan 8.270 nan 0.000 0.526 440 K N 0.435 120.958 120.400 0.206 0.000 2.110 440 K HA 0.398 4.718 4.320 0.000 0.000 0.263 440 K C -1.252 175.456 176.600 0.179 0.000 0.975 440 K CA -0.455 55.944 56.287 0.188 0.000 0.895 440 K CB 1.515 34.080 32.500 0.108 0.000 1.060 440 K HN 0.293 nan 8.250 nan 0.000 0.448 441 V N 3.488 123.502 119.914 0.166 0.000 2.680 441 V HA 0.544 4.664 4.120 0.000 0.000 0.309 441 V C -1.014 175.140 176.094 0.099 0.000 1.052 441 V CA -0.999 61.391 62.300 0.150 0.000 0.908 441 V CB 2.003 33.950 31.823 0.208 0.000 1.001 441 V HN 0.565 nan 8.190 nan 0.000 0.431 442 V N 3.086 123.053 119.914 0.088 0.000 2.483 442 V HA 0.634 4.754 4.120 0.000 0.000 0.297 442 V C -0.099 176.031 176.094 0.061 0.000 1.027 442 V CA -0.361 61.975 62.300 0.060 0.000 0.855 442 V CB 2.082 33.932 31.823 0.045 0.000 0.995 442 V HN 1.028 nan 8.190 nan 0.000 0.424 443 S N 3.946 119.680 115.700 0.057 0.000 2.532 443 S HA 0.873 5.343 4.470 0.000 0.000 0.301 443 S C -0.868 173.622 174.600 -0.184 0.000 1.083 443 S CA -0.816 57.422 58.200 0.063 0.000 1.025 443 S CB 2.148 65.502 63.200 0.256 0.000 1.056 443 S HN 0.783 nan 8.310 nan 0.000 0.494 444 V N 1.831 121.626 119.914 -0.200 0.000 2.789 444 V HA 0.918 5.038 4.120 0.000 0.000 0.311 444 V C -0.655 175.157 176.094 -0.470 0.000 1.073 444 V CA 0.276 62.328 62.300 -0.413 0.000 0.921 444 V CB 1.822 33.509 31.823 -0.228 0.000 1.009 444 V HN 1.546 nan 8.190 nan 0.000 0.426 445 S N 3.996 119.266 115.700 -0.717 0.000 2.688 445 S HA 0.875 5.345 4.470 0.000 0.000 0.275 445 S C -0.151 173.893 174.600 -0.927 0.000 1.175 445 S CA -0.219 57.506 58.200 -0.793 0.000 0.818 445 S CB 1.222 64.430 63.200 0.013 0.000 1.157 445 S HN 1.540 nan 8.310 nan 0.000 0.482 446 G N -0.225 108.306 108.800 -0.449 0.000 2.531 446 G HA2 0.473 4.433 3.960 0.000 0.000 0.313 446 G HA3 0.473 4.433 3.960 0.000 0.000 0.313 446 G C 0.031 174.993 174.900 0.102 0.000 1.238 446 G CA -0.234 44.874 45.100 0.013 0.000 0.994 446 G HN 0.776 nan 8.290 nan 0.000 0.493 447 D N -0.705 119.789 120.400 0.158 0.000 2.178 447 D HA -0.048 4.592 4.640 0.000 0.000 0.202 447 D C 2.177 178.629 176.300 0.254 0.000 0.974 447 D CA 1.270 55.369 54.000 0.165 0.000 0.841 447 D CB -0.661 40.337 40.800 0.329 0.000 0.953 447 D HN 0.465 nan 8.370 nan 0.000 0.478 448 G N 0.536 109.546 108.800 0.351 0.000 2.404 448 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 448 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 448 G C 1.735 176.805 174.900 0.285 0.000 1.174 448 G CA 0.785 46.099 45.100 0.357 0.000 0.780 448 G HN 0.455 nan 8.290 nan 0.000 0.537 449 G N 0.136 109.101 108.800 0.275 0.000 2.422 449 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 449 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 449 G C 1.593 176.551 174.900 0.097 0.000 1.140 449 G CA 0.813 46.010 45.100 0.162 0.000 0.775 449 G HN 0.335 nan 8.290 nan 0.000 0.545 450 F N 1.183 121.124 119.950 -0.016 0.000 2.102 450 F HA 0.052 4.579 4.527 0.000 0.000 0.298 450 F C 2.294 178.034 175.800 -0.101 0.000 1.105 450 F CA 1.108 59.049 58.000 -0.098 0.000 1.239 450 F CB -0.143 38.777 39.000 -0.134 0.000 0.991 450 F HN 0.021 nan 8.300 nan 0.000 0.474 451 L N -0.088 121.059 121.223 -0.126 0.000 2.465 451 L HA -0.137 4.203 4.340 0.000 0.000 0.224 451 L C 2.161 178.922 176.870 -0.181 0.000 1.145 451 L CA 0.704 55.414 54.840 -0.216 0.000 0.834 451 L CB -0.599 41.407 42.059 -0.087 0.000 0.944 451 L HN 0.291 nan 8.230 nan 0.000 0.451 452 Q N -0.596 119.121 119.800 -0.140 0.000 2.311 452 Q HA -0.080 4.260 4.340 0.000 0.000 0.203 452 Q C 1.715 177.612 176.000 -0.173 0.000 0.954 452 Q CA 1.571 57.298 55.803 -0.127 0.000 0.885 452 Q CB 0.263 28.956 28.738 -0.076 0.000 0.963 452 Q HN 0.549 nan 8.270 nan 0.000 0.471 453 S N -1.728 113.835 115.700 -0.228 0.000 2.893 453 S HA 0.048 4.518 4.470 0.000 0.000 0.258 453 S C 1.456 175.879 174.600 -0.295 0.000 1.034 453 S CA 0.158 58.237 58.200 -0.201 0.000 1.167 453 S CB 0.276 63.387 63.200 -0.150 0.000 1.137 453 S HN 0.212 nan 8.310 nan 