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 1dj2_1_B DATA FIRST_RESID 15 DATA SEQUENCE IGSLSQVSGV LGCQWGDEGK GKLVDILAQH FDIVARCQGG ANAGHTIYNS DATA SEQUENCE EGKKFALHLV PSGILNEDTT CVIGNGVVVH LPGLFKEIDG LESNGVSCKG DATA SEQUENCE RILVSDRAHL LFDFHQEVDG LRESELAKSF IGTTKRGIGP AYSSKVIRNG DATA SEQUENCE IRVGDLRHMD TLPQKLDLLL SDAAARFQGF KYTPEMLREE VEAYKRYADR DATA SEQUENCE LEPYITDTVH FINDSISQKK KVLVEGGQAT MLDIDFGTYP FVTSSSPSAG DATA SEQUENCE GICTGLGIAP SVVGDLIGVV KAYTTRVGSG PFPTENLGTG GDLLRLAGQE DATA SEQUENCE FGTTTGRPRR CGWLDIVALK FSCQINGFAS LNLTKLDVLS DLNEIQLGVA DATA SEQUENCE YKRSDGTPVK SFPGDLRLLE ELHVEYEVLP GWKSDISSVR NYSDLPKAAQ DATA SEQUENCE QYVERIEELV GVPIHYIGIG PGRDALIYK 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 15 I HA 0.000 nan 4.170 nan 0.000 0.288 15 I C 0.000 176.082 176.117 -0.059 0.000 1.063 15 I CA 0.000 61.368 61.300 0.113 0.000 1.566 15 I CB 0.000 38.062 38.000 0.104 0.000 1.214 16 G N 0.394 109.083 108.800 -0.185 0.000 2.920 16 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.208 16 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.208 16 G C 1.103 175.932 174.900 -0.119 0.000 1.159 16 G CA 0.900 45.875 45.100 -0.208 0.000 0.784 16 G HN 0.313 nan 8.290 nan 0.000 0.535 17 S N -0.254 115.397 115.700 -0.083 0.000 2.575 17 S HA 0.331 4.801 4.470 -0.000 0.000 0.215 17 S C 1.090 175.668 174.600 -0.038 0.000 0.966 17 S CA -0.583 57.577 58.200 -0.066 0.000 0.911 17 S CB -0.238 62.915 63.200 -0.079 0.000 0.780 17 S HN 0.232 nan 8.310 nan 0.000 0.514 18 L N 2.392 123.612 121.223 -0.006 0.000 2.473 18 L HA 0.182 4.522 4.340 -0.000 0.000 0.268 18 L C 1.048 177.938 176.870 0.034 0.000 1.215 18 L CA -0.479 54.398 54.840 0.063 0.000 0.823 18 L CB 0.356 42.531 42.059 0.193 0.000 1.099 18 L HN 0.275 nan 8.230 nan 0.000 0.483 19 S N 0.565 116.311 115.700 0.077 0.000 2.589 19 S HA -0.016 4.454 4.470 -0.000 0.000 0.265 19 S C 0.733 175.373 174.600 0.067 0.000 1.342 19 S CA -0.295 57.938 58.200 0.056 0.000 1.005 19 S CB 1.127 64.365 63.200 0.064 0.000 0.909 19 S HN 0.756 nan 8.310 nan 0.000 0.555 20 Q N 0.310 120.128 119.800 0.030 0.000 2.152 20 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 20 Q C -0.188 175.888 176.000 0.125 0.000 0.985 20 Q CA 1.401 57.218 55.803 0.023 0.000 0.863 20 Q CB -0.056 28.685 28.738 0.005 0.000 0.904 20 Q HN 0.654 nan 8.270 nan 0.000 0.422 21 V N 1.803 121.796 119.914 0.130 0.000 2.276 21 V HA 0.270 4.390 4.120 -0.000 0.000 0.268 21 V C -0.552 175.630 176.094 0.147 0.000 1.032 21 V CA -0.496 61.893 62.300 0.148 0.000 0.810 21 V CB 1.177 33.044 31.823 0.073 0.000 1.060 21 V HN 0.113 nan 8.190 nan 0.000 0.446 22 S N 1.996 117.831 115.700 0.224 0.000 2.730 22 S HA 0.911 5.380 4.470 -0.000 0.000 0.284 22 S C 0.455 175.048 174.600 -0.012 0.000 1.153 22 S CA -0.234 58.041 58.200 0.125 0.000 0.995 22 S CB 1.938 65.274 63.200 0.227 0.000 1.058 22 S HN 0.921 nan 8.310 nan 0.000 0.552 23 G N -0.587 108.202 108.800 -0.018 0.000 2.690 23 G HA2 0.588 4.547 3.960 -0.000 0.000 0.293 23 G HA3 0.588 4.547 3.960 -0.000 0.000 0.293 23 G C -1.955 172.924 174.900 -0.035 0.000 1.399 23 G CA -0.482 44.593 45.100 -0.041 0.000 0.890 23 G HN 0.591 nan 8.290 nan 0.000 0.485 24 V N 1.272 121.155 119.914 -0.051 0.000 2.443 24 V HA 0.597 4.717 4.120 -0.000 0.000 0.293 24 V C -0.279 175.805 176.094 -0.016 0.000 1.021 24 V CA -0.449 61.813 62.300 -0.064 0.000 0.848 24 V CB 1.059 32.810 31.823 -0.121 0.000 0.998 24 V HN 0.618 nan 8.190 nan 0.000 0.424 25 L N 3.130 124.362 121.223 0.015 0.000 2.333 25 L HA 0.849 5.189 4.340 -0.000 0.000 0.263 25 L C 0.648 177.495 176.870 -0.039 0.000 1.014 25 L CA -0.754 54.123 54.840 0.062 0.000 0.820 25 L CB 2.213 44.428 42.059 0.260 0.000 1.352 25 L HN 0.705 nan 8.230 nan 0.000 0.421 26 G N -0.643 108.143 108.800 -0.023 0.000 2.356 26 G HA2 0.408 4.368 3.960 -0.000 0.000 0.298 26 G HA3 0.408 4.368 3.960 -0.000 0.000 0.298 26 G C 0.354 175.214 174.900 -0.066 0.000 1.145 26 G CA -0.376 44.674 45.100 -0.084 0.000 0.850 26 G HN 0.819 nan 8.290 nan 0.000 0.487 27 C N 1.202 120.424 119.300 -0.130 0.000 2.551 27 C HA 0.160 4.620 4.460 -0.000 0.000 0.277 27 C C 1.879 176.734 174.990 -0.225 0.000 1.349 27 C CA 0.198 59.147 59.018 -0.116 0.000 1.750 27 C CB -0.688 26.969 27.740 -0.139 0.000 2.058 27 C HN 0.795 nan 8.230 nan 0.000 0.518 28 Q N -0.994 118.671 119.800 -0.226 0.000 3.072 28 Q HA 0.176 4.516 4.340 -0.000 0.000 0.231 28 Q C 0.674 176.398 176.000 -0.460 0.000 1.167 28 Q CA 0.085 55.698 55.803 -0.317 0.000 0.318 28 Q CB 0.146 28.890 28.738 0.009 0.000 5.789 28 Q HN 0.559 nan 8.270 nan 0.000 0.322 29 W N -0.267 120.941 121.300 -0.153 0.000 2.764 29 W HA 0.370 5.030 4.660 -0.000 0.000 0.427 29 W C 0.105 176.553 176.519 -0.117 0.000 0.896 29 W CA 0.503 57.760 57.345 -0.147 0.000 2.307 29 W CB 0.933 30.255 29.460 -0.230 0.000 1.192 29 W HN 0.912 nan 8.180 nan 0.000 0.731 30 G N 0.857 109.671 108.800 0.023 0.000 2.491 30 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.203 30 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.203 30 G C 0.384 175.257 174.900 -0.045 0.000 1.052 30 G CA -0.027 45.071 45.100 -0.003 0.000 0.675 30 G HN 0.217 nan 8.290 nan 0.000 0.504 31 D N 1.247 121.617 120.400 -0.049 0.000 2.615 31 D HA 0.315 4.955 4.640 -0.000 0.000 0.236 31 D C 1.399 177.636 176.300 -0.105 0.000 1.233 31 D CA 0.083 54.037 54.000 -0.077 0.000 0.829 31 D CB 0.578 41.349 40.800 -0.050 0.000 1.024 31 D HN 0.451 nan 8.370 nan 0.000 0.490 32 E N 0.880 121.008 120.200 -0.120 0.000 2.070 32 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 32 E C 1.471 177.999 176.600 -0.120 0.000 1.004 32 E CA 1.329 57.650 56.400 -0.131 0.000 0.805 32 E CB -0.086 29.532 29.700 -0.136 0.000 0.744 32 E HN 0.385 nan 8.360 nan 0.000 0.451 33 G N -0.312 108.403 108.800 -0.142 0.000 2.462 33 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.124 33 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.124 33 G C 0.354 175.167 174.900 -0.146 0.000 1.062 33 G CA 0.120 45.146 45.100 -0.123 0.000 0.764 33 G HN 0.167 nan 8.290 nan 0.000 0.485 34 K N -0.004 120.268 120.400 -0.215 0.000 2.062 34 K HA 0.111 4.431 4.320 -0.000 0.000 0.205 34 K C 2.776 179.280 176.600 -0.160 0.000 1.051 34 K CA 0.960 57.130 56.287 -0.196 0.000 0.941 34 K CB -0.143 32.229 32.500 -0.213 0.000 0.719 34 K HN 0.443 nan 8.250 nan 0.000 0.440 35 G N 3.036 111.703 108.800 -0.222 0.000 2.599 35 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.219 35 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.219 35 G C 1.482 176.365 174.900 -0.029 0.000 1.193 35 G CA 1.545 46.608 45.100 -0.061 0.000 0.778 35 G HN 0.320 nan 8.290 nan 0.000 0.589 36 K N -0.177 120.202 120.400 -0.035 0.000 2.044 36 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 36 K C 2.509 179.098 176.600 -0.018 0.000 1.049 36 K CA 1.655 57.944 56.287 0.004 0.000 0.927 36 K CB -0.333 32.181 32.500 0.024 0.000 0.713 36 K HN 0.281 nan 8.250 nan 0.000 0.443 37 L N 1.176 122.357 121.223 -0.069 0.000 2.017 37 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 37 L C 2.183 178.989 176.870 -0.106 0.000 1.073 37 L CA 1.397 56.166 54.840 -0.119 0.000 0.745 37 L CB -0.439 41.506 42.059 -0.190 0.000 0.894 37 L HN 0.040 nan 8.230 nan 0.000 0.432 38 V N -0.026 119.832 119.914 -0.093 0.000 2.332 38 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 38 V C 2.343 178.412 176.094 -0.041 0.000 1.055 38 V CA 2.056 64.302 62.300 -0.090 0.000 1.038 38 V CB -0.863 30.922 31.823 -0.064 0.000 0.651 38 V HN 0.617 nan 8.190 nan 0.000 0.450 39 D N -0.037 120.355 120.400 -0.012 0.000 2.123 39 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 39 D C 1.923 178.252 176.300 0.048 0.000 0.992 39 D CA 1.597 55.605 54.000 0.013 0.000 0.833 39 D CB -0.157 40.655 40.800 0.021 0.000 0.954 39 D HN 0.474 nan 8.370 nan 0.000 0.455 40 I N -0.119 120.484 120.570 0.055 0.000 2.353 40 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 40 I C 2.150 178.361 176.117 0.156 0.000 1.119 40 I CA 0.581 61.947 61.300 0.109 0.000 1.417 40 I CB -0.124 37.939 38.000 0.104 0.000 1.078 40 I HN 0.140 nan 8.210 nan 0.000 0.421 41 L N 0.475 121.760 121.223 0.103 0.000 2.240 41 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 41 L C 2.746 179.802 176.870 0.310 0.000 1.106 41 L CA 0.693 55.646 54.840 0.187 0.000 0.793 41 L CB -0.626 41.450 42.059 0.028 0.000 0.927 41 L HN 0.184 nan 8.230 nan 0.000 0.446 42 A N -0.087 122.831 122.820 0.163 0.000 2.131 42 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 42 A C 2.152 179.853 177.584 0.195 0.000 1.158 42 A CA 1.265 53.408 52.037 0.177 0.000 0.665 42 A CB -0.401 18.637 19.000 0.064 0.000 0.795 42 A HN 0.522 nan 8.150 nan 0.000 0.460 43 Q N -1.292 118.612 119.800 0.175 0.000 2.226 43 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 43 Q C 0.400 176.282 176.000 -0.196 0.000 0.975 43 Q CA 1.477 57.281 55.803 0.001 0.000 0.866 43 Q CB -0.147 28.592 28.738 0.001 0.000 0.915 43 Q HN 0.931 nan 8.270 nan 0.000 0.440 44 H N -1.835 117.313 119.070 0.130 0.000 2.475 44 H HA 0.285 4.841 4.556 -0.000 0.000 0.276 44 H C -1.229 173.993 175.328 -0.176 0.000 1.126 44 H CA -0.198 55.842 56.048 -0.013 0.000 1.023 44 H CB 0.183 29.905 29.762 -0.066 0.000 1.669 44 H HN -0.030 nan 8.280 nan 0.000 0.573 45 F N 0.039 120.034 119.950 0.074 0.000 2.556 45 F HA 0.228 4.754 4.527 -0.000 0.000 0.314 45 F C 0.654 176.471 175.800 0.029 0.000 1.106 45 F CA -0.914 57.116 58.000 0.051 0.000 0.911 45 F CB 2.047 41.075 39.000 0.048 0.000 1.190 45 F HN 0.031 nan 8.300 nan 0.000 0.448 46 D N 2.435 122.940 120.400 0.176 0.000 2.162 46 D HA 0.078 4.718 4.640 -0.000 0.000 0.203 46 D C 0.417 176.810 176.300 0.155 0.000 0.967 46 D CA 1.611 55.683 54.000 0.121 0.000 0.840 46 D CB 0.617 41.460 40.800 0.071 0.000 0.972 46 D HN 0.233 nan 8.370 nan 0.000 0.482 47 I N 0.553 121.240 120.570 0.194 0.000 2.647 47 I HA 0.251 4.421 4.170 -0.000 0.000 0.295 47 I C -0.858 175.336 176.117 0.127 0.000 1.078 47 I CA -0.883 60.520 61.300 0.171 0.000 1.048 47 I CB 3.166 41.271 38.000 0.175 0.000 1.239 47 I HN -0.409 nan 8.210 nan 0.000 0.421 48 V N 4.363 124.323 119.914 0.076 0.000 2.443 48 V HA 0.767 4.887 4.120 -0.000 0.000 0.293 48 V C -0.188 175.914 176.094 0.012 0.000 1.021 48 V CA -0.414 61.886 62.300 -0.000 0.000 0.848 48 V CB 1.507 33.316 31.823 -0.024 0.000 0.998 48 V HN 0.843 nan 8.190 nan 0.000 0.424 49 A N 5.008 127.829 122.820 0.000 0.000 2.356 49 A HA 0.849 5.169 4.320 -0.000 0.000 0.310 49 A C -0.491 177.088 177.584 -0.008 0.000 1.075 49 A CA -0.800 51.246 52.037 0.015 0.000 0.746 49 A CB 1.421 20.453 19.000 0.054 0.000 1.221 49 A HN 0.793 nan 8.150 nan 0.000 0.443 50 R N 1.225 121.716 120.500 -0.015 0.000 2.428 50 R HA 0.459 4.798 4.340 -0.000 0.000 0.294 50 R C 0.680 176.981 176.300 0.001 0.000 1.000 50 R CA 0.047 56.135 56.100 -0.020 0.000 0.960 50 R CB 0.805 31.073 30.300 -0.053 0.000 1.076 50 R HN 0.952 nan 8.270 nan 0.000 0.475 51 C N 1.171 120.479 119.300 0.012 0.000 2.800 51 C HA 0.386 4.846 4.460 -0.000 0.000 0.379 51 C C 0.332 175.349 174.990 0.045 0.000 1.304 51 C CA -0.397 58.638 59.018 0.029 0.000 1.960 51 C CB 0.210 27.966 27.740 0.028 0.000 2.599 51 C HN 0.566 nan 8.230 nan 0.000 0.578 52 Q N 0.755 120.583 119.800 0.046 0.000 2.873 52 Q HA 0.592 4.932 4.340 -0.000 0.000 0.297 52 Q C 0.516 176.571 176.000 0.090 0.000 1.064 52 Q CA 0.702 56.553 55.803 0.079 0.000 0.816 52 Q CB 0.911 29.674 28.738 0.041 0.000 1.481 52 Q HN 0.760 nan 8.270 nan 0.000 0.488 53 G N -0.731 108.163 108.800 0.156 0.000 2.645 53 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.246 53 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.246 53 G C 0.047 175.009 174.900 0.104 0.000 1.322 53 G CA 0.133 45.321 45.100 0.147 0.000 0.898 53 G HN 0.957 nan 8.290 nan 0.000 0.573 54 G N -3.090 105.739 108.800 0.049 0.000 3.000 54 G HA2 0.733 4.693 3.960 -0.000 0.000 0.170 54 G HA3 0.733 4.693 3.960 -0.000 0.000 0.170 54 G C 1.096 175.989 174.900 -0.010 0.000 1.160 54 G CA 1.245 46.340 45.100 -0.009 0.000 0.945 54 G HN 2.007 nan 8.290 nan 0.000 0.593 55 A N 0.150 122.962 122.820 -0.013 0.000 2.168 55 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 55 A C 1.889 179.531 177.584 0.095 0.000 1.152 55 A CA 1.804 53.860 52.037 0.032 0.000 0.716 55 A CB -0.962 18.026 19.000 -0.020 0.000 0.794 55 A HN 0.754 nan 8.150 nan 0.000 0.465 56 N N 1.060 119.791 118.700 0.052 0.000 2.334 56 N HA -0.005 4.735 4.740 -0.000 0.000 0.187 56 N C 0.849 176.407 175.510 0.080 0.000 1.016 56 N CA 1.092 54.181 53.050 0.065 0.000 0.879 56 N CB -0.589 37.926 38.487 0.047 0.000 0.965 56 N HN 0.467 nan 8.380 nan 0.000 0.438 57 A N -0.456 122.402 122.820 0.063 0.000 2.281 57 A HA 0.605 4.925 4.320 -0.000 0.000 0.271 57 A C 0.900 178.433 177.584 -0.085 0.000 1.196 57 A CA 0.066 52.130 52.037 0.045 0.000 0.807 57 A CB -0.224 18.771 19.000 -0.008 0.000 1.138 57 A HN 0.550 nan 8.150 nan 0.000 0.506 58 G N -1.030 107.738 108.800 -0.054 0.000 4.809 58 G HA2 0.391 4.350 3.960 -0.000 0.000 0.225 58 G HA3 0.391 4.350 3.960 -0.000 0.000 0.225 58 G C -0.912 173.963 174.900 -0.042 0.000 1.929 58 G CA -0.586 44.342 45.100 -0.286 0.000 0.616 58 G HN 0.692 nan 8.290 nan 0.000 0.286 59 H N 1.441 120.374 119.070 -0.229 0.000 3.145 59 H HA 0.313 4.869 4.556 -0.000 0.000 0.263 59 H C 0.646 175.900 175.328 -0.123 0.000 1.057 59 H CA 0.375 56.340 56.048 -0.138 0.000 1.477 59 H CB 0.301 29.996 29.762 -0.111 0.000 1.529 59 H HN 0.089 nan 8.280 nan 0.000 0.508 60 T N 5.354 119.889 114.554 -0.031 0.000 2.817 60 T HA 0.524 4.874 4.350 -0.000 0.000 0.293 60 T C 0.740 175.367 174.700 -0.122 0.000 0.964 60 T CA -0.379 61.662 62.100 -0.098 0.000 1.085 60 T CB 0.502 69.306 68.868 -0.108 0.000 0.921 60 T HN 0.393 nan 8.240 nan 0.000 0.502 61 I N 2.005 122.460 120.570 -0.193 0.000 2.969 61 I HA 0.476 4.645 4.170 -0.000 0.000 0.307 61 I C -1.470 174.487 176.117 -0.267 0.000 1.149 61 I CA -1.265 59.966 61.300 -0.115 0.000 1.008 61 I CB 2.471 40.485 38.000 0.023 0.000 1.232 61 I HN 0.563 nan 8.210 nan 0.000 0.435 62 Y N 2.538 122.937 120.300 0.166 0.000 2.346 62 Y HA 0.279 4.829 4.550 -0.000 0.000 0.332 62 Y C 0.222 176.229 175.900 0.178 0.000 0.985 62 Y CA -1.083 57.118 58.100 0.169 0.000 1.112 62 Y CB 1.335 39.853 38.460 0.098 0.000 1.170 62 Y HN 0.619 nan 8.280 nan 0.000 0.447 63 N N -0.253 118.669 118.700 0.369 0.000 2.267 63 N HA 0.002 4.742 4.740 -0.000 0.000 0.266 63 N C 0.917 176.546 175.510 0.198 0.000 1.295 63 N CA 0.256 53.464 53.050 0.263 0.000 0.914 63 N CB -0.039 38.631 38.487 0.304 0.000 1.083 63 N HN 0.454 nan 8.380 nan 0.000 0.507 64 S N -0.817 114.972 115.700 0.148 0.000 2.419 64 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 64 S C 1.364 176.026 174.600 0.104 0.000 1.016 64 S CA 0.786 59.054 58.200 0.113 0.000 0.974 64 S CB -0.230 63.023 63.200 0.088 0.000 0.786 64 S HN 0.482 nan 8.310 nan 0.000 0.492 65 E N 0.132 120.401 120.200 0.115 0.000 2.060 65 E HA 0.126 4.476 4.350 -0.000 0.000 0.189 65 E C 1.573 178.227 176.600 0.091 0.000 0.974 65 E CA 0.929 57.384 56.400 0.091 0.000 0.808 65 E CB -0.174 29.578 29.700 0.087 0.000 0.768 65 E HN 0.534 nan 8.360 nan 0.000 0.453 66 G N 1.213 110.096 108.800 0.139 0.000 2.407 66 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.210 66 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.210 