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 1l5v_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.572 174.600 -0.047 0.000 1.055 1 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 1 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 2 Q N 1.422 121.195 119.800 -0.045 0.000 2.264 2 Q HA 0.160 4.500 4.340 0.001 0.000 0.296 2 Q C -2.196 173.833 176.000 0.048 0.000 1.103 2 Q CA -0.718 55.063 55.803 -0.035 0.000 0.967 2 Q CB -0.155 28.561 28.738 -0.037 0.000 1.090 2 Q HN 0.364 nan 8.270 nan 0.000 0.379 3 P HA 0.071 nan 4.420 nan 0.000 0.272 3 P C -0.874 176.715 177.300 0.481 0.000 1.223 3 P CA 0.178 63.415 63.100 0.228 0.000 0.784 3 P CB 0.555 32.358 31.700 0.172 0.000 0.923 4 I N 2.319 123.130 120.570 0.401 0.000 2.339 4 I HA 0.274 4.445 4.170 0.001 0.000 0.290 4 I C 0.199 176.334 176.117 0.030 0.000 0.994 4 I CA -0.785 60.669 61.300 0.257 0.000 1.191 4 I CB 0.489 38.550 38.000 0.102 0.000 1.343 4 I HN 0.240 nan 8.210 nan 0.000 0.458 5 F N 7.372 127.049 119.950 -0.455 0.000 2.484 5 F HA 0.248 4.776 4.527 0.001 0.000 0.360 5 F C 0.320 175.837 175.800 -0.471 0.000 1.101 5 F CA 0.155 57.539 58.000 -1.027 0.000 1.251 5 F CB 0.407 38.635 39.000 -1.287 0.000 1.132 5 F HN 0.480 nan 8.300 nan 0.000 0.570 6 N N 4.921 122.863 118.700 -1.263 0.000 2.461 6 N HA 0.072 4.813 4.740 0.001 0.000 0.284 6 N C 0.039 174.967 175.510 -0.971 0.000 1.049 6 N CA -0.320 52.267 53.050 -0.772 0.000 0.889 6 N CB 1.387 39.627 38.487 -0.413 0.000 1.365 6 N HN 0.876 nan 8.380 nan 0.000 0.499 7 D N 3.175 123.263 120.400 -0.521 0.000 2.123 7 D HA -0.173 4.468 4.640 0.001 0.000 0.196 7 D C 1.701 177.960 176.300 -0.067 0.000 0.992 7 D CA 1.517 55.414 54.000 -0.171 0.000 0.833 7 D CB 0.401 41.266 40.800 0.108 0.000 0.954 7 D HN 0.574 nan 8.370 nan 0.000 0.455 8 K N -0.480 119.860 120.400 -0.100 0.000 2.057 8 K HA -0.167 4.154 4.320 0.001 0.000 0.206 8 K C 2.112 178.661 176.600 -0.085 0.000 1.050 8 K CA 0.926 57.181 56.287 -0.053 0.000 0.935 8 K CB 0.055 32.521 32.500 -0.056 0.000 0.715 8 K HN 0.136 nan 8.250 nan 0.000 0.439 9 Q N 0.052 119.756 119.800 -0.159 0.000 2.096 9 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 9 Q C 1.952 177.874 176.000 -0.130 0.000 0.982 9 Q CA 1.384 57.091 55.803 -0.161 0.000 0.850 9 Q CB -0.510 28.105 28.738 -0.205 0.000 0.901 9 Q HN 0.357 nan 8.270 nan 0.000 0.422 10 F N 2.346 122.113 119.950 -0.304 0.000 2.095 10 F HA -0.244 4.284 4.527 0.001 0.000 0.298 10 F C 2.213 177.989 175.800 -0.040 0.000 1.104 10 F CA 1.588 59.491 58.000 -0.161 0.000 1.232 10 F CB -0.069 38.873 39.000 -0.097 0.000 0.987 10 F HN 0.056 nan 8.300 nan 0.000 0.475 11 Q N 0.477 120.263 119.800 -0.023 0.000 2.084 11 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 11 Q C 2.160 178.085 176.000 -0.126 0.000 0.978 11 Q CA 1.957 57.745 55.803 -0.024 0.000 0.844 11 Q CB -0.706 28.120 28.738 0.147 0.000 0.898 11 Q HN 0.607 nan 8.270 nan 0.000 0.426 12 E N 0.881 121.002 120.200 -0.130 0.000 2.051 12 E HA -0.138 4.212 4.350 0.001 0.000 0.192 12 E C 2.010 178.452 176.600 -0.264 0.000 0.991 12 E CA 1.003 57.298 56.400 -0.174 0.000 0.799 12 E CB -0.116 29.502 29.700 -0.137 0.000 0.748 12 E HN 0.353 nan 8.360 nan 0.000 0.449 13 A N 1.239 123.894 122.820 -0.275 0.000 1.877 13 A HA -0.192 4.129 4.320 0.001 0.000 0.216 13 A C 2.182 179.512 177.584 -0.423 0.000 1.186 13 A CA 1.163 53.012 52.037 -0.313 0.000 0.620 13 A CB -0.687 18.160 19.000 -0.257 0.000 0.822 13 A HN 0.231 nan 8.150 nan 0.000 0.443 14 L N 1.016 121.926 121.223 -0.521 0.000 2.013 14 L HA -0.214 4.126 4.340 0.001 0.000 0.212 14 L C 2.817 179.361 176.870 -0.544 0.000 1.073 14 L CA 2.927 57.459 54.840 -0.513 0.000 0.753 14 L CB -0.657 41.075 42.059 -0.543 0.000 0.890 14 L HN 0.549 nan 8.230 nan 0.000 0.432 15 S N -1.151 114.207 115.700 -0.569 0.000 2.419 15 S HA -0.193 4.277 4.470 0.001 0.000 0.233 15 S C 2.080 175.917 174.600 -1.271 0.000 1.016 15 S CA 0.885 58.389 58.200 -1.160 0.000 0.974 15 S CB -0.631 62.194 63.200 -0.625 0.000 0.786 15 S HN 0.537 nan 8.310 nan 0.000 0.492 16 R N 0.685 120.734 120.500 -0.752 0.000 2.115 16 R HA 0.018 4.359 4.340 0.001 0.000 0.230 16 R C 2.561 178.475 176.300 -0.643 0.000 1.111 16 R CA 1.284 57.019 56.100 -0.608 0.000 0.976 16 R CB -0.233 29.819 30.300 -0.414 0.000 0.870 16 R HN 0.481 nan 8.270 nan 0.000 0.445 17 Q N 0.147 119.539 119.800 -0.679 0.000 1.990 17 Q HA -0.176 4.165 4.340 0.001 0.000 0.200 17 Q C 2.092 177.498 176.000 -0.991 0.000 0.980 17 Q CA 1.589 56.940 55.803 -0.754 0.000 0.832 17 Q CB -0.643 27.735 28.738 -0.599 0.000 0.897 17 Q HN 0.615 nan 8.270 nan 0.000 0.427 18 W N 1.268 122.147 121.300 -0.702 0.000 2.402 18 W HA -0.091 4.570 4.660 0.001 0.000 0.286 18 W C 1.352 177.642 176.519 -0.382 0.000 1.221 18 W CA 0.672 57.675 57.345 -0.569 0.000 1.257 18 W CB -0.680 28.541 29.460 -0.398 0.000 1.120 18 W HN 0.219 nan 8.180 nan 0.000 0.551 19 Q N 0.942 120.412 119.800 -0.550 0.000 2.084 19 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 19 Q C 2.451 178.297 176.000 -0.257 0.000 0.978 19 Q CA 1.773 57.351 55.803 -0.375 0.000 0.844 19 Q CB -0.483 27.920 28.738 -0.558 0.000 0.898 19 Q HN 0.273 nan 8.270 nan 0.000 0.426 20 R N -0.108 120.165 120.500 -0.378 0.000 2.152 20 R HA -0.156 4.185 4.340 0.001 0.000 0.232 20 R C 1.231 177.482 176.300 -0.081 0.000 1.117 20 R CA 1.109 57.053 56.100 -0.260 0.000 0.981 20 R CB 0.100 30.207 30.300 -0.321 0.000 0.870 20 R HN 0.291 nan 8.270 nan 0.000 0.451 21 Y N -0.742 119.521 120.300 -0.060 0.000 2.546 21 Y HA 0.258 4.809 4.550 0.001 0.000 0.287 21 Y C 1.425 177.319 175.900 -0.011 0.000 1.158 21 Y CA 0.291 58.370 58.100 -0.035 0.000 1.307 21 Y CB -0.148 38.292 38.460 -0.033 0.000 1.036 21 Y HN 0.260 nan 8.280 nan 0.000 0.532 22 G N 0.743 109.613 108.800 0.117 0.000 2.248 22 G HA2 -0.238 3.722 3.960 0.001 0.000 0.263 22 G HA3 -0.238 3.722 3.960 0.001 0.000 0.263 22 G C -0.342 174.628 174.900 0.116 0.000 1.082 22 G CA 0.018 45.170 45.100 0.088 0.000 0.863 22 G HN 0.265 nan 8.290 nan 0.000 0.495 23 L N -0.894 120.440 121.223 0.185 0.000 2.332 23 L HA 0.509 4.849 4.340 0.001 0.000 0.269 23 L C 1.094 178.091 176.870 0.212 0.000 1.016 23 L CA -1.358 53.580 54.840 0.164 0.000 0.809 23 L CB 1.107 43.251 42.059 0.141 0.000 1.280 23 L HN -0.003 nan 8.230 nan 0.000 0.447 24 N N -0.049 118.682 118.700 0.052 0.000 2.424 24 N HA 0.010 4.750 4.740 0.001 0.000 0.178 24 N C -0.023 175.375 175.510 -0.187 0.000 1.060 24 N CA 0.360 53.435 53.050 0.041 0.000 0.901 24 N CB 0.448 38.932 38.487 -0.005 0.000 0.979 24 N HN 0.691 nan 8.380 nan 0.000 0.451 25 S N -2.358 112.955 115.700 -0.645 0.000 2.627 25 S HA 0.566 5.037 4.470 0.001 0.000 0.268 25 S C 0.390 174.094 174.600 -1.493 0.000 1.130 25 S CA -0.281 57.082 58.200 -1.394 0.000 0.819 25 S CB 0.877 63.726 63.200 -0.586 0.000 1.100 25 S HN -0.019 nan 8.310 nan 0.000 0.465 26 A N 1.028 122.797 122.820 -1.752 0.000 1.972 26 A HA 0.311 4.631 4.320 0.001 0.000 0.219 26 A C 2.244 179.575 177.584 -0.420 0.000 1.169 26 A CA 2.009 53.342 52.037 -1.174 0.000 0.635 26 A CB -1.497 17.052 19.000 -0.751 0.000 0.810 26 A HN 1.773 nan 8.150 nan 0.000 0.446 27 A N -0.159 122.576 122.820 -0.142 0.000 2.121 27 A HA -0.106 4.215 4.320 0.001 0.000 0.218 27 A C 1.708 179.322 177.584 0.049 0.000 1.154 27 A CA 1.369 53.474 52.037 0.114 0.000 0.679 27 A CB -0.410 18.634 19.000 0.075 0.000 0.795 27 A HN 0.662 nan 8.150 nan 0.000 0.458 28 E N -0.599 119.533 120.200 -0.112 0.000 2.482 28 E HA 0.074 4.425 4.350 0.001 0.000 0.196 28 E C 0.157 176.730 176.600 -0.046 0.000 1.047 28 E CA -0.242 56.120 56.400 -0.064 0.000 0.869 28 E CB -0.107 29.541 29.700 -0.087 0.000 0.836 28 E HN 0.624 nan 8.360 nan 0.000 0.520 29 M N 1.951 121.472 119.600 -0.132 0.000 2.248 29 M HA -0.001 4.480 4.480 0.001 0.000 0.345 29 M C 0.743 177.087 176.300 0.073 0.000 1.243 29 M CA 0.221 55.414 55.300 -0.179 0.000 1.090 29 M CB 0.544 32.678 32.600 -0.776 0.000 1.683 29 M HN 0.019 nan 8.290 nan 0.000 0.450 30 T N 0.627 115.215 114.554 0.057 0.000 2.766 30 T HA 0.202 4.553 4.350 0.001 0.000 0.295 30 T C -2.062 172.797 174.700 0.265 0.000 1.024 30 T CA -1.508 60.674 62.100 0.138 0.000 1.018 30 T CB 0.369 69.273 68.868 0.061 0.000 1.002 30 T HN 0.402 nan 8.240 nan 0.000 0.532 31 P HA -0.082 nan 4.420 nan 0.000 0.216 31 P C 1.707 179.194 177.300 0.312 0.000 1.153 31 P CA 1.040 64.315 63.100 0.291 0.000 0.858 31 P CB 0.036 31.842 31.700 0.175 0.000 0.789 32 R N -0.094 120.535 120.500 0.214 0.000 2.066 32 R HA -0.129 4.212 4.340 0.001 0.000 0.232 32 R C 2.335 178.770 176.300 0.225 0.000 1.131 32 R CA 1.501 57.739 56.100 0.231 0.000 0.955 32 R CB -0.577 29.798 30.300 0.126 0.000 0.851 32 R HN 0.156 nan 8.270 nan 0.000 0.432 33 Q N -0.881 118.955 119.800 0.061 0.000 2.135 33 Q HA -0.234 4.107 4.340 0.001 0.000 0.204 33 Q C 1.770 177.825 176.000 0.093 0.000 0.981 33 Q CA 1.996 57.757 55.803 -0.070 0.000 0.856 33 Q CB -0.206 28.399 28.738 -0.221 0.000 0.902 33 Q HN 0.474 nan 8.270 nan 0.000 0.425 34 W N -0.407 120.973 121.300 0.134 0.000 2.333 34 W HA -0.233 4.428 4.660 0.001 0.000 0.316 34 W C 2.100 178.695 176.519 0.125 0.000 1.215 34 W CA 0.913 58.330 57.345 0.120 0.000 1.278 34 W CB -0.499 29.026 29.460 0.110 0.000 1.154 34 W HN 0.333 nan 8.180 nan 0.000 0.486 35 W N 0.481 121.961 121.300 0.301 0.000 2.355 35 W HA -0.189 4.472 4.660 0.001 0.000 0.309 35 W C 1.949 178.542 176.519 0.125 0.000 1.206 35 W CA 1.955 59.423 57.345 0.205 0.000 1.284 35 W CB -0.783 28.779 29.460 0.170 0.000 1.145 35 W HN -0.206 nan 8.180 nan 0.000 0.502 36 L N 0.622 121.782 121.223 -0.105 0.000 2.017 36 L HA -0.192 4.149 4.340 0.001 0.000 0.208 36 L C 2.800 179.473 176.870 -0.328 0.000 1.073 36 L CA 1.648 56.248 54.840 -0.401 0.000 0.745 36 L CB -1.436 40.598 42.059 -0.042 0.000 0.894 36 L HN 0.115 nan 8.230 nan 0.000 0.432 37 A N -0.310 122.459 122.820 -0.085 0.000 1.877 37 A HA -0.200 4.121 4.320 0.001 0.000 0.216 37 A C 2.393 179.849 177.584 -0.213 0.000 1.186 37 A CA 1.985 53.932 52.037 -0.149 0.000 0.620 37 A CB -1.025 17.887 19.000 -0.146 0.000 0.822 37 A HN 0.312 nan 8.150 nan 0.000 0.443 38 V N -0.772 119.084 119.914 -0.098 0.000 2.427 38 V HA -0.145 3.976 4.120 0.001 0.000 0.248 38 V C 2.159 178.152 176.094 -0.167 0.000 1.051 38 V CA 2.898 65.190 62.300 -0.013 0.000 1.048 38 V CB -0.689 31.296 31.823 0.271 0.000 0.666 38 V HN 0.446 nan 8.190 nan 0.000 0.456 39 S N 0.171 115.593 115.700 -0.464 0.000 2.368 39 S HA -0.146 4.325 4.470 0.001 0.000 0.224 39 S C 1.876 175.924 174.600 -0.919 0.000 1.029 39 S CA 1.744 59.485 58.200 -0.764 0.000 0.988 39 S CB -0.390 62.148 63.200 -1.104 0.000 0.838 39 S HN 0.767 nan 8.310 nan 0.000 0.462 40 E N 1.388 121.185 120.200 -0.672 0.000 2.106 40 E HA -0.082 4.269 4.350 0.001 0.000 0.192 40 E C 2.433 178.798 176.600 -0.392 0.000 0.984 40 E CA 0.959 57.042 56.400 -0.528 0.000 0.806 40 E CB -0.288 29.192 29.700 -0.367 0.000 0.750 40 E HN 0.500 nan 8.360 nan 0.000 0.458 41 A N 1.555 124.180 122.820 -0.324 0.000 1.883 41 A HA -0.185 4.136 4.320 0.001 0.000 0.217 41 A C 2.270 179.807 177.584 -0.079 0.000 1.186 41 A CA 1.229 53.124 52.037 -0.236 0.000 0.624 41 A CB -0.768 18.031 19.000 -0.334 0.000 0.822 41 A HN 0.139 nan 8.150 nan 0.000 0.444 42 L N -0.877 120.330 121.223 -0.025 0.000 2.083 42 L HA -0.173 4.168 4.340 0.001 0.000 0.209 42 L C 3.061 179.953 176.870 0.037 0.000 1.083 42 L CA 0.935 55.883 54.840 0.180 0.000 0.752 42 L CB -0.531 41.712 42.059 0.306 0.000 0.899 42 L HN 0.444 nan 8.230 nan 0.000 0.433 43 A N 0.018 122.606 122.820 -0.386 0.000 1.902 43 A HA -0.212 4.109 4.320 0.001 0.000 0.217 43 A C 2.181 179.749 177.584 -0.026 0.000 1.181 43 A CA 1.583 53.479 52.037 -0.236 0.000 0.623 43 A CB -0.403 18.318 19.000 -0.464 0.000 0.818 43 A HN 0.442 nan 8.150 nan 0.000 0.443 44 E N -0.466 119.688 120.200 -0.077 0.000 2.058 44 E HA -0.232 4.119 4.350 0.001 0.000 0.194 44 E C 2.122 178.749 176.600 0.045 0.000 0.997 44 E CA 1.690 58.070 56.400 -0.033 0.000 0.801 44 E CB -0.349 29.299 29.700 -0.087 0.000 0.746 44 E HN 0.675 nan 8.360 nan 0.000 0.450 45 M N 0.276 119.939 119.600 0.104 0.000 2.108 45 M HA -0.190 4.291 4.480 0.001 0.000 0.261 45 M C 2.471 178.934 176.300 0.272 0.000 1.066 45 M CA 1.074 56.498 55.300 0.206 0.000 1.107 45 M CB -0.329 32.470 32.600 0.330 0.000 1.356 45 M HN 0.126 nan 8.290 nan 0.000 0.406 46 L N 0.646 122.032 121.223 0.271 0.000 2.017 46 L HA -0.174 4.167 4.340 0.001 0.000 0.208 46 L C 2.385 179.339 176.870 0.139 0.000 1.073 46 L CA 1.946 56.903 54.840 0.195 0.000 0.745 46 L CB -0.511 41.681 42.059 0.222 0.000 0.894 46 L HN 0.155 nan 8.230 nan 0.000 0.432 47 R N -0.674 119.897 120.500 0.119 0.000 2.237 47 R HA 0.021 4.362 4.340 0.001 0.000 0.219 47 R C 1.847 178.187 176.300 0.067 0.000 1.080 47 R CA 0.795 56.945 56.100 0.083 0.000 0.995 47 R CB -0.407 29.927 30.300 0.058 0.000 0.875 47 R HN 0.491 nan 8.270 nan 0.000 0.462 48 A N 0.676 123.540 122.820 0.074 0.000 2.251 48 A HA 0.029 4.350 4.320 0.001 0.000 0.209 48 A C 0.411 178.039 177.584 0.072 0.000 1.187 48 A CA 0.060 52.130 52.037 0.055 0.000 0.823 48 A CB 0.181 19.203 19.000 0.037 0.000 0.846 48 A HN 0.076 nan 8.150 nan 0.000 0.486 49 Q N 1.191 121.050 119.800 0.098 0.000 2.394 49 Q HA 0.293 4.634 4.340 0.001 0.000 0.248 49 Q C -2.256 173.798 176.000 0.090 0.000 0.992 49 Q CA -1.564 54.300 55.803 0.101 0.000 0.888 49 Q CB 0.111 28.911 28.738 0.104 0.000 1.257 49 Q HN 0.324 nan 8.270 nan 0.000 0.462 50 P HA 0.102 nan 4.420 nan 0.000 0.275 50 P C -0.628 176.742 177.300 0.117 0.000 1.228 50 P CA -0.412 62.745 63.100 0.095 0.000 0.786 50 P CB 0.353 32.092 31.700 0.066 0.000 0.927 51 F N 2.438 122.389 119.950 0.002 0.000 2.533 51 F HA 0.329 4.857 4.527 0.001 0.000 0.378 51 F C 0.159 175.957 175.800 -0.002 0.000 1.070 51 F CA -0.603 57.395 58.000 -0.002 0.000 1.172 51 F CB -0.078 38.918 39.000 -0.005 0.000 1.085 51 F HN 0.402 nan 8.300 nan 0.000 0.552 52 A N 7.882 130.350 122.820 -0.586 0.000 2.302 52 A HA 0.373 4.694 4.320 0.001 0.000 0.295 52 A C -0.235 176.771 177.584 -0.964 0.000 1.235 52 A CA -0.871 50.838 52.037 -0.547 0.000 0.876 52 A CB -0.047 18.768 19.000 -0.308 0.000 1.133 52 A HN 0.808 nan 8.150 nan 0.000 0.533 53 K N 3.899 123.886 120.400 -0.688 0.000 2.237 53 K HA 0.499 4.820 4.320 0.001 0.000 0.270 53 K C -2.434 174.020 176.600 -0.244 0.000 1.015 53 K CA -1.169 54.816 56.287 -0.504 0.000 0.949 53 K CB 0.381 32.849 32.500 -0.054 0.000 0.976 53 K HN 0.426 nan 8.250 nan 0.000 0.472 54 P HA 0.018 nan 4.420 nan 0.000 0.275 54 P C -0.354 176.945 177.300 -0.002 0.000 1.266 54 P CA -0.686 62.392 63.100 -0.036 0.000 0.793 54 P CB 0.385 32.106 31.700 0.035 0.000 1.074 55 V N 0.172 120.089 119.914 0.005 0.000 2.694 55 V HA 0.163 4.283 4.120 0.001 0.000 0.306 55 V C 1.132 177.248 176.094 0.036 0.000 1.054 55 V CA 0.220 62.529 62.300 0.015 0.000 1.161 55 V CB -0.286 31.546 31.823 0.016 0.000 0.916 55 V HN 0.787 nan 8.190 nan 0.000 0.490 56 A N 3.773 126.613 122.820 0.033 0.000 2.272 56 A HA 0.444 4.765 4.320 0.001 0.000 0.275 56 A C 0.781 178.387 177.584 0.038 0.000 1.096 56 A CA -0.093 51.971 52.037 0.044 0.000 0.822 56 A CB -0.402 18.620 19.000 0.038 0.000 1.088 56 A HN 1.122 nan 8.150 nan 0.000 0.495 57 N N -0.795 117.929 118.700 0.041 0.000 2.714 57 N HA -0.209 4.531 4.740 0.001 0.000 0.252 57 N C -0.327 175.188 175.510 0.007 0.000 1.014 57 N CA 1.216 54.276 53.050 0.017 0.000 0.735 57 N CB -1.189 37.300 38.487 0.004 0.000 0.924 57 N HN 0.842 nan 8.380 nan 0.000 0.540 58 Q N -1.112 118.707 119.800 0.031 0.000 2.456 58 Q HA 0.497 4.838 4.340 0.001 0.000 0.283 58 Q C -0.869 175.161 176.000 0.051 0.000 1.084 58 Q CA -1.200 54.622 55.803 0.031 0.000 0.801 58 Q CB 1.802 30.569 28.738 0.048 0.000 1.434 58 Q HN 0.109 nan 8.270 nan 0.000 0.419 59 R N 0.868 121.394 120.500 0.043 0.000 2.643 59 R HA 0.133 4.474 4.340 0.001 0.000 0.270 59 R C -0.321 176.042 176.300 0.105 0.000 1.061 59 R CA -0.314 55.828 56.100 0.071 0.000 1.107 59 R CB 0.208 30.538 30.300 0.049 0.000 0.999 59 R HN 0.620 nan 8.270 nan 0.000 0.460 60 H N 0.765 119.854 119.070 0.031 0.000 2.610 60 H HA 0.202 4.758 4.556 0.001 0.000 0.336 60 H C -0.761 174.516 175.328 -0.085 0.000 1.087 60 H CA -0.339 55.707 56.048 -0.004 0.000 1.405 60 H CB 0.870 30.656 29.762 0.040 0.000 1.460 60 H HN 0.155 nan 8.280 nan 0.000 0.538 61 V N 5.961 125.601 119.914 -0.456 0.000 2.394 61 V HA 0.148 4.269 4.120 0.001 0.000 0.282 61 V C -0.239 175.664 176.094 -0.319 0.000 1.031 61 V CA -0.820 61.169 62.300 -0.518 0.000 0.881 61 V CB 1.143 32.406 31.823 -0.933 0.000 0.982 61 V HN 0.851 nan 8.190 nan 0.000 0.451 62 N N 4.294 122.953 118.700 -0.068 0.000 2.501 62 N HA 0.240 4.981 4.740 0.001 0.000 0.245 62 N C -1.220 174.423 175.510 0.222 0.000 0.974 62 N CA -0.312 52.859 53.050 0.202 0.000 0.941 62 N CB 1.650 40.350 38.487 0.354 0.000 1.122 62 N HN 0.699 nan 8.380 nan 0.000 0.507 63 Y N 3.276 123.653 120.300 0.128 0.000 2.504 63 Y HA 0.394 4.944 4.550 0.001 0.000 0.339 63 Y C -0.142 175.985 175.900 0.377 0.000 0.974 63 Y CA -0.630 57.583 58.100 0.189 0.000 1.232 63 Y CB 0.402 38.943 38.460 0.135 0.000 1.108 63 Y HN 0.382 nan 8.280 nan 0.000 0.509 64 I N 5.240 125.886 120.570 0.127 0.000 2.304 64 I HA 0.298 4.469 4.170 0.001 0.000 0.291 64 I C -0.098 176.081 176.117 0.104 0.000 1.018 64 I CA -0.320 61.133 61.300 0.254 0.000 1.260 64 I CB 1.024 39.161 38.000 0.228 0.000 1.390 64 I HN 0.471 nan 8.210 nan 0.000 0.475 65 S N 6.066 121.898 115.700 0.219 0.000 2.540 65 S HA 0.438 4.909 4.470 0.001 0.000 0.275 65 S C 0.581 175.295 174.600 0.190 0.000 1.123 65 S CA -0.737 57.482 58.200 0.031 0.000 0.907 65 S CB 1.849 64.810 63.200 -0.399 0.000 1.081 65 S HN 0.658 nan 8.310 nan 0.000 0.476 66 M N 2.235 121.972 119.600 0.228 0.000 2.460 66 M HA 0.023 4.504 4.480 0.001 0.000 0.263 66 M C 0.369 176.786 176.300 0.196 0.000 1.071 66 M CA 1.116 56.552 55.300 0.226 0.000 1.096 66 M CB -0.426 32.232 32.600 0.095 0.000 1.408 66 M HN 0.728 nan 8.290 nan 0.000 0.463 67 E N -0.672 119.552 120.200 0.040 0.000 2.314 67 E HA 0.508 4.859 4.350 0.001 0.000 0.272 67 E C -1.393 175.095 176.600 -0.187 0.000 0.884 67 E CA -0.709 55.705 56.400 0.024 0.000 0.753 67 E CB 1.498 31.171 29.700 -0.044 0.000 1.213 67 E HN -0.028 nan 8.360 nan 0.000 0.432 68 F N 2.110 122.095 119.950 0.059 0.000 2.716 68 F HA 0.249 4.777 4.527 0.001 0.000 0.354 68 F C -0.710 175.067 175.800 -0.038 0.000 1.168 68 F CA -0.840 57.176 58.000 0.027 0.000 1.045 68 F CB 1.654 40.670 39.000 0.027 0.000 1.311 68 F HN 0.429 nan 8.300 nan 0.000 0.477 69 L N 5.943 127.207 121.223 0.067 0.000 2.423 69 L HA 0.311 4.652 4.340 0.001 0.000 0.249 69 L C 1.288 178.165 176.870 0.012 0.000 1.276 69 L CA 0.371 55.212 54.840 0.001 0.000 1.199 69 L CB -0.606 41.444 42.059 -0.014 0.000 1.407 69 L HN 0.662 nan 8.230 nan 0.000 0.410 70 I N -0.620 119.941 120.570 -0.015 0.000 2.546 70 I HA 0.279 4.450 4.170 0.001 0.000 0.255 70 I C 1.317 177.382 176.117 -0.087 0.000 1.163 70 I CA 0.497 61.774 61.300 -0.038 0.000 1.457 70 I CB -0.918 37.038 38.000 -0.073 0.000 1.092 70 I HN 0.540 nan 8.210 nan 0.000 0.434 71 G N 1.532 110.264 108.800 -0.114 0.000 2.796 71 G HA2 -0.260 3.701 3.960 0.001 0.000 0.226 71 G HA3 -0.260 3.701 3.960 0.001 0.000 0.226 71 G C -0.316 174.527 174.900 -0.094 0.000 1.381 71 G CA -0.256 44.773 45.100 -0.119 0.000 0.867 71 G HN 0.573 nan 8.290 nan 0.000 0.552 72 R N -0.731 119.737 120.500 -0.054 0.000 2.585 72 R HA 0.253 4.594 4.340 0.001 0.000 0.275 72 R C 1.037 177.359 176.300 0.038 0.000 1.018 72 R CA -0.340 55.788 56.100 0.047 0.000 1.072 72 R CB 0.219 30.552 30.300 0.055 0.000 0.953 72 R HN 0.332 nan 8.270 nan 0.000 0.419 73 L N 2.059 123.361 121.223 0.132 0.000 2.470 73 L HA 0.033 4.374 4.340 0.001 0.000 0.219 73 L C 1.927 178.753 176.870 -0.072 0.000 1.071 73 L CA 1.443 56.240 54.840 -0.071 0.000 0.850 73 L CB -0.290 41.626 42.059 -0.238 0.000 1.040 73 L HN 0.694 nan 8.230 nan 0.000 0.475 74 T N -0.625 114.103 114.554 0.291 0.000 2.708 74 T HA -0.117 4.234 4.350 0.001 0.000 0.266 74 T C 1.781 176.641 174.700 0.266 0.000 1.037 74 T CA 1.466 63.840 62.100 0.456 0.000 1.146 74 T CB -0.509 68.773 68.868 0.690 0.000 0.865 74 T HN 0.458 nan 8.240 nan 0.000 0.435 75 G N 1.356 110.300 108.800 0.240 0.000 2.421 75 G HA2 -0.290 3.671 3.960 0.001 0.000 0.216 75 G HA3 -0.290 3.671 3.960 0.001 0.000 0.216 75 G C 1.500 176.500 174.900 0.166 0.000 1.171 75 G CA 1.228 46.483 45.100 0.258 0.000 0.775 75 G HN 0.556 nan 8.290 nan 0.000 0.543 76 N N 1.027 119.747 118.700 0.033 0.000 2.104 76 N HA -0.144 4.597 4.740 0.001 0.000 0.190 76 N C 1.993 177.453 175.510 -0.083 0.000 1.024 76 N CA 1.792 54.809 53.050 -0.055 0.000 0.853 76 N CB -0.234 38.177 38.487 -0.127 0.000 1.008 76 N HN 0.188 nan 8.380 nan 0.000 0.424 77 N N 0.106 118.717 118.700 -0.149 0.000 2.142 77 N HA -0.061 4.680 4.740 0.001 0.000 0.186 77 N C 1.638 177.078 175.510 -0.115 0.000 1.023 77 N CA 0.756 53.664 53.050 -0.237 0.000 0.852 77 N CB -0.372 37.794 38.487 -0.536 0.000 0.998 77 N HN 0.317 nan 8.380 nan 0.000 0.424 78 L N 0.336 121.583 121.223 0.040 0.000 2.017 78 L HA -0.118 4.223 4.340 0.001 0.000 0.208 78 L C 2.319 179.248 176.870 0.099 0.000 1.073 78 L CA 0.755 55.665 54.840 0.118 0.000 0.745 78 L CB -0.427 41.752 42.059 0.200 0.000 0.894 78 L HN 0.158 nan 8.230 nan 0.000 0.432 79 L N -0.145 121.154 121.223 0.125 0.000 2.046 79 L HA -0.222 4.118 4.340 0.001 0.000 0.208 79 L C 2.256 179.123 176.870 -0.005 0.000 1.077 79 L CA 1.628 56.508 54.840 0.068 0.000 0.747 79 L CB -0.340 41.739 42.059 0.033 0.000 0.896 79 L HN 0.269 nan 8.230 nan 0.000 0.432 80 N N -0.217 118.456 118.700 -0.044 0.000 2.188 80 N HA -0.111 4.629 4.740 0.001 0.000 0.184 80 N C 1.805 177.149 175.510 -0.275 0.000 1.018 80 N CA 1.435 54.430 53.050 -0.092 0.000 0.858 80 N CB -0.349 38.099 38.487 -0.066 0.000 0.989 80 N HN 0.344 nan 8.380 nan 0.000 0.426 81 L N -0.615 120.406 121.223 -0.336 0.000 2.275 81 L HA 0.042 4.383 4.340 0.001 0.000 0.215 81 L C 1.187 177.839 176.870 -0.362 0.000 1.119 81 L CA 0.754 55.262 54.840 -0.553 0.000 0.790 81 L CB -0.492 40.868 42.059 -1.165 0.000 0.919 81 L HN 0.284 nan 8.230 nan 0.000 0.443 82 G N -1.880 106.823 108.800 -0.162 0.000 2.149 82 G HA2 -0.241 3.720 3.960 0.001 0.000 0.235 82 G HA3 -0.241 3.720 3.960 0.001 0.000 0.235 82 G C 0.071 175.118 174.900 0.246 0.000 1.018 82 G CA 0.031 45.134 45.100 0.006 0.000 0.728 82 G HN 0.341 nan 8.290 nan 0.000 0.508 83 W N -1.047 120.224 121.300 -0.048 0.000 3.127 83 W HA 0.408 5.068 4.660 0.001 0.000 0.344 83 W C 1.647 178.033 176.519 -0.221 0.000 1.151 83 W CA -0.733 56.512 57.345 -0.167 0.000 1.765 83 W CB -0.864 28.534 29.460 -0.104 0.000 1.085 83 W HN 0.346 nan 8.180 nan 0.000 0.596 84 Y N 2.082 122.398 120.300 0.027 0.000 2.030 84 Y HA -0.398 4.153 4.550 0.001 0.000 0.274 84 Y C 2.776 178.611 175.900 -0.107 0.000 1.153 84 Y CA 3.079 61.161 58.100 -0.030 0.000 1.115 84 Y CB -0.644 37.813 38.460 -0.005 0.000 0.969 84 Y HN 0.011 nan 8.280 nan 0.000 0.488 85 Q N 0.309 120.201 119.800 0.152 0.000 2.124 85 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 85 Q C 1.767 177.670 176.000 -0.162 0.000 0.977 85 Q CA 2.180 58.008 55.803 0.041 0.000 0.850 85 Q CB -0.365 28.400 28.738 0.046 0.000 0.901 85 Q HN 0.493 nan 8.270 nan 0.000 0.429 86 D N -0.768 119.441 120.400 -0.318 0.000 2.097 86 D HA -0.141 4.500 4.640 0.001 0.000 0.195 86 D C 1.877 177.707 176.300 -0.784 0.000 0.989 86 D CA 1.504 55.141 54.000 -0.605 0.000 0.827 86 D CB -0.096 40.048 40.800 -1.094 0.000 0.966 86 D HN 0.192 nan 8.370 nan 0.000 0.456 87 V N 0.883 120.289 119.914 -0.848 0.000 2.343 87 V HA -0.258 3.863 4.120 0.001 0.000 0.247 87 V C 2.639 178.499 176.094 -0.389 0.000 1.051 87 V CA 1.658 63.526 62.300 -0.721 0.000 1.036 87 V CB -0.521 30.961 31.823 -0.569 0.000 0.654 87 V HN 0.180 nan 8.190 nan 0.000 0.451 88 Q N -0.078 119.534 119.800 -0.313 0.000 2.045 88 Q HA -0.279 4.062 4.340 0.001 0.000 0.206 88 Q C 1.999 177.938 176.000 -0.100 0.000 0.991 88 Q CA 2.420 58.121 55.803 -0.171 0.000 0.851 88 Q CB -0.177 28.499 28.738 -0.104 0.000 0.911 88 Q HN 0.644 nan 8.270 nan 0.000 0.418 89 D N -0.345 119.985 120.400 -0.116 0.000 2.092 89 D HA -0.134 4.507 4.640 0.001 0.000 0.193 89 D C 2.048 178.344 176.300 -0.007 0.000 0.994 89 D CA 1.613 55.579 54.000 -0.057 0.000 0.828 89 D CB -0.418 40.346 40.800 -0.060 0.000 0.963 89 D HN 0.174 nan 8.370 nan 0.000 0.450 90 S N 0.042 115.732 115.700 -0.017 0.000 2.440 90 S HA -0.056 4.415 4.470 0.001 0.000 0.238 90 S C 2.004 176.782 174.600 0.298 0.000 1.010 90 S CA 0.440 58.731 58.200 0.152 0.000 0.972 90 S CB -0.065 63.250 63.200 0.192 0.000 0.774 90 S HN 0.264 nan 8.310 nan 0.000 0.501 91 L N 1.410 122.754 121.223 0.202 0.000 2.509 91 L HA 0.073 4.414 4.340 0.001 0.000 0.222 91 L C 2.390 179.372 176.870 0.186 0.000 1.123 91 L CA 0.376 55.396 54.840 0.300 0.000 0.856 91 L CB -0.279 41.855 42.059 0.126 0.000 0.985 91 L HN 0.349 nan 8.230 nan 0.000 0.456 92 K N 1.017 121.465 120.400 0.081 0.000 2.147 92 K HA -0.132 4.189 4.320 0.001 0.000 0.205 92 K C 1.853 178.451 176.600 -0.003 0.000 1.049 92 K CA 1.496 57.796 56.287 0.022 0.000 0.936 92 K CB -0.304 32.198 32.500 0.003 0.000 0.722 92 K HN 0.176 nan 8.250 nan 0.000 0.446 93 A N 0.565 123.360 122.820 -0.041 0.000 2.119 93 A HA -0.050 4.271 4.320 0.001 0.000 0.217 93 A C 0.947 178.366 177.584 -0.274 0.000 1.153 93 A CA 0.575 52.501 52.037 -0.184 0.000 0.692 93 A CB -0.526 18.298 19.000 -0.293 0.000 0.799 93 A HN 0.458 nan 8.150 nan 0.000 0.458 94 Y N -0.249 120.070 120.300 0.032 0.000 2.457 94 Y HA 0.135 4.686 4.550 0.001 0.000 0.263 94 Y C 0.176 176.018 175.900 -0.096 0.000 1.164 94 Y CA -0.263 57.847 58.100 0.017 0.000 1.274 94 Y CB 0.229 38.730 38.460 0.069 0.000 1.097 94 Y HN 0.338 nan 8.280 nan 0.000 0.523 95 D N 0.168 120.579 120.400 0.018 0.000 2.870 95 D HA -0.169 4.471 4.640 0.001 0.000 0.228 95 D C -0.631 175.595 176.300 -0.123 0.000 1.147 95 D CA 0.620 54.596 54.000 -0.040 0.000 0.757 95 D CB -1.040 39.745 40.800 -0.026 0.000 1.091 95 D HN 0.170 nan 8.370 nan 0.000 0.429 96 I N 1.099 121.571 120.570 -0.164 0.000 2.377 96 I HA 0.187 4.357 4.170 0.001 0.000 0.293 96 I C 0.796 176.829 176.117 -0.139 0.000 0.987 96 I CA -0.581 60.551 61.300 -0.280 0.000 1.185 96 I CB 1.380 39.060 38.000 -0.533 0.000 1.341 96 I HN -0.093 nan 8.210 nan 0.000 0.455 97 N N 4.591 123.227 118.700 -0.106 0.000 2.414 97 N HA 0.159 4.899 4.740 0.001 0.000 0.256 97 N C 0.939 176.432 175.510 -0.028 0.000 1.029 97 N CA -0.493 52.530 53.050 -0.044 0.000 0.948 97 N CB 0.999 39.475 38.487 -0.018 0.000 1.102 97 N HN 0.513 nan 8.380 nan 0.000 0.496 98 L N 3.681 124.887 121.223 -0.029 0.000 2.017 98 L HA -0.111 4.229 4.340 0.001 0.000 0.208 98 L C 1.836 178.728 176.870 0.036 0.000 1.073 98 L CA 2.004 56.820 54.840 -0.040 0.000 0.745 98 L CB -1.026 40.925 42.059 -0.179 0.000 0.894 98 L HN 0.673 nan 8.230 nan 0.000 0.432 99 T N -0.237 114.369 114.554 0.087 0.000 2.665 99 T HA -0.192 4.159 4.350 0.001 0.000 0.268 99 T C 1.480 176.240 174.700 0.099 0.000 1.035 99 T CA 1.727 63.909 62.100 0.136 0.000 1.151 99 T CB -0.393 68.554 68.868 0.132 0.000 0.862 99 T HN 0.419 nan 8.240 nan 0.000 0.438 100 D N 0.787 121.228 120.400 0.069 0.000 2.117 100 D HA -0.034 4.607 4.640 0.001 0.000 0.197 100 D C 2.034 178.382 176.300 0.080 0.000 0.987 100 D CA 0.458 54.495 54.000 0.062 0.000 0.829 100 D CB -0.570 40.253 40.800 0.038 0.000 0.961 100 D HN 0.156 nan 8.370 nan 0.000 0.460 101 L N 0.937 122.214 121.223 0.090 0.000 2.012 101 L HA -0.141 4.199 4.340 0.001 0.000 0.210 101 L C 2.145 179.161 176.870 0.243 0.000 1.073 101 L CA 1.449 56.388 54.840 0.164 0.000 0.748 101 L CB -0.811 41.346 42.059 0.162 0.000 0.891 101 L HN 0.040 nan 8.230 nan 0.000 0.431 102 L N -0.512 120.847 121.223 0.226 0.000 2.129 102 L HA -0.212 4.128 4.340 0.001 0.000 0.212 102 L C 2.421 179.342 