0.000 0.650 454 S N 3.072 118.469 115.700 -0.505 0.000 2.493 454 S HA -0.135 4.335 4.470 0.000 0.000 0.243 454 S C 2.128 176.549 174.600 -0.298 0.000 0.991 454 S CA 0.916 58.709 58.200 -0.679 0.000 0.957 454 S CB -0.892 61.559 63.200 -1.247 0.000 0.756 454 S HN 0.725 nan 8.310 nan 0.000 0.521 455 M N 0.555 120.103 119.600 -0.087 0.000 2.446 455 M HA 0.082 4.562 4.480 0.000 0.000 0.263 455 M C 0.822 177.151 176.300 0.048 0.000 1.066 455 M CA 1.399 56.758 55.300 0.098 0.000 1.087 455 M CB -1.127 31.546 32.600 0.122 0.000 1.406 455 M HN 0.087 nan 8.290 nan 0.000 0.459 456 E N 1.423 121.589 120.200 -0.057 0.000 2.511 456 E HA 0.138 4.489 4.350 0.000 0.000 0.196 456 E C 2.168 178.711 176.600 -0.095 0.000 1.066 456 E CA 0.283 56.669 56.400 -0.024 0.000 0.871 456 E CB -0.482 29.214 29.700 -0.007 0.000 0.863 456 E HN 0.617 nan 8.360 nan 0.000 0.520 457 L N 0.832 121.873 121.223 -0.304 0.000 2.131 457 L HA -0.153 4.187 4.340 0.000 0.000 0.210 457 L C 2.555 179.322 176.870 -0.171 0.000 1.092 457 L CA 1.058 55.636 54.840 -0.435 0.000 0.759 457 L CB -0.166 41.218 42.059 -1.125 0.000 0.903 457 L HN 0.088 nan 8.230 nan 0.000 0.435 458 E N -0.048 120.195 120.200 0.071 0.000 2.072 458 E HA -0.180 4.170 4.350 0.000 0.000 0.191 458 E C 1.946 178.626 176.600 0.134 0.000 0.985 458 E CA 1.819 58.383 56.400 0.273 0.000 0.801 458 E CB 0.048 29.950 29.700 0.337 0.000 0.750 458 E HN 0.391 nan 8.360 nan 0.000 0.452 459 T N 1.003 115.620 114.554 0.105 0.000 2.746 459 T HA -0.086 4.264 4.350 0.000 0.000 0.267 459 T C 1.905 176.659 174.700 0.090 0.000 1.039 459 T CA 1.627 63.794 62.100 0.112 0.000 1.142 459 T CB -0.324 68.624 68.868 0.135 0.000 0.866 459 T HN 0.324 nan 8.240 nan 0.000 0.444 460 A N 0.948 123.791 122.820 0.038 0.000 1.902 460 A HA -0.051 4.269 4.320 0.000 0.000 0.217 460 A C 2.594 180.157 177.584 -0.034 0.000 1.181 460 A CA 1.377 53.404 52.037 -0.017 0.000 0.623 460 A CB -1.017 17.946 19.000 -0.061 0.000 0.818 460 A HN 0.354 nan 8.150 nan 0.000 0.443 461 V N -0.111 119.807 119.914 0.006 0.000 2.358 461 V HA -0.230 3.890 4.120 0.000 0.000 0.246 461 V C 2.635 178.754 176.094 0.041 0.000 1.047 461 V CA 2.177 64.492 62.300 0.025 0.000 1.035 461 V CB -0.772 31.098 31.823 0.078 0.000 0.658 461 V HN 0.627 nan 8.190 nan 0.000 0.452 462 R N -0.274 120.267 120.500 0.068 0.000 2.105 462 R HA -0.131 4.209 4.340 0.000 0.000 0.239 462 R C 2.116 178.469 176.300 0.089 0.000 1.135 462 R CA 1.563 57.710 56.100 0.078 0.000 0.967 462 R CB -0.188 30.167 30.300 0.092 0.000 0.861 462 R HN 0.456 nan 8.270 nan 0.000 0.442 463 L N 0.140 121.422 121.223 0.098 0.000 2.418 463 L HA 0.054 4.394 4.340 0.000 0.000 0.218 463 L C 0.574 177.509 176.870 0.109 0.000 1.125 463 L CA 0.522 55.458 54.840 0.159 0.000 0.835 463 L CB 0.034 42.247 42.059 0.256 0.000 0.953 463 L HN 0.162 nan 8.230 nan 0.000 0.454 464 K N -0.595 119.793 120.400 -0.021 0.000 3.192 464 K HA -0.153 4.167 4.320 0.000 0.000 0.278 464 K C 0.314 176.662 176.600 -0.421 0.000 1.164 464 K CA 0.321 56.553 56.287 -0.090 0.000 0.816 464 K CB -1.798 30.727 32.500 0.042 0.000 1.256 464 K HN 0.336 nan 8.250 nan 0.000 0.497 465 A N 1.415 123.798 122.820 -0.728 0.000 2.520 465 A HA 0.113 4.433 4.320 0.000 0.000 0.245 465 A C 0.505 177.390 177.584 -1.164 0.000 1.072 465 A CA 0.138 51.142 52.037 -1.722 0.000 0.761 465 A CB 0.142 18.614 19.000 -0.880 0.000 1.004 465 A HN 0.346 nan 8.150 nan 0.000 0.499 466 N N 2.282 120.099 118.700 -1.472 0.000 3.124 466 N HA 0.328 5.068 4.740 0.000 0.000 0.284 466 N C -1.053 174.249 175.510 -0.347 0.000 1.209 466 N CA 0.150 52.877 53.050 -0.537 0.000 1.149 466 N CB -0.104 38.298 38.487 -0.141 0.000 1.434 466 N HN 0.289 nan 8.380 nan 0.000 0.529 467 V N 2.428 122.179 119.914 -0.272 0.000 2.495 467 V HA 0.440 4.561 4.120 0.000 0.000 0.298 467 V C -0.514 175.572 176.094 -0.013 0.000 1.031 467 V CA -1.039 61.208 62.300 -0.090 0.000 0.871 467 V CB 1.719 33.507 31.823 -0.059 0.000 0.988 467 V HN 0.257 nan 8.190 nan 0.000 0.432 468 L N 4.701 125.941 121.223 0.029 