66 G C 0.043 175.081 174.900 0.229 0.000 1.015 66 G CA -0.269 44.922 45.100 0.152 0.000 0.807 66 G HN 0.070 nan 8.290 nan 0.000 0.539 67 K N 1.312 121.812 120.400 0.167 0.000 2.383 67 K HA 0.309 4.629 4.320 -0.000 0.000 0.286 67 K C 0.369 176.903 176.600 -0.109 0.000 1.051 67 K CA -0.360 55.907 56.287 -0.033 0.000 0.974 67 K CB 0.353 32.728 32.500 -0.208 0.000 0.968 67 K HN 0.142 nan 8.250 nan 0.000 0.475 68 K N 4.895 125.200 120.400 -0.159 0.000 2.338 68 K HA 0.083 4.403 4.320 -0.000 0.000 0.290 68 K C -1.280 175.060 176.600 -0.433 0.000 1.069 68 K CA -0.075 56.016 56.287 -0.328 0.000 0.941 68 K CB 0.222 32.667 32.500 -0.093 0.000 1.023 68 K HN 0.355 nan 8.250 nan 0.000 0.477 69 F N 2.546 122.364 119.950 -0.221 0.000 2.426 69 F HA 0.374 4.901 4.527 -0.000 0.000 0.348 69 F C 0.311 176.035 175.800 -0.127 0.000 1.124 69 F CA -0.810 57.121 58.000 -0.115 0.000 1.008 69 F CB 1.927 40.880 39.000 -0.077 0.000 1.139 69 F HN 0.479 nan 8.300 nan 0.000 0.452 70 A N 5.892 128.781 122.820 0.116 0.000 2.511 70 A HA 0.561 4.881 4.320 -0.000 0.000 0.340 70 A C -0.595 177.033 177.584 0.073 0.000 1.396 70 A CA -0.575 51.489 52.037 0.045 0.000 0.887 70 A CB -0.124 18.906 19.000 0.050 0.000 1.145 70 A HN 0.558 nan 8.150 nan 0.000 0.497 71 L N 1.259 122.491 121.223 0.016 0.000 2.464 71 L HA 0.306 4.645 4.340 -0.000 0.000 0.264 71 L C 0.945 177.704 176.870 -0.186 0.000 1.199 71 L CA 0.810 55.648 54.840 -0.004 0.000 0.818 71 L CB 0.003 42.027 42.059 -0.058 0.000 1.102 71 L HN 0.847 nan 8.230 nan 0.000 0.473 72 H N 0.072 119.084 119.070 -0.098 0.000 1.920 72 H HA 0.273 4.828 4.556 -0.000 0.000 0.186 72 H C 1.406 176.630 175.328 -0.174 0.000 0.924 72 H CA 0.097 56.077 56.048 -0.113 0.000 1.039 72 H CB 0.438 30.161 29.762 -0.064 0.000 1.126 72 H HN 0.367 nan 8.280 nan 0.000 0.379 73 L N 0.269 121.483 121.223 -0.015 0.000 2.362 73 L HA 0.197 4.536 4.340 -0.000 0.000 0.204 73 L C -0.091 176.699 176.870 -0.133 0.000 1.060 73 L CA 0.116 54.898 54.840 -0.097 0.000 0.827 73 L CB 0.767 42.758 42.059 -0.113 0.000 1.027 73 L HN -0.027 nan 8.230 nan 0.000 0.474 74 V N 2.043 121.887 119.914 -0.116 0.000 2.540 74 V HA 0.044 4.163 4.120 -0.000 0.000 0.297 74 V C -2.021 173.995 176.094 -0.130 0.000 1.024 74 V CA -1.122 61.107 62.300 -0.118 0.000 1.105 74 V CB 0.104 31.870 31.823 -0.095 0.000 0.938 74 V HN 0.062 nan 8.190 nan 0.000 0.482 75 P HA 0.051 nan 4.420 nan 0.000 0.265 75 P C 0.803 178.049 177.300 -0.090 0.000 1.187 75 P CA 0.325 63.361 63.100 -0.107 0.000 0.766 75 P CB 0.470 32.128 31.700 -0.069 0.000 0.820 76 S N 2.164 117.824 115.700 -0.066 0.000 2.465 76 S HA -0.099 4.371 4.470 -0.000 0.000 0.241 76 S C 1.911 176.482 174.600 -0.047 0.000 1.000 76 S CA 1.470 59.651 58.200 -0.032 0.000 0.964 76 S CB -0.772 62.456 63.200 0.046 0.000 0.763 76 S HN 0.750 nan 8.310 nan 0.000 0.512 77 G N 0.505 109.277 108.800 -0.046 0.000 3.026 77 G HA2 0.026 3.986 3.960 -0.000 0.000 0.208 77 G HA3 0.026 3.986 3.960 -0.000 0.000 0.208 77 G C 1.020 175.892 174.900 -0.047 0.000 1.169 77 G CA -0.230 44.849 45.100 -0.036 0.000 0.788 77 G HN 0.469 nan 8.290 nan 0.000 0.533 78 I N 0.335 120.859 120.570 -0.076 0.000 2.756 78 I HA 0.016 4.186 4.170 -0.000 0.000 0.262 78 I C 2.219 178.259 176.117 -0.128 0.000 1.225 78 I CA 0.724 61.969 61.300 -0.091 0.000 1.472 78 I CB 0.083 38.019 38.000 -0.106 0.000 1.094 78 I HN 0.136 nan 8.210 nan 0.000 0.454 79 L N -0.116 121.013 121.223 -0.156 0.000 2.291 79 L HA -0.046 4.294 4.340 -0.000 0.000 0.214 79 L C 0.591 177.405 176.870 -0.093 0.000 1.120 79 L CA 0.389 55.117 54.840 -0.188 0.000 0.799 79 L CB -0.652 41.279 42.059 -0.213 0.000 0.925 79 L HN 0.195 nan 8.230 nan 0.000 0.446 80 N N 1.067 119.735 118.700 -0.052 0.000 2.406 80 N HA 0.005 4.745 4.740 -0.000 0.000 0.251 80 N C 0.535 176.035 175.510 -0.018 0.000 1.069 80 N CA -0.229 52.808 53.050 -0.022 0.000 0.947 80 N CB 1.381 39.868 38.487 0.001 0.000 1.111 80 N HN 0.120 nan 8.380 nan 0.000 0.497 81 E N 1.117 121.307 120.200 -0.016 0.000 2.130 81 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 81 E C -0.057 176.544 176.600 0.001 0.000 0.998 81 E CA 1.294 57.688 56.400 -0.009 0.000 0.806 81 E CB 0.095 29.792 29.700 -0.005 0.000 0.738 81 E HN 0.537 nan 8.360 nan 0.000 0.459 82 D N 1.147 121.548 120.400 0.002 0.000 2.690 82 D HA 0.075 4.715 4.640 -0.000 0.000 0.236 82 D C -0.409 175.906 176.300 0.025 0.000 1.218 82 D CA 0.253 54.259 54.000 0.010 0.000 0.829 82 D CB 0.253 41.053 40.800 -0.000 0.000 1.009 82 D HN -0.092 nan 8.370 nan 0.000 0.482 83 T N -0.071 114.500 114.554 0.029 0.000 2.881 83 T HA 0.277 4.627 4.350 -0.000 0.000 0.290 83 T C 0.025 174.755 174.700 0.051 0.000 1.000 83 T CA -0.530 61.601 62.100 0.050 0.000 0.978 83 T CB 2.276 71.172 68.868 0.047 0.000 0.997 83 T HN -0.195 nan 8.240 nan 0.000 0.443 84 T N 2.526 117.129 114.554 0.082 0.000 2.744 84 T HA 0.340 4.690 4.350 -0.000 0.000 0.291 84 T C 0.152 174.898 174.700 0.077 0.000 0.957 84 T CA -0.408 61.739 62.100 0.079 0.000 1.002 84 T CB -0.030 68.917 68.868 0.132 0.000 0.919 84 T HN 0.659 nan 8.240 nan 0.000 0.468 85 C N 4.011 123.330 119.300 0.031 0.000 2.369 85 C HA 0.644 5.104 4.460 -0.000 0.000 0.358 85 C C 0.432 175.425 174.990 0.006 0.000 1.274 85 C CA -0.733 58.294 59.018 0.015 0.000 1.935 85 C CB -0.101 27.628 27.740 -0.019 0.000 2.431 85 C HN 0.656 nan 8.230 nan 0.000 0.545 86 V N 5.234 125.163 119.914 0.026 0.000 2.540 86 V HA 0.438 4.558 4.120 -0.000 0.000 0.302 86 V C -0.153 175.941 176.094 0.000 0.000 1.035 86 V CA -0.297 62.018 62.300 0.025 0.000 0.873 86 V CB 1.665 33.563 31.823 0.124 0.000 0.992 86 V HN 0.699 nan 8.190 nan 0.000 0.428 87 I N 4.417 124.972 120.570 -0.025 0.000 2.307 87 I HA 0.393 4.563 4.170 -0.000 0.000 0.287 87 I C 1.235 177.346 176.117 -0.010 0.000 1.054 87 I CA -0.068 61.209 61.300 -0.039 0.000 1.218 87 I CB 1.142 39.092 38.000 -0.085 0.000 1.398 87 I HN 0.777 nan 8.210 nan 0.000 0.475 88 G N 4.888 113.695 108.800 0.011 0.000 2.712 88 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.258 88 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.258 88 G C 1.004 175.925 174.900 0.035 0.000 1.241 88 G CA -0.403 44.718 45.100 0.034 0.000 0.923 88 G HN 0.787 nan 8.290 nan 0.000 0.548 89 N N -0.324 118.409 118.700 0.055 0.000 2.354 89 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 89 N C 1.954 177.519 175.510 0.092 0.000 1.021 89 N CA 1.068 54.160 53.050 0.070 0.000 0.887 89 N CB -0.213 38.322 38.487 0.079 0.000 0.974 89 N HN 0.517 nan 8.380 nan 0.000 0.437 90 G N 1.164 110.017 108.800 0.088 0.000 2.598 90 G HA2 0.083 4.043 3.960 -0.000 0.000 0.215 90 G HA3 0.083 4.043 3.960 -0.000 0.000 0.215 90 G C 0.701 175.685 174.900 0.140 0.000 1.131 90 G CA -0.020 45.154 45.100 0.123 0.000 0.785 90 G HN 0.151 nan 8.290 nan 0.000 0.539 91 V N 0.552 120.507 119.914 0.068 0.000 3.003 91 V HA 0.338 4.458 4.120 -0.000 0.000 0.305 91 V C 0.463 176.514 176.094 -0.071 0.000 1.078 91 V CA -0.583 61.729 62.300 0.020 0.000 1.083 91 V CB 1.657 33.471 31.823 -0.015 0.000 1.039 91 V HN 0.190 nan 8.190 nan 0.000 0.481 92 V N 1.584 121.409 119.914 -0.148 0.000 2.289 92 V HA 0.513 4.633 4.120 -0.000 0.000 0.272 92 V C -0.273 175.719 176.094 -0.170 0.000 1.026 92 V CA -0.783 61.373 62.300 -0.239 0.000 0.807 92 V CB 0.844 32.381 31.823 -0.477 0.000 1.044 92 V HN 0.684 nan 8.190 nan 0.000 0.443 93 V N 1.577 121.397 119.914 -0.156 0.000 2.555 93 V HA 0.513 4.633 4.120 -0.000 0.000 0.286 93 V C 0.100 176.082 176.094 -0.186 0.000 1.044 93 V CA -0.033 62.162 62.300 -0.175 0.000 1.026 93 V CB 0.584 32.279 31.823 -0.214 0.000 0.981 93 V HN 0.968 nan 8.190 nan 0.000 0.480 94 H N 4.636 123.545 119.070 -0.268 0.000 2.690 94 H HA 0.490 5.046 4.556 -0.000 0.000 0.280 94 H C 0.564 175.668 175.328 -0.374 0.000 1.138 94 H CA -0.524 55.364 56.048 -0.267 0.000 1.241 94 H CB 0.868 30.515 29.762 -0.192 0.000 1.394 94 H HN 0.757 nan 8.280 nan 0.000 0.489 95 L N 5.315 126.106 121.223 -0.720 0.000 1.997 95 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 95 L C -0.577 175.642 176.870 -1.085 0.000 1.074 95 L CA 1.371 55.606 54.840 -1.008 0.000 0.763 95 L CB -1.417 40.041 42.059 -1.003 0.000 0.890 95 L HN 0.553 nan 8.230 nan 0.000 0.434 96 P HA -0.179 nan 4.420 nan 0.000 0.215 96 P C 1.535 178.693 177.300 -0.238 0.000 1.157 96 P CA 1.955 64.721 63.100 -0.557 0.000 0.874 96 P CB -0.204 31.264 31.700 -0.386 0.000 0.790 97 G N -0.489 108.218 108.800 -0.155 0.000 2.408 97 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 97 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 97 G C 1.452 176.257 174.900 -0.158 0.000 1.150 97 G CA 0.438 45.519 45.100 -0.032 0.000 0.776 97 G HN 0.212 nan 8.290 nan 0.000 0.542 98 L N -0.001 121.028 121.223 -0.323 0.000 2.012 98 L HA 0.077 4.417 4.340 -0.000 0.000 0.210 98 L C 2.575 179.255 176.870 -0.318 0.000 1.073 98 L CA 1.676 56.277 54.840 -0.399 0.000 0.748 98 L CB -0.715 40.959 42.059 -0.642 0.000 0.891 98 L HN 0.283 nan 8.230 nan 0.000 0.431 99 F N -0.150 119.690 119.950 -0.184 0.000 2.146 99 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 99 F C 2.604 178.367 175.800 -0.061 0.000 1.096 99 F CA 1.361 59.295 58.000 -0.111 0.000 1.275 99 F CB -0.364 38.592 39.000 -0.073 0.000 1.008 99 F HN 0.065 nan 8.300 nan 0.000 0.480 100 K N 0.761 121.228 120.400 0.112 0.000 2.103 100 K HA -0.259 4.061 4.320 -0.000 0.000 0.207 100 K C 2.016 178.636 176.600 0.033 0.000 1.048 100 K CA 1.725 58.050 56.287 0.064 0.000 0.930 100 K CB -0.180 32.336 32.500 0.027 0.000 0.716 100 K HN 0.294 nan 8.250 nan 0.000 0.444 101 E N 0.337 120.535 120.200 -0.003 0.000 2.107 101 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 101 E C 1.927 178.543 176.600 0.027 0.000 0.982 101 E CA 0.857 57.257 56.400 -0.000 0.000 0.809 101 E CB 0.041 29.720 29.700 -0.034 0.000 0.756 101 E HN 0.347 nan 8.360 nan 0.000 0.459 102 I N 1.268 121.855 120.570 0.028 0.000 2.286 102 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 102 I C 1.946 178.113 176.117 0.083 0.000 1.104 102 I CA 0.764 62.096 61.300 0.052 0.000 1.397 102 I CB -0.274 37.772 38.000 0.078 0.000 1.072 102 I HN 0.079 nan 8.210 nan 0.000 0.417 103 D N 1.319 121.774 120.400 0.092 0.000 2.088 103 D HA -0.167 4.473 4.640 -0.000 0.000 0.191 103 D C 2.149 178.492 176.300 0.071 0.000 0.992 103 D CA 1.909 55.956 54.000 0.078 0.000 0.831 103 D CB -0.642 40.201 40.800 0.072 0.000 0.973 103 D HN 0.374 nan 8.370 nan 0.000 0.447 104 G N 0.018 108.859 108.800 0.069 0.000 2.625 104 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.214 104 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.214 104 G C 1.510 176.475 174.900 0.110 0.000 1.132 104 G CA 0.130 45.275 45.100 0.075 0.000 0.782 104 G HN 0.148 nan 8.290 nan 0.000 0.538 105 L N -0.051 121.236 121.223 0.107 0.000 2.168 105 L HA 0.250 4.590 4.340 -0.000 0.000 0.203 105 L C 2.536 179.473 176.870 0.113 0.000 1.078 105 L CA 1.315 56.232 54.840 0.128 0.000 0.780 105 L CB -0.219 41.882 42.059 0.070 0.000 0.939 105 L HN 0.232 nan 8.230 nan 0.000 0.451 106 E N -1.024 119.227 120.200 0.086 0.000 2.158 106 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 106 E C 2.109 178.755 176.600 0.076 0.000 0.982 106 E CA 1.151 57.595 56.400 0.073 0.000 0.823 106 E CB -0.034 29.705 29.700 0.065 0.000 0.766 106 E HN 0.596 nan 8.360 nan 0.000 0.468 107 S N 0.961 116.708 115.700 0.077 0.000 2.447 107 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 107 S C 1.500 176.149 174.600 0.082 0.000 1.006 107 S CA 0.861 59.101 58.200 0.067 0.000 0.957 107 S CB -0.101 63.132 63.200 0.055 0.000 0.773 107 S HN 0.073 nan 8.310 nan 0.000 0.507 108 N N 0.952 119.726 118.700 0.124 0.000 2.322 108 N HA 0.385 5.125 4.740 -0.000 0.000 0.194 108 N C 1.073 176.704 175.510 0.201 0.000 1.126 108 N CA 0.716 53.866 53.050 0.165 0.000 0.845 108 N CB 0.761 39.398 38.487 0.250 0.000 0.976 108 N HN 0.617 nan 8.380 nan 0.000 0.475 109 G N -1.160 107.722 108.800 0.137 0.000 2.981 109 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.199 109 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.199 109 G C -0.360 174.581 174.900 0.069 0.000 1.586 109 G CA -0.196 44.968 45.100 0.108 0.000 1.162 109 G HN 0.082 nan 8.290 nan 0.000 0.538 110 V N 3.494 123.437 119.914 0.048 0.000 2.506 110 V HA 0.367 4.486 4.120 -0.000 0.000 0.296 110 V C 1.099 177.202 176.094 0.015 0.000 1.004 110 V CA 0.794 63.090 62.300 -0.008 0.000 1.150 110 V CB 0.632 32.398 31.823 -0.095 0.000 0.911 110 V HN 1.200 nan 8.190 nan 0.000 0.476 111 S N 3.995 119.705 115.700 0.016 0.000 2.400 111 S HA 0.135 4.605 4.470 -0.000 0.000 0.295 111 S C 0.607 175.228 174.600 0.035 0.000 1.113 111 S CA -0.763 57.454 58.200 0.028 0.000 1.064 111 S CB 0.420 63.633 63.200 0.023 0.000 0.990 111 S HN 0.760 nan 8.310 nan 0.000 0.502 112 C N 3.046 122.383 119.300 0.061 0.000 2.576 112 C HA 0.160 4.620 4.460 -0.000 0.000 0.267 112 C C 1.145 176.225 174.990 0.150 0.000 1.364 112 C CA -0.449 58.628 59.018 0.098 0.000 1.723 112 C CB -1.698 26.111 27.740 0.116 0.000 1.778 112 C HN 0.775 nan 8.230 nan 0.000 0.572 113 K N 1.378 121.827 120.400 0.083 0.000 2.402 113 K HA 0.332 4.652 4.320 -0.000 0.000 0.285 113 K C 1.226 177.827 176.600 0.001 0.000 1.054 113 K CA 0.886 57.188 56.287 0.025 0.000 1.001 113 K CB 0.004 32.498 32.500 -0.011 0.000 0.946 113 K HN 0.438 nan 8.250 nan 0.000 0.473 114 G N 3.068 111.846 108.800 -0.037 0.000 2.179 114 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 114 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 114 G C 0.652 175.553 174.900 0.001 0.000 1.010 114 G CA 0.418 45.492 45.100 -0.044 0.000 0.736 114 G HN 0.727 nan 8.290 nan 0.000 0.513 115 R N -1.107 119.428 120.500 0.059 0.000 2.419 115 R HA 0.374 4.714 4.340 -0.000 0.000 0.235 115 R C 0.725 177.051 176.300 0.044 0.000 0.899 115 R CA -0.032 56.092 56.100 0.039 0.000 1.048 115 R CB 0.741 31.060 30.300 0.033 0.000 1.182 115 R HN 0.443 nan 8.270 nan 0.000 0.544 116 I N 2.734 123.377 120.570 0.122 0.000 2.337 116 I HA 0.223 4.393 4.170 -0.000 0.000 0.285 116 I C -0.612 175.564 176.117 0.097 0.000 1.041 116 I CA -0.423 60.910 61.300 0.055 0.000 1.199 116 I CB 1.214 39.173 38.000 -0.068 0.000 1.370 116 I HN -0.108 nan 8.210 nan 0.000 0.470 117 L N 7.081 128.293 121.223 -0.018 0.000 2.260 117 L HA 0.398 4.738 4.340 -0.000 0.000 0.289 117 L C -0.276 176.566 176.870 -0.047 0.000 1.057 117 L CA -0.657 54.147 54.840 -0.060 0.000 0.811 117 L CB 1.170 43.086 42.059 -0.238 0.000 1.184 117 L HN 0.269 nan 8.230 nan 0.000 0.429 118 V N 2.670 122.576 119.914 -0.014 0.000 2.350 118 V HA 0.129 4.249 4.120 -0.000 0.000 0.276 118 V C 0.645 176.729 176.094 -0.017 0.000 1.028 118 V CA -0.319 61.956 62.300 -0.041 0.000 0.860 118 V CB 1.526 33.308 31.823 -0.069 0.000 0.990 118 V HN 0.840 nan 8.190 nan 0.000 0.453 119 S N 3.262 118.954 115.700 -0.014 0.000 2.552 119 S HA -0.022 4.448 4.470 -0.000 0.000 0.289 119 S C 1.247 175.848 174.600 0.002 0.000 1.304 119 S CA -0.052 58.153 58.200 0.009 0.000 1.063 119 S CB 0.348 63.563 63.200 0.025 0.000 0.848 119 S HN 0.912 nan 8.310 nan 0.000 0.499 120 D N 4.440 124.849 120.400 0.015 0.000 2.355 120 D HA -0.042 4.598 4.640 -0.000 0.000 0.218 120 D C 1.209 177.506 176.300 -0.004 0.000 1.004 120 D CA 0.433 54.438 54.000 0.008 0.000 0.880 120 D CB -0.038 40.776 