176.870 0.085 0.000 1.087 102 L CA 1.143 56.131 54.840 0.247 0.000 0.757 102 L CB -0.764 41.426 42.059 0.218 0.000 0.896 102 L HN 0.357 nan 8.230 nan 0.000 0.434 103 E N -0.039 120.196 120.200 0.058 0.000 2.401 103 E HA -0.173 4.178 4.350 0.001 0.000 0.199 103 E C 1.789 178.355 176.600 -0.058 0.000 1.023 103 E CA 0.541 56.947 56.400 0.010 0.000 0.859 103 E CB -0.064 29.664 29.700 0.048 0.000 0.780 103 E HN 0.503 nan 8.360 nan 0.000 0.523 104 E N 0.942 121.085 120.200 -0.095 0.000 2.338 104 E HA -0.093 4.258 4.350 0.001 0.000 0.197 104 E C 0.619 176.902 176.600 -0.529 0.000 1.007 104 E CA 0.233 56.520 56.400 -0.189 0.000 0.849 104 E CB -0.088 29.596 29.700 -0.027 0.000 0.774 104 E HN 0.381 nan 8.360 nan 0.000 0.506 105 E N 1.004 120.734 120.200 -0.783 0.000 2.299 105 E HA 0.090 4.441 4.350 0.001 0.000 0.272 105 E C -0.398 176.019 176.600 -0.305 0.000 1.043 105 E CA -0.182 55.689 56.400 -0.881 0.000 0.895 105 E CB 0.396 29.751 29.700 -0.575 0.000 1.011 105 E HN -0.006 nan 8.360 nan 0.000 0.432 106 I N 4.783 125.250 120.570 -0.173 0.000 2.396 106 I HA 0.010 4.181 4.170 0.001 0.000 0.289 106 I C -0.038 176.095 176.117 0.027 0.000 1.056 106 I CA -0.573 60.718 61.300 -0.015 0.000 1.365 106 I CB 0.688 38.723 38.000 0.059 0.000 1.407 106 I HN 0.511 nan 8.210 nan 0.000 0.509 107 D N 8.944 129.324 120.400 -0.034 0.000 2.583 107 D HA 0.007 4.648 4.640 0.001 0.000 0.232 107 D C -2.276 173.888 176.300 -0.226 0.000 1.128 107 D CA -0.468 53.473 54.000 -0.098 0.000 0.859 107 D CB -0.002 40.718 40.800 -0.135 0.000 1.169 107 D HN 0.226 nan 8.370 nan 0.000 0.481 108 P HA 0.083 nan 4.420 nan 0.000 0.261 108 P C -0.757 175.928 177.300 -1.024 0.000 1.183 108 P CA 0.051 62.450 63.100 -1.170 0.000 0.761 108 P CB 0.520 31.506 31.700 -1.190 0.000 0.785 109 A N 4.566 126.535 122.820 -1.420 0.000 3.056 109 A HA 0.232 4.552 4.320 0.001 0.000 0.274 109 A C 0.529 177.852 177.584 -0.436 0.000 1.661 109 A CA 0.012 51.649 52.037 -0.667 0.000 1.363 109 A CB -1.106 17.691 19.000 -0.339 0.000 1.139 109 A HN 0.596 nan 8.150 nan 0.000 0.598 110 L N 0.616 121.643 121.223 -0.327 0.000 3.184 110 L HA 0.412 4.753 4.340 0.001 0.000 0.283 110 L C 0.877 177.751 176.870 0.007 0.000 1.218 110 L CA 0.139 54.947 54.840 -0.052 0.000 1.028 110 L CB 0.632 42.640 42.059 -0.085 0.000 1.400 110 L HN 0.635 nan 8.230 nan 0.000 0.591 111 G N -0.970 107.767 108.800 -0.104 0.000 2.649 111 G HA2 0.235 4.195 3.960 0.001 0.000 0.290 111 G HA3 0.235 4.195 3.960 0.001 0.000 0.290 111 G C -0.635 174.207 174.900 -0.096 0.000 1.426 111 G CA -0.177 44.872 45.100 -0.085 0.000 0.794 111 G HN -0.152 nan 8.290 nan 0.000 0.483 112 N N -1.547 117.143 118.700 -0.016 0.000 2.765 112 N HA 0.430 5.171 4.740 0.001 0.000 0.230 112 N C 1.070 176.609 175.510 0.048 0.000 1.022 112 N CA 1.557 54.638 53.050 0.053 0.000 1.106 112 N CB 0.627 39.277 38.487 0.271 0.000 1.527 112 N HN 0.943 nan 8.380 nan 0.000 0.507 113 G N -1.526 107.315 108.800 0.069 0.000 3.000 113 G HA2 0.350 4.311 3.960 0.001 0.000 0.170 113 G HA3 0.350 4.311 3.960 0.001 0.000 0.170 113 G C 0.624 175.540 174.900 0.027 0.000 1.160 113 G CA 0.144 45.282 45.100 0.063 0.000 0.945 113 G HN 0.325 nan 8.290 nan 0.000 0.593 114 G N 0.015 108.829 108.800 0.023 0.000 2.442 114 G HA2 -0.048 3.913 3.960 0.001 0.000 0.219 114 G HA3 -0.048 3.913 3.960 0.001 0.000 0.219 114 G C 1.782 176.642 174.900 -0.066 0.000 1.141 114 G CA 1.672 46.762 45.100 -0.017 0.000 0.763 114 G HN 0.610 nan 8.290 nan 0.000 0.554 115 L N 1.477 122.652 121.223 -0.080 0.000 2.027 115 L HA 0.216 4.556 4.340 0.001 0.000 0.206 115 L C 2.721 179.483 176.870 -0.180 0.000 1.074 115 L CA 2.433 57.149 54.840 -0.207 0.000 0.745 115 L CB -1.083 40.840 42.059 -0.226 0.000 0.898 115 L HN 0.129 nan 8.230 nan 0.000 0.433 116 G N -0.854 107.888 108.800 -0.098 0.000 2.421 116 G HA2 -0.326 3.634 3.960 0.001 0.000 0.216 116 G HA3 -0.326 3.634 3.960 0.001 0.000 0.216 116 G C 1.746 176.597 174.900 -0.082 0.000 1.171 116 G CA 0.794 45.831 45.100 -0.105 0.000 0.775 116 G HN 0.345 nan 8.290 nan 0.000 0.543 117 R N 0.220 120.693 120.500 -0.044 0.000 2.115 117 R HA 0.165 4.505 4.340 0.001 0.000 0.230 117 R C 2.413 178.686 176.300 -0.046 0.000 1.111 117 R CA 0.660 56.764 56.100 0.007 0.000 0.976 117 R CB -0.875 29.448 30.300 0.038 0.000 0.870 117 R HN 0.376 nan 8.270 nan 0.000 0.445 118 L N -0.396 120.726 121.223 -0.168 0.000 2.017 118 L HA -0.106 4.235 4.340 0.001 0.000 0.208 118 L C 1.973 178.568 176.870 -0.458 0.000 1.073 118 L CA 1.865 56.473 54.840 -0.388 0.000 0.745 118 L CB -0.787 41.001 42.059 -0.453 0.000 0.894 118 L HN 0.345 nan 8.230 nan 0.000 0.432 119 A N -0.150 122.509 122.820 -0.267 0.000 1.917 119 A HA -0.243 4.078 4.320 0.001 0.000 0.219 119 A C 2.430 180.039 177.584 0.040 0.000 1.182 119 A CA 1.980 53.928 52.037 -0.150 0.000 0.633 119 A CB -0.755 18.030 19.000 -0.358 0.000 0.819 119 A HN 0.562 nan 8.150 nan 0.000 0.448 120 A N -1.177 121.698 122.820 0.091 0.000 1.898 120 A HA -0.150 4.171 4.320 0.001 0.000 0.216 120 A C 2.304 179.961 177.584 0.121 0.000 1.181 120 A CA 1.641 53.773 52.037 0.159 0.000 0.620 120 A CB -1.253 17.824 19.000 0.128 0.000 0.819 120 A HN 0.613 nan 8.150 nan 0.000 0.442 121 C N -1.457 117.914 119.300 0.119 0.000 2.422 121 C HA -0.035 4.426 4.460 0.001 0.000 0.279 121 C C 2.410 177.571 174.990 0.285 0.000 1.305 121 C CA 0.492 59.629 59.018 0.197 0.000 1.757 121 C CB -1.573 26.305 27.740 0.230 0.000 1.962 121 C HN 0.598 nan 8.230 nan 0.000 0.499 122 F N 1.019 120.957 119.950 -0.020 0.000 2.163 122 F HA 0.021 4.549 4.527 0.001 0.000 0.297 122 F C 2.232 177.965 175.800 -0.111 0.000 1.094 122 F CA 0.856 58.795 58.000 -0.101 0.000 1.290 122 F CB -1.359 37.449 39.000 -0.319 0.000 1.017 122 F HN 0.166 nan 8.300 nan 0.000 0.483 123 L N -0.292 120.988 121.223 0.096 0.000 2.012 123 L HA -0.264 4.077 4.340 0.001 0.000 0.210 123 L C 2.429 179.310 176.870 0.017 0.000 1.073 123 L CA 1.979 56.835 54.840 0.027 0.000 0.748 123 L CB -0.809 41.278 42.059 0.046 0.000 0.891 123 L HN 0.176 nan 8.230 nan 0.000 0.431 124 D N -0.143 120.282 120.400 0.042 0.000 2.116 124 D HA -0.193 4.448 4.640 0.001 0.000 0.193 124 D C 2.057 178.373 176.300 0.027 0.000 0.998 124 D CA 1.915 55.927 54.000 0.020 0.000 0.836 124 D CB 0.289 41.105 40.800 0.027 0.000 0.951 124 D HN 0.255 nan 8.370 nan 0.000 0.449 125 S N -0.066 115.672 115.700 0.062 0.000 2.368 125 S HA -0.103 4.368 4.470 0.001 0.000 0.224 125 S C 2.157 176.765 174.600 0.013 0.000 1.029 125 S CA 0.901 59.128 58.200 0.045 0.000 0.988 125 S CB -0.151 63.091 63.200 0.070 0.000 0.838 125 S HN 0.356 nan 8.310 nan 0.000 0.462 126 M N 1.061 120.659 119.600 -0.003 0.000 2.117 126 M HA -0.111 4.370 4.480 0.001 0.000 0.262 126 M C 2.496 178.775 176.300 -0.035 0.000 1.065 126 M CA 1.469 56.752 55.300 -0.028 0.000 1.114 126 M CB -0.610 31.942 32.600 -0.080 0.000 1.361 126 M HN 0.401 nan 8.290 nan 0.000 0.408 127 A N -0.338 122.459 122.820 -0.037 0.000 1.930 127 A HA -0.121 4.200 4.320 0.001 0.000 0.217 127 A C 2.178 179.745 177.584 -0.028 0.000 1.175 127 A CA 2.020 54.031 52.037 -0.042 0.000 0.627 127 A CB -1.007 17.963 19.000 -0.049 0.000 0.815 127 A HN 0.420 nan 8.150 nan 0.000 0.443 128 T N -0.412 114.138 114.554 -0.006 0.000 2.867 128 T HA -0.048 4.303 4.350 0.001 0.000 0.268 128 T C 1.612 176.318 174.700 0.009 0.000 1.057 128 T CA 1.694 63.804 62.100 0.016 0.000 1.136 128 T CB -0.274 68.616 68.868 0.037 0.000 0.874 128 T HN 0.641 nan 8.240 nan 0.000 0.466 129 V N -1.344 118.571 119.914 0.003 0.000 3.542 129 V HA 0.608 4.728 4.120 0.001 0.000 0.296 129 V C 1.320 177.411 176.094 -0.004 0.000 1.364 129 V CA 0.234 62.536 62.300 0.004 0.000 1.118 129 V CB -0.723 31.108 31.823 0.013 0.000 0.972 129 V HN 0.455 nan 8.190 nan 0.000 0.430 130 G N 0.942 109.731 108.800 -0.019 0.000 2.176 130 G HA2 -0.334 3.627 3.960 0.001 0.000 0.252 130 G HA3 -0.334 3.627 3.960 0.001 0.000 0.252 130 G C 0.083 174.975 174.900 -0.013 0.000 1.024 130 G CA 0.587 45.671 45.100 -0.026 0.000 0.755 130 G HN 0.993 nan 8.290 nan 0.000 0.507 131 Q N 1.104 120.895 119.800 -0.015 0.000 2.344 131 Q HA 0.567 4.907 4.340 0.001 0.000 0.253 131 Q C 0.626 176.579 176.000 -0.080 0.000 1.050 131 Q CA 0.277 56.067 55.803 -0.022 0.000 0.912 131 Q CB 0.680 29.418 28.738 0.000 0.000 1.258 131 Q HN 0.458 nan 8.270 nan 0.000 0.443 132 S N 3.201 118.868 115.700 -0.054 0.000 2.525 132 S HA 0.557 5.028 4.470 0.001 0.000 0.285 132 S C -0.841 173.503 174.600 -0.426 0.000 1.283 132 S CA 0.421 58.588 58.200 -0.055 0.000 1.072 132 S CB -0.328 62.977 63.200 0.175 0.000 0.867 132 S HN 0.795 nan 8.310 nan 0.000 0.492 133 A N 4.207 126.709 122.820 -0.530 0.000 2.608 133 A HA 0.693 5.013 4.320 0.001 0.000 0.292 133 A C -0.744 176.608 177.584 -0.387 0.000 1.066 133 A CA -0.819 50.765 52.037 -0.756 0.000 0.676 133 A CB 1.570 20.315 19.000 -0.425 0.000 1.277 133 A HN 0.660 nan 8.150 nan 0.000 0.413 134 T N 0.784 115.173 114.554 -0.275 0.000 2.881 134 T HA 0.641 4.991 4.350 0.001 0.000 0.290 134 T C 0.212 174.751 174.700 -0.269 0.000 1.000 134 T CA 0.087 62.042 62.100 -0.243 0.000 0.978 134 T CB 1.731 70.411 68.868 -0.313 0.000 0.997 134 T HN 1.339 nan 8.240 nan 0.000 0.443 135 G N 1.461 110.092 108.800 -0.283 0.000 2.372 135 G HA2 0.529 4.489 3.960 0.001 0.000 0.283 135 G HA3 0.529 4.489 3.960 0.001 0.000 0.283 135 G C -1.412 173.290 174.900 -0.330 0.000 1.177 135 G CA -0.227 44.794 45.100 -0.132 0.000 0.842 135 G HN 0.605 nan 8.290 nan 0.000 0.503 136 Y N 1.135 121.564 120.300 0.214 0.000 2.345 136 Y HA 0.590 5.141 4.550 0.001 0.000 0.331 136 Y C 0.800 176.923 175.900 0.371 0.000 0.959 136 Y CA -0.246 57.975 58.100 0.202 0.000 1.204 136 Y CB 2.136 40.774 38.460 0.298 0.000 1.135 136 Y HN 0.793 nan 8.280 nan 0.000 0.477 137 G N 2.346 111.349 108.800 0.338 0.000 3.086 137 G HA2 0.728 4.689 3.960 0.001 0.000 0.282 137 G HA3 0.728 4.689 3.960 0.001 0.000 0.282 137 G C -1.742 173.311 174.900 0.255 0.000 1.343 137 G CA -0.989 44.377 45.100 0.443 0.000 0.895 137 G HN 0.401 nan 8.290 nan 0.000 0.557 138 L N 0.440 121.707 121.223 0.074 0.000 2.334 138 L HA 0.401 4.742 4.340 0.001 0.000 0.276 138 L C -0.554 176.079 176.870 -0.395 0.000 1.014 138 L CA -0.998 53.743 54.840 -0.164 0.000 0.815 138 L CB 2.118 43.925 42.059 -0.419 0.000 1.268 138 L HN 0.406 nan 8.230 nan 0.000 0.428 139 N N 2.114 120.713 118.700 -0.168 0.000 3.034 139 N HA 0.128 4.869 4.740 0.001 0.000 0.265 139 N C -0.985 174.509 175.510 -0.028 0.000 1.166 139 N CA -0.301 52.736 53.050 -0.021 0.000 1.081 139 N CB -0.225 38.247 38.487 -0.025 0.000 1.378 139 N HN 0.210 nan 8.380 nan 0.000 0.520 140 Y N 0.639 121.065 120.300 0.210 0.000 2.620 140 Y HA -0.038 4.513 4.550 0.001 0.000 0.330 140 Y C 1.921 177.965 175.900 0.240 0.000 1.186 140 Y CA 0.207 58.408 58.100 0.169 0.000 1.467 140 Y CB 0.644 39.178 38.460 0.123 0.000 1.262 140 Y HN 0.447 nan 8.280 nan 0.000 0.550 141 Q N 1.863 121.743 119.800 0.133 0.000 2.119 141 Q HA -0.162 4.178 4.340 0.001 0.000 0.201 141 Q C -0.023 175.851 176.000 -0.211 0.000 0.972 141 Q CA 1.556 57.212 55.803 -0.245 0.000 0.847 141 Q CB 0.099 28.436 28.738 -0.669 0.000 0.903 141 Q HN 0.867 nan 8.270 nan 0.000 0.433 142 Y N -1.236 119.247 120.300 0.305 0.000 2.707 142 Y HA 0.337 4.887 4.550 0.001 0.000 0.249 142 Y C 0.868 176.876 175.900 0.180 0.000 1.166 142 Y CA -0.022 58.223 58.100 0.242 0.000 1.184 142 Y CB 0.714 39.262 38.460 0.147 0.000 1.240 142 Y HN 0.238 nan 8.280 nan 0.000 0.547 143 G N 1.031 109.994 108.800 0.271 0.000 2.581 143 G HA2 -0.397 3.563 3.960 0.001 0.000 0.291 143 G HA3 -0.397 3.563 3.960 0.001 0.000 0.291 143 G C 0.850 175.708 174.900 -0.070 0.000 1.277 143 G CA 0.747 45.861 45.100 0.024 0.000 0.959 143 G HN 0.332 nan 8.290 nan 0.000 0.554 144 L N -0.183 120.967 121.223 -0.121 0.000 2.013 144 L HA 0.583 4.924 4.340 0.001 0.000 0.204 144 L C 0.943 177.901 176.870 0.147 0.000 1.081 144 L CA 2.869 57.671 54.840 -0.063 0.000 0.751 144 L CB -0.194 41.758 42.059 -0.179 0.000 0.901 144 L HN 1.388 nan 8.230 nan 0.000 0.440 145 F N -2.773 117.180 119.950 0.005 0.000 2.767 145 F HA 0.315 4.843 4.527 0.001 0.000 0.317 145 F C -0.720 175.082 175.800 0.002 0.000 1.119 145 F CA -1.521 56.486 58.000 0.012 0.000 0.971 145 F CB 0.340 39.342 39.000 0.003 0.000 1.251 145 F HN -0.099 nan 8.300 nan 0.000 0.450 146 R N 2.956 123.584 120.500 0.213 0.000 2.216 146 R HA 0.332 4.673 4.340 0.001 0.000 0.332 146 R C -0.657 175.784 176.300 0.236 0.000 1.056 146 R CA -0.326 55.842 56.100 0.113 0.000 0.901 146 R CB 0.995 31.343 30.300 0.079 0.000 1.039 146 R HN 0.900 nan 8.270 nan 0.000 0.456 147 Q N 3.038 122.916 119.800 0.130 0.000 2.243 147 Q HA 0.280 4.621 4.340 0.001 0.000 0.252 147 Q C -1.211 174.689 176.000 -0.166 0.000 0.909 147 Q CA -0.403 55.466 55.803 0.109 0.000 0.922 147 Q CB 1.287 30.058 28.738 0.055 0.000 1.215 147 Q HN 0.829 nan 8.270 nan 0.000 0.427 148 S N 2.238 117.794 115.700 -0.240 0.000 2.618 148 S HA 0.714 5.184 4.470 0.001 0.000 0.277 148 S C -1.204 173.179 174.600 -0.361 0.000 1.138 148 S CA -0.789 57.210 58.200 -0.336 0.000 0.844 148 S CB 0.959 64.083 63.200 -0.126 0.000 1.127 148 S HN 0.401 nan 8.310 nan 0.000 0.474 149 F N 0.500 120.422 119.950 -0.046 0.000 2.482 149 F HA 0.682 5.210 4.527 0.001 0.000 0.331 149 F C -0.460 175.320 175.800 -0.034 0.000 1.115 149 F CA -1.272 56.689 58.000 -0.066 0.000 0.955 149 F CB 2.059 41.000 39.000 -0.099 0.000 1.136 149 F HN 0.439 nan 8.300 nan 0.000 0.452 150 V N 3.080 123.092 119.914 0.164 0.000 2.443 150 V HA 0.302 4.423 4.120 0.001 0.000 0.293 150 V C -0.694 175.446 176.094 0.077 0.000 1.021 150 V CA -1.132 61.220 62.300 0.087 0.000 0.848 150 V CB 1.414 33.261 31.823 0.039 0.000 0.998 150 V HN 0.786 nan 8.190 nan 0.000 0.424 151 D N 4.216 124.666 120.400 0.084 0.000 2.723 151 D HA -0.198 4.442 4.640 0.001 0.000 0.236 151 D C 1.360 177.769 176.300 0.181 0.000 1.138 151 D CA 1.660 55.724 54.000 0.106 0.000 0.676 151 D CB -1.086 39.761 40.800 0.079 0.000 1.069 151 D HN 1.439 nan 8.370 nan 0.000 0.430 152 G N -0.736 108.140 108.800 0.127 0.000 2.184 152 G HA2 -0.379 3.582 3.960 0.001 0.000 0.264 152 G HA3 -0.379 3.582 3.960 0.001 0.000 0.264 152 G C 0.295 175.246 174.900 0.086 0.000 0.975 152 G CA 0.972 46.117 45.100 0.075 0.000 0.642 152 G HN 0.515 nan 8.290 nan 0.000 0.536 153 K N 0.319 120.771 120.400 0.086 0.000 2.123 153 K HA 0.482 4.803 4.320 0.001 0.000 0.259 153 K C 0.393 177.081 176.600 0.147 0.000 0.960 153 K CA -0.720 55.573 56.287 0.011 0.000 0.872 153 K CB 1.484 33.883 32.500 -0.168 0.000 1.079 153 K HN 0.288 nan 8.250 nan 0.000 0.440 154 Q N 1.933 121.825 119.800 0.155 0.000 2.263 154 Q HA 0.054 4.395 4.340 0.001 0.000 0.289 154 Q C -1.063 174.956 176.000 0.031 0.000 1.061 154 Q CA 0.028 55.949 55.803 0.196 0.000 0.927 154 Q CB 0.560 29.367 28.738 0.116 0.000 1.154 154 Q HN 0.305 nan 8.270 nan 0.000 0.378 155 V N 4.409 124.322 119.914 -0.003 0.000 2.555 155 V HA 0.304 4.425 4.120 0.001 0.000 0.302 155 V C -1.006 175.016 176.094 -0.120 0.000 1.038 155 V CA -0.726 61.533 62.300 -0.068 0.000 0.887 155 V CB 2.072 33.873 31.823 -0.036 0.000 0.991 155 V HN 0.849 nan 8.190 nan 0.000 0.434 156 E N 2.949 123.021 120.200 -0.214 0.000 2.145 156 E HA 0.740 5.091 4.350 0.001 0.000 0.270 156 E C -0.349 176.202 176.600 -0.081 0.000 0.906 156 E CA -0.148 56.083 56.400 -0.282 0.000 0.761 156 E CB 1.888 31.142 29.700 -0.743 0.000 1.116 156 E HN 0.870 nan 8.360 nan 0.000 0.408 157 A N 3.832 126.681 122.820 0.048 0.000 2.386 157 A HA 0.783 5.103 4.320 0.001 0.000 0.308 157 A C -2.566 175.061 177.584 0.073 0.000 1.128 157 A CA -2.080 49.973 52.037 0.027 0.000 0.789 157 A CB 0.824 19.834 19.000 0.017 0.000 1.325 157 A HN 0.393 nan 8.150 nan 0.000 0.437 158 P HA 0.135 nan 4.420 nan 0.000 0.267 158 P C -0.967 176.407 177.300 0.123 0.000 1.205 158 P CA 0.280 63.372 63.100 -0.014 0.000 0.765 158 P CB 0.447 31.929 31.700 -0.363 0.000 0.828 159 D N 2.403 122.936 120.400 0.222 0.000 2.631 159 D HA 0.016 4.657 4.640 0.001 0.000 0.227 159 D C -0.466 176.036 176.300 0.335 0.000 1.146 159 D CA -0.196 53.924 54.000 0.199 0.000 1.009 159 D CB -0.730 40.138 40.800 0.114 0.000 1.057 159 D HN 0.142 nan 8.370 nan 0.000 0.509 160 D N 2.297 122.886 120.400 0.314 0.000 2.382 160 D HA -0.076 4.565 4.640 0.001 0.000 0.259 160 D C 0.525 176.854 176.300 0.048 0.000 1.224 160 D CA -0.272 53.889 54.000 0.267 0.000 0.894 160 D CB 0.287 41.198 40.800 0.186 0.000 1.127 160 D HN 0.476 nan 8.370 nan 0.000 0.487 161 W N 4.660 125.861 121.300 -0.166 0.000 2.771 161 W HA 0.193 4.854 4.660 0.001 0.000 0.412 161 W C -0.470 175.982 176.519 -0.112 0.000 0.965 161 W CA -0.515 56.715 57.345 -0.191 0.000 2.045 161 W CB -1.252 28.163 29.460 -0.074 0.000 1.176 161 W HN 0.411 nan 8.180 nan 0.000 0.634 162 H N 0.965 119.922 119.070 -0.189 0.000 2.756 162 H HA -0.238 4.319 4.556 0.001 0.000 0.315 162 H C 1.834 176.891 175.328 -0.451 0.000 1.210 162 H CA 1.335 57.261 56.048 -0.204 0.000 1.150 162 H CB -1.882 27.896 29.762 0.026 0.000 1.463 162 H HN 0.428 nan 8.280 nan 0.000 0.427 163 R N 0.984 120.894 120.500 -0.982 0.000 2.112 163 R HA -0.203 4.138 4.340 0.001 0.000 0.242 163 R C 2.179 178.193 176.300 -0.478 0.000 1.137 163 R CA 2.536 57.858 56.100 -1.295 0.000 0.944 163 R CB -0.132 29.426 30.300 -1.238 0.000 0.857 163 R HN 0.440 nan 8.270 nan 0.000 0.435 164 S N -0.101 115.353 115.700 -0.409 0.000 2.447 164 S HA -0.024 4.446 4.470 0.001 0.000 0.233 164 S C 1.179 175.755 174.600 -0.040 0.000 1.006 164 S CA 0.973 58.976 58.200 -0.328 0.000 0.957 164 S CB -0.087 62.938 63.200 -0.293 0.000 0.773 164 S HN 0.415 nan 8.310 nan 0.000 0.507 165 N N 0.246 118.970 118.700 0.041 0.000 2.235 165 N HA 0.157 4.898 4.740 0.001 0.000 0.209 165 N C -0.626 175.027 175.510 0.238 0.000 1.122 165 N CA -0.153 52.976 53.050 0.131 0.000 0.845 165 N CB -0.060 38.470 38.487 0.071 0.000 1.004 165 N HN 0.537 nan 8.380 nan 0.000 0.499 166 Y N 4.073 124.517 120.300 0.239 0.000 2.569 166 Y HA 0.089 4.639 4.550 0.001 0.000 0.332 166 Y C -1.200 174.864 175.900 0.273 0.000 1.120 166 Y CA -1.406 56.889 58.100 0.326 0.000 1.416 166 Y CB 0.967 39.625 38.460 0.329 0.000 1.210 166 Y HN 0.056 nan 8.280 nan 0.000 0.528 167 P HA -0.132 nan 4.420 nan 0.000 0.226 167 P C 0.361 177.406 177.300 -0.425 0.000 1.153 167 P CA 1.362 64.191 63.100 -0.451 0.000 0.777 167 P CB -0.009 31.210 31.700 -0.801 0.000 0.794 168 W N -1.687 119.453 121.300 -0.267 0.000 3.256 168 W HA 0.214 4.875 4.660 0.001 0.000 0.269 168 W C 0.587 177.182 176.519 0.126 0.000 1.310 168 W CA -0.578 56.740 57.345 -0.045 0.000 1.673 168 W CB -0.512 28.950 29.460 0.004 0.000 1.115 168 W HN -0.258 nan 8.180 nan 0.000 0.686 169 F N 2.308 122.516 119.950 0.429 0.000 2.459 169 F HA 0.205 4.733 4.527 0.001 0.000 0.346 169 F C 1.091 177.030 175.800 0.232 0.000 1.128 169 F CA -0.817 57.432 58.000 0.415 0.000 1.268 169 F CB 0.447 39.801 39.000 0.590 0.000 1.161 169 F HN -0.151 nan 8.300 nan 0.000 0.583 170 R N 2.277 123.031 120.500 0.424 0.000 2.628 170 R HA 0.509 4.850 4.340 0.001 0.000 0.288 170 R C -2.030 174.210 176.300 -0.099 0.000 0.980 170 R CA -0.855 55.318 56.100 0.121 0.000 0.891 170 R CB 1.483 31.825 30.300 0.070 0.000 1.188 170 R HN 0.699 nan 8.270 nan 0.000 0.450 171 H N 2.231 121.021 119.070 -0.467 0.000 2.708 171 H HA 0.314 4.871 4.556 0.001 0.000 0.320 171 H C -1.438 173.626 175.328 -0.440 0.000 0.991 171 H CA -0.800 54.782 56.048 -0.776 0.000 1.243 171 H CB 1.207 30.006 29.762 -1.606 0.000 1.446 171 H HN 0.674 nan 8.280 nan 0.000 0.502 172 N N 3.646 121.945 118.700 -0.668 0.000 2.437 172 N HA 0.016 4.756 4.740 0.001 0.000 0.243 172 N C 0.885 175.983 175.510 -0.686 0.000 1.041 172 N CA -0.145 52.568 53.050 -0.560 0.000 0.940 172 N CB 0.664 38.981 38.487 -0.283 0.000 1.133 172 N HN 0.922 nan 8.380 nan 0.000 0.506 173 E N 2.823 122.588 120.200 -0.725 0.000 2.209 173 E HA -0.185 4.165 4.350 0.001 0.000 0.196 173 E C 1.157 177.665 176.600 -0.154 0.000 0.993 173 E CA 1.285 57.450 56.400 -0.392 0.000 0.819 173 E CB -0.112 29.462 29.700 -0.211 0.000 0.745 173 E HN 0.508 nan 8.360 nan 0.000 0.477 174 A N 1.142 123.872 122.820 -0.151 0.000 2.172 174 A HA 0.025 4.346 4.320 0.001 0.000 0.216 174 A C 1.969 179.535 177.584 -0.029 0.000 1.154 174 A CA 0.594 52.586 52.037 -0.075 0.000 0.701 174 A CB -0.391 18.564 19.000 -0.075 0.000 0.789 174 A HN 0.315 nan 8.150 nan 0.000 0.465 175 L N -0.312 120.899 121.223 -0.020 0.000 2.607 175 L HA 0.105 4.446 4.340 0.001 0.000 0.228 175 L C -0.373 176.614 176.870 0.194 0.000 1.123 175 L CA -0.521 54.369 54.840 0.083 0.000 0.890 175 L CB -0.312 41.794 42.059 0.078 0.000 1.103 175 L HN 0.107 nan 8.230 nan 0.000 0.468 176 D N 1.098 121.585 120.400 0.146 0.000 2.449 176 D HA 0.126 4.766 4.640 0.001 0.000 0.236 176 D C -0.093 176.262 176.300 0.092 0.000 1.149 176 D CA 0.521 54.630 54.000 0.181 0.000 0.878 176 D CB 1.799 42.670 40.800 0.118 0.000 1.198 176 D HN -0.161 nan 8.370 nan 0.000 0.446 177 V N 1.732 121.664 119.914 0.030 0.000 2.656 177 V HA 0.299 4.419 4.120 0.001 0.000 0.307 177 V C -1.149 174.894 176.094 -0.086 0.000 1.051 177 V CA -0.824 61.419 62.300 -0.095 0.000 0.893 177 V CB 1.968 33.648 31.823 -0.238 0.000 0.999 177 V HN 0.305 nan 8.190 nan 0.000 0.426 178 Q N 4.240 123.991 119.800 -0.083 0.000 2.279 178 Q HA 0.513 4.854 4.340 0.001 0.000 0.256 178 Q C -0.850 175.106 176.000 -0.073 0.000 0.937 178 Q CA -0.202 55.553 55.803 -0.080 0.000 0.933 178 Q CB 1.847 30.530 28.738 -0.091 0.000 1.189 178 Q HN 0.686 nan 8.270 nan 0.000 0.417 179 V N 1.762 121.658 119.914 -0.030 0.000 2.444 179 V HA 0.516 4.637 4.120 0.001 0.000 0.294 179 V C 0.425 176.570 176.094 0.084 0.000 1.022 179 V CA -0.846 61.475 62.300 0.035 0.000 0.850 179 V CB 1.866 33.739 31.823 0.083 0.000 0.992 179 V HN 0.855 nan 8.190 nan 0.000 0.426 180 G N 3.695 112.540 108.800 0.075 0.000 2.448 180 G HA2 0.693 4.654 3.960 0.001 0.000 0.285 180 G HA3 0.693 4.654 3.960 0.001 0.000 0.285 180 G C -1.014 174.066 174.900 0.300 0.000 1.176 180 G CA -0.252 44.812 45.100 -0.060 0.000 0.852 180 G HN 0.644 nan 8.290 nan 0.000 0.530 181 I N -0.052 120.688 120.570 0.284 0.000 2.827 181 I HA 0.608 4.779 4.170 0.001 0.000 0.298 181 I C 0.676 177.017 176.117 0.373 0.000 1.235 181 I CA 0.626 62.185 61.300 0.432 0.000 1.021 181 I CB 1.924 40.164 38.000 0.401 0.000 1.259 181 I HN 1.219 nan 8.210 nan 0.000 0.427 182 G N 3.768 112.790 108.800 0.370 0.000 2.552 182 G HA2 0.233 4.194 3.960 0.001 0.000 0.265 182 G HA3 0.233 4.194 3.960 0.001 0.000 0.265 182 G C 0.611 175.740 174.900 0.381 0.000 1.234 182 G CA -0.083 45.188 45.100 0.284 0.000 0.944 182 G HN 2.182 nan 8.290 nan 0.000 0.568 183 G N -0.675 108.274 108.800 0.248 0.000 2.512 183 G HA2 0.303 4.263 3.960 0.001 0.000 0.254 183 G HA3 0.303 4.263 3.960 0.001 0.000 0.254 183 G C 0.086 175.135 174.900 0.249 0.000 1.199 183 G CA 1.946 47.181 45.100 0.225 0.000 0.941 183 G HN 2.512 nan 8.290 nan 0.000 0.569 184 K N -2.219 118.352 120.400 0.286 0.000 2.548 184 K HA 0.732 5.052 4.320 0.001 0.000 0.282 184 K C -1.333 175.446 176.600 0.298 0.000 1.006 184 K CA -1.064 55.361 56.287 0.230 0.000 0.892 184 K CB 1.959 34.543 32.500 0.141 0.000 1.499 184 K HN 0.865 nan 8.250 nan 0.000 0.433 185 V N 1.847 121.872 119.914 0.186 0.000 2.435 185 V HA 0.297 4.417 4.120 0.001 0.000 0.290 185 V C 0.399 176.560 176.094 0.112 0.000 1.030 185 V CA -0.531 61.870 62.300 0.168 0.000 0.881 185 V CB 1.336 33.211 31.823 0.087 0.000 0.983 185 V HN 1.009 nan 8.190 nan 0.000 0.445 186 T N 2.090 116.709 114.554 0.108 0.000 2.701 186 T HA 0.187 4.537 4.350 0.001 0.000 0.303 186 T C 1.153 175.889 174.700 0.060 0.000 1.030 186 T CA -0.462 61.684 62.100 0.076 0.000 1.010 186 T CB 0.610 69.519 68.868 0.069 0.000 1.007 186 T HN 0.469 nan 8.240 nan 0.000 0.532 187 K N 0.947 121.375 120.400 0.047 0.000 2.147 187 K HA -0.092 4.229 4.320 0.001 0.000 0.205 187 K C 1.639 178.262 176.600 0.037 0.000 1.049 187 K CA 1.543 57.853 56.287 0.038 0.000 0.936 187 K CB -0.637 31.881 32.500 0.031 0.000 0.722 187 K HN 0.880 nan 8.250 nan 0.000 0.446 188 D N -1.037 119.387 120.400 0.041 0.000 2.328 188 D HA 0.054 4.695 4.640 0.001 0.000 0.226 188 D C 0.857 177.186 176.300 0.048 0.000 1.066 188 D CA 0.620 54.644 54.000 0.040 0.000 0.861 188 D CB -0.101 40.721 40.800 0.036 0.000 0.912 188 D HN 0.205 nan 8.370 nan 0.000 0.521 189 G N 0.529 109.363 108.800 0.056 0.000 2.132 189 G HA2 -0.281 3.679 3.960 0.001 0.000 0.228 189 G HA3 -0.281 3.679 3.960 0.001 0.000 0.228 189 G C -0.039 174.915 174.900 0.090 0.000 1.000 189 G CA -0.406 44.733 45.100 0.065 0.000 0.693 189 G HN 0.417 nan 8.290 nan 0.000 0.515 190 R N -1.000 119.562 120.500 0.103 0.000 2.312 190 R HA 0.390 4.731 4.340 0.001 0.000 0.311 190 R C -0.300 176.128 176.300 0.214 0.000 1.004 190 R CA -0.868 55.311 56.100 0.131 0.000 0.902 190 R CB 0.903 31.256 30.300 0.089 0.000 1.073 190 R HN 0.190 nan 8.270 nan 0.000 0.457 191 W N 4.151 125.463 121.300 0.021 0.000 2.388 191 W HA 0.115 4.776 4.660 0.001 0.000 0.308 191 W C -0.683 175.858 176.519 0.036 0.000 1.263 191 W CA -0.865 56.497 57.345 0.028 0.000 1.286 191 W CB 0.546 30.022 29.460 0.026 0.000 1.294 191 W HN 0.504 nan 8.180 nan 0.000 0.493 192 E N 8.018 128.278 120.200 0.100 0.000 2.121 192 E HA 0.227 4.577 4.350 0.001 0.000 0.255 192 E C -2.181 174.311 176.600 -0.179 0.000 0.906 192 E CA -1.844 54.500 56.400 -0.094 0.000 0.745 192 E CB 1.032 30.742 29.700 0.016 0.000 1.155 192 E HN 0.110 nan 8.360 nan 0.000 0.424 193 P HA -0.063 nan 4.420 nan 0.000 0.272 193 P C 0.365 177.637 177.300 -0.046 0.000 1.223 193 P CA 0.024 62.931 63.100 -0.321 0.000 0.784 193 P CB 0.646 32.016 31.700 -0.550 0.000 0.923 194 E N 1.273 121.532 120.200 0.097 0.000 2.447 194 E HA 0.082 4.432 4.350 0.001 0.000 0.195 194 E C -0.371 176.371 176.600 0.237 0.000 1.028 194 E CA 0.214 56.695 56.400 0.136 0.000 0.876 194 E CB 0.074 29.859 29.700 0.142 0.000 0.885 194 E HN 0.334 nan 8.360 nan 0.000 0.500 195 F N 0.826 120.797 119.950 0.035 0.000 2.608 195 F HA 0.397 4.925 4.527 0.001 0.000 0.309 195 F C -1.490 174.347 175.800 0.061 0.000 1.103 195 F CA -0.586 57.461 58.000 0.078 0.000 0.954 195 F CB 2.477 41.535 39.000 0.097 0.000 1.267 195 F HN -0.286 nan 8.300 nan 0.000 0.444 196 T N 6.549 120.849 114.554 -0.422 0.000 2.809 196 T HA 0.601 4.952 4.350 0.001 0.000 0.284 196 T C -0.486 173.893 174.700 -0.536 0.000 0.992 196 T CA -0.319 61.568 62.100 -0.355 0.000 0.957 196 T CB 0.943 69.646 68.868 -0.274 0.000 0.942 196 T HN 0.377 nan 8.240 nan 0.000 0.439 197 I N 2.513 122.944 120.570 -0.232 0.000 2.392 197 I HA 0.297 4.468 4.170 0.001 0.000 0.295 197 I C 0.540 176.607 176.117 -0.084 0.000 0.985 197 I CA -0.548 60.661 61.300 -0.153 0.000 1.221 197 I CB 1.561 39.587 38.000 0.043 0.000 1.366 197 I HN 0.465 nan 8.210 nan 0.000 0.467 198 T N 4.957 119.445 114.554 -0.110 0.000 2.727 198 T HA 0.352 4.703 4.350 0.001 0.000 0.298 198 T C 0.372 175.175 174.700 0.171 0.000 0.942 198 T CA -0.554 61.539 62.100 -0.011 0.000 0.997 198 T CB 0.706 69.528 68.868 -0.078 0.000 0.917 198 T HN 0.789 nan 8.240 nan 0.000 0.487 199 G N 3.059 112.018 108.800 0.264 0.000 2.325 199 G HA2 0.440 4.400 3.960 0.001 0.000 0.298 199 G HA3 0.440 4.400 3.960 0.001 0.000 0.298 199 G C -0.501 174.665 174.900 0.443 0.000 1.134 199 G CA -0.546 44.833 45.100 0.466 0.000 0.876 199 G HN 0.620 nan 8.290 nan 0.000 0.452 200 Q N 0.431 120.554 119.800 0.539 0.000 2.256 200 Q HA 0.526 4.867 4.340 0.001 0.000 0.257 200 Q C -0.057 176.237 176.000 0.492 0.000 0.936 200 Q CA -0.665 55.409 55.803 0.451 0.000 0.903 200 Q CB 2.319 31.211 28.738 0.256 0.000 1.263 200 Q HN 0.660 nan 8.270 nan 0.000 0.440 201 A N 2.887 125.849 122.820 0.237 0.000 2.347 201 A HA 0.290 4.611 4.320 0.001 0.000 0.287 201 A C -1.436 175.996 177.584 -0.253 0.000 1.199 201 A CA -0.236 51.647 52.037 -0.256 0.000 0.851 201 A CB -0.058 18.704 19.000 -0.397 0.000 1.118 201 A HN 