0.000 2.319 468 L HA 0.609 4.949 4.340 0.000 0.000 0.281 468 L C -0.734 176.176 176.870 0.066 0.000 1.005 468 L CA -0.212 54.651 54.840 0.039 0.000 0.828 468 L CB 1.058 43.118 42.059 0.003 0.000 1.227 468 L HN 0.773 nan 8.230 nan 0.000 0.415 469 H N 4.794 123.868 119.070 0.006 0.000 2.476 469 H HA 0.644 5.200 4.556 0.000 0.000 0.328 469 H C -1.245 174.048 175.328 -0.059 0.000 1.073 469 H CA -0.409 55.639 56.048 -0.001 0.000 1.229 469 H CB 0.954 30.746 29.762 0.051 0.000 1.432 469 H HN 0.690 nan 8.280 nan 0.000 0.477 470 L N 6.468 127.357 121.223 -0.555 0.000 2.322 470 L HA 0.451 4.791 4.340 0.000 0.000 0.279 470 L C -0.430 176.141 176.870 -0.498 0.000 1.036 470 L CA -0.815 53.805 54.840 -0.367 0.000 0.807 470 L CB 1.700 43.652 42.059 -0.178 0.000 1.226 470 L HN 0.601 nan 8.230 nan 0.000 0.433 471 I N 0.883 121.247 120.570 -0.343 0.000 2.410 471 I HA 0.225 4.395 4.170 0.000 0.000 0.286 471 I C -1.147 174.870 176.117 -0.167 0.000 1.009 471 I CA -0.375 60.705 61.300 -0.366 0.000 1.111 471 I CB 1.571 39.137 38.000 -0.724 0.000 1.262 471 I HN 0.472 nan 8.210 nan 0.000 0.443 472 W N 6.370 127.432 121.300 -0.397 0.000 2.388 472 W HA 0.395 5.056 4.660 0.000 0.000 0.308 472 W C -0.302 176.086 176.519 -0.218 0.000 1.263 472 W CA -0.555 56.625 57.345 -0.274 0.000 1.286 472 W CB 0.771 30.136 29.460 -0.159 0.000 1.294 472 W HN 0.065 nan 8.180 nan 0.000 0.493 473 V N 5.681 125.557 119.914 -0.062 0.000 2.350 473 V HA 0.167 4.288 4.120 0.000 0.000 0.276 473 V C 0.528 176.597 176.094 -0.042 0.000 1.028 473 V CA -0.446 61.842 62.300 -0.020 0.000 0.860 473 V CB 1.435 33.264 31.823 0.010 0.000 0.990 473 V HN 0.633 nan 8.190 nan 0.000 0.453 474 D N 2.920 123.341 120.400 0.035 0.000 2.514 474 D HA 0.008 4.648 4.640 0.000 0.000 0.225 474 D C 0.322 176.603 176.300 -0.032 0.000 1.159 474 D CA -0.209 53.785 54.000 -0.009 0.000 0.823 474 D CB 0.185 41.063 40.800 0.131 0.000 1.097 474 D HN 0.464 nan 8.370 nan 0.000 0.519 475 N N 0.446 119.155 118.700 0.015 0.000 2.783 475 N HA -0.081 4.659 4.740 0.000 0.000 0.247 475 N C 0.170 175.137 175.510 -0.905 0.000 1.089 475 N CA 1.403 54.404 53.050 -0.081 0.000 0.690 475 N CB -1.360 37.125 38.487 -0.004 0.000 0.991 475 N HN 0.692 nan 8.380 nan 0.000 0.552 476 G N -1.443 106.625 108.800 -1.220 0.000 2.430 476 G HA2 0.447 4.407 3.960 0.000 0.000 0.300 476 G HA3 0.447 4.407 3.960 0.000 0.000 0.300 476 G C -1.681 172.812 174.900 -0.679 0.000 1.330 476 G CA -0.914 43.295 45.100 -1.485 0.000 0.813 476 G HN 0.069 nan 8.290 nan 0.000 0.487 477 Y N 1.458 121.655 120.300 -0.173 0.000 2.907 477 Y HA 0.240 4.790 4.550 0.000 0.000 0.332 477 Y C 1.630 177.527 175.900 -0.005 0.000 1.211 477 Y CA -0.474 57.653 58.100 0.046 0.000 1.387 477 Y CB 0.989 39.505 38.460 0.094 0.000 1.396 477 Y HN 0.629 nan 8.280 nan 0.000 0.519 478 N N 1.843 120.613 118.700 0.117 0.000 2.104 478 N HA -0.253 4.487 4.740 0.000 0.000 0.190 478 N C 1.981 177.448 175.510 -0.073 0.000 1.024 478 N CA 1.615 54.663 53.050 -0.003 0.000 0.853 478 N CB 0.022 38.435 38.487 -0.124 0.000 1.008 478 N HN 0.627 nan 8.380 nan 0.000 0.424 479 M N -0.482 119.072 119.600 -0.077 0.000 2.202 479 M HA -0.155 4.325 4.480 0.000 0.000 0.262 479 M C 1.351 177.604 176.300 -0.078 0.000 1.063 479 M CA 1.187 56.411 55.300 -0.126 0.000 1.097 479 M CB 0.111 32.615 32.600 -0.159 0.000 1.382 479 M HN 0.098 nan 8.290 nan 0.000 0.413 480 V N -0.293 119.612 119.914 -0.015 0.000 2.446 480 V HA -0.117 4.003 4.120 0.000 0.000 0.244 480 V C 2.508 178.611 176.094 0.014 0.000 1.039 480 V CA 1.516 63.814 62.300 -0.003 0.000 1.045 480 V CB -1.095 30.740 31.823 0.020 0.000 0.681 480 V HN 0.577 nan 8.190 nan 0.000 0.459 481 A N 1.217 124.055 122.820 0.030 0.000 1.908 481 A HA -0.217 4.104 4.320 0.000 0.000 0.218 481 A C 2.154 179.738 177.584 0.001 0.000 1.181 481 A CA 2.204 54.258 52.037 0.028 0.000 0.627 481 A CB -0.648 18.367 19.000 0.026 0.000 0.818 481 A HN 0.703 nan 8.150 nan 0.000 0.445 482 I N -3.061 117.489 120.570 -0.033 0.000 2.439 482 I HA -0.232 3.938 4.170 0.000 