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 2jlc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTPLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF AEPLYXXMDD TGLSWQQRLG DWWQDDKPWL DATA SEQUENCE REAPRLESEK QRDWFFWRQK RGVVVAGRMS AEEGKKVALW AQTLGWPLIG DATA SEQUENCE DVLSQTGQPL PCADLWLGNA KATSELQQAQ IVVQLGSSLT GKRLLQWQAS DATA SEQUENCE CEPEEYWIVD DIEGRLDPAH HRGRRLIANI ADWLELHPAE KRQPWCVEIP DATA SEQUENCE RLAEQAMQAV IARRDAFGEA QLAHRICDYL PEQGQLFVGN SLVVRLIDAL DATA SEQUENCE SQLPAGYPVY SNRGASGIDG LLSTAAGVQR ASGKPTLAIV GDLSALYDLN DATA SEQUENCE ALALLRQVSA PLVLIVVNNN GGQIFSLLPT PQSERERFYL MPQNVHFEHA DATA SEQUENCE AAMFELKYHR PQNWQELETA FADAWRTPTT TVIEMVVNDT DGAQTLQQLL DATA SEQUENCE AQVSHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.279 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.042 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 S N 2.510 118.205 115.700 -0.009 0.000 2.506 2 S HA 0.227 4.696 4.470 -0.001 0.000 0.291 2 S C 1.003 175.613 174.600 0.017 0.000 1.230 2 S CA -0.339 57.864 58.200 0.005 0.000 1.107 2 S CB 0.643 63.854 63.200 0.018 0.000 0.942 2 S HN 0.214 nan 8.310 nan 0.000 0.502 3 V N 5.678 125.593 119.914 0.001 0.000 2.307 3 V HA -0.116 4.003 4.120 -0.001 0.000 0.245 3 V C 2.653 178.764 176.094 0.028 0.000 1.045 3 V CA 2.130 64.438 62.300 0.012 0.000 1.024 3 V CB -1.232 30.582 31.823 -0.015 0.000 0.651 3 V HN 0.911 nan 8.190 nan 0.000 0.449 4 S N -0.114 115.582 115.700 -0.007 0.000 2.380 4 S HA -0.340 4.129 4.470 -0.001 0.000 0.229 4 S C 2.202 176.785 174.600 -0.028 0.000 1.050 4 S CA 2.068 60.241 58.200 -0.045 0.000 1.100 4 S CB -0.592 62.587 63.200 -0.035 0.000 0.984 4 S HN 0.685 nan 8.310 nan 0.000 0.434 5 A N 0.195 123.024 122.820 0.015 0.000 1.883 5 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 5 A C 1.973 179.593 177.584 0.060 0.000 1.186 5 A CA 1.830 53.887 52.037 0.033 0.000 0.624 5 A CB -0.976 18.056 19.000 0.053 0.000 0.822 5 A HN 0.562 nan 8.150 nan 0.000 0.444 6 F N 1.251 121.172 119.950 -0.049 0.000 2.186 6 F HA -0.168 4.359 4.527 -0.001 0.000 0.299 6 F C 2.027 177.826 175.800 -0.001 0.000 1.090 6 F CA 1.708 59.666 58.000 -0.069 0.000 1.307 6 F CB -0.248 38.654 39.000 -0.163 0.000 1.019 6 F HN 0.202 nan 8.300 nan 0.000 0.489 7 N N 0.709 119.437 118.700 0.046 0.000 2.036 7 N HA -0.205 4.534 4.740 -0.001 0.000 0.195 7 N C 1.960 177.438 175.510 -0.053 0.000 1.037 7 N CA 1.762 54.813 53.050 0.002 0.000 0.855 7 N CB -0.438 37.992 38.487 -0.095 0.000 1.033 7 N HN 0.321 nan 8.380 nan 0.000 0.423 8 R N 0.342 120.790 120.500 -0.087 0.000 2.081 8 R HA 0.081 4.420 4.340 -0.001 0.000 0.235 8 R C 2.187 178.504 176.300 0.028 0.000 1.131 8 R CA 0.812 56.881 56.100 -0.050 0.000 0.960 8 R CB -0.034 30.233 30.300 -0.053 0.000 0.856 8 R HN 0.193 nan 8.270 nan 0.000 0.436 9 R N 0.227 120.717 120.500 -0.017 0.000 2.083 9 R HA -0.200 4.139 4.340 -0.001 0.000 0.237 9 R C 1.987 178.359 176.300 0.120 0.000 1.137 9 R CA 1.224 57.340 56.100 0.027 0.000 0.951 9 R CB -0.726 29.542 30.300 -0.053 