0.662 nan 8.150 nan 0.000 0.525 202 W N 2.181 123.344 121.300 -0.227 0.000 2.318 202 W HA 0.414 5.075 4.660 0.001 0.000 0.315 202 W C -0.874 175.672 176.519 0.044 0.000 1.033 202 W CA -0.262 56.956 57.345 -0.213 0.000 1.275 202 W CB 1.484 30.554 29.460 -0.649 0.000 1.250 202 W HN 0.550 nan 8.180 nan 0.000 0.421 203 D N 3.594 124.158 120.400 0.273 0.000 2.193 203 D HA 0.457 5.097 4.640 0.001 0.000 0.244 203 D C -0.463 176.066 176.300 0.382 0.000 1.064 203 D CA -0.305 53.825 54.000 0.215 0.000 0.845 203 D CB 1.602 42.434 40.800 0.053 0.000 1.148 203 D HN 0.147 nan 8.370 nan 0.000 0.464 204 L N 3.569 124.907 121.223 0.192 0.000 2.334 204 L HA 0.437 4.777 4.340 0.001 0.000 0.276 204 L C -2.249 174.631 176.870 0.017 0.000 1.014 204 L CA -1.962 52.934 54.840 0.093 0.000 0.815 204 L CB 2.035 44.065 42.059 -0.048 0.000 1.268 204 L HN 0.099 nan 8.230 nan 0.000 0.428 205 P HA 0.141 nan 4.420 nan 0.000 0.281 205 P C -0.810 176.420 177.300 -0.116 0.000 1.252 205 P CA -0.287 62.798 63.100 -0.025 0.000 0.778 205 P CB 1.354 33.069 31.700 0.026 0.000 0.895 206 V N 4.851 124.702 119.914 -0.106 0.000 2.333 206 V HA 0.153 4.274 4.120 0.001 0.000 0.274 206 V C 0.422 176.448 176.094 -0.114 0.000 1.028 206 V CA -0.605 61.623 62.300 -0.121 0.000 0.851 206 V CB 1.476 33.240 31.823 -0.098 0.000 1.000 206 V HN 0.264 nan 8.190 nan 0.000 0.456 207 V N 4.730 124.556 119.914 -0.146 0.000 2.407 207 V HA 0.567 4.688 4.120 0.001 0.000 0.278 207 V C 1.025 177.055 176.094 -0.108 0.000 1.037 207 V CA -0.277 61.936 62.300 -0.146 0.000 0.900 207 V CB 1.346 33.042 31.823 -0.211 0.000 0.983 207 V HN 0.908 nan 8.190 nan 0.000 0.459 208 G N 2.514 111.258 108.800 -0.094 0.000 2.539 208 G HA2 0.269 4.229 3.960 0.001 0.000 0.258 208 G HA3 0.269 4.229 3.960 0.001 0.000 0.258 208 G C -0.799 174.077 174.900 -0.039 0.000 1.202 208 G CA -0.318 44.751 45.100 -0.052 0.000 0.851 208 G HN 0.677 nan 8.290 nan 0.000 0.556 209 Y N 2.198 122.429 120.300 -0.114 0.000 2.587 209 Y HA 0.206 4.757 4.550 0.001 0.000 0.344 209 Y C 1.263 177.092 175.900 -0.118 0.000 1.061 209 Y CA -0.434 57.592 58.100 -0.124 0.000 1.370 209 Y CB 0.197 38.583 38.460 -0.123 0.000 1.163 209 Y HN 0.623 nan 8.280 nan 0.000 0.527 210 R N 2.926 123.095 120.500 -0.551 0.000 3.627 210 R HA -0.271 4.070 4.340 0.001 0.000 0.281 210 R C -0.143 176.011 176.300 -0.243 0.000 1.140 210 R CA 1.120 56.936 56.100 -0.474 0.000 0.761 210 R CB -2.525 27.343 30.300 -0.721 0.000 1.181 210 R HN 0.882 nan 8.270 nan 0.000 0.472 211 N N -2.089 116.506 118.700 -0.174 0.000 2.118 211 N HA 0.108 4.849 4.740 0.001 0.000 0.226 211 N C 1.022 176.458 175.510 -0.123 0.000 1.305 211 N CA 0.654 53.632 53.050 -0.120 0.000 0.890 211 N CB 0.447 38.883 38.487 -0.084 0.000 1.118 211 N HN 0.293 nan 8.380 nan 0.000 0.511 212 G N 0.161 108.878 108.800 -0.138 0.000 2.184 212 G HA2 -0.274 3.687 3.960 0.001 0.000 0.264 212 G HA3 -0.274 3.687 3.960 0.001 0.000 0.264 212 G C -0.215 174.596 174.900 -0.148 0.000 0.975 212 G CA 0.525 45.546 45.100 -0.131 0.000 0.642 212 G HN 0.318 nan 8.290 nan 0.000 0.536 213 V N 0.676 120.503 119.914 -0.145 0.000 2.614 213 V HA 0.636 4.757 4.120 0.001 0.000 0.291 213 V C 0.677 176.711 176.094 -0.100 0.000 1.049 213 V CA 0.462 62.677 62.300 -0.142 0.000 1.038 213 V CB 1.453 33.204 31.823 -0.120 0.000 0.980 213 V HN 1.453 nan 8.190 nan 0.000 0.481 214 A N 5.504 128.288 122.820 -0.060 0.000 2.429 214 A HA 0.752 5.073 4.320 0.001 0.000 0.289 214 A C -0.707 176.889 177.584 0.020 0.000 1.043 214 A CA -0.723 51.297 52.037 -0.028 0.000 0.722 214 A CB 1.396 20.392 19.000 -0.008 0.000 1.243 214 A HN 0.837 nan 8.150 nan 0.000 0.415 215 Q N 2.018 121.814 119.800 -0.007 0.000 2.456 215 Q HA 0.715 5.056 4.340 0.001 0.000 0.283 215 Q C -2.992 172.982 176.000 -0.043 0.000 1.084 215 Q CA -2.388 53.420 55.803 0.008 0.000 0.801 215 Q CB 2.537 31.282 28.738 0.013 0.000 1.434 215 Q HN 0.401 nan 8.270 nan 0.000 0.419 216 P HA 0.104 nan 4.420 nan 0.000 0.275 216 P C -1.013 176.170 177.300 -0.195 0.000 1.227 216 P CA -0.519 62.515 63.100 -0.110 0.000 0.781 216 P CB 0.582 32.208 31.700 -0.123 0.000 0.906 217 L N 3.787 124.885 121.223 -0.207 0.000 2.259 217 L HA 0.416 4.756 4.340 0.001 0.000 0.288 217 L C 0.170 176.863 176.870 -0.296 0.000 1.051 217 L CA -0.576 54.058 54.840 -0.343 0.000 0.824 217 L CB 0.003 41.843 42.059 -0.364 0.000 1.206 217 L HN 0.274 nan 8.230 nan 0.000 0.429 218 R N 5.450 125.708 120.500 -0.404 0.000 2.196 218 R HA 0.554 4.895 4.340 0.001 0.000 0.340 218 R C -1.434 174.624 176.300 -0.405 0.000 1.043 218 R CA -0.350 55.505 56.100 -0.408 0.000 0.883 218 R CB 0.343 30.317 30.300 -0.543 0.000 1.078 218 R HN 0.777 nan 8.270 nan 0.000 0.462 219 L N 5.762 126.840 121.223 -0.240 0.000 2.276 219 L HA 0.415 4.756 4.340 0.001 0.000 0.286 219 L C -0.671 176.154 176.870 -0.076 0.000 1.024 219 L CA -0.782 53.996 54.840 -0.102 0.000 0.826 219 L CB 0.997 43.126 42.059 0.117 0.000 1.211 219 L HN 0.561 nan 8.230 nan 0.000 0.422 220 W N 2.890 124.282 121.300 0.154 0.000 2.238 220 W HA 0.378 5.039 4.660 0.001 0.000 0.321 220 W C 0.374 177.066 176.519 0.287 0.000 1.293 220 W CA -0.067 57.393 57.345 0.192 0.000 1.204 220 W CB 0.555 29.996 29.460 -0.031 0.000 1.167 220 W HN 0.435 nan 8.180 nan 0.000 0.553 221 Q N 2.232 122.383 119.800 0.584 0.000 2.340 221 Q HA 0.651 4.992 4.340 0.001 0.000 0.268 221 Q C -0.811 175.389 176.000 0.333 0.000 1.031 221 Q CA -0.744 55.241 55.803 0.303 0.000 0.804 221 Q CB 1.669 30.413 28.738 0.011 0.000 1.286 221 Q HN 0.596 nan 8.270 nan 0.000 0.448 222 A N 2.537 125.358 122.820 0.001 0.000 2.301 222 A HA 0.682 5.002 4.320 0.001 0.000 0.298 222 A C -0.253 177.286 177.584 -0.076 0.000 1.185 222 A CA -0.032 51.843 52.037 -0.269 0.000 0.830 222 A CB 0.673 19.205 19.000 -0.781 0.000 1.112 222 A HN 0.768 nan 8.150 nan 0.000 0.508 223 T N -0.582 113.965 114.554 -0.011 0.000 2.865 223 T HA 0.592 4.943 4.350 0.001 0.000 0.294 223 T C -0.870 173.841 174.700 0.018 0.000 1.119 223 T CA -0.650 61.465 62.100 0.026 0.000 1.007 223 T CB 1.515 70.406 68.868 0.039 0.000 1.225 223 T HN 0.712 nan 8.240 nan 0.000 0.515 224 H N -0.216 118.845 119.070 -0.016 0.000 2.524 224 H HA 0.642 5.198 4.556 0.001 0.000 0.353 224 H C 0.966 176.242 175.328 -0.086 0.000 1.136 224 H CA -0.101 55.910 56.048 -0.062 0.000 1.193 224 H CB 2.127 31.885 29.762 -0.007 0.000 1.558 224 H HN 0.885 nan 8.280 nan 0.000 0.515 225 A N 3.875 126.460 122.820 -0.392 0.000 2.015 225 A HA -0.107 4.213 4.320 0.001 0.000 0.219 225 A C 0.378 177.704 177.584 -0.430 0.000 1.163 225 A CA 1.059 52.879 52.037 -0.362 0.000 0.646 225 A CB -0.012 18.703 19.000 -0.476 0.000 0.806 225 A HN 0.667 nan 8.150 nan 0.000 0.448 226 H N -1.201 118.152 119.070 0.471 0.000 2.380 226 H HA 0.208 4.765 4.556 0.001 0.000 0.231 226 H C -2.125 173.330 175.328 0.212 0.000 1.415 226 H CA -1.503 54.725 56.048 0.300 0.000 1.433 226 H CB 0.657 30.553 29.762 0.223 0.000 1.544 226 H HN 0.353 nan 8.280 nan 0.000 0.503 227 P HA -0.083 nan 4.420 nan 0.000 0.225 227 P C 0.273 177.708 177.300 0.226 0.000 1.156 227 P CA 0.556 63.776 63.100 0.199 0.000 0.787 227 P CB 0.521 32.339 31.700 0.196 0.000 0.802 228 F N 1.160 121.162 119.950 0.086 0.000 2.495 228 F HA 0.477 5.005 4.527 0.001 0.000 0.327 228 F C -0.533 175.312 175.800 0.075 0.000 1.103 228 F CA -1.272 56.772 58.000 0.074 0.000 0.949 228 F CB 1.356 40.381 39.000 0.042 0.000 1.142 228 F HN -0.347 nan 8.300 nan 0.000 0.457 229 D N 6.335 126.413 120.400 -0.536 0.000 2.441 229 D HA 0.103 4.744 4.640 0.001 0.000 0.231 229 D C 0.582 176.545 176.300 -0.562 0.000 1.073 229 D CA -0.255 53.528 54.000 -0.362 0.000 0.850 229 D CB 1.475 42.156 40.800 -0.198 0.000 1.062 229 D HN 0.714 nan 8.370 nan 0.000 0.524 230 L N 4.012 125.067 121.223 -0.280 0.000 2.141 230 L HA -0.069 4.272 4.340 0.001 0.000 0.209 230 L C 1.866 178.738 176.870 0.002 0.000 1.094 230 L CA 1.747 56.535 54.840 -0.087 0.000 0.763 230 L CB -0.431 41.709 42.059 0.134 0.000 0.908 230 L HN 0.364 nan 8.230 nan 0.000 0.437 231 T N -0.537 113.998 114.554 -0.032 0.000 2.708 231 T HA -0.202 4.149 4.350 0.001 0.000 0.266 231 T C 1.896 176.575 174.700 -0.036 0.000 1.037 231 T CA 1.785 63.876 62.100 -0.016 0.000 1.146 231 T CB -0.166 68.686 68.868 -0.026 0.000 0.865 231 T HN 0.321 nan 8.240 nan 0.000 0.435 232 K N 0.111 120.462 120.400 -0.082 0.000 2.057 232 K HA -0.043 4.278 4.320 0.001 0.000 0.207 232 K C 1.997 178.534 176.600 -0.104 0.000 1.049 232 K CA 1.202 57.426 56.287 -0.105 0.000 0.931 232 K CB -0.360 32.068 32.500 -0.119 0.000 0.714 232 K HN 0.226 nan 8.250 nan 0.000 0.440 233 F N 2.421 122.249 119.950 -0.202 0.000 2.069 233 F HA -0.234 4.294 4.527 0.001 0.000 0.298 233 F C 1.862 177.670 175.800 0.013 0.000 1.113 233 F CA 1.517 59.490 58.000 -0.044 0.000 1.214 233 F CB -0.142 38.899 39.000 0.067 0.000 0.978 233 F HN 0.044 nan 8.300 nan 0.000 0.474 234 N N 0.289 119.137 118.700 0.247 0.000 2.520 234 N HA -0.123 4.617 4.740 0.001 0.000 0.185 234 N C 0.784 176.297 175.510 0.005 0.000 1.068 234 N CA 1.014 54.164 53.050 0.168 0.000 0.911 234 N CB -0.425 38.161 38.487 0.166 0.000 0.961 234 N HN 0.358 nan 8.380 nan 0.000 0.446 235 D N -1.080 119.267 120.400 -0.089 0.000 2.339 235 D HA 0.174 4.814 4.640 0.001 0.000 0.217 235 D C 1.220 177.360 176.300 -0.267 0.000 1.050 235 D CA 0.358 54.277 54.000 -0.136 0.000 0.856 235 D CB 0.164 40.891 40.800 -0.122 0.000 0.922 235 D HN 0.269 nan 8.370 nan 0.000 0.518 236 G N 1.067 109.578 108.800 -0.482 0.000 2.157 236 G HA2 -0.230 3.731 3.960 0.001 0.000 0.239 236 G HA3 -0.230 3.731 3.960 0.001 0.000 0.239 236 G C -0.050 174.120 174.900 -1.217 0.000 0.982 236 G CA -0.265 44.257 45.100 -0.964 0.000 0.650 236 G HN 0.190 nan 8.290 nan 0.000 0.527 237 D N 0.537 120.485 120.400 -0.754 0.000 2.563 237 D HA 0.486 5.126 4.640 0.001 0.000 0.222 237 D C 1.389 177.446 176.300 -0.406 0.000 1.145 237 D CA -0.614 53.093 54.000 -0.488 0.000 1.001 237 D CB -0.380 40.269 40.800 -0.252 0.000 1.049 237 D HN 0.162 nan 8.370 nan 0.000 0.515 238 F N 0.400 120.249 119.950 -0.167 0.000 2.171 238 F HA -0.113 4.414 4.527 0.001 0.000 0.300 238 F C 2.019 177.851 175.800 0.054 0.000 1.090 238 F CA 0.290 58.221 58.000 -0.115 0.000 1.293 238 F CB -0.473 38.428 39.000 -0.165 0.000 1.013 238 F HN 0.272 nan 8.300 nan 0.000 0.486 239 L N 0.387 121.711 121.223 0.167 0.000 2.068 239 L HA -0.002 4.338 4.340 0.001 0.000 0.204 239 L C 2.386 179.309 176.870 0.089 0.000 1.076 239 L CA 1.602 56.523 54.840 0.135 0.000 0.753 239 L CB -0.585 41.527 42.059 0.089 0.000 0.910 239 L HN -0.070 nan 8.230 nan 0.000 0.439 240 R N -0.303 120.213 120.500 0.027 0.000 2.193 240 R HA -0.038 4.303 4.340 0.001 0.000 0.229 240 R C 2.083 178.378 176.300 -0.008 0.000 1.110 240 R CA 0.930 57.029 56.100 -0.002 0.000 0.988 240 R CB -0.552 29.725 30.300 -0.039 0.000 0.871 240 R HN 0.511 nan 8.270 nan 0.000 0.458 241 A N 1.315 124.135 122.820 0.001 0.000 2.070 241 A HA -0.134 4.187 4.320 0.001 0.000 0.220 241 A C 1.456 179.025 177.584 -0.026 0.000 1.159 241 A CA 1.188 53.177 52.037 -0.080 0.000 0.656 241 A CB -0.006 18.969 19.000 -0.041 0.000 0.800 241 A HN 0.165 nan 8.150 nan 0.000 0.453 242 E N -0.773 119.499 120.200 0.120 0.000 2.463 242 E HA -0.024 4.327 4.350 0.001 0.000 0.193 242 E C 1.610 178.275 176.600 0.108 0.000 1.041 242 E CA 0.343 56.849 56.400 0.177 0.000 0.879 242 E CB 0.104 29.936 29.700 0.220 0.000 0.997 242 E HN 0.790 nan 8.360 nan 0.000 0.478 243 Q N 1.559 121.393 119.800 0.056 0.000 2.135 243 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 243 Q C 2.119 178.142 176.000 0.039 0.000 0.981 243 Q CA 1.853 57.678 55.803 0.035 0.000 0.856 243 Q CB 0.012 28.752 28.738 0.004 0.000 0.902 243 Q HN 0.269 nan 8.270 nan 0.000 0.425 244 Q N -1.225 118.596 119.800 0.035 0.000 2.079 244 Q HA -0.081 4.259 4.340 0.001 0.000 0.200 244 Q C 1.914 177.989 176.000 0.126 0.000 0.974 244 Q CA 1.545 57.374 55.803 0.044 0.000 0.840 244 Q CB -0.538 28.135 28.738 -0.110 0.000 0.898 244 Q HN 0.538 nan 8.270 nan 0.000 0.430 245 G N 0.880 109.751 108.800 0.119 0.000 2.446 245 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 245 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 245 G C 1.368 176.362 174.900 0.156 0.000 1.168 245 G CA 1.003 46.207 45.100 0.173 0.000 0.771 245 G HN 0.378 nan 8.290 nan 0.000 0.551 246 I N 1.016 121.657 120.570 0.120 0.000 2.208 246 I HA -0.191 3.980 4.170 0.001 0.000 0.245 246 I C 2.464 178.628 176.117 0.079 0.000 1.097 246 I CA 0.846 62.202 61.300 0.094 0.000 1.363 246 I CB -0.196 37.852 38.000 0.079 0.000 1.051 246 I HN 0.058 nan 8.210 nan 0.000 0.413 247 N N 0.807 119.546 118.700 0.065 0.000 2.205 247 N HA -0.140 4.601 4.740 0.001 0.000 0.186 247 N C 1.753 177.325 175.510 0.104 0.000 1.015 247 N CA 1.561 54.599 53.050 -0.020 0.000 0.862 247 N CB -0.236 38.089 38.487 -0.270 0.000 0.986 247 N HN 0.418 nan 8.380 nan 0.000 0.429 248 A N 1.071 124.072 122.820 0.302 0.000 1.861 248 A HA -0.008 4.312 4.320 0.001 0.000 0.212 248 A C 1.936 179.554 177.584 0.057 0.000 1.199 248 A CA 0.836 53.040 52.037 0.279 0.000 0.613 248 A CB -0.442 18.741 19.000 0.306 0.000 0.846 248 A HN 0.256 nan 8.150 nan 0.000 0.446 249 E N 0.510 120.750 120.200 0.066 0.000 2.331 249 E HA -0.212 4.138 4.350 0.001 0.000 0.199 249 E C 1.762 178.373 176.600 0.017 0.000 1.008 249 E CA 1.277 57.686 56.400 0.015 0.000 0.843 249 E CB -0.194 29.528 29.700 0.036 0.000 0.761 249 E HN 0.815 nan 8.360 nan 0.000 0.507 250 K N 0.951 121.372 120.400 0.035 0.000 2.365 250 K HA -0.076 4.244 4.320 0.001 0.000 0.199 250 K C 1.758 178.389 176.600 0.052 0.000 1.045 250 K CA 0.744 57.064 56.287 0.055 0.000 0.962 250 K CB -0.034 32.494 32.500 0.047 0.000 0.759 250 K HN 0.164 nan 8.250 nan 0.000 0.469 251 L N 1.837 123.054 121.223 -0.009 0.000 2.217 251 L HA -0.042 4.298 4.340 0.001 0.000 0.211 251 L C 1.289 178.197 176.870 0.064 0.000 1.107 251 L CA 1.339 56.174 54.840 -0.008 0.000 0.783 251 L CB -0.391 41.556 42.059 -0.188 0.000 0.919 251 L HN 0.404 nan 8.230 nan 0.000 0.442 252 T N -4.960 109.612 114.554 0.031 0.000 3.313 252 T HA 0.223 4.574 4.350 0.001 0.000 0.263 252 T C 1.069 175.864 174.700 0.159 0.000 0.983 252 T CA -0.584 61.569 62.100 0.089 0.000 0.963 252 T CB 0.464 69.331 68.868 -0.002 0.000 1.141 252 T HN -0.041 nan 8.240 nan 0.000 0.526 253 K N 0.702 121.233 120.400 0.219 0.000 2.190 253 K HA 0.333 4.654 4.320 0.001 0.000 0.202 253 K C 0.420 177.219 176.600 0.332 0.000 1.045 253 K CA 0.521 56.957 56.287 0.248 0.000 0.976 253 K CB 0.514 33.163 32.500 0.249 0.000 0.849 253 K HN 0.326 nan 8.250 nan 0.000 0.468 254 V N 1.990 122.073 119.914 0.282 0.000 2.760 254 V HA 0.216 4.336 4.120 0.001 0.000 0.309 254 V C -0.979 175.024 176.094 -0.152 0.000 1.077 254 V CA -1.214 61.156 62.300 0.118 0.000 0.910 254 V CB 2.250 34.148 31.823 0.124 0.000 1.008 254 V HN 0.072 nan 8.190 nan 0.000 0.424 255 L N 5.811 126.657 121.223 -0.628 0.000 2.367 255 L HA 0.495 4.836 4.340 0.001 0.000 0.275 255 L C -0.397 176.258 176.870 -0.357 0.000 1.129 255 L CA 0.373 54.615 54.840 -0.997 0.000 0.839 255 L CB -0.510 40.822 42.059 -1.211 0.000 1.133 255 L HN 0.696 nan 8.230 nan 0.000 0.453 256 Y N 4.032 124.245 120.300 -0.144 0.000 3.001 256 Y HA -0.183 4.367 4.550 0.001 0.000 0.199 256 Y C -1.927 173.977 175.900 0.007 0.000 1.320 256 Y CA -0.057 58.018 58.100 -0.041 0.000 0.974 256 Y CB -2.499 35.942 38.460 -0.032 0.000 1.291 256 Y HN 0.550 nan 8.280 nan 0.000 0.465 257 P HA -0.017 nan 4.420 nan 0.000 0.269 257 P C 0.570 177.938 177.300 0.112 0.000 1.215 257 P CA -0.157 63.014 63.100 0.118 0.000 0.780 257 P CB 0.763 32.525 31.700 0.103 0.000 0.898 258 N N 2.285 121.034 118.700 0.082 0.000 2.294 258 N HA -0.113 4.627 4.740 0.001 0.000 0.263 258 N C 0.306 175.853 175.510 0.061 0.000 1.281 258 N CA 0.542 53.626 53.050 0.057 0.000 0.846 258 N CB -0.088 38.422 38.487 0.037 0.000 1.061 258 N HN 0.390 nan 8.380 nan 0.000 0.478 259 D N 1.525 121.956 120.400 0.052 0.000 2.501 259 D HA 0.052 4.693 4.640 0.001 0.000 0.224 259 D C 0.370 176.700 176.300 0.051 0.000 1.202 259 D CA -0.154 53.881 54.000 0.060 0.000 0.829 259 D CB -1.002 39.842 40.800 0.072 0.000 1.023 259 D HN 0.504 nan 8.370 nan 0.000 0.499 260 N N 0.095 118.824 118.700 0.048 0.000 2.364 260 N HA -0.035 4.706 4.740 0.001 0.000 0.183 260 N C 0.703 176.265 175.510 0.088 0.000 1.022 260 N CA 0.782 53.869 53.050 0.061 0.000 0.883 260 N CB 0.222 38.755 38.487 0.077 0.000 0.965 260 N HN 0.262 nan 8.380 nan 0.000 0.438 261 A N -0.208 122.669 122.820 0.096 0.000 2.313 261 A HA 0.344 4.665 4.320 0.001 0.000 0.323 261 A C 0.399 178.079 177.584 0.160 0.000 1.133 261 A CA -0.640 51.476 52.037 0.131 0.000 0.847 261 A CB 0.515 19.586 19.000 0.118 0.000 1.308 261 A HN 0.141 nan 8.150 nan 0.000 0.475 262 F N 0.102 120.090 119.950 0.064 0.000 2.171 262 F HA -0.105 4.422 4.527 0.001 0.000 0.300 262 F C 1.891 177.740 175.800 0.081 0.000 1.090 262 F CA 2.513 60.557 58.000 0.074 0.000 1.293 262 F CB 0.065 39.100 39.000 0.059 0.000 1.013 262 F HN 0.723 nan 8.300 nan 0.000 0.486 263 E N 0.042 120.243 120.200 0.001 0.000 2.150 263 E HA -0.018 4.332 4.350 0.001 0.000 0.193 263 E C 2.385 178.929 176.600 -0.093 0.000 0.985 263 E CA 1.225 57.571 56.400 -0.091 0.000 0.814 263 E CB -0.848 28.882 29.700 0.050 0.000 0.752 263 E HN 0.421 nan 8.360 nan 0.000 0.466 264 G N 0.336 109.123 108.800 -0.021 0.000 2.430 264 G HA2 -0.197 3.763 3.960 0.001 0.000 0.216 264 G HA3 -0.197 3.763 3.960 0.001 0.000 0.216 264 G C 1.429 176.349 174.900 0.032 0.000 1.146 264 G CA 0.480 45.593 45.100 0.023 0.000 0.793 264 G HN 0.176 nan 8.290 nan 0.000 0.537 265 K N 0.421 120.824 120.400 0.004 0.000 2.001 265 K HA -0.046 4.275 4.320 0.001 0.000 0.208 265 K C 2.398 179.041 176.600 0.070 0.000 1.048 265 K CA 1.262 57.618 56.287 0.114 0.000 0.932 265 K CB -0.184 32.389 32.500 0.122 0.000 0.715 265 K HN 0.255 nan 8.250 nan 0.000 0.437 266 K N 1.339 121.606 120.400 -0.221 0.000 2.103 266 K HA -0.173 4.148 4.320 0.001 0.000 0.207 266 K C 2.182 178.702 176.600 -0.134 0.000 1.048 266 K CA 0.951 57.082 56.287 -0.260 0.000 0.930 266 K CB -0.105 32.123 32.500 -0.453 0.000 0.716 266 K HN 0.001 nan 8.250 nan 0.000 0.444 267 L N 1.611 122.793 121.223 -0.069 0.000 2.083 267 L HA -0.134 4.206 4.340 0.001 0.000 0.209 267 L C 2.072 178.974 176.870 0.053 0.000 1.083 267 L CA 1.539 56.379 54.840 0.000 0.000 0.752 267 L CB -0.380 41.694 42.059 0.026 0.000 0.899 267 L HN 0.129 nan 8.230 nan 0.000 0.433 268 R N -0.546 120.015 120.500 0.101 0.000 2.081 268 R HA -0.135 4.206 4.340 0.001 0.000 0.235 268 R C 2.190 178.553 176.300 0.104 0.000 1.131 268 R CA 1.610 57.819 56.100 0.180 0.000 0.960 268 R CB -1.132 29.357 30.300 0.315 0.000 0.856 268 R HN 0.370 nan 8.270 nan 0.000 0.436 269 L N 1.013 122.157 121.223 -0.132 0.000 2.056 269 L HA -0.043 4.298 4.340 0.001 0.000 0.207 269 L C 2.294 179.080 176.870 -0.139 0.000 1.078 269 L CA 1.508 56.093 54.840 -0.426 0.000 0.749 269 L CB -0.368 41.047 42.059 -1.074 0.000 0.901 269 L HN 0.073 nan 8.230 nan 0.000 0.433 270 M N -1.259 118.303 119.600 -0.064 0.000 2.108 270 M HA -0.272 4.208 4.480 0.001 0.000 0.261 270 M C 2.271 178.674 176.300 0.172 0.000 1.066 270 M CA 1.865 57.211 55.300 0.076 0.000 1.107 270 M CB -0.537 32.097 32.600 0.057 0.000 1.356 270 M HN 0.378 nan 8.290 nan 0.000 0.406 271 Q N 0.167 120.061 119.800 0.156 0.000 2.050 271 Q HA -0.228 4.112 4.340 0.001 0.000 0.202 271 Q C 2.047 178.197 176.000 0.251 0.000 0.980 271 Q CA 1.586 57.528 55.803 0.231 0.000 0.840 271 Q CB -0.234 28.643 28.738 0.232 0.000 0.898 271 Q HN 0.634 nan 8.270 nan 0.000 0.424 272 Q N -0.591 119.325 119.800 0.193 0.000 2.119 272 Q HA -0.199 4.141 4.340 0.001 0.000 0.201 272 Q C 1.801 177.874 176.000 0.122 0.000 0.972 272 Q CA 1.386 57.295 55.803 0.177 0.000 0.847 272 Q CB -0.244 28.610 28.738 0.194 0.000 0.903 272 Q HN 0.392 nan 8.270 nan 0.000 0.433 273 Y N 0.612 120.917 120.300 0.009 0.000 2.200 273 Y HA -0.235 4.315 4.550 0.001 0.000 0.290 273 Y C 1.928 177.834 175.900 0.010 0.000 1.137 273 Y CA 1.065 59.136 58.100 -0.047 0.000 1.163 273 Y CB -0.454 37.944 38.460 -0.104 0.000 0.988 273 Y HN 0.115 nan 8.280 nan 0.000 0.518 274 F N 1.393 121.214 119.950 -0.215 0.000 2.069 274 F HA -0.269 4.259 4.527 0.001 0.000 0.298 274 F C 2.592 178.196 175.800 -0.326 0.000 1.113 274 F CA 2.506 60.336 58.000 -0.282 0.000 1.214 274 F CB -1.030 37.936 39.000 -0.056 0.000 0.978 274 F HN 0.247 nan 8.300 nan 0.000 0.474 275 Q N -0.238 119.384 119.800 -0.297 0.000 2.045 275 Q HA -0.256 4.084 4.340 0.001 0.000 0.206 275 Q C 2.409 178.173 176.000 -0.393 0.000 0.991 275 Q CA 2.790 58.421 55.803 -0.288 0.000 0.851 275 Q CB -0.675 28.115 28.738 0.086 0.000 0.911 275 Q HN 0.577 nan 8.270 nan 0.000 0.418 276 C N 0.036 119.176 119.300 -0.267 0.000 2.446 276 C HA -0.039 4.421 4.460 0.001 0.000 0.277 276 C C 2.867 177.630 174.990 -0.379 0.000 1.275 276 C CA 0.694 59.573 59.018 -0.231 0.000 1.727 276 C CB -1.335 26.355 27.740 -0.083 0.000 2.010 276 C HN 0.712 nan 8.230 nan 0.000 0.486 277 A N -0.700 121.759 122.820 -0.602 0.000 1.902 277 A HA -0.205 4.116 4.320 0.001 0.000 0.217 277 A C 2.143 179.363 177.584 -0.606 0.000 1.181 277 A CA 2.157 53.860 52.037 -0.558 0.000 0.623 277 A CB -1.089 17.446 19.000 -0.774 0.000 0.818 277 A HN 0.669 nan 8.150 nan 0.000 0.443 278 C N -0.757 117.952 119.300 -0.984 0.000 2.432 278 C HA -0.071 4.390 4.460 0.001 0.000 0.277 278 C C 3.289 177.677 174.990 -1.004 0.000 1.249 278 C CA 1.370 59.523 59.018 -1.443 0.000 1.725 278 C CB -1.262 24.742 27.740 -2.892 0.000 2.028 278 C HN 0.620 nan 8.230 nan 0.000 0.477 279 S N 0.577 115.830 115.700 -0.745 0.000 2.355 279 S HA -0.130 4.341 4.470 0.001 0.000 0.222 279 S C 1.953 176.294 174.600 -0.431 0.000 1.031 279 S CA 1.474 59.349 58.200 -0.542 0.000 0.993 279 S CB -0.422 62.451 63.200 -0.545 0.000 0.859 279 S HN 0.463 nan 8.310 nan 0.000 0.453 280 V N 2.344 122.083 119.914 -0.292 0.000 2.255 280 V HA -0.273 3.848 4.120 0.001 0.000 0.247 280 V C 2.706 178.723 176.094 -0.127 0.000 1.051 280 V CA 1.869 64.079 62.300 -0.152 0.000 1.018 280 V CB -1.329 30.464 31.823 -0.050 0.000 0.641 280 V HN 0.549 nan 8.190 nan 0.000 0.445 281 A N -0.082 122.642 122.820 -0.159 0.000 1.927 281 A HA -0.375 3.946 4.320 0.001 0.000 0.220 281 A C 2.042 179.605 177.584 -0.035 0.000 1.185 281 A CA 2.628 54.603 52.037 -0.103 0.000 0.639 281 A CB -0.846 18.062 19.000 -0.153 0.000 0.820 281 A HN 0.657 nan 8.150 nan 0.000 0.451 282 D N -0.625 119.774 120.400 -0.003 0.000 2.117 282 D HA -0.090 4.551 4.640 0.001 0.000 0.198 282 D C 1.743 178.122 176.300 0.132 0.000 0.982 282 D CA 1.353 55.452 54.000 0.166 0.000 0.828 282 D CB -0.189 40.890 40.800 0.465 0.000 0.967 282 D HN 0.494 nan 8.370 nan 0.000 0.464 283 I N 0.092 120.702 120.570 0.065 0.000 2.179 283 I HA -0.238 3.932 4.170 0.001 0.000 0.242 283 I C 2.289 178.424 176.117 0.030 0.000 1.088 283 I CA 0.734 62.070 61.300 0.060 0.000 1.357 283 I CB -0.204 37.792 38.000 -0.006 0.000 1.051 283 I HN 0.134 nan 8.210 nan 0.000 0.409 284 L N 0.155 121.378 121.223 0.001 0.000 2.083 284 L HA -0.203 4.138 4.340 0.001 0.000 0.209 284 L C 2.761 179.686 176.870 0.091 0.000 1.083 284 L CA 1.234 56.086 54.840 0.021 0.000 0.752 284 L CB -0.613 41.441 42.059 -0.008 0.000 0.899 284 L HN 0.246 nan 8.230 nan 0.000 0.433 285 R N 0.544 121.085 120.500 0.069 0.000 2.081 285 R HA -0.206 4.135 4.340 0.001 0.000 0.235 285 R C 2.495 178.852 176.300 0.095 0.000 1.131 285 R CA 1.577 57.725 56.100 0.081 0.000 0.960 285 R CB -0.160 30.173 30.300 0.056 0.000 0.856 285 R HN 0.205 nan 8.270 nan 0.000 0.436 286 R N -0.809 119.732 120.500 0.068 0.000 2.073 286 R HA -0.209 4.131 4.340 0.001 0.000 0.234 286 R C 2.268 178.569 176.300 0.001 0.000 1.134 286 R CA 2.087 58.197 56.100 0.017 0.000 0.952 286 R CB -0.460 29.833 30.300 -0.011 0.000 0.850 286 R HN 0.366 nan 8.270 nan 0.000 0.433 287 H N -0.220 118.803 119.070 -0.079 0.000 2.319 287 H HA -0.206 4.350 4.556 0.001 0.000 0.299 287 H C 2.135 177.389 175.328 -0.123 0.000 1.092 287 H CA 2.383 58.351 56.048 -0.133 0.000 1.302 287 H CB -0.364 29.331 29.762 -0.111 0.000 1.373 287 H HN 0.329 nan 8.280 nan 0.000 0.497 288 H N -0.022 119.025 119.070 -0.039 0.000 2.319 288 H HA -0.122 4.434 4.556 0.001 0.000 0.299 288 H C 2.134 177.388 175.328 -0.122 0.000 1.092 288 H CA 1.515 57.511 56.048 -0.086 0.000 1.302 288 H CB -0.182 29.570 29.762 -0.017 0.000 1.373 288 H HN 0.317 nan 8.280 nan 0.000 0.497 289 L N 0.858 122.033 121.223 -0.079 0.000 2.265 289 L HA -0.073 4.268 4.340 0.001 0.000 0.215 289 L C 2.461 179.202 176.870 -0.215 0.000 1.117 289 L CA 1.325 56.088 54.840 -0.129 0.000 0.782 289 L CB -1.210 40.823 42.059 -0.043 0.000 0.914 289 L HN 0.312 nan 8.230 nan 0.000 0.441 290 A N -1.254 121.410 122.820 -0.260 0.000 2.238 290 A HA 0.311 4.632 4.320 0.001 0.000 0.208 290 A C 1.670 179.052 177.584 -0.337 0.000 1.177 290 A CA 0.760 52.625 52.037 -0.287 0.000 0.804 290 A CB -0.315 18.489 19.000 -0.326 0.000 0.823 290 A HN 0.519 nan 8.150 nan 0.000 0.482 291 G N -0.685 107.887 108.800 -0.380 0.000 2.136 291 G HA2 -0.258 3.703 3.960 0.001 0.000 0.242 291 G HA3 -0.258 3.703 3.960 0.001 0.000 0.242 291 G C 0.264 174.930 174.900 -0.391 0.000 0.989 291 G CA 0.349 45.237 45.100 -0.354 0.000 0.682 291 G HN 0.642 nan 8.290 nan 0.000 0.522 292 R N -0.138 120.021 120.500 -0.569 0.000 2.532 292 R HA 0.576 4.917 4.340 0.001 0.000 0.272 292 R C 0.071 176.055 176.300 -0.528 0.000 1.032 292 R CA -0.716 54.952 56.100 -0.720 0.000 1.089 292 R CB 0.685 30.158 30.300 -1.379 0.000 1.098 292 R HN -0.025 nan 8.270 nan 0.000 0.526 293 K N 1.821 122.012 120.400 -0.348 0.000 2.118 293 K HA 0.108 4.429 4.320 0.001 0.000 0.267 293 K C 0.929 177.492 176.600 -0.060 0.000 0.991 293 K CA -0.630 55.539 56.287 -0.196 0.000 0.916 293 K CB 1.051 33.398 32.500 -0.254 0.000 1.041 293 K HN 0.293 nan 8.250 nan 0.000 0.455 294 L N 2.921 124.132 121.223 -0.019 0.000 2.042 294 L HA -0.214 4.127 4.340 0.001 0.000 0.210 294 L C 2.443 179.268 176.870 -0.074 0.000 1.076 294 L CA 1.954 56.767 54.840 -0.045 0.000 0.749 294 L CB -0.906 41.081 42.059 -0.120 0.000 0.893 294 L HN 0.811 nan 8.230 nan 0.000 0.432 295 H N -0.300 118.781 119.070 0.019 0.000 2.518 295 H HA -0.121 4.436 4.556 0.001 0.000 0.289 295 H C 1.144 176.493 175.328 0.034 0.000 1.051 295 H CA 1.284 57.338 56.048 0.011 0.000 1.280 295 H CB -0.297 29.476 29.762 0.019 0.000 1.380 295 H HN 0.688 nan 8.280 nan 0.000 0.566 296 E N 1.066 121.052 120.200 -0.357 0.000 2.465 296 E HA 0.089 4.440 4.350 0.001 0.000 0.195 296 E C 1.780 178.441 176.600 0.101 0.000 1.028 296 E CA -0.329 56.036 56.400 -0.058 0.000 0.899 296 E CB -0.032 29.645 29.700 -0.037 0.000 1.032 296 E HN 0.348 nan 8.360 nan 0.000 0.468 297 L N 1.166 122.323 121.223 -0.110 0.000 1.997 297 L HA -0.284 4.057 4.340 0.001 0.000 0.216 297 L C 2.534 179.316 176.870 -0.146 0.000 1.074 297 L CA 2.098 56.711 54.840 -0.380 0.000 0.763 297 L CB -0.502 41.292 42.059 -0.441 0.000 0.890 297 L HN 0.394 nan 8.230 nan 0.000 0.434 298 A N -0.736 122.003 122.820 -0.136 0.000 2.076 298 A HA -0.243 4.077 4.320 0.001 0.000 0.220 298 A C 1.712 179.232 177.584 -0.107 0.000 1.160 298 A CA 1.945 53.900 52.037 -0.137 0.000 0.653 298 A CB -0.505 18.392 19.000 -0.170 0.000 0.801 298 A HN 0.539 nan 8.150 nan 0.000 0.455 299 D N -2.002 118.356 120.400 -0.070 0.000 2.269 299 D HA -0.052 4.588 4.640 0.001 0.000 0.208 299 D C 0.897 177.017 176.300 -0.299 0.000 0.963 299 D CA 1.125 55.007 54.000 -0.198 0.000 0.864 299 D CB -0.122 40.521 40.800 -0.263 0.000 0.936 299 D HN 0.692 nan 8.370 nan 0.000 0.505 300 Y N -0.023 120.282 120.300 0.008 0.000 2.444 300 Y HA 0.221 4.771 4.550 0.001 0.000 0.252 300 Y C 0.577 176.503 175.900 0.044 0.000 1.091 300 Y CA 0.002 58.131 58.100 0.050 0.000 1.276 300 Y CB 1.069 39.606 38.460 0.128 0.000 1.170 300 Y HN -0.286 nan 8.280 nan 0.000 0.517 301 E N 0.289 