0.000 0.251 482 I C 2.125 178.204 176.117 -0.062 0.000 1.139 482 I CA 1.755 63.027 61.300 -0.046 0.000 1.438 482 I CB -0.633 37.323 38.000 -0.072 0.000 1.085 482 I HN 0.319 nan 8.210 nan 0.000 0.427 483 Q N 1.366 121.125 119.800 -0.069 0.000 2.123 483 Q HA -0.127 4.213 4.340 0.000 0.000 0.199 483 Q C 2.089 178.007 176.000 -0.136 0.000 0.966 483 Q CA 1.521 57.265 55.803 -0.098 0.000 0.845 483 Q CB -0.080 28.607 28.738 -0.085 0.000 0.907 483 Q HN 0.637 nan 8.270 nan 0.000 0.439 484 E N 0.978 121.148 120.200 -0.050 0.000 2.072 484 E HA -0.219 4.131 4.350 0.000 0.000 0.191 484 E C 1.923 178.498 176.600 -0.042 0.000 0.985 484 E CA 0.905 57.316 56.400 0.018 0.000 0.801 484 E CB 0.001 29.819 29.700 0.195 0.000 0.750 484 E HN 0.347 nan 8.360 nan 0.000 0.452 485 E N 1.443 121.634 120.200 -0.015 0.000 2.058 485 E HA -0.298 4.052 4.350 0.000 0.000 0.194 485 E C 2.065 178.628 176.600 -0.061 0.000 0.997 485 E CA 1.579 57.973 56.400 -0.010 0.000 0.801 485 E CB 0.049 29.748 29.700 -0.002 0.000 0.746 485 E HN -0.086 nan 8.360 nan 0.000 0.450 486 K N 0.906 121.246 120.400 -0.101 0.000 2.026 486 K HA -0.147 4.173 4.320 0.000 0.000 0.208 486 K C 1.914 178.402 176.600 -0.188 0.000 1.048 486 K CA 1.887 58.104 56.287 -0.117 0.000 0.929 486 K CB 0.024 32.456 32.500 -0.113 0.000 0.713 486 K HN 0.037 nan 8.250 nan 0.000 0.439 487 K N -1.483 118.697 120.400 -0.367 0.000 2.186 487 K HA -0.023 4.298 4.320 0.000 0.000 0.202 487 K C 1.381 177.638 176.600 -0.571 0.000 1.052 487 K CA 1.274 57.203 56.287 -0.596 0.000 0.965 487 K CB 0.137 32.025 32.500 -1.019 0.000 0.746 487 K HN 0.278 nan 8.250 nan 0.000 0.457 488 Y N -0.506 119.792 120.300 -0.002 0.000 2.432 488 Y HA 0.191 4.741 4.550 0.000 0.000 0.252 488 Y C 0.154 176.056 175.900 0.003 0.000 1.097 488 Y CA -0.643 57.457 58.100 0.000 0.000 1.250 488 Y CB 0.706 39.166 38.460 0.000 0.000 1.245 488 Y HN -0.071 nan 8.280 nan 0.000 0.522 489 Q N 1.158 121.007 119.800 0.082 0.000 2.494 489 Q HA -0.228 4.112 4.340 0.000 0.000 0.266 489 Q C -0.472 175.575 176.000 0.078 0.000 1.053 489 Q CA 1.028 56.866 55.803 0.059 0.000 1.029 489 Q CB -1.044 27.722 28.738 0.047 0.000 1.423 489 Q HN 0.716 nan 8.270 nan 0.000 0.516 490 R N -1.613 118.955 120.500 0.113 0.000 2.690 490 R HA 0.734 5.074 4.340 0.000 0.000 0.269 490 R C -1.311 175.054 176.300 0.109 0.000 1.037 490 R CA -1.080 55.075 56.100 0.092 0.000 0.877 490 R CB 1.092 31.439 30.300 0.077 0.000 1.255 490 R HN 0.004 nan 8.270 nan 0.000 0.467 491 L N 1.053 122.320 121.223 0.074 0.000 2.330 491 L HA 0.737 5.077 4.340 0.000 0.000 0.271 491 L C -0.432 176.471 176.870 0.056 0.000 1.013 491 L CA -1.063 53.821 54.840 0.073 0.000 0.816 491 L CB 2.196 44.286 42.059 0.052 0.000 1.287 491 L HN 0.977 nan 8.230 nan 0.000 0.435 492 S N -1.037 114.700 115.700 0.062 0.000 2.603 492 S HA 0.563 5.033 4.470 0.000 0.000 0.274 492 S C 0.225 174.866 174.600 0.069 0.000 1.168 492 S CA -0.176 58.051 58.200 0.046 0.000 0.963 492 S CB 1.566 64.774 63.200 0.013 0.000 1.078 492 S HN 1.154 nan 8.310 nan 0.000 0.477 493 G N 1.289 110.137 108.800 0.080 0.000 2.233 493 G HA2 -0.265 3.695 3.960 0.000 0.000 0.270 493 G HA3 -0.265 3.695 3.960 0.000 0.000 0.270 493 G C 0.521 175.548 174.900 0.211 0.000 1.011 493 G CA 0.785 45.961 45.100 0.127 0.000 0.762 493 G HN 2.100 nan 8.290 nan 0.000 0.511 494 V N -3.767 116.244 119.914 0.162 0.000 3.380 494 V HA 0.571 4.691 4.120 0.000 0.000 0.307 494 V C 0.325 176.389 176.094 -0.050 0.000 1.434 494 V CA 0.271 62.686 62.300 0.193 0.000 1.075 494 V CB 0.253 32.159 31.823 0.138 0.000 0.954 494 V HN 0.332 nan 8.190 nan 0.000 0.444 495 E N 1.535 121.697 120.200 -0.063 0.000 2.210 495 E HA 0.700 5.050 4.350 0.000 0.000 0.266 495 E C -1.180 175.359 176.600 -0.101 0.000 0.883 495 E CA -0.640 55.636 56.400 -0.207 0.000 0.761 495 E CB 2.208 31.858 29.700 -0.083 0.000 1.156 495 E HN 0.509 nan 8.360 nan 0.000 0.412 496 F N -0.438 119.486 119.950 -0.043 0.000 2.706 496 F HA 0.779 5.306 4.527 0.000 0.000 0.328 496 F C 0.473 176.260 175.800 -0.022 0.000 