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 1ozg_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 PVSGKVLPAS XAPQMGAAPD DAIDQVAKLI DATA SEQUENCE AQAKNPIFLL GLMASQPENS KALRRLLETS HIPVTSTYQA AGAVNQDNFS DATA SEQUENCE RFAGRVGLFN NQAGDRLLQL ADLVICIGYS PVEYEPAMWN SGNATLVHID DATA SEQUENCE VLPAYEERNY TPDVELVGDI AGTLNKLAQN IDHRLVLSPQ AAEILRDRQH DATA SEQUENCE QRELLDRRXA 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 0.000 175.927 175.900 0.046 0.000 1.272 5 Y CA 0.000 58.126 58.100 0.044 0.000 1.940 5 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 6 P HA 0.355 nan 4.420 nan 0.000 0.280 6 P C -0.260 177.105 177.300 0.108 0.000 1.272 6 P CA -0.419 62.747 63.100 0.110 0.000 0.819 6 P CB 2.089 33.825 31.700 0.060 0.000 1.122 7 V N 1.820 121.782 119.914 0.079 0.000 2.521 7 V HA 0.156 4.276 4.120 0.000 0.000 0.286 7 V C 1.100 177.217 176.094 0.038 0.000 1.034 7 V CA 0.308 62.661 62.300 0.088 0.000 1.045 7 V CB -0.495 31.366 31.823 0.063 0.000 0.974 7 V HN 0.522 nan 8.190 nan 0.000 0.480 8 R N 3.120 123.650 120.500 0.050 0.000 2.912 8 R HA 0.565 4.905 4.340 0.000 0.000 0.262 8 R C -1.114 175.074 176.300 -0.187 0.000 1.057 8 R CA -1.037 54.948 56.100 -0.191 0.000 0.981 8 R CB 1.501 31.456 30.300 -0.576 0.000 1.201 8 R HN 0.518 nan 8.270 nan 0.000 0.484 9 Q N 1.157 120.772 119.800 -0.307 0.000 2.431 9 Q HA 0.180 4.520 4.340 0.000 0.000 0.249 9 Q C -1.243 174.602 176.000 -0.260 0.000 1.025 9 Q CA -0.070 55.639 55.803 -0.157 0.000 0.835 9 Q CB 0.937 29.609 28.738 -0.110 0.000 1.207 9 Q HN 0.353 nan 8.270 nan 0.000 0.490 10 W N 0.561 121.844 121.300 -0.029 0.000 2.316 10 W HA 0.421 5.081 4.660 -0.000 0.000 0.321 10 W C 1.249 177.727 176.519 -0.068 0.000 1.203 10 W CA -0.509 56.819 57.345 -0.028 0.000 1.214 10 W CB 0.771 30.224 29.460 -0.012 0.000 1.169 10 W HN 0.675 nan 8.180 nan 0.000 0.561 11 A N 2.000 124.880 122.820 0.101 0.000 1.898 11 A HA -0.070 4.250 4.320 0.000 0.000 0.216 11 A C -0.010 177.318 177.584 -0.426 0.000 1.181 11 A CA 1.356 53.283 52.037 -0.183 0.000 0.620 11 A CB -0.687 18.203 19.000 -0.183 0.000 0.819 11 A HN 0.726 nan 8.150 nan 0.000 0.442 12 H N -3.892 115.270 119.070 0.152 0.000 2.806 12 H HA 0.500 5.056 4.556 0.000 0.000 0.367 12 H C 1.210 176.579 175.328 0.069 0.000 1.136 12 H CA -0.372 55.732 56.048 0.093 0.000 1.178 12 H CB 1.358 31.158 29.762 0.064 0.000 1.718 12 H HN 0.054 nan 8.280 nan 0.000 0.540 13 G N 0.976 109.850 108.800 0.122 0.000 2.450 13 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 13 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 13 G C 1.666 176.532 174.900 -0.057 0.000 1.130 13 G CA 0.969 46.065 45.100 -0.006 0.000 0.760 13 G HN 0.712 nan 8.290 nan 0.000 0.557 14 A N 1.267 124.098 122.820 0.018 0.000 1.940 14 A HA -0.120 4.200 4.320 0.000 0.000 0.219 14 A C 2.084 179.631 177.584 -0.060 0.000 1.176 14 A CA 2.139 54.159 52.037 -0.029 0.000 0.631 14 A CB -0.378 18.615 19.000 -0.011 0.000 0.814 14 A HN 0.329 nan 8.150 nan 0.000 0.446 15 D N -0.487 119.926 120.400 0.022 0.000 2.144 15 D HA -0.119 4.521 4.640 0.000 0.000 0.200 15 D C 1.830 177.957 176.300 -0.289 0.000 0.978 15 D CA 1.276 55.308 54.000 0.054 0.000 0.833 15 D CB -0.411 40.618 40.800 0.381 0.000 0.961 15 D HN 0.393 nan 8.370 nan 0.000 0.470 16 L N 0.898 121.715 121.223 -0.675 0.000 2.093 16 L HA -0.110 4.230 4.340 0.000 0.000 0.208 16 L C 2.197 178.677 176.870 -0.650 0.000 1.085 16 L CA 1.181 55.246 54.840 -1.292 0.000 0.755 16 L CB -0.442 40.817 42.059 -1.334 0.000 0.904 16 L HN -0.165 nan 8.230 nan 0.000 0.435 17 V N -1.081 118.600 119.914 -0.388 0.000 2.287 17 V HA -0.297 3.823 4.120 0.000 0.000 0.248 17 V C 2.535 178.497 176.094 -0.220 0.000 1.053 17 V CA 1.782 63.931 62.300 -0.252 0.000 1.027 17 V CB -0.662 31.059 31.823 -0.170 0.000 0.646 17 V HN 0.339 nan 8.190 nan 0.000 0.447 18 V N -0.181 119.617 119.914 -0.193 0.000 2.332 18 V HA -0.265 3.855 4.120 0.000 0.000 0.248 18 V C 2.582 178.583 176.094 -0.154 0.000 1.055 18 V CA 2.387 64.600 62.300 -0.145 0.000 1.038 18 V CB -0.726 31.040 31.823 -0.095 0.000 0.651 18 V HN 0.551 nan 8.190 nan 0.000 0.450 19 S N -0.783 114.798 115.700 -0.199 0.000 2.368 19 S HA -0.285 4.185 4.470 0.000 0.000 0.225 19 S C 2.015 176.469 174.600 -0.242 0.000 1.030 19 S CA 1.784 59.878 58.200 -0.177 0.000 0.999 19 S CB -0.335 62.753 63.200 -0.187 0.000 0.844 19 S HN 0.601 nan 8.310 nan 0.000 0.459 20 Q N 1.299 120.920 119.800 -0.299 0.000 2.124 20 Q HA 0.033 4.373 4.340 0.000 0.000 0.202 20 Q C 1.909 177.730 176.000 -0.297 0.000 0.977 20 Q CA 1.374 56.998 55.803 -0.298 0.000 0.850 20 Q CB -0.523 28.054 28.738 -0.268 0.000 0.901 20 Q HN 0.523 nan 8.270 nan 0.000 0.429 21 L N 0.012 121.092 121.223 -0.239 0.000 2.046 21 L HA -0.193 4.147 4.340 0.000 0.000 0.208 21 L C 2.285 179.026 176.870 -0.214 0.000 1.077 21 L CA 1.657 56.358 54.840 -0.232 0.000 0.747 21 L CB -0.532 41.459 42.059 -0.114 0.000 0.896 21 L HN 0.325 nan 8.230 nan 0.000 0.432 22 E N 0.330 120.437 120.200 -0.155 0.000 2.077 22 E HA -0.228 4.122 4.350 0.000 0.000 0.193 22 E C 2.286 178.822 176.600 -0.107 0.000 0.989 22 E CA 1.182 57.521 56.400 -0.103 0.000 0.800 22 E CB -0.215 29.450 29.700 -0.059 0.000 0.746 22 E HN 0.502 nan 8.360 nan 0.000 0.452 23 A N 1.307 124.039 122.820 -0.147 0.000 2.024 23 A HA -0.197 4.123 4.320 0.000 0.000 0.220 23 A C 1.982 179.473 177.584 -0.155 0.000 1.164 23 A CA 1.159 53.129 52.037 -0.110 0.000 0.643 23 A CB -0.175 18.705 19.000 -0.199 0.000 0.806 23 A HN 0.123 nan 8.150 nan 0.000 0.451 24 Q N -1.619 118.005 119.800 -0.294 0.000 2.451 24 Q HA 0.149 4.489 4.340 0.000 0.000 0.206 24 Q C 1.225 177.100 176.000 -0.209 0.000 0.947 24 Q CA 0.798 56.370 55.803 -0.385 0.000 0.937 24 Q CB 0.109 28.281 28.738 -0.943 0.000 1.025 24 Q HN 1.008 nan 8.270 nan 0.000 0.511 25 G N 0.702 109.419 108.800 -0.137 0.000 2.141 25 G HA2 -0.254 3.707 3.960 0.000 0.000 0.242 25 G HA3 -0.254 3.707 3.960 0.000 0.000 0.242 25 G C 0.247 175.119 174.900 -0.047 0.000 0.982 25 G CA 0.185 45.244 45.100 -0.068 0.000 0.662 25 G HN 0.219 nan 8.290 nan 0.000 0.527 26 V N 0.354 120.229 119.914 -0.065 0.000 2.617 26 V HA 0.157 4.277 4.120 0.000 0.000 0.304 26 V C 1.725 177.800 176.094 -0.032 0.000 1.040 26 V CA 1.168 63.459 62.300 -0.014 0.000 1.149 26 V CB 1.051 32.872 31.823 -0.004 0.000 0.914 26 V HN 0.486 nan 8.190 nan 0.000 0.487 27 R N 2.241 122.726 120.500 -0.024 0.000 2.254 27 R HA 0.164 4.504 4.340 0.000 0.000 0.193 27 R C 0.350 176.598 176.300 -0.086 0.000 0.929 27 R CA 0.170 56.243 56.100 -0.045 0.000 1.038 27 R CB 0.415 30.697 30.300 -0.031 0.000 1.009 27 R HN 0.882 nan 8.270 nan 0.000 0.512 28 Q N -0.315 119.410 119.800 -0.126 0.000 2.522 28 Q HA 0.310 4.650 4.340 0.000 0.000 0.285 28 Q C -1.533 174.259 176.000 -0.348 0.000 0.982 28 Q CA -0.781 54.869 55.803 -0.256 0.000 0.805 28 Q CB 1.736 30.259 28.738 -0.358 0.000 1.457 28 Q HN -0.127 nan 8.270 nan 0.000 0.394 29 V N 1.735 121.401 119.914 -0.414 0.000 2.656 29 V HA 0.589 4.709 4.120 0.000 0.000 0.307 29 V C -1.044 174.801 176.094 -0.414 0.000 1.051 29 V CA -0.557 61.541 62.300 -0.336 0.000 0.893 29 V CB 1.495 33.179 31.823 -0.232 0.000 0.999 29 V HN 0.674 nan 8.190 nan 0.000 0.426 30 F N 2.458 122.437 119.950 0.049 0.000 2.422 30 F HA 0.922 5.449 4.527 -0.000 0.000 0.333 30 F C 0.866 176.731 175.800 0.108 0.000 1.095 30 F CA 0.099 58.154 58.000 0.092 0.000 1.038 30 F CB 2.024 41.086 39.000 0.104 0.000 1.156 30 F HN 0.764 nan 8.300 nan 0.000 0.483 31 G N 1.873 110.871 108.800 0.330 0.000 2.327 31 G HA2 0.441 4.401 3.960 0.000 0.000 0.291 31 G HA3 0.441 4.401 3.960 0.000 0.000 0.291 31 G C -2.110 172.971 174.900 0.301 0.000 1.290 31 G CA -0.959 44.326 45.100 0.310 0.000 0.857 31 G HN 0.536 nan 8.290 nan 0.000 0.520 32 I N 2.050 122.769 120.570 0.249 0.000 2.534 32 I HA 0.381 4.551 4.170 0.000 0.000 0.288 32 I C -2.224 173.806 176.117 -0.146 0.000 1.077 32 I CA -1.992 59.330 61.300 0.038 0.000 1.051 32 I CB 2.940 40.940 38.000 -0.002 0.000 1.234 32 I HN 0.323 nan 8.210 nan 0.000 0.425 33 P HA 0.313 nan 4.420 nan 0.000 0.272 33 P C -0.377 176.709 177.300 -0.358 0.000 1.230 33 P CA 0.089 62.607 63.100 -0.970 0.000 0.788 33 P CB 1.484 32.420 31.700 -1.273 0.000 0.949 34 G N -0.976 107.688 108.800 -0.225 0.000 2.677 34 G HA2 0.447 4.407 3.960 0.000 0.000 0.291 34 G HA3 0.447 4.407 3.960 0.000 0.000 0.291 34 G C 0.573 175.439 174.900 -0.057 0.000 1.435 34 G CA -0.088 44.953 45.100 -0.099 0.000 0.826 34 G HN 0.388 nan 8.290 nan 0.000 0.491 35 A N 0.435 123.234 122.820 -0.035 0.000 1.892 35 A HA -0.070 4.250 4.320 0.000 0.000 0.218 35 A C 2.284 179.872 177.584 0.007 0.000 1.188 35 A CA 2.102 54.130 52.037 -0.015 0.000 0.631 35 A CB -0.339 18.655 19.000 -0.010 0.000 0.822 35 A HN 0.457 nan 8.150 nan 0.000 0.447 36 K N -1.158 119.252 120.400 0.016 0.000 2.148 36 K HA -0.010 4.310 4.320 0.000 0.000 0.204 36 K C 1.352 177.980 176.600 0.046 0.000 1.050 36 K CA 1.052 57.357 56.287 0.030 0.000 0.942 36 K CB -0.394 32.125 32.500 0.032 0.000 0.724 36 K HN 0.517 nan 8.250 nan 0.000 0.446 37 I N 1.817 122.430 120.570 0.072 0.000 4.018 37 I HA -0.074 4.096 4.170 0.000 0.000 0.337 37 I C 0.645 176.889 176.117 0.212 0.000 1.327 37 I CA -0.053 61.326 61.300 0.132 0.000 1.100 37 I CB -0.024 38.091 38.000 0.191 0.000 1.025 37 I HN 0.059 nan 8.210 nan 0.000 0.396 38 D N 0.346 120.819 120.400 0.121 0.000 2.182 38 D HA -0.299 4.341 4.640 0.000 0.000 0.201 38 D C 1.955 178.339 176.300 0.139 0.000 0.986 38 D CA 1.190 55.262 54.000 0.119 0.000 0.847 38 D CB -0.302 40.500 40.800 0.003 0.000 0.942 38 D HN 0.113 nan 8.370 nan 0.000 0.467 39 K N 0.420 120.863 120.400 0.071 0.000 2.209 39 K HA -0.030 4.290 4.320 0.000 0.000 0.204 39 K C 1.796 178.403 176.600 0.012 0.000 1.048 39 K CA 0.751 57.042 56.287 0.007 0.000 0.940 39 K CB -0.272 32.209 32.500 -0.030 0.000 0.729 39 K HN 0.165 nan 8.250 nan 0.000 0.451 40 V N 0.263 120.206 119.914 0.048 0.000 2.453 40 V HA -0.137 3.983 4.120 0.000 0.000 0.247 40 V C 1.801 177.857 176.094 -0.063 0.000 1.048 40 V CA 1.453 63.733 62.300 -0.032 0.000 1.049 40 V CB -0.562 31.213 31.823 -0.080 0.000 0.672 40 V HN 0.164 nan 8.190 nan 0.000 0.457 41 F N 0.608 120.538 119.950 -0.034 0.000 2.146 41 F HA -0.162 4.365 4.527 0.000 0.000 0.298 41 F C 2.446 178.227 175.800 -0.032 0.000 1.096 41 F CA 2.025 60.009 58.000 -0.027 0.000 1.275 41 F CB -0.459 38.530 39.000 -0.019 0.000 1.008 41 F HN 0.221 nan 8.300 nan 0.000 0.480 42 D N -0.378 120.110 120.400 0.146 0.000 2.117 42 D HA -0.156 4.484 4.640 0.000 0.000 0.197 42 D C 2.096 178.400 176.300 0.008 0.000 0.987 42 D CA 1.538 55.570 54.000 0.053 0.000 0.829 42 D CB 0.062 40.866 40.800 0.007 0.000 0.961 42 D HN 0.206 nan 8.370 nan 0.000 0.460 43 S N 0.203 115.892 115.700 -0.018 0.000 2.399 43 S HA -0.070 4.400 4.470 0.000 0.000 0.231 43 S C 2.107 176.693 174.600 -0.023 0.000 1.022 43 S CA 0.327 58.512 58.200 -0.026 0.000 0.983 43 S CB -0.125 63.053 63.200 -0.036 0.000 0.803 43 S HN 0.328 nan 8.310 nan 0.000 0.480 44 L N 1.033 122.230 121.223 -0.043 0.000 2.362 44 L HA -0.015 4.325 4.340 0.000 0.000 0.219 44 L C 1.923 178.781 176.870 -0.021 0.000 1.134 44 L CA 0.562 55.368 54.840 -0.057 0.000 0.807 44 L CB -0.431 41.559 42.059 -0.115 0.000 0.927 44 L HN 0.311 nan 8.230 nan 0.000 0.447 45 L N -0.505 120.719 121.223 0.003 0.000 2.191 45 L HA -0.193 4.147 4.340 0.000 0.000 0.212 45 L C 1.206 178.083 176.870 0.010 0.000 1.103 45 L CA 0.981 55.829 54.840 0.014 0.000 0.769 45 L CB -0.297 41.776 42.059 0.023 0.000 0.908 45 L HN 0.323 nan 8.230 nan 0.000 0.438 46 D N -1.020 119.386 120.400 0.010 0.000 2.358 46 D HA 0.055 4.695 4.640 0.000 0.000 0.224 46 D C 0.643 176.952 176.300 0.015 0.000 1.123 46 D CA 0.218 54.229 54.000 0.017 0.000 0.833 46 D CB 0.587 41.404 40.800 0.028 0.000 0.946 46 D HN 0.049 nan 8.370 nan 0.000 0.505 47 S N -0.243 115.457 115.700 0.001 0.000 2.664 47 S HA 0.280 4.750 4.470 0.000 0.000 0.304 47 S C 1.270 175.863 174.600 -0.011 0.000 1.099 47 S CA -0.503 57.693 58.200 -0.007 0.000 1.003 47 S CB 1.608 64.791 63.200 -0.028 0.000 1.092 47 S HN 0.039 nan 8.310 nan 0.000 0.525 48 S N 1.962 117.654 115.700 -0.013 0.000 2.562 48 S HA 0.252 4.722 4.470 0.000 0.000 0.221 48 S C 0.593 175.176 174.600 -0.029 0.000 0.975 48 S CA -0.156 58.035 58.200 -0.015 0.000 0.918 48 S CB -0.659 62.535 63.200 -0.010 0.000 0.772 48 S HN 0.647 nan 8.310 nan 0.000 0.531 49 I N 2.868 123.413 120.570 -0.041 0.000 2.533 49 I HA 0.139 4.309 4.170 0.000 0.000 0.284 49 I C 0.858 176.934 176.117 -0.068 0.000 1.109 49 I CA -0.222 61.040 61.300 -0.063 0.000 1.412 49 I CB 0.477 38.429 38.000 -0.079 0.000 1.396 49 I HN 0.178 nan 8.210 nan 0.000 0.543 50 R N 7.243 127.695 120.500 -0.079 0.000 2.298 50 R HA 0.390 4.730 4.340 0.000 0.000 0.310 50 R C -0.647 175.588 176.300 -0.109 0.000 1.068 50 R CA -0.509 55.547 56.100 -0.074 0.000 0.957 50 R CB 0.509 30.769 30.300 -0.066 0.000 1.003 50 R HN 0.565 nan 8.270 nan 0.000 0.454 51 I N 6.570 127.103 120.570 -0.061 0.000 2.352 51 I HA 0.159 4.329 4.170 0.000 0.000 0.290 51 I C 0.129 176.239 176.117 -0.011 0.000 1.036 51 I CA -0.090 61.185 61.300 -0.043 0.000 1.336 51 I CB 1.003 39.031 38.000 0.048 0.000 1.407 51 I HN 0.505 nan 8.210 nan 0.000 0.497 52 I N 8.723 129.267 120.570 -0.042 0.000 2.464 52 I HA 0.290 4.460 4.170 0.000 0.000 0.277 52 I C -2.396 173.813 176.117 0.154 0.000 1.040 52 I CA -1.915 59.405 61.300 0.034 0.000 1.153 52 I CB 1.194 39.165 38.000 -0.047 0.000 1.274 52 I HN 0.234 nan 8.210 nan 0.000 0.469 53 P HA 0.067 nan 4.420 nan 0.000 0.271 53 P C -0.156 177.255 177.300 0.184 0.000 1.226 53 P CA -0.056 63.152 63.100 0.180 0.000 0.765 53 P CB 0.817 32.591 31.700 0.123 0.000 0.835 54 V N 2.424 122.454 119.914 0.193 0.000 3.267 54 V HA 0.530 4.650 4.120 0.000 0.000 0.317 54 V C 1.080 177.253 176.094 0.132 0.000 1.131 54 V CA -0.518 61.891 62.300 0.181 0.000 1.031 54 V CB 1.950 33.895 31.823 0.204 0.000 1.159 54 V HN 0.225 nan 8.190 nan 0.000 0.454 55 R N -0.748 119.832 120.500 0.134 0.000 2.282 55 R HA 0.312 4.652 4.340 0.000 0.000 0.195 55 R C -0.085 176.301 176.300 0.143 0.000 0.909 55 R CA 0.547 56.720 56.100 0.122 0.000 1.039 55 R CB -0.505 29.874 30.300 0.132 0.000 1.015 55 R HN 1.003 nan 8.270 nan 0.000 0.513 56 H N -0.487 118.617 119.070 0.056 0.000 2.966 56 H HA 0.183 4.739 4.556 0.000 0.000 0.347 56 H C 0.132 175.480 175.328 0.034 0.000 1.048 56 H CA -0.248 55.823 56.048 0.038 0.000 1.295 56 H CB 1.536 31.315 29.762 0.028 0.000 1.744 56 H HN -0.239 nan 8.280 nan 0.000 0.513 57 E N 3.145 123.232 120.200 -0.189 0.000 2.130 57 E HA -0.227 4.123 4.350 0.000 0.000 0.196 57 E C 1.990 178.606 176.600 0.028 0.000 0.998 57 E CA 1.869 58.245 56.400 -0.039 0.000 0.806 57 E CB -0.086 29.563 29.700 -0.086 0.000 0.738 57 E HN 0.680 nan 8.360 nan 0.000 0.459 58 A N 1.351 124.263 122.820 0.153 0.000 1.948 58 A HA -0.272 4.048 4.320 0.000 0.000 0.220 58 A C 1.761 179.133 177.584 -0.352 0.000 1.177 58 A CA 1.852 53.819 52.037 -0.116 0.000 0.636 58 A CB -0.563 18.435 19.000 -0.003 0.000 0.815 58 A HN 0.200 nan 8.150 nan 0.000 0.449 59 N N 0.182 118.885 118.700 0.006 0.000 2.396 59 N HA -0.018 4.722 4.740 0.000 0.000 0.180 59 N C 1.740 177.262 175.510 0.019 0.000 1.028 59 N CA 1.175 54.288 53.050 0.106 0.000 0.893 59 N CB -0.426 38.159 38.487 0.164 0.000 0.967 59 N HN 0.521 nan 8.380 nan 0.000 0.440 60 A N 1.081 123.909 122.820 0.014 0.000 1.930 60 A HA 0.098 4.418 4.320 0.000 0.000 0.217 60 A C 2.366 179.928 177.584 -0.037 0.000 1.175 60 A CA 1.589 53.656 52.037 0.051 0.000 0.627 60 A CB -0.557 18.544 19.000 0.168 0.000 0.815 60 A HN 0.288 nan 8.150 nan 0.000 0.443 61 A N -1.071 121.696 122.820 -0.089 0.000 1.929 61 A HA 0.063 4.383 4.320 0.000 0.000 0.216 61 A C 2.024 179.607 177.584 -0.002 0.000 1.176 61 A CA 1.152 53.140 52.037 -0.082 0.000 0.628 61 A CB -0.710 18.185 19.000 -0.175 0.000 0.816 61 A HN 0.521 nan 8.150 nan 0.000 0.444 62 F N -0.564 119.403 119.950 0.028 0.000 2.084 62 F HA -0.194 4.333 4.527 -0.000 0.000 0.296 62 F C 2.668 178.531 175.800 0.106 0.000 1.111 62 F CA 1.307 59.352 58.000 0.074 0.000 1.224 62 F CB -0.365 38.578 39.000 -0.095 0.000 0.991 62 F HN 0.115 nan 8.300 nan 0.000 0.471 63 M N 0.101 119.728 119.600 0.045 0.000 2.108 63 M HA -0.221 4.259 4.480 0.000 0.000 0.261 63 M C 2.491 178.576 176.300 -0.358 0.000 1.066 63 M CA 1.749 56.870 55.300 -0.299 0.000 1.107 63 M CB -0.582 31.455 32.600 -0.939 0.000 1.356 63 M HN 0.224 nan 8.290 nan 0.000 0.406 64 A N 0.280 122.919 122.820 -0.302 0.000 1.933 64 A HA -0.058 4.262 4.320 0.000 0.000 0.218 64 A C 2.360 180.000 177.584 0.094 0.000 1.175 64 A CA 1.865 53.911 52.037 0.015 0.000 0.628 64 A CB -0.913 18.164 19.000 0.128 0.000 0.814 64 A HN 0.503 nan 8.150 nan 0.000 0.444 65 A N -0.046 122.854 122.820 0.134 0.000 1.902 65 A HA 0.143 4.463 4.320 0.000 0.000 0.217 65 A C 2.520 180.143 177.584 0.065 0.000 1.181 65 A CA 2.140 54.266 52.037 0.149 0.000 0.623 65 A CB -1.063 18.113 19.000 0.293 0.000 0.818 65 A HN 1.072 nan 8.150 nan 0.000 0.443 66 A N -0.601 122.261 122.820 0.069 0.000 1.908 66 A HA -0.026 4.294 4.320 0.000 0.000 0.218 66 A C 2.250 179.846 177.584 0.019 0.000 1.181 66 A CA 1.855 53.876 52.037 -0.026 0.000 0.627 66 A CB -0.984 18.049 19.000 0.056 0.000 0.818 66 A HN 0.392 nan 8.150 nan 0.000 0.445 67 V N -0.166 119.794 119.914 0.078 0.000 2.295 67 V HA -0.199 3.921 4.120 0.000 0.000 0.246 67 V C 2.818 178.960 176.094 0.081 0.000 1.049 67 V CA 2.115 64.482 62.300 0.113 0.000 1.024 67 V CB -1.389 30.566 31.823 0.219 0.000 0.648 67 V HN 0.621 nan 8.190 nan 0.000 0.447 68 G N -0.675 108.173 108.800 0.079 0.000 2.408 68 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 68 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 68 G C 1.704 176.619 174.900 0.025 0.000 1.150 68 G CA 0.877 46.014 45.100 0.061 0.000 0.776 68 G HN 0.445 nan 8.290 nan 0.000 0.542 69 R N 0.048 120.545 120.500 -0.005 0.000 2.073 69 R HA 0.027 4.367 4.340 0.000 0.000 0.234 69 R C 2.459 178.738 176.300 -0.036 0.000 1.134 69 R CA 1.337 57.412 56.100 -0.042 0.000 0.952 69 R CB -0.303 29.929 30.300 -0.113 0.000 0.850 69 R HN 0.425 nan 8.270 nan 0.000 0.433 70 I N 0.131 120.685 120.570 -0.026 0.000 2.333 70 I HA -0.175 3.995 4.170 0.000 0.000 0.246 70 I C 2.278 178.393 176.117 -0.004 0.000 1.106 70 I CA 1.611 62.899 61.300 -0.019 0.000 1.411 70 I CB -0.250 37.744 38.000 -0.011 0.000 1.082 70 I HN 0.378 nan 8.210 nan 0.000 0.420 71 T N -2.418 112.144 114.554 0.013 0.000 3.067 71 T HA 0.225 4.575 4.350 0.000 0.000 0.257 71 T C 1.659 176.371 174.700 0.020 0.000 1.105 71 T CA 0.614 62.725 62.100 0.018 0.000 1.104 71 T CB 0.476 69.364 68.868 0.033 0.000 0.925 71 T HN 0.514 nan 8.240 nan 0.000 0.498 72 G N 1.322 110.135 108.800 0.021 0.000 2.179 72 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 