40.800 0.023 0.000 0.911 120 D HN 0.603 nan 8.370 nan 0.000 0.528 121 R N 0.221 120.727 120.500 0.009 0.000 2.312 121 R HA 0.342 4.682 4.340 -0.000 0.000 0.205 121 R C 0.830 177.135 176.300 0.008 0.000 0.904 121 R CA -0.010 56.095 56.100 0.008 0.000 1.052 121 R CB 0.565 30.895 30.300 0.050 0.000 1.014 121 R HN 0.068 nan 8.270 nan 0.000 0.503 122 A N 1.232 124.054 122.820 0.003 0.000 2.407 122 A HA 0.170 4.490 4.320 -0.000 0.000 0.248 122 A C -0.705 176.857 177.584 -0.036 0.000 1.082 122 A CA -0.180 51.873 52.037 0.027 0.000 0.785 122 A CB 0.130 19.123 19.000 -0.011 0.000 1.020 122 A HN 0.210 nan 8.150 nan 0.000 0.489 123 H N 0.065 119.081 119.070 -0.090 0.000 2.511 123 H HA 0.450 5.006 4.556 -0.000 0.000 0.346 123 H C -0.286 174.949 175.328 -0.154 0.000 1.128 123 H CA -0.163 55.825 56.048 -0.100 0.000 1.342 123 H CB 0.862 30.544 29.762 -0.132 0.000 1.470 123 H HN 0.493 nan 8.280 nan 0.000 0.546 124 L N 3.592 124.777 121.223 -0.064 0.000 2.260 124 L HA 0.132 4.471 4.340 -0.000 0.000 0.289 124 L C -0.431 176.264 176.870 -0.291 0.000 1.057 124 L CA -0.811 53.862 54.840 -0.278 0.000 0.811 124 L CB 0.562 42.306 42.059 -0.525 0.000 1.184 124 L HN 0.296 nan 8.230 nan 0.000 0.429 125 L N 4.960 126.028 121.223 -0.259 0.000 2.283 125 L HA 0.387 4.727 4.340 -0.000 0.000 0.287 125 L C -0.522 176.360 176.870 0.019 0.000 1.073 125 L CA 0.468 55.239 54.840 -0.114 0.000 0.822 125 L CB 0.030 42.019 42.059 -0.117 0.000 1.186 125 L HN 0.171 nan 8.230 nan 0.000 0.436 126 F N 2.704 122.847 119.950 0.322 0.000 2.380 126 F HA 0.287 4.814 4.527 -0.000 0.000 0.319 126 F C 1.603 177.539 175.800 0.227 0.000 1.113 126 F CA -0.223 57.936 58.000 0.267 0.000 1.056 126 F CB 0.491 39.648 39.000 0.261 0.000 1.289 126 F HN 0.510 nan 8.300 nan 0.000 0.515 127 D N 0.581 121.333 120.400 0.586 0.000 2.178 127 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 127 D C 2.042 178.524 176.300 0.303 0.000 0.980 127 D CA 1.567 55.828 54.000 0.435 0.000 0.842 127 D CB -0.285 40.791 40.800 0.459 0.000 0.948 127 D HN 0.516 nan 8.370 nan 0.000 0.472 128 F N 0.489 120.595 119.950 0.260 0.000 2.259 128 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 128 F C 2.163 177.965 175.800 0.003 0.000 1.088 128 F CA 0.983 59.071 58.000 0.146 0.000 1.358 128 F CB -0.715 38.319 39.000 0.057 0.000 1.040 128 F HN -0.057 nan 8.300 nan 0.000 0.505 129 H N 1.044 119.518 119.070 -0.993 0.000 2.387 129 H HA -0.100 4.455 4.556 -0.000 0.000 0.299 129 H C 1.990 177.130 175.328 -0.314 0.000 1.090 129 H CA 2.036 57.629 56.048 -0.759 0.000 1.332 129 H CB -0.311 29.088 29.762 -0.604 0.000 1.386 129 H HN 0.549 nan 8.280 nan 0.000 0.516 130 Q N 0.089 119.845 119.800 -0.073 0.000 2.123 130 Q HA -0.103 4.237 4.340 -0.000 0.000 0.199 130 Q C 2.201 178.182 176.000 -0.031 0.000 0.966 130 Q CA 0.851 56.619 55.803 -0.059 0.000 0.845 130 Q CB 0.150 28.846 28.738 -0.069 0.000 0.907 130 Q HN 0.522 nan 8.270 nan 0.000 0.439 131 E N 0.344 120.559 120.200 0.025 0.000 2.107 131 E HA -0.135 4.214 4.350 -0.000 0.000 0.191 131 E C 1.939 178.510 176.600 -0.049 0.000 0.982 131 E CA 0.699 57.136 56.400 0.062 0.000 0.809 131 E CB 0.285 30.130 29.700 0.242 0.000 0.756 131 E HN 0.095 nan 8.360 nan 0.000 0.459 132 V N 1.216 121.057 119.914 -0.122 0.000 2.358 132 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 132 V C 2.021 177.928 176.094 -0.313 0.000 1.047 132 V CA 2.137 64.270 62.300 -0.277 0.000 1.035 132 V CB -0.521 31.214 31.823 -0.148 0.000 0.658 132 V HN 0.354 nan 8.190 nan 0.000 0.452 133 D N 0.461 120.771 120.400 -0.151 0.000 2.123 133 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 133 D C 2.145 178.369 176.300 -0.127 0.000 0.992 133 D CA 1.618 55.556 54.000 -0.103 0.000 0.833 133 D CB -0.385 40.380 40.800 -0.059 0.000 0.954 133 D HN 0.373 nan 8.370 nan 0.000 0.455 134 G N -0.152 108.573 108.800 -0.125 0.000 2.421 134 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 134 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 134 G C 1.668 176.474 174.900 -0.157 0.000 1.143 134 G CA 0.279 45.318 45.100 -0.100 0.000 0.784 134 G HN 0.336 nan 8.290 nan 0.000 0.541 135 L N -0.363 120.678 121.223 -0.303 0.000 2.275 135 L HA 0.048 4.388 4.340 -0.000 0.000 0.215 135 L C 2.795 179.435 176.870 -0.382 0.000 1.119 135 L CA 0.741 55.336 54.840 -0.408 0.000 0.790 135 L CB -0.190 41.433 42.059 -0.727 0.000 0.919 135 L HN 0.186 nan 8.230 nan 0.000 0.443 136 R N 0.105 120.396 120.500 -0.347 0.000 2.210 136 R HA -0.102 4.238 4.340 -0.000 0.000 0.203 136 R C 2.116 178.422 176.300 0.009 0.000 1.010 136 R CA 0.522 56.593 56.100 -0.048 0.000 1.008 136 R CB 0.157 30.494 30.300 0.062 0.000 0.923 136 R HN 0.315 nan 8.270 nan 0.000 0.469 137 E N 0.288 120.473 120.200 -0.024 0.000 2.106 137 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 137 E C 1.185 177.787 176.600 0.002 0.000 0.984 137 E CA 1.444 57.855 56.400 0.019 0.000 0.806 137 E CB 0.097 29.810 29.700 0.022 0.000 0.750 137 E HN 0.377 nan 8.360 nan 0.000 0.458 138 S N -0.391 115.297 115.700 -0.021 0.000 2.603 138 S HA -0.004 4.466 4.470 -0.000 0.000 0.229 138 S C 1.108 175.712 174.600 0.007 0.000 0.972 138 S CA 0.369 58.555 58.200 -0.023 0.000 0.935 138 S CB 0.029 63.215 63.200 -0.024 0.000 0.769 138 S HN 0.274 nan 8.310 nan 0.000 0.536 139 E N 0.225 120.446 120.200 0.035 0.000 2.465 139 E HA 0.305 4.655 4.350 -0.000 0.000 0.209 139 E C 0.018 176.654 176.600 0.060 0.000 0.951 139 E CA -0.268 56.169 56.400 0.061 0.000 0.997 139 E CB 0.243 30.008 29.700 0.107 0.000 1.025 139 E HN 0.478 nan 8.360 nan 0.000 0.500 140 L N 1.230 122.492 121.223 0.065 0.000 2.473 140 L HA 0.145 4.485 4.340 -0.000 0.000 0.268 140 L C 0.823 177.749 176.870 0.094 0.000 1.215 140 L CA -0.393 54.502 54.840 0.091 0.000 0.823 140 L CB 0.417 42.562 42.059 0.143 0.000 1.099 140 L HN 0.080 nan 8.230 nan 0.000 0.483 141 A N 2.100 124.990 122.820 0.118 0.000 3.453 141 A HA 0.255 4.574 4.320 -0.000 0.000 0.159 141 A C 1.076 178.785 177.584 0.207 0.000 1.974 141 A CA -0.132 51.977 52.037 0.119 0.000 1.121 141 A CB 0.026 19.084 19.000 0.097 0.000 1.879 141 A HN 0.674 nan 8.150 nan 0.000 0.752 142 K N 1.028 121.548 120.400 0.200 0.000 2.525 142 K HA 0.016 4.336 4.320 -0.000 0.000 0.192 142 K C 0.904 177.690 176.600 0.309 0.000 1.029 142 K CA 1.017 57.466 56.287 0.270 0.000 1.029 142 K CB -0.267 32.330 32.500 0.162 0.000 0.814 142 K HN 0.545 nan 8.250 nan 0.000 0.503 143 S N 1.155 117.026 115.700 0.285 0.000 2.481 143 S HA 0.191 4.661 4.470 -0.000 0.000 0.243 143 S C 0.199 174.952 174.600 0.255 0.000 1.152 143 S CA -1.078 57.307 58.200 0.308 0.000 1.168 143 S CB -1.235 62.143 63.200 0.297 0.000 0.835 143 S HN 0.189 nan 8.310 nan 0.000 0.474 144 F N 1.246 121.288 119.950 0.154 0.000 2.471 144 F HA 0.664 5.191 4.527 -0.000 0.000 0.353 144 F C 0.146 176.034 175.800 0.147 0.000 1.113 144 F CA -2.382 55.677 58.000 0.099 0.000 1.262 144 F CB -0.168 38.869 39.000 0.063 0.000 1.146 144 F HN 0.143 nan 8.300 nan 0.000 0.578 145 I N 1.012 121.658 120.570 0.127 0.000 3.004 145 I HA 0.462 4.632 4.170 -0.000 0.000 0.287 145 I C 1.285 177.447 176.117 0.075 0.000 1.144 145 I CA -0.123 61.213 61.300 0.061 0.000 1.353 145 I CB 0.104 38.119 38.000 0.026 0.000 1.417 145 I HN 0.819 nan 8.210 nan 0.000 0.602 146 G N 1.456 110.282 108.800 0.044 0.000 2.880 146 G HA2 0.018 3.978 3.960 -0.000 0.000 0.209 146 G HA3 0.018 3.978 3.960 -0.000 0.000 0.209 146 G C 0.529 175.474 174.900 0.075 0.000 1.157 146 G CA -0.024 45.108 45.100 0.053 0.000 0.779 146 G HN 0.679 nan 8.290 nan 0.000 0.539 147 T N 2.419 117.012 114.554 0.065 0.000 2.761 147 T HA 0.258 4.608 4.350 -0.000 0.000 0.287 147 T C 0.932 175.664 174.700 0.053 0.000 0.931 147 T CA 0.310 62.439 62.100 0.050 0.000 1.164 147 T CB 0.531 69.418 68.868 0.031 0.000 0.876 147 T HN 0.236 nan 8.240 nan 0.000 0.534 148 T N 2.486 117.068 114.554 0.047 0.000 4.219 148 T HA 0.199 4.549 4.350 -0.000 0.000 0.263 148 T C 0.452 175.160 174.700 0.013 0.000 1.217 148 T CA -0.907 61.217 62.100 0.040 0.000 1.145 148 T CB -0.800 68.093 68.868 0.042 0.000 1.298 148 T HN 0.700 nan 8.240 nan 0.000 0.999 149 K N -0.219 120.184 120.400 0.004 0.000 3.077 149 K HA -0.246 4.074 4.320 -0.000 0.000 0.264 149 K C 1.290 177.864 176.600 -0.043 0.000 1.008 149 K CA 0.320 56.594 56.287 -0.021 0.000 0.740 149 K CB -0.800 31.689 32.500 -0.018 0.000 1.273 149 K HN 0.361 nan 8.250 nan 0.000 0.477 150 R N 0.574 121.049 120.500 -0.041 0.000 2.075 150 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 150 R C 1.453 177.693 176.300 -0.101 0.000 1.114 150 R CA 2.188 58.245 56.100 -0.071 0.000 0.972 150 R CB -0.083 30.194 30.300 -0.039 0.000 0.869 150 R HN 0.629 nan 8.270 nan 0.000 0.437 151 G N -0.254 108.502 108.800 -0.073 0.000 2.132 151 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.228 151 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.228 151 G C 0.574 175.406 174.900 -0.112 0.000 1.000 151 G CA 0.288 45.334 45.100 -0.090 0.000 0.693 151 G HN 0.211 nan 8.290 nan 0.000 0.515 152 I N 1.011 121.549 120.570 -0.052 0.000 2.252 152 I HA -0.044 4.126 4.170 -0.000 0.000 0.245 152 I C 2.908 179.073 176.117 0.080 0.000 1.102 152 I CA 2.072 63.377 61.300 0.009 0.000 1.385 152 I CB -1.585 36.467 38.000 0.087 0.000 1.064 152 I HN 0.278 nan 8.210 nan 0.000 0.414 153 G N 2.145 110.973 108.800 0.048 0.000 2.480 153 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 153 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 153 G C -0.402 174.522 174.900 0.039 0.000 1.200 153 G CA 0.655 45.792 45.100 0.061 0.000 0.782 153 G HN 0.291 nan 8.290 nan 0.000 0.554 154 P HA -0.040 nan 4.420 nan 0.000 0.216 154 P C 2.198 179.390 177.300 -0.181 0.000 1.150 154 P CA 1.908 65.023 63.100 0.025 0.000 0.837 154 P CB -0.112 31.655 31.700 0.111 0.000 0.786 155 A N -1.139 121.376 122.820 -0.509 0.000 1.851 155 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 155 A C 2.018 179.368 177.584 -0.391 0.000 1.195 155 A CA 1.642 53.223 52.037 -0.759 0.000 0.622 155 A CB -2.041 16.546 19.000 -0.688 0.000 0.831 155 A HN 0.141 nan 8.150 nan 0.000 0.444 156 Y N 0.096 120.276 120.300 -0.200 0.000 2.403 156 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 156 Y C 3.078 178.914 175.900 -0.108 0.000 1.143 156 Y CA 1.125 59.129 58.100 -0.160 0.000 1.257 156 Y CB -0.393 37.995 38.460 -0.120 0.000 0.984 156 Y HN 0.366 nan 8.280 nan 0.000 0.550 157 S N -0.820 114.923 115.700 0.071 0.000 2.356 157 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 157 S C 2.351 176.993 174.600 0.070 0.000 1.032 157 S CA 1.719 59.962 58.200 0.072 0.000 1.005 157 S CB -0.448 62.804 63.200 0.087 0.000 0.867 157 S HN 0.444 nan 8.310 nan 0.000 0.449 158 S N 1.229 116.987 115.700 0.097 0.000 2.382 158 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 158 S C 1.838 176.488 174.600 0.084 0.000 1.027 158 S CA 1.405 59.695 58.200 0.150 0.000 0.991 158 S CB -0.388 62.997 63.200 0.308 0.000 0.823 158 S HN 0.598 nan 8.310 nan 0.000 0.469 159 K N 1.183 121.556 120.400 -0.045 0.000 1.991 159 K HA -0.117 4.203 4.320 -0.000 0.000 0.212 159 K C 1.976 178.543 176.600 -0.054 0.000 1.049 159 K CA 1.593 57.745 56.287 -0.226 0.000 0.932 159 K CB -0.418 31.744 32.500 -0.564 0.000 0.717 159 K HN 0.147 nan 8.250 nan 0.000 0.441 160 V N 1.772 121.675 119.914 -0.020 0.000 2.332 160 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 160 V C 2.299 178.409 176.094 0.027 0.000 1.055 160 V CA 1.435 63.740 62.300 0.010 0.000 1.038 160 V CB -0.365 31.467 31.823 0.016 0.000 0.651 160 V HN 0.394 nan 8.190 nan 0.000 0.450 161 I N -0.501 120.092 120.570 0.039 0.000 2.614 161 I HA -0.103 4.067 4.170 -0.000 0.000 0.258 161 I C 1.583 177.732 176.117 0.052 0.000 1.189 161 I CA 1.038 62.364 61.300 0.044 0.000 1.462 161 I CB -1.256 36.776 38.000 0.052 0.000 1.092 161 I HN 0.457 nan 8.210 nan 0.000 0.442 162 R N 0.990 121.533 120.500 0.072 0.000 3.774 162 R HA -0.175 4.165 4.340 -0.000 0.000 0.320 162 R C 0.618 176.976 176.300 0.097 0.000 1.175 162 R CA 0.841 56.997 56.100 0.093 0.000 0.849 162 R CB -2.134 28.206 30.300 0.067 0.000 1.365 162 R HN 0.570 nan 8.270 nan 0.000 0.502 163 N N -0.547 118.216 118.700 0.105 0.000 2.159 163 N HA 0.056 4.796 4.740 -0.000 0.000 0.217 163 N C 0.603 176.190 175.510 0.129 0.000 1.223 163 N CA 0.565 53.667 53.050 0.088 0.000 0.896 163 N CB 0.534 39.051 38.487 0.050 0.000 1.064 163 N HN 0.240 nan 8.380 nan 0.000 0.518 164 G N 0.833 109.761 108.800 0.213 0.000 2.606 164 G HA2 0.499 4.459 3.960 -0.000 0.000 0.252 164 G HA3 0.499 4.459 3.960 -0.000 0.000 0.252 164 G C -0.288 174.763 174.900 0.251 0.000 1.206 164 G CA -0.517 44.774 45.100 0.318 0.000 0.861 164 G HN 0.220 nan 8.290 nan 0.000 0.561 165 I N 0.565 121.311 120.570 0.293 0.000 2.392 165 I HA 0.377 4.547 4.170 -0.000 0.000 0.295 165 I C 0.641 176.775 176.117 0.030 0.000 0.985 165 I CA -0.602 60.808 61.300 0.183 0.000 1.221 165 I CB 1.562 39.742 38.000 0.300 0.000 1.366 165 I HN 0.378 nan 8.210 nan 0.000 0.467 166 R N 3.460 123.893 120.500 -0.112 0.000 2.700 166 R HA 0.417 4.757 4.340 -0.000 0.000 0.253 166 R C 0.881 177.136 176.300 -0.075 0.000 1.091 166 R CA -0.871 55.091 56.100 -0.231 0.000 1.104 166 R CB 1.163 31.279 30.300 -0.308 0.000 1.202 166 R HN 0.369 nan 8.270 nan 0.000 0.532 167 V N 0.871 120.738 119.914 -0.079 0.000 2.343 167 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 167 V C 2.190 178.288 176.094 0.006 0.000 1.051 167 V CA 2.457 64.741 62.300 -0.027 0.000 1.036 167 V CB -0.815 30.987 31.823 -0.034 0.000 0.654 167 V HN 1.098 nan 8.190 nan 0.000 0.451 168 G N -0.534 108.266 108.800 -0.000 0.000 2.509 168 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.218 168 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.218 168 G C 1.047 175.966 174.900 0.031 0.000 1.124 168 G CA 0.715 45.824 45.100 0.014 0.000 0.776 168 G HN 0.513 nan 8.290 nan 0.000 0.547 169 D N 0.257 120.691 120.400 0.057 0.000 2.348 169 D HA 0.010 4.650 4.640 -0.000 0.000 0.216 169 D C 2.350 178.707 176.300 0.096 0.000 0.970 169 D CA 0.134 54.202 54.000 0.114 0.000 0.889 169 D CB 0.060 40.918 40.800 0.098 0.000 0.912 169 D HN 0.313 nan 8.370 nan 0.000 0.524 170 L N -0.063 121.199 121.223 0.066 0.000 2.376 170 L HA 0.013 4.353 4.340 -0.000 0.000 0.219 170 L C 1.975 178.850 176.870 0.009 0.000 1.133 170 L CA 0.580 55.472 54.840 0.086 0.000 0.816 170 L CB -0.017 42.118 42.059 0.126 0.000 0.933 170 L HN -0.112 nan 8.230 nan 0.000 0.449 171 R N -1.084 119.341 120.500 -0.125 0.000 2.313 171 R HA 0.033 4.373 4.340 -0.000 0.000 0.199 171 R C -0.083 175.937 176.300 -0.466 0.000 0.958 171 R CA 0.353 56.277 56.100 -0.293 0.000 1.047 171 R CB 0.063 30.134 30.300 -0.382 0.000 0.955 171 R HN 0.343 nan 8.270 nan 0.000 0.481 172 H N 0.014 119.115 119.070 0.052 0.000 2.423 172 H HA 0.163 4.719 4.556 -0.000 0.000 0.237 172 H C 0.650 176.007 175.328 0.048 0.000 1.391 172 H CA -0.437 55.636 56.048 0.043 0.000 1.453 172 H CB 0.982 30.765 29.762 0.034 0.000 1.484 172 H HN -0.068 nan 8.280 nan 0.000 0.505 173 M N 0.748 120.416 119.600 0.113 0.000 2.539 173 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 173 M C 1.442 177.795 176.300 0.088 0.000 1.069 173 M CA 0.863 56.221 55.300 0.097 0.000 1.081 173 M CB -0.431 32.214 32.600 0.075 0.000 1.412 173 M HN 0.515 nan 8.290 nan 0.000 0.482 174 D N -1.057 