1.123 496 F CA -1.456 56.522 58.000 -0.038 0.000 0.978 496 F CB -0.047 38.905 39.000 -0.080 0.000 1.404 496 F HN 0.393 nan 8.300 nan 0.000 0.497 497 G N 0.300 109.297 108.800 0.328 0.000 2.634 497 G HA2 0.535 4.495 3.960 0.000 0.000 0.255 497 G HA3 0.535 4.495 3.960 0.000 0.000 0.255 497 G C -2.733 172.289 174.900 0.203 0.000 1.205 497 G CA -1.289 43.922 45.100 0.185 0.000 0.884 497 G HN 0.649 nan 8.290 nan 0.000 0.549 498 P HA 0.473 nan 4.420 nan 0.000 0.280 498 P C -0.769 176.492 177.300 -0.064 0.000 1.272 498 P CA -0.402 62.736 63.100 0.062 0.000 0.819 498 P CB 1.677 33.401 31.700 0.041 0.000 1.122 499 M N -0.061 119.413 119.600 -0.210 0.000 2.569 499 M HA 0.241 4.721 4.480 0.000 0.000 0.279 499 M C -0.907 175.097 176.300 -0.493 0.000 1.253 499 M CA -0.590 54.422 55.300 -0.480 0.000 0.867 499 M CB 2.449 34.471 32.600 -0.963 0.000 1.727 499 M HN 0.212 nan 8.290 nan 0.000 0.467 500 D N 0.956 121.144 120.400 -0.352 0.000 2.499 500 D HA 0.279 4.919 4.640 0.000 0.000 0.225 500 D C 0.023 176.247 176.300 -0.126 0.000 1.124 500 D CA -0.150 53.758 54.000 -0.153 0.000 0.938 500 D CB 0.051 40.822 40.800 -0.048 0.000 1.014 500 D HN 0.411 nan 8.370 nan 0.000 0.517 501 F N 1.661 121.647 119.950 0.059 0.000 2.408 501 F HA -0.045 4.482 4.527 0.000 0.000 0.300 501 F C 2.414 178.295 175.800 0.135 0.000 1.090 501 F CA 0.552 58.594 58.000 0.071 0.000 1.427 501 F CB 0.046 38.989 39.000 -0.095 0.000 1.070 501 F HN 0.294 nan 8.300 nan 0.000 0.549 502 K N 0.937 121.471 120.400 0.224 0.000 2.001 502 K HA -0.128 4.192 4.320 0.000 0.000 0.208 502 K C 2.317 178.994 176.600 0.127 0.000 1.048 502 K CA 1.264 57.636 56.287 0.140 0.000 0.932 502 K CB -0.308 32.231 32.500 0.065 0.000 0.715 502 K HN 0.161 nan 8.250 nan 0.000 0.437 503 A N 0.073 122.960 122.820 0.110 0.000 1.969 503 A HA -0.158 4.162 4.320 0.000 0.000 0.218 503 A C 2.019 179.695 177.584 0.153 0.000 1.169 503 A CA 1.159 53.247 52.037 0.086 0.000 0.635 503 A CB -0.799 18.229 19.000 0.046 0.000 0.810 503 A HN 0.586 nan 8.150 nan 0.000 0.445 504 Y N 0.592 120.966 120.300 0.124 0.000 2.114 504 Y HA -0.148 4.402 4.550 0.000 0.000 0.284 504 Y C 2.673 178.809 175.900 0.393 0.000 1.143 504 Y CA 1.629 59.871 58.100 0.237 0.000 1.135 504 Y CB -0.402 38.242 38.460 0.306 0.000 0.980 504 Y HN 0.312 nan 8.280 nan 0.000 0.499 505 A N 0.169 123.305 122.820 0.528 0.000 1.902 505 A HA -0.193 4.128 4.320 0.000 0.000 0.217 505 A C 2.028 179.786 177.584 0.289 0.000 1.181 505 A CA 1.869 54.159 52.037 0.422 0.000 0.623 505 A CB -0.701 18.483 19.000 0.306 0.000 0.818 505 A HN 0.648 nan 8.150 nan 0.000 0.443 506 E N 0.399 120.699 120.200 0.166 0.000 2.150 506 E HA -0.150 4.200 4.350 0.000 0.000 0.193 506 E C 2.262 178.897 176.600 0.058 0.000 0.985 506 E CA 1.264 57.711 56.400 0.078 0.000 0.814 506 E CB -0.231 29.477 29.700 0.014 0.000 0.752 506 E HN 0.804 nan 8.360 nan 0.000 0.466 507 S N 0.492 116.205 115.700 0.022 0.000 2.419 507 S HA -0.158 4.312 4.470 0.000 0.000 0.235 507 S C 1.705 176.200 174.600 -0.177 0.000 1.019 507 S CA 0.816 58.940 58.200 -0.126 0.000 0.982 507 S CB -0.442 62.595 63.200 -0.272 0.000 0.789 507 S HN 0.168 nan 8.310 nan 0.000 0.490 508 F N 1.998 121.894 119.950 -0.089 0.000 2.512 508 F HA 0.347 4.874 4.527 0.000 0.000 0.296 508 F C 2.205 177.988 175.800 -0.029 0.000 1.110 508 F CA 0.523 58.486 58.000 -0.063 0.000 1.446 508 F CB -0.246 38.730 39.000 -0.041 0.000 1.092 508 F HN 0.470 nan 8.300 nan 0.000 0.554 509 G N -0.306 108.585 108.800 0.152 0.000 2.168 509 G HA2 -0.030 3.930 3.960 0.000 0.000 0.197 509 G HA3 -0.030 3.930 3.960 0.000 0.000 0.197 509 G C 0.205 175.158 174.900 0.089 0.000 0.997 509 G CA -0.261 44.891 45.100 0.087 0.000 0.658 509 G HN 0.580 nan 8.290 nan 0.000 0.513 510 A N -0.094 122.801 122.820 0.125 0.000 2.252 510 A HA 0.783 5.103 4.320 0.000 0.000 0.305 510 A C 0.274 177.903 177.584 0.076 0.000 1.097 510 A CA -0.452 51.641 52.037 0.094 0.000 0.849 510 A CB 0.727 19.785 19.000 0.097 0.000 1.142 510 A HN 0.117 nan 8.150 nan 0.000 0.499 511 K N 