72 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 72 G C -0.043 174.884 174.900 0.045 0.000 0.977 72 G CA 0.266 45.380 45.100 0.023 0.000 0.641 72 G HN 0.676 nan 8.290 nan 0.000 0.533 73 K N 0.536 120.974 120.400 0.063 0.000 2.270 73 K HA 0.702 5.022 4.320 0.000 0.000 0.255 73 K C 0.483 177.164 176.600 0.134 0.000 0.936 73 K CA -0.258 56.092 56.287 0.106 0.000 0.809 73 K CB 2.081 34.639 32.500 0.098 0.000 1.131 73 K HN 0.620 nan 8.250 nan 0.000 0.427 74 A N 2.005 124.928 122.820 0.172 0.000 2.580 74 A HA 0.152 4.472 4.320 0.000 0.000 0.244 74 A C 0.616 178.293 177.584 0.155 0.000 1.045 74 A CA 0.572 52.673 52.037 0.107 0.000 0.761 74 A CB -0.256 18.695 19.000 -0.083 0.000 0.962 74 A HN 0.810 nan 8.150 nan 0.000 0.512 75 G N 0.505 109.381 108.800 0.127 0.000 2.539 75 G HA2 0.497 4.457 3.960 0.000 0.000 0.258 75 G HA3 0.497 4.457 3.960 0.000 0.000 0.258 75 G C -0.514 174.494 174.900 0.181 0.000 1.202 75 G CA -0.336 44.888 45.100 0.207 0.000 0.851 75 G HN 0.970 nan 8.290 nan 0.000 0.556 76 V N 0.637 120.706 119.914 0.259 0.000 2.487 76 V HA 0.686 4.806 4.120 0.000 0.000 0.298 76 V C 0.315 176.549 176.094 0.234 0.000 1.028 76 V CA -0.765 61.640 62.300 0.174 0.000 0.860 76 V CB 1.241 33.144 31.823 0.133 0.000 0.991 76 V HN 1.098 nan 8.190 nan 0.000 0.427 77 A N 4.923 127.836 122.820 0.154 0.000 2.330 77 A HA 0.914 5.234 4.320 0.000 0.000 0.327 77 A C -1.208 176.425 177.584 0.082 0.000 1.155 77 A CA -0.531 51.606 52.037 0.167 0.000 0.803 77 A CB 1.326 20.414 19.000 0.146 0.000 1.208 77 A HN 0.821 nan 8.150 nan 0.000 0.477 78 L N 3.866 125.139 121.223 0.083 0.000 2.372 78 L HA 0.714 5.054 4.340 0.000 0.000 0.274 78 L C -0.471 176.519 176.870 0.199 0.000 0.988 78 L CA -0.377 54.485 54.840 0.037 0.000 0.833 78 L CB 1.656 43.591 42.059 -0.207 0.000 1.236 78 L HN 0.904 nan 8.230 nan 0.000 0.410 79 V N 1.041 121.063 119.914 0.181 0.000 3.141 79 V HA 0.754 4.874 4.120 0.000 0.000 0.312 79 V C -0.102 176.093 176.094 0.169 0.000 1.157 79 V CA -0.434 61.983 62.300 0.194 0.000 1.041 79 V CB 1.638 33.546 31.823 0.142 0.000 1.071 79 V HN 0.735 nan 8.190 nan 0.000 0.441 80 T N 0.877 115.503 114.554 0.121 0.000 2.849 80 T HA 0.522 4.872 4.350 0.000 0.000 0.276 80 T C 0.566 175.315 174.700 0.082 0.000 0.971 80 T CA 0.369 62.521 62.100 0.087 0.000 0.949 80 T CB 1.075 69.965 68.868 0.036 0.000 1.093 80 T HN 1.645 nan 8.240 nan 0.000 0.545 81 S N 0.247 115.987 115.700 0.066 0.000 2.596 81 S HA 0.522 4.992 4.470 0.000 0.000 0.260 81 S C 1.293 175.928 174.600 0.058 0.000 1.336 81 S CA -0.048 58.194 58.200 0.070 0.000 0.993 81 S CB -0.180 63.052 63.200 0.053 0.000 0.923 81 S HN 1.623 nan 8.310 nan 0.000 0.567 82 G N 1.731 110.569 108.800 0.063 0.000 2.602 82 G HA2 -0.285 3.675 3.960 0.000 0.000 0.310 82 G HA3 -0.285 3.675 3.960 0.000 0.000 0.310 82 G C -1.114 173.809 174.900 0.037 0.000 1.183 82 G CA 0.257 45.383 45.100 0.044 0.000 0.979 82 G HN 0.742 nan 8.290 nan 0.000 0.545 83 P HA -0.050 nan 4.420 nan 0.000 0.219 83 P C 1.926 179.225 177.300 -0.002 0.000 1.146 83 P CA 2.504 65.604 63.100 0.001 0.000 0.808 83 P CB -0.716 30.977 31.700 -0.011 0.000 0.779 84 G N -0.090 108.719 108.800 0.015 0.000 2.440 84 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 84 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 84 G C 1.705 176.647 174.900 0.069 0.000 1.154 84 G CA 0.930 46.045 45.100 0.024 0.000 0.767 84 G HN 0.264 nan 8.290 nan 0.000 0.552 85 C N 1.101 120.469 119.300 0.113 0.000 2.500 85 C HA 0.028 4.488 4.460 0.000 0.000 0.279 85 C C 3.477 178.578 174.990 0.186 0.000 1.288 85 C CA 1.285 60.424 59.018 0.203 0.000 1.710 85 C CB -0.697 27.181 27.740 0.231 0.000 2.052 85 C HN 0.589 nan 8.230 nan 0.000 0.488 86 S N 1.320 117.058 115.700 0.065 0.000 2.419 86 S HA -0.212 4.258 4.470 0.000 0.000 0.235 86 S C 1.254 175.826 174.600 -0.048 0.000 1.019 86 S CA 1.768 59.943 58.200 -0.042 0.000 0.982 86 S CB -1.066 62.110 63.200 -0.041 0.000 0.789 86 S HN 0.747 nan 8.310 nan 0.000 0.490 87 N N 0.670 119.364 118.700 -0.009 0.000 2.494 87 N HA 0.204 4.944 4.740 0.000 0.000 0.182 87 N C 1.405 176.918 175.510 0.005 0.000 1.076 87 N CA 0.463 53.509 53.050 -0.006 0.000 0.908 87 N CB -0.128 38.288 38.487 -0.118 0.000 0.967 87 N HN 0.390 nan 8.380 nan 0.000 0.449 88 L N 0.541 121.785 121.223 0.034 0.000 2.307 88 L HA 0.059 4.399 4.340 0.000 0.000 0.211 88 L C 1.922 178.782 176.870 -0.017 0.000 1.099 88 L CA 0.181 55.056 54.840 0.057 0.000 0.816 88 L CB -0.078 42.123 42.059 0.237 0.000 0.952 88 L HN 0.162 nan 8.230 nan 0.000 0.455 89 I N 0.038 120.506 120.570 -0.170 0.000 2.121 89 I HA -0.443 3.727 4.170 0.000 0.000 0.243 89 I C 2.398 178.397 176.117 -0.196 0.000 1.047 89 I CA 2.104 63.177 61.300 -0.378 0.000 1.308 89 I CB -0.799 36.900 38.000 -0.503 0.000 1.015 89 I HN 0.284 nan 8.210 nan 0.000 0.410 90 T N 0.331 114.802 114.554 -0.138 0.000 2.746 90 T HA -0.113 4.237 4.350 0.000 0.000 0.267 90 T C 1.853 176.513 174.700 -0.067 0.000 1.039 90 T CA 1.464 63.522 62.100 -0.070 0.000 1.142 90 T CB -0.704 68.152 68.868 -0.019 0.000 0.866 90 T HN 0.638 nan 8.240 nan 0.000 0.444 91 G N 1.314 109.947 108.800 -0.277 0.000 2.432 91 G HA2 -0.164 3.796 3.960 0.000 0.000 0.219 91 G HA3 -0.164 3.796 3.960 0.000 0.000 0.219 91 G C 1.524 176.372 174.900 -0.086 0.000 1.135 91 G CA 0.556 45.346 45.100 -0.515 0.000 0.767 91 G HN 0.294 nan 8.290 nan 0.000 0.550 92 M N 1.069 120.660 119.600 -0.015 0.000 2.156 92 M HA 0.133 4.613 4.480 0.000 0.000 0.264 92 M C 2.988 179.344 176.300 0.093 0.000 1.067 92 M CA 1.168 56.523 55.300 0.092 0.000 1.131 92 M CB -1.149 31.571 32.600 0.200 0.000 1.368 92 M HN 0.304 nan 8.290 nan 0.000 0.416 93 A N -0.247 122.601 122.820 0.047 0.000 1.969 93 A HA -0.110 4.210 4.320 0.000 0.000 0.218 93 A C 2.316 179.962 177.584 0.103 0.000 1.169 93 A CA 2.053 54.121 52.037 0.051 0.000 0.635 93 A CB -1.005 17.997 19.000 0.004 0.000 0.810 93 A HN 0.469 nan 8.150 nan 0.000 0.445 94 T N 0.165 114.814 114.554 0.158 0.000 2.777 94 T HA 0.035 4.385 4.350 0.000 0.000 0.266 94 T C 2.251 177.105 174.700 0.257 0.000 1.040 94 T CA 1.419 63.665 62.100 0.243 0.000 1.141 94 T CB -0.388 68.729 68.868 0.414 0.000 0.868 94 T HN 0.578 nan 8.240 nan 0.000 0.444 95 A N 2.052 125.018 122.820 0.244 0.000 1.877 95 A HA -0.156 4.164 4.320 0.000 0.000 0.216 95 A C 2.204 179.876 177.584 0.146 0.000 1.186 95 A CA 1.960 54.122 52.037 0.209 0.000 0.620 95 A CB -0.940 18.165 19.000 0.176 0.000 0.822 95 A HN 0.451 nan 8.150 nan 0.000 0.443 96 N N 0.027 118.803 118.700 0.127 0.000 2.149 96 N HA -0.116 4.624 4.740 0.000 0.000 0.188 96 N C 1.865 177.433 175.510 0.097 0.000 1.019 96 N CA 1.789 54.901 53.050 0.105 0.000 0.857 96 N CB -0.225 38.321 38.487 0.098 0.000 0.997 96 N HN 0.373 nan 8.380 nan 0.000 0.426 97 S N -0.140 115.623 115.700 0.105 0.000 2.383 97 S HA -0.019 4.451 4.470 0.000 0.000 0.227 97 S C 1.181 175.837 174.600 0.095 0.000 1.026 97 S CA 0.813 59.069 58.200 0.094 0.000 0.981 97 S CB -0.106 63.152 63.200 0.096 0.000 0.818 97 S HN 0.370 nan 8.310 nan 0.000 0.472 98 E N 0.174 120.440 120.200 0.111 0.000 2.479 98 E HA 0.202 4.552 4.350 0.000 0.000 0.193 98 E C 1.236 177.868 176.600 0.054 0.000 1.049 98 E CA 0.389 56.841 56.400 0.086 0.000 0.870 98 E CB -0.254 29.505 29.700 0.099 0.000 0.944 98 E HN 0.491 nan 8.360 nan 0.000 0.492 99 G N 2.247 111.086 108.800 0.064 0.000 2.160 99 G HA2 -0.209 3.751 3.960 0.000 0.000 0.244 99 G HA3 -0.209 3.751 3.960 0.000 0.000 0.244 99 G C -0.581 174.342 174.900 0.038 0.000 1.022 99 G CA 0.098 45.228 45.100 0.049 0.000 0.741 99 G HN 0.130 nan 8.290 nan 0.000 0.508 100 D N 1.445 121.876 120.400 0.051 0.000 2.280 100 D HA 0.370 5.010 4.640 0.000 0.000 0.243 100 D C -1.974 174.357 176.300 0.052 0.000 1.129 100 D CA -1.229 52.796 54.000 0.042 0.000 0.848 100 D CB 1.668 42.500 40.800 0.053 0.000 1.107 100 D HN 0.189 nan 8.370 nan 0.000 0.471 101 P HA 0.033 nan 4.420 nan 0.000 0.270 101 P C -0.575 176.737 177.300 0.020 0.000 1.242 101 P CA -0.101 63.015 63.100 0.026 0.000 0.768 101 P CB 0.748 32.465 31.700 0.028 0.000 0.820 102 V N 5.048 124.963 119.914 0.001 0.000 2.686 102 V HA 0.293 4.413 4.120 0.000 0.000 0.306 102 V C 0.025 176.066 176.094 -0.088 0.000 1.065 102 V CA -0.794 61.500 62.300 -0.009 0.000 0.894 102 V CB 2.703 34.561 31.823 0.058 0.000 1.004 102 V HN 0.213 nan 8.190 nan 0.000 0.424 103 V N 3.523 123.327 119.914 -0.183 0.000 2.409 103 V HA 0.813 4.933 4.120 0.000 0.000 0.291 103 V C 0.251 176.270 176.094 -0.126 0.000 1.020 103 V CA -0.405 61.726 62.300 -0.283 0.000 0.848 103 V CB 1.738 33.100 31.823 -0.767 0.000 0.990 103 V HN 1.021 nan 8.190 nan 0.000 0.430 104 A N 6.538 129.320 122.820 -0.064 0.000 2.303 104 A HA 0.856 5.176 4.320 0.000 0.000 0.320 104 A C -0.809 176.693 177.584 -0.137 0.000 1.192 104 A CA -0.492 51.541 52.037 -0.008 0.000 0.821 104 A CB 0.645 19.719 19.000 0.124 0.000 1.188 104 A HN 0.807 nan 8.150 nan 0.000 0.492 105 L N 3.084 124.236 121.223 -0.117 0.000 2.280 105 L HA 0.614 4.954 4.340 0.000 0.000 0.287 105 L C 0.651 177.446 176.870 -0.125 0.000 1.023 105 L CA -0.409 54.310 54.840 -0.202 0.000 0.819 105 L CB 1.737 43.716 42.059 -0.132 0.000 1.212 105 L HN 0.794 nan 8.230 nan 0.000 0.420 106 G N 1.676 110.341 108.800 -0.225 0.000 2.461 106 G HA2 0.570 4.530 3.960 0.000 0.000 0.323 106 G HA3 0.570 4.530 3.960 0.000 0.000 0.323 106 G C -0.017 174.881 174.900 -0.004 0.000 1.229 106 G CA -0.501 44.610 45.100 0.017 0.000 0.941 106 G HN 0.648 nan 8.290 nan 0.000 0.477 107 G N -0.421 108.414 108.800 0.058 0.000 2.636 107 G HA2 0.672 4.632 3.960 0.000 0.000 0.246 107 G HA3 0.672 4.632 3.960 0.000 0.000 0.246 107 G C 0.015 174.948 174.900 0.055 0.000 1.216 107 G CA 0.572 45.699 45.100 0.045 0.000 0.854 107 G HN 1.504 nan 8.290 nan 0.000 0.572 108 A N -0.701 122.141 122.820 0.037 0.000 2.612 108 A HA 0.688 5.008 4.320 0.000 0.000 0.293 108 A C -0.024 177.578 177.584 0.029 0.000 1.075 108 A CA -0.037 52.025 52.037 0.042 0.000 0.680 108 A CB 0.807 19.829 19.000 0.036 0.000 1.279 108 A HN 2.098 nan 8.150 nan 0.000 0.411 109 V N -0.667 119.264 119.914 0.030 0.000 3.237 109 V HA 0.336 4.456 4.120 0.000 0.000 0.305 109 V C 0.344 176.448 176.094 0.018 0.000 1.096 109 V CA -0.471 61.843 62.300 0.022 0.000 1.130 109 V CB -0.230 31.606 31.823 0.021 0.000 1.048 109 V HN 0.825 nan 8.190 nan 0.000 0.484 110 K N 1.754 122.163 120.400 0.016 0.000 2.485 110 K HA 0.104 4.424 4.320 0.000 0.000 0.277 110 K C 1.420 178.027 176.600 0.012 0.000 0.990 110 K CA 0.140 56.435 56.287 0.013 0.000 0.994 110 K CB 0.351 32.860 32.500 0.014 0.000 0.906 110 K HN 0.584 nan 8.250 nan 0.000 0.488 111 R N 1.583 122.088 120.500 0.009 0.000 2.153 111 R HA -0.270 4.070 4.340 0.000 0.000 0.252 111 R C 2.031 178.335 176.300 0.008 0.000 1.158 111 R CA 1.919 58.023 56.100 0.007 0.000 0.975 111 R CB -0.424 29.879 30.300 0.004 0.000 0.871 111 R HN 0.750 nan 8.270 nan 0.000 0.450 112 A N 0.806 123.631 122.820 0.009 0.000 2.066 112 A HA -0.116 4.204 4.320 0.000 0.000 0.218 112 A C 1.149 178.738 177.584 0.009 0.000 1.157 112 A CA 1.300 53.342 52.037 0.008 0.000 0.670 112 A CB 0.023 19.028 19.000 0.008 0.000 0.804 112 A HN 0.176 nan 8.150 nan 0.000 0.453 113 D N -0.793 119.613 120.400 0.010 0.000 2.350 113 D HA -0.002 4.638 4.640 0.000 0.000 0.213 113 D C 1.624 177.931 176.300 0.012 0.000 1.031 113 D CA 0.360 54.366 54.000 0.011 0.000 0.861 113 D CB 0.000 40.807 40.800 0.012 0.000 0.926 113 D HN 0.531 nan 8.370 nan 0.000 0.520 114 K N 1.360 121.768 120.400 0.013 0.000 2.059 114 K HA -0.193 4.127 4.320 0.000 0.000 0.212 114 K C 1.805 178.413 176.600 0.013 0.000 1.050 114 K CA 1.649 57.944 56.287 0.015 0.000 0.927 114 K CB 0.062 32.571 32.500 0.014 0.000 0.714 114 K HN 0.033 nan 8.250 nan 0.000 0.447 115 A N 0.955 123.781 122.820 0.010 0.000 2.072 115 A HA 0.020 4.340 4.320 0.000 0.000 0.216 115 A C 0.336 177.925 177.584 0.008 0.000 1.156 115 A CA 0.303 52.345 52.037 0.009 0.000 0.701 115 A CB -0.026 18.978 19.000 0.007 0.000 0.816 115 A HN 0.111 nan 8.150 nan 0.000 0.458 116 K N 0.296 120.701 120.400 0.008 0.000 2.344 116 K HA 0.346 4.666 4.320 0.000 0.000 0.260 116 K C 0.817 177.422 176.600 0.007 0.000 0.988 116 K CA 0.657 56.949 56.287 0.007 0.000 0.909 116 K CB -0.178 32.326 32.500 0.008 0.000 0.968 116 K HN 0.491 nan 8.250 nan 0.000 0.505 122 M N 2.279 121.902 119.600 0.037 0.000 2.238 122 M HA 0.248 4.728 4.480 0.000 0.000 0.347 122 M C 0.183 176.514 176.300 0.051 0.000 1.173 122 M CA 0.004 55.326 55.300 0.037 0.000 1.147 122 M CB 0.352 32.976 32.600 0.040 0.000 1.547 122 M HN 0.610 nan 8.290 nan 0.000 0.455 123 D N 1.733 122.156 120.400 0.039 0.000 2.619 123 D HA 0.043 4.683 4.640 0.000 0.000 0.224 123 D C 1.304 177.645 176.300 0.068 0.000 1.133 123 D CA -0.086 53.944 54.000 0.049 0.000 1.017 123 D CB 0.346 41.163 40.800 0.029 0.000 1.077 123 D HN 0.680 nan 8.370 nan 0.000 0.503 124 T N -1.673 112.950 114.554 0.114 0.000 2.788 124 T HA -0.174 4.176 4.350 0.000 0.000 0.268 124 T C 2.021 176.840 174.700 0.198 0.000 1.044 124 T CA 0.975 63.171 62.100 0.159 0.000 1.139 124 T CB -0.405 68.586 68.868 0.204 0.000 0.867 124 T HN 0.126 nan 8.240 nan 0.000 0.454 125 V N 2.256 122.297 119.914 0.213 0.000 2.332 125 V HA -0.103 4.017 4.120 0.000 0.000 0.248 125 V C 3.239 179.405 176.094 0.120 0.000 1.055 125 V CA 1.727 64.148 62.300 0.202 0.000 1.038 125 V CB -1.401 30.501 31.823 0.131 0.000 0.651 125 V HN 0.715 nan 8.190 nan 0.000 0.450 126 A N -1.038 121.825 122.820 0.071 0.000 2.015 126 A HA -0.129 4.191 4.320 0.000 0.000 0.219 126 A C 2.161 179.742 177.584 -0.005 0.000 1.163 126 A CA 1.739 53.793 52.037 0.027 0.000 0.646 126 A CB -0.408 18.600 19.000 0.013 0.000 0.806 126 A HN 0.533 nan 8.150 nan 0.000 0.448 127 M N -2.442 117.147 119.600 -0.019 0.000 2.388 127 M HA 0.135 4.615 4.480 0.000 0.000 0.265 127 M C 1.304 177.439 176.300 -0.276 0.000 1.088 127 M CA 1.003 56.214 55.300 -0.149 0.000 1.134 127 M CB -0.027 32.454 32.600 -0.198 0.000 1.384 127 M HN 0.418 nan 8.290 nan 0.000 0.447 128 F N -0.456 119.369 119.950 -0.209 0.000 2.619 128 F HA 0.081 4.608 4.527 -0.000 0.000 0.293 128 F C 2.449 178.198 175.800 -0.086 0.000 1.119 128 F CA 0.448 58.321 58.000 -0.213 0.000 1.445 128 F CB -0.288 38.470 39.000 -0.403 0.000 1.119 128 F HN -0.000 nan 8.300 nan 0.000 0.573 129 S N 0.957 116.715 115.700 0.097 0.000 2.365 129 S HA -0.178 4.292 4.470 0.000 0.000 0.225 129 S C -0.383 174.237 174.600 0.033 0.000 1.039 129 S CA 1.731 59.970 58.200 0.064 0.000 1.033 129 S CB -1.332 61.890 63.200 0.036 0.000 0.887 129 S HN 0.237 nan 8.310 nan 0.000 0.447 130 P HA -0.025 nan 4.420 nan 0.000 0.220 130 P C 1.025 178.320 177.300 -0.009 0.000 1.148 130 P CA 0.927 64.016 63.100 -0.018 0.000 0.803 130 P CB -0.096 31.575 31.700 -0.048 0.000 0.782 131 V N -4.983 114.925 119.914 -0.010 0.000 3.121 131 V HA 0.343 4.463 4.120 0.000 0.000 0.344 131 V C 0.183 176.322 176.094 0.076 0.000 1.390 131 V CA 0.122 62.429 62.300 0.012 0.000 1.177 131 V CB -0.756 31.042 31.823 -0.042 0.000 1.163 131 V HN 0.081 nan 8.190 nan 0.000 0.484 132 T N -3.993 110.623 114.554 0.103 0.000 2.864 132 T HA 0.502 4.852 4.350 0.000 0.000 0.299 132 T C 0.234 175.011 174.700 0.129 0.000 1.166 132 T CA -0.581 61.605 62.100 0.143 0.000 1.007 132 T CB 2.547 71.541 68.868 0.211 0.000 1.219 132 T HN 0.039 nan 8.240 nan 0.000 0.506 133 K N -0.697 119.792 120.400 0.148 0.000 2.211 133 K HA 0.152 4.472 4.320 0.000 0.000 0.201 133 K C -0.488 176.243 176.600 0.218 0.000 1.052 133 K CA 0.496 56.873 56.287 0.149 0.000 0.973 133 K CB 0.169 32.749 32.500 0.132 0.000 0.766 133 K HN 0.595 nan 8.250 nan 0.000 0.466 134 Y N 0.017 120.355 120.300 0.063 0.000 2.386 134 Y HA 0.467 5.017 4.550 0.000 0.000 0.334 134 Y C -1.901 174.051 175.900 0.086 0.000 1.002 134 Y CA -1.166 56.967 58.100 0.054 0.000 1.068 134 Y CB 1.864 40.337 38.460 0.023 0.000 1.203 134 Y HN -0.105 nan 8.280 nan 0.000 0.443 135 A N 7.808 130.468 122.820 -0.267 0.000 2.499 135 A HA 0.792 5.112 4.320 0.000 0.000 0.280 135 A C -2.015 175.388 177.584 -0.302 0.000 1.135 135 A CA -0.461 51.491 52.037 -0.143 0.000 0.744 135 A CB 0.352 19.418 19.000 0.110 0.000 1.213 135 A HN 0.501 nan 8.150 nan 0.000 0.434 136 I N 0.488 120.813 120.570 -0.409 0.000 2.969 136 I HA 0.541 4.711 4.170 0.000 0.000 0.307 136 I C -0.214 175.769 176.117 -0.224 0.000 1.149 136 I CA -0.596 60.511 61.300 -0.323 0.000 1.008 136 I CB 2.107 39.842 38.000 -0.442 0.000 1.232 136 I HN 0.856 nan 8.210 nan 0.000 0.435 137 E N 2.330 122.450 120.200 -0.133 0.000 2.210 137 E HA 0.505 4.855 4.350 0.000 0.000 0.266 137 E C -1.514 175.034 176.600 -0.087 0.000 0.883 137 E CA -0.594 55.741 56.400 -0.108 0.000 0.761 137 E CB 2.147 31.825 29.700 -0.038 0.000 1.156 137 E HN 0.348 nan 8.360 nan 0.000 0.412 138 V N 4.972 124.830 119.914 -0.093 0.000 2.397 138 V HA 0.063 4.183 4.120 0.000 0.000 0.262 138 V C 1.090 177.159 176.094 -0.041 0.000 1.047 138 V CA 0.735 62.997 62.300 -0.063 0.000 1.003 138 V CB 0.377 32.159 31.823 -0.069 0.000 1.037 138 V HN 0.925 nan 8.190 nan 0.000 0.480 139 T N 0.926 115.463 114.554 -0.028 0.000 3.054 139 T HA 0.428 4.778 4.350 0.000 0.000 0.255 139 T C 0.535 175.228 174.700 -0.011 0.000 1.035 139 T CA 0.454 62.544 62.100 -0.016 0.000 0.941 139 T CB 0.527 69.388 68.868 -0.012 0.000 1.026 139 T HN 0.697 nan 8.240 nan 0.000 0.533 140 A N 2.333 125.145 122.820 -0.013 0.000 2.483 140 A HA 0.701 5.021 4.320 0.000 0.000 0.308 140 A C -1.876 175.702 177.584 -0.011 0.000 1.291 140 A CA -1.625 50.408 52.037 -0.007 0.000 0.774 140 A CB 1.195 20.193 19.000 -0.003 0.000 1.134 140 A HN 0.024 nan 8.150 nan 0.000 0.471 141 P HA -0.215 nan 4.420 nan 0.000 0.218 141 P C 0.574 177.866 177.300 -0.013 0.000 1.152 141 P CA 1.450 64.544 63.100 -0.011 0.000 0.857 141 P CB 0.267 31.967 31.700 0.000 0.000 0.787 142 D N -1.622 118.777 120.400 -0.002 0.000 2.363 142 D HA 0.035 4.675 4.640 0.000 0.000 0.226 142 D C 1.287 177.584 176.300 -0.006 0.000 1.020 142 D CA 0.689 54.692 54.000 0.004 0.000 0.892 142 D CB -0.043 40.766 40.800 0.015 0.000 0.900 142 D HN 0.198 nan 8.370 nan 0.000 0.531 143 A N 0.143 122.954 122.820 -0.015 0.000 2.503 143 A HA 0.125 4.445 4.320 0.000 0.000 0.263 143 A C 1.681 179.245 177.584 -0.033 0.000 1.258 143 A CA -0.304 51.724 52.037 -0.016 0.000 0.936 143 A CB 0.155 19.153 19.000 -0.003 0.000 1.070 143 A HN 0.062 nan 8.150 nan 0.000 0.522 144 L N 0.397 121.586 121.223 -0.056 0.000 1.971 144 L HA -0.202 4.138 4.340 0.000 0.000 0.215 144 L C 2.638 179.449 176.870 -0.098 0.000 1.072 144 L CA 2.703 57.492 54.840 -0.085 0.000 0.758 144 L CB -0.878 41.110 42.059 -0.119 0.000 0.889 144 L HN 0.397 nan 8.230 nan 0.000 0.433 145 A N -1.417 121.325 122.820 -0.129 0.000 1.933 145 A HA -0.234 4.086 4.320 0.000 0.000 0.218 145 A C 2.143 179.683 177.584 -0.073 