119.401 120.400 0.095 0.000 2.183 174 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 174 D C 1.576 177.910 176.300 0.056 0.000 0.969 174 D CA 1.884 55.925 54.000 0.068 0.000 0.842 174 D CB -0.607 40.230 40.800 0.063 0.000 0.957 174 D HN 0.412 nan 8.370 nan 0.000 0.484 175 T N -1.780 112.817 114.554 0.071 0.000 3.022 175 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 175 T C 1.958 176.686 174.700 0.046 0.000 1.060 175 T CA -0.262 61.866 62.100 0.046 0.000 1.013 175 T CB -0.172 68.716 68.868 0.033 0.000 0.982 175 T HN -0.022 nan 8.240 nan 0.000 0.508 176 L N 3.139 124.403 121.223 0.070 0.000 2.013 176 L HA 0.061 4.400 4.340 -0.000 0.000 0.212 176 L C -0.614 176.266 176.870 0.017 0.000 1.073 176 L CA 2.006 56.881 54.840 0.059 0.000 0.753 176 L CB -1.054 41.062 42.059 0.095 0.000 0.890 176 L HN 0.154 nan 8.230 nan 0.000 0.432 177 P HA -0.217 nan 4.420 nan 0.000 0.220 177 P C 1.312 178.603 177.300 -0.015 0.000 1.148 177 P CA 1.262 64.365 63.100 0.005 0.000 0.803 177 P CB 0.062 31.775 31.700 0.022 0.000 0.782 178 Q N 1.312 121.107 119.800 -0.008 0.000 2.079 178 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 178 Q C 2.189 178.166 176.000 -0.038 0.000 0.974 178 Q CA 1.897 57.691 55.803 -0.015 0.000 0.840 178 Q CB -0.624 28.112 28.738 -0.004 0.000 0.898 178 Q HN 0.121 nan 8.270 nan 0.000 0.430 179 K N -0.313 120.063 120.400 -0.041 0.000 2.057 179 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 179 K C 1.951 178.462 176.600 -0.147 0.000 1.050 179 K CA 1.034 57.282 56.287 -0.065 0.000 0.935 179 K CB -0.182 32.297 32.500 -0.035 0.000 0.715 179 K HN 0.177 nan 8.250 nan 0.000 0.439 180 L N 1.735 122.849 121.223 -0.182 0.000 1.989 180 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 180 L C 2.145 178.850 176.870 -0.276 0.000 1.071 180 L CA 1.986 56.645 54.840 -0.303 0.000 0.749 180 L CB -1.119 40.806 42.059 -0.223 0.000 0.890 180 L HN 0.288 nan 8.230 nan 0.000 0.431 181 D N -0.639 119.680 120.400 -0.136 0.000 2.133 181 D HA -0.248 4.391 4.640 -0.000 0.000 0.192 181 D C 2.199 178.414 176.300 -0.143 0.000 1.001 181 D CA 1.340 55.299 54.000 -0.068 0.000 0.844 181 D CB 0.134 40.933 40.800 -0.002 0.000 0.944 181 D HN 0.096 nan 8.370 nan 0.000 0.447 182 L N 0.159 121.298 121.223 -0.139 0.000 1.989 182 L HA -0.129 4.210 4.340 -0.000 0.000 0.211 182 L C 2.509 179.243 176.870 -0.228 0.000 1.071 182 L CA 1.298 56.056 54.840 -0.137 0.000 0.749 182 L CB -0.814 41.193 42.059 -0.087 0.000 0.890 182 L HN 0.252 nan 8.230 nan 0.000 0.431 183 L N -1.287 119.745 121.223 -0.318 0.000 2.042 183 L HA -0.263 4.076 4.340 -0.000 0.000 0.210 183 L C 2.419 178.823 176.870 -0.777 0.000 1.076 183 L CA 1.283 55.844 54.840 -0.465 0.000 0.749 183 L CB -0.474 41.247 42.059 -0.564 0.000 0.893 183 L HN 0.290 nan 8.230 nan 0.000 0.432 184 L N -1.576 119.136 121.223 -0.851 0.000 2.156 184 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 184 L C 2.747 179.164 176.870 -0.754 0.000 1.095 184 L CA 0.773 55.051 54.840 -0.935 0.000 0.770 184 L CB -0.420 41.068 42.059 -0.952 0.000 0.914 184 L HN 0.193 nan 8.230 nan 0.000 0.439 185 S N -0.438 114.985 115.700 -0.463 0.000 2.368 185 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 185 S C 1.831 176.336 174.600 -0.159 0.000 1.029 185 S CA 1.385 59.460 58.200 -0.207 0.000 0.988 185 S CB -0.192 62.963 63.200 -0.075 0.000 0.838 185 S HN 0.458 nan 8.310 nan 0.000 0.462 186 D N 0.784 121.072 120.400 -0.186 0.000 2.097 186 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 186 D C 2.019 178.240 176.300 -0.132 0.000 0.989 186 D CA 1.341 55.266 54.000 -0.125 0.000 0.827 186 D CB -0.234 40.509 40.800 -0.096 0.000 0.966 186 D HN 0.462 nan 8.370 nan 0.000 0.456 187 A N 0.837 123.521 122.820 -0.225 0.000 1.930 187 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 187 A C 2.360 179.865 177.584 -0.131 0.000 1.175 187 A CA 2.047 53.923 52.037 -0.267 0.000 0.627 187 A CB -0.579 18.034 19.000 -0.645 0.000 0.815 187 A HN 0.343 nan 8.150 nan 0.000 0.443 188 A N -0.299 122.533 122.820 0.020 0.000 1.898 188 A HA 0.304 4.624 4.320 -0.000 0.000 0.214 188 A C 2.451 180.125 177.584 0.150 0.000 1.183 188 A CA 1.619 53.833 52.037 0.294 0.000 0.622 188 A CB -0.875 18.309 19.000 0.307 0.000 0.824 188 A HN 0.969 nan 8.150 nan 0.000 0.444 189 A N -0.222 122.625 122.820 0.044 0.000 1.972 189 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 189 A C 2.157 179.712 177.584 -0.048 0.000 1.169 189 A CA 2.031 54.073 52.037 0.008 0.000 0.635 189 A CB -0.367 18.622 19.000 -0.018 0.000 0.810 189 A HN 0.465 nan 8.150 nan 0.000 0.446 190 R N -0.579 119.852 120.500 -0.115 0.000 2.052 190 R HA 0.107 4.447 4.340 -0.000 0.000 0.224 190 R C -0.428 175.644 176.300 -0.380 0.000 1.165 190 R CA 0.986 56.891 56.100 -0.325 0.000 0.939 190 R CB -0.709 29.297 30.300 -0.490 0.000 0.834 190 R HN 0.330 nan 8.270 nan 0.000 0.435 191 F N 1.515 121.485 119.950 0.035 0.000 2.404 191 F HA 0.169 4.696 4.527 -0.000 0.000 0.358 191 F C 1.168 177.046 175.800 0.131 0.000 1.120 191 F CA -0.705 57.339 58.000 0.074 0.000 1.144 191 F CB 1.653 40.695 39.000 0.070 0.000 1.133 191 F HN 0.226 nan 8.300 nan 0.000 0.495 192 Q N 1.719 121.671 119.800 0.252 0.000 2.291 192 Q HA -0.012 4.328 4.340 -0.000 0.000 0.205 192 Q C 1.929 178.054 176.000 0.208 0.000 0.970 192 Q CA 1.440 57.357 55.803 0.191 0.000 0.876 192 Q CB -0.741 28.071 28.738 0.123 0.000 0.935 192 Q HN 0.767 nan 8.270 nan 0.000 0.455 193 G N -0.241 108.706 108.800 0.244 0.000 2.598 193 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.215 193 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.215 193 G C -0.264 174.776 174.900 0.233 0.000 1.131 193 G CA -0.488 44.727 45.100 0.192 0.000 0.785 193 G HN 0.423 nan 8.290 nan 0.000 0.539 194 F N 1.968 122.003 119.950 0.142 0.000 2.487 194 F HA 0.358 4.885 4.527 -0.000 0.000 0.364 194 F C 0.134 176.016 175.800 0.138 0.000 1.126 194 F CA -1.044 57.036 58.000 0.134 0.000 1.135 194 F CB 0.464 39.563 39.000 0.165 0.000 1.127 194 F HN -0.172 nan 8.300 nan 0.000 0.559 195 K N 6.730 126.957 120.400 -0.287 0.000 2.237 195 K HA 0.006 4.326 4.320 -0.000 0.000 0.283 195 K C -1.214 175.123 176.600 -0.439 0.000 1.080 195 K CA 0.157 56.288 56.287 -0.260 0.000 0.965 195 K CB -0.288 32.121 32.500 -0.152 0.000 1.098 195 K HN 0.448 nan 8.250 nan 0.000 0.434 196 Y N 2.560 122.604 120.300 -0.427 0.000 2.328 196 Y HA 0.371 4.921 4.550 -0.000 0.000 0.337 196 Y C -0.416 175.387 175.900 -0.161 0.000 0.966 196 Y CA -1.108 56.784 58.100 -0.346 0.000 1.136 196 Y CB 0.817 39.171 38.460 -0.175 0.000 1.170 196 Y HN 0.622 nan 8.280 nan 0.000 0.470 197 T N 3.655 117.955 114.554 -0.422 0.000 2.906 197 T HA 0.419 4.769 4.350 -0.000 0.000 0.295 197 T C -2.502 171.908 174.700 -0.483 0.000 1.061 197 T CA -2.345 59.501 62.100 -0.424 0.000 1.000 197 T CB 2.227 70.976 68.868 -0.199 0.000 1.103 197 T HN 0.266 nan 8.240 nan 0.000 0.486 198 P HA 0.003 nan 4.420 nan 0.000 0.225 198 P C 1.190 178.412 177.300 -0.129 0.000 1.148 198 P CA 0.640 63.590 63.100 -0.250 0.000 0.779 198 P CB 0.191 31.784 31.700 -0.178 0.000 0.780 199 E N -1.302 118.831 120.200 -0.112 0.000 2.170 199 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 199 E C 1.636 178.224 176.600 -0.019 0.000 0.981 199 E CA 0.993 57.361 56.400 -0.054 0.000 0.830 199 E CB -0.564 29.106 29.700 -0.049 0.000 0.775 199 E HN 0.277 nan 8.360 nan 0.000 0.470 200 M N 0.552 120.139 119.600 -0.021 0.000 2.394 200 M HA 0.037 4.516 4.480 -0.000 0.000 0.264 200 M C 2.096 178.455 176.300 0.099 0.000 1.073 200 M CA 0.546 55.874 55.300 0.047 0.000 1.111 200 M CB -0.254 32.379 32.600 0.055 0.000 1.401 200 M HN 0.044 nan 8.290 nan 0.000 0.448 201 L N -0.513 120.760 121.223 0.082 0.000 2.044 201 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 201 L C 2.276 179.189 176.870 0.072 0.000 1.075 201 L CA 1.355 56.259 54.840 0.107 0.000 0.747 201 L CB -0.161 41.953 42.059 0.093 0.000 0.903 201 L HN 0.186 nan 8.230 nan 0.000 0.435 202 R N -0.427 120.099 120.500 0.044 0.000 2.189 202 R HA -0.185 4.154 4.340 -0.000 0.000 0.223 202 R C 2.005 178.341 176.300 0.060 0.000 1.092 202 R CA 1.174 57.298 56.100 0.041 0.000 0.989 202 R CB -0.237 30.074 30.300 0.017 0.000 0.876 202 R HN 0.513 nan 8.270 nan 0.000 0.457 203 E N 1.685 121.928 120.200 0.071 0.000 2.017 203 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 203 E C 1.485 178.166 176.600 0.135 0.000 0.997 203 E CA 1.252 57.704 56.400 0.086 0.000 0.804 203 E CB 0.128 29.883 29.700 0.091 0.000 0.757 203 E HN 0.328 nan 8.360 nan 0.000 0.448 204 E N -0.132 120.187 120.200 0.198 0.000 2.338 204 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 204 E C 2.086 178.890 176.600 0.340 0.000 1.007 204 E CA 0.527 57.131 56.400 0.340 0.000 0.849 204 E CB 0.325 30.268 29.700 0.404 0.000 0.774 204 E HN 0.177 nan 8.360 nan 0.000 0.506 205 V N 1.642 121.674 119.914 0.196 0.000 2.307 205 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 205 V C 2.163 178.345 176.094 0.147 0.000 1.045 205 V CA 1.578 63.976 62.300 0.163 0.000 1.024 205 V CB -0.262 31.617 31.823 0.093 0.000 0.651 205 V HN 0.180 nan 8.190 nan 0.000 0.449 206 E N 0.378 120.634 120.200 0.094 0.000 2.107 206 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 206 E C 2.337 178.934 176.600 -0.005 0.000 0.982 206 E CA 1.399 57.822 56.400 0.039 0.000 0.809 206 E CB -0.549 29.160 29.700 0.015 0.000 0.756 206 E HN 0.549 nan 8.360 nan 0.000 0.459 207 A N 0.540 123.362 122.820 0.003 0.000 1.858 207 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 207 A C 1.999 179.385 177.584 -0.330 0.000 1.190 207 A CA 1.246 53.173 52.037 -0.182 0.000 0.617 207 A CB -0.960 18.007 19.000 -0.055 0.000 0.827 207 A HN 0.242 nan 8.150 nan 0.000 0.443 208 Y N -0.041 120.303 120.300 0.073 0.000 2.571 208 Y HA -0.085 4.464 4.550 -0.000 0.000 0.294 208 Y C 2.325 178.326 175.900 0.167 0.000 1.141 208 Y CA 1.581 59.854 58.100 0.288 0.000 1.308 208 Y CB 0.003 38.697 38.460 0.390 0.000 1.002 208 Y HN 0.382 nan 8.280 nan 0.000 0.551 209 K N 0.231 120.727 120.400 0.161 0.000 2.062 209 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 209 K C 2.007 178.626 176.600 0.032 0.000 1.051 209 K CA 0.958 57.305 56.287 0.101 0.000 0.941 209 K CB 0.142 32.676 32.500 0.055 0.000 0.719 209 K HN 0.066 nan 8.250 nan 0.000 0.440 210 R N -0.025 120.422 120.500 -0.089 0.000 2.092 210 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 210 R C 2.258 178.504 176.300 -0.091 0.000 1.119 210 R CA 1.492 57.499 56.100 -0.156 0.000 0.970 210 R CB -1.104 29.014 30.300 -0.303 0.000 0.864 210 R HN 0.453 nan 8.270 nan 0.000 0.440 211 Y N 0.960 121.252 120.300 -0.013 0.000 2.242 211 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 211 Y C 2.623 178.624 175.900 0.168 0.000 1.137 211 Y CA 0.619 58.772 58.100 0.087 0.000 1.181 211 Y CB -0.258 38.244 38.460 0.069 0.000 0.989 211 Y HN 0.120 nan 8.280 nan 0.000 0.527 212 A N 0.281 123.283 122.820 0.302 0.000 1.902 212 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 212 A C 1.757 179.423 177.584 0.137 0.000 1.181 212 A CA 2.046 54.215 52.037 0.219 0.000 0.623 212 A CB -0.580 18.528 19.000 0.180 0.000 0.818 212 A HN 0.347 nan 8.150 nan 0.000 0.443 213 D N -0.893 119.556 120.400 0.082 0.000 2.144 213 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 213 D C 2.141 178.451 176.300 0.018 0.000 0.978 213 D CA 1.456 55.473 54.000 0.028 0.000 0.833 213 D CB -0.219 40.576 40.800 -0.008 0.000 0.961 213 D HN 0.403 nan 8.370 nan 0.000 0.470 214 R N 0.812 121.317 120.500 0.009 0.000 2.062 214 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 214 R C 2.054 178.445 176.300 0.152 0.000 1.128 214 R CA 0.784 56.852 56.100 -0.053 0.000 0.960 214 R CB -0.887 29.203 30.300 -0.352 0.000 0.855 214 R HN 0.118 nan 8.270 nan 0.000 0.432 215 L N 0.932 122.373 121.223 0.363 0.000 2.217 215 L HA -0.004 4.336 4.340 -0.000 0.000 0.211 215 L C 1.823 178.866 176.870 0.289 0.000 1.107 215 L CA 1.548 56.699 54.840 0.520 0.000 0.783 215 L CB -0.560 41.767 42.059 0.448 0.000 0.919 215 L HN 0.219 nan 8.230 nan 0.000 0.442 216 E N 0.408 120.696 120.200 0.147 0.000 2.113 216 E HA -0.258 4.092 4.350 -0.000 0.000 0.210 216 E C -0.102 176.503 176.600 0.008 0.000 1.040 216 E CA 2.518 58.953 56.400 0.058 0.000 0.847 216 E CB -1.608 28.103 29.700 0.019 0.000 0.755 216 E HN 0.395 nan 8.360 nan 0.000 0.459 217 P HA -0.116 nan 4.420 nan 0.000 0.218 217 P C 1.037 178.237 177.300 -0.167 0.000 1.149 217 P CA 1.116 64.111 63.100 -0.176 0.000 0.817 217 P CB -0.186 31.320 31.700 -0.322 0.000 0.785 218 Y N -0.519 119.784 120.300 0.004 0.000 2.220 218 Y HA 0.001 4.551 4.550 -0.000 0.000 0.291 218 Y C 1.402 177.277 175.900 -0.040 0.000 1.129 218 Y CA -0.039 58.051 58.100 -0.015 0.000 1.161 218 Y CB -1.255 37.217 38.460 0.019 0.000 0.997 218 Y HN -0.146 nan 8.280 nan 0.000 0.522 219 I N 2.309 122.961 120.570 0.138 0.000 2.828 219 I HA -0.033 4.137 4.170 -0.000 0.000 0.292 219 I C 0.182 176.308 176.117 0.014 0.000 1.206 219 I CA 0.750 62.086 61.300 0.060 0.000 1.420 219 I CB -0.344 37.685 38.000 0.048 0.000 1.368 219 I HN 0.161 nan 8.210 nan 0.000 0.556 220 T N 0.857 115.409 114.554 -0.003 0.000 2.889 220 T HA 0.185 4.535 4.350 -0.000 0.000 0.315 220 T C -0.707 173.999 174.700 0.011 0.000 1.291 220 T CA -1.016 61.068 62.100 -0.027 0.000 1.028 220 T CB 1.992 70.790 68.868 -0.116 0.000 1.235 220 T HN 0.425 nan 8.240 nan 0.000 0.491 221 D N 1.291 121.718 120.400 0.045 0.000 2.416 221 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 221 D C 1.238 177.627 176.300 0.148 0.000 1.250 221 D CA 0.191 54.255 54.000 0.107 0.000 0.967 221 D CB 0.649 41.549 40.800 0.166 0.000 1.059 221 D HN 0.561 nan 8.370 nan 0.000 0.512 222 T N 2.271 116.900 114.554 0.126 0.000 2.652 222 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 222 T C 2.067 176.889 174.700 0.204 0.000 1.039 222 T CA 1.239 63.441 62.100 0.171 0.000 1.153 222 T CB 0.059 68.994 68.868 0.112 0.000 0.863 222 T HN 0.294 nan 8.240 nan 0.000 0.428 223 V N 1.314 121.323 119.914 0.158 0.000 2.252 223 V HA -0.245 3.874 4.120 -0.000 0.000 0.249 223 V C 2.340 178.549 176.094 0.191 0.000 1.056 223 V CA 2.254 64.639 62.300 0.141 0.000 1.022 223 V CB -0.821 31.067 31.823 0.108 0.000 0.641 223 V HN 0.561 nan 8.190 nan 0.000 0.445 224 H N -0.115 119.012 119.070 0.095 0.000 2.267 224 H HA -0.226 4.330 4.556 -0.000 0.000 0.297 224 H C 2.082 177.476 175.328 0.109 0.000 1.080 224 H CA 2.317 58.418 56.048 0.088 0.000 1.278 224 H CB -0.740 29.078 29.762 0.095 0.000 1.365 224 H HN 0.347 nan 8.280 nan 0.000 0.489 225 F N 1.238 121.187 119.950 -0.000 0.000 2.043 225 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 225 F C 2.477 178.279 175.800 0.004 0.000 1.118 225 F CA 1.843 59.792 58.000 -0.086 0.000 1.202 225 F CB -0.731 38.232 39.000 -0.061 0.000 0.965 225 F HN 0.158 nan 8.300 nan 0.000 0.482 226 I N 0.829 121.360 120.570 -0.064 0.000 2.118 226 I HA -0.369 3.801 4.170 -0.000 0.000 0.241 226 I C 2.185 178.220 176.117 -0.137 0.000 1.070 226 I CA 1.653 62.863 61.300 -0.151 0.000 1.327 226 I CB -1.747 36.269 38.000 0.027 0.000 1.034 226 I HN 0.279 nan 8.210 nan 0.000 0.405 227 N N 0.813 119.500 118.700 -0.021 0.000 2.084 227 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 227 N C 1.674 177.176 175.510 -0.012 0.000 1.030 227 N CA 1.622 