0.778 121.226 120.400 0.080 0.000 2.276 511 K HA 0.437 4.757 4.320 0.000 0.000 0.285 511 K C 0.157 176.769 176.600 0.020 0.000 1.062 511 K CA 0.138 56.438 56.287 0.021 0.000 0.918 511 K CB 0.995 33.576 32.500 0.135 0.000 1.055 511 K HN 0.784 nan 8.250 nan 0.000 0.477 512 G N 2.225 110.913 108.800 -0.187 0.000 2.400 512 G HA2 0.728 4.688 3.960 0.000 0.000 0.333 512 G HA3 0.728 4.688 3.960 0.000 0.000 0.333 512 G C -1.187 173.468 174.900 -0.409 0.000 1.143 512 G CA -0.438 44.609 45.100 -0.087 0.000 0.914 512 G HN 0.322 nan 8.290 nan 0.000 0.480 513 F N -0.040 119.941 119.950 0.052 0.000 2.591 513 F HA 0.675 5.202 4.527 0.000 0.000 0.309 513 F C 0.135 175.954 175.800 0.033 0.000 1.098 513 F CA -0.948 57.069 58.000 0.029 0.000 0.937 513 F CB 2.810 41.813 39.000 0.005 0.000 1.250 513 F HN 0.679 nan 8.300 nan 0.000 0.447 514 A N 2.163 125.107 122.820 0.207 0.000 2.410 514 A HA 0.683 5.003 4.320 0.000 0.000 0.289 514 A C -1.240 176.412 177.584 0.113 0.000 1.200 514 A CA -0.714 51.411 52.037 0.146 0.000 0.751 514 A CB 0.643 19.721 19.000 0.130 0.000 1.161 514 A HN 0.539 nan 8.150 nan 0.000 0.459 515 V N 3.145 123.113 119.914 0.090 0.000 2.485 515 V HA 0.040 4.160 4.120 0.000 0.000 0.287 515 V C 0.865 177.014 176.094 0.091 0.000 1.022 515 V CA 0.800 63.137 62.300 0.060 0.000 1.067 515 V CB 0.301 32.146 31.823 0.038 0.000 0.967 515 V HN 0.992 nan 8.190 nan 0.000 0.479 516 E N 2.609 122.761 120.200 -0.080 0.000 2.526 516 E HA 0.187 4.537 4.350 0.000 0.000 0.208 516 E C 0.298 176.289 176.600 -1.015 0.000 0.997 516 E CA 0.180 56.401 56.400 -0.298 0.000 0.961 516 E CB 0.849 30.447 29.700 -0.170 0.000 1.030 516 E HN 0.820 nan 8.360 nan 0.000 0.483 517 S N -1.596 113.624 115.700 -0.799 0.000 2.567 517 S HA 0.535 5.005 4.470 0.000 0.000 0.270 517 S C 0.556 174.996 174.600 -0.265 0.000 1.152 517 S CA -0.382 57.330 58.200 -0.813 0.000 0.835 517 S CB 1.340 64.266 63.200 -0.457 0.000 1.115 517 S HN -0.040 nan 8.310 nan 0.000 0.459 518 A N 1.442 124.207 122.820 -0.091 0.000 1.877 518 A HA -0.087 4.233 4.320 0.000 0.000 0.216 518 A C 1.986 179.534 177.584 -0.061 0.000 1.186 518 A CA 1.848 53.883 52.037 -0.004 0.000 0.620 518 A CB -1.358 17.653 19.000 0.018 0.000 0.822 518 A HN 1.086 nan 8.150 nan 0.000 0.443 519 E N -0.065 120.087 120.200 -0.080 0.000 2.265 519 E HA -0.017 4.333 4.350 0.000 0.000 0.196 519 E C 1.633 178.186 176.600 -0.078 0.000 0.996 519 E CA 1.046 57.402 56.400 -0.074 0.000 0.832 519 E CB -0.298 29.359 29.700 -0.071 0.000 0.756 519 E HN 0.482 nan 8.360 nan 0.000 0.491 520 A N 0.901 123.666 122.820 -0.093 0.000 2.169 520 A HA 0.076 4.396 4.320 0.000 0.000 0.212 520 A C 1.974 179.514 177.584 -0.073 0.000 1.153 520 A CA 0.371 52.360 52.037 -0.079 0.000 0.756 520 A CB -0.346 18.601 19.000 -0.089 0.000 0.813 520 A HN 0.323 nan 8.150 nan 0.000 0.471 521 L N 0.516 121.692 121.223 -0.078 0.000 1.944 521 L HA -0.195 4.145 4.340 0.000 0.000 0.218 521 L C 2.102 178.910 176.870 -0.103 0.000 1.075 521 L CA 2.797 57.581 54.840 -0.092 0.000 0.767 521 L CB -0.923 41.074 42.059 -0.103 0.000 0.890 521 L HN 0.383 nan 8.230 nan 0.000 0.434 522 E N -0.163 119.980 120.200 -0.094 0.000 2.049 522 E HA -0.195 4.155 4.350 0.000 0.000 0.198 522 E C -0.104 176.439 176.600 -0.094 0.000 1.007 522 E CA 2.298 58.643 56.400 -0.091 0.000 0.809 522 E CB -1.722 27.932 29.700 -0.077 0.000 0.749 522 E HN 0.470 nan 8.360 nan 0.000 0.450 523 P HA -0.110 nan 4.420 nan 0.000 0.216 523 P C 1.096 178.329 177.300 -0.112 0.000 1.150 523 P CA 1.611 64.665 63.100 -0.076 0.000 0.837 523 P CB 0.005 31.674 31.700 -0.052 0.000 0.786 524 T N -0.490 113.987 114.554 -0.128 0.000 2.821 524 T HA -0.070 4.280 4.350 0.000 0.000 0.267 524 T C 1.714 176.180 174.700 -0.390 0.000 1.046 524 T CA 0.986 62.953 62.100 -0.221 0.000 1.139 524 T CB -0.815 67.978 68.868 -0.125 0.000 0.871 524 T HN 0.066 nan 8.240 nan 0.000 0.454 525 L N 0.346 121.415 121.223 -0.256 0.000 2.093 525 L HA -0.046 4.294 4.340 0.000 0.000 0.208 525 L C 2.841 179.577 176.870 -0.224 0.000 1.085 525 