0.000 1.175 145 A CA 1.705 53.659 52.037 -0.138 0.000 0.628 145 A CB -0.635 18.261 19.000 -0.173 0.000 0.814 145 A HN 0.542 nan 8.150 nan 0.000 0.444 146 E N -0.400 119.774 120.200 -0.044 0.000 2.021 146 E HA -0.162 4.188 4.350 0.000 0.000 0.200 146 E C 2.028 178.638 176.600 0.016 0.000 1.015 146 E CA 1.738 58.132 56.400 -0.011 0.000 0.824 146 E CB -0.418 29.283 29.700 0.002 0.000 0.762 146 E HN 0.294 nan 8.360 nan 0.000 0.454 147 V N 0.008 119.942 119.914 0.033 0.000 2.287 147 V HA -0.272 3.848 4.120 0.000 0.000 0.248 147 V C 2.267 178.427 176.094 0.110 0.000 1.053 147 V CA 1.612 63.972 62.300 0.100 0.000 1.027 147 V CB -0.507 31.350 31.823 0.057 0.000 0.646 147 V HN 0.159 nan 8.190 nan 0.000 0.447 148 V N -0.398 119.548 119.914 0.052 0.000 2.295 148 V HA -0.271 3.849 4.120 0.000 0.000 0.246 148 V C 2.700 178.901 176.094 0.177 0.000 1.049 148 V CA 2.433 64.791 62.300 0.097 0.000 1.024 148 V CB -0.675 31.171 31.823 0.039 0.000 0.648 148 V HN 0.641 nan 8.190 nan 0.000 0.447 149 S N 0.426 116.166 115.700 0.066 0.000 2.359 149 S HA -0.236 4.234 4.470 0.000 0.000 0.224 149 S C 1.852 176.479 174.600 0.045 0.000 1.035 149 S CA 1.949 60.174 58.200 0.041 0.000 1.018 149 S CB -0.499 62.680 63.200 -0.034 0.000 0.876 149 S HN 0.666 nan 8.310 nan 0.000 0.448 150 N N 1.346 120.026 118.700 -0.033 0.000 2.459 150 N HA 0.081 4.821 4.740 0.000 0.000 0.181 150 N C 1.710 176.931 175.510 -0.481 0.000 1.046 150 N CA 0.965 53.905 53.050 -0.184 0.000 0.904 150 N CB -0.542 37.856 38.487 -0.148 0.000 0.964 150 N HN 0.550 nan 8.380 nan 0.000 0.444 151 A N 0.269 122.891 122.820 -0.329 0.000 1.897 151 A HA -0.025 4.295 4.320 0.000 0.000 0.215 151 A C 1.859 179.271 177.584 -0.286 0.000 1.181 151 A CA 0.783 52.577 52.037 -0.405 0.000 0.620 151 A CB -0.674 18.317 19.000 -0.014 0.000 0.821 151 A HN 0.126 nan 8.150 nan 0.000 0.443 152 F N -0.229 119.628 119.950 -0.157 0.000 2.186 152 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 152 F C 2.540 178.277 175.800 -0.106 0.000 1.090 152 F CA 1.463 59.405 58.000 -0.096 0.000 1.307 152 F CB -0.262 38.696 39.000 -0.069 0.000 1.019 152 F HN 0.086 nan 8.300 nan 0.000 0.489 153 R N -0.088 120.430 120.500 0.030 0.000 2.081 153 R HA -0.143 4.197 4.340 0.000 0.000 0.235 153 R C 2.425 178.681 176.300 -0.072 0.000 1.131 153 R CA 1.253 57.338 56.100 -0.024 0.000 0.960 153 R CB -0.683 29.583 30.300 -0.055 0.000 0.856 153 R HN 0.283 nan 8.270 nan 0.000 0.436 154 A N 0.727 123.436 122.820 -0.184 0.000 1.902 154 A HA -0.106 4.214 4.320 0.000 0.000 0.217 154 A C 2.277 179.827 177.584 -0.058 0.000 1.181 154 A CA 1.705 53.652 52.037 -0.150 0.000 0.623 154 A CB -0.528 18.291 19.000 -0.300 0.000 0.818 154 A HN 0.432 nan 8.150 nan 0.000 0.443 155 A N -0.154 122.620 122.820 -0.077 0.000 1.897 155 A HA -0.098 4.222 4.320 0.000 0.000 0.215 155 A C 1.895 179.477 177.584 -0.003 0.000 1.181 155 A CA 1.502 53.517 52.037 -0.038 0.000 0.620 155 A CB -0.394 18.542 19.000 -0.106 0.000 0.821 155 A HN 0.623 nan 8.150 nan 0.000 0.443 156 E N -0.408 119.797 120.200 0.009 0.000 2.230 156 E HA -0.006 4.345 4.350 0.000 0.000 0.192 156 E C 0.691 177.306 176.600 0.025 0.000 0.987 156 E CA 0.111 56.530 56.400 0.032 0.000 0.841 156 E CB 0.063 29.803 29.700 0.066 0.000 0.783 156 E HN 0.686 nan 8.360 nan 0.000 0.481 157 Q N -0.221 119.590 119.800 0.017 0.000 2.199 157 Q HA 0.371 4.711 4.340 0.000 0.000 0.232 157 Q C 0.734 176.748 176.000 0.024 0.000 0.969 157 Q CA 0.024 55.838 55.803 0.018 0.000 0.925 157 Q CB 1.297 30.042 28.738 0.013 0.000 1.198 157 Q HN 0.192 nan 8.270 nan 0.000 0.494 158 G N 0.949 109.763 108.800 0.024 0.000 2.614 158 G HA2 -0.335 3.625 3.960 0.000 0.000 0.303 158 G HA3 -0.335 3.625 3.960 0.000 0.000 0.303 158 G C -0.505 174.410 174.900 0.024 0.000 1.270 158 G CA -0.212 44.905 45.100 0.029 0.000 0.988 158 G HN 0.560 nan 8.290 nan 0.000 0.551 159 R N 1.876 122.397 120.500 0.036 0.000 2.248 159 R HA 0.284 4.624 4.340 0.000 0.000 0.337 159 R C -2.187 174.141 176.300 0.046 0.000 1.085 159 R CA -1.205 54.914 56.100 0.033 0.000 0.934 159 R CB 0.655 30.983 30.300 0.048 0.000 1.034 159 R HN 0.233 nan 8.270 nan 0.000 0.465 160 P HA 0.021 nan 4.420 nan 0.000 0.267 160 P C 0.041 177.371 177.300 0.050 0.000 1.201 160 P CA 0.161 63.283 63.100 0.036 0.000 0.775 160 P CB 0.818 32.534 31.700 0.026 0.000 0.854 161 G N -0.060 108.771 108.800 0.052 0.000 2.634 161 G HA2 0.524 4.484 3.960 0.000 0.000 0.309 161 G HA3 0.524 4.484 3.960 0.000 0.000 0.309 161 G C -1.173 173.766 174.900 0.066 0.000 1.299 161 G CA -0.474 44.667 45.100 0.069 0.000 0.798 161 G HN 0.535 nan 8.290 nan 0.000 0.490 162 S N -1.187 114.567 115.700 0.089 0.000 2.617 162 S HA 0.837 5.307 4.470 0.000 0.000 0.283 162 S C -0.088 174.584 174.600 0.120 0.000 1.189 162 S CA 0.199 58.456 58.200 0.094 0.000 1.036 162 S CB 1.730 65.005 63.200 0.125 0.000 1.014 162 S HN 2.039 nan 8.310 nan 0.000 0.522 163 A N 1.791 124.672 122.820 0.102 0.000 2.422 163 A HA 0.745 5.065 4.320 0.000 0.000 0.302 163 A C -1.318 176.352 177.584 0.143 0.000 1.041 163 A CA -0.675 51.465 52.037 0.171 0.000 0.708 163 A CB 1.011 20.094 19.000 0.138 0.000 1.257 163 A HN 0.969 nan 8.150 nan 0.000 0.414 164 F N 2.555 122.478 119.950 -0.045 0.000 2.495 164 F HA 0.722 5.249 4.527 -0.000 0.000 0.327 164 F C -1.063 174.609 175.800 -0.213 0.000 1.103 164 F CA -0.791 57.064 58.000 -0.242 0.000 0.949 164 F CB 2.092 40.780 39.000 -0.521 0.000 1.142 164 F HN 0.357 nan 8.300 nan 0.000 0.457 165 V N 4.719 123.941 119.914 -1.154 0.000 2.524 165 V HA 0.308 4.428 4.120 0.000 0.000 0.297 165 V C -0.524 174.888 176.094 -1.137 0.000 1.035 165 V CA -0.812 60.972 62.300 -0.860 0.000 0.867 165 V CB 1.435 33.037 31.823 -0.369 0.000 1.004 165 V HN 0.832 nan 8.190 nan 0.000 0.426 166 S N 5.932 121.094 115.700 -0.897 0.000 2.489 166 S HA 0.645 5.115 4.470 0.000 0.000 0.277 166 S C -0.516 173.932 174.600 -0.253 0.000 1.230 166 S CA -0.420 57.482 58.200 -0.497 0.000 1.053 166 S CB 0.167 63.288 63.200 -0.132 0.000 0.955 166 S HN 0.572 nan 8.310 nan 0.000 0.488 167 L N 7.251 128.368 121.223 -0.177 0.000 2.301 167 L HA 0.413 4.753 4.340 0.000 0.000 0.278 167 L C -2.342 174.500 176.870 -0.048 0.000 1.022 167 L CA -2.216 52.560 54.840 -0.106 0.000 0.854 167 L CB 1.444 43.442 42.059 -0.101 0.000 1.226 167 L HN 0.444 nan 8.230 nan 0.000 0.429 168 P HA -0.026 nan 4.420 nan 0.000 0.268 168 P C 0.375 177.674 177.300 -0.000 0.000 1.205 168 P CA -0.024 63.070 63.100 -0.009 0.000 0.771 168 P CB 0.763 32.459 31.700 -0.008 0.000 0.858 169 Q N 3.004 122.811 119.800 0.011 0.000 2.061 169 Q HA -0.265 4.075 4.340 0.000 0.000 0.204 169 Q C 1.355 177.369 176.000 0.023 0.000 0.984 169 Q CA 2.151 57.966 55.803 0.019 0.000 0.846 169 Q CB -0.289 28.463 28.738 0.022 0.000 0.902 169 Q HN 0.539 nan 8.270 nan 0.000 0.421 170 D N -0.636 119.776 120.400 0.020 0.000 2.178 170 D HA -0.141 4.499 4.640 0.000 0.000 0.201 170 D C 1.844 178.158 176.300 0.024 0.000 0.980 170 D CA 1.199 55.214 54.000 0.024 0.000 0.842 170 D CB -0.320 40.491 40.800 0.018 0.000 0.948 170 D HN 0.259 nan 8.370 nan 0.000 0.472 171 V N 1.513 121.434 119.914 0.012 0.000 2.358 171 V HA -0.199 3.921 4.120 0.000 0.000 0.246 171 V C 2.900 179.001 176.094 0.010 0.000 1.047 171 V CA 1.696 63.998 62.300 0.004 0.000 1.035 171 V CB -0.316 31.498 31.823 -0.014 0.000 0.658 171 V HN 0.332 nan 8.190 nan 0.000 0.452 172 V N -2.409 117.513 119.914 0.013 0.000 2.951 172 V HA -0.010 4.110 4.120 0.000 0.000 0.255 172 V C 1.765 177.906 176.094 0.078 0.000 1.088 172 V CA 1.703 64.016 62.300 0.022 0.000 1.109 172 V CB -0.482 31.343 31.823 0.003 0.000 0.724 172 V HN 0.404 nan 8.190 nan 0.000 0.471 173 D N 1.485 121.937 120.400 0.086 0.000 2.216 173 D HA 0.205 4.845 4.640 0.000 0.000 0.208 173 D C 1.425 177.830 176.300 0.174 0.000 0.960 173 D CA 1.254 55.342 54.000 0.148 0.000 0.861 173 D CB -0.170 40.689 40.800 0.098 0.000 0.985 173 D HN 0.608 nan 8.370 nan 0.000 0.493 174 G N 0.804 109.656 108.800 0.087 0.000 2.537 174 G HA2 0.405 4.365 3.960 0.000 0.000 0.273 174 G HA3 0.405 4.365 3.960 0.000 0.000 0.273 174 G C -2.588 172.324 174.900 0.019 0.000 1.189 174 G CA -0.897 44.228 45.100 0.041 0.000 0.881 174 G HN -0.065 nan 8.290 nan 0.000 0.535 175 P HA 0.361 nan 4.420 nan 0.000 0.274 175 P C -0.252 177.074 177.300 0.042 0.000 1.231 175 P CA -0.271 62.823 63.100 -0.010 0.000 0.790 175 P CB 1.408 33.085 31.700 -0.038 0.000 0.951 176 V N -1.509 118.465 119.914 0.100 0.000 3.188 176 V HA 0.817 4.937 4.120 0.000 0.000 0.305 176 V C -0.828 175.390 176.094 0.206 0.000 1.232 176 V CA -0.833 61.531 62.300 0.107 0.000 1.043 176 V CB 1.913 33.771 31.823 0.057 0.000 1.068 176 V HN 0.471 nan 8.190 nan 0.000 0.439 177 S N 0.011 115.812 115.700 0.168 0.000 2.536 177 S HA 1.020 5.490 4.470 0.000 0.000 0.298 177 S C -0.148 174.574 174.600 0.204 0.000 1.083 177 S CA 0.465 58.791 58.200 0.210 0.000 0.995 177 S CB 1.281 64.543 63.200 0.104 0.000 1.058 177 S HN 2.603 nan 8.310 nan 0.000 0.488 178 G N 2.458 111.426 108.800 0.279 0.000 2.337 178 G HA2 0.365 4.325 3.960 0.000 0.000 0.298 178 G HA3 0.365 4.325 3.960 0.000 0.000 0.298 178 G C -1.994 173.091 174.900 0.308 0.000 1.335 178 G CA -0.566 44.651 45.100 0.194 0.000 0.875 178 G HN 0.879 nan 8.290 nan 0.000 0.579 179 K N -1.102 119.398 120.400 0.166 0.000 2.395 179 K HA 0.821 5.141 4.320 0.000 0.000 0.247 179 K C -0.722 175.889 176.600 0.019 0.000 0.973 179 K CA -0.972 55.418 56.287 0.172 0.000 0.828 179 K CB 2.463 35.039 32.500 0.128 0.000 1.272 179 K HN 0.448 nan 8.250 nan 0.000 0.439 180 V N 2.803 122.677 119.914 -0.066 0.000 2.614 180 V HA 0.157 4.277 4.120 0.000 0.000 0.291 180 V C 0.009 175.957 176.094 -0.242 0.000 1.049 180 V CA -0.547 61.572 62.300 -0.302 0.000 1.038 180 V CB 0.614 32.056 31.823 -0.635 0.000 0.980 180 V HN 0.550 nan 8.190 nan 0.000 0.481 181 L N 7.578 128.694 121.223 -0.178 0.000 2.264 181 L HA 0.425 4.765 4.340 0.000 0.000 0.289 181 L C -2.026 174.827 176.870 -0.029 0.000 1.044 181 L CA -1.784 53.022 54.840 -0.057 0.000 0.807 181 L CB 1.397 43.428 42.059 -0.047 0.000 1.192 181 L HN 0.446 nan 8.230 nan 0.000 0.425 182 P HA 0.058 nan 4.420 nan 0.000 0.267 182 P C -0.696 176.632 177.300 0.048 0.000 1.200 182 P CA -0.260 62.945 63.100 0.176 0.000 0.772 182 P CB 1.074 32.890 31.700 0.193 0.000 0.855 183 A N 1.693 124.527 122.820 0.023 0.000 2.309 183 A HA 0.657 4.977 4.320 0.000 0.000 0.298 183 A C 0.491 178.074 177.584 -0.003 0.000 1.165 183 A CA 0.365 52.389 52.037 -0.023 0.000 0.821 183 A CB -0.146 18.812 19.000 -0.070 0.000 1.102 183 A HN 0.782 nan 8.150 nan 0.000 0.500 187 P HA 0.464 nan 4.420 nan 0.000 0.271 187 P C 0.478 177.781 177.300 0.004 0.000 1.238 187 P CA 0.264 63.367 63.100 0.006 0.000 0.794 187 P CB 0.499 32.203 31.700 0.008 0.000 0.959 188 Q N 0.963 120.765 119.800 0.004 0.000 2.513 188 Q HA 0.305 4.645 4.340 0.000 0.000 0.227 188 Q C -0.053 175.949 176.000 0.004 0.000 1.257 188 Q CA 0.010 55.814 55.803 0.003 0.000 0.915 188 Q CB -0.769 27.970 28.738 0.002 0.000 1.507 188 Q HN 0.542 nan 8.270 nan 0.000 0.543 189 M N 2.139 121.742 119.600 0.004 0.000 2.238 189 M HA 0.697 5.177 4.480 0.000 0.000 0.350 189 M C 0.365 176.667 176.300 0.003 0.000 1.138 189 M CA -0.383 54.920 55.300 0.006 0.000 1.040 189 M CB 1.576 34.180 32.600 0.007 0.000 1.639 189 M HN 0.554 nan 8.290 nan 0.000 0.451 190 G N 2.615 111.417 108.800 0.005 0.000 2.488 190 G HA2 0.687 4.647 3.960 0.000 0.000 0.318 190 G HA3 0.687 4.647 3.960 0.000 0.000 0.318 190 G C -0.570 174.331 174.900 0.002 0.000 1.188 190 G CA -0.644 44.458 45.100 0.002 0.000 0.944 190 G HN 1.044 nan 8.290 nan 0.000 0.495 191 A N -0.310 122.510 122.820 -0.000 0.000 2.504 191 A HA 0.541 4.861 4.320 0.000 0.000 0.242 191 A C 1.208 178.795 177.584 0.005 0.000 1.100 191 A CA 0.578 52.615 52.037 -0.001 0.000 0.786 191 A CB -0.361 18.637 19.000 -0.003 0.000 1.050 191 A HN 1.931 nan 8.150 nan 0.000 0.512 192 A N 1.337 124.161 122.820 0.007 0.000 2.406 192 A HA 0.525 4.845 4.320 0.000 0.000 0.243 192 A C -1.916 175.677 177.584 0.014 0.000 1.082 192 A CA -0.950 51.096 52.037 0.014 0.000 0.786 192 A CB -0.655 18.356 19.000 0.018 0.000 1.029 192 A HN 0.731 nan 8.150 nan 0.000 0.495 193 P HA -0.019 nan 4.420 nan 0.000 0.261 193 P C -0.483 176.826 177.300 0.015 0.000 1.183 193 P CA 0.387 63.496 63.100 0.016 0.000 0.761 193 P CB 0.383 32.093 31.700 0.018 0.000 0.785 194 D N 2.317 122.725 120.400 0.013 0.000 2.203 194 D HA -0.198 4.442 4.640 0.000 0.000 0.199 194 D C 1.089 177.398 176.300 0.014 0.000 0.997 194 D CA 1.690 55.697 54.000 0.012 0.000 0.863 194 D CB -0.207 40.599 40.800 0.010 0.000 0.928 194 D HN 0.475 nan 8.370 nan 0.000 0.458 195 D N -0.213 120.196 120.400 0.015 0.000 2.097 195 D HA -0.044 4.596 4.640 0.000 0.000 0.197 195 D C 2.036 178.347 176.300 0.018 0.000 0.984 195 D CA 1.399 55.408 54.000 0.015 0.000 0.826 195 D CB -0.300 40.509 40.800 0.014 0.000 0.973 195 D HN 0.188 nan 8.370 nan 0.000 0.460 196 A N 0.675 123.507 122.820 0.020 0.000 1.883 196 A HA -0.171 4.149 4.320 0.000 0.000 0.217 196 A C 2.241 179.840 177.584 0.026 0.000 1.186 196 A CA 1.081 53.133 52.037 0.024 0.000 0.624 196 A CB -0.871 18.146 19.000 0.027 0.000 0.822 196 A HN 0.202 nan 8.150 nan 0.000 0.444 197 I N -0.331 120.253 120.570 0.023 0.000 2.208 197 I HA -0.267 3.903 4.170 0.000 0.000 0.245 197 I C 2.070 178.202 176.117 0.025 0.000 1.097 197 I CA 1.659 62.974 61.300 0.024 0.000 1.363 197 I CB -0.553 37.458 38.000 0.018 0.000 1.051 197 I HN 0.324 nan 8.210 nan 0.000 0.413 198 D N 0.356 120.769 120.400 0.021 0.000 2.117 198 D HA -0.233 4.407 4.640 0.000 0.000 0.197 198 D C 2.118 178.431 176.300 0.022 0.000 0.987 198 D CA 1.274 55.287 54.000 0.021 0.000 0.829 198 D CB -0.112 40.699 40.800 0.018 0.000 0.961 198 D HN 0.440 nan 8.370 nan 0.000 0.460 199 Q N 0.572 120.385 119.800 0.022 0.000 2.061 199 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 199 Q C 2.219 178.233 176.000 0.024 0.000 0.984 199 Q CA 1.231 57.047 55.803 0.022 0.000 0.846 199 Q CB 0.163 28.915 28.738 0.022 0.000 0.902 199 Q HN 0.091 nan 8.270 nan 0.000 0.421 200 V N 0.791 120.723 119.914 0.029 0.000 2.515 200 V HA -0.215 3.905 4.120 0.000 0.000 0.250 200 V C 2.316 178.428 176.094 0.030 0.000 1.058 200 V CA 1.503 63.823 62.300 0.034 0.000 1.064 200 V CB -0.924 30.927 31.823 0.047 0.000 0.675 200 V HN 0.489 nan 8.190 nan 0.000 0.461 201 A N -0.043 122.794 122.820 0.028 0.000 1.933 201 A HA -0.187 4.133 4.320 0.000 0.000 0.218 201 A C 2.299 179.896 177.584 0.020 0.000 1.175 201 A CA 1.536 53.587 52.037 0.024 0.000 0.628 201 A CB -0.342 18.673 19.000 0.025 0.000 0.814 201 A HN 0.417 nan 8.150 nan 0.000 0.444 202 K N 0.126 120.539 120.400 0.023 0.000 2.002 202 K HA -0.043 4.278 4.320 0.000 0.000 0.209 202 K C 1.929 178.541 176.600 0.019 0.000 1.048 202 K CA 1.274 57.576 56.287 0.024 0.000 0.930 202 K CB -1.039 31.474 32.500 0.022 0.000 0.714 202 K HN 0.551 nan 8.250 nan 0.000 0.438 203 L N 0.838 122.070 121.223 0.015 0.000 2.043 203 L HA -0.216 4.124 4.340 0.000 0.000 0.212 203 L C 2.548 179.415 176.870 -0.004 0.000 1.075 203 L CA 1.250 56.094 54.840 0.008 0.000 0.752 203 L CB -0.608 41.456 42.059 0.009 0.000 0.891 203 L HN 0.109 nan 8.230 nan 0.000 0.432 204 I N -0.043 120.521 120.570 -0.011 0.000 2.142 204 I HA -0.303 3.867 4.170 0.000 0.000 0.240 204 I C 2.834 178.931 176.117 -0.033 0.000 1.078 204 I CA 1.297 62.574 61.300 -0.037 0.000 1.343 204 I CB -0.531 37.447 38.000 -0.038 0.000 1.046 204 I HN 0.224 nan 8.210 nan 0.000 0.405 205 A N -0.036 122.780 122.820 -0.008 0.000 1.978 205 A HA -0.253 4.067 4.320 0.000 0.000 0.220 205 A C 2.169 179.790 177.584 0.061 0.000 1.170 205 A CA 1.623 53.686 52.037 0.043 0.000 0.636 205 A CB -0.540 18.516 19.000 0.093 0.000 0.810 205 A HN 0.549 nan 8.150 nan 0.000 0.448 206 Q N -0.878 118.941 119.800 0.032 0.000 2.425 206 Q HA 0.316 4.656 4.340 0.000 0.000 0.204 206 Q C 0.635 176.644 176.000 0.014 0.000 0.933 206 Q CA 0.177 55.996 55.803 0.026 0.000 0.939 206 Q CB 0.018 28.767 28.738 0.019 0.000 1.044 206 Q HN 0.628 nan 8.270 nan 0.000 0.513 207 A N 1.301 124.121 122.820 0.000 0.000 2.327 207 A HA 0.241 4.561 4.320 0.000 0.000 0.283 207 A C 0.496 178.074 177.584 -0.009 0.000 1.127 207 A CA -0.498 51.531 52.037 -0.013 0.000 0.810 207 A CB 0.507 19.484 19.000 -0.039 0.000 1.066 207 A HN 0.157 nan 8.150 nan 0.000 0.492 208 K N 0.333 120.727 120.400 -0.008 0.000 2.367 208 K HA 0.153 4.473 4.320 0.000 0.000 0.195 208 K C 0.035 176.626 176.600 -0.015 0.000 1.060 208 K CA 1.075 57.360 56.287 -0.004 0.000 1.022 208 K CB 0.118 32.618 32.500 0.001 0.000 0.894 208 K HN 0.559 nan 8.250 nan 0.000 0.540 209 N N 2.056 120.741 118.700 -0.025 0.000 2.672 209 N HA 0.211 4.951 4.740 0.000 0.000 0.295 209 N C -2.832 172.645 175.510 -0.056 0.000 1.924 209 N CA -1.392 51.639 53.050 -0.033 0.000 0.851 209 N CB 1.608 40.083 38.487 -0.020 0.000 1.281 209 N HN 0.129 nan 8.380 nan 0.000 0.494 210 P HA 0.306 nan 4.420 nan 0.000 0.277 210 P C -0.638 176.540 177.300 -0.204 0.000 1.240 210 P CA -0.213 62.793 63.100 -0.157 0.000 0.798 210 P CB 2.083 33.666 31.700 -0.197 0.000 0.979 211 I N 1.019 121.425 120.570 -0.273 0.000 2.842 211 I HA 0.410 4.580 4.170 0.000 0.000 0.297 211 I C -1.506 174.426 176.117 -0.308 0.000 1.380 211 I CA -1.209 59.941 61.300 -0.250 0.000 1.018 211 I CB 1.692 39.628 38.000 -0.106 0.000 1.311 211 I HN 0.131 nan 8.210 nan 0.000 0.439 212 F N 6.642 126.577 119.950 -0.025 0.000 2.421 212 F HA 0.536 5.063 4.527 -0.000 0.000 0.337 212 F C -0.493 175.237 175.800 -0.117 0.000 1.105 212 F CA -0.813 57.153 58.000 -0.057 0.000 1.049 212 F CB 1.801 40.774 39.000 -0.044 0.000 1.139 212 F HN 0.212 nan 8.300 nan 0.000 0.479 213 L N 5.641 126.881 121.223 0.029 0.000 2.318 213 L HA 0.504 4.844 4.340 0.000 0.000 0.277 213 L C -1.227 175.573 176.870 -0.117 0.000 1.008 213 L CA -0.467 54.259 54.840 -0.191 0.000 0.846 213 L CB 0.736 42.476 42.059 -0.531 0.000 1.220 213 L HN 0.464 nan 8.230 nan 0.000 0.423 214 L N 4.940 126.123 121.223 -0.067 0.000 2.326 214 L HA 0.724 5.064 4.340 0.000 0.000 0.278 214 L C 0.868 177.750 176.870 0.020 0.000 1.092 214 L CA -0.325 54.498 54.840 -0.029 0.000 0.810 214 L CB 1.136 43.175 42.059 -0.033 0.000 1.153 214 L HN 0.760 nan 8.230 nan 0.000 0.439 215 G N 0.992 109.836 108.800 0.074 0.000 2.932 215 G HA2 0.394 4.354 3.960 0.000 0.000 0.283 215 G HA3 0.394 4.354 3.960 0.000 0.000 0.283 215 G C 0.398 175.327 174.900 0.048 0.000 1.336 215 G CA -0.732 44.449 45.100 0.136 0.000 1.056 215 G HN 0.547 nan 8.290 nan 0.000 0.522 216 L N -0.085 121.161 121.223 0.039 0.000 1.991 216 L HA -0.193 4.147 4.340 0.000 0.000 0.221 216 L C 2.623 179.487 176.870 -0.010 0.000 1.079 216 L CA 2.397 57.243 54.840 0.009 0.000 0.778 216 L CB -0.418 41.645 42.059 0.007 0.000 0.893 216 L HN 0.393 nan 8.230 nan 0.000 