54.675 53.050 0.004 0.000 0.849 227 N CB -0.526 37.993 38.487 0.053 0.000 1.012 227 N HN 0.408 nan 8.380 nan 0.000 0.423 228 D N 0.188 120.601 120.400 0.021 0.000 2.097 228 D HA -0.026 4.614 4.640 -0.000 0.000 0.195 228 D C 1.772 178.005 176.300 -0.111 0.000 0.989 228 D CA 1.137 55.144 54.000 0.012 0.000 0.827 228 D CB 0.023 40.858 40.800 0.058 0.000 0.966 228 D HN 0.040 nan 8.370 nan 0.000 0.456 229 S N -0.512 115.018 115.700 -0.283 0.000 2.370 229 S HA -0.133 4.337 4.470 -0.000 0.000 0.226 229 S C 2.098 176.596 174.600 -0.169 0.000 1.033 229 S CA 0.705 58.713 58.200 -0.321 0.000 1.011 229 S CB -0.280 62.537 63.200 -0.638 0.000 0.852 229 S HN 0.330 nan 8.310 nan 0.000 0.457 230 I N 1.968 122.457 120.570 -0.135 0.000 2.226 230 I HA -0.188 3.981 4.170 -0.000 0.000 0.245 230 I C 2.536 178.626 176.117 -0.045 0.000 1.100 230 I CA 1.416 62.675 61.300 -0.068 0.000 1.374 230 I CB -0.478 37.496 38.000 -0.043 0.000 1.057 230 I HN 0.363 nan 8.210 nan 0.000 0.413 231 S N -0.204 115.473 115.700 -0.039 0.000 2.481 231 S HA -0.108 4.361 4.470 -0.000 0.000 0.231 231 S C 1.703 176.288 174.600 -0.024 0.000 0.996 231 S CA 0.488 58.674 58.200 -0.022 0.000 0.942 231 S CB -0.177 63.018 63.200 -0.009 0.000 0.768 231 S HN 0.393 nan 8.310 nan 0.000 0.520 232 Q N 0.869 120.646 119.800 -0.038 0.000 2.415 232 Q HA 0.206 4.546 4.340 -0.000 0.000 0.206 232 Q C -0.017 175.962 176.000 -0.034 0.000 0.946 232 Q CA 0.189 55.971 55.803 -0.034 0.000 0.951 232 Q CB -0.158 28.554 28.738 -0.045 0.000 1.026 232 Q HN 0.438 nan 8.270 nan 0.000 0.510 233 K N -0.369 120.010 120.400 -0.035 0.000 3.341 233 K HA -0.122 4.198 4.320 -0.000 0.000 0.305 233 K C -0.394 176.184 176.600 -0.037 0.000 1.270 233 K CA 0.580 56.848 56.287 -0.032 0.000 0.897 233 K CB -1.372 31.112 32.500 -0.027 0.000 1.264 233 K HN 0.167 nan 8.250 nan 0.000 0.468 234 K N 1.656 122.029 120.400 -0.044 0.000 2.298 234 K HA 0.191 4.511 4.320 -0.000 0.000 0.280 234 K C 0.462 177.053 176.600 -0.015 0.000 1.032 234 K CA -0.342 55.923 56.287 -0.037 0.000 0.958 234 K CB 0.632 33.098 32.500 -0.058 0.000 0.978 234 K HN -0.080 nan 8.250 nan 0.000 0.472 235 K N 1.082 121.478 120.400 -0.006 0.000 2.322 235 K HA 0.208 4.528 4.320 -0.000 0.000 0.283 235 K C -0.369 176.383 176.600 0.255 0.000 1.042 235 K CA -0.205 56.101 56.287 0.031 0.000 0.958 235 K CB 0.692 33.053 32.500 -0.232 0.000 0.984 235 K HN 0.188 nan 8.250 nan 0.000 0.473 236 V N 4.332 124.449 119.914 0.338 0.000 2.487 236 V HA 0.371 4.491 4.120 -0.000 0.000 0.298 236 V C -1.146 175.080 176.094 0.220 0.000 1.028 236 V CA -1.010 61.452 62.300 0.271 0.000 0.860 236 V CB 1.495 33.383 31.823 0.107 0.000 0.991 236 V HN 0.497 nan 8.190 nan 0.000 0.427 237 L N 6.755 127.923 121.223 -0.092 0.000 2.316 237 L HA 0.632 4.972 4.340 -0.000 0.000 0.280 237 L C -0.372 176.358 176.870 -0.233 0.000 1.006 237 L CA -0.019 54.510 54.840 -0.519 0.000 0.836 237 L CB 1.606 42.928 42.059 -1.228 0.000 1.221 237 L HN 0.464 nan 8.230 nan 0.000 0.418 238 V N 4.418 124.246 119.914 -0.144 0.000 2.461 238 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 238 V C 0.324 176.371 176.094 -0.079 0.000 1.047 238 V CA -0.561 61.696 62.300 -0.072 0.000 0.955 238 V CB 1.201 33.008 31.823 -0.027 0.000 0.988 238 V HN 0.802 nan 8.190 nan 0.000 0.471 239 E N 3.902 124.071 120.200 -0.052 0.000 2.115 239 E HA 0.461 4.811 4.350 -0.000 0.000 0.282 239 E C 0.446 177.056 176.600 0.016 0.000 0.987 239 E CA -0.561 55.824 56.400 -0.024 0.000 0.797 239 E CB 1.072 30.763 29.700 -0.015 0.000 1.086 239 E HN 0.860 nan 8.360 nan 0.000 0.397 240 G N 3.073 111.887 108.800 0.024 0.000 2.343 240 G HA2 0.163 4.123 3.960 -0.000 0.000 0.254 240 G HA3 0.163 4.123 3.960 -0.000 0.000 0.254 240 G C 0.882 175.833 174.900 0.085 0.000 1.277 240 G CA -0.007 45.117 45.100 0.040 0.000 0.909 240 G HN 0.729 nan 8.290 nan 0.000 0.502 241 G N 1.565 110.406 108.800 0.069 0.000 2.511 241 G HA2 0.027 3.987 3.960 -0.000 0.000 0.216 241 G HA3 0.027 3.987 3.960 -0.000 0.000 0.216 241 G C 0.803 175.769 174.900 0.110 0.000 1.218 241 G CA 0.931 46.086 45.100 0.091 0.000 0.788 241 G HN 0.629 nan 8.290 nan 0.000 0.560 242 Q N -1.953 117.876 119.800 0.049 0.000 3.177 242 Q HA 0.633 4.973 4.340 -0.000 0.000 0.339 242 Q C -0.775 175.216 176.000 -0.015 0.000 0.912 242 Q CA -0.902 54.912 55.803 0.017 0.000 0.818 242 Q CB 1.565 30.316 28.738 0.021 0.000 1.448 242 Q HN 0.339 nan 8.270 nan 0.000 0.489 243 A N 0.011 122.805 122.820 -0.044 0.000 2.279 243 A HA 0.355 4.675 4.320 -0.000 0.000 0.303 243 A C 0.924 178.450 177.584 -0.096 0.000 1.108 243 A CA 0.213 52.200 52.037 -0.085 0.000 0.830 243 A CB 0.431 19.344 19.000 -0.145 0.000 1.106 243 A HN 0.812 nan 8.150 nan 0.000 0.493 244 T N -0.882 113.616 114.554 -0.093 0.000 2.915 244 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 244 T C 1.347 175.979 174.700 -0.113 0.000 1.071 244 T CA 1.561 63.626 62.100 -0.058 0.000 1.132 244 T CB -0.333 68.517 68.868 -0.030 0.000 0.878 244 T HN 0.424 nan 8.240 nan 0.000 0.479 245 M N 0.584 119.959 119.600 -0.375 0.000 2.632 245 M HA 0.291 4.771 4.480 -0.000 0.000 0.256 245 M C 1.585 177.712 176.300 -0.289 0.000 1.080 245 M CA 0.571 55.522 55.300 -0.582 0.000 1.084 245 M CB -1.121 30.487 32.600 -1.654 0.000 1.439 245 M HN 0.346 nan 8.290 nan 0.000 0.509 246 L N -0.856 120.273 121.223 -0.156 0.000 2.693 246 L HA 0.144 4.484 4.340 -0.000 0.000 0.235 246 L C 0.168 177.049 176.870 0.018 0.000 1.127 246 L CA -0.329 54.514 54.840 0.004 0.000 0.914 246 L CB -0.001 42.070 42.059 0.019 0.000 1.193 246 L HN 0.136 nan 8.230 nan 0.000 0.502 247 D N 0.191 120.602 120.400 0.017 0.000 2.443 247 D HA -0.076 4.564 4.640 -0.000 0.000 0.239 247 D C 1.217 177.510 176.300 -0.010 0.000 1.136 247 D CA 0.075 54.080 54.000 0.008 0.000 0.879 247 D CB 1.127 41.975 40.800 0.080 0.000 1.195 247 D HN -0.015 nan 8.370 nan 0.000 0.443 248 I N 2.524 123.049 120.570 -0.077 0.000 2.454 248 I HA -0.177 3.992 4.170 -0.000 0.000 0.254 248 I C 1.141 177.193 176.117 -0.108 0.000 1.156 248 I CA 1.615 62.882 61.300 -0.055 0.000 1.433 248 I CB -0.019 37.907 38.000 -0.123 0.000 1.082 248 I HN 0.487 nan 8.210 nan 0.000 0.432 249 D N -0.635 119.585 120.400 -0.301 0.000 2.652 249 D HA 0.054 4.694 4.640 -0.000 0.000 0.261 249 D C 1.725 177.816 176.300 -0.348 0.000 1.024 249 D CA 1.090 54.786 54.000 -0.507 0.000 0.958 249 D CB -0.174 40.004 40.800 -1.038 0.000 1.113 249 D HN 0.358 nan 8.370 nan 0.000 0.471 250 F N 1.460 121.474 119.950 0.107 0.000 2.797 250 F HA 0.258 4.785 4.527 -0.000 0.000 0.302 250 F C 1.740 177.709 175.800 0.283 0.000 1.130 250 F CA -0.465 57.682 58.000 0.245 0.000 1.387 250 F CB 0.008 39.117 39.000 0.182 0.000 1.107 250 F HN -0.128 nan 8.300 nan 0.000 0.577 251 G N 0.361 109.322 108.800 0.269 0.000 2.504 251 G HA2 0.256 4.216 3.960 -0.000 0.000 0.257 251 G HA3 0.256 4.216 3.960 -0.000 0.000 0.257 251 G C 0.343 175.444 174.900 0.334 0.000 1.451 251 G CA 0.012 45.249 45.100 0.229 0.000 1.059 251 G HN 0.151 nan 8.290 nan 0.000 0.550 252 T N -2.325 112.450 114.554 0.369 0.000 3.218 252 T HA 0.252 4.602 4.350 -0.000 0.000 0.236 252 T C 0.082 175.001 174.700 0.365 0.000 1.005 252 T CA -0.569 61.790 62.100 0.432 0.000 1.055 252 T CB -0.707 68.482 68.868 0.536 0.000 1.136 252 T HN 0.348 nan 8.240 nan 0.000 0.577 253 Y N 3.639 124.036 120.300 0.163 0.000 2.987 253 Y HA 0.076 4.625 4.550 -0.000 0.000 0.339 253 Y C -1.223 174.707 175.900 0.049 0.000 1.272 253 Y CA -1.196 56.941 58.100 0.063 0.000 1.562 253 Y CB 0.810 39.282 38.460 0.019 0.000 1.253 253 Y HN 0.261 nan 8.280 nan 0.000 0.604 254 P HA 0.039 nan 4.420 nan 0.000 0.256 254 P C -0.641 176.207 177.300 -0.753 0.000 1.384 254 P CA 0.422 62.832 63.100 -1.149 0.000 0.879 254 P CB -0.365 30.613 31.700 -1.205 0.000 1.403 255 F N 1.528 121.399 119.950 -0.131 0.000 2.752 255 F HA 0.150 4.677 4.527 -0.000 0.000 0.332 255 F C 1.107 176.923 175.800 0.026 0.000 1.188 255 F CA -0.499 57.470 58.000 -0.052 0.000 1.296 255 F CB 0.012 38.996 39.000 -0.025 0.000 1.526 255 F HN -0.172 nan 8.300 nan 0.000 0.576 256 V N -3.568 116.379 119.914 0.054 0.000 3.156 256 V HA 0.643 4.763 4.120 -0.000 0.000 0.310 256 V C -0.148 175.956 176.094 0.017 0.000 1.234 256 V CA -0.900 61.448 62.300 0.080 0.000 1.065 256 V CB 1.498 33.379 31.823 0.098 0.000 1.088 256 V HN 0.023 nan 8.190 nan 0.000 0.451 257 T N -0.537 114.024 114.554 0.011 0.000 2.881 257 T HA 0.376 4.726 4.350 -0.000 0.000 0.278 257 T C 1.043 175.698 174.700 -0.075 0.000 0.982 257 T CA 0.426 62.514 62.100 -0.019 0.000 0.989 257 T CB 1.420 70.283 68.868 -0.009 0.000 1.058 257 T HN 0.884 nan 8.240 nan 0.000 0.529 258 S N 1.031 116.659 115.700 -0.120 0.000 2.527 258 S HA 0.080 4.550 4.470 -0.000 0.000 0.222 258 S C 1.180 175.438 174.600 -0.569 0.000 0.985 258 S CA 0.184 58.231 58.200 -0.255 0.000 0.921 258 S CB -0.161 62.941 63.200 -0.162 0.000 0.772 258 S HN 0.815 nan 8.310 nan 0.000 0.529 259 S N 0.977 116.376 115.700 -0.502 0.000 2.607 259 S HA 0.460 4.930 4.470 -0.000 0.000 0.272 259 S C 0.016 174.462 174.600 -0.257 0.000 1.166 259 S CA -0.648 57.242 58.200 -0.517 0.000 1.021 259 S CB 0.759 63.808 63.200 -0.252 0.000 1.113 259 S HN 0.010 nan 8.310 nan 0.000 0.531 260 S N 2.119 117.722 115.700 -0.160 0.000 2.252 260 S HA 0.403 4.873 4.470 -0.000 0.000 0.187 260 S C -2.430 172.155 174.600 -0.025 0.000 1.587 260 S CA -0.898 57.250 58.200 -0.087 0.000 1.215 260 S CB 1.154 64.307 63.200 -0.078 0.000 1.085 260 S HN 0.525 nan 8.310 nan 0.000 0.466 261 P HA 0.015 nan 4.420 nan 0.000 0.236 261 P C 0.151 177.466 177.300 0.025 0.000 1.172 261 P CA 0.650 63.756 63.100 0.009 0.000 0.759 261 P CB 0.143 31.843 31.700 0.000 0.000 0.843 262 S N -0.447 115.278 115.700 0.042 0.000 2.608 262 S HA 0.298 4.768 4.470 -0.000 0.000 0.261 262 S C 1.744 176.339 174.600 -0.009 0.000 1.314 262 S CA -0.004 58.215 58.200 0.032 0.000 0.992 262 S CB 0.476 63.769 63.200 0.154 0.000 0.935 262 S HN 0.049 nan 8.310 nan 0.000 0.564 263 A N 1.185 123.957 122.820 -0.081 0.000 2.019 263 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 263 A C 2.128 179.687 177.584 -0.042 0.000 1.164 263 A CA 1.710 53.696 52.037 -0.085 0.000 0.644 263 A CB -1.318 17.576 19.000 -0.177 0.000 0.805 263 A HN 0.889 nan 8.150 nan 0.000 0.449 264 G N -0.431 108.360 108.800 -0.015 0.000 2.408 264 G HA2 0.040 3.999 3.960 -0.000 0.000 0.217 264 G HA3 0.040 3.999 3.960 -0.000 0.000 0.217 264 G C 1.452 176.358 174.900 0.010 0.000 1.150 264 G CA 1.050 46.155 45.100 0.009 0.000 0.776 264 G HN 0.688 nan 8.290 nan 0.000 0.542 265 G N 0.790 109.597 108.800 0.012 0.000 2.498 265 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.219 265 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.219 265 G C 1.649 176.558 174.900 0.015 0.000 1.119 265 G CA 0.544 45.650 45.100 0.009 0.000 0.766 265 G HN 0.471 nan 8.290 nan 0.000 0.552 266 I N 0.162 120.738 120.570 0.010 0.000 2.286 266 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 266 I C 2.671 178.797 176.117 0.016 0.000 1.104 266 I CA 0.513 61.820 61.300 0.012 0.000 1.397 266 I CB -0.270 37.732 38.000 0.005 0.000 1.072 266 I HN 0.182 nan 8.210 nan 0.000 0.417 267 C N 0.434 119.740 119.300 0.011 0.000 2.489 267 C HA -0.123 4.337 4.460 -0.000 0.000 0.279 267 C C 3.134 178.137 174.990 0.021 0.000 1.266 267 C CA 1.588 60.614 59.018 0.013 0.000 1.707 267 C CB -1.269 26.475 27.740 0.005 0.000 2.059 267 C HN 0.588 nan 8.230 nan 0.000 0.481 268 T N -1.096 113.470 114.554 0.021 0.000 2.995 268 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 268 T C 1.693 176.418 174.700 0.041 0.000 1.091 268 T CA 1.691 63.807 62.100 0.027 0.000 1.128 268 T CB -0.465 68.415 68.868 0.019 0.000 0.891 268 T HN 0.544 nan 8.240 nan 0.000 0.492 269 G N 0.130 108.955 108.800 0.040 0.000 2.939 269 G HA2 0.395 4.355 3.960 -0.000 0.000 0.210 269 G HA3 0.395 4.355 3.960 -0.000 0.000 0.210 269 G C 1.209 176.141 174.900 0.052 0.000 1.160 269 G CA -0.065 45.066 45.100 0.052 0.000 0.770 269 G HN 0.520 nan 8.290 nan 0.000 0.543 270 L N -1.439 119.812 121.223 0.047 0.000 2.854 270 L HA 0.343 4.683 4.340 -0.000 0.000 0.249 270 L C 1.587 178.491 176.870 0.057 0.000 1.091 270 L CA 0.513 55.385 54.840 0.054 0.000 0.935 270 L CB 0.729 42.816 42.059 0.047 0.000 1.367 270 L HN 0.254 nan 8.230 nan 0.000 0.524 271 G N 1.832 110.660 108.800 0.046 0.000 2.167 271 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.194 271 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.194 271 G C -0.187 174.734 174.900 0.034 0.000 1.027 271 G CA -0.351 44.775 45.100 0.044 0.000 0.717 271 G HN 0.185 nan 8.290 nan 0.000 0.501 272 I N 0.996 121.583 120.570 0.027 0.000 2.377 272 I HA 0.621 4.791 4.170 -0.000 0.000 0.293 272 I C 0.970 177.094 176.117 0.012 0.000 0.987 272 I CA -0.754 60.557 61.300 0.019 0.000 1.185 272 I CB 1.810 39.821 38.000 0.018 0.000 1.341 272 I HN 0.313 nan 8.210 nan 0.000 0.455 273 A N 7.581 130.406 122.820 0.008 0.000 2.407 273 A HA 0.333 4.653 4.320 -0.000 0.000 0.248 273 A C -1.776 175.807 177.584 -0.002 0.000 1.082 273 A CA -1.011 51.027 52.037 0.003 0.000 0.785 273 A CB -0.099 18.901 19.000 0.001 0.000 1.020 273 A HN 0.562 nan 8.150 nan 0.000 0.489 274 P HA -0.171 nan 4.420 nan 0.000 0.218 274 P C 1.562 178.853 177.300 -0.015 0.000 1.148 274 P CA 2.060 65.151 63.100 -0.015 0.000 0.822 274 P CB 0.088 31.776 31.700 -0.020 0.000 0.784 275 S N -1.902 113.791 115.700 -0.011 0.000 2.481 275 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 275 S C 1.772 176.369 174.600 -0.005 0.000 0.996 275 S CA 0.776 58.970 58.200 -0.010 0.000 0.942 275 S CB -1.330 61.864 63.200 -0.009 0.000 0.768 275 S HN -0.022 nan 8.310 nan 0.000 0.520 276 V N 1.297 121.210 119.914 -0.002 0.000 2.725 276 V HA 0.115 4.234 4.120 -0.000 0.000 0.247 276 V C 1.028 177.127 176.094 0.009 0.000 1.058 276 V CA 0.305 62.607 62.300 0.003 0.000 1.080 276 V CB -0.399 31.427 31.823 0.004 0.000 0.713 276 V HN 0.391 nan 8.190 nan 0.000 0.465 277 V N 1.841 121.758 119.914 0.006 0.000 2.485 277 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 277 V C 1.183 177.285 176.094 0.014 0.000 1.022 277 V CA 0.755 63.061 62.300 0.010 0.000 1.067 277 V CB 0.100 31.921 31.823 -0.003 0.000 0.967 277 V HN 0.381 nan 8.190 nan 0.000 0.479 278 G N 3.827 112.646 108.800 0.032 0.000 2.975 278 G HA2 0.169 4.129 3.960 -0.000 0.000 0.159 278 G HA3 0.169 4.129 3.960 -0.000 0.000 0.159 278 G C -0.224 174.703 174.900 0.046 0.000 1.525 278 G CA -0.534 44.590 45.100 0.039 0.000 1.075 278 G HN 0.633 nan 8.290 nan 0.000 0.574 279 D N 0.764 121.205 120.400 0.067 0.000 2.425 279 D HA 0.252 4.892 4.640 -0.000 0.000 0.247 279 D C -0.079 176.284 176.300 0.104 0.000 1.147 279 D CA 0.621 54.673 54.000 0.085 0.000 0.879 279 D CB 1.312 42.169 40.800 0.096 0.000 1.179 279 D HN 0.010 nan 8.370 nan 0.000 0.456 280 L N 3.098 124.404 121.223 0.138 0.000 2.313 280 L HA 0.464 4.804 4.340 -0.000 0.000 0.283 280 L C 0.098 177.150 176.870 0.304 0.000 1.013 280 L CA -0.796 54.169 54.840 0.209 0.000 0.816 280 L CB 1.422 43.609 42.059 0.213 0.000 1.236 280 L HN 0.141 nan 8.230 nan 0.000 0.419 281 I N 2.360 123.019 120.570 0.149 0.000 2.321 281 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 281 I C 0.739 176.662 176.117 -0.323 0.000 0.998 281 I CA -0.341 60.952 61.300 -0.012 0.000 1.227 281 I CB 1.593 39.574 