120.563 120.200 0.123 0.000 2.331 301 E HA 0.507 4.858 4.350 0.001 0.000 0.275 301 E C -1.530 175.068 176.600 -0.002 0.000 0.895 301 E CA -0.650 55.791 56.400 0.069 0.000 0.753 301 E CB 3.202 32.900 29.700 -0.003 0.000 1.216 301 E HN -0.159 nan 8.360 nan 0.000 0.434 302 V N 3.123 123.043 119.914 0.011 0.000 2.841 302 V HA 0.581 4.702 4.120 0.001 0.000 0.310 302 V C -1.380 174.714 176.094 -0.000 0.000 1.090 302 V CA -0.631 61.690 62.300 0.034 0.000 0.930 302 V CB 1.734 33.645 31.823 0.146 0.000 1.014 302 V HN 0.608 nan 8.190 nan 0.000 0.425 303 I N 5.141 125.726 120.570 0.026 0.000 2.410 303 I HA 0.458 4.629 4.170 0.001 0.000 0.286 303 I C -0.756 175.482 176.117 0.201 0.000 1.009 303 I CA -0.605 60.736 61.300 0.069 0.000 1.111 303 I CB 1.846 39.823 38.000 -0.037 0.000 1.262 303 I HN 0.585 nan 8.210 nan 0.000 0.443 304 Q N 6.842 126.743 119.800 0.168 0.000 2.331 304 Q HA 0.498 4.839 4.340 0.001 0.000 0.257 304 Q C -1.295 174.759 176.000 0.090 0.000 0.957 304 Q CA -0.200 55.714 55.803 0.186 0.000 0.923 304 Q CB 1.120 30.004 28.738 0.243 0.000 1.212 304 Q HN 0.563 nan 8.270 nan 0.000 0.443 305 L N 3.944 125.264 121.223 0.162 0.000 2.260 305 L HA 0.482 4.823 4.340 0.001 0.000 0.289 305 L C -0.127 176.842 176.870 0.165 0.000 1.057 305 L CA -0.591 54.344 54.840 0.160 0.000 0.811 305 L CB 0.777 42.947 42.059 0.184 0.000 1.184 305 L HN 0.502 nan 8.230 nan 0.000 0.429 306 N N 4.073 122.830 118.700 0.096 0.000 2.457 306 N HA 0.217 4.957 4.740 0.001 0.000 0.250 306 N C -0.507 175.094 175.510 0.153 0.000 0.982 306 N CA -0.298 52.846 53.050 0.157 0.000 0.941 306 N CB 1.334 39.820 38.487 -0.001 0.000 1.120 306 N HN 0.625 nan 8.380 nan 0.000 0.505 307 D N -0.305 120.248 120.400 0.255 0.000 4.121 307 D HA -0.199 4.442 4.640 0.001 0.000 0.291 307 D C 1.083 177.506 176.300 0.205 0.000 2.247 307 D CA 1.559 55.667 54.000 0.180 0.000 1.125 307 D CB -0.226 40.468 40.800 -0.176 0.000 1.032 307 D HN 0.568 nan 8.370 nan 0.000 1.224 308 T N -3.595 110.995 114.554 0.060 0.000 3.081 308 T HA 0.025 4.376 4.350 0.001 0.000 0.255 308 T C 1.518 176.320 174.700 0.170 0.000 1.113 308 T CA 1.610 63.768 62.100 0.098 0.000 1.082 308 T CB -0.437 68.489 68.868 0.097 0.000 0.939 308 T HN 0.517 nan 8.240 nan 0.000 0.506 309 H N 2.961 122.171 119.070 0.234 0.000 2.330 309 H HA -0.068 4.489 4.556 0.001 0.000 0.290 309 H C -0.756 174.689 175.328 0.196 0.000 1.111 309 H CA 1.604 57.800 56.048 0.247 0.000 1.226 309 H CB -1.161 28.760 29.762 0.264 0.000 1.355 309 H HN 0.450 nan 8.280 nan 0.000 0.485 310 P HA 0.123 nan 4.420 nan 0.000 0.259 310 P C 0.408 177.734 177.300 0.043 0.000 1.530 310 P CA 0.356 63.546 63.100 0.151 0.000 1.022 310 P CB 0.489 32.280 31.700 0.151 0.000 1.514 311 T N 0.691 115.270 114.554 0.041 0.000 2.685 311 T HA -0.193 4.158 4.350 0.001 0.000 0.268 311 T C 1.586 176.232 174.700 -0.091 0.000 1.034 311 T CA 1.242 63.302 62.100 -0.067 0.000 1.149 311 T CB -0.744 68.122 68.868 -0.003 0.000 0.860 311 T HN 0.074 nan 8.240 nan 0.000 0.449 312 I N 1.402 121.971 120.570 -0.002 0.000 2.657 312 I HA -0.101 4.070 4.170 0.001 0.000 0.261 312 I C 2.315 178.437 176.117 0.009 0.000 1.212 312 I CA 0.394 61.698 61.300 0.006 0.000 1.453 312 I CB -0.464 37.542 38.000 0.010 0.000 1.092 312 I HN 0.203 nan 8.210 nan 0.000 0.452 313 A N 0.012 122.794 122.820 -0.064 0.000 2.015 313 A HA -0.135 4.186 4.320 0.001 0.000 0.219 313 A C 2.246 179.718 177.584 -0.187 0.000 1.163 313 A CA 1.517 53.525 52.037 -0.049 0.000 0.646 313 A CB -0.758 18.251 19.000 0.015 0.000 0.806 313 A HN 0.483 nan 8.150 nan 0.000 0.448 314 I N 0.446 120.716 120.570 -0.501 0.000 2.113 314 I HA -0.143 4.028 4.170 0.001 0.000 0.238 314 I C -0.348 175.727 176.117 -0.069 0.000 1.070 314 I CA 1.540 62.526 61.300 -0.524 0.000 1.332 314 I CB -0.880 36.781 38.000 -0.566 0.000 1.044 314 I HN 0.237 nan 8.210 nan 0.000 0.402 315 P HA -0.169 nan 4.420 nan 0.000 0.221 315 P C 1.276 178.679 177.300 0.172 0.000 1.150 315 P CA 1.445 64.625 63.100 0.133 0.000 0.800 315 P CB 0.034 31.844 31.700 0.184 0.000 0.787 316 E N 0.327 120.689 120.200 0.270 0.000 2.072 316 E HA -0.161 4.190 4.350 0.001 0.000 0.191 316 E C 1.903 178.615 176.600 0.188 0.000 0.985 316 E CA 0.776 57.374 56.400 0.331 0.000 0.801 316 E CB -1.210 28.709 29.700 0.365 0.000 0.750 316 E HN 0.020 nan 8.360 nan 0.000 0.452 317 L N 0.214 121.542 121.223 0.174 0.000 2.056 317 L HA -0.024 4.317 4.340 0.001 0.000 0.207 317 L C 2.143 179.061 176.870 0.080 0.000 1.078 317 L CA 1.583 56.508 54.840 0.142 0.000 0.749 317 L CB -0.674 41.524 42.059 0.231 0.000 0.901 317 L HN 0.291 nan 8.230 nan 0.000 0.433 318 L N -0.656 120.602 121.223 0.058 0.000 2.012 318 L HA -0.250 4.090 4.340 0.001 0.000 0.210 318 L C 2.802 179.687 176.870 0.025 0.000 1.073 318 L CA 1.693 56.528 54.840 -0.009 0.000 0.748 318 L CB -0.650 41.379 42.059 -0.051 0.000 0.891 318 L HN 0.312 nan 8.230 nan 0.000 0.431 319 R N 0.048 120.564 120.500 0.026 0.000 2.096 319 R HA -0.186 4.154 4.340 0.001 0.000 0.240 319 R C 2.209 178.555 176.300 0.076 0.000 1.139 319 R CA 2.050 58.156 56.100 0.009 0.000 0.952 319 R CB -0.308 29.922 30.300 -0.116 0.000 0.854 319 R HN 0.179 nan 8.270 nan 0.000 0.436 320 V N 1.170 121.148 119.914 0.107 0.000 2.295 320 V HA -0.250 3.871 4.120 0.001 0.000 0.246 320 V C 2.362 178.580 176.094 0.206 0.000 1.049 320 V CA 1.333 63.723 62.300 0.150 0.000 1.024 320 V CB -0.471 31.442 31.823 0.151 0.000 0.648 320 V HN 0.264 nan 8.190 nan 0.000 0.447 321 L N -0.662 120.648 121.223 0.144 0.000 1.994 321 L HA -0.139 4.202 4.340 0.001 0.000 0.208 321 L C 2.163 179.121 176.870 0.147 0.000 1.071 321 L CA 1.936 56.855 54.840 0.132 0.000 0.745 321 L CB -0.867 41.206 42.059 0.025 0.000 0.892 321 L HN 0.235 nan 8.230 nan 0.000 0.431 322 I N -0.831 119.802 120.570 0.106 0.000 2.193 322 I HA -0.230 3.941 4.170 0.001 0.000 0.240 322 I C 1.956 178.140 176.117 0.111 0.000 1.084 322 I CA 1.102 62.471 61.300 0.115 0.000 1.365 322 I CB -0.249 37.831 38.000 0.134 0.000 1.064 322 I HN 0.207 nan 8.210 nan 0.000 0.410 323 D N 0.389 120.849 120.400 0.099 0.000 2.162 323 D HA -0.107 4.534 4.640 0.001 0.000 0.203 323 D C 1.975 178.302 176.300 0.045 0.000 0.967 323 D CA 1.115 55.163 54.000 0.081 0.000 0.840 323 D CB -0.075 40.781 40.800 0.094 0.000 0.972 323 D HN 0.403 nan 8.370 nan 0.000 0.482 324 E N -0.759 119.454 120.200 0.023 0.000 2.364 324 E HA 0.039 4.390 4.350 0.001 0.000 0.196 324 E C 0.991 177.414 176.600 -0.296 0.000 0.990 324 E CA 0.347 56.671 56.400 -0.128 0.000 0.886 324 E CB 0.378 29.983 29.700 -0.159 0.000 0.866 324 E HN 0.373 nan 8.360 nan 0.000 0.493 325 H N 0.053 119.145 119.070 0.037 0.000 2.672 325 H HA 0.163 4.720 4.556 0.001 0.000 0.277 325 H C -0.074 175.281 175.328 0.045 0.000 1.074 325 H CA 0.141 56.212 56.048 0.037 0.000 1.173 325 H CB 0.866 30.649 29.762 0.035 0.000 1.558 325 H HN 0.023 nan 8.280 nan 0.000 0.539 326 Q N -0.070 119.799 119.800 0.116 0.000 2.461 326 Q HA -0.194 4.147 4.340 0.001 0.000 0.264 326 Q C -0.136 175.930 176.000 0.110 0.000 1.085 326 Q CA 0.662 56.523 55.803 0.097 0.000 1.006 326 Q CB -1.839 26.943 28.738 0.073 0.000 1.437 326 Q HN 0.503 nan 8.270 nan 0.000 0.514 327 M N 0.086 119.760 119.600 0.123 0.000 2.228 327 M HA 0.266 4.747 4.480 0.001 0.000 0.326 327 M C 0.913 177.282 176.300 0.114 0.000 1.122 327 M CA 0.030 55.394 55.300 0.106 0.000 1.161 327 M CB 0.920 33.573 32.600 0.088 0.000 1.437 327 M HN 0.291 nan 8.290 nan 0.000 0.465 328 S N 1.256 117.025 115.700 0.115 0.000 2.600 328 S HA 0.036 4.507 4.470 0.001 0.000 0.265 328 S C 0.844 175.555 174.600 0.185 0.000 1.325 328 S CA -0.789 57.503 58.200 0.155 0.000 1.002 328 S CB 0.651 63.936 63.200 0.142 0.000 0.921 328 S HN 0.954 nan 8.310 nan 0.000 0.554 329 W N 1.594 122.948 121.300 0.090 0.000 2.318 329 W HA -0.196 4.464 4.660 0.001 0.000 0.313 329 W C 0.906 177.517 176.519 0.155 0.000 1.221 329 W CA 2.268 59.681 57.345 0.112 0.000 1.266 329 W CB -0.774 28.726 29.460 0.067 0.000 1.150 329 W HN 0.755 nan 8.180 nan 0.000 0.496 330 D N 0.322 120.889 120.400 0.278 0.000 2.144 330 D HA -0.168 4.473 4.640 0.001 0.000 0.200 330 D C 1.595 177.974 176.300 0.132 0.000 0.978 330 D CA 1.648 55.779 54.000 0.218 0.000 0.833 330 D CB -0.634 40.294 40.800 0.213 0.000 0.961 330 D HN 0.152 nan 8.370 nan 0.000 0.470 331 D N 0.380 120.837 120.400 0.095 0.000 2.144 331 D HA -0.046 4.595 4.640 0.001 0.000 0.200 331 D C 2.013 178.325 176.300 0.020 0.000 0.978 331 D CA 1.046 55.085 54.000 0.064 0.000 0.833 331 D CB -0.238 40.601 40.800 0.064 0.000 0.961 331 D HN 0.120 nan 8.370 nan 0.000 0.470 332 A N 0.630 123.436 122.820 -0.023 0.000 1.930 332 A HA -0.155 4.166 4.320 0.001 0.000 0.217 332 A C 2.100 179.608 177.584 -0.126 0.000 1.175 332 A CA 0.883 52.868 52.037 -0.087 0.000 0.627 332 A CB -1.058 17.867 19.000 -0.125 0.000 0.815 332 A HN 0.417 nan 8.150 nan 0.000 0.443 333 W N 0.741 121.824 121.300 -0.361 0.000 2.436 333 W HA -0.075 4.586 4.660 0.001 0.000 0.284 333 W C 2.190 178.634 176.519 -0.124 0.000 1.225 333 W CA 1.460 58.620 57.345 -0.309 0.000 1.271 333 W CB -0.175 29.064 29.460 -0.367 0.000 1.114 333 W HN 0.426 nan 8.180 nan 0.000 0.559 334 A N 0.774 123.622 122.820 0.048 0.000 1.972 334 A HA -0.181 4.140 4.320 0.001 0.000 0.219 334 A C 1.987 179.514 177.584 -0.094 0.000 1.169 334 A CA 1.831 53.874 52.037 0.009 0.000 0.635 334 A CB -0.819 18.218 19.000 0.061 0.000 0.810 334 A HN 0.334 nan 8.150 nan 0.000 0.446 335 I N -0.321 120.179 120.570 -0.115 0.000 2.206 335 I HA -0.175 3.996 4.170 0.001 0.000 0.239 335 I C 2.920 178.902 176.117 -0.225 0.000 1.078 335 I CA 1.703 62.914 61.300 -0.148 0.000 1.367 335 I CB -0.664 37.260 38.000 -0.127 0.000 1.078 335 I HN 0.492 nan 8.210 nan 0.000 0.413 336 T N -1.194 113.203 114.554 -0.261 0.000 2.788 336 T HA -0.168 4.183 4.350 0.001 0.000 0.268 336 T C 1.920 176.456 174.700 -0.274 0.000 1.044 336 T CA 1.489 63.447 62.100 -0.236 0.000 1.139 336 T CB -0.840 67.942 68.868 -0.142 0.000 0.867 336 T HN 0.420 nan 8.240 nan 0.000 0.454 337 S N 1.000 116.366 115.700 -0.557 0.000 2.507 337 S HA 0.081 4.551 4.470 0.001 0.000 0.235 337 S C 1.657 176.177 174.600 -0.133 0.000 0.988 337 S CA 0.181 58.073 58.200 -0.514 0.000 0.944 337 S CB -0.238 62.501 63.200 -0.768 0.000 0.762 337 S HN 0.360 nan 8.310 nan 0.000 0.526 338 K N 0.439 120.763 120.400 -0.128 0.000 2.374 338 K HA 0.295 4.615 4.320 0.001 0.000 0.202 338 K C 0.892 177.420 176.600 -0.121 0.000 1.040 338 K CA 0.333 56.536 56.287 -0.140 0.000 1.085 338 K CB 0.369 32.742 32.500 -0.213 0.000 0.873 338 K HN 0.373 nan 8.250 nan 0.000 0.539 339 T N 0.012 114.531 114.554 -0.059 0.000 3.042 339 T HA 0.222 4.573 4.350 0.001 0.000 0.245 339 T C 0.142 174.815 174.700 -0.045 0.000 1.029 339 T CA 0.248 62.243 62.100 -0.174 0.000 1.120 339 T CB 0.091 68.665 68.868 -0.491 0.000 0.917 339 T HN -0.092 nan 8.240 nan 0.000 0.467 340 F N 1.845 121.881 119.950 0.144 0.000 2.408 340 F HA 0.692 5.219 4.527 0.001 0.000 0.344 340 F C 0.446 176.130 175.800 -0.193 0.000 1.112 340 F CA -1.355 56.657 58.000 0.020 0.000 1.096 340 F CB 0.776 39.727 39.000 -0.083 0.000 1.129 340 F HN 0.006 nan 8.300 nan 0.000 0.486 341 A N 3.078 125.885 122.820 -0.023 0.000 2.380 341 A HA 0.728 5.048 4.320 0.001 0.000 0.315 341 A C -2.184 175.425 177.584 0.042 0.000 1.101 341 A CA -0.647 51.207 52.037 -0.305 0.000 0.771 341 A CB 1.223 19.985 19.000 -0.398 0.000 1.287 341 A HN 0.671 nan 8.150 nan 0.000 0.436 342 Y N 0.698 120.911 120.300 -0.146 0.000 2.361 342 Y HA 0.622 5.173 4.550 0.001 0.000 0.337 342 Y C -0.528 175.371 175.900 -0.001 0.000 0.965 342 Y CA -0.451 57.611 58.100 -0.062 0.000 1.091 342 Y CB 1.989 40.373 38.460 -0.126 0.000 1.182 342 Y HN 0.559 nan 8.280 nan 0.000 0.450 343 T N 6.955 121.229 114.554 -0.467 0.000 2.771 343 T HA 0.232 4.583 4.350 0.001 0.000 0.281 343 T C -0.685 173.510 174.700 -0.841 0.000 0.982 343 T CA -0.797 60.989 62.100 -0.524 0.000 0.978 343 T CB 0.304 69.064 68.868 -0.180 0.000 0.930 343 T HN 0.685 nan 8.240 nan 0.000 0.447 344 N N 2.172 120.453 118.700 -0.699 0.000 2.434 344 N HA 0.104 4.845 4.740 0.001 0.000 0.272 344 N C 0.218 175.650 175.510 -0.130 0.000 1.040 344 N CA -0.361 52.526 53.050 -0.273 0.000 0.956 344 N CB 0.648 39.156 38.487 0.034 0.000 1.108 344 N HN 0.660 nan 8.380 nan 0.000 0.481 345 H N 1.553 120.643 119.070 0.034 0.000 2.705 345 H HA 0.120 4.676 4.556 0.001 0.000 0.269 345 H C -0.077 175.159 175.328 -0.152 0.000 0.998 345 H CA 0.301 56.336 56.048 -0.022 0.000 1.193 345 H CB 1.122 30.876 29.762 -0.014 0.000 1.485 345 H HN 0.522 nan 8.280 nan 0.000 0.521 346 T N -0.068 114.489 114.554 0.005 0.000 3.047 346 T HA 0.203 4.554 4.350 0.001 0.000 0.340 346 T C 0.352 175.057 174.700 0.009 0.000 1.421 346 T CA -0.612 61.432 62.100 -0.094 0.000 1.090 346 T CB 0.824 69.642 68.868 -0.083 0.000 1.292 346 T HN 0.045 nan 8.240 nan 0.000 0.480 347 L N 2.849 124.051 121.223 -0.036 0.000 2.552 347 L HA 0.234 4.575 4.340 0.001 0.000 0.227 347 L C 1.343 178.171 176.870 -0.070 0.000 1.146 347 L CA 0.169 54.994 54.840 -0.025 0.000 0.858 347 L CB -0.194 41.844 42.059 -0.035 0.000 0.969 347 L HN 0.500 nan 8.230 nan 0.000 0.451 348 M N 0.351 119.883 119.600 -0.113 0.000 2.252 348 M HA 0.043 4.524 4.480 0.001 0.000 0.333 348 M C -1.089 175.198 176.300 -0.022 0.000 1.111 348 M CA -1.302 53.952 55.300 -0.077 0.000 1.140 348 M CB 0.069 32.615 32.600 -0.090 0.000 1.538 348 M HN -0.269 nan 8.290 nan 0.000 0.448 349 P HA -0.215 nan 4.420 nan 0.000 0.215 349 P C 1.097 178.384 177.300 -0.022 0.000 1.157 349 P CA 1.562 64.655 63.100 -0.012 0.000 0.874 349 P CB -0.177 31.516 31.700 -0.010 0.000 0.790 350 E N -0.224 119.965 120.200 -0.018 0.000 2.396 350 E HA -0.140 4.211 4.350 0.001 0.000 0.200 350 E C 1.482 178.080 176.600 -0.004 0.000 1.023 350 E CA 1.531 57.911 56.400 -0.033 0.000 0.857 350 E CB -0.902 28.775 29.700 -0.038 0.000 0.775 350 E HN 0.202 nan 8.360 nan 0.000 0.525 351 A N 0.933 123.760 122.820 0.012 0.000 2.195 351 A HA 0.244 4.565 4.320 0.001 0.000 0.210 351 A C 1.374 178.988 177.584 0.051 0.000 1.165 351 A CA -0.200 51.854 52.037 0.028 0.000 0.806 351 A CB 0.084 19.108 19.000 0.039 0.000 0.847 351 A HN 0.166 nan 8.150 nan 0.000 0.482 352 L N 1.754 122.998 121.223 0.036 0.000 2.603 352 L HA 0.268 4.609 4.340 0.001 0.000 0.242 352 L C -0.605 176.247 176.870 -0.030 0.000 1.169 352 L CA -0.342 54.530 54.840 0.053 0.000 1.029 352 L CB 0.439 42.536 42.059 0.063 0.000 1.361 352 L HN 0.260 nan 8.230 nan 0.000 0.439 353 E N 1.960 122.124 120.200 -0.060 0.000 2.373 353 E HA 0.306 4.656 4.350 0.001 0.000 0.267 353 E C -0.297 176.100 176.600 -0.338 0.000 1.032 353 E CA -0.051 56.199 56.400 -0.251 0.000 0.889 353 E CB 0.968 30.525 29.700 -0.239 0.000 0.984 353 E HN 0.365 nan 8.360 nan 0.000 0.425 354 R N 2.319 122.501 120.500 -0.529 0.000 2.599 354 R HA 0.390 4.730 4.340 0.001 0.000 0.295 354 R C -1.287 174.644 176.300 -0.616 0.000 0.963 354 R CA -0.700 55.102 56.100 -0.496 0.000 0.883 354 R CB 1.307 31.335 30.300 -0.453 0.000 1.171 354 R HN 0.469 nan 8.270 nan 0.000 0.450 355 W N 1.469 122.731 121.300 -0.062 0.000 2.632 355 W HA 0.280 4.941 4.660 0.001 0.000 0.328 355 W C -0.388 176.131 176.519 -0.001 0.000 1.044 355 W CA -0.736 56.602 57.345 -0.012 0.000 1.225 355 W CB 1.258 30.721 29.460 0.005 0.000 1.396 355 W HN 0.317 nan 8.180 nan 0.000 0.499 356 D N 1.503 122.061 120.400 0.263 0.000 2.493 356 D HA -0.038 4.603 4.640 0.001 0.000 0.240 356 D C 1.195 177.606 176.300 0.186 0.000 1.142 356 D CA 0.260 54.371 54.000 0.185 0.000 0.872 356 D CB 1.636 42.545 40.800 0.182 0.000 1.173 356 D HN 0.138 nan 8.370 nan 0.000 0.467 357 V N 3.350 123.347 119.914 0.138 0.000 2.392 357 V HA -0.324 3.797 4.120 0.001 0.000 0.249 357 V C 2.293 178.446 176.094 0.097 0.000 1.059 357 V CA 2.355 64.724 62.300 0.115 0.000 1.051 357 V CB -0.475 31.406 31.823 0.098 0.000 0.658 357 V HN 0.634 nan 8.190 nan 0.000 0.455 358 K N 0.701 121.161 120.400 0.101 0.000 2.217 358 K HA -0.112 4.208 4.320 0.001 0.000 0.202 358 K C 2.009 178.675 176.600 0.111 0.000 1.051 358 K CA 1.640 57.981 56.287 0.091 0.000 0.952 358 K CB -0.521 32.026 32.500 0.078 0.000 0.736 358 K HN 0.430 nan 8.250 nan 0.000 0.453 359 L N 0.779 122.094 121.223 0.154 0.000 2.005 359 L HA -0.128 4.213 4.340 0.001 0.000 0.207 359 L C 2.034 178.931 176.870 0.045 0.000 1.072 359 L CA 1.058 55.992 54.840 0.157 0.000 0.744 359 L CB -0.177 42.020 42.059 0.230 0.000 0.895 359 L HN 0.103 nan 8.230 nan 0.000 0.433 360 V N 0.318 120.251 119.914 0.031 0.000 2.255 360 V HA -0.369 3.751 4.120 0.001 0.000 0.247 360 V C 2.569 178.632 176.094 -0.051 0.000 1.051 360 V CA 2.375 64.640 62.300 -0.058 0.000 1.018 360 V CB -0.773 31.035 31.823 -0.025 0.000 0.641 360 V HN 0.486 nan 8.190 nan 0.000 0.445 361 K N 0.287 120.687 120.400 -0.001 0.000 2.074 361 K HA -0.188 4.133 4.320 0.001 0.000 0.209 361 K C 2.119 178.720 176.600 0.003 0.000 1.048 361 K CA 1.781 58.066 56.287 -0.003 0.000 0.926 361 K CB -0.630 31.885 32.500 0.025 0.000 0.713 361 K HN 0.529 nan 8.250 nan 0.000 0.444 362 G N 0.397 109.214 108.800 0.028 0.000 2.403 362 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 362 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 362 G C 1.272 176.195 174.900 0.039 0.000 1.154 362 G CA 0.260 45.390 45.100 0.049 0.000 0.784 362 G HN 0.138 nan 8.290 nan 0.000 0.538 363 L N -0.392 120.825 121.223 -0.010 0.000 2.127 363 L HA 0.426 4.767 4.340 0.001 0.000 0.203 363 L C 1.052 177.881 176.870 -0.070 0.000 1.080 363 L CA 1.013 55.833 54.840 -0.033 0.000 0.768 363 L CB -0.346 41.643 42.059 -0.116 0.000 0.924 363 L HN 0.084 nan 8.230 nan 0.000 0.444 364 L N 0.902 122.019 121.223 -0.176 0.000 2.529 364 L HA 0.251 4.592 4.340 0.001 0.000 0.246 364 L C -1.604 175.094 176.870 -0.287 0.000 1.394 364 L CA -0.849 53.795 54.840 -0.326 0.000 0.906 364 L CB 1.369 43.090 42.059 -0.564 0.000 1.170 364 L HN -0.075 nan 8.230 nan 0.000 0.501 365 P HA -0.171 nan 4.420 nan 0.000 0.217 365 P C 1.446 178.572 177.300 -0.291 0.000 1.150 365 P CA 1.008 63.994 63.100 -0.191 0.000 0.832 365 P CB 0.429 32.082 31.700 -0.079 0.000 0.787 366 R N 0.061 120.197 120.500 -0.607 0.000 2.075 366 R HA -0.138 4.203 4.340 0.001 0.000 0.232 366 R C 2.301 178.355 176.300 -0.410 0.000 1.126 366 R CA 1.718 57.507 56.100 -0.518 0.000 0.963 366 R CB -1.712 28.183 30.300 -0.676 0.000 0.858 366 R HN 0.242 nan 8.270 nan 0.000 0.435 367 H N -1.048 117.759 119.070 -0.437 0.000 2.387 367 H HA -0.047 4.510 4.556 0.001 0.000 0.299 367 H C 1.671 176.923 175.328 -0.127 0.000 1.090 367 H CA 1.828 57.729 56.048 -0.245 0.000 1.332 367 H CB -0.192 29.391 29.762 -0.300 0.000 1.386 367 H HN 0.127 nan 8.280 nan 0.000 0.516 368 M N 0.769 120.355 119.600 -0.023 0.000 2.159 368 M HA -0.192 4.289 4.480 0.001 0.000 0.263 368 M C 1.823 178.135 176.300 0.021 0.000 1.063 368 M CA 1.594 56.898 55.300 0.007 0.000 1.110 368 M CB -0.124 32.473 32.600 -0.005 0.000 1.374 368 M HN 0.249 nan 8.290 nan 0.000 0.411 369 Q N -0.383 119.409 119.800 -0.013 0.000 2.030 369 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 369 Q C 2.126 178.151 176.000 0.042 0.000 0.986 369 Q CA 2.106 57.911 55.803 0.003 0.000 0.843 369 Q CB -0.422 28.305 28.738 -0.018 0.000 0.904 369 Q HN 0.551 nan 8.270 nan 0.000 0.420 370 I N 0.550 121.159 120.570 0.064 0.000 2.208 370 I HA -0.314 3.857 4.170 0.001 0.000 0.245 370 I C 2.249 178.508 176.117 0.236 0.000 1.097 370 I CA 1.222 62.640 61.300 0.197 0.000 1.363 370 I CB -0.311 37.795 38.000 0.175 0.000 1.051 370 I HN 0.228 nan 8.210 nan 0.000 0.413 371 I N 0.605 121.277 120.570 0.169 0.000 2.226 371 I HA -0.287 3.883 4.170 0.001 0.000 0.245 371 I C 2.216 178.432 176.117 0.165 0.000 1.100 371 I CA 1.192 62.602 61.300 0.182 0.000 1.374 371 I CB -0.514 37.573 38.000 0.145 0.000 1.057 371 I HN 0.308 nan 8.210 nan 0.000 0.413 372 N N 0.708 119.479 118.700 0.117 0.000 2.166 372 N HA -0.240 4.501 4.740 0.001 0.000 0.186 372 N C 1.755 177.296 175.510 0.052 0.000 1.019 372 N CA 1.348 54.456 53.050 0.096 0.000 0.856 372 N CB -0.196 38.327 38.487 0.061 0.000 0.993 372 N HN 0.468 nan 8.380 nan 0.000 0.426 373 E N 0.591 120.786 120.200 -0.007 0.000 2.072 373 E HA -0.041 4.309 4.350 0.001 0.000 0.190 373 E C 2.003 178.498 176.600 -0.174 0.000 0.982 373 E CA 0.625 56.904 56.400 -0.202 0.000 0.803 373 E CB -0.055 29.396 29.700 -0.415 0.000 0.755 373 E HN 0.273 nan 8.360 nan 0.000 0.453 374 I N 1.192 121.815 120.570 0.088 0.000 2.163 374 I HA -0.301 3.869 4.170 0.001 0.000 0.243 374 I C 2.475 178.711 176.117 0.198 0.000 1.085 374 I CA 1.450 62.866 61.300 0.194 0.000 1.347 374 I CB -0.510 37.698 38.000 0.347 0.000 1.044 374 I HN 0.241 nan 8.210 nan 0.000 0.408 375 N N 0.502 119.352 118.700 0.249 0.000 2.069 375 N HA -0.176 4.565 4.740 0.001 0.000 0.191 375 N C 1.767 177.485 175.510 0.346 0.000 1.031 375 N CA 2.175 55.457 53.050 0.387 0.000 0.852 375 N CB -0.194 38.503 38.487 0.351 0.000 1.018 375 N HN 0.173 nan 8.380 nan 0.000 0.423 376 T N 0.277 114.918 114.554 0.146 0.000 2.684 376 T HA -0.110 4.240 4.350 0.001 0.000 0.267 376 T C 1.885 176.571 174.700 -0.024 0.000 1.036 376 T CA 1.341 63.453 62.100 0.021 0.000 1.148 376 T CB -0.203 68.632 68.868 -0.055 0.000 0.863 376 T HN 0.294 nan 8.240 nan 0.000 0.436 377 R N -0.095 120.376 120.500 -0.048 0.000 2.096 377 R HA -0.016 4.325 4.340 0.001 0.000 0.235 377 R C 2.177 178.542 176.300 0.108 0.000 1.127 377 R CA 1.231 57.297 56.100 -0.057 0.000 0.968 377 R CB -0.484 29.704 30.300 -0.187 0.000 0.861 377 R HN 0.296 nan 8.270 nan 0.000 0.440 378 F N 2.211 122.206 119.950 0.074 0.000 2.171 378 F HA -0.135 4.393 4.527 0.001 0.000 0.300 378 F C 2.055 177.980 175.800 0.209 0.000 1.090 378 F CA 1.327 59.463 58.000 0.226 0.000 1.293 378 F CB -0.212 39.016 39.000 0.381 0.000 1.013 378 F HN -0.186 nan 8.300 nan 0.000 0.486 379 K N -0.499 119.885 120.400 -0.026 0.000 2.218 379 K HA -0.186 4.134 4.320 0.001 0.000 0.205 379 K C 1.844 178.212 176.600 -0.386 0.000 1.046 379 K CA 1.786 57.713 56.287 -0.599 0.000 0.933 379 K CB -0.233 31.755 32.500 -0.855 0.000 0.728 379 K HN 0.294 nan 8.250 nan 0.000 0.454 380 T N 1.391 115.831 114.554 -0.191 0.000 2.777 380 T HA -0.153 4.197 4.350 0.001 0.000 0.266 380 T C 1.583 176.229 174.700 -0.089 0.000 1.040 380 T CA 1.155 63.179 62.100 -0.127 0.000 1.141 380 T CB -0.103 68.722 68.868 -0.071 0.000 0.868 380 T HN 0.184 nan 8.240 nan 0.000 0.444 381 L N 1.100 122.296 121.223 -0.045 0.000 2.156 381 L HA 0.142 4.482 4.340 0.001 0.000 0.208 381 L C 2.275 179.090 176.870 -0.091 0.000 1.095 381 L CA 1.177 56.011 54.840 -0.009 0.000 0.770 381 L CB -0.517 41.650 42.059 0.179 0.000 0.914 381 L HN 0.030 nan 8.230 nan 0.000 0.439 382 V N 0.666 120.456 119.914 -0.207 0.000 2.515 382 V HA -0.208 3.913 4.120 0.001 0.000 0.250 382 V C 2.645 178.776 176.094 0.061 0.000 1.058 382 V CA 1.571 63.863 62.300 -0.013 0.000 1.064 382 V CB -0.578 31.270 31.823 0.041 0.000 0.675 382 V HN 0.711 nan 8.190 nan 0.000 0.461 383 E N 1.929 122.082 120.200 -0.078 0.000 2.072 383 E HA -0.262 4.089 4.350 0.001 0.000 0.191 383 E C 2.096 178.669 176.600 -0.045 0.000 0.985 383 E CA 1.842 58.204 56.400 -0.064 0.000 0.801 383 E CB -0.704 28.915 29.700 -0.135 0.000 0.750 383 E HN 0.622 nan 8.360 nan 0.000 0.452 384 K N 0.467 120.823 120.400 -0.074 0.000 2.097 384 K HA -0.081 4.240 4.320 0.001 0.000 0.205 384 K C 1.637 178.148 176.600 -0.148 0.000 1.050 384 K CA 1.824 58.056 56.287 -0.090 0.000 0.938 384 K CB -0.549 31.903 32.500 -0.080 0.000 0.718 384 K HN 0.194 nan 8.250 nan 0.000 0.442 385 T N -0.086 114.334 114.554 -0.224 0.000 2.896 385 T HA -0.031 4.319 4.350 0.001 0.000 0.263 385 T C 0.264 174.603 174.700 -0.603 0.000 1.050 385 T CA 0.751 62.526 62.100 -0.541 0.000 1.140 385 T CB -0.000 68.346 68.868 -0.870 0.000 0.877 385 T HN 0.341 nan 8.240 nan 0.000 0.457 386 W N 2.219 123.481 121.300 -0.064 0.000 2.104 386 W HA 0.331 4.991 4.660 0.001 0.000 0.291 386 W C -3.126 173.364 176.519 -0.048 0.000 0.936 386 W CA -2.881 54.433 57.345 -0.050 0.000 1.856 386 W CB -0.164 29.268 29.460 -0.046 0.000 2.036 386 W HN 0.042 nan 8.180 nan 0.000 0.393 387 P HA -0.055 nan 4.420 nan 0.000 0.259 387 P C 1.148 178.479 177.300 0.051 0.000 1.163 387 P CA 2.141 65.264 63.100 0.039 0.000 0.760 387 P CB 0.351 32.052 31.700 0.003 0.000 0.762 388 G N 2.682 111.498 108.800 0.026 0.000 2.196 388 G HA2 -0.297 3.663 3.960 0.001 0.000 0.268 388 G HA3 -0.297 3.663 3.960 0.001 0.000 0.268 388 G C 0.319 175.243 174.900 0.040 0.000 0.975 388 G CA 0.289 45.401 45.100 0.019 0.000 0.648 388 G HN 0.653 nan 8.290 nan 0.000 0.538 389 D N 0.805 121.248 120.400 0.072 0.000 2.359 389 D HA 0.325 4.966 4.640 0.001 0.000 0.250 389 D C 1.416 177.754 176.300 0.062 0.000 1.264 389 D CA -0.294 53.740 54.000 0.057 0.000 0.911 389 D CB 0.467 41.301 40.800 0.058 0.000 1.056 389 D HN 0.231 nan 8.370 nan 0.000 0.499 390 E N 2.987 123.223 120.200 0.060 0.000 2.358 390 E HA -0.071 4.280 4.350 0.001 0.000 0.195 390 E C 1.404 178.036 176.600 0.053 0.000 1.010 390 E CA 0.463 56.929 56.400 0.110 0.000 0.856 390 E CB 0.242 30.010 29.700 0.113 0.000 0.795 390 E HN 0.392 nan 8.360 nan 0.000 0.504 391 K N 0.129 120.518 120.400 -0.018 0.000 2.057 391 K HA -0.045 4.276 4.320 0.001 0.000 0.206 391 K C 2.058 178.548 176.600 -0.183 0.000 1.050 391 K CA 0.597 56.831 56.287 -0.089 0.000 0.935 391 K CB -0.308 32.138 32.500 -0.090 0.000 0.715 391 K HN -0.079 nan 8.250 nan 0.000 0.439 392 V N 0.330 120.118 119.914 -0.209 0.000 2.270 392 V HA -0.240 3.881 4.120 0.001 0.000 0.245 392 V C 1.898 177.813 176.094 -0.298 0.000 1.043 392 V CA 1.681 63.756 62.300 -0.374 0.000 1.014 392 V CB -0.540 30.910 31.823 -0.622 0.000 0.645 392 V HN 0.558 nan 8.190 nan 0.000 0.447 393 W N 1.219 122.360 121.300 -0.266 0.000 2.305 393 W HA -0.333 4.328 4.660 0.001 0.000 0.308 393 W C 2.310 178.645 176.519 -0.306 0.000 1.226 393 W CA 2.247 59.463 57.345 -0.215 0.000 1.253 393 W CB -0.263 29.124 29.460 -0.121 0.000 1.146 393 W HN 0.311 nan 8.180 nan 0.000 0.507 394 A N 0.439 122.915 122.820 -0.572 0.000 2.019 394 A HA -0.231 4.089 4.320 0.001 0.000 0.219 394 A C 2.005 179.073 177.584 -0.860 0.000 1.164 394 A CA 1.968 53.364 52.037 -1.069 0.000 0.644 394 A CB -0.773 17.843 19.000 -0.641 0.000 0.805 394 A HN 0.418 nan 8.150 nan 0.000 0.449 395 K N -0.535 119.515 120.400 -0.583 0.000 2.076 395 K HA 0.127 4.448 4.320 0.001 0.000 0.204 395 K C 1.478 177.808 176.600 -0.449 0.000 1.051 395 K CA 0.942 56.955 56.287 -0.457 0.000 0.949 395 K CB -0.141 32.123 32.500 -0.392 0.000 0.726 395 K HN 0.473 nan 8.250 nan 0.000 0.443 396 L N 0.740 121.669 121.223 -0.489 0.000 2.567 396 L HA 0.228 4.569 4.340 0.001 0.000 0.225 396 L C 0.745 177.526 176.870 -0.148 0.000 1.119 396 L CA -0.476 54.213 54.840 -0.252 0.000 0.871 396 L CB -0.009 41.976 42.059 -0.124 0.000 1.036 396 L HN 0.085 nan 8.230 nan 0.000 0.459 397 A N 0.248 122.579 122.820 -0.814 0.000 2.483 397 A HA 0.194 4.515 4.320 0.001 0.000 0.238 397 A C 1.243 178.698 177.584 -0.215 0.000 1.070 397 A CA -0.056 51.384 52.037 -0.994 0.000 0.770 397 A CB 0.693 18.888 19.000 -1.341 0.000 1.008 397 A HN -0.016 nan 8.150 nan 0.000 0.497 398 V N 1.859 121.818 119.914 0.074 0.000 2.599 398 V HA -0.019 4.101 4.120 0.001 0.000 0.245 398 V C 0.559 176.796 176.094 0.237 0.000 1.046 398 V CA 1.157 63.569 62.300 0.186 0.000 1.065 398 V CB 0.044 32.003 31.823 0.227 0.000 0.703 398 V HN 0.559 nan 8.190 nan 0.000 0.464 399 V N 1.381 121.443 119.914 0.247 0.000 2.448 399 V HA 0.542 4.662 4.120 0.001 0.000 0.295 399 V C -0.591 175.681 176.094 0.296 0.000 1.025 399 V CA -0.507 61.961 62.300 0.280 0.000 0.859 399 V CB 1.351 33.319 31.823 0.242 0.000 0.988 399 V HN 0.473 nan 8.190 nan 0.000 0.431 400 H N 3.315 122.486 119.070 0.169 0.000 3.079 400 H HA 0.210 4.767 4.556 0.001 0.000 0.356 400 H C -0.615 174.803 175.328 0.150 0.000 1.221 400 H CA -0.435 55.666 56.048 0.089 0.000 1.185 