0.437 217 M N -0.475 119.116 119.600 -0.015 0.000 2.267 217 M HA -0.105 4.375 4.480 0.000 0.000 0.263 217 M C 2.312 178.586 176.300 -0.042 0.000 1.063 217 M CA 1.594 56.877 55.300 -0.028 0.000 1.090 217 M CB -1.990 30.590 32.600 -0.033 0.000 1.392 217 M HN 0.533 nan 8.290 nan 0.000 0.422 218 A N -0.019 122.775 122.820 -0.044 0.000 2.168 218 A HA -0.033 4.287 4.320 0.000 0.000 0.215 218 A C 2.219 179.759 177.584 -0.074 0.000 1.152 218 A CA 1.579 53.574 52.037 -0.070 0.000 0.716 218 A CB -0.647 18.306 19.000 -0.077 0.000 0.794 218 A HN 0.590 nan 8.150 nan 0.000 0.465 219 S N -0.933 114.733 115.700 -0.056 0.000 2.556 219 S HA 0.120 4.590 4.470 0.000 0.000 0.216 219 S C 0.458 175.025 174.600 -0.055 0.000 0.970 219 S CA -0.427 57.737 58.200 -0.059 0.000 0.912 219 S CB -0.064 63.106 63.200 -0.050 0.000 0.790 219 S HN 0.429 nan 8.310 nan 0.000 0.504 220 Q N 2.589 122.359 119.800 -0.049 0.000 2.352 220 Q HA 0.234 4.574 4.340 0.000 0.000 0.260 220 Q C -1.629 174.344 176.000 -0.046 0.000 0.976 220 Q CA -2.102 53.676 55.803 -0.042 0.000 0.881 220 Q CB 0.670 29.388 28.738 -0.034 0.000 1.235 220 Q HN 0.212 nan 8.270 nan 0.000 0.419 221 P HA -0.167 nan 4.420 nan 0.000 0.221 221 P C -0.008 177.269 177.300 -0.039 0.000 1.145 221 P CA 1.201 64.278 63.100 -0.039 0.000 0.795 221 P CB 0.491 32.172 31.700 -0.031 0.000 0.775 222 E N -0.157 120.022 120.200 -0.035 0.000 2.347 222 E HA -0.056 4.294 4.350 0.000 0.000 0.196 222 E C 1.375 177.949 176.600 -0.043 0.000 1.008 222 E CA 0.673 57.053 56.400 -0.034 0.000 0.852 222 E CB -0.570 29.114 29.700 -0.027 0.000 0.783 222 E HN 0.367 nan 8.360 nan 0.000 0.505 223 N N -0.638 118.030 118.700 -0.054 0.000 2.184 223 N HA 0.056 4.796 4.740 0.000 0.000 0.206 223 N C 1.159 176.619 175.510 -0.083 0.000 1.151 223 N CA 0.233 53.242 53.050 -0.069 0.000 0.878 223 N CB 0.539 38.980 38.487 -0.077 0.000 1.014 223 N HN -0.004 nan 8.380 nan 0.000 0.512 224 S N 1.775 117.431 115.700 -0.074 0.000 2.365 224 S HA -0.121 4.349 4.470 0.000 0.000 0.225 224 S C 1.800 176.351 174.600 -0.082 0.000 1.039 224 S CA 1.380 59.531 58.200 -0.081 0.000 1.033 224 S CB 0.124 63.285 63.200 -0.065 0.000 0.887 224 S HN 0.246 nan 8.310 nan 0.000 0.447 225 K N 0.586 120.947 120.400 -0.065 0.000 2.025 225 K HA 0.018 4.338 4.320 0.000 0.000 0.207 225 K C 2.487 179.045 176.600 -0.070 0.000 1.049 225 K CA 1.150 57.402 56.287 -0.059 0.000 0.933 225 K CB -0.436 32.038 32.500 -0.043 0.000 0.714 225 K HN 0.430 nan 8.250 nan 0.000 0.438 226 A N 1.596 124.372 122.820 -0.075 0.000 1.902 226 A HA -0.174 4.146 4.320 0.000 0.000 0.217 226 A C 2.110 179.621 177.584 -0.122 0.000 1.181 226 A CA 1.198 53.184 52.037 -0.084 0.000 0.623 226 A CB -0.606 18.347 19.000 -0.078 0.000 0.818 226 A HN 0.223 nan 8.150 nan 0.000 0.443 227 L N 0.250 121.385 121.223 -0.148 0.000 1.970 227 L HA -0.200 4.140 4.340 0.000 0.000 0.212 227 L C 2.530 179.268 176.870 -0.220 0.000 1.071 227 L CA 2.672 57.382 54.840 -0.215 0.000 0.751 227 L CB -0.792 41.140 42.059 -0.212 0.000 0.889 227 L HN 0.532 nan 8.230 nan 0.000 0.432 228 R N -0.519 119.881 120.500 -0.167 0.000 2.096 228 R HA -0.250 4.090 4.340 0.000 0.000 0.240 228 R C 2.545 178.787 176.300 -0.097 0.000 1.139 228 R CA 2.084 58.101 56.100 -0.138 0.000 0.952 228 R CB -0.442 29.806 30.300 -0.087 0.000 0.854 228 R HN 0.406 nan 8.270 nan 0.000 0.436 229 R N 0.275 120.727 120.500 -0.080 0.000 2.096 229 R HA -0.154 4.186 4.340 0.000 0.000 0.235 229 R C 2.381 178.649 176.300 -0.054 0.000 1.127 229 R CA 1.498 57.567 56.100 -0.051 0.000 0.968 229 R CB -0.282 29.990 30.300 -0.046 0.000 0.861 229 R HN 0.302 nan 8.270 nan 0.000 0.440 230 L N 0.805 121.968 121.223 -0.101 0.000 2.072 230 L HA -0.073 4.267 4.340 0.000 0.000 0.205 230 L C 1.892 178.725 176.870 -0.061 0.000 1.079 230 L CA 1.580 56.360 54.840 -0.100 0.000 0.752 230 L CB -0.321 41.616 42.059 -0.203 0.000 0.906 230 L HN 0.192 nan 8.230 nan 0.000 0.436 231 L N -0.641 120.491 121.223 -0.152 0.000 2.056 231 L HA -0.175 4.165 4.340 0.000 0.000 0.207 231 L C 2.534 179.528 176.870 0.207 0.000 1.078 231 L CA 1.574 56.339 54.840 -0.125 0.000 0.749 231 L CB -0.579 41.106 42.059 -0.623 0.000 0.901 231 L HN 0.393 nan 8.230 nan 0.000 0.433 232 E N -0.408 119.880 120.200 0.148 0.000 2.204 232 E HA -0.163 4.187 4.350 0.000 0.000 0.194 232 E C 1.828 178.463 176.600 0.058 0.000 0.989 232 E CA 1.398 57.946 56.400 0.247 0.000 0.824 232 E CB 0.220 29.998 29.700 0.131 0.000 0.756 232 E HN 0.393 nan 8.360 nan 0.000 0.477 233 T N -0.809 113.765 114.554 0.033 0.000 2.937 233 T HA -0.078 4.272 4.350 0.000 0.000 0.260 233 T C 1.929 176.612 174.700 -0.028 0.000 1.051 233 T CA 1.161 63.245 62.100 -0.027 0.000 1.141 233 T CB 0.029 68.894 68.868 -0.006 0.000 0.879 233 T HN 0.225 nan 8.240 nan 0.000 0.459 234 S N -0.127 115.623 115.700 0.083 0.000 2.497 234 S HA 0.071 4.541 4.470 0.000 0.000 0.221 234 S C 0.674 175.422 174.600 0.247 0.000 1.037 234 S CA 0.018 58.287 58.200 0.115 0.000 0.920 234 S CB -0.521 62.784 63.200 0.175 0.000 0.800 234 S HN 0.658 nan 8.310 nan 0.000 0.505 235 H N 0.770 119.999 119.070 0.264 0.000 2.741 235 H HA -0.098 4.458 4.556 0.000 0.000 0.305 235 H C -0.745 174.767 175.328 0.307 0.000 1.169 235 H CA 0.353 56.608 56.048 0.345 0.000 1.144 235 H CB -1.622 28.229 29.762 0.148 0.000 1.397 235 H HN 0.497 nan 8.280 nan 0.000 0.409 236 I N 1.345 122.198 120.570 0.471 0.000 2.474 236 I HA 0.123 4.293 4.170 0.000 0.000 0.287 236 I C -1.732 174.623 176.117 0.397 0.000 1.048 236 I CA -1.798 59.654 61.300 0.253 0.000 1.383 236 I CB 0.881 38.881 38.000 0.001 0.000 1.412 236 I HN -0.103 nan 8.210 nan 0.000 0.531 237 P HA 0.014 nan 4.420 nan 0.000 0.267 237 P C -1.031 176.462 177.300 0.322 0.000 1.201 237 P CA 0.114 63.349 63.100 0.224 0.000 0.775 237 P CB 0.522 32.248 31.700 0.042 0.000 0.854 238 V N 1.479 121.610 119.914 0.363 0.000 2.760 238 V HA 0.613 4.733 4.120 0.000 0.000 0.309 238 V C -0.056 176.106 176.094 0.112 0.000 1.077 238 V CA -0.339 62.146 62.300 0.308 0.000 0.910 238 V CB 2.303 34.354 31.823 0.379 0.000 1.008 238 V HN 0.539 nan 8.190 nan 0.000 0.424 239 T N 2.341 116.908 114.554 0.021 0.000 2.903 239 T HA 0.751 5.101 4.350 0.000 0.000 0.299 239 T C -0.897 173.766 174.700 -0.062 0.000 1.093 239 T CA -0.233 61.784 62.100 -0.138 0.000 1.002 239 T CB 1.830 70.576 68.868 -0.203 0.000 1.127 239 T HN 0.751 nan 8.240 nan 0.000 0.488 240 S N 1.367 117.019 115.700 -0.080 0.000 2.569 240 S HA 0.678 5.148 4.470 0.000 0.000 0.280 240 S C -0.037 174.449 174.600 -0.190 0.000 1.111 240 S CA -0.940 57.220 58.200 -0.066 0.000 0.887 240 S CB 1.809 65.044 63.200 0.059 0.000 1.095 240 S HN 1.024 nan 8.310 nan 0.000 0.476 241 T N -0.532 113.945 114.554 -0.128 0.000 2.788 241 T HA 0.359 4.709 4.350 0.000 0.000 0.280 241 T C 0.520 175.117 174.700 -0.172 0.000 0.984 241 T CA -0.222 61.807 62.100 -0.118 0.000 0.972 241 T CB 0.029 68.954 68.868 0.095 0.000 1.039 241 T HN 0.496 nan 8.240 nan 0.000 0.530 242 Y N 0.062 120.362 120.300 0.000 0.000 2.439 242 Y HA 0.003 4.553 4.550 0.000 0.000 0.292 242 Y C 3.022 178.936 175.900 0.022 0.000 1.130 242 Y CA 0.959 59.070 58.100 0.019 0.000 1.254 242 Y CB -0.346 38.130 38.460 0.025 0.000 1.000 242 Y HN 0.658 nan 8.280 nan 0.000 0.554 243 Q N -0.869 119.010 119.800 0.132 0.000 2.297 243 Q HA -0.012 4.328 4.340 0.000 0.000 0.204 243 Q C 1.542 177.558 176.000 0.027 0.000 0.962 243 Q CA 0.928 56.776 55.803 0.075 0.000 0.879 243 Q CB 0.036 28.816 28.738 0.070 0.000 0.947 243 Q HN 0.413 nan 8.270 nan 0.000 0.462 244 A N -0.319 122.508 122.820 0.013 0.000 2.574 244 A HA 0.480 4.800 4.320 0.000 0.000 0.283 244 A C 1.651 179.215 177.584 -0.033 0.000 1.270 244 A CA 0.445 52.474 52.037 -0.014 0.000 0.945 244 A CB 0.034 19.030 19.000 -0.007 0.000 1.127 244 A HN 0.275 nan 8.150 nan 0.000 0.522 245 A N -0.037 122.762 122.820 -0.035 0.000 1.958 245 A HA -0.035 4.285 4.320 0.000 0.000 0.221 245 A C 2.060 179.619 177.584 -0.042 0.000 1.178 245 A CA 2.047 54.057 52.037 -0.046 0.000 0.642 245 A CB -0.769 18.235 19.000 0.006 0.000 0.816 245 A HN 0.912 nan 8.150 nan 0.000 0.453 246 G N -1.882 106.887 108.800 -0.051 0.000 3.042 246 G HA2 0.326 4.286 3.960 0.000 0.000 0.212 246 G HA3 0.326 4.286 3.960 0.000 0.000 0.212 246 G C 1.361 176.200 174.900 -0.102 0.000 1.166 246 G CA 0.978 46.034 45.100 -0.073 0.000 0.767 246 G HN 0.717 nan 8.290 nan 0.000 0.546 247 A N -0.186 122.574 122.820 -0.100 0.000 1.883 247 A HA 0.285 4.605 4.320 0.000 0.000 0.217 247 A C 0.915 178.396 177.584 -0.171 0.000 1.186 247 A CA 1.360 53.327 52.037 -0.117 0.000 0.624 247 A CB -0.068 18.874 19.000 -0.097 0.000 0.822 247 A HN 0.354 nan 8.150 nan 0.000 0.444 248 V N -1.181 118.584 119.914 -0.249 0.000 2.971 248 V HA 0.499 4.619 4.120 0.000 0.000 0.309 248 V C -0.846 174.795 176.094 -0.754 0.000 1.130 248 V CA -0.833 61.232 62.300 -0.392 0.000 0.964 248 V CB 1.974 33.592 31.823 -0.342 0.000 1.029 248 V HN 0.515 nan 8.190 nan 0.000 0.427 249 N N 0.540 118.846 118.700 -0.657 0.000 2.629 249 N HA 0.395 5.135 4.740 0.000 0.000 0.279 249 N C 0.492 175.733 175.510 -0.448 0.000 1.344 249 N CA -0.600 52.041 53.050 -0.681 0.000 0.789 249 N CB 2.077 40.421 38.487 -0.239 0.000 1.508 249 N HN 0.600 nan 8.380 nan 0.000 0.516 250 Q N 0.175 119.916 119.800 -0.099 0.000 2.135 250 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 250 Q C 0.281 176.328 176.000 0.079 0.000 0.981 250 Q CA 2.118 58.015 55.803 0.157 0.000 0.856 250 Q CB -0.247 28.637 28.738 0.244 0.000 0.902 250 Q HN 0.697 nan 8.270 nan 0.000 0.425 251 D N -0.485 119.941 120.400 0.043 0.000 2.097 251 D HA -0.156 4.484 4.640 0.000 0.000 0.195 251 D C 1.159 177.480 176.300 0.035 0.000 0.989 251 D CA 1.643 55.665 54.000 0.037 0.000 0.827 251 D CB -0.382 40.436 40.800 0.030 0.000 0.966 251 D HN 0.715 nan 8.370 nan 0.000 0.456 252 N N -1.280 117.437 118.700 0.029 0.000 2.398 252 N HA -0.063 4.677 4.740 0.000 0.000 0.188 252 N C -0.415 175.205 175.510 0.183 0.000 1.122 252 N CA -0.067 53.020 53.050 0.063 0.000 0.866 252 N CB 0.331 38.828 38.487 0.016 0.000 0.970 252 N HN 0.037 nan 8.380 nan 0.000 0.462 253 F N 1.907 121.828 119.950 -0.048 0.000 3.051 253 F HA 0.224 4.751 4.527 -0.000 0.000 0.363 253 F C 0.822 176.629 175.800 0.011 0.000 1.257 253 F CA -1.587 56.395 58.000 -0.030 0.000 1.126 253 F CB 1.012 40.008 39.000 -0.006 0.000 1.476 253 F HN 0.021 nan 8.300 nan 0.000 0.576 254 S N 3.201 118.702 115.700 -0.332 0.000 2.440 254 S HA -0.132 4.338 4.470 0.000 0.000 0.238 254 S C 1.400 175.790 174.600 -0.351 0.000 1.010 254 S CA 0.920 58.953 58.200 -0.277 0.000 0.972 254 S CB -0.275 62.768 63.200 -0.261 0.000 0.774 254 S HN 0.734 nan 8.310 nan 0.000 0.501 255 R N 0.047 120.106 120.500 -0.734 0.000 2.480 255 R HA 0.333 4.673 4.340 0.000 0.000 0.277 255 R C -0.466 175.790 176.300 -0.074 0.000 1.008 255 R CA -0.469 55.340 56.100 -0.484 0.000 1.090 255 R CB -0.142 29.791 30.300 -0.612 0.000 1.234 255 R HN 0.426 nan 8.270 nan 0.000 0.549 256 F N 0.722 120.646 119.950 -0.043 0.000 2.484 256 F HA 0.168 4.695 4.527 -0.000 0.000 0.360 256 F C 0.824 176.635 175.800 0.019 0.000 1.101 256 F CA -0.764 57.321 58.000 0.141 0.000 1.251 256 F CB 0.920 40.005 39.000 0.142 0.000 1.132 256 F HN -0.038 nan 8.300 nan 0.000 0.570 257 A N 4.271 126.690 122.820 -0.669 0.000 2.503 257 A HA 0.608 4.928 4.320 0.000 0.000 0.263 257 A C 0.777 177.912 177.584 -0.747 0.000 1.258 257 A CA 0.309 52.016 52.037 -0.550 0.000 0.936 257 A CB -1.080 17.743 19.000 -0.294 0.000 1.070 257 A HN 1.794 nan 8.150 nan 0.000 0.522 258 G N -0.547 107.346 108.800 -1.511 0.000 2.685 258 G HA2 -0.007 3.953 3.960 0.000 0.000 0.387 258 G HA3 -0.007 3.953 3.960 0.000 0.000 0.387 258 G C -0.729 173.854 174.900 -0.529 0.000 1.324 258 G CA -0.825 43.766 45.100 -0.848 0.000 0.878 258 G HN 0.514 nan 8.290 nan 0.000 0.527 259 R N -0.648 119.713 120.500 -0.231 0.000 2.297 259 R HA 0.622 4.962 4.340 0.000 0.000 0.308 259 R C 0.583 176.685 176.300 -0.330 0.000 1.029 259 R CA 0.118 56.001 56.100 -0.361 0.000 0.929 259 R CB 1.454 31.350 30.300 -0.674 0.000 1.046 259 R HN 1.327 nan 8.270 nan 0.000 0.461 260 V N 0.529 120.199 119.914 -0.407 0.000 2.667 260 V HA 0.933 5.053 4.120 0.000 0.000 0.308 260 V C 0.838 176.526 176.094 -0.677 0.000 1.048 260 V CA 0.035 62.069 62.300 -0.444 0.000 0.928 260 V CB 1.520 33.059 31.823 -0.474 0.000 1.004 260 V HN 0.833 nan 8.190 nan 0.000 0.444 261 G N 1.881 110.305 108.800 -0.626 0.000 2.367 261 G HA2 -0.138 3.822 3.960 0.000 0.000 0.181 261 G HA3 -0.138 3.822 3.960 0.000 0.000 0.181 261 G C -0.028 174.907 174.900 0.059 0.000 1.000 261 G CA 0.402 45.260 45.100 -0.404 0.000 0.693 261 G HN 1.036 nan 8.290 nan 0.000 0.480 262 L N -0.481 120.726 121.223 -0.027 0.000 2.664 262 L HA 0.698 5.038 4.340 0.000 0.000 0.198 262 L C 0.201 176.653 176.870 -0.696 0.000 1.057 262 L CA 0.353 54.950 54.840 -0.405 0.000 0.871 262 L CB 0.110 41.720 42.059 -0.749 0.000 1.364 262 L HN 0.062 nan 8.230 nan 0.000 0.483 263 F N 0.930 120.757 119.950 -0.204 0.000 2.397 263 F HA 0.254 4.781 4.527 -0.000 0.000 0.331 263 F C 1.121 176.576 175.800 -0.577 0.000 1.090 263 F CA -0.542 57.263 58.000 -0.325 0.000 1.065 263 F CB 0.576 39.475 39.000 -0.169 0.000 1.184 263 F HN 0.169 nan 8.300 nan 0.000 0.499 264 N N 0.032 118.529 118.700 -0.338 0.000 2.370 264 N HA -0.043 4.697 4.740 0.000 0.000 0.198 264 N C -0.252 175.248 175.510 -0.016 0.000 1.156 264 N CA 0.089 52.991 53.050 -0.247 0.000 0.839 264 N CB -0.632 37.819 38.487 -0.061 0.000 0.989 264 N HN 0.598 nan 8.380 nan 0.000 0.468 265 N N -1.592 117.105 118.700 -0.006 0.000 2.241 265 N HA 0.044 4.784 4.740 0.000 0.000 0.238 265 N C -0.674 174.823 175.510 -0.022 0.000 1.244 265 N CA -0.444 52.602 53.050 -0.006 0.000 0.880 265 N CB 0.185 38.654 38.487 -0.030 0.000 1.179 265 N HN -0.036 nan 8.380 nan 0.000 0.513 266 Q N 0.492 120.290 119.800 -0.003 0.000 2.352 266 Q HA 0.285 4.625 4.340 0.000 0.000 0.260 266 Q C 0.998 176.966 176.000 -0.053 0.000 0.976 266 Q CA 0.278 56.058 55.803 -0.038 0.000 0.881 266 Q CB 1.297 30.021 28.738 -0.024 0.000 1.235 266 Q HN 0.419 nan 8.270 nan 0.000 0.419 267 A N 2.975 125.731 122.820 -0.107 0.000 2.015 267 A HA -0.094 4.226 4.320 0.000 0.000 0.219 267 A C 1.890 179.415 177.584 -0.098 0.000 1.163 267 A CA 1.686 53.658 52.037 -0.108 0.000 0.646 267 A CB -0.644 18.266 19.000 -0.150 0.000 0.806 267 A HN 0.842 nan 8.150 nan 0.000 0.448 268 G N -0.142 108.580 108.800 -0.130 0.000 2.418 268 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 268 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 268 G C 1.191 176.072 174.900 -0.030 0.000 1.158 268 G CA 1.158 46.186 45.100 -0.120 0.000 0.771 268 G HN 0.474 nan 8.290 nan 0.000 0.545 269 D N 0.469 120.890 120.400 0.035 0.000 2.144 269 D HA -0.037 4.603 4.640 0.000 0.000 0.200 269 D C 2.717 179.076 176.300 0.098 0.000 0.978 269 D CA 0.524 54.606 54.000 0.136 0.000 0.833 269 D CB -0.152 40.779 40.800 0.219 0.000 0.961 269 D HN 0.277 nan 8.370 nan 0.000 0.470 270 R N 0.218 120.747 120.500 0.048 0.000 2.115 270 R HA 0.007 4.347 4.340 0.000 0.000 0.230 270 R C 2.491 178.801 176.300 0.018 0.000 1.111 270 R CA 0.521 56.639 56.100 0.030 0.000 0.976 270 R CB -0.175 30.125 30.300 0.001 0.000 0.870 270 R HN 0.216 nan 8.270 nan 0.000 0.445 271 L N 0.333 121.555 121.223 -0.001 0.000 2.131 271 L HA -0.096 4.244 4.340 0.000 0.000 0.206 271 L C 2.245 179.124 176.870 0.015 0.000 1.087 271 L CA 0.824 55.657 54.840 -0.011 0.000 0.767 271 L CB -0.276 41.759 42.059 -0.040 0.000 0.917 271 L HN 0.166 nan 8.230 nan 0.000 0.441 272 L N -0.657 120.592 121.223 0.043 0.000 2.056 272 L HA -0.215 4.125 4.340 0.000 0.000 0.207 272 L C 2.607 179.558 176.870 0.134 0.000 1.078 272 L CA 1.306 56.209 54.840 0.104 0.000 0.749 272 L CB -0.449 41.713 42.059 0.172 0.000 0.901 272 L HN 0.311 nan 8.230 nan 0.000 0.433 273 Q N -0.498 119.371 119.800 0.116 0.000 2.291 273 Q HA -0.202 4.138 4.340 0.000 0.000 0.205 273 Q C 2.080 178.112 176.000 0.053 0.000 0.970 273 Q CA 1.108 56.964 55.803 0.087 0.000 0.876 273 Q CB -0.047 28.736 28.738 0.074 0.000 0.935 273 Q HN 0.380 nan 8.270 nan 0.000 0.455 274 L N -0.074 121.173 121.223 0.040 0.000 2.375 274 L HA 0.261 4.601 4.340 0.000 0.000 0.215 274 L C 0.550 177.430 176.870 0.017 0.000 1.108 274 L CA 0.224 55.075 54.840 0.020 0.000 0.830 274 L CB -0.170 41.892 42.059 0.006 0.000 0.959 274 L HN -0.040 nan 8.230 nan 0.000 0.457 275 A N 0.396 123.232 122.820 0.025 0.000 2.561 275 A HA 0.075 4.395 4.320 0.000 0.000 0.234 275 A C 0.753 178.348 177.584 0.020 0.000 1.055 275 A CA 0.597 52.644 52.037 0.017 0.000 0.756 275 A CB -0.114 18.903 19.000 0.028 0.000 0.986 275 A HN 0.593 nan 8.150 nan 0.000 0.505 276 D N 0.255 120.658 120.400 0.004 0.000 2.441 276 D HA 0.218 4.858 4.640 0.000 0.000 0.210 276 D C -0.213 176.090 176.300 0.005 0.000 1.102 276 D CA 0.080 54.084 54.000 0.006 0.000 0.840 276 D CB 0.272 41.071 40.800 -0.001 0.000 0.990 276 D HN 0.308 nan 8.370 nan 0.000 0.505 277 L N 1.013 122.234 121.223 -0.003 0.000 2.580 277 L HA 0.383 4.723 4.340 0.000 0.000 0.266 277 L C -2.008 174.850 176.870 -0.021 0.000 0.955 277 L CA -0.700 54.134 54.840 -0.010 0.000 0.886 277 L CB 2.171 44.208 42.059 -0.037 0.000 1.263 277 L HN -0.213 nan 8.230 nan 0.000 0.406 278 V N 6.470 126.404 119.914 0.032 0.000 2.409 278 V HA 0.530 4.650 4.120 0.000 0.000 0.291 278 V C -0.025 176.108 176.094 0.066 0.000 1.020 278 V CA -0.337 61.988 62.300 0.042 0.000 0.848 278 V CB 1.718 33.638 31.823 0.161 0.000 0.990 278 V HN 0.601 nan 8.190 nan 0.000 0.430 279 I N 4.311 124.900 120.570 0.031 0.000 2.354 279 I HA 0.355 4.525 4.170 0.000 0.000 0.286 279 I C -0.259 175.968 176.117 0.182 0.000 1.007 279 I CA -0.158 61.223 61.300 0.136 0.000 1.167 279 I CB 1.225 39.346 38.000 0.201 0.000 1.320 279 I HN 0.519 nan 8.210 nan 0.000 0.458 280 C N 7.318 126.718 119.300 0.167 0.000 2.369 280 C HA 0.549 5.009 4.460 0.000 0.000 0.358 280 C C 0.360 175.403 174.990 0.088 0.000 1.274 280 C CA -0.515 58.575 59.018 0.120 0.000 1.935 280 C CB -0.179 27.726 27.740 0.274 0.000 2.431 280 C HN 0.536 nan 8.230 nan 0.000 0.545 281 I N 2.740 123.335 120.570 0.043 0.000 2.418 281 I HA 0.460 4.630 4.170 0.000 0.000 0.287 281 I C 1.011 177.122 176.117 -0.010 0.000 1.008 281 I CA 0.070 61.353 61.300 -0.028 0.000 1.104 281 I CB 1.241 39.191 38.000 -0.084 0.000 1.264 281 I HN 0.943 nan 8.210 nan 0.000 0.438 282 G N 4.358 113.127 108.800 -0.051 0.000 2.225 282 G HA2 -0.331 3.629 3.960 0.000 0.000 0.267 282 G HA3 -0.331 3.629 3.960 0.000 0.000 0.267 282 G C -0.344 174.586 174.900 0.051 0.000 1.024 282 G CA 0.237 45.322 45.100 -0.026 0.000 0.784 282 G HN 0.656 nan 8.290 nan 0.000 0.507 283 Y N 0.615 120.891 120.300 -0.040 0.000 2.387 283 Y HA 0.689 5.239 4.550 0.000 0.000 0.330 283 Y C 0.073 175.992 175.900 0.033 0.000 1.133 283 Y