38.000 -0.032 0.000 1.368 281 I HN 0.624 nan 8.210 nan 0.000 0.466 282 G N 6.128 114.397 108.800 -0.885 0.000 2.350 282 G HA2 0.438 4.398 3.960 -0.000 0.000 0.306 282 G HA3 0.438 4.398 3.960 -0.000 0.000 0.306 282 G C -0.267 174.260 174.900 -0.622 0.000 1.094 282 G CA -0.329 43.902 45.100 -1.449 0.000 0.953 282 G HN 0.390 nan 8.290 nan 0.000 0.420 283 V N 3.783 123.457 119.914 -0.401 0.000 2.415 283 V HA 0.198 4.318 4.120 -0.000 0.000 0.267 283 V C 0.538 176.506 176.094 -0.210 0.000 1.042 283 V CA -0.309 61.847 62.300 -0.241 0.000 1.000 283 V CB 0.542 32.252 31.823 -0.188 0.000 1.015 283 V HN 0.626 nan 8.190 nan 0.000 0.478 284 V N 2.722 122.540 119.914 -0.160 0.000 2.448 284 V HA 0.577 4.697 4.120 -0.000 0.000 0.295 284 V C -0.123 175.933 176.094 -0.064 0.000 1.025 284 V CA -1.237 60.997 62.300 -0.110 0.000 0.859 284 V CB 1.352 33.121 31.823 -0.089 0.000 0.988 284 V HN 0.766 nan 8.190 nan 0.000 0.431 285 K N 3.202 123.551 120.400 -0.084 0.000 2.202 285 K HA 0.594 4.914 4.320 -0.000 0.000 0.264 285 K C 1.354 177.958 176.600 0.007 0.000 1.010 285 K CA 0.148 56.364 56.287 -0.119 0.000 0.940 285 K CB 1.550 33.852 32.500 -0.331 0.000 0.983 285 K HN 0.930 nan 8.250 nan 0.000 0.475 286 A N 3.300 126.209 122.820 0.149 0.000 2.131 286 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 286 A C 0.071 177.993 177.584 0.563 0.000 1.158 286 A CA 1.283 53.578 52.037 0.431 0.000 0.665 286 A CB -0.617 18.702 19.000 0.532 0.000 0.795 286 A HN 0.734 nan 8.150 nan 0.000 0.460 287 Y N -3.071 117.364 120.300 0.224 0.000 3.059 287 Y HA 0.682 5.232 4.550 -0.000 0.000 0.301 287 Y C -0.136 175.879 175.900 0.191 0.000 1.677 287 Y CA -1.043 57.185 58.100 0.214 0.000 1.079 287 Y CB 0.187 38.685 38.460 0.064 0.000 1.534 287 Y HN 0.043 nan 8.280 nan 0.000 0.473 288 T N -0.828 113.853 114.554 0.211 0.000 2.906 288 T HA 0.796 5.146 4.350 -0.000 0.000 0.295 288 T C -0.686 174.117 174.700 0.172 0.000 1.075 288 T CA -0.146 62.046 62.100 0.153 0.000 1.005 288 T CB 1.689 70.791 68.868 0.390 0.000 1.136 288 T HN 1.308 nan 8.240 nan 0.000 0.498 289 T N -0.875 113.672 114.554 -0.013 0.000 2.864 289 T HA 0.789 5.139 4.350 -0.000 0.000 0.299 289 T C -1.042 173.469 174.700 -0.315 0.000 1.166 289 T CA -1.111 60.947 62.100 -0.071 0.000 1.007 289 T CB 2.136 70.976 68.868 -0.046 0.000 1.219 289 T HN 0.925 nan 8.240 nan 0.000 0.506 290 R N 0.849 121.151 120.500 -0.330 0.000 2.523 290 R HA 0.506 4.845 4.340 -0.000 0.000 0.278 290 R C 0.160 176.343 176.300 -0.194 0.000 1.150 290 R CA -0.530 55.327 56.100 -0.405 0.000 0.987 290 R CB 2.325 32.065 30.300 -0.933 0.000 1.232 290 R HN 0.560 nan 8.270 nan 0.000 0.424 291 V N 3.552 123.403 119.914 -0.104 0.000 2.302 291 V HA 0.193 4.313 4.120 -0.000 0.000 0.243 291 V C 0.974 177.027 176.094 -0.067 0.000 1.036 291 V CA 2.142 64.407 62.300 -0.059 0.000 1.020 291 V CB 0.021 31.837 31.823 -0.013 0.000 0.657 291 V HN 0.798 nan 8.190 nan 0.000 0.453 292 G N -0.132 108.623 108.800 -0.074 0.000 2.543 292 G HA2 0.429 4.389 3.960 -0.000 0.000 0.267 292 G HA3 0.429 4.389 3.960 -0.000 0.000 0.267 292 G C -0.041 174.741 174.900 -0.196 0.000 1.406 292 G CA 0.304 45.344 45.100 -0.099 0.000 1.048 292 G HN 0.716 nan 8.290 nan 0.000 0.548 293 S N -2.026 113.502 115.700 -0.287 0.000 2.693 293 S HA 0.836 5.306 4.470 -0.000 0.000 0.276 293 S C 0.311 174.436 174.600 -0.791 0.000 1.192 293 S CA 0.238 58.159 58.200 -0.465 0.000 0.994 293 S CB 1.324 64.204 63.200 -0.532 0.000 1.012 293 S HN 2.327 nan 8.310 nan 0.000 0.550 294 G N -0.184 108.065 108.800 -0.919 0.000 2.347 294 G HA2 0.255 4.215 3.960 -0.000 0.000 0.341 294 G HA3 0.255 4.215 3.960 -0.000 0.000 0.341 294 G C -3.607 171.030 174.900 -0.439 0.000 1.287 294 G CA -1.128 43.331 45.100 -1.067 0.000 0.984 294 G HN 0.691 nan 8.290 nan 0.000 0.526 295 P HA 0.488 nan 4.420 nan 0.000 0.267 295 P C -0.852 176.412 177.300 -0.060 0.000 1.205 295 P CA 0.223 63.286 63.100 -0.062 0.000 0.765 295 P CB 0.278 32.020 31.700 0.070 0.000 0.828 296 F N 6.432 126.239 119.950 -0.238 0.000 3.228 296 F HA 0.318 4.845 4.527 -0.000 0.000 0.390 296 F C -2.272 173.439 175.800 -0.147 0.000 1.235 296 F CA -2.953 54.853 58.000 -0.324 0.000 1.236 296 F CB 0.911 39.667 39.000 -0.408 0.000 1.855 296 F HN 0.195 nan 8.300 nan 0.000 0.647 297 P HA -0.130 nan 4.420 nan 0.000 0.215 297 P C 1.280 178.611 177.300 0.051 0.000 1.157 297 P CA 2.078 65.206 63.100 0.048 0.000 0.874 297 P CB 0.181 31.906 31.700 0.040 0.000 0.790 298 T N -3.797 110.837 114.554 0.133 0.000 3.188 298 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 298 T C 0.502 175.007 174.700 -0.325 0.000 1.077 298 T CA -0.370 61.833 62.100 0.173 0.000 0.967 298 T CB -0.631 68.515 68.868 0.463 0.000 1.006 298 T HN 0.140 nan 8.240 nan 0.000 0.552 299 E N 2.379 121.973 120.200 -1.010 0.000 2.415 299 E HA -0.005 4.345 4.350 -0.000 0.000 0.263 299 E C -0.358 175.939 176.600 -0.505 0.000 0.995 299 E CA -0.230 55.396 56.400 -1.290 0.000 0.915 299 E CB 0.307 29.279 29.700 -1.214 0.000 0.951 299 E HN 0.284 nan 8.360 nan 0.000 0.449 300 N N 4.948 123.391 118.700 -0.429 0.000 2.417 300 N HA 0.151 4.891 4.740 -0.000 0.000 0.274 300 N C -0.566 174.823 175.510 -0.202 0.000 0.987 300 N CA -0.320 52.586 53.050 -0.240 0.000 0.912 300 N CB 0.912 39.236 38.487 -0.272 0.000 1.177 300 N HN 0.538 nan 8.380 nan 0.000 0.490 301 L N 2.801 123.943 121.223 -0.135 0.000 3.062 301 L HA 0.427 4.766 4.340 -0.000 0.000 0.255 301 L C 1.032 177.857 176.870 -0.076 0.000 1.274 301 L CA -0.358 54.419 54.840 -0.105 0.000 1.047 301 L CB 0.503 42.509 42.059 -0.089 0.000 1.402 301 L HN 0.551 nan 8.230 nan 0.000 0.550 302 G N -1.441 107.312 108.800 -0.077 0.000 3.214 302 G HA2 0.215 4.175 3.960 -0.000 0.000 0.188 302 G HA3 0.215 4.175 3.960 -0.000 0.000 0.188 302 G C 0.509 175.372 174.900 -0.061 0.000 1.126 302 G CA 0.297 45.363 45.100 -0.055 0.000 0.796 302 G HN -0.068 nan 8.290 nan 0.000 0.631 303 T N 0.828 115.355 114.554 -0.045 0.000 2.580 303 T HA -0.107 4.242 4.350 -0.000 0.000 0.265 303 T C 2.458 177.115 174.700 -0.071 0.000 1.063 303 T CA 2.328 64.400 62.100 -0.047 0.000 1.170 303 T CB -0.952 67.897 68.868 -0.031 0.000 0.863 303 T HN 0.678 nan 8.240 nan 0.000 0.418 304 G N 0.812 109.578 108.800 -0.056 0.000 2.469 304 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.220 304 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.220 304 G C 1.648 176.393 174.900 -0.258 0.000 1.136 304 G CA 1.169 46.206 45.100 -0.106 0.000 0.759 304 G HN 0.601 nan 8.290 nan 0.000 0.562 305 G N 0.844 109.511 108.800 -0.221 0.000 2.434 305 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.214 305 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.214 305 G C 1.429 176.210 174.900 -0.198 0.000 1.202 305 G CA 1.167 46.118 45.100 -0.249 0.000 0.788 305 G HN 0.325 nan 8.290 nan 0.000 0.539 306 D N 0.193 120.512 120.400 -0.135 0.000 2.221 306 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 306 D C 2.357 178.600 176.300 -0.095 0.000 0.982 306 D CA 0.393 54.338 54.000 -0.093 0.000 0.857 306 D CB -0.085 40.687 40.800 -0.047 0.000 0.934 306 D HN 0.304 nan 8.370 nan 0.000 0.475 307 L N 0.140 121.286 121.223 -0.128 0.000 2.044 307 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 307 L C 2.351 179.105 176.870 -0.193 0.000 1.075 307 L CA 0.668 55.428 54.840 -0.134 0.000 0.747 307 L CB -0.084 41.893 42.059 -0.137 0.000 0.903 307 L HN -0.020 nan 8.230 nan 0.000 0.435 308 L N -0.345 120.695 121.223 -0.304 0.000 2.079 308 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 308 L C 2.814 179.517 176.870 -0.278 0.000 1.081 308 L CA 1.332 55.902 54.840 -0.451 0.000 0.752 308 L CB -0.551 41.113 42.059 -0.659 0.000 0.896 308 L HN 0.327 nan 8.230 nan 0.000 0.433 309 R N 0.483 120.861 120.500 -0.204 0.000 2.081 309 R HA -0.159 4.180 4.340 -0.000 0.000 0.235 309 R C 2.268 178.524 176.300 -0.074 0.000 1.131 309 R CA 1.345 57.321 56.100 -0.207 0.000 0.960 309 R CB -0.123 29.974 30.300 -0.339 0.000 0.856 309 R HN 0.326 nan 8.270 nan 0.000 0.436 310 L N -0.063 121.172 121.223 0.020 0.000 2.044 310 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 310 L C 2.744 179.661 176.870 0.078 0.000 1.075 310 L CA 1.140 56.069 54.840 0.148 0.000 0.747 310 L CB -0.576 41.542 42.059 0.098 0.000 0.903 310 L HN 0.256 nan 8.230 nan 0.000 0.435 311 A N 0.241 123.055 122.820 -0.010 0.000 1.972 311 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 311 A C 2.193 179.791 177.584 0.022 0.000 1.169 311 A CA 1.810 53.834 52.037 -0.022 0.000 0.635 311 A CB -0.958 17.985 19.000 -0.095 0.000 0.810 311 A HN 0.470 nan 8.150 nan 0.000 0.446 312 G N -2.666 106.155 108.800 0.035 0.000 3.088 312 G HA2 0.296 4.256 3.960 -0.000 0.000 0.217 312 G HA3 0.296 4.256 3.960 -0.000 0.000 0.217 312 G C 0.367 175.352 174.900 0.141 0.000 1.159 312 G CA 0.425 45.602 45.100 0.129 0.000 0.760 312 G HN 0.296 nan 8.290 nan 0.000 0.550 313 Q N 0.473 120.369 119.800 0.159 0.000 2.475 313 Q HA -0.140 4.200 4.340 -0.000 0.000 0.280 313 Q C -0.371 175.777 176.000 0.247 0.000 1.234 313 Q CA 0.760 56.727 55.803 0.273 0.000 0.873 313 Q CB -1.737 27.125 28.738 0.206 0.000 1.256 313 Q HN 0.500 nan 8.270 nan 0.000 0.475 314 E N 0.351 120.570 120.200 0.031 0.000 2.323 314 E HA 0.221 4.571 4.350 -0.000 0.000 0.313 314 E C -0.149 176.235 176.600 -0.360 0.000 1.236 314 E CA 0.368 56.700 56.400 -0.112 0.000 1.333 314 E CB -0.711 28.914 29.700 -0.125 0.000 1.138 314 E HN 0.185 nan 8.360 nan 0.000 0.492 315 F N -0.824 119.149 119.950 0.038 0.000 2.576 315 F HA 0.430 4.957 4.527 -0.000 0.000 0.313 315 F C 1.254 177.073 175.800 0.032 0.000 1.078 315 F CA -1.233 56.786 58.000 0.030 0.000 0.921 315 F CB 1.421 40.436 39.000 0.026 0.000 1.232 315 F HN 0.107 nan 8.300 nan 0.000 0.459 316 G N 0.780 109.711 108.800 0.218 0.000 2.305 316 G HA2 0.272 4.232 3.960 -0.000 0.000 0.243 316 G HA3 0.272 4.232 3.960 -0.000 0.000 0.243 316 G C 0.598 175.578 174.900 0.133 0.000 1.288 316 G CA -0.217 44.965 45.100 0.138 0.000 0.901 316 G HN 0.759 nan 8.290 nan 0.000 0.516 317 T N 1.881 116.497 114.554 0.104 0.000 2.857 317 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 317 T C 2.448 177.195 174.700 0.078 0.000 1.048 317 T CA 1.742 63.897 62.100 0.090 0.000 1.139 317 T CB -0.023 68.893 68.868 0.080 0.000 0.874 317 T HN 0.499 nan 8.240 nan 0.000 0.455 318 T N 1.387 115.989 114.554 0.079 0.000 3.037 318 T HA 0.032 4.382 4.350 -0.000 0.000 0.252 318 T C 2.225 176.960 174.700 0.059 0.000 1.073 318 T CA 1.131 63.271 62.100 0.066 0.000 1.091 318 T CB -0.000 68.909 68.868 0.069 0.000 0.935 318 T HN 0.597 nan 8.240 nan 0.000 0.488 319 T N -1.616 112.980 114.554 0.070 0.000 2.999 319 T HA 0.451 4.801 4.350 -0.000 0.000 0.247 319 T C 1.931 176.677 174.700 0.077 0.000 1.012 319 T CA 0.621 62.762 62.100 0.068 0.000 1.048 319 T CB -0.012 68.900 68.868 0.074 0.000 1.020 319 T HN 0.403 nan 8.240 nan 0.000 0.478 320 G N 2.313 111.177 108.800 0.106 0.000 2.159 320 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 320 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 320 G C 0.137 175.175 174.900 0.230 0.000 0.977 320 G CA -0.143 45.034 45.100 0.129 0.000 0.652 320 G HN 0.650 nan 8.290 nan 0.000 0.531 321 R N 1.470 122.083 120.500 0.189 0.000 2.537 321 R HA 0.314 4.654 4.340 -0.000 0.000 0.280 321 R C -2.003 174.419 176.300 0.202 0.000 1.058 321 R CA -0.905 55.303 56.100 0.179 0.000 1.057 321 R CB 0.414 30.779 30.300 0.109 0.000 0.973 321 R HN 0.215 nan 8.270 nan 0.000 0.438 322 P HA 0.009 nan 4.420 nan 0.000 0.267 322 P C -0.774 176.446 177.300 -0.133 0.000 1.205 322 P CA 0.320 63.371 63.100 -0.082 0.000 0.765 322 P CB 0.708 32.409 31.700 0.001 0.000 0.828 323 R N 3.262 123.615 120.500 -0.245 0.000 2.368 323 R HA 0.323 4.663 4.340 -0.000 0.000 0.302 323 R C 0.668 176.903 176.300 -0.110 0.000 1.002 323 R CA -0.852 55.166 56.100 -0.137 0.000 0.929 323 R CB 1.177 31.408 30.300 -0.115 0.000 1.073 323 R HN 0.471 nan 8.270 nan 0.000 0.464 324 R N 1.233 121.710 120.500 -0.038 0.000 2.538 324 R HA 0.052 4.392 4.340 -0.000 0.000 0.282 324 R C -0.401 176.008 176.300 0.182 0.000 1.009 324 R CA 0.235 56.372 56.100 0.060 0.000 1.063 324 R CB 0.163 30.558 30.300 0.158 0.000 0.945 324 R HN 0.513 nan 8.270 nan 0.000 0.414 325 C N 1.626 120.981 119.300 0.093 0.000 2.707 325 C HA 0.899 5.359 4.460 -0.000 0.000 0.313 325 C C 0.711 175.632 174.990 -0.114 0.000 1.209 325 C CA -0.470 58.605 59.018 0.095 0.000 1.635 325 C CB 1.747 29.458 27.740 -0.048 0.000 2.206 325 C HN 1.005 nan 8.230 nan 0.000 0.485 326 G N -0.036 108.749 108.800 -0.026 0.000 2.706 326 G HA2 0.641 4.601 3.960 -0.000 0.000 0.307 326 G HA3 0.641 4.601 3.960 -0.000 0.000 0.307 326 G C -2.113 172.648 174.900 -0.232 0.000 1.307 326 G CA -0.614 44.295 45.100 -0.319 0.000 0.790 326 G HN 0.666 nan 8.290 nan 0.000 0.503 327 W N -0.571 120.862 121.300 0.222 0.000 2.359 327 W HA 0.579 5.239 4.660 -0.000 0.000 0.344 327 W C 0.344 177.092 176.519 0.381 0.000 1.170 327 W CA -0.720 56.805 57.345 0.300 0.000 1.296 327 W CB 1.161 30.777 29.460 0.260 0.000 1.197 327 W HN 0.344 nan 8.180 nan 0.000 0.618 328 L N 3.564 125.166 121.223 0.632 0.000 2.700 328 L HA -0.045 4.295 4.340 -0.000 0.000 0.272 328 L C 0.139 177.262 176.870 0.422 0.000 1.176 328 L CA 0.577 55.692 54.840 0.458 0.000 0.961 328 L CB -0.638 41.664 42.059 0.405 0.000 1.249 328 L HN 0.249 nan 8.230 nan 0.000 0.487 329 D N 5.470 126.111 120.400 0.402 0.000 2.374 329 D HA 0.034 4.673 4.640 -0.000 0.000 0.240 329 D C 1.276 177.715 176.300 0.231 0.000 1.229 329 D CA -0.265 53.962 54.000 0.378 0.000 0.895 329 D CB 0.633 41.731 40.800 0.497 0.000 1.046 329 D HN 0.475 nan 8.370 nan 0.000 0.498 330 I N 3.800 124.471 120.570 0.168 0.000 2.315 330 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 330 I C 2.346 178.477 176.117 0.025 0.000 1.117 330 I CA 0.557 61.904 61.300 0.077 0.000 1.404 330 I CB -0.687 37.343 38.000 0.050 0.000 1.071 330 I HN 0.295 nan 8.210 nan 0.000 0.419 331 V N 1.526 121.419 119.914 -0.035 0.000 2.295 331 V HA -0.228 3.891 4.120 -0.000 0.000 0.246 331 V C 2.807 178.889 176.094 -0.020 0.000 1.049 331 V CA 1.875 64.072 62.300 -0.173 0.000 1.024 331 V CB -1.152 30.224 31.823 -0.745 0.000 0.648 331 V HN 0.453 nan 8.190 nan 0.000 0.447 332 A N -0.531 122.329 122.820 0.067 0.000 2.067 332 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 332 A C 2.095 179.658 177.584 -0.035 0.000 1.158 332 A CA 1.722 53.725 52.037 -0.057 0.000 0.661 332 A CB -0.413 18.587 19.000 -0.000 0.000 0.801 332 A HN 0.455 nan 8.150 nan 0.000 0.452 333 L N -0.559 120.681 121.223 0.029 0.000 2.162 333 L HA 0.057 4.396 4.340 -0.000 0.000 0.205 333 L C 1.998 178.895 176.870 0.044 0.000 1.086 333 L CA 1.811 56.667 54.840 0.026 0.000 0.778 333 L CB -0.438 41.641 42.059 0.033 0.000 0.928 333 L HN 0.250 nan 8.230 nan 0.000 0.446 334 K N -1.250 119.179 120.400 0.048 0.000 2.148 334 K HA -0.160 4.159 4.320 -0.000 0.000 0.204 334 K C 2.045 178.673 176.600 0.047 0.000 1.050 334 K CA 1.444 57.753 56.287 0.037 0.000 0.942 334 K CB -0.334 32.179 32.500 0.022 0.000 0.724 334 K HN 0.278 nan 8.250 nan 0.000 0.446 335 F N 2.409 122.310 119.950 -0.080 0.000 2.051 335 F HA -0.275 4.252 4.527 -0.000 0.000 0.296 335 F C 2.510 178.222 175.800 -0.147 0.000 1.122 335 F CA 2.088 60.028 58.000 -0.100 0.000 1.201 335 F CB -0.626 