400 H CB 2.105 31.790 29.762 -0.129 0.000 1.882 400 H HN 0.696 nan 8.280 nan 0.000 0.543 401 D N 3.603 123.759 120.400 -0.405 0.000 2.692 401 D HA -0.190 4.451 4.640 0.001 0.000 0.233 401 D C 0.155 176.457 176.300 0.003 0.000 1.172 401 D CA 1.557 55.461 54.000 -0.159 0.000 0.636 401 D CB -0.521 40.247 40.800 -0.053 0.000 1.028 401 D HN 0.678 nan 8.370 nan 0.000 0.419 402 K N -1.890 118.521 120.400 0.020 0.000 3.274 402 K HA -0.259 4.062 4.320 0.001 0.000 0.300 402 K C 0.071 176.725 176.600 0.089 0.000 1.230 402 K CA 1.163 57.484 56.287 0.057 0.000 0.884 402 K CB -1.541 30.983 32.500 0.039 0.000 1.242 402 K HN 0.617 nan 8.250 nan 0.000 0.467 403 Q N 0.066 119.937 119.800 0.118 0.000 2.394 403 Q HA 0.505 4.846 4.340 0.001 0.000 0.273 403 Q C -0.452 175.633 176.000 0.143 0.000 1.089 403 Q CA -0.910 54.948 55.803 0.092 0.000 0.812 403 Q CB 2.754 31.479 28.738 -0.022 0.000 1.353 403 Q HN -0.048 nan 8.270 nan 0.000 0.438 404 V N 2.105 122.091 119.914 0.119 0.000 2.432 404 V HA 0.161 4.282 4.120 0.001 0.000 0.275 404 V C -0.180 175.945 176.094 0.051 0.000 1.043 404 V CA -0.508 61.899 62.300 0.179 0.000 0.925 404 V CB 0.798 32.750 31.823 0.216 0.000 0.985 404 V HN 0.657 nan 8.190 nan 0.000 0.466 405 H N 6.493 125.631 119.070 0.115 0.000 2.787 405 H HA 0.219 4.775 4.556 0.001 0.000 0.275 405 H C 0.592 175.970 175.328 0.083 0.000 1.183 405 H CA -0.644 55.456 56.048 0.086 0.000 1.290 405 H CB 1.201 31.013 29.762 0.083 0.000 1.438 405 H HN 0.562 nan 8.280 nan 0.000 0.487 406 M N 1.352 121.020 119.600 0.114 0.000 2.149 406 M HA -0.123 4.358 4.480 0.001 0.000 0.261 406 M C 2.383 178.677 176.300 -0.010 0.000 1.064 406 M CA 0.955 56.308 55.300 0.088 0.000 1.102 406 M CB -0.951 31.733 32.600 0.140 0.000 1.369 406 M HN 0.597 nan 8.290 nan 0.000 0.408 407 A N 0.710 123.558 122.820 0.046 0.000 1.930 407 A HA -0.162 4.159 4.320 0.001 0.000 0.217 407 A C 2.034 179.580 177.584 -0.062 0.000 1.175 407 A CA 1.689 53.727 52.037 0.001 0.000 0.627 407 A CB -0.699 18.488 19.000 0.310 0.000 0.815 407 A HN 0.444 nan 8.150 nan 0.000 0.443 408 N N -0.098 118.672 118.700 0.117 0.000 2.120 408 N HA -0.142 4.599 4.740 0.001 0.000 0.188 408 N C 1.557 176.986 175.510 -0.135 0.000 1.024 408 N CA 1.446 54.541 53.050 0.077 0.000 0.852 408 N CB -0.584 38.056 38.487 0.256 0.000 1.003 408 N HN 0.414 nan 8.380 nan 0.000 0.424 409 L N 0.783 121.965 121.223 -0.069 0.000 2.046 409 L HA -0.110 4.231 4.340 0.001 0.000 0.208 409 L C 2.067 178.794 176.870 -0.239 0.000 1.077 409 L CA 1.501 56.288 54.840 -0.089 0.000 0.747 409 L CB -0.953 41.103 42.059 -0.004 0.000 0.896 409 L HN 0.160 nan 8.230 nan 0.000 0.432 410 C N -1.679 117.392 119.300 -0.381 0.000 2.432 410 C HA -0.147 4.314 4.460 0.001 0.000 0.277 410 C C 2.952 177.614 174.990 -0.547 0.000 1.249 410 C CA 1.137 59.816 59.018 -0.565 0.000 1.725 410 C CB -1.028 26.026 27.740 -1.143 0.000 2.028 410 C HN 0.602 nan 8.230 nan 0.000 0.477 411 V N 0.350 119.880 119.914 -0.639 0.000 2.515 411 V HA -0.087 4.034 4.120 0.001 0.000 0.250 411 V C 2.127 177.844 176.094 -0.628 0.000 1.058 411 V CA 2.254 64.153 62.300 -0.669 0.000 1.064 411 V CB -0.387 30.887 31.823 -0.916 0.000 0.675 411 V HN 0.412 nan 8.190 nan 0.000 0.461 412 V N 1.171 120.752 119.914 -0.556 0.000 2.548 412 V HA 0.048 4.169 4.120 0.001 0.000 0.249 412 V C 2.613 178.588 176.094 -0.199 0.000 1.055 412 V CA 1.867 63.898 62.300 -0.448 0.000 1.065 412 V CB -0.835 30.722 31.823 -0.443 0.000 0.681 412 V HN 0.658 nan 8.190 nan 0.000 0.462 413 G N -0.809 107.876 108.800 -0.192 0.000 2.939 413 G HA2 0.376 4.336 3.960 0.001 0.000 0.210 413 G HA3 0.376 4.336 3.960 0.001 0.000 0.210 413 G C 0.584 175.281 174.900 -0.339 0.000 1.160 413 G CA 0.668 45.623 45.100 -0.240 0.000 0.770 413 G HN 0.614 nan 8.290 nan 0.000 0.543 414 G N -0.558 108.071 108.800 -0.285 0.000 2.932 414 G HA2 0.469 4.430 3.960 0.001 0.000 0.283 414 G HA3 0.469 4.430 3.960 0.001 0.000 0.283 414 G C 0.169 174.951 174.900 -0.196 0.000 1.336 414 G CA -0.633 44.355 45.100 -0.187 0.000 1.056 414 G HN 0.254 nan 8.290 nan 0.000 0.522 415 F N -1.637 118.228 119.950 -0.143 0.000 2.704 415 F HA 0.752 5.280 4.527 0.001 0.000 0.304 415 F C 0.403 176.149 175.800 -0.089 0.000 1.094 415 F CA -0.456 57.459 58.000 -0.142 0.000 1.275 415 F CB 0.325 39.273 39.000 -0.087 0.000 1.073 415 F HN 0.567 nan 8.300 nan 0.000 0.586 416 A N 0.441 122.900 122.820 -0.601 0.000 2.566 416 A HA 0.726 5.047 4.320 0.001 0.000 0.297 416 A C -1.750 175.644 177.584 -0.317 0.000 1.059 416 A CA -0.648 51.157 52.037 -0.387 0.000 0.691 416 A CB 1.426 20.131 19.000 -0.491 0.000 1.282 416 A HN 0.059 nan 8.150 nan 0.000 0.401 417 V N 3.667 123.436 119.914 -0.242 0.000 2.638 417 V HA 0.625 4.746 4.120 0.001 0.000 0.306 417 V C -0.799 175.263 176.094 -0.054 0.000 1.052 417 V CA -0.706 61.467 62.300 -0.210 0.000 0.885 417 V CB 1.952 33.501 31.823 -0.456 0.000 0.999 417 V HN 1.067 nan 8.190 nan 0.000 0.424 418 N N 2.751 121.405 118.700 -0.077 0.000 2.357 418 N HA 0.632 5.373 4.740 0.001 0.000 0.284 418 N C -0.411 175.064 175.510 -0.058 0.000 1.236 418 N CA -0.354 52.684 53.050 -0.019 0.000 0.774 418 N CB 2.783 41.233 38.487 -0.060 0.000 1.534 418 N HN 0.676 nan 8.380 nan 0.000 0.478 419 G N -1.027 107.764 108.800 -0.016 0.000 2.521 419 G HA2 0.476 4.436 3.960 0.001 0.000 0.323 419 G HA3 0.476 4.436 3.960 0.001 0.000 0.323 419 G C 0.518 175.499 174.900 0.135 0.000 1.211 419 G CA -0.485 44.631 45.100 0.027 0.000 0.979 419 G HN 0.750 nan 8.290 nan 0.000 0.490 420 V N -3.806 116.309 119.914 0.335 0.000 3.159 420 V HA 0.725 4.846 4.120 0.001 0.000 0.333 420 V C 0.391 176.579 176.094 0.157 0.000 1.424 420 V CA 0.289 62.693 62.300 0.174 0.000 1.125 420 V CB -0.599 31.289 31.823 0.108 0.000 1.075 420 V HN 1.434 nan 8.190 nan 0.000 0.482 421 A N -0.613 122.310 122.820 0.172 0.000 2.599 421 A HA 0.870 5.190 4.320 0.001 0.000 0.294 421 A C 0.833 178.482 177.584 0.107 0.000 1.055 421 A CA 0.022 52.137 52.037 0.129 0.000 0.683 421 A CB 0.888 19.952 19.000 0.107 0.000 1.278 421 A HN 1.017 nan 8.150 nan 0.000 0.412 422 A N 0.514 123.378 122.820 0.074 0.000 1.873 422 A HA -0.108 4.213 4.320 0.001 0.000 0.218 422 A C 1.961 179.563 177.584 0.029 0.000 1.193 422 A CA 2.027 54.089 52.037 0.040 0.000 0.629 422 A CB -0.852 18.167 19.000 0.031 0.000 0.826 422 A HN 1.496 nan 8.150 nan 0.000 0.447 423 L N -1.258 119.989 121.223 0.041 0.000 2.017 423 L HA -0.228 4.113 4.340 0.001 0.000 0.208 423 L C 2.687 179.579 176.870 0.036 0.000 1.073 423 L CA 2.452 57.307 54.840 0.026 0.000 0.745 423 L CB -0.602 41.471 42.059 0.023 0.000 0.894 423 L HN 0.752 nan 8.230 nan 0.000 0.432 424 H N -0.856 118.198 119.070 -0.026 0.000 2.299 424 H HA -0.152 4.405 4.556 0.001 0.000 0.302 424 H C 2.189 177.500 175.328 -0.028 0.000 1.078 424 H CA 1.688 57.715 56.048 -0.035 0.000 1.323 424 H CB 0.235 29.979 29.762 -0.030 0.000 1.381 424 H HN 0.347 nan 8.280 nan 0.000 0.498 425 S N 0.173 115.772 115.700 -0.168 0.000 2.383 425 S HA -0.177 4.294 4.470 0.001 0.000 0.229 425 S C 1.726 176.234 174.600 -0.154 0.000 1.030 425 S CA 1.635 59.725 58.200 -0.184 0.000 1.002 425 S CB -0.350 62.824 63.200 -0.043 0.000 0.829 425 S HN 0.565 nan 8.310 nan 0.000 0.467 426 D N 0.871 121.203 120.400 -0.114 0.000 2.178 426 D HA -0.011 4.630 4.640 0.001 0.000 0.202 426 D C 1.748 177.957 176.300 -0.152 0.000 0.974 426 D CA 0.742 54.669 54.000 -0.121 0.000 0.841 426 D CB -0.090 40.663 40.800 -0.077 0.000 0.953 426 D HN 0.314 nan 8.370 nan 0.000 0.478 427 L N -0.482 120.650 121.223 -0.153 0.000 2.156 427 L HA -0.065 4.276 4.340 0.001 0.000 0.208 427 L C 2.422 179.169 176.870 -0.205 0.000 1.095 427 L CA 0.248 54.996 54.840 -0.153 0.000 0.770 427 L CB -0.217 41.782 42.059 -0.099 0.000 0.914 427 L HN 0.028 nan 8.230 nan 0.000 0.439 428 V N -0.588 119.161 119.914 -0.274 0.000 2.332 428 V HA -0.269 3.852 4.120 0.001 0.000 0.248 428 V C 2.395 178.414 176.094 -0.125 0.000 1.055 428 V CA 1.609 63.784 62.300 -0.209 0.000 1.038 428 V CB -0.256 31.475 31.823 -0.153 0.000 0.651 428 V HN 0.192 nan 8.190 nan 0.000 0.450 429 V N -0.737 119.051 119.914 -0.211 0.000 2.379 429 V HA -0.212 3.908 4.120 0.001 0.000 0.245 429 V C 2.397 178.306 176.094 -0.310 0.000 1.044 429 V CA 2.040 64.088 62.300 -0.421 0.000 1.036 429 V CB -0.442 30.995 31.823 -0.644 0.000 0.664 429 V HN 0.501 nan 8.190 nan 0.000 0.453 430 K N -0.771 119.491 120.400 -0.230 0.000 2.116 430 K HA -0.081 4.240 4.320 0.001 0.000 0.203 430 K C 1.599 178.119 176.600 -0.134 0.000 1.052 430 K CA 1.503 57.693 56.287 -0.162 0.000 0.952 430 K CB -0.002 32.420 32.500 -0.130 0.000 0.729 430 K HN 0.407 nan 8.250 nan 0.000 0.446 431 D N -0.670 119.640 120.400 -0.150 0.000 2.514 431 D HA -0.015 4.626 4.640 0.001 0.000 0.249 431 D C 1.494 177.683 176.300 -0.184 0.000 1.036 431 D CA 0.244 54.157 54.000 -0.144 0.000 0.911 431 D CB 0.145 40.866 40.800 -0.133 0.000 1.145 431 D HN -0.051 nan 8.370 nan 0.000 0.495 432 L N -0.531 120.532 121.223 -0.267 0.000 2.084 432 L HA 0.173 4.514 4.340 0.001 0.000 0.202 432 L C 0.201 176.776 176.870 -0.492 0.000 1.074 432 L CA 1.541 56.089 54.840 -0.486 0.000 0.757 432 L CB -0.086 41.537 42.059 -0.727 0.000 0.918 432 L HN -0.167 nan 8.230 nan 0.000 0.444 433 F N 0.376 120.365 119.950 0.064 0.000 2.761 433 F HA 0.414 4.942 4.527 0.001 0.000 0.367 433 F C -1.651 174.143 175.800 -0.010 0.000 1.386 433 F CA -2.272 55.816 58.000 0.147 0.000 1.177 433 F CB -0.396 38.899 39.000 0.491 0.000 1.092 433 F HN 0.043 nan 8.300 nan 0.000 0.517 434 P HA -0.147 nan 4.420 nan 0.000 0.217 434 P C 0.979 178.308 177.300 0.047 0.000 1.150 434 P CA 1.547 64.645 63.100 -0.003 0.000 0.832 434 P CB 0.486 32.156 31.700 -0.051 0.000 0.787 435 E N -0.759 119.414 120.200 -0.045 0.000 2.072 435 E HA -0.158 4.192 4.350 0.001 0.000 0.191 435 E C 2.128 178.793 176.600 0.107 0.000 0.985 435 E CA 1.151 57.512 56.400 -0.066 0.000 0.801 435 E CB -1.189 28.250 29.700 -0.435 0.000 0.750 435 E HN 0.283 nan 8.360 nan 0.000 0.452 436 Y N 0.322 120.767 120.300 0.241 0.000 2.224 436 Y HA -0.203 4.348 4.550 0.001 0.000 0.289 436 Y C 2.432 178.549 175.900 0.361 0.000 1.146 436 Y CA 1.456 59.758 58.100 0.336 0.000 1.182 436 Y CB -0.703 38.112 38.460 0.593 0.000 0.983 436 Y HN 0.328 nan 8.280 nan 0.000 0.524 437 H N 0.400 119.591 119.070 0.202 0.000 2.421 437 H HA -0.156 4.400 4.556 0.001 0.000 0.298 437 H C 1.548 176.923 175.328 0.078 0.000 1.087 437 H CA 1.697 57.702 56.048 -0.071 0.000 1.330 437 H CB 0.275 29.748 29.762 -0.481 0.000 1.388 437 H HN 0.486 nan 8.280 nan 0.000 0.526 438 Q N 0.119 119.944 119.800 0.040 0.000 2.119 438 Q HA -0.083 4.258 4.340 0.001 0.000 0.201 438 Q C 2.713 178.674 176.000 -0.066 0.000 0.972 438 Q CA 0.995 56.792 55.803 -0.010 0.000 0.847 438 Q CB 0.217 29.044 28.738 0.148 0.000 0.903 438 Q HN 0.436 nan 8.270 nan 0.000 0.433 439 L N -0.931 120.248 121.223 -0.072 0.000 2.027 439 L HA -0.103 4.237 4.340 0.001 0.000 0.206 439 L C 0.708 177.418 176.870 -0.266 0.000 1.074 439 L CA 0.730 55.352 54.840 -0.363 0.000 0.745 439 L CB 0.106 41.647 42.059 -0.863 0.000 0.898 439 L HN 0.359 nan 8.230 nan 0.000 0.433 440 W N -0.343 121.093 121.300 0.227 0.000 1.890 440 W HA 0.297 4.958 4.660 0.001 0.000 0.293 440 W C -1.842 174.805 176.519 0.213 0.000 0.895 440 W CA -1.852 55.618 57.345 0.208 0.000 1.968 440 W CB -0.462 29.147 29.460 0.247 0.000 2.198 440 W HN 0.021 nan 8.180 nan 0.000 0.401 441 P HA -0.185 nan 4.420 nan 0.000 0.218 441 P C 1.037 178.462 177.300 0.209 0.000 1.148 441 P CA 1.538 64.591 63.100 -0.078 0.000 0.822 441 P CB 0.434 31.974 31.700 -0.267 0.000 0.784 442 N N 0.282 119.094 118.700 0.187 0.000 2.515 442 N HA -0.066 4.675 4.740 0.001 0.000 0.185 442 N C 1.586 177.131 175.510 0.057 0.000 1.109 442 N CA 0.646 53.768 53.050 0.120 0.000 0.903 442 N CB -0.420 38.141 38.487 0.123 0.000 0.969 442 N HN 0.456 nan 8.380 nan 0.000 0.450 443 K N -0.578 119.905 120.400 0.137 0.000 2.426 443 K HA 0.068 4.388 4.320 0.001 0.000 0.193 443 K C -0.396 176.020 176.600 -0.307 0.000 1.028 443 K CA 0.073 56.341 56.287 -0.033 0.000 1.047 443 K CB 0.067 32.527 32.500 -0.067 0.000 0.821 443 K HN -0.154 nan 8.250 nan 0.000 0.513 444 F N 2.252 122.092 119.950 -0.184 0.000 2.408 444 F HA 0.378 4.906 4.527 0.001 0.000 0.344 444 F C 0.600 176.140 175.800 -0.434 0.000 1.112 444 F CA -0.485 57.433 58.000 -0.136 0.000 1.096 444 F CB 0.932 40.002 39.000 0.118 0.000 1.129 444 F HN 0.024 nan 8.300 nan 0.000 0.486 445 H N 0.993 120.142 119.070 0.131 0.000 2.960 445 H HA 0.301 4.857 4.556 0.001 0.000 0.338 445 H C -1.212 174.105 175.328 -0.019 0.000 1.261 445 H CA -1.084 54.981 56.048 0.028 0.000 1.136 445 H CB 2.336 32.058 29.762 -0.066 0.000 1.875 445 H HN 0.489 nan 8.280 nan 0.000 0.550 446 N N 0.638 119.392 118.700 0.089 0.000 2.314 446 N HA 0.374 5.114 4.740 0.001 0.000 0.304 446 N C -1.643 173.796 175.510 -0.118 0.000 1.073 446 N CA -0.393 52.653 53.050 -0.006 0.000 0.822 446 N CB 2.192 40.680 38.487 0.001 0.000 1.280 446 N HN 0.188 nan 8.380 nan 0.000 0.489 447 V N 2.335 122.148 119.914 -0.169 0.000 2.509 447 V HA 0.188 4.308 4.120 0.001 0.000 0.289 447 V C -0.119 175.951 176.094 -0.040 0.000 1.026 447 V CA -0.693 61.444 62.300 -0.270 0.000 0.872 447 V CB 1.333 32.693 31.823 -0.770 0.000 1.017 447 V HN 0.673 nan 8.190 nan 0.000 0.436 448 T N 4.596 119.161 114.554 0.017 0.000 2.916 448 T HA 0.146 4.496 4.350 0.001 0.000 0.303 448 T C 0.578 175.405 174.700 0.213 0.000 1.025 448 T CA 0.074 62.246 62.100 0.121 0.000 1.142 448 T CB 0.178 69.117 68.868 0.118 0.000 0.947 448 T HN 0.599 nan 8.240 nan 0.000 0.544 449 N N 1.069 119.927 118.700 0.263 0.000 2.297 449 N HA 0.465 5.206 4.740 0.001 0.000 0.232 449 N C 0.497 176.215 175.510 0.346 0.000 1.311 449 N CA 0.217 53.469 53.050 0.336 0.000 0.897 449 N CB 0.458 39.068 38.487 0.205 0.000 1.137 449 N HN 0.864 nan 8.380 nan 0.000 0.449 450 G N -1.304 107.722 108.800 0.376 0.000 2.682 450 G HA2 0.636 4.596 3.960 0.001 0.000 0.290 450 G HA3 0.636 4.596 3.960 0.001 0.000 0.290 450 G C -1.391 173.663 174.900 0.257 0.000 1.425 450 G CA -0.600 44.703 45.100 0.338 0.000 0.807 450 G HN 0.558 nan 8.290 nan 0.000 0.482 451 I N -2.513 118.195 120.570 0.229 0.000 2.865 451 I HA 0.772 4.942 4.170 0.001 0.000 0.302 451 I C -0.135 176.159 176.117 0.296 0.000 1.140 451 I CA -1.004 60.421 61.300 0.209 0.000 1.021 451 I CB 2.196 40.211 38.000 0.024 0.000 1.233 451 I HN 0.484 nan 8.210 nan 0.000 0.427 452 T N 4.096 118.885 114.554 0.392 0.000 2.794 452 T HA 0.489 4.839 4.350 0.001 0.000 0.296 452 T C -1.821 173.039 174.700 0.265 0.000 0.949 452 T CA -1.520 60.742 62.100 0.270 0.000 1.101 452 T CB 0.806 69.777 68.868 0.171 0.000 0.905 452 T HN 0.622 nan 8.240 nan 0.000 0.516 453 P HA 0.109 nan 4.420 nan 0.000 0.237 453 P C 1.059 178.395 177.300 0.059 0.000 1.178 453 P CA 0.205 63.415 63.100 0.184 0.000 0.766 453 P CB 0.291 32.100 31.700 0.181 0.000 0.876 454 R N 0.020 120.478 120.500 -0.070 0.000 2.072 454 R HA 0.042 4.382 4.340 0.001 0.000 0.221 454 R C 2.472 178.698 176.300 -0.122 0.000 1.166 454 R CA 1.393 57.399 56.100 -0.156 0.000 0.917 454 R CB -1.381 28.826 30.300 -0.156 0.000 0.815 454 R HN 0.001 nan 8.270 nan 0.000 0.444 455 R N -0.523 119.849 120.500 -0.213 0.000 2.083 455 R HA -0.166 4.175 4.340 0.001 0.000 0.237 455 R C 1.688 177.740 176.300 -0.413 0.000 1.137 455 R CA 2.053 57.890 56.100 -0.438 0.000 0.951 455 R CB -0.345 29.484 30.300 -0.786 0.000 0.851 455 R HN 0.326 nan 8.270 nan 0.000 0.434 456 W N -0.598 120.717 121.300 0.025 0.000 3.047 456 W HA 0.187 4.848 4.660 0.001 0.000 0.250 456 W C 1.311 177.861 176.519 0.052 0.000 1.314 456 W CA -0.235 57.132 57.345 0.036 0.000 1.540 456 W CB 0.315 29.800 29.460 0.042 0.000 1.127 456 W HN 0.162 nan 8.180 nan 0.000 0.679 457 I N -1.909 118.799 120.570 0.231 0.000 3.685 457 I HA -0.019 4.152 4.170 0.001 0.000 0.258 457 I C 2.139 178.367 176.117 0.186 0.000 1.135 457 I CA -0.098 61.326 61.300 0.207 0.000 1.436 457 I CB -0.300 37.858 38.000 0.263 0.000 1.670 457 I HN -0.404 nan 8.210 nan 0.000 0.424 458 K N 1.227 121.765 120.400 0.230 0.000 2.032 458 K HA -0.265 4.055 4.320 0.001 0.000 0.209 458 K C 2.141 178.749 176.600 0.015 0.000 1.048 458 K CA 2.144 58.526 56.287 0.158 0.000 0.927 458 K CB 0.027 32.535 32.500 0.013 0.000 0.712 458 K HN 0.252 nan 8.250 nan 0.000 0.441 459 Q N -0.016 119.754 119.800 -0.049 0.000 2.033 459 Q HA -0.137 4.204 4.340 0.001 0.000 0.196 459 Q C 2.384 178.325 176.000 -0.098 0.000 0.970 459 Q CA 1.684 57.420 55.803 -0.111 0.000 0.828 459 Q CB 0.012 28.658 28.738 -0.153 0.000 0.895 459 Q HN 0.626 nan 8.270 nan 0.000 0.440 460 C N -0.186 119.068 119.300 -0.076 0.000 2.495 460 C HA 0.237 4.697 4.460 0.001 0.000 0.275 460 C C 1.155 176.137 174.990 -0.012 0.000 1.392 460 C CA -0.142 58.849 59.018 -0.044 0.000 1.766 460 C CB -0.620 27.112 27.740 -0.012 0.000 1.933 460 C HN 0.356 nan 8.230 nan 0.000 0.519 461 N N 1.362 120.063 118.700 0.002 0.000 2.757 461 N HA 0.312 5.053 4.740 0.001 0.000 0.296 461 N C -1.796 173.701 175.510 -0.023 0.000 1.874 461 N CA -1.793 51.248 53.050 -0.015 0.000 0.885 461 N CB 0.649 39.128 38.487 -0.013 0.000 1.242 461 N HN 0.271 nan 8.380 nan 0.000 0.488 462 P HA -0.082 nan 4.420 nan 0.000 0.218 462 P C 1.056 178.338 177.300 -0.030 0.000 1.149 462 P CA 0.890 63.972 63.100 -0.031 0.000 0.817 462 P CB 0.357 32.015 31.700 -0.070 0.000 0.785 463 A N -0.192 122.595 122.820 -0.056 0.000 1.898 463 A HA -0.141 4.180 4.320 0.001 0.000 0.216 463 A C 2.183 179.700 177.584 -0.110 0.000 1.181 463 A CA 1.367 53.359 52.037 -0.076 0.000 0.620 463 A CB -1.608 17.340 19.000 -0.087 0.000 0.819 463 A HN 0.175 nan 8.150 nan 0.000 0.442 464 L N -0.154 120.985 121.223 -0.139 0.000 2.083 464 L HA -0.039 4.302 4.340 0.001 0.000 0.209 464 L C 2.603 179.375 176.870 -0.162 0.000 1.083 464 L CA 2.095 56.817 54.840 -0.196 0.000 0.752 464 L CB -0.767 41.155 42.059 -0.228 0.000 0.899 464 L HN 0.331 nan 8.230 nan 0.000 0.433 465 A N -0.467 122.320 122.820 -0.056 0.000 1.933 465 A HA -0.110 4.211 4.320 0.001 0.000 0.218 465 A C 2.448 180.122 177.584 0.150 0.000 1.175 465 A CA 1.819 53.920 52.037 0.107 0.000 0.628 465 A CB -1.104 18.086 19.000 0.317 0.000 0.814 465 A HN 0.579 nan 8.150 nan 0.000 0.444 466 A N -0.642 122.216 122.820 0.063 0.000 1.898 466 A HA 0.025 4.346 4.320 0.001 0.000 0.216 466 A C 2.096 179.685 177.584 0.008 0.000 1.181 466 A CA 1.603 53.673 52.037 0.055 0.000 0.620 466 A CB -0.613 18.395 19.000 0.012 0.000 0.819 466 A HN 0.609 nan 8.150 nan 0.000 0.442 467 L N 0.054 121.236 121.223 -0.068 0.000 2.012 467 L HA -0.163 4.177 4.340 0.001 0.000 0.210 467 L C 2.332 179.145 176.870 -0.095 0.000 1.073 467 L CA 1.747 56.520 54.840 -0.112 0.000 0.748 467 L CB -0.553 41.378 42.059 -0.213 0.000 0.891 467 L HN 0.428 nan 8.230 nan 0.000 0.431 468 L N -0.930 120.188 121.223 -0.176 0.000 2.017 468 L HA -0.237 4.103 4.340 0.001 0.000 0.208 468 L C 2.306 179.138 176.870 -0.063 0.000 1.073 468 L CA 1.463 56.101 54.840 -0.336 0.000 0.745 468 L CB -0.934 40.470 42.059 -1.093 0.000 0.894 468 L HN 0.286 nan 8.230 nan 0.000 0.432 469 D N 0.122 120.639 120.400 0.196 0.000 2.123 469 D HA -0.221 4.420 4.640 0.001 0.000 0.196 469 D C 2.129 178.517 176.300 0.147 0.000 0.992 469 D CA 1.326 55.511 54.000 0.308 0.000 0.833 469 D CB -0.046 40.911 40.800 0.262 0.000 0.954 469 D HN 0.240 nan 8.370 nan 0.000 0.455 470 K N 0.214 120.658 120.400 0.073 0.000 2.155 470 K HA -0.003 4.317 4.320 0.001 0.000 0.203 470 K C 1.815 178.426 176.600 0.018 0.000 1.052 470 K CA 0.916 57.228 56.287 0.043 0.000 0.948 470 K CB 0.233 32.741 32.500 0.015 0.000 0.728 470 K HN -0.083 nan 8.250 nan 0.000 0.448 471 S N 0.239 115.911 115.700 -0.047 0.000 2.486 471 S HA 0.178 4.648 4.470 0.001 0.000 0.220 471 S C 0.413 174.998 174.600 -0.025 0.000 1.011 471 S CA 0.015 58.101 58.200 -0.189 0.000 0.921 471 S CB 0.211 63.102 63.200 -0.515 0.000 0.785 471 S HN 0.124 nan 8.310 nan 0.000 0.517 472 L N 1.554 122.806 121.223 0.049 0.000 2.331 472 L HA 0.407 4.748 4.340 0.001 0.000 0.275 472 L C 1.403 178.358 176.870 0.142 0.000 1.022 472 L CA -0.497 54.416 54.840 0.121 0.000 0.812 472 L CB 1.156 43.299 42.059 0.141 0.000 1.257 472 L HN 0.008 nan 8.230 nan 0.000 0.435 473 Q N 1.515 121.393 119.800 0.130 0.000 2.172 473 Q HA -0.008 4.333 4.340 0.001 0.000 0.200 473 Q C -0.020 176.046 176.000 0.111 0.000 0.964 473 Q CA 1.257 57.126 55.803 0.109 0.000 0.855 473 Q CB 0.459 29.249 28.738 0.087 0.000 0.918 473 Q HN 0.549 nan 8.270 nan 0.000 0.444 474 K N 0.607 121.085 120.400 0.130 0.000 2.295 474 K HA 0.180 4.500 4.320 0.001 0.000 0.239 474 K C -0.933 175.759 176.600 0.153 0.000 0.991 474 K CA -0.755 55.601 56.287 0.116 0.000 0.845 474 K CB 1.520 34.075 32.500 0.093 0.000 1.197 474 K HN -0.126 nan 8.250 nan 0.000 0.441 475 E N 1.940 122.189 120.200 0.080 0.000 2.558 475 E HA -0.129 4.222 4.350 0.001 0.000 0.255 475 E C -0.041 176.564 176.600 0.010 0.000 0.968 475 E CA 0.495 56.886 56.400 -0.014 0.000 0.939 475 E CB 0.268 29.947 29.700 -0.036 0.000 0.921 475 E HN 0.598 nan 8.360 nan 0.000 0.477 476 W N 3.777 125.091 121.300 0.023 0.000 3.058 476 W HA 0.372 5.033 4.660 0.001 0.000 0.306 476 W C 0.865 177.355 176.519 -0.048 0.000 1.188 476 W CA 0.335 57.681 57.345 0.002 0.000 1.651 476 W CB -0.608 28.859 29.460 0.012 0.000 1.051 476 W HN 0.574 nan 8.180 nan 0.000 0.592 477 A N 2.848 125.073 122.820 -0.992 0.000 1.968 477 A HA -0.208 4.113 4.320 0.001 0.000 0.217 477 A C 1.527 178.737 177.584 -0.624 0.000 1.169 477 A CA 1.756 53.139 52.037 -1.091 0.000 0.638 477 A CB -0.956 17.092 19.000 -1.587 0.000 0.812 477 A HN 0.356 nan 8.150 nan 0.000 0.446 478 N N -1.299 117.156 118.700 -0.409 0.000 2.338 478 N HA 0.172 4.913 4.740 0.001 0.000 0.251 478 N C -0.852 174.625 175.510 -0.055 0.000 1.199 478 N CA 0.213 53.154 53.050 -0.181 0.000 0.879 478 N CB 0.458 38.916 38.487 -0.048 0.000 1.159 478 N HN 0.139 nan 8.380 nan 0.000 0.514 479 D N 0.109 120.494 120.400 -0.025 0.000 3.285 479 D HA 0.081 4.722 4.640 0.001 0.000 0.273 479 D C 0.361 176.724 176.300 0.105 0.000 1.295 479 D CA -0.400 53.624 54.000 0.039 0.000 0.762 479 D CB -0.027 40.797 40.800 0.040 0.000 1.379 479 D HN -0.028 nan 8.370 nan 0.000 0.612 480 L N 0.784 122.074 121.223 0.112 0.000 2.261 480 L HA -0.041 4.299 4.340 0.001 0.000 0.216 480 L C 1.403 178.344 176.870 0.119 0.000 1.114 480 L CA 1.608 56.547 54.840 0.164 0.000 0.777 480 L CB -0.062 42.086 42.059 0.150 0.000 0.910 480 L HN 0.215 nan 8.230 nan 0.000 0.440 481 D N -0.972 119.472 120.400 0.074 0.000 2.309 481 D HA -0.161 4.480 4.640 0.001 0.000 0.212 481 D C 1.921 178.259 176.300 0.063 0.000 0.968 481 D CA 0.512 54.539 54.000 0.046 0.000 0.882 481 D CB 0.079 40.891 40.800 0.020 0.000 0.918 481 D HN 0.447 nan 8.370 nan 0.000 0.503 482 Q N 0.064 119.925 119.800 0.102 0.000 2.291 482 Q HA -0.089 4.251 4.340 0.001 0.000 0.206 482 Q C 2.086 178.143 176.000 0.095 0.000 0.976 482 Q CA 0.261 56.132 55.803 0.113 0.000 0.875 482 Q CB -0.178 28.666 28.738 0.177 0.000 0.927 482 Q HN 0.292 nan 8.270 nan 0.000 0.450 483 L N 0.378 121.653 121.223 0.087 0.000 2.261 483 L HA -0.152 4.189 4.340 0.001 0.000 0.216 483 L C 2.080 178.967 176.870 0.028 0.000 1.114 483 L CA 0.839 55.701 54.840 0.038 0.000 0.777 483 L CB -0.736 41.341 42.059 0.030 0.000 0.910 483 L HN 0.170 nan 8.230 nan 0.000 0.440 484 I N -0.113 120.474 120.570 0.029 0.000 2.423 484 I HA -0.282 3.889 4.170 0.001 0.000 0.254 484 I C 2.000 178.123 176.117 0.011 0.000 1.151 484 I CA 1.231 62.538 61.300 0.012 0.000 1.421 484 I CB -0.460 37.542 38.000 0.004 0.000 1.079 484 I HN 0.356 nan 8.210 nan 0.000 0.431 485 N N 0.173 118.892 118.700 0.033 0.000 2.573 485 N HA -0.073 4.667 4.740 0.001 0.000 0.187 485 N C 1.668 177.238 175.510 0.101 0.000 1.107 485 N CA 0.803 53.883 53.050 0.050 0.000 0.918 485 N CB -0.122 38.411 38.487 0.078 0.000 0.966 485 N HN 0.432 nan 8.380 nan 0.000 0.448 486 L N 0.723 121.991 121.223 0.074 0.000 2.418 486 L HA 0.001 4.342 4.340 0.001 0.000 0.218 486 L C 2.006 178.879 176.870 0.006 0.000 1.125 486 L CA 0.372 55.267 54.840 0.091 0.000 0.835 486 L CB -0.133 41.918 42.059 -0.013 0.000 0.953 486 L HN 0.084 nan 8.230 nan 0.000 0.454 487 E N 1.096 121.272 120.200 -0.041 0.000 2.065 487 E HA -0.305 4.045 4.350 0.001 0.000 0.201 487 E C 1.991 178.505 176.600 -0.143 0.000 1.016 487 E CA 2.063 58.410 56.400 -0.087 0.000 0.818 487 E CB -0.055 29.599 29.700 -0.076 0.000 0.749 487 E HN 0.535 nan 8.360 nan 0.000 0.453 488 K N 0.371 120.648 120.400 -0.206 0.000 2.211 488 K HA -0.147 4.173 4.320 0.001 0.000 0.204 488 K C 1.596 177.952 176.600 -0.406 0.000 1.047 488 K CA 1.464 57.558 56.287 -0.322 0.000 0.935 488 K CB -0.575 31.677 32.500 -0.414 0.000 0.728 488 K HN 0.078 nan 8.250 nan 0.000 0.452 489 F N 1.194 120.907 119.950 -0.395 0.000 2.699 489 F HA 0.136 4.663 4.527 0.001 0.000 0.298 489 F C 2.250 177.789 175.800 -0.435 0.000 1.154 489 F CA 0.494 58.135 58.000 -0.599 0.000 1.457 489 F CB -0.306 37.841 39.000 -1.422 0.000 1.106 489 F HN 0.118 nan 8.300 nan 0.000 0.585 490 A N -0.543 122.187 122.820 -0.150 0.000 2.119 490 A HA -0.112 4.209 4.320 0.001 0.000 0.217 490 A C 1.717 179.279 177.584 -0.036 0.000 1.153 490 A CA 1.452 53.446 52.037 -0.072 0.000 0.692 490 A CB -0.393 18.547 19.000 -0.101 0.000 0.799 490 A HN 0.187 nan 8.150 nan 0.000 0.458 491 D N -0.218 120.143 120.400 -0.066 0.000 2.350 491 D HA 0.017 4.657 4.640 0.001 0.000 0.213 491 D C -0.199 176.092 176.300 -0.016 0.000 1.031 491 D CA 0.247 54.217 54.000 -0.050 0.000 0.861 491 D CB 0.119 40.867 40.800 -0.086 0.000 0.926 491 D HN 0.390 nan 8.370 nan 0.000 0.520 492 D N 0.353 120.766 120.400 0.022 0.000 2.313 492 D HA 0.261 4.902 4.640 0.001 0.000 0.239 492 D C 1.075 177.467 176.300 0.153 0.000 1.142 492 D CA -0.425 53.632 54.000 0.094 0.000 0.847 492 D CB 1.515 42.410 40.800 0.159 0.000 1.082 492 D HN -0.093 nan 8.370 nan 0.000 0.480 493 A N 5.408 128.289 122.820 0.101 0.000 1.940 493 A HA -0.198 4.123 4.320 0.001 0.000 0.219 493 A C 1.990 179.641 177.584 0.112 0.000 1.176 493 A CA 1.515 53.607 52.037 0.091 0.000 0.631 493 A CB -0.439 18.594 19.000 0.054 0.000 0.814 493 A HN 0.674 nan 8.150 nan 0.000 0.446 494 K N -1.400 119.077 120.400 0.128 0.000 2.057 494 K HA -0.152 4.169 4.320 0.001 0.000 0.206 494 K C 1.903 178.587 176.600 0.140 0.000 1.050 494 K CA 1.636 57.991 56.287 0.113 0.000 0.935 494 K CB -0.426 32.143 32.500 0.114 0.000 0.715 494 K HN 0.370 nan 8.250 nan 0.000 0.439 495 F N 2.371 122.366 119.950 0.075 0.000 2.134 495 F HA -0.110 4.418 4.527 0.001 0.000 0.299 495 F C 2.344 178.187 175.800 0.072 0.000 1.097 495 F CA 1.394 59.435 58.000 0.068 0.000 1.264 495 F CB -0.069 39.005 39.000 0.123 0.000 1.001 495 F HN -0.023 nan 8.300 nan 0.000 0.479 496 R N 0.016 120.692 120.500 0.293 0.000 2.091 496 R HA -0.250 4.091 4.340 0.001 0.000 0.238 496 R C 2.402 178.744 176.300 0.071 0.000 1.136 496 R CA 1.911 58.113 56.100 0.169 0.000 0.959 496 R CB -0.779 29.604 30.300 0.139 0.000 0.856 496 R HN 0.507 nan 8.270 nan 0.000 0.437 497 Q N 0.909 120.734 119.800 0.042 0.000 2.084 497 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 497 Q C 1.924 177.903 176.000 -0.034 0.000 0.978 497 Q CA 1.521 57.329 55.803 0.009 0.000 0.844 497 Q CB 0.066 28.809 28.738 0.009 0.000 0.898 497 Q HN 0.452 nan 8.270 nan 0.000 0.426 498 Q N -0.719 119.027 119.800 -0.090 0.000 2.050 498 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 498 Q C 1.932 177.812 176.000 -0.200 0.000 0.980 498 Q CA 1.645 57.347 55.803 -0.168 0.000 0.840 498 Q CB -0.266 28.319 28.738 -0.254 0.000 0.898 498 Q HN 0.466 nan 8.270 nan 0.000 0.424 499 Y N 1.403 121.455 120.300 -0.412 0.000 2.165 499 Y HA -0.254 4.296 4.550 0.001 0.000 0.286 499 Y C 2.473 178.284 175.900 -0.147 0.000 1.155 499 Y CA 1.825 59.727 58.100 -0.330 0.000 1.164 499 Y CB -0.052 38.210 38.460 -0.329 0.000 0.978 499 Y HN -0.070 nan 8.280 nan 