CA -0.792 57.306 58.100 -0.004 0.000 1.152 283 Y CB 2.122 40.577 38.460 -0.009 0.000 1.215 283 Y HN 0.342 nan 8.280 nan 0.000 0.466 284 S N 6.138 121.255 115.700 -0.973 0.000 2.571 284 S HA 0.390 4.860 4.470 0.000 0.000 0.284 284 S C -2.250 171.678 174.600 -1.119 0.000 1.128 284 S CA -1.708 56.022 58.200 -0.784 0.000 0.970 284 S CB 1.668 64.686 63.200 -0.303 0.000 1.039 284 S HN 0.580 nan 8.310 nan 0.000 0.485 285 P HA -0.163 nan 4.420 nan 0.000 0.218 285 P C 1.483 178.708 177.300 -0.125 0.000 1.152 285 P CA 0.924 63.814 63.100 -0.350 0.000 0.857 285 P CB 0.120 31.748 31.700 -0.119 0.000 0.787 286 V N -0.037 119.812 119.914 -0.108 0.000 2.688 286 V HA -0.257 3.863 4.120 0.000 0.000 0.256 286 V C 1.904 178.022 176.094 0.041 0.000 1.084 286 V CA 1.936 64.232 62.300 -0.006 0.000 1.103 286 V CB -0.886 30.946 31.823 0.015 0.000 0.688 286 V HN 0.173 nan 8.190 nan 0.000 0.480 287 E N -1.176 119.025 120.200 0.002 0.000 2.208 287 E HA -0.070 4.280 4.350 0.000 0.000 0.193 287 E C -0.178 176.633 176.600 0.351 0.000 0.988 287 E CA 0.751 57.236 56.400 0.141 0.000 0.828 287 E CB 0.203 29.976 29.700 0.121 0.000 0.763 287 E HN 0.637 nan 8.360 nan 0.000 0.478 288 Y N 0.694 121.143 120.300 0.249 0.000 2.252 288 Y HA 0.104 4.654 4.550 -0.000 0.000 0.318 288 Y C -1.358 174.792 175.900 0.418 0.000 1.220 288 Y CA -1.513 56.774 58.100 0.312 0.000 1.207 288 Y CB 0.288 38.926 38.460 0.297 0.000 1.244 288 Y HN -0.178 nan 8.280 nan 0.000 0.404 289 E N 7.885 128.172 120.200 0.145 0.000 3.072 289 E HA -0.051 4.299 4.350 0.000 0.000 0.241 289 E C -1.758 174.720 176.600 -0.203 0.000 0.962 289 E CA -0.363 56.019 56.400 -0.031 0.000 0.955 289 E CB 0.855 30.515 29.700 -0.066 0.000 0.899 289 E HN 0.444 nan 8.360 nan 0.000 0.547 290 P HA -0.232 nan 4.420 nan 0.000 0.218 290 P C 0.695 177.478 177.300 -0.861 0.000 1.146 290 P CA 1.662 64.341 63.100 -0.702 0.000 0.813 290 P CB 0.170 31.689 31.700 -0.301 0.000 0.778 291 A N -1.176 121.379 122.820 -0.442 0.000 2.019 291 A HA -0.174 4.146 4.320 0.000 0.000 0.219 291 A C 2.011 179.391 177.584 -0.339 0.000 1.164 291 A CA 1.487 53.323 52.037 -0.335 0.000 0.644 291 A CB -1.194 17.687 19.000 -0.199 0.000 0.805 291 A HN 0.069 nan 8.150 nan 0.000 0.449 292 M N -1.117 118.249 119.600 -0.391 0.000 2.319 292 M HA -0.033 4.447 4.480 0.000 0.000 0.265 292 M C 1.798 178.018 176.300 -0.134 0.000 1.068 292 M CA 0.882 56.008 55.300 -0.290 0.000 1.118 292 M CB -0.851 31.519 32.600 -0.383 0.000 1.395 292 M HN 0.983 nan 8.290 nan 0.000 0.435 293 W N -1.870 119.271 121.300 -0.265 0.000 2.661 293 W HA 0.310 4.970 4.660 -0.000 0.000 0.288 293 W C 0.139 176.619 176.519 -0.065 0.000 1.014 293 W CA -0.430 56.846 57.345 -0.116 0.000 1.396 293 W CB -0.548 28.865 29.460 -0.079 0.000 0.963 293 W HN 0.034 nan 8.180 nan 0.000 0.584 294 N N 2.967 121.182 118.700 -0.807 0.000 2.469 294 N HA 0.063 4.803 4.740 0.000 0.000 0.239 294 N C 1.128 176.465 175.510 -0.288 0.000 1.053 294 N CA 0.680 53.360 53.050 -0.616 0.000 0.937 294 N CB 1.302 39.193 38.487 -0.993 0.000 1.163 294 N HN 0.096 nan 8.380 nan 0.000 0.509 295 S N 1.920 117.547 115.700 -0.121 0.000 2.453 295 S HA 0.059 4.529 4.470 0.000 0.000 0.231 295 S C 1.428 175.981 174.600 -0.079 0.000 1.005 295 S CA 0.661 58.814 58.200 -0.079 0.000 0.949 295 S CB -0.224 62.960 63.200 -0.026 0.000 0.774 295 S HN 0.742 nan 8.310 nan 0.000 0.510 296 G N 2.496 111.247 108.800 -0.082 0.000 2.175 296 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 296 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 296 G C 0.106 174.986 174.900 -0.033 0.000 0.982 296 G CA 0.119 45.180 45.100 -0.065 0.000 0.641 296 G HN 0.882 nan 8.290 nan 0.000 0.527 297 N N -0.340 118.349 118.700 -0.018 0.000 2.635 297 N HA 0.614 5.354 4.740 0.000 0.000 0.307 297 N C -0.053 175.461 175.510 0.007 0.000 1.433 297 N CA 0.058 53.103 53.050 -0.007 0.000 0.973 297 N CB 1.091 39.573 38.487 -0.007 0.000 1.304 297 N HN 0.941 nan 8.380 nan 0.000 0.507 298 A N 0.331 123.160 122.820 0.014 0.000 2.517 298 A HA 0.425 4.745 4.320 0.000 0.000 0.297 298 A C -0.315 177.287 177.584 0.031 0.000 1.050 298 A CA -0.602 51.452 52.037 0.029 0.000 0.694 298 A CB 1.289 20.322 19.000 0.055 0.000 1.277 298 A HN 0.188 nan 8.150 nan 0.000 0.400 299 T N 2.188 116.757 114.554 0.025 0.000 2.867 299 T HA 0.321 4.671 4.350 0.000 0.000 0.297 299 T C -0.124 174.604 174.700 0.048 0.000 0.989 299 T CA 0.697 62.812 62.100 0.025 0.000 1.159 299 T CB -0.171 68.708 68.868 0.017 0.000 0.928 299 T HN 0.582 nan 8.240 nan 0.000 0.538 300 L N 6.145 127.397 121.223 0.049 0.000 2.287 300 L HA 0.584 4.924 4.340 0.000 0.000 0.287 300 L C -0.776 176.139 176.870 0.076 0.000 1.022 300 L CA -0.348 54.544 54.840 0.087 0.000 0.814 300 L CB 1.252 43.351 42.059 0.067 0.000 1.217 300 L HN 0.412 nan 8.230 nan 0.000 0.420 301 V N 4.688 124.674 119.914 0.120 0.000 2.448 301 V HA 0.359 4.479 4.120 0.000 0.000 0.295 301 V C -0.943 175.273 176.094 0.204 0.000 1.025 301 V CA -0.686 61.689 62.300 0.125 0.000 0.859 301 V CB 1.488 33.371 31.823 0.100 0.000 0.988 301 V HN 0.824 nan 8.190 nan 0.000 0.431 302 H N 5.049 124.175 119.070 0.092 0.000 2.511 302 H HA 0.707 5.263 4.556 0.000 0.000 0.328 302 H C -0.987 174.411 175.328 0.116 0.000 1.044 302 H CA -0.476 55.662 56.048 0.150 0.000 1.212 302 H CB 1.128 30.955 29.762 0.107 0.000 1.428 302 H HN 0.581 nan 8.280 nan 0.000 0.483 303 I N 5.145 125.524 120.570 -0.317 0.000 2.447 303 I HA 0.312 4.482 4.170 0.000 0.000 0.287 303 I C -0.906 174.991 176.117 -0.366 0.000 1.023 303 I CA -0.455 60.707 61.300 -0.230 0.000 1.083 303 I CB 1.656 39.608 38.000 -0.079 0.000 1.245 303 I HN 0.681 nan 8.210 nan 0.000 0.434 304 D N 2.895 123.141 120.400 -0.257 0.000 2.725 304 D HA 0.192 4.832 4.640 0.000 0.000 0.292 304 D C 0.243 176.518 176.300 -0.042 0.000 1.288 304 D CA -0.473 53.431 54.000 -0.159 0.000 0.784 304 D CB 1.923 42.607 40.800 -0.193 0.000 1.308 304 D HN 0.196 nan 8.370 nan 0.000 0.429 305 V N -0.850 119.048 119.914 -0.026 0.000 3.573 305 V HA 0.390 4.510 4.120 0.000 0.000 0.270 305 V C 0.469 176.574 176.094 0.018 0.000 1.221 305 V CA 0.648 62.946 62.300 -0.004 0.000 1.163 305 V CB -1.015 30.803 31.823 -0.008 0.000 0.847 305 V HN 0.297 nan 8.190 nan 0.000 0.468 306 L N -0.824 120.417 121.223 0.030 0.000 2.415 306 L HA 0.591 4.931 4.340 0.000 0.000 0.256 306 L C -2.753 174.178 176.870 0.102 0.000 1.010 306 L CA -2.119 52.746 54.840 0.041 0.000 0.826 306 L CB 2.533 44.575 42.059 -0.029 0.000 1.405 306 L HN -0.146 nan 8.230 nan 0.000 0.410 307 P HA 0.040 nan 4.420 nan 0.000 0.270 307 P C -0.809 176.482 177.300 -0.014 0.000 1.227 307 P CA -0.181 62.971 63.100 0.087 0.000 0.788 307 P CB 0.496 32.252 31.700 0.094 0.000 0.926 308 A N 1.907 124.580 122.820 -0.245 0.000 2.440 308 A HA 0.118 4.438 4.320 0.000 0.000 0.251 308 A C -0.364 177.250 177.584 0.050 0.000 1.089 308 A CA -0.086 51.678 52.037 -0.455 0.000 0.779 308 A CB -0.644 17.897 19.000 -0.765 0.000 1.022 308 A HN 0.576 nan 8.150 nan 0.000 0.492 309 Y N 2.173 122.486 120.300 0.021 0.000 2.667 309 Y HA 0.061 4.611 4.550 0.000 0.000 0.340 309 Y C 0.703 176.660 175.900 0.095 0.000 1.303 309 Y CA -0.565 57.561 58.100 0.043 0.000 1.769 309 Y CB -0.190 38.291 38.460 0.035 0.000 1.804 309 Y HN 0.750 nan 8.280 nan 0.000 0.451 310 E N 2.394 122.712 120.200 0.196 0.000 2.508 310 E HA -0.100 4.250 4.350 0.000 0.000 0.266 310 E C 0.034 176.713 176.600 0.131 0.000 1.010 310 E CA 0.664 57.142 56.400 0.130 0.000 0.955 310 E CB 0.717 30.427 29.700 0.018 0.000 0.946 310 E HN 0.609 nan 8.360 nan 0.000 0.454 311 E N 0.747 121.027 120.200 0.133 0.000 2.456 311 E HA 0.126 4.476 4.350 0.000 0.000 0.276 311 E C 0.437 177.062 176.600 0.042 0.000 0.981 311 E CA -0.606 55.845 56.400 0.086 0.000 0.814 311 E CB 0.925 30.691 29.700 0.110 0.000 1.382 311 E HN 0.542 nan 8.360 nan 0.000 0.459 312 R N 0.548 121.053 120.500 0.008 0.000 2.152 312 R HA 0.015 4.355 4.340 0.000 0.000 0.232 312 R C 0.707 176.985 176.300 -0.036 0.000 1.117 312 R CA 1.364 57.453 56.100 -0.019 0.000 0.981 312 R CB -0.200 30.082 30.300 -0.031 0.000 0.870 312 R HN 0.229 nan 8.270 nan 0.000 0.451 313 N N -0.724 117.956 118.700 -0.034 0.000 2.214 313 N HA -0.001 4.739 4.740 0.000 0.000 0.214 313 N C -1.124 174.379 175.510 -0.011 0.000 1.132 313 N CA 0.085 53.081 53.050 -0.092 0.000 0.856 313 N CB 0.786 39.160 38.487 -0.189 0.000 1.020 313 N HN 0.189 nan 8.380 nan 0.000 0.509 314 Y N 0.858 121.111 120.300 -0.078 0.000 2.544 314 Y HA 0.246 4.796 4.550 0.000 0.000 0.347 314 Y C -0.877 175.032 175.900 0.014 0.000 1.089 314 Y CA -0.537 57.564 58.100 0.001 0.000 1.230 314 Y CB 0.367 38.888 38.460 0.103 0.000 1.101 314 Y HN -0.270 nan 8.280 nan 0.000 0.641 315 T N 6.085 120.512 114.554 -0.211 0.000 3.155 315 T HA 0.328 4.678 4.350 0.000 0.000 0.384 315 T C -2.591 171.967 174.700 -0.238 0.000 1.351 315 T CA -1.270 60.705 62.100 -0.209 0.000 1.198 315 T CB 0.590 69.398 68.868 -0.101 0.000 1.106 315 T HN 0.276 nan 8.240 nan 0.000 0.564 316 P HA 0.073 nan 4.420 nan 0.000 0.267 316 P C 0.395 177.637 177.300 -0.097 0.000 1.195 316 P CA -0.010 62.961 63.100 -0.215 0.000 0.773 316 P CB 0.723 32.298 31.700 -0.209 0.000 0.837 317 D N -0.271 120.106 120.400 -0.040 0.000 2.338 317 D HA 0.059 4.699 4.640 0.000 0.000 0.208 317 D C -0.015 176.285 176.300 -0.000 0.000 0.997 317 D CA 0.923 54.912 54.000 -0.018 0.000 0.880 317 D CB 0.446 41.243 40.800 -0.005 0.000 0.980 317 D HN 0.062 nan 8.370 nan 0.000 0.509 318 V N 1.605 121.530 119.914 0.018 0.000 2.524 318 V HA 0.244 4.364 4.120 0.000 0.000 0.297 318 V C -0.509 175.627 176.094 0.070 0.000 1.035 318 V CA -0.742 61.580 62.300 0.038 0.000 0.867 318 V CB 2.543 34.392 31.823 0.043 0.000 1.004 318 V HN -0.137 nan 8.190 nan 0.000 0.426 319 E N 4.969 125.212 120.200 0.072 0.000 2.113 319 E HA 0.552 4.902 4.350 0.000 0.000 0.273 319 E C -1.201 175.471 176.600 0.119 0.000 0.924 319 E CA -0.522 55.958 56.400 0.133 0.000 0.764 319 E CB 1.986 31.742 29.700 0.093 0.000 1.104 319 E HN 0.539 nan 8.360 nan 0.000 0.406 320 L N 4.098 125.397 121.223 0.127 0.000 2.277 320 L HA 0.426 4.766 4.340 0.000 0.000 0.284 320 L C -0.635 176.278 176.870 0.072 0.000 1.028 320 L CA -0.847 54.037 54.840 0.074 0.000 0.835 320 L CB 1.151 43.236 42.059 0.043 0.000 1.215 320 L HN 0.225 nan 8.230 nan 0.000 0.425 321 V N 2.689 122.646 119.914 0.072 0.000 2.417 321 V HA 0.951 5.071 4.120 0.000 0.000 0.291 321 V C 0.518 176.633 176.094 0.035 0.000 1.024 321 V CA -0.168 62.170 62.300 0.064 0.000 0.861 321 V CB 1.304 33.175 31.823 0.082 0.000 0.985 321 V HN 1.010 nan 8.190 nan 0.000 0.436 322 G N 3.370 112.182 108.800 0.020 0.000 2.351 322 G HA2 0.078 4.038 3.960 0.000 0.000 0.279 322 G HA3 0.078 4.038 3.960 0.000 0.000 0.279 322 G C -1.349 173.551 174.900 -0.001 0.000 1.297 322 G CA -0.674 44.433 45.100 0.011 0.000 0.886 322 G HN 0.582 nan 8.290 nan 0.000 0.493 323 D N 0.628 121.026 120.400 -0.004 0.000 2.363 323 D HA 0.153 4.793 4.640 0.000 0.000 0.263 323 D C 1.724 178.011 176.300 -0.022 0.000 1.258 323 D CA -0.144 53.849 54.000 -0.012 0.000 0.907 323 D CB 0.549 41.343 40.800 -0.010 0.000 1.107 323 D HN 0.336 nan 8.370 nan 0.000 0.495 324 I N 3.705 124.256 120.570 -0.032 0.000 2.118 324 I HA -0.351 3.819 4.170 0.000 0.000 0.241 324 I C 2.513 178.600 176.117 -0.051 0.000 1.070 324 I CA 1.402 62.674 61.300 -0.047 0.000 1.327 324 I CB -0.264 37.701 38.000 -0.058 0.000 1.034 324 I HN 0.485 nan 8.210 nan 0.000 0.405 325 A N 0.926 123.717 122.820 -0.048 0.000 1.892 325 A HA -0.189 4.131 4.320 0.000 0.000 0.218 325 A C 2.427 179.987 177.584 -0.041 0.000 1.188 325 A CA 2.192 54.199 52.037 -0.050 0.000 0.631 325 A CB -1.542 17.433 19.000 -0.043 0.000 0.822 325 A HN 0.507 nan 8.150 nan 0.000 0.447 326 G N -1.396 107.386 108.800 -0.030 0.000 2.421 326 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 326 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 326 G C 1.599 176.486 174.900 -0.022 0.000 1.171 326 G CA 1.660 46.746 45.100 -0.022 0.000 0.775 326 G HN 0.428 nan 8.290 nan 0.000 0.543 327 T N 1.559 116.100 114.554 -0.023 0.000 2.652 327 T HA -0.084 4.266 4.350 0.000 0.000 0.267 327 T C 2.439 177.124 174.700 -0.025 0.000 1.039 327 T CA 1.178 63.267 62.100 -0.018 0.000 1.153 327 T CB -0.297 68.560 68.868 -0.018 0.000 0.863 327 T HN 0.148 nan 8.240 nan 0.000 0.428 328 L N 1.127 122.322 121.223 -0.046 0.000 2.042 328 L HA -0.141 4.199 4.340 0.000 0.000 0.210 328 L C 2.647 179.487 176.870 -0.049 0.000 1.076 328 L CA 1.092 55.894 54.840 -0.064 0.000 0.749 328 L CB -0.750 41.244 42.059 -0.108 0.000 0.893 328 L HN 0.254 nan 8.230 nan 0.000 0.432 329 N N 0.543 119.217 118.700 -0.042 0.000 2.104 329 N HA -0.175 4.565 4.740 0.000 0.000 0.190 329 N C 1.799 177.298 175.510 -0.019 0.000 1.024 329 N CA 1.335 54.366 53.050 -0.032 0.000 0.853 329 N CB -0.090 38.380 38.487 -0.028 0.000 1.008 329 N HN 0.411 nan 8.380 nan 0.000 0.424 330 K N 0.384 120.776 120.400 -0.013 0.000 2.062 330 K HA -0.058 4.262 4.320 0.000 0.000 0.205 330 K C 1.933 178.534 176.600 0.002 0.000 1.051 330 K CA 0.444 56.728 56.287 -0.004 0.000 0.941 330 K CB -0.198 32.301 32.500 -0.001 0.000 0.719 330 K HN 0.009 nan 8.250 nan 0.000 0.440 331 L N 1.354 122.578 121.223 0.002 0.000 2.083 331 L HA -0.128 4.212 4.340 0.000 0.000 0.209 331 L C 2.183 179.062 176.870 0.015 0.000 1.083 331 L CA 1.678 56.528 54.840 0.016 0.000 0.752 331 L CB -0.663 41.410 42.059 0.025 0.000 0.899 331 L HN 0.118 nan 8.230 nan 0.000 0.433 332 A N -1.165 121.656 122.820 0.001 0.000 1.933 332 A HA -0.247 4.073 4.320 0.000 0.000 0.218 332 A C 2.114 179.699 177.584 0.002 0.000 1.175 332 A CA 1.717 53.754 52.037 -0.001 0.000 0.628 332 A CB -0.544 18.445 19.000 -0.018 0.000 0.814 332 A HN 0.673 nan 8.150 nan 0.000 0.444 333 Q N -0.333 119.468 119.800 0.002 0.000 2.488 333 Q HA 0.013 4.353 4.340 0.000 0.000 0.211 333 Q C 0.421 176.428 176.000 0.011 0.000 0.967 333 Q CA 0.524 56.330 55.803 0.005 0.000 0.926 333 Q CB -0.008 28.732 28.738 0.003 0.000 0.992 333 Q HN 0.563 nan 8.270 nan 0.000 0.506 334 N N 0.156 118.863 118.700 0.013 0.000 2.238 334 N HA 0.203 4.943 4.740 0.000 0.000 0.222 334 N C -0.565 174.955 175.510 0.016 0.000 1.133 334 N CA 0.238 53.298 53.050 0.018 0.000 0.854 334 N CB 0.970 39.468 38.487 0.019 0.000 1.041 334 N HN 0.176 nan 8.380 nan 0.000 0.510 335 I N 0.164 120.739 120.570 0.008 0.000 2.389 335 I HA 0.105 4.275 4.170 0.000 0.000 0.288 335 I C 0.712 176.831 176.117 0.003 0.000 0.999 335 I CA -0.339 60.950 61.300 -0.018 0.000 1.129 335 I CB 2.235 40.219 38.000 -0.026 0.000 1.288 335 I HN -0.201 nan 8.210 nan 0.000 0.444 336 D N 3.778 124.205 120.400 0.045 0.000 2.388 336 D HA 0.019 4.659 4.640 0.000 0.000 0.208 336 D C 0.033 176.460 176.300 0.212 0.000 1.035 336 D CA 0.685 54.775 54.000 0.150 0.000 0.875 336 D CB 0.492 41.425 40.800 0.222 0.000 0.984 336 D HN 0.536 nan 8.370 nan 0.000 0.508 337 H N -1.381 117.690 119.070 0.003 0.000 2.894 337 H HA 0.492 5.048 4.556 0.000 0.000 0.367 337 H C -0.599 174.730 175.328 0.002 0.000 1.144 337 H CA -0.908 55.138 56.048 -0.002 0.000 1.180 337 H CB 0.298 30.061 29.762 0.002 0.000 1.758 337 H HN -0.190 nan 8.280 nan 0.000 0.541 338 R N 1.452 121.968 120.500 0.028 0.000 2.442 338 R HA 0.105 4.445 4.340 0.000 0.000 0.291 338 R C 0.225 176.554 176.300 0.048 0.000 1.069 338 R CA -0.802 55.294 56.100 -0.007 0.000 1.022 338 R CB 0.676 30.939 30.300 -0.061 0.000 0.976 338 R HN 0.445 nan 8.270 nan 0.000 0.443 339 L N 3.660 124.911 121.223 0.046 0.000 2.559 339 L HA -0.021 4.319 4.340 0.000 0.000 0.282 339 L C -0.633 176.279 176.870 0.069 0.000 1.232 339 L CA 0.647 55.516 54.840 0.049 0.000 0.885 339 L CB 0.776 42.857 42.059 0.037 0.000 1.131 339 L HN 0.286 nan 8.230 nan 0.000 0.498 340 V N 7.098 127.048 119.914 0.061 0.000 2.318 340 V HA 0.253 4.373 4.120 0.000 0.000 0.271 340 V C 0.497 176.605 176.094 0.024 0.000 1.030 340 V CA -0.700 61.627 62.300 0.046 0.000 0.844 340 V CB 0.900 32.752 31.823 0.048 0.000 1.015 340 V HN 0.650 nan 8.190 nan 0.000 0.460 341 L N 4.291 125.520 121.223 0.010 0.000 2.529 341 L HA 0.110 4.450 4.340 0.000 0.000 0.287 341 L C 1.149 178.014 176.870 -0.008 0.000 1.241 341 L CA 0.474 55.309 54.840 -0.007 0.000 0.857 341 L CB 0.673 42.717 42.059 -0.025 0.000 1.113 341 L HN 0.854 nan 8.230 nan 0.000 0.504 342 S N 1.829 117.521 115.700 -0.013 0.000 2.669 342 S HA 0.343 4.813 4.470 0.000 0.000 0.270 342 S C -1.918 172.671 174.600 -0.017 0.000 1.225 342 S CA -1.227 56.967 58.200 -0.011 0.000 0.991 342 S CB 1.315 64.508 63.200 -0.011 0.000 0.987 342 S HN 0.388 nan 8.310 nan 0.000 0.552 343 P HA -0.087 nan 4.420 nan 0.000 0.215 343 P C 1.372 178.656 177.300 -0.025 0.000 1.157 343 P CA 1.281 64.369 63.100 -0.019 0.000 0.868 343 P CB -0.030 31.662 31.700 -0.013 0.000 0.788 344 Q N -0.455 119.331 119.800 -0.022 0.000 2.050 344 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 344 Q C 2.285 178.264 176.000 -0.035 0.000 0.980 344 Q CA 2.039 57.827 55.803 -0.025 0.000 0.840 344 Q CB -1.512 27.216 28.738 -0.018 0.000 0.898 344 Q HN 0.155 nan 8.270 nan 0.000 0.424 345 A N 0.871 123.671 122.820 -0.034 0.000 1.865 345 A HA -0.166 4.154 4.320 0.000 0.000 0.217 345 A C 2.323 179.872 177.584 -0.057 0.000 1.191 345 A CA 2.009 54.020 52.037 -0.043 0.000 0.623 345 A CB -1.264 17.714 19.000 -0.037 0.000 0.826 345 A HN 0.398 nan 8.150 nan 0.000 0.444 346 A N -0.485 122.303 122.820 -0.053 0.000 1.917 346 A HA -0.245 4.075 4.320 0.000 0.000 0.219 346 A C 2.075 179.610 177.584 -0.082 0.000 1.182 346 A CA 2.011 54.010 52.037 -0.064 0.000 0.633 346 A CB -0.627 18.343 19.000 -0.049 0.000 0.819 346 A HN 0.713 nan 8.150 nan 0.000 0.448 347 E N -0.121 120.035 120.200 -0.072 0.000 2.038 347 E HA -0.198 4.152 4.350 0.000 0.000 0.195 347 E C 1.952 178.486 176.600 -0.110 0.000 1.000 347 E CA 1.478 57.827 56.400 -0.086 0.000 0.803 347 E CB -0.271 29.393 29.700 -0.059 0.000 0.750 347 E HN 0.661 nan 8.360 nan 0.000 0.448 348 I N 1.105 121.621 120.570 -0.089 0.000 2.151 348 I HA -0.336 3.834 4.170 0.000 0.000 0.243 348 I C 2.535 178.578 176.117 -0.124 0.000 1.080 348 I CA 1.107 62.351 61.300 -0.094 0.000 1.339 348 I CB -0.288 37.669 38.000 -0.071 0.000 1.039 348 I HN 0.246 nan 8.210 nan 0.000 0.409 349 L N 0.275 121.423 121.223 -0.126 0.000 2.141 349 L HA -0.218 4.122 4.340 0.000 0.000 0.209 349 L C 3.288 180.052 176.870 -0.178 0.000 1.094 349 L CA 1.394 56.148 54.840 -0.143 0.000 0.763 349 L CB -0.895 41.086 42.059 -0.131 0.000 0.908 349 L HN 0.256 nan 8.230 nan 0.000 0.437 350 R N 0.155 120.532 120.500 -0.205 0.000 2.096 350 R HA -0.181 4.159 4.340 0.000 0.000 0.235 350 R C 1.747 177.761 176.300 -0.476 0.000 1.127 350 R CA 1.913 57.818 56.100 -0.326 0.000 0.968 350 R CB -1.407 28.704 30.300 -0.314 0.000 0.861 350 R HN 0.406 nan 8.270 nan 0.000 0.440 351 D N -0.072 