38.309 39.000 -0.109 0.000 0.978 335 F HN 0.006 nan 8.300 nan 0.000 0.472 336 S N -0.738 114.916 115.700 -0.077 0.000 2.419 336 S HA -0.246 4.223 4.470 -0.000 0.000 0.235 336 S C 2.185 176.696 174.600 -0.148 0.000 1.019 336 S CA 1.298 59.404 58.200 -0.157 0.000 0.982 336 S CB -1.743 61.474 63.200 0.029 0.000 0.789 336 S HN 0.526 nan 8.310 nan 0.000 0.490 337 C N 2.468 121.750 119.300 -0.029 0.000 2.440 337 C HA -0.037 4.423 4.460 -0.000 0.000 0.278 337 C C 3.122 177.980 174.990 -0.220 0.000 1.295 337 C CA 0.956 59.981 59.018 0.011 0.000 1.738 337 C CB -1.214 26.571 27.740 0.075 0.000 1.987 337 C HN 0.867 nan 8.230 nan 0.000 0.492 338 Q N 0.077 119.714 119.800 -0.272 0.000 2.163 338 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 338 Q C 1.997 177.726 176.000 -0.451 0.000 0.954 338 Q CA 1.227 56.845 55.803 -0.307 0.000 0.851 338 Q CB -0.325 28.264 28.738 -0.249 0.000 0.928 338 Q HN 0.417 nan 8.270 nan 0.000 0.459 339 I N 2.341 122.528 120.570 -0.638 0.000 2.226 339 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 339 I C 1.481 177.219 176.117 -0.632 0.000 1.100 339 I CA 1.264 62.098 61.300 -0.777 0.000 1.374 339 I CB -0.926 36.472 38.000 -1.004 0.000 1.057 339 I HN 0.395 nan 8.210 nan 0.000 0.413 340 N N 0.179 118.459 118.700 -0.700 0.000 2.322 340 N HA 0.047 4.787 4.740 -0.000 0.000 0.181 340 N C 1.232 176.327 175.510 -0.692 0.000 1.088 340 N CA 0.889 53.461 53.050 -0.797 0.000 0.885 340 N CB 0.582 38.245 38.487 -1.373 0.000 1.013 340 N HN 0.366 nan 8.380 nan 0.000 0.472 341 G N 1.908 110.368 108.800 -0.567 0.000 2.333 341 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.296 341 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.296 341 G C -0.352 174.417 174.900 -0.218 0.000 1.059 341 G CA -0.255 44.657 45.100 -0.313 0.000 1.050 341 G HN 0.158 nan 8.290 nan 0.000 0.508 342 F N -0.440 119.466 119.950 -0.073 0.000 2.572 342 F HA 0.398 4.925 4.527 -0.000 0.000 0.370 342 F C 1.630 177.422 175.800 -0.014 0.000 1.103 342 F CA 0.290 58.265 58.000 -0.041 0.000 1.286 342 F CB 0.729 39.703 39.000 -0.043 0.000 1.105 342 F HN 0.241 nan 8.300 nan 0.000 0.583 343 A N 1.863 124.822 122.820 0.232 0.000 1.943 343 A HA 0.229 4.548 4.320 -0.000 0.000 0.213 343 A C 0.728 178.423 177.584 0.185 0.000 1.181 343 A CA 0.809 52.942 52.037 0.159 0.000 0.653 343 A CB -0.119 18.961 19.000 0.133 0.000 0.833 343 A HN 0.580 nan 8.150 nan 0.000 0.451 344 S N -1.967 113.858 115.700 0.208 0.000 2.651 344 S HA 0.756 5.225 4.470 -0.000 0.000 0.279 344 S C -1.085 173.558 174.600 0.072 0.000 1.148 344 S CA -0.561 57.766 58.200 0.211 0.000 0.837 344 S CB 1.522 64.996 63.200 0.457 0.000 1.138 344 S HN 0.262 nan 8.310 nan 0.000 0.478 345 L N 1.554 122.792 121.223 0.026 0.000 2.388 345 L HA 0.584 4.924 4.340 -0.000 0.000 0.264 345 L C -0.411 176.479 176.870 0.034 0.000 0.998 345 L CA -0.564 54.231 54.840 -0.075 0.000 0.817 345 L CB 1.887 43.874 42.059 -0.120 0.000 1.338 345 L HN 0.665 nan 8.230 nan 0.000 0.414 346 N N 2.754 121.440 118.700 -0.023 0.000 2.706 346 N HA 0.213 4.953 4.740 -0.000 0.000 0.240 346 N C -1.102 174.399 175.510 -0.015 0.000 1.039 346 N CA -0.535 52.536 53.050 0.036 0.000 0.888 346 N CB 1.049 39.510 38.487 -0.042 0.000 1.128 346 N HN 0.500 nan 8.380 nan 0.000 0.512 347 L N 4.811 126.043 121.223 0.014 0.000 2.433 347 L HA 0.141 4.481 4.340 -0.000 0.000 0.284 347 L C 0.466 177.372 176.870 0.059 0.000 1.120 347 L CA 0.455 55.315 54.840 0.034 0.000 0.879 347 L CB -0.264 41.830 42.059 0.058 0.000 1.232 347 L HN 0.609 nan 8.230 nan 0.000 0.454 348 T N 1.556 116.133 114.554 0.039 0.000 2.881 348 T HA 0.307 4.656 4.350 -0.000 0.000 0.278 348 T C 0.587 175.352 174.700 0.109 0.000 0.982 348 T CA -0.729 61.401 62.100 0.049 0.000 0.989 348 T CB 1.152 70.018 68.868 -0.003 0.000 1.058 348 T HN 0.598 nan 8.240 nan 0.000 0.529 349 K N -0.102 120.377 120.400 0.132 0.000 3.035 349 K HA -0.166 4.154 4.320 -0.000 0.000 0.262 349 K C 0.658 177.433 176.600 0.291 0.000 1.024 349 K CA 0.390 56.807 56.287 0.217 0.000 0.748 349 K CB -1.460 31.206 32.500 0.277 0.000 1.247 349 K HN 0.536 nan 8.250 nan 0.000 0.482 350 L N 1.633 123.008 121.223 0.254 0.000 2.093 350 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 350 L C 2.131 179.225 176.870 0.374 0.000 1.085 350 L CA 2.453 57.486 54.840 0.323 0.000 0.755 350 L CB -0.212 41.990 42.059 0.238 0.000 0.904 350 L HN 0.383 nan 8.230 nan 0.000 0.435 351 D N -1.199 119.365 120.400 0.273 0.000 2.263 351 D HA -0.168 4.471 4.640 -0.000 0.000 0.208 351 D C 1.940 178.335 176.300 0.158 0.000 0.971 351 D CA 1.299 55.447 54.000 0.247 0.000 0.867 351 D CB -0.849 40.049 40.800 0.163 0.000 0.929 351 D HN 0.309 nan 8.370 nan 0.000 0.492 352 V N 0.773 120.767 119.914 0.134 0.000 2.594 352 V HA -0.161 3.959 4.120 -0.000 0.000 0.253 352 V C 2.342 178.366 176.094 -0.117 0.000 1.069 352 V CA 1.032 63.334 62.300 0.003 0.000 1.082 352 V CB -0.538 31.282 31.823 -0.005 0.000 0.680 352 V HN 0.266 nan 8.190 nan 0.000 0.469 353 L N -0.529 120.647 121.223 -0.078 0.000 2.627 353 L HA 0.105 4.445 4.340 -0.000 0.000 0.232 353 L C 2.090 178.563 176.870 -0.662 0.000 1.150 353 L CA 0.111 54.769 54.840 -0.303 0.000 0.917 353 L CB -0.438 41.476 42.059 -0.241 0.000 1.104 353 L HN 0.186 nan 8.230 nan 0.000 0.445 354 S N -0.044 115.418 115.700 -0.397 0.000 2.447 354 S HA -0.157 4.313 4.470 -0.000 0.000 0.233 354 S C 1.342 175.672 174.600 -0.450 0.000 1.006 354 S CA 1.216 59.119 58.200 -0.494 0.000 0.957 354 S CB -0.084 63.095 63.200 -0.036 0.000 0.773 354 S HN 0.434 nan 8.310 nan 0.000 0.507 355 D N 0.353 120.562 120.400 -0.319 0.000 2.363 355 D HA 0.207 4.847 4.640 -0.000 0.000 0.214 355 D C -0.254 175.902 176.300 -0.241 0.000 1.093 355 D CA -0.038 53.823 54.000 -0.231 0.000 0.837 355 D CB 0.119 40.829 40.800 -0.149 0.000 0.948 355 D HN 0.234 nan 8.370 nan 0.000 0.507 356 L N 1.617 122.639 121.223 -0.334 0.000 2.305 356 L HA 0.247 4.587 4.340 -0.000 0.000 0.281 356 L C 1.631 178.351 176.870 -0.251 0.000 1.085 356 L CA -0.606 54.083 54.840 -0.252 0.000 0.813 356 L CB 1.236 43.159 42.059 -0.226 0.000 1.157 356 L HN 0.075 nan 8.230 nan 0.000 0.436 357 N N 2.678 121.285 118.700 -0.156 0.000 2.080 357 N HA -0.094 4.646 4.740 -0.000 0.000 0.189 357 N C -0.028 175.407 175.510 -0.125 0.000 1.036 357 N CA 1.029 54.003 53.050 -0.126 0.000 0.846 357 N CB 0.141 38.575 38.487 -0.087 0.000 1.015 357 N HN 0.602 nan 8.380 nan 0.000 0.423 358 E N 0.063 120.188 120.200 -0.124 0.000 2.272 358 E HA 0.501 4.851 4.350 -0.000 0.000 0.269 358 E C -0.827 175.656 176.600 -0.195 0.000 0.877 358 E CA -0.534 55.784 56.400 -0.137 0.000 0.755 358 E CB 2.685 32.307 29.700 -0.129 0.000 1.192 358 E HN 0.114 nan 8.360 nan 0.000 0.422 359 I N 2.203 122.655 120.570 -0.197 0.000 2.437 359 I HA 0.232 4.402 4.170 -0.000 0.000 0.298 359 I C 0.138 176.031 176.117 -0.373 0.000 0.984 359 I CA -0.601 60.550 61.300 -0.248 0.000 1.214 359 I CB 1.337 39.241 38.000 -0.160 0.000 1.365 359 I HN 0.283 nan 8.210 nan 0.000 0.469 360 Q N 5.438 124.743 119.800 -0.825 0.000 2.301 360 Q HA 0.713 5.053 4.340 -0.000 0.000 0.267 360 Q C -1.298 174.671 176.000 -0.052 0.000 1.035 360 Q CA -0.924 54.474 55.803 -0.675 0.000 0.856 360 Q CB 3.169 31.014 28.738 -1.489 0.000 1.337 360 Q HN 0.492 nan 8.270 nan 0.000 0.450 361 L N 0.111 121.445 121.223 0.185 0.000 2.386 361 L HA 0.492 4.832 4.340 -0.000 0.000 0.271 361 L C 0.273 177.370 176.870 0.378 0.000 0.993 361 L CA -0.866 54.175 54.840 0.336 0.000 0.819 361 L CB 1.999 44.191 42.059 0.222 0.000 1.294 361 L HN 0.794 nan 8.230 nan 0.000 0.414 362 G N 2.045 111.064 108.800 0.364 0.000 2.985 362 G HA2 0.313 4.273 3.960 -0.000 0.000 0.282 362 G HA3 0.313 4.273 3.960 -0.000 0.000 0.282 362 G C 0.805 175.757 174.900 0.086 0.000 0.791 362 G CA -0.296 44.897 45.100 0.154 0.000 1.934 362 G HN 0.455 nan 8.290 nan 0.000 0.563 363 V N 0.894 120.826 119.914 0.030 0.000 2.515 363 V HA 0.207 4.327 4.120 -0.000 0.000 0.250 363 V C 1.616 177.697 176.094 -0.021 0.000 1.058 363 V CA 2.024 64.333 62.300 0.015 0.000 1.064 363 V CB -0.714 31.124 31.823 0.024 0.000 0.675 363 V HN 0.824 nan 8.190 nan 0.000 0.461 364 A N -2.249 120.562 122.820 -0.015 0.000 2.610 364 A HA 0.750 5.070 4.320 -0.000 0.000 0.291 364 A C -1.897 175.786 177.584 0.164 0.000 1.086 364 A CA -0.496 51.536 52.037 -0.008 0.000 0.677 364 A CB 1.263 20.258 19.000 -0.009 0.000 1.278 364 A HN 0.008 nan 8.150 nan 0.000 0.414 365 Y N 0.583 120.829 120.300 -0.090 0.000 2.468 365 Y HA 0.703 5.252 4.550 -0.000 0.000 0.342 365 Y C 0.164 175.941 175.900 -0.204 0.000 1.021 365 Y CA -1.468 56.542 58.100 -0.150 0.000 1.079 365 Y CB 2.037 40.434 38.460 -0.105 0.000 1.226 365 Y HN 0.619 nan 8.280 nan 0.000 0.460 366 K N 2.378 122.635 120.400 -0.238 0.000 2.525 366 K HA 0.451 4.770 4.320 -0.000 0.000 0.254 366 K C -0.563 175.785 176.600 -0.421 0.000 0.934 366 K CA -1.015 55.087 56.287 -0.309 0.000 0.802 366 K CB 3.176 35.497 32.500 -0.298 0.000 1.295 366 K HN 0.591 nan 8.250 nan 0.000 0.433 367 R N 0.220 120.627 120.500 -0.155 0.000 2.822 367 R HA 0.092 4.432 4.340 -0.000 0.000 0.277 367 R C 1.214 177.544 176.300 0.049 0.000 1.102 367 R CA 0.063 56.122 56.100 -0.069 0.000 1.207 367 R CB 0.354 30.641 30.300 -0.022 0.000 1.139 367 R HN 0.643 nan 8.270 nan 0.000 0.557 368 S N 1.188 116.932 115.700 0.073 0.000 2.353 368 S HA -0.192 4.277 4.470 -0.000 0.000 0.222 368 S C 1.396 176.055 174.600 0.099 0.000 1.035 368 S CA 1.927 60.196 58.200 0.114 0.000 1.025 368 S CB -0.340 62.893 63.200 0.054 0.000 0.902 368 S HN 0.818 nan 8.310 nan 0.000 0.440 369 D N 0.124 120.559 120.400 0.058 0.000 2.310 369 D HA 0.006 4.646 4.640 -0.000 0.000 0.212 369 D C 1.415 177.748 176.300 0.055 0.000 0.965 369 D CA 1.147 55.173 54.000 0.044 0.000 0.879 369 D CB -0.178 40.637 40.800 0.026 0.000 0.921 369 D HN 0.555 nan 8.370 nan 0.000 0.510 370 G N 0.642 109.488 108.800 0.076 0.000 2.352 370 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.204 370 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.204 370 G C 0.593 175.516 174.900 0.038 0.000 1.004 370 G CA 0.213 45.359 45.100 0.077 0.000 0.648 370 G HN 0.643 nan 8.290 nan 0.000 0.491 371 T N 1.823 116.390 114.554 0.021 0.000 2.831 371 T HA 0.481 4.831 4.350 -0.000 0.000 0.291 371 T C -2.158 172.539 174.700 -0.004 0.000 0.981 371 T CA -0.582 61.523 62.100 0.009 0.000 1.174 371 T CB 1.265 70.137 68.868 0.006 0.000 0.929 371 T HN 0.210 nan 8.240 nan 0.000 0.532 372 P HA 0.188 nan 4.420 nan 0.000 0.268 372 P C -0.415 176.885 177.300 0.000 0.000 1.205 372 P CA -0.487 62.610 63.100 -0.006 0.000 0.771 372 P CB 0.456 32.157 31.700 0.001 0.000 0.858 373 V N 5.117 125.040 119.914 0.015 0.000 2.461 373 V HA 0.023 4.143 4.120 -0.000 0.000 0.275 373 V C 1.690 177.793 176.094 0.016 0.000 1.047 373 V CA -0.239 62.080 62.300 0.033 0.000 0.955 373 V CB 0.759 32.646 31.823 0.106 0.000 0.988 373 V HN 0.663 nan 8.190 nan 0.000 0.471 374 K N 4.099 124.506 120.400 0.011 0.000 1.970 374 K HA -0.069 4.251 4.320 -0.000 0.000 0.225 374 K C 0.611 177.215 176.600 0.006 0.000 1.045 374 K CA 1.205 57.497 56.287 0.008 0.000 1.002 374 K CB -0.489 32.022 32.500 0.017 0.000 0.743 374 K HN 0.525 nan 8.250 nan 0.000 0.445 375 S N -0.369 115.350 115.700 0.031 0.000 2.715 375 S HA 0.413 4.883 4.470 -0.000 0.000 0.307 375 S C -0.871 173.762 174.600 0.055 0.000 1.119 375 S CA -0.873 57.368 58.200 0.069 0.000 0.937 375 S CB 0.857 64.149 63.200 0.153 0.000 1.150 375 S HN 0.326 nan 8.310 nan 0.000 0.521 376 F N 5.323 125.211 119.950 -0.103 0.000 2.569 376 F HA 0.175 4.702 4.527 -0.000 0.000 0.395 376 F C -1.847 173.840 175.800 -0.189 0.000 1.028 376 F CA -1.258 56.609 58.000 -0.222 0.000 1.158 376 F CB 0.216 38.829 39.000 -0.646 0.000 1.023 376 F HN 0.199 nan 8.300 nan 0.000 0.547 377 P HA 0.194 nan 4.420 nan 0.000 0.277 377 P C 0.130 177.195 177.300 -0.391 0.000 1.240 377 P CA -0.268 62.626 63.100 -0.344 0.000 0.798 377 P CB 1.548 33.099 31.700 -0.248 0.000 0.979 378 G N 1.019 109.752 108.800 -0.112 0.000 2.539 378 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.215 378 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.215 378 G C 0.359 175.263 174.900 0.007 0.000 1.141 378 G CA 0.149 45.251 45.100 0.003 0.000 0.806 378 G HN 0.540 nan 8.290 nan 0.000 0.533 379 D N 0.599 120.981 120.400 -0.029 0.000 2.363 379 D HA 0.051 4.691 4.640 -0.000 0.000 0.263 379 D C 1.653 177.945 176.300 -0.014 0.000 1.258 379 D CA -0.277 53.720 54.000 -0.004 0.000 0.907 379 D CB 0.796 41.586 40.800 -0.016 0.000 1.107 379 D HN 0.046 nan 8.370 nan 0.000 0.495 380 L N 4.340 125.591 121.223 0.047 0.000 2.079 380 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 380 L C 2.215 179.096 176.870 0.018 0.000 1.081 380 L CA 1.301 56.179 54.840 0.063 0.000 0.752 380 L CB -0.101 42.042 42.059 0.140 0.000 0.896 380 L HN 0.346 nan 8.230 nan 0.000 0.433 381 R N -0.041 120.468 120.500 0.016 0.000 2.080 381 R HA -0.220 4.120 4.340 -0.000 0.000 0.236 381 R C 2.142 178.424 176.300 -0.031 0.000 1.137 381 R CA 2.181 58.281 56.100 -0.000 0.000 0.943 381 R CB -1.002 29.302 30.300 0.008 0.000 0.846 381 R HN 0.448 nan 8.270 nan 0.000 0.431 382 L N -0.005 121.191 121.223 -0.046 0.000 2.131 382 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 382 L C 1.752 178.548 176.870 -0.123 0.000 1.092 382 L CA 1.570 56.366 54.840 -0.074 0.000 0.759 382 L CB -0.555 41.459 42.059 -0.076 0.000 0.903 382 L HN 0.307 nan 8.230 nan 0.000 0.435 383 L N -0.646 120.496 121.223 -0.135 0.000 2.291 383 L HA -0.051 4.289 4.340 -0.000 0.000 0.214 383 L C 2.134 178.923 176.870 -0.136 0.000 1.120 383 L CA 1.479 56.210 54.840 -0.182 0.000 0.799 383 L CB -0.508 41.458 42.059 -0.156 0.000 0.925 383 L HN 0.412 nan 8.230 nan 0.000 0.446 384 E N -1.689 118.460 120.200 -0.085 0.000 2.476 384 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 384 E C 1.286 177.851 176.600 -0.058 0.000 1.021 384 E CA 0.057 56.417 56.400 -0.066 0.000 0.907 384 E CB 0.551 30.225 29.700 -0.043 0.000 0.974 384 E HN 0.378 nan 8.360 nan 0.000 0.489 385 E N 0.683 120.845 120.200 -0.064 0.000 2.132 385 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 385 E C 0.990 177.569 176.600 -0.034 0.000 0.951 385 E CA -0.046 56.331 56.400 -0.037 0.000 0.843 385 E CB 0.268 29.952 29.700 -0.028 0.000 0.807 385 E HN 0.140 nan 8.360 nan 0.000 0.467 386 L N 1.360 122.522 121.223 -0.101 0.000 2.472 386 L HA 0.191 4.531 4.340 -0.000 0.000 0.273 386 L C 0.114 176.906 176.870 -0.130 0.000 1.254 386 L CA -0.283 54.460 54.840 -0.161 0.000 0.823 386 L CB 0.233 42.124 42.059 -0.280 0.000 1.096 386 L HN 0.187 nan 8.230 nan 0.000 0.521 387 H N -0.652 118.342 119.070 -0.127 0.000 2.747 387 H HA 0.642 5.198 4.556 -0.000 0.000 0.371 387 H C -1.086 174.171 175.328 -0.117 0.000 1.161 387 H CA -1.054 54.930 56.048 -0.107 0.000 1.167 387 H CB 1.532 31.265 29.762 -0.048 0.000 1.732 387 H HN 0.525 nan 8.280 nan 0.000 0.544 388 V N 1.502 121.386 119.914 -0.049 0.000 2.539 388 V HA 0.150 4.270 4.120 -0.000 0.000 0.292 388 V C 0.374 176.319 176.094 -0.248 0.000 1.045 388 V CA -0.675 61.511 62.300 -0.190 0.000 0.945 388 V CB 1.395 32.969 31.823 -0.414 0.000 0.993 388 V HN 0.745 nan 8.190 nan 0.000 0.464 389 E N 3.183 123.266 120.200 -0.196 0.000 2.055 389 E HA 0.358 4.707 4.350 -0.000 0.000 0.274 389 E C -1.387 175.102 176.600 -0.185 