0.000 0.513 500 R N 0.323 120.899 120.500 0.127 0.000 2.092 500 R HA -0.176 4.165 4.340 0.001 0.000 0.231 500 R C 2.090 178.373 176.300 -0.028 0.000 1.119 500 R CA 1.856 58.005 56.100 0.082 0.000 0.970 500 R CB -0.272 30.074 30.300 0.076 0.000 0.864 500 R HN 0.444 nan 8.270 nan 0.000 0.440 501 E N 0.224 120.389 120.200 -0.057 0.000 2.110 501 E HA -0.179 4.172 4.350 0.001 0.000 0.193 501 E C 1.938 178.476 176.600 -0.104 0.000 0.988 501 E CA 1.441 57.796 56.400 -0.075 0.000 0.804 501 E CB -0.027 29.631 29.700 -0.070 0.000 0.745 501 E HN 0.402 nan 8.360 nan 0.000 0.458 502 I N 0.666 121.144 120.570 -0.154 0.000 2.202 502 I HA -0.260 3.911 4.170 0.001 0.000 0.242 502 I C 2.367 178.385 176.117 -0.165 0.000 1.091 502 I CA 0.866 62.058 61.300 -0.181 0.000 1.368 502 I CB -0.118 37.722 38.000 -0.268 0.000 1.058 502 I HN -0.006 nan 8.210 nan 0.000 0.410 503 K N 0.848 121.137 120.400 -0.184 0.000 2.020 503 K HA -0.237 4.084 4.320 0.001 0.000 0.212 503 K C 2.160 178.696 176.600 -0.106 0.000 1.050 503 K CA 1.729 57.941 56.287 -0.125 0.000 0.929 503 K CB -0.311 32.155 32.500 -0.057 0.000 0.714 503 K HN 0.168 nan 8.250 nan 0.000 0.443 504 Q N -0.215 119.525 119.800 -0.101 0.000 2.096 504 Q HA -0.086 4.255 4.340 0.001 0.000 0.204 504 Q C 2.160 178.106 176.000 -0.089 0.000 0.982 504 Q CA 1.774 57.510 55.803 -0.112 0.000 0.850 504 Q CB -0.557 28.128 28.738 -0.090 0.000 0.901 504 Q HN 0.461 nan 8.270 nan 0.000 0.422 505 A N 1.605 124.383 122.820 -0.071 0.000 1.933 505 A HA -0.216 4.105 4.320 0.001 0.000 0.218 505 A C 1.854 179.420 177.584 -0.030 0.000 1.175 505 A CA 1.601 53.610 52.037 -0.046 0.000 0.628 505 A CB -0.489 18.482 19.000 -0.048 0.000 0.814 505 A HN 0.329 nan 8.150 nan 0.000 0.444 506 N N 0.218 118.892 118.700 -0.043 0.000 2.104 506 N HA -0.149 4.591 4.740 0.001 0.000 0.190 506 N C 1.585 177.113 175.510 0.030 0.000 1.024 506 N CA 1.709 54.751 53.050 -0.012 0.000 0.853 506 N CB -0.377 38.094 38.487 -0.027 0.000 1.008 506 N HN 0.597 nan 8.380 nan 0.000 0.424 507 K N 0.322 120.705 120.400 -0.029 0.000 2.097 507 K HA -0.008 4.312 4.320 0.001 0.000 0.206 507 K C 1.992 178.665 176.600 0.122 0.000 1.049 507 K CA 0.666 56.942 56.287 -0.019 0.000 0.933 507 K CB -0.087 32.120 32.500 -0.489 0.000 0.717 507 K HN -0.037 nan 8.250 nan 0.000 0.442 508 V N 1.443 121.384 119.914 0.045 0.000 2.358 508 V HA -0.221 3.900 4.120 0.001 0.000 0.246 508 V C 2.207 178.364 176.094 0.105 0.000 1.047 508 V CA 1.590 63.935 62.300 0.075 0.000 1.035 508 V CB -0.442 31.398 31.823 0.030 0.000 0.658 508 V HN 0.273 nan 8.190 nan 0.000 0.452 509 R N -0.486 120.066 120.500 0.086 0.000 2.091 509 R HA -0.170 4.171 4.340 0.001 0.000 0.238 509 R C 2.245 178.637 176.300 0.153 0.000 1.136 509 R CA 1.590 57.748 56.100 0.096 0.000 0.959 509 R CB -0.571 29.762 30.300 0.056 0.000 0.856 509 R HN 0.392 nan 8.270 nan 0.000 0.437 510 L N 0.796 122.131 121.223 0.187 0.000 2.093 510 L HA -0.045 4.296 4.340 0.001 0.000 0.208 510 L C 2.247 179.268 176.870 0.251 0.000 1.085 510 L CA 1.754 56.742 54.840 0.247 0.000 0.755 510 L CB -0.574 41.655 42.059 0.283 0.000 0.904 510 L HN 0.101 nan 8.230 nan 0.000 0.435 511 A N -0.608 122.357 122.820 0.241 0.000 1.908 511 A HA -0.267 4.054 4.320 0.001 0.000 0.218 511 A C 2.174 179.838 177.584 0.134 0.000 1.181 511 A CA 2.036 54.176 52.037 0.172 0.000 0.627 511 A CB -0.658 18.456 19.000 0.190 0.000 0.818 511 A HN 0.620 nan 8.150 nan 0.000 0.445 512 E N -1.497 118.792 120.200 0.149 0.000 2.031 512 E HA -0.168 4.183 4.350 0.001 0.000 0.193 512 E C 1.784 178.485 176.600 0.167 0.000 0.994 512 E CA 1.322 57.802 56.400 0.133 0.000 0.800 512 E CB -0.308 29.471 29.700 0.130 0.000 0.752 512 E HN 0.655 nan 8.360 nan 0.000 0.447 513 F N 1.264 121.246 119.950 0.054 0.000 2.091 513 F HA -0.252 4.275 4.527 0.001 0.000 0.299 513 F C 2.111 177.941 175.800 0.050 0.000 1.103 513 F CA 1.128 59.161 58.000 0.054 0.000 1.228 513 F CB -0.427 38.611 39.000 0.063 0.000 0.984 513 F HN -0.180 nan 8.300 nan 0.000 0.477 514 V N 0.530 120.479 119.914 0.058 0.000 2.332 514 V HA -0.353 3.768 4.120 0.001 0.000 0.248 514 V C 2.462 178.505 176.094 -0.084 0.000 1.055 514 V CA 2.374 64.634 62.300 -0.066 0.000 1.038 514 V CB -0.776 31.040 31.823 -0.012 0.000 0.651 514 V HN 0.332 nan 8.190 nan 0.000 0.450 515 K N 0.534 120.919 120.400 -0.025 0.000 2.009 515 K HA -0.196 4.125 4.320 0.001 0.000 0.210 515 K C 2.084 178.656 176.600 -0.046 0.000 1.049 515 K CA 2.218 58.494 56.287 -0.019 0.000 0.929 515 K CB -0.563 31.946 32.500 0.014 0.000 0.714 515 K HN 0.418 nan 8.250 nan 0.000 0.440 516 V N -0.357 119.523 119.914 -0.057 0.000 2.407 516 V HA -0.136 3.984 4.120 0.001 0.000 0.248 516 V C 1.931 177.947 176.094 -0.131 0.000 1.055 516 V CA 1.500 63.760 62.300 -0.066 0.000 1.049 516 V CB -0.512 31.297 31.823 -0.022 0.000 0.662 516 V HN 0.264 nan 8.190 nan 0.000 0.455 517 R N 1.058 121.399 120.500 -0.265 0.000 2.193 517 R HA 0.062 4.403 4.340 0.001 0.000 0.213 517 R C 2.132 178.354 176.300 -0.131 0.000 1.055 517 R CA 1.545 57.486 56.100 -0.265 0.000 0.995 517 R CB -0.426 29.574 30.300 -0.500 0.000 0.893 517 R HN 0.837 nan 8.270 nan 0.000 0.459 518 T N -5.724 108.776 114.554 -0.090 0.000 3.009 518 T HA 0.220 4.571 4.350 0.001 0.000 0.267 518 T C 1.258 175.954 174.700 -0.007 0.000 0.942 518 T CA 0.643 62.730 62.100 -0.022 0.000 0.883 518 T CB 0.960 69.834 68.868 0.010 0.000 1.192 518 T HN 0.261 nan 8.240 nan 0.000 0.524 519 G N 1.698 110.487 108.800 -0.017 0.000 2.179 519 G HA2 -0.200 3.760 3.960 0.001 0.000 0.260 519 G HA3 -0.200 3.760 3.960 0.001 0.000 0.260 519 G C -0.037 174.863 174.900 0.000 0.000 0.977 519 G CA 0.213 45.310 45.100 -0.004 0.000 0.641 519 G HN 0.686 nan 8.290 nan 0.000 0.533 520 I N 0.848 121.416 120.570 -0.003 0.000 2.396 520 I HA 0.410 4.581 4.170 0.001 0.000 0.292 520 I C 0.445 176.559 176.117 -0.004 0.000 0.999 520 I CA -0.519 60.779 61.300 -0.002 0.000 1.310 520 I CB 1.538 39.536 38.000 -0.003 0.000 1.404 520 I HN 0.096 nan 8.210 nan 0.000 0.496 521 E N 6.724 126.925 120.200 0.002 0.000 2.081 521 E HA 0.380 4.731 4.350 0.001 0.000 0.281 521 E C -0.739 175.866 176.600 0.007 0.000 0.986 521 E CA -0.443 55.964 56.400 0.011 0.000 0.796 521 E CB 0.771 30.480 29.700 0.015 0.000 1.085 521 E HN 0.438 nan 8.360 nan 0.000 0.398 522 I N 0.819 121.394 120.570 0.009 0.000 2.577 522 I HA 0.533 4.704 4.170 0.001 0.000 0.305 522 I C -0.252 175.914 176.117 0.082 0.000 0.986 522 I CA -1.158 60.145 61.300 0.006 0.000 1.189 522 I CB 1.628 39.566 38.000 -0.103 0.000 1.355 522 I HN 0.234 nan 8.210 nan 0.000 0.476 523 N N 6.160 124.921 118.700 0.102 0.000 2.414 523 N HA 0.352 5.093 4.740 0.001 0.000 0.256 523 N C -1.827 173.816 175.510 0.220 0.000 1.029 523 N CA -2.572 50.552 53.050 0.124 0.000 0.948 523 N CB 1.039 39.566 38.487 0.068 0.000 1.102 523 N HN 0.452 nan 8.380 nan 0.000 0.496 524 P HA -0.023 nan 4.420 nan 0.000 0.247 524 P C 0.057 177.285 177.300 -0.119 0.000 1.225 524 P CA 0.665 63.778 63.100 0.023 0.000 0.768 524 P CB 0.506 32.215 31.700 0.015 0.000 1.020 525 Q N -0.819 118.961 119.800 -0.033 0.000 2.384 525 Q HA 0.202 4.543 4.340 0.001 0.000 0.207 525 Q C 1.115 177.080 176.000 -0.058 0.000 0.904 525 Q CA 0.056 55.830 55.803 -0.049 0.000 0.933 525 Q CB 0.335 29.064 28.738 -0.016 0.000 1.077 525 Q HN 0.202 nan 8.270 nan 0.000 0.522 526 A N 1.187 123.989 122.820 -0.030 0.000 2.332 526 A HA 0.381 4.702 4.320 0.001 0.000 0.258 526 A C 0.185 177.654 177.584 -0.192 0.000 1.087 526 A CA -0.500 51.495 52.037 -0.069 0.000 0.802 526 A CB 0.213 19.229 19.000 0.026 0.000 1.042 526 A HN 0.232 nan 8.150 nan 0.000 0.489 527 I N 1.481 121.808 120.570 -0.406 0.000 2.598 527 I HA 0.006 4.176 4.170 0.001 0.000 0.284 527 I C -0.681 175.363 176.117 -0.121 0.000 1.140 527 I CA 0.253 61.218 61.300 -0.559 0.000 1.420 527 I CB 0.009 37.558 38.000 -0.752 0.000 1.387 527 I HN 0.345 nan 8.210 nan 0.000 0.553 528 F N 5.060 124.824 119.950 -0.311 0.000 2.390 528 F HA 0.196 4.724 4.527 0.001 0.000 0.361 528 F C 0.601 176.232 175.800 -0.282 0.000 1.124 528 F CA -0.944 56.904 58.000 -0.253 0.000 1.149 528 F CB 0.099 39.021 39.000 -0.130 0.000 1.160 528 F HN 0.383 nan 8.300 nan 0.000 0.501 529 D N 5.628 125.857 120.400 -0.286 0.000 2.392 529 D HA 0.361 5.002 4.640 0.001 0.000 0.228 529 D C -0.586 175.537 176.300 -0.295 0.000 1.074 529 D CA -0.119 53.661 54.000 -0.366 0.000 0.838 529 D CB 0.732 41.041 40.800 -0.819 0.000 1.067 529 D HN 0.354 nan 8.370 nan 0.000 0.511 530 I N 2.919 123.382 120.570 -0.177 0.000 2.406 530 I HA 0.256 4.426 4.170 0.001 0.000 0.290 530 I C -0.088 175.904 176.117 -0.208 0.000 0.999 530 I CA -0.766 60.411 61.300 -0.204 0.000 1.124 530 I CB 2.158 40.093 38.000 -0.108 0.000 1.289 530 I HN 0.181 nan 8.210 nan 0.000 0.441 531 Q N 7.983 127.580 119.800 -0.340 0.000 2.339 531 Q HA 0.638 4.979 4.340 0.001 0.000 0.268 531 Q C -1.408 174.423 176.000 -0.282 0.000 1.027 531 Q CA -0.584 55.058 55.803 -0.269 0.000 0.759 531 Q CB 1.656 30.234 28.738 -0.266 0.000 1.244 531 Q HN 0.733 nan 8.270 nan 0.000 0.464 532 I N 1.881 122.294 120.570 -0.263 0.000 2.512 532 I HA 0.714 4.885 4.170 0.001 0.000 0.287 532 I C -1.248 174.690 176.117 -0.299 0.000 1.069 532 I CA -0.705 60.320 61.300 -0.459 0.000 1.056 532 I CB 1.622 39.293 38.000 -0.549 0.000 1.229 532 I HN 0.612 nan 8.210 nan 0.000 0.429 533 K N 3.432 123.664 120.400 -0.280 0.000 3.663 533 K HA 0.316 4.637 4.320 0.001 0.000 0.413 533 K C -1.511 175.112 176.600 0.039 0.000 1.089 533 K CA -1.183 55.096 56.287 -0.012 0.000 0.860 533 K CB 0.611 33.085 32.500 -0.045 0.000 1.492 533 K HN 0.649 nan 8.250 nan 0.000 0.517 534 R N 0.314 120.866 120.500 0.087 0.000 2.784 534 R HA 0.162 4.503 4.340 0.001 0.000 0.266 534 R C -0.069 176.258 176.300 0.045 0.000 1.044 534 R CA -0.758 55.404 56.100 0.104 0.000 1.151 534 R CB 0.179 30.546 30.300 0.112 0.000 1.037 534 R HN 0.361 nan 8.270 nan 0.000 0.478 535 L N 4.003 125.264 121.223 0.064 0.000 2.325 535 L HA 0.166 4.507 4.340 0.001 0.000 0.284 535 L C -0.535 176.295 176.870 -0.068 0.000 1.089 535 L CA 0.646 55.474 54.840 -0.020 0.000 0.836 535 L CB -0.072 41.972 42.059 -0.026 0.000 1.184 535 L HN 0.599 nan 8.230 nan 0.000 0.444 536 H N 3.279 122.217 119.070 -0.220 0.000 2.974 536 H HA 0.156 4.713 4.556 0.001 0.000 0.366 536 H C 0.433 175.573 175.328 -0.312 0.000 1.155 536 H CA -0.339 55.587 56.048 -0.203 0.000 1.186 536 H CB 1.583 31.206 29.762 -0.232 0.000 1.799 536 H HN 0.666 nan 8.280 nan 0.000 0.541 537 E N 2.162 122.288 120.200 -0.123 0.000 2.147 537 E HA -0.275 4.075 4.350 0.001 0.000 0.199 537 E C 1.228 177.656 176.600 -0.286 0.000 1.005 537 E CA 2.154 58.452 56.400 -0.170 0.000 0.810 537 E CB -0.052 29.543 29.700 -0.174 0.000 0.736 537 E HN 0.579 nan 8.360 nan 0.000 0.460 538 Y N 0.163 120.243 120.300 -0.367 0.000 2.439 538 Y HA 0.047 4.597 4.550 0.001 0.000 0.292 538 Y C 1.393 177.197 175.900 -0.160 0.000 1.130 538 Y CA 0.671 58.444 58.100 -0.545 0.000 1.254 538 Y CB -0.072 38.124 38.460 -0.439 0.000 1.000 538 Y HN -0.188 nan 8.280 nan 0.000 0.554 539 K N 0.725 120.779 120.400 -0.578 0.000 2.365 539 K HA 0.086 4.407 4.320 0.001 0.000 0.197 539 K C 0.170 176.713 176.600 -0.094 0.000 1.042 539 K CA 0.509 56.584 56.287 -0.354 0.000 0.987 539 K CB -0.008 32.233 32.500 -0.431 0.000 0.779 539 K HN 0.226 nan 8.250 nan 0.000 0.484 540 R N 0.553 121.051 120.500 -0.003 0.000 3.332 540 R HA -0.214 4.127 4.340 0.001 0.000 0.263 540 R C 0.311 176.697 176.300 0.144 0.000 1.053 540 R CA 0.156 56.330 56.100 0.124 0.000 0.705 540 R CB -1.886 28.401 30.300 -0.023 0.000 1.166 540 R HN 0.280 nan 8.270 nan 0.000 0.427 541 Q N -0.035 119.860 119.800 0.158 0.000 2.234 541 Q HA -0.183 4.158 4.340 0.001 0.000 0.206 541 Q C 2.057 178.171 176.000 0.190 0.000 0.980 541 Q CA 2.035 57.938 55.803 0.166 0.000 0.869 541 Q CB -0.191 28.571 28.738 0.039 0.000 0.912 541 Q HN 0.703 nan 8.270 nan 0.000 0.436 542 H N -1.031 118.017 119.070 -0.035 0.000 2.462 542 H HA -0.034 4.523 4.556 0.001 0.000 0.292 542 H C 1.824 177.172 175.328 0.033 0.000 1.049 542 H CA 0.826 56.854 56.048 -0.033 0.000 1.334 542 H CB -0.652 29.086 29.762 -0.040 0.000 1.404 542 H HN 0.237 nan 8.280 nan 0.000 0.544 543 L N 1.578 122.756 121.223 -0.074 0.000 2.056 543 L HA -0.091 4.250 4.340 0.001 0.000 0.207 543 L C 2.170 179.149 176.870 0.183 0.000 1.078 543 L CA 1.953 56.782 54.840 -0.018 0.000 0.749 543 L CB -1.211 40.746 42.059 -0.170 0.000 0.901 543 L HN 0.389 nan 8.230 nan 0.000 0.433 544 N N -0.993 117.811 118.700 0.175 0.000 2.043 544 N HA -0.270 4.471 4.740 0.001 0.000 0.193 544 N C 1.988 177.626 175.510 0.213 0.000 1.037 544 N CA 1.552 54.799 53.050 0.330 0.000 0.851 544 N CB -0.223 38.448 38.487 0.306 0.000 1.027 544 N HN 0.352 nan 8.380 nan 0.000 0.422 545 L N 1.253 122.556 121.223 0.133 0.000 2.042 545 L HA -0.117 4.224 4.340 0.001 0.000 0.210 545 L C 1.934 178.788 176.870 -0.027 0.000 1.076 545 L CA 1.425 56.251 54.840 -0.023 0.000 0.749 545 L CB -0.526 41.458 42.059 -0.125 0.000 0.893 545 L HN 0.310 nan 8.230 nan 0.000 0.432 546 L N -1.120 120.159 121.223 0.093 0.000 2.046 546 L HA -0.264 4.076 4.340 0.001 0.000 0.208 546 L C 2.719 179.771 176.870 0.303 0.000 1.077 546 L CA 1.754 56.694 54.840 0.167 0.000 0.747 546 L CB -1.147 41.036 42.059 0.207 0.000 0.896 546 L HN 0.523 nan 8.230 nan 0.000 0.432 547 H N 0.675 119.896 119.070 0.253 0.000 2.421 547 H HA -0.144 4.413 4.556 0.001 0.000 0.298 547 H C 2.289 177.534 175.328 -0.139 0.000 1.087 547 H CA 1.589 57.651 56.048 0.023 0.000 1.330 547 H CB 0.205 29.841 29.762 -0.209 0.000 1.388 547 H HN 0.313 nan 8.280 nan 0.000 0.526 548 I N 0.634 120.948 120.570 -0.427 0.000 2.252 548 I HA -0.282 3.889 4.170 0.001 0.000 0.245 548 I C 2.588 178.519 176.117 -0.310 0.000 1.102 548 I CA 0.678 61.600 61.300 -0.631 0.000 1.385 548 I CB -0.153 37.448 38.000 -0.666 0.000 1.064 548 I HN 0.226 nan 8.210 nan 0.000 0.414 549 L N 0.385 121.513 121.223 -0.157 0.000 2.083 549 L HA -0.207 4.134 4.340 0.001 0.000 0.209 549 L C 2.809 179.698 176.870 0.031 0.000 1.083 549 L CA 1.299 56.135 54.840 -0.006 0.000 0.752 549 L CB -0.639 41.413 42.059 -0.012 0.000 0.899 549 L HN 0.245 nan 8.230 nan 0.000 0.433 550 A N -0.136 122.685 122.820 0.002 0.000 1.873 550 A HA -0.172 4.149 4.320 0.001 0.000 0.215 550 A C 2.268 179.822 177.584 -0.050 0.000 1.186 550 A CA 1.288 53.346 52.037 0.035 0.000 0.616 550 A CB -0.679 18.407 19.000 0.144 0.000 0.823 550 A HN 0.330 nan 8.150 nan 0.000 0.442 551 L N -1.731 119.382 121.223 -0.185 0.000 2.042 551 L HA -0.221 4.120 4.340 0.001 0.000 0.210 551 L C 2.633 179.517 176.870 0.024 0.000 1.076 551 L CA 1.891 56.654 54.840 -0.128 0.000 0.749 551 L CB -0.504 41.424 42.059 -0.219 0.000 0.893 551 L HN 0.618 nan 8.230 nan 0.000 0.432 552 Y N 0.991 121.223 120.300 -0.113 0.000 2.181 552 Y HA -0.301 4.250 4.550 0.001 0.000 0.288 552 Y C 2.614 178.501 175.900 -0.022 0.000 1.146 552 Y CA 1.693 59.760 58.100 -0.054 0.000 1.164 552 Y CB -0.413 38.019 38.460 -0.047 0.000 0.982 552 Y HN 0.073 nan 8.280 nan 0.000 0.515 553 K N 0.371 120.723 120.400 -0.080 0.000 2.032 553 K HA -0.271 4.050 4.320 0.001 0.000 0.209 553 K C 2.245 178.788 176.600 -0.095 0.000 1.048 553 K CA 1.920 58.112 56.287 -0.158 0.000 0.927 553 K CB -0.348 32.112 32.500 -0.067 0.000 0.712 553 K HN 0.493 nan 8.250 nan 0.000 0.441 554 E N 0.887 121.065 120.200 -0.037 0.000 2.085 554 E HA -0.199 4.152 4.350 0.001 0.000 0.194 554 E C 2.048 178.639 176.600 -0.017 0.000 0.994 554 E CA 1.688 58.076 56.400 -0.020 0.000 0.801 554 E CB -0.198 29.497 29.700 -0.009 0.000 0.743 554 E HN 0.576 nan 8.360 nan 0.000 0.453 555 I N -2.268 118.304 120.570 0.004 0.000 2.617 555 I HA -0.084 4.086 4.170 0.001 0.000 0.256 555 I C 2.358 178.475 176.117 -0.001 0.000 1.167 555 I CA 0.671 61.984 61.300 0.021 0.000 1.469 555 I CB -0.379 37.659 38.000 0.062 0.000 1.098 555 I HN -0.026 nan 8.210 nan 0.000 0.436 556 R N 1.383 121.846 120.500 -0.061 0.000 2.066 556 R HA -0.088 4.252 4.340 0.001 0.000 0.232 556 R C 1.843 178.097 176.300 -0.077 0.000 1.131 556 R CA 1.799 57.833 56.100 -0.110 0.000 0.955 556 R CB -0.113 30.020 30.300 -0.279 0.000 0.851 556 R HN 0.510 nan 8.270 nan 0.000 0.432 557 E N -0.387 119.768 120.200 -0.075 0.000 2.489 557 E HA -0.016 4.334 4.350 0.001 0.000 0.193 557 E C -0.330 176.253 176.600 -0.030 0.000 1.057 557 E CA -0.015 56.353 56.400 -0.053 0.000 0.866 557 E CB 0.306 29.974 29.700 -0.053 0.000 0.916 557 E HN 0.054 nan 8.360 nan 0.000 0.500 558 N N 0.023 118.710 118.700 -0.022 0.000 2.701 558 N HA 0.070 4.811 4.740 0.001 0.000 0.258 558 N C -2.319 173.188 175.510 -0.005 0.000 1.262 558 N CA -1.680 51.364 53.050 -0.011 0.000 0.780 558 N CB 1.193 39.675 38.487 -0.008 0.000 1.380 558 N HN -0.240 nan 8.380 nan 0.000 0.548 559 P HA -0.129 nan 4.420 nan 0.000 0.219 559 P C 0.390 177.692 177.300 0.004 0.000 1.146 559 P CA 1.146 64.248 63.100 0.002 0.000 0.808 559 P CB 0.585 32.286 31.700 0.001 0.000 0.779 560 Q N -0.473 119.328 119.800 0.002 0.000 2.365 560 Q HA 0.302 4.643 4.340 0.001 0.000 0.203 560 Q C 0.647 176.649 176.000 0.003 0.000 0.929 560 Q CA -0.244 55.560 55.803 0.003 0.000 0.948 560 Q CB -0.639 28.100 28.738 0.002 0.000 1.043 560 Q HN 0.184 nan 8.270 nan 0.000 0.505 561 A N 0.814 123.636 122.820 0.003 0.000 2.546 561 A HA -0.014 4.307 4.320 0.001 0.000 0.243 561 A C -0.058 177.529 177.584 0.004 0.000 1.063 561 A CA 0.113 52.152 52.037 0.003 0.000 0.757 561 A CB 0.157 19.159 19.000 0.003 0.000 0.991 561 A HN 0.118 nan 8.150 nan 0.000 0.503 562 D N 2.428 122.830 120.400 0.004 0.000 2.563 562 D HA 0.220 4.860 4.640 0.001 0.000 0.222 562 D C -0.316 175.984 176.300 0.001 0.000 1.145 562 D CA 0.068 54.070 54.000 0.004 0.000 1.001 562 D CB 0.136 40.939 40.800 0.006 0.000 1.049 562 D HN 0.308 nan 8.370 nan 0.000 0.515 563 R N 0.746 121.245 120.500 -0.003 0.000 2.621 563 R HA 0.294 4.634 4.340 0.001 0.000 0.292 563 R C -0.381 175.906 176.300 -0.022 0.000 0.969 563 R CA -0.950 55.143 56.100 -0.011 0.000 0.887 563 R CB 1.862 32.158 30.300 -0.007 0.000 1.180 563 R HN 0.114 nan 8.270 nan 0.000 0.450 564 V N 2.814 122.700 119.914 -0.045 0.000 2.614 564 V HA 0.344 4.464 4.120 0.001 0.000 0.291 564 V C -2.044 173.991 176.094 -0.098 0.000 1.049 564 V CA -1.573 60.684 62.300 -0.070 0.000 1.038 564 V CB 0.737 32.512 31.823 -0.080 0.000 0.980 564 V HN 0.546 nan 8.190 nan 0.000 0.481 565 P HA 0.243 nan 4.420 nan 0.000 0.267 565 P C -0.807 176.410 177.300 -0.138 0.000 1.201 565 P CA 0.302 63.360 63.100 -0.070 0.000 0.775 565 P CB 0.278 31.951 31.700 -0.044 0.000 0.854 566 R N 0.577 121.005 120.500 -0.121 0.000 2.774 566 R HA 0.645 4.986 4.340 0.001 0.000 0.272 566 R C -1.502 174.687 176.300 -0.184 0.000 1.000 566 R CA -1.085 54.874 56.100 -0.236 0.000 0.906 566 R CB 1.998 32.066 30.300 -0.386 0.000 1.227 566 R HN 0.145 nan 8.270 nan 0.000 0.468 567 V N 2.756 122.512 119.914 -0.265 0.000 2.407 567 V HA 0.395 4.516 4.120 0.001 0.000 0.291 567 V C -0.904 174.921 176.094 -0.448 0.000 1.018 567 V CA -0.662 61.479 62.300 -0.265 0.000 0.842 567 V CB 1.236 32.839 31.823 -0.366 0.000 0.996 567 V HN 0.509 nan 8.190 nan 0.000 0.426 568 F N 5.653 125.485 119.950 -0.197 0.000 2.421 568 F HA 0.550 5.078 4.527 0.001 0.000 0.358 568 F C 0.090 175.703 175.800 -0.312 0.000 1.115 568 F CA -0.251 57.590 58.000 -0.266 0.000 1.160 568 F CB 0.887 39.755 39.000 -0.219 0.000 1.123 568 F HN 0.238 nan 8.300 nan 0.000 0.508 569 L N 4.330 125.370 121.223 -0.305 0.000 2.325 569 L HA 0.566 4.907 4.340 0.001 0.000 0.278 569 L C -0.832 175.770 176.870 -0.446 0.000 1.023 569 L CA -0.388 54.294 54.840 -0.263 0.000 0.811 569 L CB 1.197 43.122 42.059 -0.224 0.000 1.249 569 L HN 0.393 nan 8.230 nan 0.000 0.431 570 F N 0.303 120.091 119.950 -0.270 0.000 2.551 570 F HA 0.766 5.294 4.527 0.001 0.000 0.316 570 F C 0.476 176.007 175.800 -0.449 0.000 1.089 570 F CA -0.699 56.980 58.000 -0.534 0.000 0.915 570 F CB 2.455 40.771 39.000 -1.140 0.000 1.186 570 F HN 0.384 nan 8.300 nan 0.000 0.456 571 G N 1.361 110.002 108.800 -0.264 0.000 2.739 571 G HA2 0.756 4.716 3.960 0.001 0.000 0.291 571 G HA3 0.756 4.716 3.960 0.001 0.000 0.291 571 G C -1.910 172.862 174.900 -0.213 0.000 1.478 571 G CA -0.782 44.191 45.100 -0.212 0.000 1.062 571 G HN 0.984 nan 8.290 nan 0.000 0.532 572 A N 2.373 125.378 122.820 0.308 0.000 2.580 572 A HA 0.700 5.020 4.320 0.001 0.000 0.301 572 A C -0.953 176.879 177.584 0.413 0.000 1.054 572 A CA -0.832 51.393 52.037 0.313 0.000 0.751 572 A CB 1.226 20.364 19.000 0.231 0.000 1.275 572 A HN 0.591 nan 8.150 nan 0.000 0.403 573 K N 0.936 121.505 120.400 0.281 0.000 2.164 573 K HA 0.748 5.068 4.320 0.001 0.000 0.258 573 K C -0.102 176.650 176.600 0.254 0.000 0.951 573 K CA -0.381 56.055 56.287 0.249 0.000 0.844 573 K CB 2.357 34.863 32.500 0.010 0.000 1.099 573 K HN 0.976 nan 8.250 nan 0.000 0.435 574 A N 1.678 124.678 122.820 0.300 0.000 2.305 574 A HA 0.632 4.953 4.320 0.001 0.000 0.322 574 A C -0.232 177.517 177.584 0.276 0.000 1.187 574 A CA -0.655 51.481 52.037 0.165 0.000 0.825 574 A CB 0.862 19.864 19.000 0.003 0.000 1.164 574 A HN 0.807 nan 8.150 nan 0.000 0.498 575 A N 3.623 126.594 122.820 0.252 0.000 2.531 575 A HA 0.427 4.748 4.320 0.001 0.000 0.236 575 A C -1.362 176.263 177.584 0.068 0.000 1.062 575 A CA -0.596 51.587 52.037 0.244 0.000 0.760 575 A CB -0.388 18.730 19.000 0.196 0.000 0.995 575 A HN 0.613 nan 8.150 nan 0.000 0.501 576 P HA -0.113 nan 4.420 nan 0.000 0.217 576 P C 1.206 178.348 177.300 -0.264 0.000 1.148 576 P CA 1.909 64.894 63.100 -0.192 0.000 0.828 576 P CB 0.206 31.798 31.700 -0.180 0.000 0.783 577 G N -2.966 105.680 108.800 -0.257 0.000 3.337 577 G HA2 -0.078 3.883 3.960 0.001 0.000 0.246 577 G HA3 -0.078 3.883 3.960 0.001 0.000 0.246 577 G C -0.276 174.222 174.900 -0.670 0.000 1.131 577 G CA 0.034 44.820 45.100 -0.524 0.000 0.773 577 G HN 0.154 nan 8.290 nan 0.000 0.544 578 Y N 2.154 122.119 120.300 -0.559 0.000 2.821 578 Y HA 0.390 4.941 4.550 0.001 0.000 0.331 578 Y C 0.669 176.355 175.900 -0.358 0.000 1.251 578 Y CA -2.602 55.272 58.100 -0.376 0.000 1.494 578 Y CB -0.513 37.820 38.460 -0.212 0.000 1.493 578 Y HN 0.233 nan 8.280 nan 0.000 0.496 579 Y N 1.620 122.032 120.300 0.186 0.000 2.151 579 Y HA -0.297 4.254 4.550 0.001 0.000 0.284 579 Y C 2.168 178.071 175.900 0.004 0.000 1.166 579 Y CA 1.658 59.793 58.100 0.058 0.000 1.163 579 Y CB -0.769 37.719 38.460 0.046 0.000 0.974 579 Y HN 0.487 nan 8.280 nan 0.000 0.511 580 L N 0.440 121.764 121.223 0.169 0.000 2.017 580 L HA -0.080 4.261 4.340 0.001 0.000 0.208 580 L C 2.311 179.044 176.870 -0.230 0.000 1.073 580 L CA 2.028 56.890 54.840 0.036 0.000 0.745 580 L CB -1.325 40.819 42.059 0.142 0.000 0.894 580 L HN 0.114 nan 8.230 nan 0.000 0.432 581 A N -0.613 121.809 122.820 -0.663 0.000 1.972 581 A HA -0.222 4.099 4.320 0.001 0.000 0.219 581 A C 2.312 179.698 177.584 -0.330 0.000 1.169 581 A CA 1.924 53.518 52.037 -0.737 0.000 0.635 581 A CB -0.519 17.677 19.000 -1.340 0.000 0.810 581 A HN 0.562 nan 8.150 nan 0.000 0.446 582 K N -0.464 119.813 120.400 -0.205 0.000 2.228 582 K HA -0.049 4.271 4.320 0.001 0.000 0.202 582 K C 1.908 178.513 176.600 0.008 0.000 1.051 582 K CA 0.895 57.142 56.287 -0.066 0.000 0.960 582 K CB -0.171 32.318 32.500 -0.018 0.000 0.743 582 K HN 0.590 nan 8.250 nan 0.000 0.458 583 N N 1.162 119.879 118.700 0.030 0.000 2.244 583 N HA -0.107 4.634 4.740 0.001 0.000 0.183 583 N C 1.711 177.292 175.510 0.118 0.000 1.016 583 N CA 0.764 53.904 53.050 0.148 0.000 0.866 583 N CB 0.136 38.709 38.487 0.143 0.000 0.980 583 N HN 0.126 nan 8.380 nan 0.000 0.430 584 I N 0.958 121.501 120.570 -0.046 0.000 2.252 584 I HA -0.215 3.955 4.170 0.001 0.000 0.245 584 I C 2.200 178.246 176.117 -0.118 0.000 1.102 584 I CA 0.654 61.873 61.300 -0.134 0.000 1.385 584 I CB -0.096 37.752 38.000 -0.253 0.000 1.064 584 I HN 0.126 nan 8.210 nan 0.000 0.414 585 I N 0.089 120.624 120.570 -0.058 0.000 2.163 585 I HA -0.355 3.816 4.170 0.001 0.000 0.243 585 I C 2.529 178.588 176.117 -0.096 0.000 1.085 585 I CA 1.557 62.830 61.300 -0.046 0.000 1.347 585 I CB -0.411 37.539 38.000 -0.083 0.000 1.044 585 I HN 0.186 nan 8.210 nan 0.000 0.408 586 F N 1.941 121.793 119.950 -0.162 0.000 2.069 586 F HA -0.283 4.245 4.527 0.001 0.000 0.298 586 F C 2.514 178.259 175.800 -0.091 0.000 1.113 586 F CA 1.434 59.384 58.000 -0.084 0.000 1.214 586 F CB -0.870 38.171 39.000 0.069 0.000 0.978 586 F HN 0.039 nan 8.300 nan 0.000 0.474 587 A N 0.802 123.454 122.820 -0.279 0.000 1.892 587 A HA -0.221 4.099 4.320 0.001 0.000 0.218 587 A C 2.401 179.602 177.584 -0.638 0.000 1.188 587 A CA 2.287 53.797 52.037 -0.879 0.000 0.631 587 A CB -1.381 17.053 19.000 -0.943 0.000 0.822 587 A HN 0.506 nan 8.150 nan 0.000 0.447 588 I N -0.083 120.225 120.570 -0.437 0.000 2.163 588 I HA -0.312 3.858 4.170 0.001 0.000 0.243 588 I C 2.268 178.193 176.117 -0.320 0.000 1.085 588 I CA 1.502 62.553 61.300 -0.415 0.000 1.347 588 I CB -0.521 37.191 38.000 -0.480 0.000 1.044 588 I HN 0.327 nan 8.210 nan 0.000 0.408 589 N N 0.701 119.232 118.700 -0.283 0.000 2.120 589 N HA -0.144 4.597 4.740 0.001 0.000 0.188 589 N C 1.812 177.193 175.510 -0.215 0.000 1.024 589 N CA 1.128 54.028 53.050 -0.251 0.000 0.852 589 N CB -0.161 38.109 38.487 -0.362 0.000 1.003 589 N HN 0.236 nan 8.380 nan 0.000 0.424 590 K N 0.721 120.951 120.400 -0.283 0.000 2.062 590 K HA 0.057 4.377 4.320 0.001 0.000 0.205 590 K C 2.122 178.628 176.600 -0.157 0.000 1.051 590 K CA 0.305 56.476 56.287 -0.194 0.000 0.941 590 K CB -0.792 31.578 32.500 -0.218 0.000 0.719 590 K HN 0.011 nan 8.250 nan 0.000 0.440 591 V N 1.765 121.449 119.914 -0.383 0.000 2.295 591 V HA -0.253 3.868 4.120 0.001 0.000 0.246 591 V C 2.447 178.369 176.094 -0.287 0.000 1.049 591 V CA 1.972 63.948 62.300 -0.539 0.000 1.024 591 V CB -0.836 30.527 31.823 -0.768 0.000 0.648 591 V HN 0.278 nan 8.190 nan 0.000 0.447 592 A N -0.078 122.603 122.820 -0.232 0.000 1.892 592 A HA -0.315 4.006 4.320 0.001 0.000 0.218 592 A C 2.000 179.525 177.584 -0.099 0.000 1.188 592 A CA 2.282 54.232 52.037 -0.145 0.000 0.631 592 A CB -0.794 18.158 19.000 -0.081 0.000 0.822 592 A HN 0.542 nan 8.150 nan 0.000 0.447 593 D N -0.542 119.817 120.400 -0.067 0.000 2.149 593 D HA -0.106 4.535 4.640 0.001 0.000 0.198 593 D C 2.034 178.331 176.300 -0.004 0.000 0.990 593 D CA 1.405 55.391 54.000 -0.023 0.000 0.839 593 D CB -0.311 40.487 40.800 -0.004 0.000 0.948 593 D HN 0.247 nan 8.370 nan 0.000 0.460 594 V N 0.917 120.847 119.914 0.027 0.000 2.283 594 V HA -0.165 3.956 4.120 0.001 0.000 0.243 594 V C 2.550 178.621 176.094 -0.039 0.000 1.039 594 V CA 0.914 63.258 62.300 0.073 0.000 1.016 594 V CB -0.290 31.698 31.823 0.274 0.000 0.650 594 V HN 0.170 nan 8.190 nan 0.000 0.449 595 I N 0.940 121.380 120.570 -0.217 0.000 2.194 595 I HA -0.271 3.900 4.170 0.001 0.000 0.246 595 I C 2.185 178.185 176.117 -0.195 0.000 1.093 595 I CA 1.635 62.675 61.300 -0.433 0.000 1.355 595 I CB -0.585 37.079 38.000 -0.561 0.000 1.046 595 I HN 0.382 nan 8.210 nan 0.000 0.413 596 N N 0.909 119.540 118.700 -0.116 0.000 2.453 596 N HA -0.102 4.638 4.740 0.001 0.000 0.183 596 N C 0.953 176.446 175.510 -0.029 0.000 1.041 596 N CA 0.886 53.900 53.050 -0.060 0.000 0.900 596 N CB -0.293 38.171 38.487 -0.038 0.000 0.961 596 N HN 0.448 nan 8.380 nan 0.000 0.443 597 N N 0.206 118.894 118.700 -0.020 0.000 2.200 597 N HA -0.021 4.720 4.740 0.001 0.000 0.224 597 N C -0.737 174.785 175.510 0.020 0.000 1.179 597 N CA -0.076 52.976 53.050 0.004 0.000 0.877 597 N CB 0.813 39.306 38.487 0.010 0.000 1.072 597 N HN 0.072 nan 8.380 nan 0.000 0.519 598 D N 2.488 122.904 120.400 0.027 0.000 2.365 598 D HA 0.125 4.766 4.640 0.001 0.000 0.237 598 D C -1.264 175.071 176.300 0.058 0.000 1.190 598 D CA -1.954 52.087 54.000 0.068 0.000 0.867 598 D CB 1.602 42.488 40.800 0.144 0.000 1.050 598 D HN 0.072 nan 8.370 nan 0.000 0.491 599 P HA -0.164 nan 4.420 nan 