120.135 120.400 -0.320 0.000 2.097 351 D HA -0.174 4.466 4.640 0.000 0.000 0.195 351 D C 2.054 178.250 176.300 -0.173 0.000 0.989 351 D CA 1.563 55.421 54.000 -0.237 0.000 0.827 351 D CB -0.358 40.361 40.800 -0.135 0.000 0.966 351 D HN 0.514 nan 8.370 nan 0.000 0.456 352 R N 0.944 121.340 120.500 -0.173 0.000 2.127 352 R HA -0.173 4.167 4.340 0.000 0.000 0.238 352 R C 2.213 178.409 176.300 -0.173 0.000 1.134 352 R CA 1.370 57.364 56.100 -0.176 0.000 0.975 352 R CB -0.070 30.117 30.300 -0.190 0.000 0.865 352 R HN 0.188 nan 8.270 nan 0.000 0.447 353 Q N -0.618 119.088 119.800 -0.157 0.000 2.046 353 Q HA -0.185 4.155 4.340 0.000 0.000 0.200 353 Q C 1.640 177.664 176.000 0.040 0.000 0.975 353 Q CA 1.787 57.539 55.803 -0.084 0.000 0.836 353 Q CB -0.023 28.672 28.738 -0.072 0.000 0.896 353 Q HN 0.664 nan 8.270 nan 0.000 0.428 354 H N -0.676 118.345 119.070 -0.082 0.000 2.428 354 H HA -0.103 4.453 4.556 0.000 0.000 0.296 354 H C 2.172 177.457 175.328 -0.071 0.000 1.062 354 H CA 0.914 56.925 56.048 -0.062 0.000 1.350 354 H CB 0.226 29.959 29.762 -0.048 0.000 1.403 354 H HN 0.385 nan 8.280 nan 0.000 0.533 355 Q N 1.623 121.435 119.800 0.021 0.000 2.084 355 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 355 Q C 2.153 178.098 176.000 -0.091 0.000 0.978 355 Q CA 1.197 56.968 55.803 -0.052 0.000 0.844 355 Q CB 0.125 28.796 28.738 -0.112 0.000 0.898 355 Q HN 0.405 nan 8.270 nan 0.000 0.426 356 R N 0.120 120.520 120.500 -0.168 0.000 2.081 356 R HA -0.131 4.209 4.340 0.000 0.000 0.235 356 R C 2.228 178.524 176.300 -0.007 0.000 1.131 356 R CA 1.727 57.686 56.100 -0.236 0.000 0.960 356 R CB -0.098 29.933 30.300 -0.448 0.000 0.856 356 R HN 0.441 nan 8.270 nan 0.000 0.436 357 E N 0.633 120.838 120.200 0.008 0.000 2.085 357 E HA -0.200 4.150 4.350 0.000 0.000 0.194 357 E C 2.071 178.702 176.600 0.053 0.000 0.994 357 E CA 1.111 57.536 56.400 0.041 0.000 0.801 357 E CB -0.134 29.576 29.700 0.016 0.000 0.743 357 E HN 0.317 nan 8.360 nan 0.000 0.453 358 L N 0.612 121.859 121.223 0.039 0.000 2.005 358 L HA -0.176 4.164 4.340 0.000 0.000 0.207 358 L C 2.550 179.476 176.870 0.094 0.000 1.072 358 L CA 0.903 55.771 54.840 0.046 0.000 0.744 358 L CB -0.463 41.612 42.059 0.026 0.000 0.895 358 L HN 0.147 nan 8.230 nan 0.000 0.433 359 L N -0.288 121.001 121.223 0.110 0.000 2.187 359 L HA -0.235 4.105 4.340 0.000 0.000 0.213 359 L C 2.189 179.295 176.870 0.392 0.000 1.100 359 L CA 0.952 55.926 54.840 0.224 0.000 0.765 359 L CB -0.555 41.567 42.059 0.104 0.000 0.904 359 L HN 0.371 nan 8.230 nan 0.000 0.437 360 D N 0.056 120.630 120.400 0.290 0.000 2.106 360 D HA -0.124 4.516 4.640 0.000 0.000 0.203 360 D C 2.507 178.879 176.300 0.120 0.000 0.977 360 D CA 1.501 55.640 54.000 0.232 0.000 0.844 360 D CB -0.141 40.770 40.800 0.186 0.000 1.002 360 D HN 0.223 nan 8.370 nan 0.000 0.461 361 R N 1.233 121.785 120.500 0.087 0.000 2.154 361 R HA -0.105 4.235 4.340 0.000 0.000 0.248 361 R C 1.856 178.178 176.300 0.037 0.000 1.155 361 R CA 2.042 58.168 56.100 0.044 0.000 0.979 361 R CB -1.929 28.390 30.300 0.031 0.000 0.869 361 R HN 0.390 nan 8.270 nan 0.000 0.452 365 Q N 0.013 119.773 119.800 -0.065 0.000 2.437 365 Q HA -0.184 4.156 4.340 0.000 0.000 0.354 365 Q C -0.532 175.428 176.000 -0.067 0.000 1.402 365 Q CA 1.297 57.066 55.803 -0.058 0.000 1.020 365 Q CB -1.345 27.369 28.738 -0.041 0.000 1.220 365 Q HN 0.707 nan 8.270 nan 0.000 0.368 366 L N 0.837 122.006 121.223 -0.089 0.000 2.352 366 L HA 0.251 4.591 4.340 0.000 0.000 0.272 366 L C 0.745 177.582 176.870 -0.055 0.000 1.109 366 L CA -0.336 54.447 54.840 -0.095 0.000 0.952 366 L CB 0.399 42.354 42.059 -0.174 0.000 1.314 366 L HN 0.326 nan 8.230 nan 0.000 0.427 367 N N 1.886 120.568 118.700 -0.029 0.000 2.251 367 N HA 0.008 4.748 4.740 0.000 0.000 0.217 367 N C 0.393 175.917 175.510 0.024 0.000 1.124 367 N CA -0.115 52.929 53.050 -0.011 0.000 0.843 367 N CB 0.541 39.019 38.487 -0.017 0.000 1.024 367 N HN 0.662 nan 8.380 nan 0.000 0.501 368 Q N 0.188 120.005 119.800 0.029 0.000 2.492 368 Q HA 0.220 4.560 4.340 0.000 0.000 0.238 368 Q C -1.019 175.045 176.000 0.107 0.000 1.045 368 Q CA 0.056 55.892 55.803 0.055 0.000 0.934 368 Q CB 0.816 29.574 28.738 0.033 0.000 1.276 368 Q HN 0.078 nan 8.270 nan 0.000 0.521 369 F N 0.116 120.034 119.950 -0.054 0.000 2.573 369 F HA 0.581 5.108 4.527 0.000 0.000 0.316 369 F C -0.813 174.950 175.800 -0.063 0.000 1.148 369 F CA -0.625 57.333 58.000 -0.071 0.000 0.940 369 F CB 1.564 40.526 39.000 -0.062 0.000 1.214 369 F HN 0.922 nan 8.300 nan 0.000 0.448 370 A N 5.361 127.724 122.820 -0.761 0.000 2.536 370 A HA 0.338 4.658 4.320 0.000 0.000 0.234 370 A C -0.298 176.999 177.584 -0.479 0.000 1.076 370 A CA -0.209 51.209 52.037 -1.031 0.000 0.769 370 A CB 0.049 18.606 19.000 -0.738 0.000 1.020 370 A HN 0.841 nan 8.150 nan 0.000 0.508 371 L N 1.971 122.947 121.223 -0.411 0.000 2.456 371 L HA 0.074 4.414 4.340 0.000 0.000 0.272 371 L C 1.160 177.840 176.870 -0.317 0.000 1.189 371 L CA -0.016 54.665 54.840 -0.265 0.000 0.846 371 L CB 0.191 42.082 42.059 -0.279 0.000 1.111 371 L HN 0.777 nan 8.230 nan 0.000 0.475 372 H N 4.787 123.677 119.070 -0.300 0.000 2.683 372 H HA 0.122 4.678 4.556 0.000 0.000 0.339 372 H C -1.894 173.149 175.328 -0.475 0.000 1.081 372 H CA -1.914 53.943 56.048 -0.318 0.000 1.432 372 H CB 1.722 31.358 29.762 -0.209 0.000 1.462 372 H HN 0.348 nan 8.280 nan 0.000 0.557 373 P HA -0.209 nan 4.420 nan 0.000 0.218 373 P C 1.822 178.877 177.300 -0.408 0.000 1.154 373 P CA 1.363 63.991 63.100 -0.787 0.000 0.872 373 P CB 0.235 30.901 31.700 -1.724 0.000 0.790 374 L N -1.633 119.518 121.223 -0.121 0.000 2.083 374 L HA -0.189 4.151 4.340 0.000 0.000 0.209 374 L C 2.694 179.459 176.870 -0.175 0.000 1.083 374 L CA 1.332 56.102 54.840 -0.115 0.000 0.752 374 L CB -0.612 41.380 42.059 -0.112 0.000 0.899 374 L HN -0.106 nan 8.230 nan 0.000 0.433 375 R N 1.088 121.488 120.500 -0.166 0.000 2.081 375 R HA -0.139 4.201 4.340 0.000 0.000 0.235 375 R C 2.034 178.207 176.300 -0.211 0.000 1.131 375 R CA 1.692 57.684 56.100 -0.179 0.000 0.960 375 R CB -0.617 29.590 30.300 -0.155 0.000 0.856 375 R HN 0.303 nan 8.270 nan 0.000 0.436 376 I N -0.361 120.024 120.570 -0.309 0.000 2.252 376 I HA -0.234 3.936 4.170 0.000 0.000 0.245 376 I C 2.075 178.135 176.117 -0.094 0.000 1.102 376 I CA 0.985 62.073 61.300 -0.354 0.000 1.385 376 I CB -0.316 37.149 38.000 -0.891 0.000 1.064 376 I HN -0.016 nan 8.210 nan 0.000 0.414 377 V N 0.889 120.804 119.914 0.003 0.000 2.261 377 V HA -0.283 3.837 4.120 0.000 0.000 0.246 377 V C 2.657 178.685 176.094 -0.109 0.000 1.047 377 V CA 1.866 64.234 62.300 0.112 0.000 1.015 377 V CB -0.680 31.182 31.823 0.065 0.000 0.642 377 V HN 0.315 nan 8.190 nan 0.000 0.446 378 R N 0.562 120.942 120.500 -0.200 0.000 2.103 378 R HA -0.142 4.198 4.340 0.000 0.000 0.242 378 R C 2.302 178.503 176.300 -0.166 0.000 1.142 378 R CA 1.773 57.740 56.100 -0.222 0.000 0.960 378 R CB -1.227 28.959 30.300 -0.191 0.000 0.858 378 R HN 0.561 nan 8.270 nan 0.000 0.439 379 A N -0.003 122.743 122.820 -0.124 0.000 1.930 379 A HA -0.139 4.181 4.320 0.000 0.000 0.217 379 A C 2.148 179.703 177.584 -0.049 0.000 1.175 379 A CA 1.578 53.559 52.037 -0.094 0.000 0.627 379 A CB -0.420 18.518 19.000 -0.104 0.000 0.815 379 A HN 0.234 nan 8.150 nan 0.000 0.443 380 M N -0.830 118.778 119.600 0.012 0.000 2.117 380 M HA -0.234 4.246 4.480 0.000 0.000 0.262 380 M C 2.377 178.757 176.300 0.134 0.000 1.065 380 M CA 1.707 57.096 55.300 0.148 0.000 1.114 380 M CB -0.478 32.348 32.600 0.376 0.000 1.361 380 M HN 0.494 nan 8.290 nan 0.000 0.408 381 Q N 0.137 119.848 119.800 -0.148 0.000 2.170 381 Q HA -0.174 4.166 4.340 0.000 0.000 0.203 381 Q C 1.444 177.370 176.000 -0.123 0.000 0.976 381 Q CA 1.042 56.630 55.803 -0.358 0.000 0.858 381 Q CB -0.151 28.164 28.738 -0.705 0.000 0.907 381 Q HN 0.505 nan 8.270 nan 0.000 0.433 382 D N 0.830 121.174 120.400 -0.094 0.000 2.117 382 D HA -0.117 4.523 4.640 0.000 0.000 0.198 382 D C 1.952 178.241 176.300 -0.018 0.000 0.982 382 D CA 1.040 55.005 54.000 -0.058 0.000 0.828 382 D CB -0.083 40.679 40.800 -0.064 0.000 0.967 382 D HN 0.436 nan 8.370 nan 0.000 0.464 383 I N -1.458 119.113 120.570 0.000 0.000 3.059 383 I HA 0.006 4.176 4.170 0.000 0.000 0.270 383 I C 0.457 176.602 176.117 0.047 0.000 1.238 383 I CA 0.179 61.487 61.300 0.013 0.000 1.478 383 I CB 0.092 38.091 38.000 -0.000 0.000 1.097 383 I HN -0.335 nan 8.210 nan 0.000 0.455 384 V N 4.523 124.492 119.914 0.092 0.000 2.389 384 V HA 0.193 4.313 4.120 0.000 0.000 0.264 384 V C -0.350 175.805 176.094 0.101 0.000 1.049 384 V CA -0.308 62.070 62.300 0.129 0.000 0.932 384 V CB 0.112 32.088 31.823 0.256 0.000 1.011 384 V HN 0.653 nan 8.190 nan 0.000 0.475 385 N N 2.614 121.358 118.700 0.075 0.000 2.531 385 N HA 0.304 5.044 4.740 0.000 0.000 0.290 385 N C 1.060 176.604 175.510 0.058 0.000 1.257 385 N CA -0.240 52.844 53.050 0.057 0.000 0.863 385 N CB 1.006 39.517 38.487 0.040 0.000 1.320 385 N HN 0.346 nan 8.380 nan 0.000 0.538 386 S N -2.076 113.651 115.700 0.045 0.000 2.528 386 S HA -0.201 4.269 4.470 0.000 0.000 0.244 386 S C 0.700 175.321 174.600 0.036 0.000 0.982 386 S CA 1.390 59.613 58.200 0.038 0.000 0.953 386 S CB -0.510 62.707 63.200 0.028 0.000 0.754 386 S HN 0.724 nan 8.310 nan 0.000 0.529 387 D N 0.147 120.571 120.400 0.041 0.000 2.379 387 D HA 0.197 4.837 4.640 0.000 0.000 0.208 387 D C -0.157 176.175 176.300 0.054 0.000 1.065 387 D CA -0.025 54.000 54.000 0.042 0.000 0.848 387 D CB 0.554 41.379 40.800 0.042 0.000 0.949 387 D HN 0.257 nan 8.370 nan 0.000 0.509 388 V N 0.734 120.683 119.914 0.059 0.000 2.539 388 V HA 0.364 4.484 4.120 0.000 0.000 0.292 388 V C 0.492 176.624 176.094 0.063 0.000 1.045 388 V CA -0.550 61.792 62.300 0.070 0.000 0.945 388 V CB 1.775 33.642 31.823 0.073 0.000 0.993 388 V HN -0.000 nan 8.190 nan 0.000 0.464 389 T N 5.643 120.240 114.554 0.071 0.000 2.799 389 T HA 0.539 4.889 4.350 0.000 0.000 0.286 389 T C -0.580 174.151 174.700 0.052 0.000 0.973 389 T CA -0.151 61.981 62.100 0.053 0.000 1.035 389 T CB 1.055 69.962 68.868 0.064 0.000 0.932 389 T HN 0.417 nan 8.240 nan 0.000 0.469 390 L N 4.601 125.834 121.223 0.018 0.000 2.305 390 L HA 0.624 4.964 4.340 0.000 0.000 0.284 390 L C 0.190 177.065 176.870 0.008 0.000 1.013 390 L CA -0.233 54.606 54.840 -0.002 0.000 0.819 390 L CB 1.335 43.349 42.059 -0.076 0.000 1.227 390 L HN 0.745 nan 8.230 nan 0.000 0.417 391 T N 2.358 116.953 114.554 0.069 0.000 2.824 391 T HA 0.790 5.140 4.350 0.000 0.000 0.280 391 T C -0.579 174.215 174.700 0.156 0.000 0.995 391 T CA -0.699 61.505 62.100 0.173 0.000 1.009 391 T CB 1.487 70.542 68.868 0.311 0.000 0.955 391 T HN 0.370 nan 8.240 nan 0.000 0.452 392 V N 3.415 123.467 119.914 0.229 0.000 2.531 392 V HA 0.400 4.520 4.120 0.000 0.000 0.301 392 V C 0.262 176.541 176.094 0.309 0.000 1.034 392 V CA -0.943 61.470 62.300 0.188 0.000 0.865 392 V CB 1.553 33.391 31.823 0.024 0.000 0.995 392 V HN 1.022 nan 8.190 nan 0.000 0.424 393 D N 2.329 122.920 120.400 0.318 0.000 2.376 393 D HA 0.323 4.963 4.640 0.000 0.000 0.268 393 D C -0.403 176.134 176.300 0.396 0.000 1.252 393 D CA -0.410 53.754 54.000 0.274 0.000 1.041 393 D CB 1.258 42.208 40.800 0.250 0.000 1.109 393 D HN 0.422 nan 8.370 nan 0.000 0.552 394 M N -0.173 119.550 119.600 0.205 0.000 2.294 394 M HA 0.497 4.977 4.480 0.000 0.000 0.335 394 M C -0.411 175.766 176.300 -0.204 0.000 1.079 394 M CA -0.030 55.208 55.300 -0.103 0.000 0.982 394 M CB 1.058 33.553 32.600 -0.174 0.000 1.651 394 M HN 0.417 nan 8.290 nan 0.000 0.437 395 G N 1.758 110.161 108.800 -0.661 0.000 2.327 395 G HA2 0.211 4.171 3.960 0.000 0.000 0.291 395 G HA3 0.211 4.171 3.960 0.000 0.000 0.291 395 G C -0.347 174.114 174.900 -0.732 0.000 1.290 395 G CA -0.207 44.556 45.100 -0.561 0.000 0.857 395 G HN 0.530 nan 8.290 nan 0.000 0.520 396 S N -0.379 115.085 115.700 -0.394 0.000 2.382 396 S HA -0.067 4.403 4.470 0.000 0.000 0.228 396 S C 2.178 176.699 174.600 -0.131 0.000 1.027 396 S CA 2.506 60.540 58.200 -0.277 0.000 0.991 396 S CB -0.575 62.377 63.200 -0.413 0.000 0.823 396 S HN 0.775 nan 8.310 nan 0.000 0.469 397 F N 1.602 121.564 119.950 0.021 0.000 2.202 397 F HA -0.120 4.407 4.527 0.000 0.000 0.301 397 F C 1.992 177.642 175.800 -0.250 0.000 1.082 397 F CA 1.612 59.323 58.000 -0.483 0.000 1.313 397 F CB -1.293 36.857 39.000 -1.417 0.000 1.024 397 F HN 0.299 nan 8.300 nan 0.000 0.495 398 H N 0.480 118.912 119.070 -1.065 0.000 2.353 398 H HA -0.126 4.430 4.556 0.000 0.000 0.300 398 H C 2.024 177.216 175.328 -0.227 0.000 1.090 398 H CA 2.222 57.923 56.048 -0.579 0.000 1.327 398 H CB 0.026 29.358 29.762 -0.718 0.000 1.383 398 H HN 0.205 nan 8.280 nan 0.000 0.508 399 I N -0.409 120.156 120.570 -0.008 0.000 2.252 399 I HA -0.257 3.913 4.170 0.000 0.000 0.245 399 I C 1.896 178.123 176.117 0.184 0.000 1.102 399 I CA 0.914 62.240 61.300 0.043 0.000 1.385 399 I CB -1.651 36.270 38.000 -0.132 0.000 1.064 399 I HN 0.459 nan 8.210 nan 0.000 0.414 400 W N 1.415 122.822 121.300 0.178 0.000 2.335 400 W HA -0.159 4.501 4.660 0.000 0.000 0.311 400 W C 2.662 179.408 176.519 0.378 0.000 1.213 400 W CA 0.893 58.431 57.345 0.321 0.000 1.274 400 W CB -0.598 29.092 29.460 0.383 0.000 1.148 400 W HN 0.008 nan 8.180 nan 0.000 0.498 401 I N -0.110 120.736 120.570 0.459 0.000 2.226 401 I HA -0.303 3.867 4.170 0.000 0.000 0.245 401 I C 2.570 178.880 176.117 0.323 0.000 1.100 401 I CA 1.340 62.866 61.300 0.377 0.000 1.374 401 I CB -0.977 37.067 38.000 0.073 0.000 1.057 401 I HN -0.028 nan 8.210 nan 0.000 0.413 402 A N 0.835 123.789 122.820 0.222 0.000 1.902 402 A HA -0.270 4.050 4.320 0.000 0.000 0.217 402 A C 2.309 180.148 177.584 0.426 0.000 1.181 402 A CA 1.909 54.136 52.037 0.317 0.000 0.623 402 A CB -0.570 18.589 19.000 0.265 0.000 0.818 402 A HN 0.296 nan 8.150 nan 0.000 0.443 403 R N -1.226 119.476 120.500 0.335 0.000 2.139 403 R HA -0.158 4.182 4.340 0.000 0.000 0.243 403 R C 0.443 176.576 176.300 -0.278 0.000 1.145 403 R CA 1.690 57.642 56.100 -0.247 0.000 0.976 403 R CB -0.646 29.442 30.300 -0.353 0.000 0.866 403 R HN 0.605 nan 8.270 nan 0.000 0.449 404 Y N -0.676 119.709 120.300 0.142 0.000 2.681 404 Y HA 0.279 4.829 4.550 0.000 0.000 0.267 404 Y C 1.117 176.991 175.900 -0.043 0.000 1.166 404 Y CA -0.429 57.613 58.100 -0.096 0.000 1.209 404 Y CB 0.229 38.634 38.460 -0.093 0.000 1.161 404 Y HN -0.061 nan 8.280 nan 0.000 0.534 405 L N -0.288 121.107 121.223 0.287 0.000 2.129 405 L HA -0.299 4.041 4.340 0.000 0.000 0.212 405 L C 2.335 179.357 176.870 0.254 0.000 1.087 405 L CA 1.742 56.779 54.840 0.328 0.000 0.757 405 L CB -0.487 41.738 42.059 0.277 0.000 0.896 405 L HN 0.552 nan 8.230 nan 0.000 0.434 406 Y N -0.903 119.544 120.300 0.244 0.000 2.403 406 Y HA -0.152 4.398 4.550 0.000 0.000 0.291 406 Y C 2.229 178.226 175.900 0.161 0.000 1.143 406 Y CA 1.168 59.384 58.100 0.194 0.000 1.257 406 Y CB -1.433 37.122 38.460 0.157 0.000 0.984 406 Y HN 0.138 nan 8.280 nan 0.000 0.550 407 T N -3.550 110.810 114.554 -0.323 0.000 3.069 407 T HA 0.237 4.587 4.350 0.000 0.000 0.252 407 T C -0.172 174.433 174.700 -0.158 0.000 1.053 407 T CA -0.439 61.535 62.100 -0.210 0.000 0.964 407 T CB -0.685 67.961 68.868 -0.371 0.000 1.005 407 T HN 0.136 nan 8.240 nan 0.000 0.532 408 F N 2.495 122.422 119.950 -0.038 0.000 2.404 408 F HA 0.499 5.026 4.527 -0.000 0.000 0.345 408 F C 0.982 176.788 175.800 0.010 0.000 1.110 408 F CA -1.006 56.993 58.000 -0.001 0.000 1.130 408 F CB 1.017 40.028 39.000 0.019 0.000 1.129 408 F HN -0.231 nan 8.300 nan 0.000 0.500 409 R N 3.507 124.124 120.500 0.196 0.000 2.564 409 R HA 0.565 4.905 4.340 0.000 0.000 0.282 409 R C -0.771 175.596 176.300 0.111 0.000 1.573 409 R CA -0.498 55.672 56.100 0.117 0.000 1.588 409 R CB 1.058 31.397 30.300 0.065 0.000 1.154 409 R HN 0.612 nan 8.270 nan 0.000 0.606 410 A N 0.851 123.738 122.820 0.112 0.000 2.299 410 A HA 0.363 4.683 4.320 0.000 0.000 0.332 410 A C 1.053 178.663 177.584 0.042 0.000 1.131 410 A CA -0.697 51.388 52.037 0.080 0.000 0.844 410 A CB 1.172 20.215 19.000 0.072 0.000 1.251 410 A HN 0.620 nan 8.150 nan 0.000 0.486 411 R N -0.185 120.337 120.500 0.035 0.000 2.105 411 R HA -0.094 4.246 4.340 0.000 0.000 0.239 411 R C 0.645 176.948 176.300 0.004 0.000 1.135 411 R CA 2.499 58.611 56.100 0.019 0.000 0.967 411 R CB -0.115 30.200 30.300 0.024 0.000 0.861 411 R HN 0.787 nan 8.270 nan 0.000 0.442 412 Q N -1.675 118.127 119.800 0.003 0.000 2.666 412 Q HA 0.369 4.709 4.340 0.000 0.000 0.276 412 Q C -2.014 173.969 176.000 -0.028 0.000 0.952 412 Q CA -0.839 54.953 55.803 -0.019 0.000 0.850 412 Q CB 1.834 30.555 28.738 -0.028 0.000 1.512 412 Q HN -0.001 nan 8.270 nan 0.000 0.395 413 V N 3.111 122.995 119.914 -0.050 0.000 2.588 413 V HA 0.538 4.658 4.120 0.000 0.000 0.304 413 V C -0.538 175.499 176.094 -0.095 0.000 1.042 413 V CA -0.539 61.720 62.300 -0.068 0.000 0.877 413 V CB 1.871 33.649 31.823 -0.076 0.000 0.996 413 V HN 0.808 nan 8.190 nan 0.000 0.425 414 M N 5.410 124.943 119.600 -0.112 0.000 2.044 414 M HA 0.519 4.999 4.480 0.000 0.000 0.333 414 M C 0.271 176.525 176.300 -0.076 0.000 1.004 414 M CA 0.029 55.185 55.300 -0.240 0.000 0.954 414 M CB 1.518 33.849 32.600 -0.448 0.000 1.468 414 M HN 0.766 nan 8.290 nan 0.000 0.414 415 I N 0.021 120.576 120.570 -0.025 0.000 4.866 415 I HA 0.150 4.320 4.170 0.000 0.000 0.325 415 I C 0.721 176.976 176.117 0.231 0.000 1.240 415 I CA 0.290 61.658 61.300 0.115 0.000 1.355 415 I CB 0.921 38.904 38.000 -0.029 0.000 1.395 415 I HN 0.545 nan 8.210 nan 0.000 0.479 416 S N 2.473 118.262 115.700 0.148 0.000 2.575 416 S HA -0.032 4.438 4.470 0.000 0.000 0.295 416 S C 0.079 174.809 174.600 0.216 0.000 1.267 416 S CA 0.496 58.800 58.200 0.173 0.000 1.074 416 S CB -0.320 62.953 63.200 0.123 0.000 0.829 416 S HN 0.501 nan 8.310 nan 0.000 0.497 417 N N 3.386 122.190 118.700 0.173 0.000 2.751 417 N HA 0.232 4.972 4.740 0.000 0.000 0.234 417 N C 0.825 176.363 175.510 0.048 0.000 1.403 417 N CA 0.195 53.342 53.050 0.163 0.000 0.747 417 N CB 0.244 38.829 38.487 0.163 0.000 1.326 417 N HN 0.624 nan 8.380 nan 0.000 0.532 418 G N 0.748 109.587 108.800 0.065 0.000 2.469 418 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 418 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 418 G C 1.031 175.934 174.900 0.006 0.000 1.150 418 G CA 0.816 45.935 45.100 0.032 0.000 0.763 418 G HN 0.450 nan 8.290 nan 0.000 0.561 419 Q N -0.386 119.429 119.800 0.024 0.000 2.369 419 Q HA 0.002 4.342 4.340 0.000 0.000 0.206 419 Q C 1.025 177.004 176.000 -0.036 0.000 0.963 419 Q CA 0.588 56.394 55.803 0.004 0.000 0.894 419 Q CB -0.009 28.749 28.738 0.034 0.000 0.965 419 Q HN 0.697 nan 8.270 nan 0.000 0.475 420 Q N 0.179 119.944 119.800 -0.058 0.000 2.487 420 Q HA -0.122 4.218 4.340 0.000 0.000 0.279 420 Q C -0.828 