0.000 0.949 389 E CA -0.324 56.014 56.400 -0.103 0.000 0.775 389 E CB 1.018 30.721 29.700 0.004 0.000 1.097 389 E HN 0.595 nan 8.360 nan 0.000 0.404 390 Y N 1.328 121.659 120.300 0.051 0.000 2.298 390 Y HA 0.212 4.762 4.550 -0.000 0.000 0.329 390 Y C 0.701 176.593 175.900 -0.013 0.000 1.293 390 Y CA -0.299 57.802 58.100 0.002 0.000 1.388 390 Y CB 0.815 39.228 38.460 -0.078 0.000 1.309 390 Y HN 0.432 nan 8.280 nan 0.000 0.544 391 E N 1.004 121.304 120.200 0.167 0.000 2.256 391 E HA 0.542 4.892 4.350 -0.000 0.000 0.268 391 E C -1.834 174.790 176.600 0.041 0.000 0.877 391 E CA -0.953 55.498 56.400 0.084 0.000 0.757 391 E CB 1.682 31.429 29.700 0.080 0.000 1.183 391 E HN 0.497 nan 8.360 nan 0.000 0.418 392 V N 3.016 122.931 119.914 0.001 0.000 2.370 392 V HA 0.567 4.686 4.120 -0.000 0.000 0.283 392 V C -0.465 175.629 176.094 0.001 0.000 1.023 392 V CA -0.707 61.562 62.300 -0.052 0.000 0.857 392 V CB 0.759 32.525 31.823 -0.094 0.000 0.985 392 V HN 0.548 nan 8.190 nan 0.000 0.443 393 L N 6.516 127.755 121.223 0.026 0.000 2.325 393 L HA 0.600 4.939 4.340 -0.000 0.000 0.278 393 L C -2.195 174.703 176.870 0.047 0.000 1.023 393 L CA -2.023 52.869 54.840 0.087 0.000 0.811 393 L CB 2.590 44.784 42.059 0.224 0.000 1.249 393 L HN 0.444 nan 8.230 nan 0.000 0.431 394 P HA 0.064 nan 4.420 nan 0.000 0.271 394 P C -0.195 177.154 177.300 0.082 0.000 1.233 394 P CA -0.031 63.097 63.100 0.046 0.000 0.764 394 P CB 0.899 32.634 31.700 0.058 0.000 0.825 395 G N 3.615 112.409 108.800 -0.010 0.000 2.420 395 G HA2 0.408 4.367 3.960 -0.000 0.000 0.284 395 G HA3 0.408 4.367 3.960 -0.000 0.000 0.284 395 G C -0.744 174.145 174.900 -0.019 0.000 1.177 395 G CA -0.936 44.108 45.100 -0.094 0.000 0.841 395 G HN 0.615 nan 8.290 nan 0.000 0.527 396 W N 0.444 121.714 121.300 -0.050 0.000 2.313 396 W HA 0.686 5.346 4.660 -0.000 0.000 0.328 396 W C -0.169 176.328 176.519 -0.036 0.000 1.197 396 W CA -1.251 56.072 57.345 -0.036 0.000 1.235 396 W CB 1.131 30.570 29.460 -0.034 0.000 1.158 396 W HN 0.269 nan 8.180 nan 0.000 0.578 397 K N 3.563 123.926 120.400 -0.062 0.000 2.800 397 K HA 0.301 4.620 4.320 -0.000 0.000 0.185 397 K C -0.908 175.687 176.600 -0.009 0.000 1.082 397 K CA -0.366 55.833 56.287 -0.146 0.000 0.978 397 K CB 0.519 32.949 32.500 -0.116 0.000 1.364 397 K HN 0.564 nan 8.250 nan 0.000 0.592 398 S N -0.649 115.108 115.700 0.095 0.000 2.536 398 S HA 0.224 4.694 4.470 -0.000 0.000 0.271 398 S C -0.999 173.710 174.600 0.182 0.000 1.134 398 S CA -1.108 57.177 58.200 0.141 0.000 0.897 398 S CB 1.952 65.252 63.200 0.166 0.000 1.094 398 S HN 0.321 nan 8.310 nan 0.000 0.473 399 D N 1.392 121.857 120.400 0.107 0.000 2.458 399 D HA 0.143 4.783 4.640 -0.000 0.000 0.243 399 D C 0.685 177.058 176.300 0.121 0.000 1.146 399 D CA -0.030 54.032 54.000 0.103 0.000 0.877 399 D CB 0.461 41.296 40.800 0.058 0.000 1.176 399 D HN 0.735 nan 8.370 nan 0.000 0.461 400 I N 0.524 121.178 120.570 0.141 0.000 4.338 400 I HA 0.057 4.227 4.170 -0.000 0.000 0.329 400 I C 1.347 177.508 176.117 0.073 0.000 1.378 400 I CA -0.499 60.861 61.300 0.099 0.000 1.170 400 I CB 0.186 38.247 38.000 0.101 0.000 1.206 400 I HN 0.155 nan 8.210 nan 0.000 0.432 401 S N -0.004 115.742 115.700 0.077 0.000 2.653 401 S HA 0.088 4.558 4.470 -0.000 0.000 0.233 401 S C 1.208 175.836 174.600 0.047 0.000 0.970 401 S CA 0.756 58.993 58.200 0.062 0.000 0.947 401 S CB -0.482 62.750 63.200 0.054 0.000 0.771 401 S HN 0.487 nan 8.310 nan 0.000 0.538 402 S N 0.006 115.731 115.700 0.042 0.000 2.632 402 S HA 0.289 4.759 4.470 -0.000 0.000 0.237 402 S C 0.195 174.816 174.600 0.034 0.000 1.037 402 S CA -0.400 57.822 58.200 0.036 0.000 1.009 402 S CB 0.586 63.804 63.200 0.030 0.000 0.974 402 S HN 0.391 nan 8.310 nan 0.000 0.544 403 V N 3.812 123.743 119.914 0.028 0.000 2.479 403 V HA 0.198 4.317 4.120 -0.000 0.000 0.281 403 V C 1.212 177.329 176.094 0.040 0.000 1.031 403 V CA 0.194 62.504 62.300 0.017 0.000 1.038 403 V CB 0.584 32.397 31.823 -0.017 0.000 0.981 403 V HN 0.283 nan 8.190 nan 0.000 0.478 404 R N 2.740 123.269 120.500 0.049 0.000 2.123 404 R HA 0.189 4.529 4.340 -0.000 0.000 0.209 404 R C 0.508 176.869 176.300 0.101 0.000 1.078 404 R CA 0.270 56.419 56.100 0.082 0.000 1.028 404 R CB -0.086 30.261 30.300 0.077 0.000 0.939 404 R HN 0.616 nan 8.270 nan 0.000 0.463 405 N N -0.034 118.711 118.700 0.074 0.000 2.434 405 N HA 0.035 4.775 4.740 -0.000 0.000 0.266 405 N C 0.396 175.964 175.510 0.097 0.000 1.223 405 N CA -0.213 52.893 53.050 0.094 0.000 0.972 405 N CB 0.517 39.043 38.487 0.065 0.000 1.207 405 N HN -0.075 nan 8.380 nan 0.000 0.525 406 Y N 0.705 121.010 120.300 0.010 0.000 2.153 406 Y HA -0.100 4.450 4.550 -0.000 0.000 0.289 406 Y C 2.145 178.027 175.900 -0.031 0.000 1.119 406 Y CA 1.780 59.871 58.100 -0.015 0.000 1.116 406 Y CB -0.535 37.916 38.460 -0.014 0.000 1.004 406 Y HN 0.623 nan 8.280 nan 0.000 0.501 407 S N -0.546 115.141 115.700 -0.023 0.000 2.500 407 S HA -0.157 4.312 4.470 -0.000 0.000 0.239 407 S C 1.239 175.757 174.600 -0.137 0.000 0.989 407 S CA 1.290 59.427 58.200 -0.106 0.000 0.951 407 S CB -0.390 62.821 63.200 0.018 0.000 0.759 407 S HN 0.481 nan 8.310 nan 0.000 0.523 408 D N 1.122 121.453 120.400 -0.115 0.000 2.347 408 D HA 0.208 4.848 4.640 -0.000 0.000 0.215 408 D C 0.523 176.736 176.300 -0.146 0.000 0.976 408 D CA 0.138 54.082 54.000 -0.093 0.000 0.884 408 D CB -0.135 40.638 40.800 -0.045 0.000 0.915 408 D HN 0.419 nan 8.370 nan 0.000 0.526 409 L N 1.492 122.564 121.223 -0.253 0.000 2.439 409 L HA 0.155 4.495 4.340 -0.000 0.000 0.269 409 L C -1.949 174.740 176.870 -0.303 0.000 1.179 409 L CA -1.565 53.082 54.840 -0.322 0.000 0.828 409 L CB 0.242 42.008 42.059 -0.487 0.000 1.106 409 L HN -0.267 nan 8.230 nan 0.000 0.467 410 P HA -0.026 nan 4.420 nan 0.000 0.266 410 P C -0.045 177.124 177.300 -0.219 0.000 1.195 410 P CA -0.114 62.866 63.100 -0.201 0.000 0.768 410 P CB 0.627 32.223 31.700 -0.173 0.000 0.838 411 K N 3.768 124.102 120.400 -0.110 0.000 2.103 411 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 411 K C 1.821 178.389 176.600 -0.053 0.000 1.048 411 K CA 2.069 58.306 56.287 -0.083 0.000 0.930 411 K CB -1.065 31.416 32.500 -0.030 0.000 0.716 411 K HN 0.457 nan 8.250 nan 0.000 0.444 412 A N 0.177 123.002 122.820 0.009 0.000 1.933 412 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 412 A C 2.321 179.935 177.584 0.050 0.000 1.175 412 A CA 1.987 54.092 52.037 0.113 0.000 0.628 412 A CB -0.898 18.264 19.000 0.270 0.000 0.814 412 A HN 0.402 nan 8.150 nan 0.000 0.444 413 A N -0.659 121.970 122.820 -0.317 0.000 1.873 413 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 413 A C 2.117 179.523 177.584 -0.297 0.000 1.186 413 A CA 1.512 53.086 52.037 -0.771 0.000 0.616 413 A CB -0.616 17.503 19.000 -1.468 0.000 0.823 413 A HN 0.625 nan 8.150 nan 0.000 0.442 414 Q N -0.455 119.180 119.800 -0.275 0.000 2.077 414 Q HA -0.284 4.056 4.340 -0.000 0.000 0.206 414 Q C 2.303 178.325 176.000 0.036 0.000 0.989 414 Q CA 1.945 57.657 55.803 -0.153 0.000 0.853 414 Q CB -0.318 28.287 28.738 -0.221 0.000 0.907 414 Q HN 0.764 nan 8.270 nan 0.000 0.418 415 Q N -0.565 119.259 119.800 0.039 0.000 2.181 415 Q HA -0.217 4.123 4.340 -0.000 0.000 0.205 415 Q C 1.826 177.916 176.000 0.150 0.000 0.980 415 Q CA 1.390 57.248 55.803 0.091 0.000 0.862 415 Q CB -0.223 28.570 28.738 0.091 0.000 0.905 415 Q HN 0.406 nan 8.270 nan 0.000 0.429 416 Y N 0.859 121.190 120.300 0.052 0.000 2.163 416 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 416 Y C 2.119 178.068 175.900 0.082 0.000 1.136 416 Y CA 1.131 59.292 58.100 0.102 0.000 1.147 416 Y CB -0.347 38.219 38.460 0.177 0.000 0.987 416 Y HN -0.170 nan 8.280 nan 0.000 0.509 417 V N 0.779 120.766 119.914 0.123 0.000 2.233 417 V HA -0.346 3.774 4.120 -0.000 0.000 0.247 417 V C 2.145 178.227 176.094 -0.021 0.000 1.050 417 V CA 2.470 64.790 62.300 0.035 0.000 1.010 417 V CB -0.725 31.181 31.823 0.139 0.000 0.637 417 V HN 0.430 nan 8.190 nan 0.000 0.444 418 E N -0.412 119.808 120.200 0.033 0.000 2.209 418 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 418 E C 2.341 178.927 176.600 -0.024 0.000 0.993 418 E CA 1.151 57.555 56.400 0.007 0.000 0.819 418 E CB -0.168 29.559 29.700 0.044 0.000 0.745 418 E HN 0.313 nan 8.360 nan 0.000 0.477 419 R N 1.164 121.644 120.500 -0.033 0.000 2.073 419 R HA -0.027 4.312 4.340 -0.000 0.000 0.229 419 R C 1.922 178.169 176.300 -0.089 0.000 1.120 419 R CA 1.051 57.123 56.100 -0.046 0.000 0.967 419 R CB -0.343 29.942 30.300 -0.024 0.000 0.862 419 R HN 0.157 nan 8.270 nan 0.000 0.436 420 I N 0.528 121.002 120.570 -0.161 0.000 2.286 420 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 420 I C 1.847 177.909 176.117 -0.091 0.000 1.115 420 I CA 1.582 62.791 61.300 -0.151 0.000 1.392 420 I CB -0.320 37.556 38.000 -0.207 0.000 1.065 420 I HN 0.272 nan 8.210 nan 0.000 0.418 421 E N 0.483 120.631 120.200 -0.087 0.000 2.106 421 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 421 E C 2.009 178.576 176.600 -0.056 0.000 0.984 421 E CA 1.086 57.440 56.400 -0.077 0.000 0.806 421 E CB -0.064 29.581 29.700 -0.092 0.000 0.750 421 E HN 0.340 nan 8.360 nan 0.000 0.458 422 E N 1.126 121.298 120.200 -0.047 0.000 2.106 422 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 422 E C 1.904 178.488 176.600 -0.027 0.000 0.984 422 E CA 0.886 57.267 56.400 -0.032 0.000 0.806 422 E CB -0.060 29.627 29.700 -0.021 0.000 0.750 422 E HN 0.193 nan 8.360 nan 0.000 0.458 423 L N -0.880 120.325 121.223 -0.030 0.000 2.095 423 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 423 L C 2.290 179.148 176.870 -0.021 0.000 1.080 423 L CA 0.605 55.432 54.840 -0.022 0.000 0.759 423 L CB -0.186 41.861 42.059 -0.020 0.000 0.914 423 L HN 0.051 nan 8.230 nan 0.000 0.439 424 V N -0.594 119.304 119.914 -0.026 0.000 2.649 424 V HA 0.084 4.203 4.120 -0.000 0.000 0.248 424 V C 1.845 177.928 176.094 -0.017 0.000 1.054 424 V CA 1.458 63.747 62.300 -0.018 0.000 1.073 424 V CB -0.071 31.741 31.823 -0.019 0.000 0.699 424 V HN 0.700 nan 8.190 nan 0.000 0.463 425 G N -0.147 108.638 108.800 -0.026 0.000 2.268 425 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.240 425 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.240 425 G C 0.294 175.179 174.900 -0.026 0.000 1.010 425 G CA 0.153 45.238 45.100 -0.025 0.000 0.618 425 G HN 0.476 nan 8.290 nan 0.000 0.516 426 V N 3.908 123.809 119.914 -0.022 0.000 2.407 426 V HA 0.525 4.645 4.120 -0.000 0.000 0.278 426 V C -1.137 174.915 176.094 -0.069 0.000 1.037 426 V CA -1.383 60.907 62.300 -0.018 0.000 0.900 426 V CB 1.488 33.328 31.823 0.030 0.000 0.983 426 V HN 0.296 nan 8.190 nan 0.000 0.459 427 P HA 0.307 nan 4.420 nan 0.000 0.272 427 P C -0.757 176.356 177.300 -0.312 0.000 1.230 427 P CA -0.172 62.782 63.100 -0.244 0.000 0.788 427 P CB 1.299 32.800 31.700 -0.331 0.000 0.949 428 I N 2.128 122.477 120.570 -0.369 0.000 2.355 428 I HA 0.209 4.379 4.170 -0.000 0.000 0.288 428 I C 1.004 176.845 176.117 -0.461 0.000 0.999 428 I CA -0.435 60.687 61.300 -0.296 0.000 1.163 428 I CB 0.967 38.866 38.000 -0.169 0.000 1.316 428 I HN 0.453 nan 8.210 nan 0.000 0.454 429 H N 4.364 123.261 119.070 -0.288 0.000 2.705 429 H HA 0.249 4.804 4.556 -0.000 0.000 0.269 429 H C -1.038 173.718 175.328 -0.953 0.000 0.998 429 H CA 0.258 55.939 56.048 -0.613 0.000 1.193 429 H CB 0.437 29.747 29.762 -0.753 0.000 1.485 429 H HN 0.420 nan 8.280 nan 0.000 0.521 430 Y N 0.343 120.614 120.300 -0.048 0.000 2.373 430 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 430 Y C -0.804 175.029 175.900 -0.111 0.000 0.979 430 Y CA -1.040 56.968 58.100 -0.154 0.000 1.080 430 Y CB 1.763 40.121 38.460 -0.169 0.000 1.190 430 Y HN -0.112 nan 8.280 nan 0.000 0.446 431 I N 2.926 123.502 120.570 0.010 0.000 2.448 431 I HA 0.457 4.627 4.170 -0.000 0.000 0.281 431 I C 0.295 176.435 176.117 0.037 0.000 1.027 431 I CA -0.693 60.632 61.300 0.042 0.000 1.111 431 I CB 1.754 39.798 38.000 0.074 0.000 1.236 431 I HN 0.844 nan 8.210 nan 0.000 0.452 432 G N 5.974 114.803 108.800 0.050 0.000 2.353 432 G HA2 0.542 4.501 3.960 -0.000 0.000 0.284 432 G HA3 0.542 4.501 3.960 -0.000 0.000 0.284 432 G C -0.022 174.927 174.900 0.082 0.000 1.172 432 G CA -0.185 44.947 45.100 0.053 0.000 0.854 432 G HN 0.690 nan 8.290 nan 0.000 0.485 433 I N -0.218 120.399 120.570 0.079 0.000 3.241 433 I HA 0.658 4.828 4.170 -0.000 0.000 0.333 433 I C 0.398 176.566 176.117 0.085 0.000 1.534 433 I CA -1.163 60.193 61.300 0.094 0.000 0.979 433 I CB 0.688 38.736 38.000 0.080 0.000 1.497 433 I HN 0.750 nan 8.210 nan 0.000 0.530 434 G N 1.333 110.182 108.800 0.080 0.000 2.358 434 G HA2 0.315 4.275 3.960 -0.000 0.000 0.301 434 G HA3 0.315 4.275 3.960 -0.000 0.000 0.301 434 G C -2.906 172.034 174.900 0.066 0.000 1.539 434 G CA -0.431 44.707 45.100 0.064 0.000 0.893 434 G HN -0.164 nan 8.290 nan 0.000 0.636 435 P HA 0.104 nan 4.420 nan 0.000 0.233 435 P C 1.264 178.630 177.300 0.110 0.000 1.167 435 P CA 0.999 64.159 63.100 0.101 0.000 0.770 435 P CB 0.207 31.944 31.700 0.061 0.000 0.837 436 G N 0.739 109.555 108.800 0.026 0.000 2.554 436 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.238 436 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.238 436 G C 0.990 175.961 174.900 0.118 0.000 1.259 436 G CA -0.422 44.705 45.100 0.046 0.000 0.843 436 G HN 0.090 nan 8.290 nan 0.000 0.582 437 R N -0.001 120.585 120.500 0.144 0.000 2.115 437 R HA -0.080 4.260 4.340 -0.000 0.000 0.230 437 R C 1.522 177.899 176.300 0.128 0.000 1.111 437 R CA 1.749 57.935 56.100 0.145 0.000 0.976 437 R CB -0.056 30.335 30.300 0.153 0.000 0.870 437 R HN 0.637 nan 8.270 nan 0.000 0.445 438 D N -0.461 120.007 120.400 0.114 0.000 2.348 438 D HA 0.084 4.723 4.640 -0.000 0.000 0.211 438 D C -0.164 176.205 176.300 0.116 0.000 0.998 438 D CA 0.313 54.385 54.000 0.120 0.000 0.873 438 D CB 0.341 41.200 40.800 0.099 0.000 0.925 438 D HN 0.292 nan 8.370 nan 0.000 0.524 439 A N 0.789 123.665 122.820 0.093 0.000 3.026 439 A HA 0.412 4.732 4.320 -0.000 0.000 0.272 439 A C -0.515 177.114 177.584 0.075 0.000 1.782 439 A CA -0.005 52.080 52.037 0.080 0.000 1.451 439 A CB -0.745 18.293 19.000 0.064 0.000 1.081 439 A HN 0.290 nan 8.150 nan 0.000 0.611 440 L N 1.858 123.132 121.223 0.085 0.000 2.516 440 L HA 0.532 4.872 4.340 -0.000 0.000 0.267 440 L C -1.008 175.876 176.870 0.024 0.000 0.957 440 L CA -0.164 54.686 54.840 0.018 0.000 0.860 440 L CB 1.633 43.662 42.059 -0.050 0.000 1.265 440 L HN 0.418 nan 8.230 nan 0.000 0.403 441 I N 5.341 125.915 120.570 0.006 0.000 2.304 441 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 441 I C -0.776 175.335 176.117 -0.011 0.000 1.018 441 I CA -0.459 60.892 61.300 0.084 0.000 1.260 441 I CB 0.637 38.709 38.000 0.119 0.000 1.390 441 I HN 0.513 nan 8.210 nan 0.000 0.475 442 Y N 6.596 126.935 120.300 0.064 0.000 2.309 442 Y HA 0.391 4.941 4.550 -0.000 0.000 0.327 442 Y C 0.434 176.288 175.900 -0.077 0.000 1.172 442 Y CA 0.025 58.110 58.100 -0.026 0.000 1.280 442 Y CB 1.023 39.477 38.460 -0.011 0.000 1.234 442 Y HN 0.503 nan 8.280 nan 0.000 0.512 443 K N 0.000 120.358 120.400 -0.070 0.000 2.780 443 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 443 K CA 0.000 56.170 56.287 -0.195 0.000 0.838 443 K CB 0.000 32.233 32.500 -0.445 0.000 1.064 443 K HN 0.000 nan 8.250 nan 0.000 0.543