0.000 0.221 599 P C 1.506 178.831 177.300 0.042 0.000 1.145 599 P CA 0.240 63.361 63.100 0.035 0.000 0.795 599 P CB 0.557 32.273 31.700 0.027 0.000 0.775 600 L N -0.895 120.363 121.223 0.058 0.000 2.376 600 L HA -0.037 4.304 4.340 0.001 0.000 0.219 600 L C 2.291 179.205 176.870 0.073 0.000 1.133 600 L CA 1.208 56.083 54.840 0.058 0.000 0.816 600 L CB -0.647 41.449 42.059 0.061 0.000 0.933 600 L HN -0.212 nan 8.230 nan 0.000 0.449 601 V N -1.217 118.751 119.914 0.091 0.000 2.436 601 V HA 0.323 4.443 4.120 0.001 0.000 0.240 601 V C 1.863 177.983 176.094 0.044 0.000 1.040 601 V CA 0.855 63.207 62.300 0.086 0.000 1.052 601 V CB -0.878 31.001 31.823 0.093 0.000 0.707 601 V HN 0.563 nan 8.190 nan 0.000 0.469 602 G N 0.711 109.530 108.800 0.030 0.000 2.611 602 G HA2 -0.382 3.579 3.960 0.001 0.000 0.301 602 G HA3 -0.382 3.579 3.960 0.001 0.000 0.301 602 G C 0.425 175.332 174.900 0.012 0.000 1.233 602 G CA 0.620 45.731 45.100 0.019 0.000 0.993 602 G HN 0.379 nan 8.290 nan 0.000 0.553 603 D N 0.944 121.352 120.400 0.012 0.000 2.363 603 D HA 0.113 4.753 4.640 0.001 0.000 0.226 603 D C 2.295 178.600 176.300 0.007 0.000 1.020 603 D CA 0.553 54.559 54.000 0.010 0.000 0.892 603 D CB 0.024 40.831 40.800 0.013 0.000 0.900 603 D HN 0.525 nan 8.370 nan 0.000 0.531 604 K N -0.449 119.959 120.400 0.013 0.000 2.217 604 K HA 0.069 4.390 4.320 0.001 0.000 0.202 604 K C 0.609 177.217 176.600 0.014 0.000 1.051 604 K CA 0.567 56.861 56.287 0.013 0.000 0.952 604 K CB 1.076 33.593 32.500 0.027 0.000 0.736 604 K HN 0.080 nan 8.250 nan 0.000 0.453 605 L N 0.653 121.884 121.223 0.014 0.000 2.611 605 L HA 0.300 4.640 4.340 0.001 0.000 0.260 605 L C -1.757 175.109 176.870 -0.007 0.000 0.924 605 L CA -0.581 54.273 54.840 0.023 0.000 0.901 605 L CB 1.893 43.968 42.059 0.026 0.000 1.369 605 L HN -0.108 nan 8.230 nan 0.000 0.415 606 K N 3.212 123.618 120.400 0.011 0.000 2.477 606 K HA 0.684 5.005 4.320 0.001 0.000 0.255 606 K C -1.530 175.090 176.600 0.034 0.000 0.952 606 K CA -0.698 55.581 56.287 -0.014 0.000 0.826 606 K CB 3.146 35.625 32.500 -0.035 0.000 1.331 606 K HN 0.300 nan 8.250 nan 0.000 0.437 607 V N 1.836 121.760 119.914 0.016 0.000 2.443 607 V HA 0.347 4.468 4.120 0.001 0.000 0.293 607 V C -0.672 175.465 176.094 0.072 0.000 1.021 607 V CA -0.936 61.411 62.300 0.078 0.000 0.848 607 V CB 1.869 33.721 31.823 0.049 0.000 0.998 607 V HN 0.435 nan 8.190 nan 0.000 0.424 608 V N 5.511 125.480 119.914 0.092 0.000 2.409 608 V HA 0.461 4.581 4.120 0.001 0.000 0.291 608 V C -0.788 175.445 176.094 0.232 0.000 1.020 608 V CA -0.500 61.866 62.300 0.110 0.000 0.848 608 V CB 1.722 33.556 31.823 0.019 0.000 0.990 608 V HN 0.688 nan 8.190 nan 0.000 0.430 609 F N 6.176 126.209 119.950 0.138 0.000 2.308 609 F HA 0.528 5.055 4.527 0.001 0.000 0.370 609 F C -0.241 175.735 175.800 0.294 0.000 1.100 609 F CA -1.507 56.620 58.000 0.212 0.000 1.108 609 F CB 0.915 39.933 39.000 0.029 0.000 1.293 609 F HN 0.212 nan 8.300 nan 0.000 0.478 610 L N 8.216 129.786 121.223 0.578 0.000 2.410 610 L HA 0.243 4.583 4.340 0.001 0.000 0.273 610 L C -1.979 175.152 176.870 0.436 0.000 1.144 610 L CA -1.640 53.434 54.840 0.389 0.000 0.863 610 L CB 0.252 42.492 42.059 0.303 0.000 1.140 610 L HN 0.390 nan 8.230 nan 0.000 0.463 611 P HA 0.097 nan 4.420 nan 0.000 0.275 611 P C -0.149 177.127 177.300 -0.040 0.000 1.227 611 P CA -0.130 62.842 63.100 -0.213 0.000 0.781 611 P CB 0.694 32.126 31.700 -0.447 0.000 0.906 612 D N 0.086 120.450 120.400 -0.059 0.000 2.767 612 D HA -0.229 4.412 4.640 0.001 0.000 0.239 612 D C -0.770 175.599 176.300 0.116 0.000 1.103 612 D CA 0.410 54.409 54.000 -0.001 0.000 0.710 612 D CB -2.076 38.701 40.800 -0.039 0.000 1.084 612 D HN 0.334 nan 8.370 nan 0.000 0.435 613 Y N 0.834 121.182 120.300 0.080 0.000 2.810 613 Y HA 0.236 4.787 4.550 0.001 0.000 0.332 613 Y C 0.879 176.810 175.900 0.052 0.000 1.243 613 Y CA 0.236 58.404 58.100 0.112 0.000 1.537 613 Y CB 0.060 38.607 38.460 0.146 0.000 1.265 613 Y HN 0.449 nan 8.280 nan 0.000 0.572 614 C N 3.090 122.092 119.300 -0.496 0.000 3.314 614 C HA 0.463 4.923 4.460 0.001 0.000 0.344 614 C C 1.021 175.761 174.990 -0.416 0.000 1.461 614 C CA -0.458 58.307 59.018 -0.422 0.000 1.249 614 C CB 0.565 28.199 27.740 -0.178 0.000 1.632 614 C HN 0.635 nan 8.230 nan 0.000 0.452 615 V N 1.515 121.300 119.914 -0.214 0.000 2.287 615 V HA -0.167 3.954 4.120 0.001 0.000 0.248 615 V C 2.681 178.745 176.094 -0.051 0.000 1.053 615 V CA 3.050 65.318 62.300 -0.053 0.000 1.027 615 V CB -0.953 30.851 31.823 -0.031 0.000 0.646 615 V HN 0.961 nan 8.190 nan 0.000 0.447 616 S N -0.086 115.563 115.700 -0.085 0.000 2.368 616 S HA -0.169 4.302 4.470 0.001 0.000 0.225 616 S C 2.198 176.739 174.600 -0.098 0.000 1.030 616 S CA 1.422 59.571 58.200 -0.086 0.000 0.999 616 S CB -0.468 62.696 63.200 -0.061 0.000 0.844 616 S HN 0.666 nan 8.310 nan 0.000 0.459 617 A N 1.530 124.338 122.820 -0.020 0.000 1.898 617 A HA 0.132 4.452 4.320 0.001 0.000 0.216 617 A C 2.359 180.030 177.584 0.145 0.000 1.181 617 A CA 1.646 53.729 52.037 0.077 0.000 0.620 617 A CB -1.090 18.111 19.000 0.334 0.000 0.819 617 A HN 0.512 nan 8.150 nan 0.000 0.442 618 A N -0.081 122.848 122.820 0.181 0.000 1.940 618 A HA -0.205 4.116 4.320 0.001 0.000 0.219 618 A C 1.870 179.651 177.584 0.330 0.000 1.176 618 A CA 1.723 53.972 52.037 0.354 0.000 0.631 618 A CB -0.549 18.665 19.000 0.356 0.000 0.814 618 A HN 0.658 nan 8.150 nan 0.000 0.446 619 E N -0.397 119.928 120.200 0.208 0.000 2.204 619 E HA -0.153 4.198 4.350 0.001 0.000 0.194 619 E C 1.775 178.389 176.600 0.023 0.000 0.989 619 E CA 1.028 57.494 56.400 0.110 0.000 0.824 619 E CB -0.006 29.645 29.700 -0.082 0.000 0.756 619 E HN 0.464 nan 8.360 nan 0.000 0.477 620 K N 0.271 120.623 120.400 -0.079 0.000 2.166 620 K HA 0.011 4.332 4.320 0.001 0.000 0.201 620 K C 2.187 178.802 176.600 0.026 0.000 1.052 620 K CA 0.453 56.662 56.287 -0.130 0.000 0.969 620 K CB -0.037 32.178 32.500 -0.474 0.000 0.761 620 K HN 0.153 nan 8.250 nan 0.000 0.459 621 L N 0.800 122.081 121.223 0.097 0.000 2.072 621 L HA -0.051 4.289 4.340 0.001 0.000 0.205 621 L C 2.411 179.359 176.870 0.130 0.000 1.079 621 L CA 0.873 55.798 54.840 0.143 0.000 0.752 621 L CB -0.320 41.842 42.059 0.172 0.000 0.906 621 L HN 0.024 nan 8.230 nan 0.000 0.436 622 I N -0.201 120.454 120.570 0.141 0.000 2.202 622 I HA -0.188 3.982 4.170 0.001 0.000 0.242 622 I C -0.423 175.752 176.117 0.098 0.000 1.091 622 I CA 1.249 62.620 61.300 0.117 0.000 1.368 622 I CB -1.189 36.894 38.000 0.138 0.000 1.058 622 I HN 0.189 nan 8.210 nan 0.000 0.410 623 P HA -0.134 nan 4.420 nan 0.000 0.222 623 P C 0.981 178.305 177.300 0.041 0.000 1.147 623 P CA 1.309 64.438 63.100 0.049 0.000 0.790 623 P CB 0.042 31.762 31.700 0.032 0.000 0.780 624 A N -1.094 121.779 122.820 0.087 0.000 2.238 624 A HA 0.455 4.775 4.320 0.001 0.000 0.210 624 A C 1.197 178.870 177.584 0.149 0.000 1.179 624 A CA 0.128 52.234 52.037 0.114 0.000 0.827 624 A CB -0.760 18.378 19.000 0.230 0.000 0.856 624 A HN 0.194 nan 8.150 nan 0.000 0.488 625 A N 0.204 123.107 122.820 0.139 0.000 2.462 625 A HA 0.385 4.705 4.320 0.001 0.000 0.243 625 A C 0.444 178.125 177.584 0.160 0.000 1.076 625 A CA 0.197 52.321 52.037 0.146 0.000 0.773 625 A CB 0.227 19.284 19.000 0.095 0.000 1.010 625 A HN 0.325 nan 8.150 nan 0.000 0.493 626 D N 0.399 120.909 120.400 0.183 0.000 2.431 626 D HA 0.132 4.772 4.640 0.001 0.000 0.235 626 D C 0.079 176.601 176.300 0.370 0.000 0.980 626 D CA 0.840 55.042 54.000 0.337 0.000 0.912 626 D CB 0.227 41.151 40.800 0.205 0.000 1.056 626 D HN 0.353 nan 8.370 nan 0.000 0.494 627 I N 1.185 121.863 120.570 0.180 0.000 2.378 627 I HA 0.154 4.324 4.170 0.001 0.000 0.291 627 I C -0.015 176.135 176.117 0.056 0.000 0.992 627 I CA -0.635 60.740 61.300 0.124 0.000 1.154 627 I CB 1.552 39.565 38.000 0.022 0.000 1.315 627 I HN -0.238 nan 8.210 nan 0.000 0.448 628 S N 6.619 122.359 115.700 0.067 0.000 2.422 628 S HA 0.308 4.778 4.470 0.001 0.000 0.308 628 S C -0.159 174.466 174.600 0.041 0.000 1.097 628 S CA -0.573 57.644 58.200 0.028 0.000 1.099 628 S CB 0.358 63.569 63.200 0.018 0.000 0.976 628 S HN 0.402 nan 8.310 nan 0.000 0.471 629 E N 3.963 124.172 120.200 0.014 0.000 2.152 629 E HA 0.208 4.558 4.350 0.001 0.000 0.285 629 E C -0.470 176.150 176.600 0.032 0.000 1.043 629 E CA -0.243 56.188 56.400 0.051 0.000 0.839 629 E CB 0.952 30.662 29.700 0.017 0.000 1.069 629 E HN 0.606 nan 8.360 nan 0.000 0.399 630 Q N 2.795 122.638 119.800 0.072 0.000 3.244 630 Q HA 0.256 4.597 4.340 0.001 0.000 0.249 630 Q C 0.507 176.530 176.000 0.038 0.000 0.951 630 Q CA -0.104 55.715 55.803 0.026 0.000 0.740 630 Q CB 0.267 29.005 28.738 0.000 0.000 1.334 630 Q HN 0.609 nan 8.270 nan 0.000 0.448 631 I N -1.716 118.874 120.570 0.032 0.000 3.654 631 I HA 0.285 4.456 4.170 0.001 0.000 0.337 631 I C 0.414 176.522 176.117 -0.016 0.000 1.568 631 I CA -0.656 60.668 61.300 0.039 0.000 1.115 631 I CB 0.455 38.470 38.000 0.024 0.000 1.300 631 I HN 0.002 nan 8.210 nan 0.000 0.471 632 S N 0.327 116.025 115.700 -0.004 0.000 2.573 632 S HA 0.181 4.652 4.470 0.001 0.000 0.277 632 S C 0.574 175.194 174.600 0.034 0.000 1.346 632 S CA -0.289 57.947 58.200 0.061 0.000 1.034 632 S CB 0.323 63.615 63.200 0.153 0.000 0.879 632 S HN 0.380 nan 8.310 nan 0.000 0.528 633 T N 2.732 117.352 114.554 0.111 0.000 2.902 633 T HA 0.373 4.724 4.350 0.001 0.000 0.301 633 T C 0.746 175.461 174.700 0.026 0.000 1.012 633 T CA 0.264 62.413 62.100 0.082 0.000 1.151 633 T CB -0.038 68.959 68.868 0.215 0.000 0.946 633 T HN 0.984 nan 8.240 nan 0.000 0.542 634 A N 2.750 125.549 122.820 -0.035 0.000 2.567 634 A HA 0.473 4.794 4.320 0.001 0.000 0.240 634 A C 1.623 179.185 177.584 -0.037 0.000 1.053 634 A CA 0.274 52.281 52.037 -0.050 0.000 0.755 634 A CB -0.766 18.196 19.000 -0.063 0.000 0.978 634 A HN 1.654 nan 8.150 nan 0.000 0.507 635 G N 1.826 110.602 108.800 -0.041 0.000 2.176 635 G HA2 -0.191 3.770 3.960 0.001 0.000 0.232 635 G HA3 -0.191 3.770 3.960 0.001 0.000 0.232 635 G C 0.812 175.668 174.900 -0.073 0.000 0.986 635 G CA 0.553 45.626 45.100 -0.045 0.000 0.643 635 G HN 0.684 nan 8.290 nan 0.000 0.522 636 K N -0.071 120.269 120.400 -0.099 0.000 2.350 636 K HA 0.200 4.520 4.320 0.001 0.000 0.196 636 K C 0.658 176.973 176.600 -0.474 0.000 1.084 636 K CA 0.298 56.417 56.287 -0.280 0.000 0.967 636 K CB 0.505 32.876 32.500 -0.215 0.000 0.950 636 K HN 0.356 nan 8.250 nan 0.000 0.512 637 E N 1.674 121.770 120.200 -0.172 0.000 1.996 637 E HA 0.277 4.628 4.350 0.001 0.000 0.280 637 E C 0.648 177.171 176.600 -0.128 0.000 1.092 637 E CA -0.135 56.232 56.400 -0.055 0.000 0.862 637 E CB 1.027 30.793 29.700 0.110 0.000 1.066 637 E HN 0.180 nan 8.360 nan 0.000 0.396 638 A N 3.419 126.088 122.820 -0.251 0.000 1.873 638 A HA -0.219 4.101 4.320 0.001 0.000 0.218 638 A C 1.995 179.458 177.584 -0.202 0.000 1.193 638 A CA 2.274 54.042 52.037 -0.447 0.000 0.629 638 A CB -0.318 18.131 19.000 -0.918 0.000 0.826 638 A HN 0.603 nan 8.150 nan 0.000 0.447 639 S N -3.906 111.724 115.700 -0.116 0.000 3.792 639 S HA 0.457 4.928 4.470 0.001 0.000 0.229 639 S C 0.707 175.290 174.600 -0.028 0.000 1.118 639 S CA 1.438 59.619 58.200 -0.031 0.000 0.877 639 S CB -0.070 63.138 63.200 0.013 0.000 1.077 639 S HN 2.277 nan 8.310 nan 0.000 0.546 640 G N 0.290 109.076 108.800 -0.024 0.000 2.705 640 G HA2 -0.063 3.897 3.960 0.001 0.000 0.686 640 G HA3 -0.063 3.897 3.960 0.001 0.000 0.686 640 G C 0.240 175.107 174.900 -0.055 0.000 1.285 640 G CA 0.460 45.539 45.100 -0.034 0.000 0.800 640 G HN 1.284 nan 8.290 nan 0.000 0.611 641 T N -2.111 112.392 114.554 -0.084 0.000 3.051 641 T HA 0.379 4.730 4.350 0.001 0.000 0.254 641 T C 2.377 176.959 174.700 -0.197 0.000 0.916 641 T CA 1.254 63.281 62.100 -0.122 0.000 0.894 641 T CB 0.264 69.062 68.868 -0.117 0.000 1.251 641 T HN 1.903 nan 8.240 nan 0.000 0.517 642 G N 3.407 112.099 108.800 -0.181 0.000 2.442 642 G HA2 -0.288 3.673 3.960 0.001 0.000 0.219 642 G HA3 -0.288 3.673 3.960 0.001 0.000 0.219 642 G C 1.559 176.353 174.900 -0.177 0.000 1.141 642 G CA 1.382 46.358 45.100 -0.206 0.000 0.763 642 G HN 0.689 nan 8.290 nan 0.000 0.554 643 N N 1.046 119.656 118.700 -0.150 0.000 2.091 643 N HA -0.210 4.531 4.740 0.001 0.000 0.193 643 N C 2.003 177.389 175.510 -0.207 0.000 1.021 643 N CA 2.112 55.068 53.050 -0.157 0.000 0.862 643 N CB -0.738 37.655 38.487 -0.157 0.000 1.018 643 N HN 0.422 nan 8.380 nan 0.000 0.429 644 M N 0.193 119.643 119.600 -0.251 0.000 2.099 644 M HA -0.011 4.470 4.480 0.001 0.000 0.262 644 M C 2.104 178.323 176.300 -0.135 0.000 1.067 644 M CA 1.553 56.699 55.300 -0.257 0.000 1.124 644 M CB -0.182 32.300 32.600 -0.196 0.000 1.353 644 M HN 0.096 nan 8.290 nan 0.000 0.410 645 K N 0.514 120.807 120.400 -0.178 0.000 2.032 645 K HA -0.141 4.180 4.320 0.001 0.000 0.209 645 K C 1.839 178.399 176.600 -0.067 0.000 1.048 645 K CA 1.313 57.506 56.287 -0.157 0.000 0.927 645 K CB -0.420 31.838 32.500 -0.403 0.000 0.712 645 K HN 0.265 nan 8.250 nan 0.000 0.441 646 L N 0.434 121.606 121.223 -0.086 0.000 2.056 646 L HA -0.170 4.171 4.340 0.001 0.000 0.207 646 L C 2.597 179.462 176.870 -0.008 0.000 1.078 646 L CA 1.159 55.979 54.840 -0.032 0.000 0.749 646 L CB -0.544 41.492 42.059 -0.039 0.000 0.901 646 L HN 0.226 nan 8.230 nan 0.000 0.433 647 A N 0.114 122.911 122.820 -0.038 0.000 1.858 647 A HA -0.194 4.127 4.320 0.001 0.000 0.216 647 A C 2.246 179.848 177.584 0.029 0.000 1.190 647 A CA 1.550 53.575 52.037 -0.019 0.000 0.617 647 A CB -0.873 18.084 19.000 -0.070 0.000 0.827 647 A HN 0.344 nan 8.150 nan 0.000 0.443 648 L N -0.070 121.176 121.223 0.037 0.000 2.127 648 L HA -0.188 4.153 4.340 0.001 0.000 0.211 648 L C 1.587 178.500 176.870 0.072 0.000 1.089 648 L CA 1.108 55.992 54.840 0.073 0.000 0.757 648 L CB -0.413 41.703 42.059 0.095 0.000 0.899 648 L HN 0.448 nan 8.230 nan 0.000 0.434 649 N N -0.134 118.600 118.700 0.058 0.000 2.322 649 N HA 0.044 4.785 4.740 0.001 0.000 0.194 649 N C 1.007 176.541 175.510 0.040 0.000 1.126 649 N CA 0.904 53.974 53.050 0.034 0.000 0.845 649 N CB 0.817 39.329 38.487 0.041 0.000 0.976 649 N HN 0.407 nan 8.380 nan 0.000 0.475 650 G N 0.473 109.345 108.800 0.119 0.000 2.164 650 G HA2 -0.180 3.780 3.960 0.001 0.000 0.212 650 G HA3 -0.180 3.780 3.960 0.001 0.000 0.212 650 G C -0.021 174.983 174.900 0.173 0.000 1.031 650 G CA 0.062 45.292 45.100 0.217 0.000 0.730 650 G HN 0.508 nan 8.290 nan 0.000 0.501 651 A N -0.248 122.640 122.820 0.113 0.000 2.295 651 A HA 0.875 5.196 4.320 0.001 0.000 0.318 651 A C 0.360 177.968 177.584 0.041 0.000 1.134 651 A CA -0.560 51.552 52.037 0.126 0.000 0.827 651 A CB 0.881 19.943 19.000 0.103 0.000 1.136 651 A HN 0.783 nan 8.150 nan 0.000 0.493 652 L N 1.266 122.503 121.223 0.022 0.000 2.325 652 L HA 0.383 4.724 4.340 0.001 0.000 0.279 652 L C 0.193 177.132 176.870 0.116 0.000 1.054 652 L CA -0.451 54.371 54.840 -0.029 0.000 0.804 652 L CB 1.633 43.592 42.059 -0.168 0.000 1.200 652 L HN 0.679 nan 8.230 nan 0.000 0.436 653 T N 2.206 116.825 114.554 0.109 0.000 2.817 653 T HA 0.325 4.676 4.350 0.001 0.000 0.293 653 T C -0.061 174.803 174.700 0.273 0.000 0.964 653 T CA -0.329 61.852 62.100 0.135 0.000 1.085 653 T CB 1.511 70.410 68.868 0.052 0.000 0.921 653 T HN 0.196 nan 8.240 nan 0.000 0.502 654 V N 3.365 123.429 119.914 0.251 0.000 2.347 654 V HA 0.784 4.905 4.120 0.001 0.000 0.280 654 V C 0.589 176.919 176.094 0.394 0.000 1.021 654 V CA -0.263 62.239 62.300 0.338 0.000 0.847 654 V CB 1.061 33.001 31.823 0.195 0.000 0.990 654 V HN 1.088 nan 8.190 nan 0.000 0.444 655 G N 2.700 111.748 108.800 0.414 0.000 2.698 655 G HA2 0.623 4.584 3.960 0.001 0.000 0.293 655 G HA3 0.623 4.584 3.960 0.001 0.000 0.293 655 G C -0.516 174.247 174.900 -0.229 0.000 1.437 655 G CA -0.211 44.985 45.100 0.160 0.000 0.852 655 G HN 0.662 nan 8.290 nan 0.000 0.499 656 T N -1.117 113.168 114.554 -0.448 0.000 2.849 656 T HA 0.498 4.849 4.350 0.001 0.000 0.284 656 T C 0.641 175.186 174.700 -0.258 0.000 1.004 656 T CA -0.635 61.126 62.100 -0.565 0.000 1.021 656 T CB 1.223 69.790 68.868 -0.501 0.000 1.013 656 T HN 0.362 nan 8.240 nan 0.000 0.527 657 L N 2.039 123.135 121.223 -0.212 0.000 2.384 657 L HA 0.326 4.667 4.340 0.001 0.000 0.258 657 L C -0.067 176.750 176.870 -0.087 0.000 1.266 657 L CA 0.045 54.816 54.840 -0.115 0.000 1.162 657 L CB -0.731 41.274 42.059 -0.090 0.000 1.375 657 L HN 0.720 nan 8.230 nan 0.000 0.420 658 D N 0.598 120.952 120.400 -0.077 0.000 2.756 658 D HA 0.544 5.184 4.640 0.001 0.000 0.226 658 D C 0.525 176.805 176.300 -0.034 0.000 1.186 658 D CA 0.692 54.660 54.000 -0.053 0.000 0.845 658 D CB 2.153 42.917 40.800 -0.060 0.000 1.610 658 D HN 0.349 nan 8.370 nan 0.000 0.465 659 G N 1.818 110.608 108.800 -0.017 0.000 2.627 659 G HA2 -0.255 3.706 3.960 0.001 0.000 0.312 659 G HA3 -0.255 3.706 3.960 0.001 0.000 0.312 659 G C 1.024 175.927 174.900 0.006 0.000 1.299 659 G CA 1.233 46.330 45.100 -0.005 0.000 0.989 659 G HN 1.094 nan 8.290 nan 0.000 0.547 660 A N -0.278 122.538 122.820 -0.006 0.000 2.206 660 A HA 0.143 4.464 4.320 0.001 0.000 0.211 660 A C 2.080 179.627 177.584 -0.062 0.000 1.158 660 A CA 1.661 53.700 52.037 0.003 0.000 0.761 660 A CB -0.391 18.609 19.000 0.001 0.000 0.801 660 A HN 0.586 nan 8.150 nan 0.000 0.473 661 N N 0.337 118.994 118.700 -0.071 0.000 2.149 661 N HA -0.164 4.576 4.740 0.001 0.000 0.188 661 N C 1.800 177.284 175.510 -0.042 0.000 1.019 661 N CA 1.614 54.617 53.050 -0.079 0.000 0.857 661 N CB -0.617 37.829 38.487 -0.069 0.000 0.997 661 N HN 0.472 nan 8.380 nan 0.000 0.426 662 V N 0.489 120.394 119.914 -0.015 0.000 2.453 662 V HA -0.125 3.996 4.120 0.001 0.000 0.247 662 V C 1.648 177.769 176.094 0.045 0.000 1.048 662 V CA 1.591 63.893 62.300 0.004 0.000 1.049 662 V CB -0.302 31.520 31.823 -0.002 0.000 0.672 662 V HN 0.192 nan 8.190 nan 0.000 0.457 663 E N 0.296 120.552 120.200 0.094 0.000 2.106 663 E HA -0.093 4.258 4.350 0.001 0.000 0.192 663 E C 2.118 178.896 176.600 0.297 0.000 0.984 663 E CA 1.688 58.213 56.400 0.208 0.000 0.806 663 E CB -0.241 29.650 29.700 0.318 0.000 0.750 663 E HN 0.686 nan 8.360 nan 0.000 0.458 664 I N 1.249 121.897 120.570 0.130 0.000 2.179 664 I HA -0.268 3.903 4.170 0.001 0.000 0.242 664 I C 2.547 178.693 176.117 0.049 0.000 1.088 664 I CA 1.029 62.346 61.300 0.027 0.000 1.357 664 I CB -0.302 37.552 38.000 -0.244 0.000 1.051 664 I HN 0.084 nan 8.210 nan 0.000 0.409 665 A N 1.352 124.178 122.820 0.009 0.000 1.908 665 A HA -0.269 4.051 4.320 0.001 0.000 0.218 665 A C 2.185 179.775 177.584 0.010 0.000 1.181 665 A CA 2.145 54.178 52.037 -0.006 0.000 0.627 665 A CB -0.829 18.158 19.000 -0.021 0.000 0.818 665 A HN 0.654 nan 8.150 nan 0.000 0.445 666 E N -0.557 119.664 120.200 0.035 0.000 2.110 666 E HA -0.193 4.157 4.350 0.001 0.000 0.193 666 E C 1.749 178.369 176.600 0.034 0.000 0.988 666 E CA 1.285 57.702 56.400 0.029 0.000 0.804 666 E CB -0.138 29.582 29.700 0.032 0.000 0.745 666 E HN 0.320 nan 8.360 nan 0.000 0.458 667 K N 0.806 121.252 120.400 0.076 0.000 2.076 667 K HA -0.027 4.294 4.320 0.001 0.000 0.204 667 K C 2.424 179.047 176.600 0.038 0.000 1.051 667 K CA 1.423 57.752 56.287 0.070 0.000 0.949 667 K CB -0.149 32.438 32.500 0.146 0.000 0.726 667 K HN 0.357 nan 8.250 nan 0.000 0.443 668 V N -2.272 117.660 119.914 0.030 0.000 2.788 668 V HA 0.262 4.383 4.120 0.001 0.000 0.251 668 V C 0.769 176.836 176.094 -0.045 0.000 1.068 668 V CA 0.792 63.086 62.300 -0.011 0.000 1.090 668 V CB -0.690 31.116 31.823 -0.029 0.000 0.710 668 V HN 0.329 nan 8.190 nan 0.000 0.467 669 G N 1.358 110.133 108.800 -0.042 0.000 2.784 669 G HA2 -0.133 3.828 3.960 0.001 0.000 0.686 669 G HA3 -0.133 3.828 3.960 0.001 0.000 0.686 669 G C 0.152 175.002 174.900 -0.083 0.000 1.156 669 G CA 0.111 45.176 45.100 -0.057 0.000 0.757 669 G HN 0.824 nan 8.290 nan 0.000 0.642 670 E N 0.321 120.475 120.200 -0.077 0.000 2.204 670 E HA -0.170 4.180 4.350 0.001 0.000 0.195 670 E C 1.724 178.239 176.600 -0.142 0.000 0.990 670 E CA 1.513 57.857 56.400 -0.093 0.000 0.821 670 E CB -0.092 29.569 29.700 -0.064 0.000 0.750 670 E HN 0.672 nan 8.360 nan 0.000 0.477 671 E N 1.166 121.285 120.200 -0.134 0.000 2.478 671 E HA -0.096 4.255 4.350 0.001 0.000 0.198 671 E C 0.491 176.943 176.600 -0.247 0.000 1.046 671 E CA 0.398 56.698 56.400 -0.167 0.000 0.870 671 E CB -0.271 29.359 29.700 -0.116 0.000 0.818 671 E HN 0.299 nan 8.360 nan 0.000 0.527 672 N N 0.616 119.170 118.700 -0.244 0.000 2.328 672 N HA 0.302 5.043 4.740 0.001 0.000 0.247 672 N C -0.343 174.964 175.510 -0.338 0.000 1.165 672 N CA -0.035 52.844 53.050 -0.285 0.000 0.873 672 N CB 1.352 39.724 38.487 -0.193 0.000 1.125 672 N HN 0.239 nan 8.380 nan 0.000 0.513 673 I N -0.897 119.408 120.570 -0.442 0.000 2.800 673 I HA 0.280 4.451 4.170 0.001 0.000 0.294 673 I C -1.597 174.263 176.117 -0.428 0.000 1.538 673 I CA -0.708 60.379 61.300 -0.356 0.000 1.010 673 I CB 1.420 39.334 38.000 -0.143 0.000 1.381 673 I HN -0.253 nan 8.210 nan 0.000 0.462 674 F N 7.751 127.709 119.950 0.013 0.000 2.359 674 F HA 0.422 4.949 4.527 0.001 0.000 0.355 674 F C 0.146 176.031 175.800 0.141 0.000 1.132 674 F CA -0.562 57.478 58.000 0.068 0.000 1.246 674 F CB 0.204 39.246 39.000 0.072 0.000 1.569 674 F HN 0.070 nan 8.300 nan 0.000 0.561 675 I N 3.871 124.557 120.570 0.193 0.000 2.474 675 I HA 0.250 4.420 4.170 0.001 0.000 0.287 675 I C 0.012 176.269 176.117 0.233 0.000 1.048 675 I CA -0.500 60.889 61.300 0.149 0.000 1.383 675 I CB 0.204 38.222 38.000 0.029 0.000 1.412 675 I HN 0.396 nan 8.210 nan 0.000 0.531 676 F N 2.816 122.795 119.950 0.048 0.000 2.715 676 F HA 0.863 5.391 4.527 0.001 0.000 0.318 676 F C 0.112 175.905 175.800 -0.010 0.000 1.141 676 F CA -0.404 57.614 58.000 0.029 0.000 0.950 676 F CB 1.039 40.080 39.000 0.068 0.000 1.374 676 F HN 0.797 nan 8.300 nan 0.000 0.477 677 G N 0.426 109.274 108.800 0.079 0.000 2.725 677 G HA2 -0.059 3.901 3.960 0.001 0.000 0.220 677 G HA3 -0.059 3.901 3.960 0.001 0.000 0.220 677 G C -1.246 173.513 174.900 -0.236 0.000 1.357 677 G CA -0.494 44.556 45.100 -0.082 0.000 0.866 677 G HN 1.187 nan 8.290 nan 0.000 0.548 678 H N 0.791 119.828 119.070 -0.056 0.000 2.732 678 H HA 0.401 4.958 4.556 0.001 0.000 0.351 678 H C 1.411 176.680 175.328 -0.097 0.000 1.090 678 H CA 0.798 56.809 56.048 -0.061 0.000 1.431 678 H CB 0.666 30.381 29.762 -0.079 0.000 1.447 678 H HN 0.909 nan 8.280 nan 0.000 0.582 679 T N -1.458 113.118 114.554 0.037 0.000 2.754 679 T HA 0.089 4.440 4.350 0.001 0.000 0.286 679 T C 1.798 176.494 174.700 -0.008 0.000 0.997 679 T CA -0.750 61.344 62.100 -0.010 0.000 0.982 679 T CB 0.547 69.412 68.868 -0.005 0.000 1.027 679 T HN 0.272 nan 8.240 nan 0.000 0.529 680 V N 1.687 121.584 119.914 -0.028 0.000 2.252 680 V HA -0.190 3.931 4.120 0.001 0.000 0.249 680 V C 2.789 178.862 176.094 -0.035 0.000 1.056 680 V CA 2.402 64.680 62.300 -0.036 0.000 1.022 680 V CB -1.247 30.554 31.823 -0.037 0.000 0.641 680 V HN 0.921 nan 8.190 nan 0.000 0.445 681 E N 0.096 120.283 120.200 -0.023 0.000 2.085 681 E HA -0.264 4.086 4.350 0.001 0.000 0.194 681 E C 2.256 178.846 176.600 -0.015 0.000 0.994 681 E CA 1.496 57.884 56.400 -0.019 0.000 0.801 681 E CB -0.324 29.370 29.700 -0.010 0.000 0.743 681 E HN 0.693 nan 8.360 nan 0.000 0.453 682 Q N 0.013 119.817 119.800 0.008 0.000 2.167 682 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 682 Q C 2.225 178.178 176.000 -0.077 0.000 0.970 682 Q CA 1.011 56.825 55.803 0.019 0.000 0.855 682 Q CB 0.070 28.894 28.738 0.143 0.000 0.911 682 Q HN 0.149 nan 8.270 nan 0.000 0.438 683 V N 1.295 121.153 119.914 -0.093 0.000 2.358 683 V HA -0.257 3.864 4.120 0.001 0.000 0.246 683 V C 1.978 177.972 176.094 -0.166 0.000 1.047 683 V CA 1.759 63.947 62.300 -0.186 0.000 1.035 683 V CB -0.349 31.388 31.823 -0.143 0.000 0.658 683 V HN 0.288 nan 8.190 nan 0.000 0.452 684 K N 0.162 120.500 120.400 -0.104 0.000 2.097 684 K HA -0.079 4.242 4.320 0.001 0.000 0.205 684 K C 2.298 178.857 176.600 -0.069 0.000 1.050 684 K CA 1.363 57.599 56.287 -0.084 0.000 0.938 684 K CB -0.360 32.102 32.500 -0.063 0.000 0.718 684 K HN 0.472 nan 8.250 nan 0.000 0.442 685 A N 1.456 124.242 122.820 -0.057 0.000 1.898 685 A HA -0.129 4.191 4.320 0.001 0.000 0.216 685 A C 2.109 179.675 177.584 -0.030 0.000 1.181 685 A CA 1.209 53.228 52.037 -0.030 0.000 0.620 685 A CB -0.521 18.474 19.000 -0.007 0.000 0.819 685 A HN 0.150 nan 8.150 nan 0.000 0.442 686 I N -0.305 120.219 120.570 -0.077 0.000 2.179 686 I HA -0.251 3.919 4.170 0.001 0.000 0.242 686 I C 2.351 178.447 176.117 -0.035 0.000 1.088 686 I CA 1.126 62.386 61.300 -0.067 0.000 1.357 686 I CB -0.316 37.538 38.000 -0.243 0.000 1.051 686 I HN 0.286 nan 8.210 nan 0.000 0.409 687 L N 0.396 121.559 121.223 -0.100 0.000 2.083 687 L HA -0.191 4.150 4.340 0.001 0.000 0.209 687 L C 2.834 179.702 176.870 -0.003 0.000 1.083 687 L CA 1.222 56.034 54.840 -0.045 0.000 0.752 687 L CB -0.735 41.267 42.059 -0.095 0.000 0.899 687 L HN 0.244 nan 8.230 nan 0.000 0.433 688 A N 0.514 123.324 122.820 -0.017 0.000 1.902 688 A HA -0.233 4.087 4.320 0.001 0.000 0.217 688 A C 2.389 179.982 177.584 0.015 0.000 1.181 688 A CA 1.897 53.931 52.037 -0.006 0.000 0.623 688 A CB -0.435 18.557 19.000 -0.013 0.000 0.818 688 A HN 0.395 nan 8.150 nan 0.000 0.443 689 K N -0.339 120.079 120.400 0.029 0.000 2.432 689 K HA 0.167 4.488 4.320 0.001 0.000 0.196 689 K C 0.440 177.077 176.600 0.062 0.000 1.038 689 K CA 0.994 57.307 56.287 0.044 0.000 0.986 689 K CB -0.440 32.093 32.500 0.055 0.000 0.782 689 K HN 1.052 nan 8.250 nan 0.000 0.485 690 G N 1.562 110.410 108.800 0.080 0.000 3.035 690 G HA2 -0.227 3.734 3.960 0.001 0.000 0.674 690 G HA3 -0.227 3.734 3.960 0.001 0.000 0.674 690 G C -1.369 173.629 174.900 0.164 0.000 1.159 690 G CA -0.341 44.816 45.100 0.095 0.000 1.098 690 G HN 0.335 nan 8.290 nan 0.000 0.473 691 Y N 2.711 123.028 120.300 0.028 0.000 2.327 691 Y HA 0.605 5.156 4.550 0.001 0.000 0.336 691 Y C -0.219 175.722 175.900 0.069 0.000 1.035 691 Y CA -1.364 56.767 58.100 0.051 0.000 1.165 691 Y CB 1.822 40.267 38.460 -0.025 0.000 1.181 691 Y HN 0.406 nan 8.280 nan 0.000 0.494 692 D N 9.322 129.593 120.400 -0.216 0.000 2.462 692 D HA 0.288 4.929 4.640 0.001 0.000 0.249 692 D C -1.975 174.097 176.300 -0.380 0.000 1.117 692 D CA -2.529 51.316 54.000 -0.258 0.000 0.900 692 D CB 1.574 42.349 40.800 -0.041 0.000 1.039 692 D HN 0.351 nan 8.370 nan 0.000 0.516 693 P HA -0.153 nan 4.420 nan 0.000 0.216 693 P C 1.569 178.842 177.300 -0.045 0.000 1.150 693 P CA 0.496 63.311 63.100 -0.476 0.000 0.837 693 P CB 0.543 32.029 31.700 -0.357 0.000 0.786 694 V N 1.009 120.897 119.914 -0.043 0.000 2.407 694 V HA -0.220 3.900 4.120 0.001 0.000 0.248 694 V C 2.825 178.953 176.094 0.057 0.000 1.055 694 V CA 1.973 64.284 62.300 0.018 0.000 1.049 694 V CB -1.254 30.568 31.823 -0.001 0.000 0.662 694 V HN 0.153 nan 8.190 nan 0.000 0.455 695 K N -1.209 119.228 120.400 0.062 0.000 2.097 695 K HA -0.222 4.098 4.320 0.001 0.000 0.206 695 K C 1.929 178.563 176.600 0.058 0.000 1.049 695 K CA 1.885 58.194 56.287 0.037 0.000 0.933 695 K CB -0.213 32.289 32.500 0.003 0.000 0.717 695 K HN 0.534 nan 8.250 nan 0.000 0.442 696 W N 0.993 122.287 121.300 -0.011 0.000 2.418 696 W HA 0.015 4.676 4.660 0.001 0.000 0.292 696 W C 2.383 178.923 176.519 0.034 0.000 1.213 696 W CA 0.990 58.365 57.345 0.050 0.000 1.283 696 W CB -0.262 29.264 29.460 0.111 0.000 1.119 696 W HN 0.105 nan 8.180 nan 0.000 0.542 697 R N 0.951 121.599 120.500 0.246 0.000 2.080 697 R HA -0.190 4.151 4.340 0.001 0.000 0.236 697 R C 1.918 178.261 176.300 0.072 0.000 1.137 697 R CA 1.637 57.804 56.100 0.113 0.000 0.943 697 R CB -0.270 30.065 30.300 0.058 0.000 0.846 697 R HN -0.143 nan 8.270 nan 0.000 0.431 698 K N 0.640 121.073 120.400 0.055 0.000 2.362 698 K HA -0.047 4.274 4.320 0.001 0.000 0.200 698 K C 1.581 178.193 176.600 0.019 0.000 1.046 698 K CA 0.894 