175.107 176.000 -0.108 0.000 1.228 420 Q CA 0.525 56.255 55.803 -0.121 0.000 0.873 420 Q CB -2.148 26.501 28.738 -0.148 0.000 1.260 420 Q HN 0.260 nan 8.270 nan 0.000 0.471 421 T N 1.585 116.091 114.554 -0.081 0.000 2.834 421 T HA 0.330 4.680 4.350 0.000 0.000 0.298 421 T C 0.677 175.281 174.700 -0.159 0.000 0.966 421 T CA -0.107 61.939 62.100 -0.090 0.000 1.141 421 T CB 0.379 69.222 68.868 -0.043 0.000 0.905 421 T HN 0.288 nan 8.240 nan 0.000 0.535 422 M N 1.356 120.884 119.600 -0.121 0.000 2.288 422 M HA 0.616 5.096 4.480 0.000 0.000 0.334 422 M C 1.009 177.206 176.300 -0.173 0.000 1.150 422 M CA -0.093 55.146 55.300 -0.102 0.000 1.118 422 M CB 0.687 33.276 32.600 -0.017 0.000 1.501 422 M HN 0.764 nan 8.290 nan 0.000 0.462 423 G N 1.305 109.992 108.800 -0.189 0.000 2.157 423 G HA2 -0.245 3.715 3.960 0.000 0.000 0.239 423 G HA3 -0.245 3.715 3.960 0.000 0.000 0.239 423 G C 0.345 174.902 174.900 -0.571 0.000 0.982 423 G CA 0.529 45.472 45.100 -0.261 0.000 0.650 423 G HN 1.256 nan 8.290 nan 0.000 0.527 424 V N -1.906 117.485 119.914 -0.872 0.000 2.591 424 V HA 0.401 4.521 4.120 0.000 0.000 0.249 424 V C 2.901 178.328 176.094 -1.112 0.000 1.053 424 V CA 1.843 63.197 62.300 -1.576 0.000 1.068 424 V CB -1.102 29.384 31.823 -2.229 0.000 0.689 424 V HN 1.393 nan 8.190 nan 0.000 0.462 425 A N 1.343 123.867 122.820 -0.493 0.000 1.859 425 A HA -0.242 4.078 4.320 0.000 0.000 0.218 425 A C 2.225 179.853 177.584 0.073 0.000 1.209 425 A CA 2.619 54.633 52.037 -0.037 0.000 0.639 425 A CB -0.979 18.085 19.000 0.107 0.000 0.835 425 A HN 0.611 nan 8.150 nan 0.000 0.450 426 L N 0.869 122.116 121.223 0.040 0.000 1.989 426 L HA -0.087 4.253 4.340 0.000 0.000 0.211 426 L C -0.501 176.391 176.870 0.038 0.000 1.071 426 L CA 2.835 57.698 54.840 0.038 0.000 0.749 426 L CB -1.236 40.724 42.059 -0.166 0.000 0.890 426 L HN 0.259 nan 8.230 nan 0.000 0.431 427 P HA -0.190 nan 4.420 nan 0.000 0.217 427 P C 1.390 178.794 177.300 0.173 0.000 1.150 427 P CA 1.553 64.687 63.100 0.056 0.000 0.832 427 P CB -0.421 31.333 31.700 0.090 0.000 0.787 428 W N 0.900 122.204 121.300 0.007 0.000 2.338 428 W HA -0.023 4.637 4.660 0.000 0.000 0.304 428 W C 2.779 179.330 176.519 0.054 0.000 1.212 428 W CA 1.148 58.504 57.345 0.019 0.000 1.264 428 W CB -1.816 27.641 29.460 -0.005 0.000 1.142 428 W HN 0.005 nan 8.180 nan 0.000 0.512 429 A N 0.099 123.107 122.820 0.314 0.000 1.877 429 A HA -0.181 4.139 4.320 0.000 0.000 0.216 429 A C 2.057 179.796 177.584 0.258 0.000 1.186 429 A CA 1.942 54.125 52.037 0.244 0.000 0.620 429 A CB -1.014 18.110 19.000 0.206 0.000 0.822 429 A HN 0.223 nan 8.150 nan 0.000 0.443 430 I N -0.370 120.336 120.570 0.226 0.000 2.286 430 I HA -0.198 3.972 4.170 0.000 0.000 0.248 430 I C 2.664 178.975 176.117 0.323 0.000 1.115 430 I CA 1.069 62.533 61.300 0.274 0.000 1.392 430 I CB -0.608 37.510 38.000 0.197 0.000 1.065 430 I HN 0.411 nan 8.210 nan 0.000 0.418 431 G N 0.516 109.442 108.800 0.210 0.000 2.404 431 G HA2 -0.211 3.749 3.960 0.000 0.000 0.215 431 G HA3 -0.211 3.749 3.960 0.000 0.000 0.215 431 G C 1.875 176.894 174.900 0.199 0.000 1.174 431 G CA 0.780 45.976 45.100 0.160 0.000 0.780 431 G HN 0.479 nan 8.290 nan 0.000 0.537 432 A N -0.093 122.841 122.820 0.190 0.000 1.933 432 A HA -0.055 4.265 4.320 0.000 0.000 0.218 432 A C 2.147 179.838 177.584 0.179 0.000 1.175 432 A CA 1.615 53.741 52.037 0.148 0.000 0.628 432 A CB -0.721 18.357 19.000 0.129 0.000 0.814 432 A HN 0.566 nan 8.150 nan 0.000 0.444 433 W N 0.645 122.003 121.300 0.096 0.000 2.358 433 W HA -0.129 4.531 4.660 0.000 0.000 0.303 433 W C 1.645 178.224 176.519 0.099 0.000 1.208 433 W CA 1.731 59.130 57.345 0.091 0.000 1.274 433 W CB -0.373 29.144 29.460 0.095 0.000 1.138 433 W HN 0.243 nan 8.180 nan 0.000 0.515 434 L N -0.050 121.190 121.223 0.030 0.000 2.191 434 L HA -0.240 4.100 4.340 0.000 0.000 0.212 434 L C 2.160 178.923 176.870 -0.179 0.000 1.103 434 L CA 1.020 55.766 54.840 -0.157 0.000 0.769 434 L CB -0.925 41.240 42.059 0.176 0.000 0.908 434 L HN -0.125 nan 8.230 nan 0.000 0.438 435 V N -0.713 119.157 119.914 -0.073 0.000 2.548 435 V HA -0.166 3.954 4.120 0.000 0.000 0.249 435 V C 0.172 176.192 176.094 -0.124 0.000 1.055 435 V CA 1.347 63.612 62.300 -0.058 0.000 1.065 435 V CB -0.496 31.327 31.823 -0.000 0.000 0.681 435 V HN 0.514 nan 8.190 nan 0.000 0.462 436 N N -0.367 118.220 118.700 -0.189 0.000 2.726 436 N HA 0.227 4.967 4.740 0.000 0.000 0.253 436 N C -2.222 173.071 175.510 -0.362 0.000 1.530 436 N CA -0.847 52.089 53.050 -0.191 0.000 0.772 436 N CB 1.491 39.932 38.487 -0.077 0.000 1.220 436 N HN 0.131 nan 8.380 nan 0.000 0.508 437 P HA -0.188 nan 4.420 nan 0.000 0.226 437 P C 0.571 177.749 177.300 -0.203 0.000 1.146 437 P CA 1.249 63.730 63.100 -1.032 0.000 0.773 437 P CB 0.465 31.591 31.700 -0.956 0.000 0.772 438 E N 0.026 120.178 120.200 -0.080 0.000 2.385 438 E HA -0.006 4.344 4.350 0.000 0.000 0.194 438 E C 0.838 177.511 176.600 0.122 0.000 1.013 438 E CA 0.263 56.699 56.400 0.060 0.000 0.866 438 E CB -0.259 29.453 29.700 0.020 0.000 0.832 438 E HN 0.287 nan 8.360 nan 0.000 0.500 439 R N 0.475 121.047 120.500 0.120 0.000 2.608 439 R HA 0.460 4.800 4.340 0.000 0.000 0.255 439 R C -0.197 176.268 176.300 0.275 0.000 1.086 439 R CA -0.783 55.410 56.100 0.154 0.000 1.125 439 R CB 0.798 31.158 30.300 0.100 0.000 1.193 439 R HN -0.151 nan 8.270 nan 0.000 0.553 440 K N 0.276 120.796 120.400 0.200 0.000 2.123 440 K HA 0.402 4.722 4.320 0.000 0.000 0.259 440 K C -1.326 175.381 176.600 0.178 0.000 0.960 440 K CA -0.480 55.918 56.287 0.186 0.000 0.872 440 K CB 1.583 34.148 32.500 0.108 0.000 1.079 440 K HN 0.278 nan 8.250 nan 0.000 0.440 441 V N 3.496 123.509 119.914 0.164 0.000 2.735 441 V HA 0.529 4.649 4.120 0.000 0.000 0.310 441 V C -1.071 175.079 176.094 0.093 0.000 1.061 441 V CA -0.974 61.414 62.300 0.146 0.000 0.913 441 V CB 2.040 33.986 31.823 0.205 0.000 1.005 441 V HN 0.535 nan 8.190 nan 0.000 0.428 442 V N 3.314 123.276 119.914 0.080 0.000 2.483 442 V HA 0.637 4.757 4.120 0.000 0.000 0.297 442 V C -0.087 176.034 176.094 0.044 0.000 1.027 442 V CA -0.375 61.955 62.300 0.051 0.000 0.855 442 V CB 2.005 33.852 31.823 0.039 0.000 0.995 442 V HN 1.012 nan 8.190 nan 0.000 0.424 443 S N 3.994 119.713 115.700 0.032 0.000 2.503 443 S HA 0.874 5.344 4.470 0.000 0.000 0.301 443 S C -0.886 173.564 174.600 -0.249 0.000 1.087 443 S CA -0.800 57.411 58.200 0.017 0.000 1.042 443 S CB 2.134 65.459 63.200 0.208 0.000 1.043 443 S HN 0.816 nan 8.310 nan 0.000 0.489 444 V N 1.900 121.660 119.914 -0.256 0.000 2.789 444 V HA 0.925 5.045 4.120 0.000 0.000 0.311 444 V C -0.623 175.167 176.094 -0.506 0.000 1.073 444 V CA 0.312 62.345 62.300 -0.445 0.000 0.921 444 V CB 1.810 33.488 31.823 -0.241 0.000 1.009 444 V HN 1.570 nan 8.190 nan 0.000 0.426 445 S N 3.965 119.223 115.700 -0.736 0.000 2.727 445 S HA 0.874 5.344 4.470 0.000 0.000 0.278 445 S C -0.111 173.931 174.600 -0.929 0.000 1.186 445 S CA -0.225 57.490 58.200 -0.807 0.000 0.836 445 S CB 1.158 64.338 63.200 -0.033 0.000 1.186 445 S HN 1.553 nan 8.310 nan 0.000 0.499 446 G N -0.250 108.286 108.800 -0.441 0.000 2.557 446 G HA2 0.477 4.437 3.960 0.000 0.000 0.302 446 G HA3 0.477 4.437 3.960 0.000 0.000 0.302 446 G C -0.055 174.903 174.900 0.098 0.000 1.311 446 G CA -0.195 44.906 45.100 0.002 0.000 1.030 446 G HN 0.778 nan 8.290 nan 0.000 0.509 447 D N -1.046 119.462 120.400 0.180 0.000 2.269 447 D HA -0.000 4.640 4.640 0.000 0.000 0.208 447 D C 2.075 178.541 176.300 0.276 0.000 0.963 447 D CA 1.036 55.149 54.000 0.189 0.000 0.864 447 D CB -0.510 40.494 40.800 0.339 0.000 0.936 447 D HN 0.448 nan 8.370 nan 0.000 0.505 448 G N 0.662 109.696 108.800 0.391 0.000 2.394 448 G HA2 -0.068 3.892 3.960 0.000 0.000 0.214 448 G HA3 -0.068 3.892 3.960 0.000 0.000 0.214 448 G C 1.701 176.789 174.900 0.313 0.000 1.176 448 G CA 0.600 45.969 45.100 0.448 0.000 0.786 448 G HN 0.427 nan 8.290 nan 0.000 0.533 449 G N 0.335 109.305 108.800 0.282 0.000 2.422 449 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 449 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 449 G C 1.602 176.568 174.900 0.110 0.000 1.146 449 G CA 0.870 46.066 45.100 0.161 0.000 0.769 449 G HN 0.309 nan 8.290 nan 0.000 0.547 450 F N 1.311 121.259 119.950 -0.004 0.000 2.065 450 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 450 F C 2.368 178.120 175.800 -0.081 0.000 1.112 450 F CA 1.285 59.238 58.000 -0.079 0.000 1.212 450 F CB -0.267 38.659 39.000 -0.123 0.000 0.975 450 F HN 0.019 nan 8.300 nan 0.000 0.476 451 L N -0.054 121.129 121.223 -0.067 0.000 2.456 451 L HA -0.168 4.172 4.340 0.000 0.000 0.224 451 L C 2.152 178.933 176.870 -0.148 0.000 1.148 451 L CA 0.805 55.546 54.840 -0.165 0.000 0.825 451 L CB -0.638 41.386 42.059 -0.058 0.000 0.937 451 L HN 0.341 nan 8.230 nan 0.000 0.450 452 Q N -0.648 119.081 119.800 -0.118 0.000 2.311 452 Q HA -0.061 4.279 4.340 0.000 0.000 0.203 452 Q C 1.604 177.504 176.000 -0.167 0.000 0.954 452 Q CA 1.466 57.200 55.803 -0.115 0.000 0.885 452 Q CB 0.337 29.034 28.738 -0.068 0.000 0.963 452 Q HN 0.552 nan 8.270 nan 0.000 0.471 453 S N -1.806 113.763 115.700 -0.219 0.000 2.960 453 S HA 0.054 4.524 4.470 0.000 0.000 0.256 453 S C 1.357 175.773 174.600 -0.306 0.000 1.017 453 S CA 0.130 58.208 58.200 -0.203 0.000 1.144 453 S CB 0.277 63.385 63.200 -0.153 0.000 1.109 453 S HN 0.197 nan 8.310 nan 0.000 0.638 454 S N 2.889 118.294 115.700 -0.492 0.000 2.469 454 S HA -0.114 4.356 4.470 0.000 0.000 0.238 454 S C 2.163 176.552 174.600 -0.351 0.000 0.998 454 S CA 0.782 58.572 58.200 -0.683 0.000 0.957 454 S CB -0.825 61.690 63.200 -1.141 0.000 0.764 454 S HN 0.702 nan 8.310 nan 0.000 0.514 455 M N 0.683 120.213 119.600 -0.117 0.000 2.358 455 M HA 0.059 4.539 4.480 0.000 0.000 0.264 455 M C 0.891 177.198 176.300 0.011 0.000 1.064 455 M CA 1.451 56.791 55.300 0.066 0.000 1.093 455 M CB -1.204 31.464 32.600 0.113 0.000 1.401 455 M HN 0.092 nan 8.290 nan 0.000 0.440 456 E N 1.445 121.593 120.200 -0.086 0.000 2.516 456 E HA 0.122 4.472 4.350 0.000 0.000 0.199 456 E C 2.190 178.716 176.600 -0.124 0.000 1.069 456 E CA 0.330 56.702 56.400 -0.047 0.000 0.876 456 E CB -0.513 29.172 29.700 -0.025 0.000 0.843 456 E HN 0.627 nan 8.360 nan 0.000 0.530 457 L N 0.774 121.785 121.223 -0.353 0.000 2.191 457 L HA -0.142 4.198 4.340 0.000 0.000 0.212 457 L C 2.517 179.271 176.870 -0.193 0.000 1.103 457 L CA 0.965 55.525 54.840 -0.467 0.000 0.769 457 L CB -0.159 41.234 42.059 -1.110 0.000 0.908 457 L HN 0.087 nan 8.230 nan 0.000 0.438 458 E N 0.015 120.242 120.200 0.044 0.000 2.072 458 E HA -0.169 4.181 4.350 0.000 0.000 0.191 458 E C 1.935 178.613 176.600 0.130 0.000 0.985 458 E CA 1.738 58.300 56.400 0.271 0.000 0.801 458 E CB 0.070 29.972 29.700 0.337 0.000 0.750 458 E HN 0.374 nan 8.360 nan 0.000 0.452 459 T N 1.084 115.696 114.554 0.098 0.000 2.746 459 T HA -0.103 4.247 4.350 0.000 0.000 0.267 459 T C 1.901 176.653 174.700 0.086 0.000 1.039 459 T CA 1.675 63.840 62.100 0.108 0.000 1.142 459 T CB -0.332 68.613 68.868 0.127 0.000 0.866 459 T HN 0.323 nan 8.240 nan 0.000 0.444 460 A N 0.972 123.811 122.820 0.032 0.000 1.877 460 A HA -0.056 4.264 4.320 0.000 0.000 0.216 460 A C 2.607 180.171 177.584 -0.034 0.000 1.186 460 A CA 1.442 53.466 52.037 -0.021 0.000 0.620 460 A CB -1.073 17.886 19.000 -0.069 0.000 0.822 460 A HN 0.345 nan 8.150 nan 0.000 0.443 461 V N 0.152 120.070 119.914 0.006 0.000 2.295 461 V HA -0.265 3.855 4.120 0.000 0.000 0.246 461 V C 2.676 178.794 176.094 0.041 0.000 1.049 461 V CA 2.352 64.667 62.300 0.025 0.000 1.024 461 V CB -0.821 31.049 31.823 0.079 0.000 0.648 461 V HN 0.722 nan 8.190 nan 0.000 0.447 462 R N -0.143 120.398 120.500 0.068 0.000 2.127 462 R HA -0.123 4.217 4.340 0.000 0.000 0.238 462 R C 2.006 178.361 176.300 0.092 0.000 1.134 462 R CA 1.642 57.789 56.100 0.080 0.000 0.975 462 R CB -0.205 30.151 30.300 0.093 0.000 0.865 462 R HN 0.479 nan 8.270 nan 0.000 0.447 463 L N 0.151 121.434 121.223 0.099 0.000 2.529 463 L HA 0.148 4.488 4.340 0.000 0.000 0.223 463 L C 0.379 177.317 176.870 0.113 0.000 1.113 463 L CA 0.293 55.231 54.840 0.163 0.000 0.861 463 L CB 0.128 42.344 42.059 0.261 0.000 1.012 463 L HN 0.149 nan 8.230 nan 0.000 0.461 464 K N -0.419 119.968 120.400 -0.022 0.000 3.192 464 K HA -0.164 4.156 4.320 0.000 0.000 0.278 464 K C 0.314 176.644 176.600 -0.450 0.000 1.164 464 K CA 0.343 56.572 56.287 -0.097 0.000 0.816 464 K CB -1.856 30.670 32.500 0.044 0.000 1.256 464 K HN 0.327 nan 8.250 nan 0.000 0.497 465 A N 1.373 123.735 122.820 -0.764 0.000 2.520 465 A HA 0.119 4.439 4.320 0.000 0.000 0.245 465 A C 0.509 177.372 177.584 -1.201 0.000 1.072 465 A CA 0.091 51.067 52.037 -1.769 0.000 0.761 465 A CB 0.149 18.637 19.000 -0.854 0.000 1.004 465 A HN 0.344 nan 8.150 nan 0.000 0.499 466 N N 2.383 120.177 118.700 -1.510 0.000 3.124 466 N HA 0.313 5.053 4.740 0.000 0.000 0.284 466 N C -1.024 174.281 175.510 -0.342 0.000 1.209 466 N CA 0.159 52.887 53.050 -0.538 0.000 1.149 466 N CB -0.143 38.270 38.487 -0.122 0.000 1.434 466 N HN 0.291 nan 8.380 nan 0.000 0.529 467 V N 2.390 122.139 119.914 -0.276 0.000 2.555 467 V HA 0.430 4.550 4.120 0.000 0.000 0.302 467 V C -0.463 175.622 176.094 -0.015 0.000 1.038 467 V CA -1.057 61.189 62.300 -0.091 0.000 0.887 467 V CB 1.738 33.526 31.823 -0.059 0.000 0.991 467 V HN 0.250 nan 8.190 nan 0.000 0.434 468 L N 4.650 125.890 121.223 0.027 0.000 2.298 468 L HA 0.606 4.946 4.340 0.000 0.000 0.284 468 L C -0.716 176.193 176.870 0.065 0.000 1.013 468 L CA -0.194 54.669 54.840 0.037 0.000 0.824 468 L CB 0.999 43.059 42.059 0.001 0.000 1.221 468 L HN 0.762 nan 8.230 nan 0.000 0.418 469 H N 4.792 123.867 119.070 0.007 0.000 2.519 469 H HA 0.624 5.180 4.556 0.000 0.000 0.316 469 H C -1.211 174.083 175.328 -0.057 0.000 1.065 469 H CA -0.370 55.678 56.048 0.001 0.000 1.264 469 H CB 0.930 30.727 29.762 0.058 0.000 1.413 469 H HN 0.697 nan 8.280 nan 0.000 0.465 470 L N 6.619 127.544 121.223 -0.497 0.000 2.309 470 L HA 0.434 4.774 4.340 0.000 0.000 0.282 470 L C -0.415 176.192 176.870 -0.438 0.000 1.036 470 L CA -0.751 53.895 54.840 -0.325 0.000 0.806 470 L CB 1.625 43.594 42.059 -0.150 0.000 1.220 470 L HN 0.596 nan 8.230 nan 0.000 0.429 471 I N 1.023 121.400 120.570 -0.322 0.000 2.418 471 I HA 0.221 4.391 4.170 0.000 0.000 0.287 471 I C -1.123 174.897 176.117 -0.162 0.000 1.008 471 I CA -0.393 60.687 61.300 -0.366 0.000 1.104 471 I CB 1.576 39.125 38.000 -0.752 0.000 1.264 471 I HN 0.482 nan 8.210 nan 0.000 0.438 472 W N 6.377 127.436 121.300 -0.402 0.000 2.387 472 W HA 0.387 5.047 4.660 -0.000 0.000 0.310 472 W C -0.307 176.085 176.519 -0.212 0.000 1.181 472 W CA -0.581 56.599 57.345 -0.274 0.000 1.333 472 W CB 0.785 30.145 29.460 -0.166 0.000 1.286 472 W HN 0.075 nan 8.180 nan 0.000 0.455 473 V N 5.811 125.687 119.914 -0.064 0.000 2.364 473 V HA 0.129 4.249 4.120 0.000 0.000 0.272 473 V C 0.627 176.699 176.094 -0.036 0.000 1.036 473 V CA -0.296 61.996 62.300 -0.013 0.000 0.880 473 V CB 1.295 33.130 31.823 0.021 0.000 0.991 473 V HN 0.617 nan 8.190 nan 0.000 0.460 474 D N 3.055 123.481 120.400 0.045 0.000 2.514 474 D HA 0.006 4.646 4.640 0.000 0.000 0.225 474 D C 0.408 176.691 176.300 -0.029 0.000 1.159 474 D CA -0.197 53.802 54.000 -0.002 0.000 0.823 474 D CB 0.177 41.064 40.800 0.145 0.000 1.097 474 D HN 0.472 nan 8.370 nan 0.000 0.519 475 N N 0.371 119.083 118.700 0.020 0.000 2.776 475 N HA -0.093 4.647 4.740 0.000 0.000 0.249 475 N C 0.210 175.160 175.510 -0.933 0.000 1.111 475 N CA 1.393 54.389 53.050 -0.090 0.000 0.711 475 N CB -1.325 37.149 38.487 -0.021 0.000 1.065 475 N HN 0.670 nan 8.380 nan 0.000 0.556 476 G N -1.507 106.613 108.800 -1.133 0.000 2.488 476 G HA2 0.486 4.446 3.960 0.000 0.000 0.301 476 G HA3 0.486 4.446 3.960 0.000 0.000 0.301 476 G C -1.655 172.889 174.900 -0.594 0.000 1.339 476 G CA -0.866 43.403 45.100 -1.384 0.000 0.803 476 G HN 0.080 nan 8.290 nan 0.000 0.482 477 Y N 2.108 122.327 120.300 -0.135 0.000 2.907 477 Y HA 0.261 4.811 4.550 0.000 0.000 0.332 477 Y C 1.806 177.716 175.900 0.016 0.000 1.211 477 Y CA -0.676 57.466 58.100 0.070 0.000 1.387 477 Y CB 0.795 39.320 38.460 0.109 0.000 1.396 477 Y HN 0.598 nan 8.280 nan 0.000 0.519 478 N N 2.003 120.794 118.700 0.151 0.000 2.104 478 N HA -0.235 4.505 4.740 0.000 0.000 0.190 478 N C 1.909 177.386 175.510 -0.055 0.000 1.024 478 N CA 1.478 54.542 53.050 0.024 0.000 0.853 478 N CB 0.105 38.552 38.487 -0.066 0.000 1.008 478 N HN 0.681 nan 8.380 nan 0.000 0.424 479 M N 0.424 119.994 119.600 -0.051 0.000 2.202 479 M HA -0.142 4.338 4.480 0.000 0.000 0.262 479 M C 1.796 178.052 176.300 -0.073 0.000 1.063 479 M CA 1.222 56.456 55.300 -0.110 0.000 1.097 479 M CB 0.188 32.705 32.600 -0.139 0.000 1.382 479 M HN -0.032 nan 8.290 nan 0.000 0.413 480 V N -0.119 119.788 119.914 -0.012 0.000 2.407 480 V HA -0.122 3.998 4.120 0.000 0.000 0.245 480 V C 2.548 178.648 176.094 0.009 0.000 1.041 480 V CA 1.542 63.840 62.300 -0.003 0.000 1.040 480 V CB -1.218 30.622 31.823 0.028 0.000 0.671 480 V HN 0.596 nan 8.190 nan 0.000 0.455 481 A N 1.287 124.125 122.820 0.029 0.000 1.883 481 A HA -0.230 4.090 4.320 0.000 0.000 0.217 481 A C 2.162 179.740 177.584 -0.010 0.000 1.186 481 A CA 2.276 54.328 52.037 0.024 0.000 0.624 481 A CB -0.684 18.331 19.000 0.024 0.000 0.822 481 A HN 0.702 nan 8.150 nan 0.000 0.444 482 I N -3.017 117.528 120.570 -0.042 0.000 2.394 482 I HA -0.250 3.920 4.170 0.000 0.000 0.251 482 I C 2.161 178.231 176.117 -0.078 0.000 1.136 482 I CA 1.880 63.145 61.300 -0.058 0.000 1.425 482 I CB -0.623 37.328 38.000 -0.082 0.000 1.079 482 I HN 0.328 nan 8.210 nan 0.000 0.425 483 Q N 1.267 121.014 119.800 -0.088 0.000 2.123 483 Q HA -0.127 4.213 4.340 0.000 0.000 0.199 483 Q C 2.100 177.989 176.000 -0.184 0.000 0.966 483 Q CA 1.499 57.228 55.803 -0.124 0.000 0.845 483 Q CB -0.047 28.627 28.738 -0.106 0.000 0.907 483 Q HN 0.643 nan 8.270 nan 0.000 0.439 484 E N 0.817 120.954 120.200 -0.104 0.000 2.072 484 E HA -0.208 4.142 4.350 0.000 0.000 0.191 484 E C 1.855 178.388 176.600 -0.112 0.000 0.985 484 E CA 0.782 57.136 56.400 -0.076 0.000 0.801 484 E CB 0.037 29.821 29.700 0.139 0.000 0.750 484 E HN 0.342 nan 8.360 nan 0.000 0.452 485 E N 1.426 121.592 120.200 -0.056 0.000 2.038 485 E HA -0.282 4.068 4.350 0.000 0.000 0.195 485 E C 2.065 178.616 176.600 -0.081 0.000 1.000 485 E CA 1.466 57.846 56.400 -0.034 0.000 0.803 485 E CB 0.070 29.759 29.700 -0.017 0.000 0.750 485 E HN -0.099 nan 8.360 nan 0.000 0.448 486 K N 0.971 121.300 120.400 -0.119 0.000 2.044 486 K HA -0.180 4.140 4.320 0.000 0.000 0.210 486 K C 1.871 178.361 176.600 -0.184 0.000 1.049 486 K CA 2.029 58.240 56.287 -0.126 0.000 0.927 486 K CB -0.009 32.416 32.500 -0.125 0.000 0.713 486 K HN 0.031 nan 8.250 nan 0.000 0.443 487 K