L CA 1.060 55.756 54.840 -0.241 0.000 0.755 525 L CB -0.372 41.597 42.059 -0.151 0.000 0.904 525 L HN 0.105 nan 8.230 nan 0.000 0.435 526 R N 0.682 121.077 120.500 -0.176 0.000 2.066 526 R HA -0.092 4.248 4.340 0.000 0.000 0.232 526 R C 2.300 178.512 176.300 -0.146 0.000 1.131 526 R CA 1.664 57.689 56.100 -0.126 0.000 0.955 526 R CB -0.689 29.561 30.300 -0.084 0.000 0.851 526 R HN 0.278 nan 8.270 nan 0.000 0.432 527 A N 0.148 122.853 122.820 -0.192 0.000 1.940 527 A HA -0.119 4.201 4.320 0.000 0.000 0.219 527 A C 2.325 179.768 177.584 -0.235 0.000 1.176 527 A CA 1.969 53.914 52.037 -0.153 0.000 0.631 527 A CB -1.008 17.938 19.000 -0.091 0.000 0.814 527 A HN 0.498 nan 8.150 nan 0.000 0.446 528 A N -1.238 121.256 122.820 -0.542 0.000 1.897 528 A HA -0.022 4.298 4.320 0.000 0.000 0.215 528 A C 2.157 179.657 177.584 -0.139 0.000 1.181 528 A CA 1.712 53.487 52.037 -0.436 0.000 0.620 528 A CB -0.430 18.215 19.000 -0.592 0.000 0.821 528 A HN 0.402 nan 8.150 nan 0.000 0.443 529 M N 0.143 119.665 119.600 -0.131 0.000 2.159 529 M HA -0.122 4.358 4.480 0.000 0.000 0.263 529 M C 0.945 177.233 176.300 -0.021 0.000 1.063 529 M CA 1.316 56.583 55.300 -0.056 0.000 1.110 529 M CB -1.285 31.285 32.600 -0.050 0.000 1.374 529 M HN 0.312 nan 8.290 nan 0.000 0.411 530 D N 0.072 120.458 120.400 -0.024 0.000 2.348 530 D HA -0.001 4.639 4.640 0.000 0.000 0.216 530 D C 0.359 176.678 176.300 0.030 0.000 0.970 530 D CA 0.235 54.239 54.000 0.007 0.000 0.889 530 D CB 0.087 40.892 40.800 0.007 0.000 0.912 530 D HN 0.095 nan 8.370 nan 0.000 0.524 531 V N 1.586 121.524 119.914 0.040 0.000 2.521 531 V HA -0.055 4.065 4.120 0.000 0.000 0.286 531 V C 0.359 176.477 176.094 0.040 0.000 1.034 531 V CA -0.275 62.064 62.300 0.065 0.000 1.045 531 V CB 1.137 33.028 31.823 0.113 0.000 0.974 531 V HN -0.036 nan 8.190 nan 0.000 0.480 532 D N 4.188 124.611 120.400 0.039 0.000 2.483 532 D HA 0.528 5.168 4.640 0.000 0.000 0.220 532 D C 0.347 176.651 176.300 0.006 0.000 1.173 532 D CA 1.164 55.182 54.000 0.030 0.000 0.964 532 D CB -0.135 40.692 40.800 0.044 0.000 1.046 532 D HN 0.881 nan 8.370 nan 0.000 0.517 533 G N 2.668 111.447 108.800 -0.035 0.000 2.340 533 G HA2 0.050 4.010 3.960 0.000 0.000 0.282 533 G HA3 0.050 4.010 3.960 0.000 0.000 0.282 533 G C -2.983 171.868 174.900 -0.082 0.000 1.312 533 G CA -1.119 43.929 45.100 -0.086 0.000 0.942 533 G HN 0.191 nan 8.290 nan 0.000 0.495 534 P HA 0.502 nan 4.420 nan 0.000 0.268 534 P C -0.279 177.047 177.300 0.044 0.000 1.204 534 P CA 0.760 63.837 63.100 -0.039 0.000 0.768 534 P CB 1.385 33.058 31.700 -0.045 0.000 0.842 535 A N 2.475 125.343 122.820 0.080 0.000 2.547 535 A HA 0.653 4.973 4.320 0.000 0.000 0.297 535 A C -1.456 176.231 177.584 0.172 0.000 1.056 535 A CA -0.509 51.630 52.037 0.169 0.000 0.688 535 A CB 1.291 20.410 19.000 0.198 0.000 1.282 535 A HN 0.272 nan 8.150 nan 0.000 0.400 536 V N 1.314 121.368 119.914 0.232 0.000 2.709 536 V HA 0.640 4.760 4.120 0.000 0.000 0.308 536 V C -0.705 175.507 176.094 0.196 0.000 1.062 536 V CA -0.622 61.784 62.300 0.176 0.000 0.901 536 V CB 1.825 33.745 31.823 0.161 0.000 1.003 536 V HN 0.760 nan 8.190 nan 0.000 0.425 537 V N 3.383 123.328 119.914 0.051 0.000 2.407 537 V HA 0.737 4.857 4.120 0.000 0.000 0.291 537 V C 0.330 176.372 176.094 -0.086 0.000 1.018 537 V CA -0.580 61.739 62.300 0.032 0.000 0.842 537 V CB 1.742 33.524 31.823 -0.069 0.000 0.996 537 V HN 1.019 nan 8.190 nan 0.000 0.426 538 A N 6.685 129.479 122.820 -0.043 0.000 2.289 538 A HA 0.838 5.158 4.320 0.000 0.000 0.298 538 A C -0.421 177.112 177.584 -0.086 0.000 1.208 538 A CA -0.260 51.698 52.037 -0.131 0.000 0.845 538 A CB 0.145 19.168 19.000 0.039 0.000 1.125 538 A HN 0.801 nan 8.150 nan 0.000 0.517 539 I N 4.132 124.600 120.570 -0.171 0.000 2.466 539 I HA 0.254 4.424 4.170 0.000 0.000 0.279 539 I C -2.561 173.415 176.117 -0.236 0.000 1.033 539 I CA -2.077 59.104 61.300 -0.199 0.000 1.123 539 I CB 2.020 39.812 38.000 -0.347 0.000 1.237 539 I HN 0.368 nan 8.210 nan 0.000 0.460 540 P HA 