57.196 56.287 0.026 0.000 0.952 698 K CB 0.111 32.618 32.500 0.013 0.000 0.753 698 K HN 0.195 nan 8.250 nan 0.000 0.466 699 K N 0.664 121.077 120.400 0.021 0.000 2.393 699 K HA 0.023 4.344 4.320 0.001 0.000 0.193 699 K C -0.055 176.569 176.600 0.040 0.000 1.026 699 K CA 0.153 56.441 56.287 0.001 0.000 1.064 699 K CB 0.420 32.882 32.500 -0.064 0.000 0.833 699 K HN 0.062 nan 8.250 nan 0.000 0.521 700 D N 1.293 121.739 120.400 0.077 0.000 2.414 700 D HA 0.073 4.714 4.640 0.001 0.000 0.232 700 D C 0.742 177.087 176.300 0.075 0.000 1.070 700 D CA -0.068 53.998 54.000 0.109 0.000 0.839 700 D CB 1.508 42.420 40.800 0.187 0.000 1.079 700 D HN -0.142 nan 8.370 nan 0.000 0.521 701 K N 2.320 122.762 120.400 0.069 0.000 2.032 701 K HA -0.127 4.194 4.320 0.001 0.000 0.209 701 K C 1.573 178.203 176.600 0.051 0.000 1.048 701 K CA 1.320 57.636 56.287 0.049 0.000 0.927 701 K CB 0.231 32.757 32.500 0.043 0.000 0.712 701 K HN 0.263 nan 8.250 nan 0.000 0.441 702 V N 1.360 121.330 119.914 0.093 0.000 2.358 702 V HA -0.222 3.898 4.120 0.001 0.000 0.246 702 V C 2.258 178.375 176.094 0.038 0.000 1.047 702 V CA 1.379 63.744 62.300 0.108 0.000 1.035 702 V CB -0.441 31.504 31.823 0.204 0.000 0.658 702 V HN 0.362 nan 8.190 nan 0.000 0.452 703 L N 0.912 122.120 121.223 -0.026 0.000 2.042 703 L HA -0.195 4.146 4.340 0.001 0.000 0.210 703 L C 2.096 178.858 176.870 -0.179 0.000 1.076 703 L CA 2.503 57.127 54.840 -0.361 0.000 0.749 703 L CB -0.981 40.841 42.059 -0.394 0.000 0.893 703 L HN 0.436 nan 8.230 nan 0.000 0.432 704 D N -0.781 119.581 120.400 -0.064 0.000 2.117 704 D HA -0.149 4.492 4.640 0.001 0.000 0.197 704 D C 2.085 178.373 176.300 -0.021 0.000 0.987 704 D CA 1.370 55.352 54.000 -0.030 0.000 0.829 704 D CB 0.018 40.817 40.800 -0.001 0.000 0.961 704 D HN 0.433 nan 8.370 nan 0.000 0.460 705 A N -0.266 122.546 122.820 -0.012 0.000 1.930 705 A HA -0.061 4.260 4.320 0.001 0.000 0.217 705 A C 2.489 180.075 177.584 0.003 0.000 1.175 705 A CA 1.255 53.291 52.037 -0.002 0.000 0.627 705 A CB -0.706 18.296 19.000 0.004 0.000 0.815 705 A HN 0.227 nan 8.150 nan 0.000 0.443 706 V N -0.122 119.786 119.914 -0.010 0.000 2.453 706 V HA -0.158 3.963 4.120 0.001 0.000 0.247 706 V C 2.499 178.595 176.094 0.003 0.000 1.048 706 V CA 1.662 63.964 62.300 0.003 0.000 1.049 706 V CB -0.410 31.402 31.823 -0.018 0.000 0.672 706 V HN 0.583 nan 8.190 nan 0.000 0.457 707 L N -0.612 120.593 121.223 -0.030 0.000 2.056 707 L HA -0.188 4.153 4.340 0.001 0.000 0.207 707 L C 2.529 179.422 176.870 0.039 0.000 1.078 707 L CA 1.658 56.498 54.840 -0.000 0.000 0.749 707 L CB -0.579 41.469 42.059 -0.017 0.000 0.901 707 L HN 0.253 nan 8.230 nan 0.000 0.433 708 K N 0.002 120.418 120.400 0.028 0.000 2.103 708 K HA -0.204 4.117 4.320 0.001 0.000 0.207 708 K C 1.970 178.600 176.600 0.051 0.000 1.048 708 K CA 1.386 57.694 56.287 0.034 0.000 0.930 708 K CB -0.108 32.402 32.500 0.016 0.000 0.716 708 K HN 0.371 nan 8.250 nan 0.000 0.444 709 E N 0.818 121.060 120.200 0.070 0.000 2.058 709 E HA -0.190 4.161 4.350 0.001 0.000 0.194 709 E C 2.028 178.748 176.600 0.200 0.000 0.997 709 E CA 1.068 57.538 56.400 0.116 0.000 0.801 709 E CB -0.108 29.714 29.700 0.203 0.000 0.746 709 E HN 0.246 nan 8.360 nan 0.000 0.450 710 L N 0.712 122.061 121.223 0.211 0.000 2.141 710 L HA -0.180 4.161 4.340 0.001 0.000 0.209 710 L C 2.114 179.149 176.870 0.275 0.000 1.094 710 L CA 1.127 56.130 54.840 0.272 0.000 0.763 710 L CB -0.218 41.916 42.059 0.126 0.000 0.908 710 L HN 0.115 nan 8.230 nan 0.000 0.437 711 E N -0.567 119.724 120.200 0.151 0.000 2.285 711 E HA -0.119 4.232 4.350 0.001 0.000 0.194 711 E C 2.188 178.809 176.600 0.034 0.000 0.997 711 E CA 1.060 57.516 56.400 0.094 0.000 0.845 711 E CB 0.086 29.828 29.700 0.071 0.000 0.782 711 E HN 0.471 nan 8.360 nan 0.000 0.491 712 S N -0.665 115.056 115.700 0.035 0.000 2.489 712 S HA 0.074 4.545 4.470 0.001 0.000 0.228 712 S C 1.749 176.321 174.600 -0.048 0.000 0.995 712 S CA 0.540 58.730 58.200 -0.016 0.000 0.934 712 S CB 0.274 63.461 63.200 -0.022 0.000 0.771 712 S HN 0.352 nan 8.310 nan 0.000 0.522 713 G N 1.747 110.531 108.800 -0.026 0.000 2.176 713 G HA2 -0.318 3.643 3.960 0.001 0.000 0.232 713 G HA3 -0.318 3.643 3.960 0.001 0.000 0.232 713 G C 0.708 175.573 174.900 -0.059 0.000 0.986 713 G CA 0.485 45.548 45.100 -0.061 0.000 0.643 713 G HN 0.583 nan 8.290 nan 0.000 0.522 714 K N -0.465 119.878 120.400 -0.095 0.000 2.103 714 K HA -0.065 4.255 4.320 0.001 0.000 0.207 714 K C 1.696 178.076 176.600 -0.366 0.000 1.048 714 K CA 1.750 57.876 56.287 -0.268 0.000 0.930 714 K CB -0.189 32.057 32.500 -0.423 0.000 0.716 714 K HN 0.513 nan 8.250 nan 0.000 0.444 715 Y N -0.045 120.307 120.300 0.087 0.000 2.457 715 Y HA 0.103 4.653 4.550 0.001 0.000 0.263 715 Y C 0.845 176.791 175.900 0.077 0.000 1.164 715 Y CA 0.158 58.311 58.100 0.088 0.000 1.274 715 Y CB 0.843 39.348 38.460 0.075 0.000 1.097 715 Y HN 0.079 nan 8.280 nan 0.000 0.523 716 S N -1.259 114.508 115.700 0.112 0.000 2.617 716 S HA 0.203 4.674 4.470 0.001 0.000 0.237 716 S C -0.307 174.273 174.600 -0.033 0.000 1.142 716 S CA -0.475 57.720 58.200 -0.009 0.000 1.167 716 S CB -0.238 62.822 63.200 -0.232 0.000 1.068 716 S HN 0.267 nan 8.310 nan 0.000 0.470 717 D N 1.350 121.738 120.400 -0.019 0.000 2.686 717 D HA -0.166 4.474 4.640 0.001 0.000 0.235 717 D C 1.281 177.554 176.300 -0.045 0.000 1.160 717 D CA 1.882 55.866 54.000 -0.027 0.000 0.645 717 D CB -1.480 39.316 40.800 -0.007 0.000 1.039 717 D HN 1.316 nan 8.370 nan 0.000 0.423 718 G N 0.232 108.994 108.800 -0.063 0.000 2.205 718 G HA2 -0.336 3.625 3.960 0.001 0.000 0.261 718 G HA3 -0.336 3.625 3.960 0.001 0.000 0.261 718 G C 0.036 174.874 174.900 -0.104 0.000 0.980 718 G CA 0.324 45.378 45.100 -0.076 0.000 0.632 718 G HN 0.717 nan 8.290 nan 0.000 0.533 719 D N 0.796 121.128 120.400 -0.114 0.000 2.374 719 D HA 0.389 5.029 4.640 0.001 0.000 0.240 719 D C 1.436 177.599 176.300 -0.228 0.000 1.229 719 D CA -0.218 53.691 54.000 -0.152 0.000 0.895 719 D CB 0.372 41.104 40.800 -0.113 0.000 1.046 719 D HN 0.360 nan 8.370 nan 0.000 0.498 720 K N 2.140 122.355 120.400 -0.309 0.000 2.486 720 K HA -0.048 4.273 4.320 0.001 0.000 0.194 720 K C 0.567 176.933 176.600 -0.390 0.000 1.033 720 K CA 0.505 56.583 56.287 -0.348 0.000 1.004 720 K CB 0.293 32.557 32.500 -0.393 0.000 0.798 720 K HN 0.519 nan 8.250 nan 0.000 0.495 721 H N -0.969 118.029 119.070 -0.119 0.000 2.549 721 H HA 0.249 4.806 4.556 0.001 0.000 0.279 721 H C 1.568 176.776 175.328 -0.200 0.000 1.018 721 H CA 0.122 56.094 56.048 -0.128 0.000 1.175 721 H CB 0.413 30.125 29.762 -0.084 0.000 1.485 721 H HN 0.148 nan 8.280 nan 0.000 0.543 722 A N 0.815 123.459 122.820 -0.294 0.000 1.908 722 A HA -0.155 4.166 4.320 0.001 0.000 0.218 722 A C 0.947 178.262 177.584 -0.449 0.000 1.181 722 A CA 1.270 53.024 52.037 -0.471 0.000 0.627 722 A CB -0.621 17.807 19.000 -0.954 0.000 0.818 722 A HN 0.179 nan 8.150 nan 0.000 0.445 723 F N 0.577 120.575 119.950 0.081 0.000 2.750 723 F HA 0.175 4.703 4.527 0.001 0.000 0.297 723 F C 1.173 176.961 175.800 -0.020 0.000 1.138 723 F CA -0.803 57.222 58.000 0.042 0.000 1.346 723 F CB -0.142 38.855 39.000 -0.006 0.000 0.965 723 F HN 0.353 nan 8.300 nan 0.000 0.514 724 D N -0.274 120.125 120.400 -0.002 0.000 2.224 724 D HA -0.186 4.455 4.640 0.001 0.000 0.205 724 D C 1.535 177.670 176.300 -0.276 0.000 0.965 724 D CA 1.091 54.951 54.000 -0.233 0.000 0.852 724 D CB -0.382 40.167 40.800 -0.418 0.000 0.947 724 D HN 0.365 nan 8.370 nan 0.000 0.494 725 Q N -0.367 119.395 119.800 -0.063 0.000 2.096 725 Q HA -0.147 4.193 4.340 0.001 0.000 0.204 725 Q C 2.344 178.391 176.000 0.078 0.000 0.982 725 Q CA 1.651 57.476 55.803 0.036 0.000 0.850 725 Q CB -0.278 28.509 28.738 0.083 0.000 0.901 725 Q HN 0.393 nan 8.270 nan 0.000 0.422 726 M N 0.044 119.695 119.600 0.085 0.000 2.132 726 M HA -0.159 4.322 4.480 0.001 0.000 0.263 726 M C 1.459 177.841 176.300 0.137 0.000 1.065 726 M CA 1.194 56.548 55.300 0.089 0.000 1.122 726 M CB 0.126 32.763 32.600 0.060 0.000 1.365 726 M HN 0.195 nan 8.290 nan 0.000 0.411 727 L N 0.140 121.433 121.223 0.117 0.000 2.056 727 L HA -0.187 4.153 4.340 0.001 0.000 0.207 727 L C 2.550 179.543 176.870 0.206 0.000 1.078 727 L CA 1.806 56.728 54.840 0.136 0.000 0.749 727 L CB -2.100 40.026 42.059 0.112 0.000 0.901 727 L HN 0.364 nan 8.230 nan 0.000 0.433 728 H N -0.538 118.597 119.070 0.109 0.000 2.352 728 H HA -0.115 4.442 4.556 0.001 0.000 0.299 728 H C 2.500 177.887 175.328 0.098 0.000 1.097 728 H CA 1.507 57.608 56.048 0.089 0.000 1.311 728 H CB -0.539 29.270 29.762 0.078 0.000 1.377 728 H HN 0.418 nan 8.280 nan 0.000 0.504 729 S N 0.654 116.509 115.700 0.257 0.000 2.399 729 S HA -0.105 4.365 4.470 0.001 0.000 0.231 729 S C 1.904 176.634 174.600 0.216 0.000 1.022 729 S CA 1.386 59.721 58.200 0.225 0.000 0.983 729 S CB -0.598 62.741 63.200 0.231 0.000 0.803 729 S HN 0.612 nan 8.310 nan 0.000 0.480 730 I N -1.876 118.818 120.570 0.206 0.000 4.018 730 I HA 0.526 4.697 4.170 0.001 0.000 0.337 730 I C 0.925 177.108 176.117 0.109 0.000 1.327 730 I CA -0.392 61.012 61.300 0.173 0.000 1.100 730 I CB -0.234 37.870 38.000 0.173 0.000 1.025 730 I HN 0.274 nan 8.210 nan 0.000 0.396 731 G N 1.169 110.037 108.800 0.114 0.000 2.857 731 G HA2 0.224 4.185 3.960 0.001 0.000 0.217 731 G HA3 0.224 4.185 3.960 0.001 0.000 0.217 731 G C 0.348 175.269 174.900 0.034 0.000 1.357 731 G CA -0.264 44.881 45.100 0.075 0.000 1.033 731 G HN -0.071 nan 8.290 nan 0.000 0.571 732 K N -0.516 119.892 120.400 0.014 0.000 2.057 732 K HA -0.051 4.269 4.320 0.001 0.000 0.206 732 K C 2.687 179.271 176.600 -0.027 0.000 1.050 732 K CA 1.516 57.793 56.287 -0.017 0.000 0.935 732 K CB -0.443 32.045 32.500 -0.021 0.000 0.715 732 K HN 0.421 nan 8.250 nan 0.000 0.439 733 Q N -1.304 118.465 119.800 -0.051 0.000 2.096 733 Q HA -0.032 4.309 4.340 0.001 0.000 0.204 733 Q C 2.065 178.058 176.000 -0.012 0.000 0.982 733 Q CA 1.902 57.651 55.803 -0.089 0.000 0.850 733 Q CB -0.566 28.011 28.738 -0.268 0.000 0.901 733 Q HN 0.450 nan 8.270 nan 0.000 0.422 734 G N -1.954 106.871 108.800 0.043 0.000 2.656 734 G HA2 0.310 4.270 3.960 0.001 0.000 0.211 734 G HA3 0.310 4.270 3.960 0.001 0.000 0.211 734 G C 0.965 175.902 174.900 0.061 0.000 1.137 734 G CA 0.324 45.469 45.100 0.076 0.000 0.802 734 G HN 0.556 nan 8.290 nan 0.000 0.527 735 G N 0.104 108.931 108.800 0.045 0.000 2.175 735 G HA2 -0.248 3.713 3.960 0.001 0.000 0.244 735 G HA3 -0.248 3.713 3.960 0.001 0.000 0.244 735 G C 0.312 175.264 174.900 0.087 0.000 0.982 735 G CA 0.760 45.879 45.100 0.033 0.000 0.641 735 G HN 1.060 nan 8.290 nan 0.000 0.527 736 D N -0.512 119.961 120.400 0.122 0.000 2.737 736 D HA -0.134 4.507 4.640 0.001 0.000 0.238 736 D C -0.150 176.258 176.300 0.180 0.000 1.157 736 D CA 1.203 55.322 54.000 0.199 0.000 0.694 736 D CB -0.371 40.569 40.800 0.234 0.000 1.021 736 D HN 0.398 nan 8.370 nan 0.000 0.420 737 P HA -0.164 nan 4.420 nan 0.000 0.221 737 P C 0.915 177.953 177.300 -0.437 0.000 1.145 737 P CA 1.207 64.152 63.100 -0.257 0.000 0.795 737 P CB -0.142 31.289 31.700 -0.449 0.000 0.775 738 Y N -0.824 119.530 120.300 0.090 0.000 2.493 738 Y HA 0.278 4.829 4.550 0.001 0.000 0.275 738 Y C 1.323 177.204 175.900 -0.033 0.000 1.183 738 Y CA -0.451 57.682 58.100 0.055 0.000 1.258 738 Y CB -0.451 38.101 38.460 0.155 0.000 1.108 738 Y HN -0.284 nan 8.280 nan 0.000 0.521 739 L N -0.750 120.462 121.223 -0.018 0.000 3.678 739 L HA -0.341 4.000 4.340 0.001 0.000 0.425 739 L C 1.021 177.871 176.870 -0.033 0.000 1.240 739 L CA -0.191 54.551 54.840 -0.163 0.000 0.876 739 L CB -2.230 39.590 42.059 -0.398 0.000 1.766 739 L HN 0.158 nan 8.230 nan 0.000 0.917 740 V N -0.666 119.267 119.914 0.033 0.000 2.332 740 V HA -0.321 3.800 4.120 0.001 0.000 0.248 740 V C 2.458 178.592 176.094 0.067 0.000 1.055 740 V CA 2.496 64.793 62.300 -0.006 0.000 1.038 740 V CB -0.262 31.483 31.823 -0.129 0.000 0.651 740 V HN 0.511 nan 8.190 nan 0.000 0.450 741 M N -0.113 119.526 119.600 0.065 0.000 2.132 741 M HA -0.052 4.429 4.480 0.001 0.000 0.263 741 M C 2.343 178.666 176.300 0.038 0.000 1.065 741 M CA 2.155 57.508 55.300 0.088 0.000 1.122 741 M CB -1.463 31.191 32.600 0.091 0.000 1.365 741 M HN 0.398 nan 8.290 nan 0.000 0.411 742 A N -0.463 122.185 122.820 -0.286 0.000 2.119 742 A HA -0.100 4.220 4.320 0.001 0.000 0.217 742 A C 1.615 179.150 177.584 -0.081 0.000 1.153 742 A CA 1.344 52.902 52.037 -0.799 0.000 0.692 742 A CB -0.365 17.936 19.000 -1.165 0.000 0.799 742 A HN 0.376 nan 8.150 nan 0.000 0.458 743 D N -2.144 118.320 120.400 0.107 0.000 2.379 743 D HA 0.111 4.752 4.640 0.001 0.000 0.208 743 D C 1.172 177.654 176.300 0.303 0.000 1.065 743 D CA -0.125 54.024 54.000 0.249 0.000 0.848 743 D CB -0.101 40.851 40.800 0.254 0.000 0.949 743 D HN 0.378 nan 8.370 nan 0.000 0.509 744 F N 2.464 122.513 119.950 0.165 0.000 2.065 744 F HA -0.258 4.270 4.527 0.001 0.000 0.298 744 F C 2.166 178.075 175.800 0.181 0.000 1.112 744 F CA 1.989 60.099 58.000 0.183 0.000 1.212 744 F CB -0.185 38.916 39.000 0.167 0.000 0.975 744 F HN -0.029 nan 8.300 nan 0.000 0.476 745 A N 0.270 123.247 122.820 0.262 0.000 1.902 745 A HA -0.069 4.251 4.320 0.001 0.000 0.217 745 A C 2.394 179.979 177.584 0.002 0.000 1.181 745 A CA 1.893 53.994 52.037 0.106 0.000 0.623 745 A CB -1.617 17.538 19.000 0.259 0.000 0.818 745 A HN 0.554 nan 8.150 nan 0.000 0.443 746 A N -1.511 121.366 122.820 0.095 0.000 1.902 746 A HA -0.104 4.217 4.320 0.001 0.000 0.217 746 A C 2.160 179.713 177.584 -0.052 0.000 1.181 746 A CA 1.755 53.852 52.037 0.100 0.000 0.623 746 A CB -0.760 18.377 19.000 0.228 0.000 0.818 746 A HN 0.719 nan 8.150 nan 0.000 0.443 747 Y N 0.619 120.659 120.300 -0.434 0.000 2.133 747 Y HA -0.132 4.419 4.550 0.001 0.000 0.287 747 Y C 2.405 177.845 175.900 -0.767 0.000 1.134 747 Y CA 1.531 59.001 58.100 -1.051 0.000 1.133 747 Y CB -0.711 37.181 38.460 -0.948 0.000 0.987 747 Y HN 0.047 nan 8.280 nan 0.000 0.502 748 V N 0.793 120.292 119.914 -0.692 0.000 2.282 748 V HA -0.316 3.805 4.120 0.001 0.000 0.249 748 V C 2.416 178.262 176.094 -0.413 0.000 1.057 748 V CA 2.363 64.271 62.300 -0.654 0.000 1.032 748 V CB -0.761 30.752 31.823 -0.515 0.000 0.645 748 V HN 0.391 nan 8.190 nan 0.000 0.447 749 E N 0.743 120.785 120.200 -0.265 0.000 2.051 749 E HA -0.187 4.164 4.350 0.001 0.000 0.192 749 E C 2.115 178.629 176.600 -0.144 0.000 0.991 749 E CA 1.821 58.136 56.400 -0.141 0.000 0.799 749 E CB -0.570 29.099 29.700 -0.051 0.000 0.748 749 E HN 0.510 nan 8.360 nan 0.000 0.449 750 A N 0.514 123.225 122.820 -0.181 0.000 1.933 750 A HA -0.194 4.127 4.320 0.001 0.000 0.218 750 A C 2.141 179.549 177.584 -0.294 0.000 1.175 750 A CA 1.551 53.525 52.037 -0.105 0.000 0.628 750 A CB -0.536 18.465 19.000 0.001 0.000 0.814 750 A HN 0.274 nan 8.150 nan 0.000 0.444 751 Q N -0.164 119.334 119.800 -0.505 0.000 2.226 751 Q HA -0.137 4.204 4.340 0.001 0.000 0.204 751 Q C 1.797 177.611 176.000 -0.310 0.000 0.975 751 Q CA 1.428 56.902 55.803 -0.548 0.000 0.866 751 Q CB -0.209 27.982 28.738 -0.912 0.000 0.915 751 Q HN 0.721 nan 8.270 nan 0.000 0.440 752 K N 0.420 120.694 120.400 -0.210 0.000 2.148 752 K HA -0.125 4.195 4.320 0.001 0.000 0.204 752 K C 1.995 178.563 176.600 -0.052 0.000 1.050 752 K CA 0.886 57.115 56.287 -0.097 0.000 0.942 752 K CB 0.083 32.549 32.500 -0.056 0.000 0.724 752 K HN 0.246 nan 8.250 nan 0.000 0.446 753 Q N 0.166 119.943 119.800 -0.038 0.000 2.378 753 Q HA -0.039 4.301 4.340 0.001 0.000 0.205 753 Q C 1.919 177.980 176.000 0.102 0.000 0.954 753 Q CA 0.493 56.367 55.803 0.118 0.000 0.901 753 Q CB 0.197 29.109 28.738 0.290 0.000 0.981 753 Q HN 0.059 nan 8.270 nan 0.000 0.483 754 V N 1.487 121.235 119.914 -0.277 0.000 2.295 754 V HA -0.280 3.841 4.120 0.001 0.000 0.246 754 V C 1.239 177.363 176.094 0.048 0.000 1.049 754 V CA 2.226 64.335 62.300 -0.319 0.000 1.024 754 V CB -0.456 31.062 31.823 -0.508 0.000 0.648 754 V HN 0.340 nan 8.190 nan 0.000 0.447 755 D N -0.037 120.352 120.400 -0.018 0.000 2.104 755 D HA -0.165 4.476 4.640 0.001 0.000 0.194 755 D C 2.084 178.444 176.300 0.101 0.000 0.994 755 D CA 1.434 55.445 54.000 0.018 0.000 0.830 755 D CB -0.451 40.344 40.800 -0.009 0.000 0.959 755 D HN 0.286 nan 8.370 nan 0.000 0.452 756 V N 0.471 120.456 119.914 0.118 0.000 2.295 756 V HA -0.203 3.917 4.120 0.001 0.000 0.246 756 V C 2.303 178.515 176.094 0.198 0.000 1.049 756 V CA 1.211 63.592 62.300 0.135 0.000 1.024 756 V CB -0.467 31.433 31.823 0.128 0.000 0.648 756 V HN 0.170 nan 8.190 nan 0.000 0.447 757 L N -0.959 120.460 121.223 0.326 0.000 2.093 757 L HA -0.152 4.189 4.340 0.001 0.000 0.208 757 L C 2.251 179.398 176.870 0.461 0.000 1.085 757 L CA 1.902 57.002 54.840 0.432 0.000 0.755 757 L CB -0.818 41.626 42.059 0.640 0.000 0.904 757 L HN 0.437 nan 8.230 nan 0.000 0.435 758 Y N 0.043 120.477 120.300 0.223 0.000 2.352 758 Y HA -0.181 4.370 4.550 0.001 0.000 0.292 758 Y C 2.557 178.363 175.900 -0.157 0.000 1.136 758 Y CA 1.415 59.364 58.100 -0.252 0.000 1.227 758 Y CB -0.052 38.029 38.460 -0.632 0.000 0.991 758 Y HN 0.128 nan 8.280 nan 0.000 0.545 759 R N -0.319 120.209 120.500 0.046 0.000 2.189 759 R HA -0.105 4.236 4.340 0.001 0.000 0.223 759 R C 0.139 176.417 176.300 -0.036 0.000 1.092 759 R CA 1.066 57.161 56.100 -0.007 0.000 0.989 759 R CB -0.160 30.161 30.300 0.035 0.000 0.876 759 R HN 0.161 nan 8.270 nan 0.000 0.457 760 D N 0.499 120.906 120.400 0.013 0.000 2.499 760 D HA 0.021 4.661 4.640 0.001 0.000 0.225 760 D C 0.705 177.015 176.300 0.016 0.000 1.124 760 D CA -0.093 53.919 54.000 0.020 0.000 0.938 760 D CB 0.891 41.727 40.800 0.060 0.000 1.014 760 D HN -0.112 nan 8.370 nan 0.000 0.517 761 Q N 1.875 121.636 119.800 -0.065 0.000 2.135 761 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 761 Q C 1.469 177.490 176.000 0.035 0.000 0.981 761 Q CA 1.037 56.794 55.803 -0.078 0.000 0.856 761 Q CB 0.088 28.728 28.738 -0.163 0.000 0.902 761 Q HN 0.725 nan 8.270 nan 0.000 0.425 762 E N -0.042 120.174 120.200 0.027 0.000 2.038 762 E HA -0.183 4.168 4.350 0.001 0.000 0.195 762 E C 1.803 178.435 176.600 0.053 0.000 1.000 762 E CA 1.232 57.654 56.400 0.037 0.000 0.803 762 E CB -0.021 29.692 29.700 0.021 0.000 0.750 762 E HN 0.286 nan 8.360 nan 0.000 0.448 763 A N 1.555 124.414 122.820 0.065 0.000 1.930 763 A HA -0.170 4.150 4.320 0.001 0.000 0.217 763 A C 2.028 179.667 177.584 0.091 0.000 1.175 763 A CA 1.109 53.181 52.037 0.060 0.000 0.627 763 A CB -1.174 17.863 19.000 0.063 0.000 0.815 763 A HN 0.733 nan 8.150 nan 0.000 0.443 764 W N 1.184 122.464 121.300 -0.033 0.000 2.332 764 W HA -0.179 4.481 4.660 0.001 0.000 0.321 764 W C 1.862 178.372 176.519 -0.015 0.000 1.219 764 W CA 2.434 59.772 57.345 -0.012 0.000 1.277 764 W CB -0.847 28.565 29.460 -0.079 0.000 1.161 764 W HN 0.356 nan 8.180 nan 0.000 0.476 765 T N 1.102 115.775 114.554 0.199 0.000 2.746 765 T HA -0.199 4.152 4.350 0.001 0.000 0.267 765 T C 1.907 176.551 174.700 -0.094 0.000 1.039 765 T CA 1.772 63.927 62.100 0.091 0.000 1.142 765 T CB -0.334 68.612 68.868 0.129 0.000 0.866 765 T HN 0.158 nan 8.240 nan 0.000 0.444 766 R N 0.811 121.271 120.500 -0.066 0.000 2.094 766 R HA -0.095 4.246 4.340 0.001 0.000 0.239 766 R C 2.825 179.028 176.300 -0.161 0.000 1.137 766 R CA 1.545 57.582 56.100 -0.104 0.000 0.943 766 R CB -0.591 29.670 30.300 -0.066 0.000 0.850 766 R HN 0.383 nan 8.270 nan 0.000 0.433 767 A N 0.999 123.709 122.820 -0.183 0.000 1.908 767 A HA -0.152 4.168 4.320 0.001 0.000 0.218 767 A C 2.358 179.786 177.584 -0.260 0.000 1.181 767 A CA 1.823 53.717 52.037 -0.240 0.000 0.627 767 A CB -0.661 18.148 19.000 -0.318 0.000 0.818 767 A HN 0.452 nan 8.150 nan 0.000 0.445 768 A N -0.186 122.458 122.820 -0.293 0.000 1.877 768 A HA -0.075 4.246 4.320 0.001 0.000 0.216 768 A C 2.117 179.590 177.584 -0.185 0.000 1.186 768 A CA 1.531 53.459 52.037 -0.181 0.000 0.620 768 A CB -0.606 18.390 19.000 -0.006 0.000 0.822 768 A HN 0.483 nan 8.150 nan 0.000 0.443 769 I N -0.267 120.047 120.570 -0.426 0.000 2.286 769 I HA -0.256 3.915 4.170 0.001 0.000 0.248 769 I C 2.181 178.192 176.117 -0.178 0.000 1.115 769 I CA 1.067 62.082 61.300 -0.475 0.000 1.392 769 I CB -0.222 37.504 38.000 -0.457 0.000 1.065 769 I HN 0.284 nan 8.210 nan 0.000 0.418 770 L N -0.015 121.117 121.223 -0.152 0.000 2.217 770 L HA -0.155 4.186 4.340 0.001 0.000 0.211 770 L C 2.193 179.029 176.870 -0.057 0.000 1.107 770 L CA 0.978 55.761 54.840 -0.096 0.000 0.783 770 L CB -0.733 41.265 42.059 -0.101 0.000 0.919 770 L HN 0.325 nan 8.230 nan 0.000 0.442 771 N N -0.459 118.204 118.700 -0.061 0.000 2.120 771 N HA -0.146 4.595 4.740 0.001 0.000 0.188 771 N C 1.720 177.251 175.510 0.035 0.000 1.024 771 N CA 1.900 54.939 53.050 -0.018 0.000 0.852 771 N CB -0.040 38.427 38.487 -0.033 0.000 1.003 771 N HN 0.317 nan 8.380 nan 0.000 0.424 772 T N 1.177 115.765 114.554 0.056 0.000 2.708 772 T HA -0.064 4.287 4.350 0.001 0.000 0.266 772 T C 2.055 176.789 174.700 0.058 0.000 1.037 772 T CA 1.274 63.428 62.100 0.089 0.000 1.146 772 T CB -0.262 68.710 68.868 0.173 0.000 0.865 772 T HN 0.307 nan 8.240 nan 0.000 0.435 773 A N 1.580 124.416 122.820 0.027 0.000 1.933 773 A HA -0.057 4.264 4.320 0.001 0.000 0.218 773 A C 2.201 179.798 177.584 0.022 0.000 1.175 773 A CA 1.157 53.202 52.037 0.013 0.000 0.628 773 A CB -0.329 18.660 19.000 -0.018 0.000 0.814 773 A HN 0.429 nan 8.150 nan 0.000 0.444 774 R N -1.814 118.704 120.500 0.030 0.000 2.359 774 R HA 0.163 4.504 4.340 0.001 0.000 0.231 774 R C 0.280 176.635 176.300 0.093 0.000 0.913 774 R CA 0.094 56.217 56.100 0.039 0.000 1.075 774 R CB -0.141 30.174 30.300 0.024 0.000 1.087 774 R HN 0.442 nan 8.270 nan 0.000 0.515 775 C N 0.413 119.797 119.300 0.141 0.000 2.589 775 C HA 0.211 4.672 4.460 0.001 0.000 0.307 775 C C 2.131 177.245 174.990 0.207 0.000 1.328 775 C CA -0.559 58.637 59.018 0.298 0.000 1.742 775 C CB -0.528 27.420 27.740 0.347 0.000 2.037 775 C HN 0.668 nan 8.230 nan 0.000 0.592 776 G N 1.948 110.790 108.800 0.069 0.000 2.450 776 G HA2 -0.297 3.663 3.960 0.001 0.000 0.220 776 G HA3 -0.297 3.663 3.960 0.001 0.000 0.220 776 G C 1.598 176.471 174.900 -0.045 0.000 1.130 776 G CA 1.254 46.378 45.100 0.040 0.000 0.760 776 G HN 0.699 nan 8.290 nan 0.000 0.557 777 M N -1.482 117.979 119.600 -0.231 0.000 2.460 777 M HA 0.252 4.732 4.480 0.001 0.000 0.263 777 M C 1.329 177.380 176.300 -0.414 0.000 1.071 777 M CA 1.197 56.270 55.300 -0.379 0.000 1.096 777 M CB -0.356 31.912 32.600 -0.553 0.000 1.408 777 M HN 0.020 nan 8.290 nan 0.000 0.463 778 F N 1.072 121.053 119.950 0.053 0.000 2.797 778 F HA 0.296 4.824 4.527 0.001 0.000 0.302 778 F C 1.428 177.282 175.800 0.090 0.000 1.130 778 F CA -0.352 57.686 58.000 0.064 0.000 1.387 778 F CB -0.697 38.330 39.000 0.045 0.000 1.107 778 F HN 0.136 nan 8.300 nan 0.000 0.577 779 S N 0.335 116.140 115.700 0.176 0.000 2.552 779 S HA -0.004 4.467 4.470 0.001 0.000 0.289 779 S C 1.565 176.268 174.600 0.171 0.000 1.304 779 S CA 0.182 58.480 58.200 0.163 0.000 1.063 779 S CB 0.559 63.824 63.200 0.108 0.000 0.848 779 S HN 0.394 nan 8.310 nan 0.000 0.499 780 S N 3.193 119.023 115.700 0.218 0.000 2.481 780 S HA -0.066 4.405 4.470 0.001 0.000 0.231 780 S C 1.037 175.717 174.600 0.133 0.000 0.996 780 S CA 0.677 59.047 58.200 0.282 0.000 0.942 780 S CB -0.318 63.135 63.200 0.422 0.000 0.768 780 S HN 0.785 nan 8.310 nan 0.000 0.520 781 D N 1.869 122.322 120.400 0.089 0.000 2.144 781 D HA -0.084 4.556 4.640 0.001 0.000 0.199 781 D C 2.068 178.373 176.300 0.008 0.000 0.984 781 D CA 0.790 54.810 54.000 0.034 0.000 0.834 781 D CB -0.304 40.511 40.800 0.026 0.000 0.955 781 D HN 0.273 nan 8.370 nan 0.000 0.465 782 R N 0.947 121.457 120.500 0.016 0.000 2.073 782 R HA -0.013 4.328 4.340 0.001 0.000 0.229 782 R C 2.001 178.282 176.300 -0.032 0.000 1.120 782 R CA 0.805 56.895 56.100 -0.017 0.000 0.967 782 R CB -0.344 29.935 30.300 -0.035 0.000 0.862 782 R HN 0.035 nan 8.270 nan 0.000 0.436 783 S N 1.393 117.098 115.700 0.007 0.000 2.365 783 S HA -0.132 4.339 4.470 0.001 0.000 0.225 783 S C 1.998 176.527 174.600 -0.118 0.000 1.039 783 S CA 1.317 59.508 58.200 -0.015 0.000 1.033 783 S CB -0.204 63.086 63.200 0.150 0.000 0.887 783 S HN 0.218 nan 8.310 nan 0.000 0.447 784 I N 1.411 121.873 120.570 -0.180 0.000 2.226 784 I HA -0.090 4.081 4.170 0.001 0.000 0.245 784 I C 2.403 178.481 176.117 -0.064 0.000 1.100 784 I CA 1.334 62.548 61.300 -0.142 0.000 1.374 784 I CB -1.153 36.806 38.000 -0.067 0.000 1.057 784 I HN 0.133 nan 8.210 nan 0.000 0.413 785 R N 1.188 121.656 120.500 -0.052 0.000 2.120 785 R HA -0.142 4.199 4.340 0.001 0.000 0.234 785 R C 1.791 178.032 176.300 -0.099 0.000 1.123 785 R CA 1.039 57.113 56.100 -0.045 0.000 0.975 785 R CB -0.708 29.571 30.300 -0.035 0.000 0.866 785 R HN 0.359 nan 8.270 nan 0.000 0.446 786 D N -1.178 119.132 120.400 -0.151 0.000 2.117 786 D HA -0.133 4.507 4.640 0.001 0.000 0.198 786 D C 1.658 177.734 176.300 -0.372 0.000 0.982 786 D CA 1.101 54.962 54.000 -0.233 0.000 0.828 786 D CB -0.249 40.396 40.800 -0.258 0.000 0.967 786 D HN 0.219 nan 8.370 nan 0.000 0.464 787 Y N 1.450 121.437 120.300 -0.523 0.000 2.181 787 Y HA -0.172 4.379 4.550 0.001 0.000 0.288 787 Y C 2.598 178.055 175.900 -0.739 0.000 1.146 787 Y CA 1.292 58.827 58.100 -0.943 0.000 1.164 787 Y CB -0.224 37.108 38.460 -1.880 0.000 0.982 787 Y HN 0.032 nan 8.280 nan 0.000 0.515 788 Q N -0.680 119.000 119.800 -0.200 0.000 2.020 788 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 788 Q C 2.589 178.580 176.000 -0.015 0.000 0.982 788 Q CA 1.510 57.346 55.803 0.055 0.000 0.838 788 Q CB -0.414 28.396 28.738 0.120 0.000 0.899 788 Q HN 0.515 nan 8.270 nan 0.000 0.423 789 A N 1.212 123.987 122.820 -0.074 0.000 1.898 789 A HA -0.170 4.151 4.320 0.001 0.000 0.216 789 A C 1.967 179.500 177.584 -0.085 0.000 1.181 789 A CA 1.379 53.379 52.037 -0.061 0.000 0.620 789 A CB -0.293 18.669 19.000 -0.064 0.000 0.819 789 A HN 0.211 nan 8.150 nan 0.000 0.442 790 R N -1.515 118.877 120.500 -0.180 0.000 2.210 790 R HA 0.344 4.685 4.340 0.001 0.000 0.203 790 R C 1.126 177.252 176.300 -0.289 0.000 1.010 790 R CA 1.109 57.066 56.100 -0.239 0.000 1.008 790 R CB 0.019 30.104 30.300 -0.359 0.000 0.923 790 R HN 0.558 nan 8.270 nan 0.000 0.469 791 I N -2.497 117.941 120.570 -0.220 0.000 3.557 791 I HA 0.012 4.183 4.170 0.001 0.000 0.259 791 I C 1.272 177.542 176.117 0.255 0.000 1.108 791 I CA -0.271 61.014 61.300 -0.025 0.000 1.536 791 I CB -0.250 37.609 38.000 -0.234 0.000 1.727 791 I HN 0.011 nan 8.210 nan 0.000 0.408 792 W N 2.211 123.617 121.300 0.176 0.000 2.338 792 W HA -0.099 4.562 4.660 0.001 0.000 0.304 792 W C 1.846 178.404 176.519 0.065 0.000 1.212 792 W CA 0.787 58.222 57.345 0.150 0.000 1.264 792 W CB -0.846 28.683 29.460 0.115 0.000 1.142 792 W HN 0.263 nan 8.180 nan 0.000 0.512 793 Q N -0.884 119.058 119.800 0.238 0.000 2.198 793 Q HA 0.347 4.688 4.340 0.001 0.000 0.209 793 Q C 0.565 176.592 176.000 0.045 0.000 0.848 793 Q CA 0.004 55.876 55.803 0.116 0.000 0.974 793 Q CB -0.163 28.635 28.738 0.101 0.000 1.115 793 Q HN 0.007 nan 8.270 nan 0.000 0.494 794 A N 1.367 124.212 122.820 0.041 0.000 2.346 794 A HA 0.307 4.628 4.320 0.001 0.000 0.252 794 A C 0.250 177.811 177.584 -0.038 0.000 1.089 794 A CA -0.330 51.711 52.037 0.007 0.000 0.797 794 A CB 0.367 19.385 19.000 0.030 0.000 1.047 794 A HN 0.135 nan 8.150 nan 0.000 0.494 795 K N 0.875 121.256 120.400 -0.032 0.000 2.298 795 K HA 0.225 4.546 4.320 0.001 0.000 0.280 795 K C 0.226 176.775 176.600 -0.084 0.000 1.032 795 K CA -0.159 56.094 56.287 -0.056 0.000 0.958 795 K CB 0.492 32.975 32.500 -0.028 0.000 0.978 795 K HN 0.673 nan 8.250 nan 0.000 0.472 796 R N 0.000 120.416 120.500 -0.140 0.000 2.786 796 R HA 0.000 4.341 4.340 0.001 0.000 0.208 796 R CA 0.000 55.984 56.100 -0.193 0.000 0.921 796 R CB 0.000 30.116 30.300 -0.307 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535