N -1.667 118.512 120.400 -0.369 0.000 2.211 487 K HA -0.001 4.319 4.320 0.000 0.000 0.201 487 K C 1.468 177.822 176.600 -0.410 0.000 1.052 487 K CA 1.198 57.169 56.287 -0.527 0.000 0.973 487 K CB 0.160 32.091 32.500 -0.948 0.000 0.766 487 K HN 0.289 nan 8.250 nan 0.000 0.466 488 Y N -0.262 120.037 120.300 -0.001 0.000 2.426 488 Y HA 0.179 4.729 4.550 0.000 0.000 0.249 488 Y C 0.024 175.926 175.900 0.003 0.000 1.103 488 Y CA -0.707 57.394 58.100 0.001 0.000 1.256 488 Y CB 0.665 39.126 38.460 0.001 0.000 1.208 488 Y HN -0.081 nan 8.280 nan 0.000 0.519 489 Q N 1.206 121.057 119.800 0.086 0.000 2.494 489 Q HA -0.229 4.111 4.340 0.000 0.000 0.266 489 Q C -0.467 175.579 176.000 0.077 0.000 1.053 489 Q CA 1.079 56.917 55.803 0.060 0.000 1.029 489 Q CB -1.432 27.335 28.738 0.050 0.000 1.423 489 Q HN 0.719 nan 8.270 nan 0.000 0.516 490 R N -1.621 118.945 120.500 0.109 0.000 2.690 490 R HA 0.734 5.074 4.340 0.000 0.000 0.269 490 R C -1.396 174.971 176.300 0.112 0.000 1.037 490 R CA -1.083 55.072 56.100 0.092 0.000 0.877 490 R CB 1.101 31.449 30.300 0.080 0.000 1.255 490 R HN 0.007 nan 8.270 nan 0.000 0.467 491 L N 1.119 122.388 121.223 0.077 0.000 2.322 491 L HA 0.763 5.103 4.340 0.000 0.000 0.269 491 L C -0.443 176.467 176.870 0.066 0.000 1.012 491 L CA -1.104 53.782 54.840 0.077 0.000 0.815 491 L CB 2.207 44.297 42.059 0.051 0.000 1.295 491 L HN 0.990 nan 8.230 nan 0.000 0.438 492 S N -1.081 114.664 115.700 0.074 0.000 2.592 492 S HA 0.556 5.026 4.470 0.000 0.000 0.275 492 S C 0.145 174.794 174.600 0.082 0.000 1.169 492 S CA -0.165 58.072 58.200 0.062 0.000 0.958 492 S CB 1.498 64.721 63.200 0.040 0.000 1.095 492 S HN 1.178 nan 8.310 nan 0.000 0.471 493 G N 1.270 110.123 108.800 0.088 0.000 2.203 493 G HA2 -0.260 3.700 3.960 0.000 0.000 0.263 493 G HA3 -0.260 3.700 3.960 0.000 0.000 0.263 493 G C 0.511 175.539 174.900 0.213 0.000 1.012 493 G CA 0.776 45.957 45.100 0.135 0.000 0.749 493 G HN 2.117 nan 8.290 nan 0.000 0.512 494 V N -3.671 116.334 119.914 0.151 0.000 3.380 494 V HA 0.570 4.690 4.120 0.000 0.000 0.307 494 V C 0.331 176.366 176.094 -0.098 0.000 1.434 494 V CA 0.380 62.777 62.300 0.162 0.000 1.075 494 V CB 0.283 32.185 31.823 0.132 0.000 0.954 494 V HN 0.333 nan 8.190 nan 0.000 0.444 495 E N 1.599 121.734 120.200 -0.109 0.000 2.176 495 E HA 0.692 5.042 4.350 0.000 0.000 0.267 495 E C -1.145 175.361 176.600 -0.158 0.000 0.893 495 E CA -0.637 55.612 56.400 -0.253 0.000 0.761 495 E CB 2.123 31.756 29.700 -0.111 0.000 1.133 495 E HN 0.513 nan 8.360 nan 0.000 0.409 496 F N -0.337 119.570 119.950 -0.072 0.000 2.691 496 F HA 0.795 5.322 4.527 0.000 0.000 0.334 496 F C 0.524 176.301 175.800 -0.038 0.000 1.107 496 F CA -1.442 56.522 58.000 -0.062 0.000 0.991 496 F CB -0.069 38.866 39.000 -0.109 0.000 1.400 496 F HN 0.395 nan 8.300 nan 0.000 0.503 497 G N 0.087 109.080 108.800 0.323 0.000 2.616 497 G HA2 0.545 4.505 3.960 0.000 0.000 0.268 497 G HA3 0.545 4.505 3.960 0.000 0.000 0.268 497 G C -2.743 172.275 174.900 0.197 0.000 1.213 497 G CA -1.349 43.858 45.100 0.179 0.000 0.926 497 G HN 0.650 nan 8.290 nan 0.000 0.523 498 P HA 0.466 nan 4.420 nan 0.000 0.280 498 P C -0.787 176.467 177.300 -0.076 0.000 1.272 498 P CA -0.380 62.748 63.100 0.047 0.000 0.819 498 P CB 1.704 33.420 31.700 0.028 0.000 1.122 499 M N -0.110 119.357 119.600 -0.223 0.000 2.622 499 M HA 0.236 4.716 4.480 0.000 0.000 0.276 499 M C -1.068 174.933 176.300 -0.498 0.000 1.265 499 M CA -0.558 54.455 55.300 -0.478 0.000 0.850 499 M CB 2.507 34.539 32.600 -0.946 0.000 1.720 499 M HN 0.214 nan 8.290 nan 0.000 0.465 500 D N 0.828 121.012 120.400 -0.359 0.000 2.493 500 D HA 0.303 4.943 4.640 0.000 0.000 0.235 500 D C 0.021 176.254 176.300 -0.112 0.000 1.117 500 D CA -0.156 53.748 54.000 -0.159 0.000 0.930 500 D CB 0.066 40.838 40.800 -0.047 0.000 1.010 500 D HN 0.400 nan 8.370 nan 0.000 0.514 501 F N 1.665 121.656 119.950 0.069 0.000 2.333 501 F HA -0.051 4.476 4.527 0.000 0.000 0.300 501 F C 2.416 178.313 175.800 0.162 0.000 1.083 501 F CA 0.578 58.635 58.000 0.095 0.000 1.395 501 F CB 0.054 39.011 39.000 -0.073 0.000 1.056 501 F HN 0.299 nan 8.300 nan 0.000 0.529 502 K N 0.919 121.466 120.400 0.244 0.000 2.001 502 K HA -0.141 4.179 4.320 0.000 0.000 0.208 502 K C 2.319 179.000 176.600 0.135 0.000 1.048 502 K CA 1.284 57.662 56.287 0.151 0.000 0.932 502 K CB -0.318 32.224 32.500 0.070 0.000 0.715 502 K HN 0.164 nan 8.250 nan 0.000 0.437 503 A N 0.122 123.012 122.820 0.118 0.000 1.969 503 A HA -0.165 4.155 4.320 0.000 0.000 0.218 503 A C 2.033 179.707 177.584 0.149 0.000 1.169 503 A CA 1.225 53.315 52.037 0.088 0.000 0.635 503 A CB -0.835 18.195 19.000 0.051 0.000 0.810 503 A HN 0.584 nan 8.150 nan 0.000 0.445 504 Y N 0.640 121.014 120.300 0.124 0.000 2.097 504 Y HA -0.176 4.374 4.550 0.000 0.000 0.282 504 Y C 2.681 178.806 175.900 0.375 0.000 1.152 504 Y CA 1.723 59.961 58.100 0.230 0.000 1.136 504 Y CB -0.455 38.185 38.460 0.300 0.000 0.975 504 Y HN 0.307 nan 8.280 nan 0.000 0.498 505 A N 0.099 123.219 122.820 0.500 0.000 1.930 505 A HA -0.175 4.145 4.320 0.000 0.000 0.217 505 A C 2.025 179.772 177.584 0.271 0.000 1.175 505 A CA 1.775 54.056 52.037 0.406 0.000 0.627 505 A CB -0.685 18.509 19.000 0.323 0.000 0.815 505 A HN 0.653 nan 8.150 nan 0.000 0.443 506 E N 0.448 120.742 120.200 0.157 0.000 2.153 506 E HA -0.156 4.194 4.350 0.000 0.000 0.194 506 E C 2.238 178.867 176.600 0.049 0.000 0.988 506 E CA 1.280 57.724 56.400 0.073 0.000 0.811 506 E CB -0.247 29.461 29.700 0.013 0.000 0.746 506 E HN 0.795 nan 8.360 nan 0.000 0.466 507 S N 0.504 116.210 115.700 0.009 0.000 2.419 507 S HA -0.158 4.312 4.470 0.000 0.000 0.235 507 S C 1.666 176.146 174.600 -0.200 0.000 1.019 507 S CA 0.819 58.936 58.200 -0.139 0.000 0.982 507 S CB -0.426 62.605 63.200 -0.281 0.000 0.789 507 S HN 0.177 nan 8.310 nan 0.000 0.490 508 F N 1.936 121.830 119.950 -0.093 0.000 2.615 508 F HA 0.356 4.883 4.527 0.000 0.000 0.297 508 F C 2.116 177.896 175.800 -0.033 0.000 1.124 508 F CA 0.422 58.381 58.000 -0.067 0.000 1.451 508 F CB -0.185 38.783 39.000 -0.053 0.000 1.103 508 F HN 0.453 nan 8.300 nan 0.000 0.569 509 G N 0.023 108.905 108.800 0.135 0.000 2.144 509 G HA2 -0.038 3.922 3.960 0.000 0.000 0.218 509 G HA3 -0.038 3.922 3.960 0.000 0.000 0.218 509 G C 0.131 175.084 174.900 0.088 0.000 0.988 509 G CA -0.211 44.936 45.100 0.080 0.000 0.659 509 G HN 0.601 nan 8.290 nan 0.000 0.522 510 A N -0.213 122.681 122.820 0.123 0.000 2.281 510 A HA 0.801 5.121 4.320 0.000 0.000 0.329 510 A C 0.256 177.888 177.584 0.081 0.000 1.122 510 A CA -0.577 51.519 52.037 0.099 0.000 0.850 510 A CB 0.843 19.907 19.000 0.106 0.000 1.207 510 A HN 0.129 nan 8.150 nan 0.000 0.495 511 K N 0.934 121.388 120.400 0.091 0.000 2.276 511 K HA 0.430 4.750 4.320 0.000 0.000 0.285 511 K C 0.169 176.806 176.600 0.061 0.000 1.062 511 K CA 0.159 56.472 56.287 0.044 0.000 0.918 511 K CB 0.925 33.529 32.500 0.173 0.000 1.055 511 K HN 0.784 nan 8.250 nan 0.000 0.477 512 G N 2.298 111.003 108.800 -0.159 0.000 2.420 512 G HA2 0.728 4.688 3.960 0.000 0.000 0.331 512 G HA3 0.728 4.688 3.960 0.000 0.000 0.331 512 G C -1.216 173.468 174.900 -0.359 0.000 1.168 512 G CA -0.452 44.620 45.100 -0.047 0.000 0.936 512 G HN 0.309 nan 8.290 nan 0.000 0.479 513 F N 0.053 120.038 119.950 0.057 0.000 2.591 513 F HA 0.700 5.228 4.527 0.000 0.000 0.309 513 F C 0.168 175.991 175.800 0.038 0.000 1.098 513 F CA -1.045 56.976 58.000 0.035 0.000 0.937 513 F CB 2.758 41.765 39.000 0.011 0.000 1.250 513 F HN 0.680 nan 8.300 nan 0.000 0.447 514 A N 1.969 124.915 122.820 0.210 0.000 2.357 514 A HA 0.702 5.022 4.320 0.000 0.000 0.295 514 A C -1.277 176.378 177.584 0.118 0.000 1.121 514 A CA -0.740 51.387 52.037 0.150 0.000 0.742 514 A CB 0.827 19.907 19.000 0.134 0.000 1.181 514 A HN 0.545 nan 8.150 nan 0.000 0.454 515 V N 3.322 123.293 119.914 0.095 0.000 2.446 515 V HA 0.060 4.180 4.120 0.000 0.000 0.276 515 V C 0.832 176.992 176.094 0.110 0.000 1.030 515 V CA 0.659 63.002 62.300 0.072 0.000 1.033 515 V CB 0.317 32.168 31.823 0.046 0.000 0.993 515 V HN 1.009 nan 8.190 nan 0.000 0.477 516 E N 2.787 122.962 120.200 -0.041 0.000 2.498 516 E HA 0.177 4.527 4.350 0.000 0.000 0.203 516 E C 0.402 176.477 176.600 -0.875 0.000 1.013 516 E CA 0.194 56.456 56.400 -0.230 0.000 0.927 516 E CB 0.776 30.388 29.700 -0.147 0.000 1.012 516 E HN 0.794 nan 8.360 nan 0.000 0.482 517 S N -1.650 113.638 115.700 -0.686 0.000 2.595 517 S HA 0.520 4.990 4.470 0.000 0.000 0.270 517 S C 0.563 175.034 174.600 -0.215 0.000 1.145 517 S CA -0.352 57.389 58.200 -0.765 0.000 0.825 517 S CB 1.268 64.193 63.200 -0.458 0.000 1.107 517 S HN -0.047 nan 8.310 nan 0.000 0.461 518 A N 1.570 124.353 122.820 -0.062 0.000 1.865 518 A HA -0.103 4.217 4.320 0.000 0.000 0.217 518 A C 1.970 179.525 177.584 -0.048 0.000 1.191 518 A CA 1.956 54.001 52.037 0.013 0.000 0.623 518 A CB -1.481 17.535 19.000 0.026 0.000 0.826 518 A HN 1.099 nan 8.150 nan 0.000 0.444 519 E N -0.111 120.047 120.200 -0.069 0.000 2.265 519 E HA -0.006 4.344 4.350 0.000 0.000 0.196 519 E C 1.717 178.276 176.600 -0.068 0.000 0.996 519 E CA 1.013 57.373 56.400 -0.066 0.000 0.832 519 E CB -0.347 29.314 29.700 -0.065 0.000 0.756 519 E HN 0.503 nan 8.360 nan 0.000 0.491 520 A N 1.151 123.924 122.820 -0.078 0.000 2.067 520 A HA 0.009 4.329 4.320 0.000 0.000 0.217 520 A C 2.039 179.588 177.584 -0.059 0.000 1.156 520 A CA 0.603 52.601 52.037 -0.064 0.000 0.683 520 A CB -0.421 18.536 19.000 -0.071 0.000 0.808 520 A HN 0.303 nan 8.150 nan 0.000 0.455 521 L N 0.561 121.746 121.223 -0.064 0.000 1.941 521 L HA -0.242 4.098 4.340 0.000 0.000 0.224 521 L C 2.135 178.949 176.870 -0.094 0.000 1.081 521 L CA 2.871 57.663 54.840 -0.081 0.000 0.784 521 L CB -0.999 41.003 42.059 -0.094 0.000 0.894 521 L HN 0.415 nan 8.230 nan 0.000 0.436 522 E N -0.301 119.847 120.200 -0.087 0.000 2.070 522 E HA -0.193 4.157 4.350 0.000 0.000 0.197 522 E C -0.151 176.397 176.600 -0.087 0.000 1.004 522 E CA 2.222 58.571 56.400 -0.085 0.000 0.805 522 E CB -1.637 28.019 29.700 -0.073 0.000 0.744 522 E HN 0.498 nan 8.360 nan 0.000 0.451 523 P HA -0.082 nan 4.420 nan 0.000 0.217 523 P C 1.089 178.329 177.300 -0.100 0.000 1.150 523 P CA 1.512 64.571 63.100 -0.068 0.000 0.832 523 P CB 0.044 31.717 31.700 -0.044 0.000 0.787 524 T N -0.225 114.262 114.554 -0.112 0.000 2.708 524 T HA -0.095 4.255 4.350 0.000 0.000 0.266 524 T C 1.746 176.230 174.700 -0.360 0.000 1.037 524 T CA 1.095 63.078 62.100 -0.194 0.000 1.146 524 T CB -0.942 67.864 68.868 -0.103 0.000 0.865 524 T HN 0.051 nan 8.240 nan 0.000 0.435 525 L N 0.610 121.689 121.223 -0.241 0.000 2.046 525 L HA -0.094 4.246 4.340 0.000 0.000 0.208 525 L C 2.863 179.603 176.870 -0.217 0.000 1.077 525 L CA 1.155 55.857 54.840 -0.230 0.000 0.747 525 L CB -0.474 41.501 42.059 -0.141 0.000 0.896 525 L HN 0.113 nan 8.230 nan 0.000 0.432 526 R N 0.944 121.346 120.500 -0.163 0.000 2.081 526 R HA -0.127 4.213 4.340 0.000 0.000 0.235 526 R C 2.151 178.369 176.300 -0.137 0.000 1.131 526 R CA 1.858 57.887 56.100 -0.118 0.000 0.960 526 R CB -0.799 29.454 30.300 -0.079 0.000 0.856 526 R HN 0.310 nan 8.270 nan 0.000 0.436 527 A N 0.065 122.771 122.820 -0.190 0.000 1.930 527 A HA 0.048 4.368 4.320 0.000 0.000 0.217 527 A C 2.350 179.782 177.584 -0.253 0.000 1.175 527 A CA 1.679 53.622 52.037 -0.157 0.000 0.627 527 A CB -0.923 18.023 19.000 -0.089 0.000 0.815 527 A HN 0.475 nan 8.150 nan 0.000 0.443 528 A N -1.163 121.305 122.820 -0.586 0.000 1.929 528 A HA -0.034 4.286 4.320 0.000 0.000 0.216 528 A C 2.155 179.638 177.584 -0.168 0.000 1.176 528 A CA 1.716 53.444 52.037 -0.514 0.000 0.628 528 A CB -0.431 18.158 19.000 -0.685 0.000 0.816 528 A HN 0.395 nan 8.150 nan 0.000 0.444 529 M N 0.093 119.603 119.600 -0.150 0.000 2.159 529 M HA -0.111 4.369 4.480 0.000 0.000 0.263 529 M C 0.935 177.217 176.300 -0.029 0.000 1.063 529 M CA 1.298 56.558 55.300 -0.066 0.000 1.110 529 M CB -1.185 31.381 32.600 -0.057 0.000 1.374 529 M HN 0.328 nan 8.290 nan 0.000 0.411 530 D N 0.079 120.460 120.400 -0.032 0.000 2.348 530 D HA -0.005 4.635 4.640 0.000 0.000 0.216 530 D C 0.365 176.681 176.300 0.028 0.000 0.970 530 D CA 0.250 54.251 54.000 0.003 0.000 0.889 530 D CB 0.154 40.957 40.800 0.004 0.000 0.912 530 D HN 0.110 nan 8.370 nan 0.000 0.524 531 V N 1.634 121.571 119.914 0.038 0.000 2.572 531 V HA -0.060 4.060 4.120 0.000 0.000 0.291 531 V C 0.402 176.519 176.094 0.039 0.000 1.039 531 V CA -0.239 62.099 62.300 0.064 0.000 1.055 531 V CB 1.192 33.082 31.823 0.112 0.000 0.969 531 V HN -0.060 nan 8.190 nan 0.000 0.482 532 D N 3.979 124.403 120.400 0.039 0.000 2.522 532 D HA 0.531 5.171 4.640 0.000 0.000 0.218 532 D C 0.341 176.646 176.300 0.008 0.000 1.149 532 D CA 1.177 55.196 54.000 0.031 0.000 0.981 532 D CB -0.126 40.702 40.800 0.046 0.000 1.041 532 D HN 0.881 nan 8.370 nan 0.000 0.518 533 G N 2.495 111.275 108.800 -0.033 0.000 2.350 533 G HA2 0.073 4.033 3.960 0.000 0.000 0.282 533 G HA3 0.073 4.033 3.960 0.000 0.000 0.282 533 G C -3.004 171.845 174.900 -0.084 0.000 1.314 533 G CA -1.085 43.965 45.100 -0.082 0.000 0.915 533 G HN 0.170 nan 8.290 nan 0.000 0.499 534 P HA 0.523 nan 4.420 nan 0.000 0.271 534 P C -0.320 177.006 177.300 0.044 0.000 1.216 534 P CA 0.614 63.688 63.100 -0.042 0.000 0.776 534 P CB 1.465 33.137 31.700 -0.047 0.000 0.881 535 A N 2.196 125.064 122.820 0.080 0.000 2.547 535 A HA 0.651 4.971 4.320 0.000 0.000 0.297 535 A C -1.492 176.198 177.584 0.176 0.000 1.056 535 A CA -0.510 51.629 52.037 0.171 0.000 0.688 535 A CB 1.261 20.374 19.000 0.188 0.000 1.282 535 A HN 0.274 nan 8.150 nan 0.000 0.400 536 V N 1.356 121.416 119.914 0.243 0.000 2.709 536 V HA 0.641 4.761 4.120 0.000 0.000 0.308 536 V C -0.698 175.525 176.094 0.215 0.000 1.062 536 V CA -0.602 61.814 62.300 0.194 0.000 0.901 536 V CB 1.807 33.744 31.823 0.190 0.000 1.003 536 V HN 0.767 nan 8.190 nan 0.000 0.425 537 V N 3.371 123.326 119.914 0.068 0.000 2.444 537 V HA 0.774 4.894 4.120 0.000 0.000 0.294 537 V C 0.278 176.328 176.094 -0.074 0.000 1.022 537 V CA -0.568 61.759 62.300 0.045 0.000 0.850 537 V CB 1.799 33.586 31.823 -0.062 0.000 0.992 537 V HN 1.017 nan 8.190 nan 0.000 0.426 538 A N 6.505 129.304 122.820 -0.034 0.000 2.290 538 A HA 0.886 5.206 4.320 0.000 0.000 0.310 538 A C -0.546 176.987 177.584 -0.085 0.000 1.202 538 A CA -0.350 51.611 52.037 -0.126 0.000 0.837 538 A CB 0.308 19.327 19.000 0.032 0.000 1.139 538 A HN 0.797 nan 8.150 nan 0.000 0.509 539 I N 3.659 124.127 120.570 -0.170 0.000 2.476 539 I HA 0.275 4.445 4.170 0.000 0.000 0.281 539 I C -2.636 173.332 176.117 -0.248 0.000 1.040 539 I CA -2.057 59.121 61.300 -0.203 0.000 1.094 539 I CB 2.245 40.038 38.000 -0.346 0.000 1.219 539 I HN 0.356 nan 8.210 nan 0.000 0.450 540 P HA 0.057 nan 4.420 nan 0.000 0.267 540 P C -0.617 176.420 177.300 -0.439 0.000 1.209 540 P CA 0.052 62.982 63.100 -0.284 0.000 0.763 540 P CB 1.065 32.564 31.700 -0.334 0.000 0.816 541 V N 3.428 123.064 119.914 -0.463 0.000 2.680 541 V HA 0.413 4.533 4.120 0.000 0.000 0.309 541 V C -0.916 174.849 176.094 -0.549 0.000 1.052 541 V CA -0.747 61.196 62.300 -0.595 0.000 0.908 541 V CB 2.068 33.436 31.823 -0.758 0.000 1.001 541 V HN 0.357 nan 8.190 nan 0.000 0.431 542 D N 4.404 124.517 120.400 -0.479 0.000 2.443 542 D HA 0.232 4.872 4.640 0.000 0.000 0.221 542 D C 0.053 176.216 176.300 -0.228 0.000 1.097 542 D CA 0.076 53.891 54.000 -0.308 0.000 0.865 542 D CB 0.691 41.342 40.800 -0.248 0.000 1.034 542 D HN 0.664 nan 8.370 nan 0.000 0.511 543 Y N 2.387 122.644 120.300 -0.072 0.000 2.462 543 Y HA 0.032 4.582 4.550 0.000 0.000 0.293 543 Y C 2.097 178.023 175.900 0.044 0.000 1.195 543 Y CA -0.544 57.569 58.100 0.023 0.000 1.276 543 Y CB 0.457 38.974 38.460 0.096 0.000 1.082 543 Y HN 0.278 nan 8.280 nan 0.000 0.514 544 R N 0.731 121.310 120.500 0.131 0.000 2.117 544 R HA -0.180 4.160 4.340 0.000 0.000 0.243 544 R C 1.135 177.519 176.300 0.139 0.000 1.143 544 R CA 1.799 57.962 56.100 0.104 0.000 0.968 544 R CB -0.199 30.134 30.300 0.055 0.000 0.863 544 R HN 0.249 nan 8.270 nan 0.000 0.444 545 D N -0.390 120.110 120.400 0.167 0.000 2.349 545 D HA -0.011 4.629 4.640 0.000 0.000 0.224 545 D C 0.746 177.258 176.300 0.353 0.000 1.029 545 D CA 0.170 54.326 54.000 0.260 0.000 0.879 545 D CB -0.067 40.939 40.800 0.343 0.000 0.906 545 D HN 0.168 nan 8.370 nan 0.000 0.528 546 N N 1.071 119.985 118.700 0.358 0.000 2.094 546 N HA -0.132 4.608 4.740 0.000 0.000 0.191 546 N C -1.036 174.524 175.510 0.083 0.000 1.023 546 N CA 0.997 54.210 53.050 0.271 0.000 0.857 546 N CB -1.274 37.307 38.487 0.157 0.000 1.013 546 N HN 0.257 nan 8.380 nan 0.000 0.426 547 P HA -0.094 nan 4.420 nan 0.000 0.217 547 P C 1.298 178.615 177.300 0.027 0.000 1.148 547 P CA 0.896 64.015 63.100 0.032 0.000 0.828 547 P CB 0.013 31.738 31.700 0.042 0.000 0.783 548 L N -2.215 119.047 121.223 0.065 0.000 2.313 548 L HA -0.063 4.277 4.340 0.000 0.000 0.214 548 L C 2.126 178.995 176.870 -0.001 0.000 1.119 548 L CA 0.578 55.453 54.840 0.058 0.000 0.809 548 L CB -0.500 41.633 42.059 0.122 0.000 0.933 548 L HN 0.037 nan 8.230 nan 0.000 0.449 549 L N -0.885 120.289 121.223 -0.082 0.000 2.253 549 L HA 0.005 4.345 4.340 0.000 0.000 0.205 549 L C 2.322 179.110 176.870 -0.136 0.000 1.078 549 L CA 1.233 55.932 54.840 -0.235 0.000 0.805 549 L CB -0.196 41.442 42.059 -0.702 0.000 0.963 549 L HN 0.073 nan 8.230 nan 0.000 0.459 550 M N -0.229 119.301 119.600 -0.116 0.000 2.267 550 M HA -0.030 4.450 4.480 0.000 0.000 0.263 550 M C 2.188 178.461 176.300 -0.046 0.000 1.063 550 M CA 1.335 56.582 55.300 -0.087 0.000 1.090 550 M CB -2.240 30.310 32.600 -0.083 0.000 1.392 550 M HN 0.402 nan 8.290 nan 0.000 0.422 551 G N -0.223 108.560 108.800 -0.029 0.000 2.471 551 G HA2 -0.193 3.767 3.960 0.000 0.000 0.219 551 G HA3 -0.193 3.767 3.960 0.000 0.000 0.219 551 G C 1.467 176.368 174.900 0.001 0.000 1.125 551 G CA 0.232 45.325 45.100 -0.010 0.000 0.775 551 G HN 0.564 nan 8.290 nan 0.000 0.548 552 Q N -0.506 119.302 119.800 0.014 0.000 2.403 552 Q HA 0.283 4.623 4.340 0.000 0.000 0.203 552 Q C 0.411 176.474 176.000 0.106 0.000 0.932 552 Q CA -0.212 55.626 55.803 0.059 0.000 0.945 552 Q CB 0.243 29.013 28.738 0.053 0.000 1.045 552 Q HN 0.386 nan 8.270 nan 0.000 0.511 553 L N 0.685 121.917 121.223 0.015 0.000 2.379 553 L HA 0.237 4.577 4.340 0.000 0.000 0.269 553 L C 0.741 177.570 176.870 -0.068 0.000 1.084 553 L CA -0.898 53.880 54.840 -0.103 0.000 0.802 553 L CB 0.575 42.553 42.059 -0.136 0.000 1.175 553 L HN 0.191 nan 8.230 nan 0.000 0.448 554 H N 0.000 119.045 119.070 -0.042 0.000 2.539 554 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 554 H CA 0.000 56.046 56.048 -0.003 0.000 1.023 554 H CB 0.000 29.777 29.762 0.025 0.000 1.292 554 H HN 0.000 nan 8.280 nan 0.000 0.496