0.005 nan 4.420 nan 0.000 0.264 540 P C -0.564 176.485 177.300 -0.419 0.000 1.193 540 P CA 0.184 63.125 63.100 -0.265 0.000 0.763 540 P CB 0.964 32.473 31.700 -0.318 0.000 0.810 541 V N 3.339 122.988 119.914 -0.442 0.000 2.769 541 V HA 0.441 4.561 4.120 0.000 0.000 0.312 541 V C -1.010 174.769 176.094 -0.526 0.000 1.061 541 V CA -0.706 61.251 62.300 -0.572 0.000 0.931 541 V CB 2.220 33.603 31.823 -0.734 0.000 1.010 541 V HN 0.347 nan 8.190 nan 0.000 0.433 542 D N 3.983 124.105 120.400 -0.465 0.000 2.454 542 D HA 0.264 4.904 4.640 0.000 0.000 0.225 542 D C 0.012 176.191 176.300 -0.201 0.000 1.081 542 D CA 0.035 53.862 54.000 -0.288 0.000 0.864 542 D CB 0.725 41.391 40.800 -0.224 0.000 1.040 542 D HN 0.627 nan 8.370 nan 0.000 0.517 543 Y N 2.220 122.489 120.300 -0.051 0.000 2.471 543 Y HA 0.051 4.601 4.550 0.000 0.000 0.286 543 Y C 2.323 178.260 175.900 0.061 0.000 1.188 543 Y CA -0.410 57.714 58.100 0.040 0.000 1.286 543 Y CB 0.409 38.931 38.460 0.104 0.000 1.072 543 Y HN 0.348 nan 8.280 nan 0.000 0.517 544 R N 0.768 121.361 120.500 0.154 0.000 2.139 544 R HA -0.202 4.138 4.340 0.000 0.000 0.243 544 R C 0.746 177.136 176.300 0.150 0.000 1.145 544 R CA 2.093 58.265 56.100 0.120 0.000 0.976 544 R CB -0.077 30.265 30.300 0.069 0.000 0.866 544 R HN 0.193 nan 8.270 nan 0.000 0.449 545 D N -0.206 120.304 120.400 0.183 0.000 2.340 545 D HA -0.002 4.638 4.640 0.000 0.000 0.220 545 D C 0.753 177.262 176.300 0.349 0.000 1.039 545 D CA 0.150 54.306 54.000 0.262 0.000 0.866 545 D CB -0.061 40.936 40.800 0.329 0.000 0.913 545 D HN 0.218 nan 8.370 nan 0.000 0.523 546 N N 0.792 119.702 118.700 0.351 0.000 2.137 546 N HA -0.121 4.619 4.740 0.000 0.000 0.190 546 N C -1.066 174.495 175.510 0.085 0.000 1.017 546 N CA 0.938 54.150 53.050 0.270 0.000 0.859 546 N CB -1.160 37.428 38.487 0.168 0.000 1.002 546 N HN 0.282 nan 8.380 nan 0.000 0.428 547 P HA -0.082 nan 4.420 nan 0.000 0.218 547 P C 1.389 178.707 177.300 0.031 0.000 1.148 547 P CA 0.842 63.965 63.100 0.037 0.000 0.822 547 P CB 0.022 31.750 31.700 0.048 0.000 0.784 548 L N -2.015 119.250 121.223 0.069 0.000 2.217 548 L HA -0.107 4.233 4.340 0.000 0.000 0.211 548 L C 2.213 179.083 176.870 0.001 0.000 1.107 548 L CA 0.785 55.663 54.840 0.063 0.000 0.783 548 L CB -0.683 41.454 42.059 0.130 0.000 0.919 548 L HN 0.049 nan 8.230 nan 0.000 0.442 549 L N -0.717 120.455 121.223 -0.084 0.000 2.127 549 L HA -0.050 4.290 4.340 0.000 0.000 0.203 549 L C 2.389 179.184 176.870 -0.126 0.000 1.080 549 L CA 1.395 56.097 54.840 -0.229 0.000 0.768 549 L CB -0.285 41.357 42.059 -0.695 0.000 0.924 549 L HN 0.083 nan 8.230 nan 0.000 0.444 550 M N -0.164 119.367 119.600 -0.114 0.000 2.267 550 M HA -0.046 4.434 4.480 0.000 0.000 0.263 550 M C 2.174 178.447 176.300 -0.044 0.000 1.063 550 M CA 1.316 56.566 55.300 -0.085 0.000 1.090 550 M CB -2.286 30.265 32.600 -0.081 0.000 1.392 550 M HN 0.409 nan 8.290 nan 0.000 0.422 551 G N -0.396 108.389 108.800 -0.026 0.000 2.559 551 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 551 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 551 G C 1.462 176.362 174.900 0.001 0.000 1.126 551 G CA 0.235 45.330 45.100 -0.009 0.000 0.778 551 G HN 0.569 nan 8.290 nan 0.000 0.543 552 Q N -0.624 119.185 119.800 0.016 0.000 2.360 552 Q HA 0.305 4.645 4.340 0.000 0.000 0.202 552 Q C 0.401 176.458 176.000 0.096 0.000 0.915 552 Q CA -0.242 55.601 55.803 0.066 0.000 0.943 552 Q CB 0.415 29.201 28.738 0.081 0.000 1.064 552 Q HN 0.378 nan 8.270 nan 0.000 0.511 553 L N 0.837 122.057 121.223 -0.005 0.000 2.379 553 L HA 0.239 4.580 4.340 0.000 0.000 0.269 553 L C 0.782 177.597 176.870 -0.092 0.000 1.084 553 L CA -0.892 53.869 54.840 -0.131 0.000 0.802 553 L CB 0.557 42.522 42.059 -0.155 0.000 1.175 553 L HN 0.199 nan 8.230 nan 0.000 0.448 554 H N 0.000 119.052 119.070 -0.029 0.000 2.539 554 H HA 0.000 4.556 4.556 0.000 0.000 0.296 554 H CA 0.000 56.054 56.048 0.010 0.000 1.023 554 H CB 0.000 29.786 29.762 0.041 0.000 1.292 554 H HN 0.000 nan 8.280 nan 0.000 0.496