0.000 0.851 9 R HN 0.493 nan 8.270 nan 0.000 0.434 10 W N 1.590 122.692 121.300 -0.330 0.000 2.355 10 W HA -0.130 4.529 4.660 -0.001 0.000 0.309 10 W C 1.876 178.480 176.519 0.142 0.000 1.206 10 W CA 1.801 59.050 57.345 -0.160 0.000 1.284 10 W CB -0.329 28.894 29.460 -0.394 0.000 1.145 10 W HN 0.095 nan 8.180 nan 0.000 0.502 11 A N 0.898 124.004 122.820 0.476 0.000 1.930 11 A HA -0.011 4.309 4.320 -0.001 0.000 0.217 11 A C 2.206 179.953 177.584 0.272 0.000 1.175 11 A CA 2.461 54.738 52.037 0.400 0.000 0.627 11 A CB -1.221 17.935 19.000 0.259 0.000 0.815 11 A HN 0.296 nan 8.150 nan 0.000 0.443 12 A N -0.518 122.457 122.820 0.258 0.000 1.933 12 A HA 0.030 4.350 4.320 -0.001 0.000 0.218 12 A C 2.208 180.031 177.584 0.398 0.000 1.175 12 A CA 1.674 53.894 52.037 0.305 0.000 0.628 12 A CB -0.823 18.345 19.000 0.280 0.000 0.814 12 A HN 0.345 nan 8.150 nan 0.000 0.444 13 V N 0.347 120.487 119.914 0.376 0.000 2.261 13 V HA -0.297 3.823 4.120 -0.001 0.000 0.246 13 V C 2.421 178.589 176.094 0.122 0.000 1.047 13 V CA 2.154 64.608 62.300 0.256 0.000 1.015 13 V CB -0.781 31.090 31.823 0.080 0.000 0.642 13 V HN 0.597 nan 8.190 nan 0.000 0.446 14 I N -0.490 120.124 120.570 0.074 0.000 2.145 14 I HA -0.328 3.842 4.170 -0.001 0.000 0.244 14 I C 2.310 178.528 176.117 0.169 0.000 1.075 14 I CA 1.833 63.181 61.300 0.079 0.000 1.332 14 I CB -0.443 37.626 38.000 0.115 0.000 1.033 14 I HN 0.240 nan 8.210 nan 0.000 0.410 15 L N -0.219 121.145 121.223 0.235 0.000 2.095 15 L HA -0.146 4.194 4.340 -0.001 0.000 0.204 15 L C 2.577 179.642 176.870 0.326 0.000 1.080 15 L CA 1.044 56.071 54.840 0.313 0.000 0.759 15 L CB -0.452 41.819 42.059 0.353 0.000 0.914 15 L HN 0.134 nan 8.230 nan 0.000 0.439 16 E N 0.625 120.979 120.200 0.258 0.000 2.033 16 E HA -0.266 4.084 4.350 -0.001 0.000 0.199 16 E C 2.200 178.870 176.600 0.116 0.000 1.011 16 E CA 1.737 58.211 56.400 0.123 0.000 0.815 16 E CB -0.504 29.260 29.700 0.106 0.000 0.755 16 E HN 0.329 nan 8.360 nan 0.000 0.451 17 A N 0.730 123.723 122.820 0.288 0.000 1.944 17 A HA -0.285 4.034 4.320 -0.001 0.000 0.222 17 A C 2.462 180.208 177.584 0.270 0.000 1.237 17 A CA 2.324 54.556 52.037 0.325 0.000 0.668 17 A CB -1.199 17.914 19.000 0.189 0.000 0.830 17 A HN 0.394 nan 8.150 nan 0.000 0.471 18 L N -0.791 120.587 121.223 0.259 0.000 2.291 18 L HA -0.112 4.227 4.340 -0.001 0.000 0.214 18 L C 2.584 179.592 176.870 0.230 0.000 1.120 18 L CA 1.392 56.408 54.840 0.292 0.000 0.799 18 L CB -0.811 41.424 42.059 0.294 0.000 0.925 18 L HN 0.476 nan 8.230 nan 0.000 0.446 19 T N -0.903 113.712 114.554 0.101 0.000 2.822 19 T HA -0.153 4.196 4.350 -0.001 0.000 0.270 19 T C 1.798 176.443 174.700 -0.092 0.000 1.064 19 T CA 0.930 62.978 62.100 -0.085 0.000 1.131 19 T CB -0.202 68.524 68.868 -0.237 0.000 0.858 19 T HN 0.246 nan 8.240 nan 0.000 0.483 20 R N 0.589 121.026 120.500 -0.106 0.000 2.297 20 R HA 0.120 4.459 4.340 -0.001 0.000 0.197 20 R C 0.903 176.975 176.300 -0.380 0.000 0.943 20 R CA 0.498 56.441 56.100 -0.260 0.000 1.038 20 R CB -0.190 29.931 30.300 -0.298 0.000 0.957 20 R HN 0.585 nan 8.270 nan 0.000 0.484 21 H N -0.867 118.216 119.070 0.023 0.000 2.581 21 H HA 0.255 4.811 4.556 -0.001 0.000 0.275 21 H C 0.650 175.990 175.328 0.021 0.000 1.126 21 H CA 0.483 56.545 56.048 0.023 0.000 1.097 21 H CB 1.007 30.789 29.762 0.034 0.000 1.626 21 H HN 0.343 nan 8.280 nan 0.000 0.565 22 G N 1.174 110.017 108.800 0.072 0.000 2.141 22 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.231 22 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.231 22 G C 0.184 175.126 174.900 0.070 0.000 0.984 22 G CA 0.146 45.273 45.100 0.045 0.000 0.660 22 G HN 0.189 nan 8.290 nan 0.000 0.525 23 V N 1.597 121.587 119.914 0.126 0.000 2.439 23 V HA 0.394 4.513 4.120 -0.001 0.000 0.271 23 V C 1.448 177.672 176.094 0.218 0.000 1.040 23 V CA -0.043 62.372 62.300 0.192 0.000 1.002 23 V CB 1.157 33.150 31.823 0.282 0.000 1.000 23 V HN 0.323 nan 8.190 nan 0.000 0.477 24 R N 1.629 122.197 120.500 0.113 0.000 2.225 24 R HA 0.226 4.565 4.340 -0.001 0.000 0.194 24 R C 0.533 176.822 176.300 -0.018 0.000 0.949 24 R CA 0.403 56.498 56.100 -0.008 0.000 1.088 24 R CB 0.130 30.291 30.300 -0.231 0.000 1.106 24 R HN 0.668 nan 8.270 nan 0.000 0.566 25 H N 0.286 119.449 119.070 0.156 0.000 2.473 25 H HA 0.413 4.968 4.556 -0.001 0.000 0.327 25 H C -0.451 174.859 175.328 -0.030 0.000 1.105 25 H CA -0.440 55.675 56.048 0.112 0.000 1.280 25 H CB 2.003 31.827 29.762 0.104 0.000 1.450 25 H HN -0.018 nan 8.280 nan 0.000 0.492 26 I N 2.501 123.089 120.570 0.030 0.000 2.571 26 I HA 0.196 4.365 4.170 -0.001 0.000 0.289 26 I C -0.932 175.209 176.117 0.041 0.000 1.115 26 I CA -0.356 60.857 61.300 -0.146 0.000 1.045 26 I CB 0.834 38.496 38.000 -0.564 0.000 1.238 26 I HN 0.512 nan 8.210 nan 0.000 0.424 27 C N 7.486 126.809 119.300 0.037 0.000 2.319 27 C HA 0.659 5.118 4.460 -0.001 0.000 0.335 27 C C -0.048 174.976 174.990 0.058 0.000 1.274 27 C CA -0.580 58.486 59.018 0.079 0.000 1.806 27 C CB 0.263 28.014 27.740 0.017 0.000 2.329 27 C HN 0.495 nan 8.230 nan 0.000 0.524 28 I N 2.655 123.279 120.570 0.091 0.000 2.498 28 I HA 0.609 4.779 4.170 -0.001 0.000 0.290 28 I C 0.232 176.403 176.117 0.090 0.000 1.032 28 I CA -0.096 61.254 61.300 0.083 0.000 1.073 28 I CB 1.544 39.601 38.000 0.094 0.000 1.251 28 I HN 0.748 nan 8.210 nan 0.000 0.426 29 A N 7.449 130.317 122.820 0.080 0.000 2.320 29 A HA 0.919 5.238 4.320 -0.001 0.000 0.334 29 A C -2.598 175.036 177.584 0.083 0.000 1.147 29 A CA -1.588 50.497 52.037 0.080 0.000 0.820 29 A CB 0.618 19.658 19.000 0.067 0.000 1.218 29 A HN 0.423 nan 8.150 nan 0.000 0.482 30 P HA 0.539 nan 4.420 nan 0.000 0.274 30 P C 0.075 177.424 177.300 0.081 0.000 1.231 30 P CA 0.191 63.342 63.100 0.085 0.000 0.790 30 P CB 1.296 33.049 31.700 0.088 0.000 0.951 31 G N -0.969 107.880 108.800 0.081 0.000 2.338 31 G HA2 0.260 4.220 3.960 -0.001 0.000 0.295 31 G HA3 0.260 4.220 3.960 -0.001 0.000 0.295 31 G C 0.084 175.043 174.900 0.098 0.000 1.461 31 G CA 0.078 45.228 45.100 0.084 0.000 0.817 31 G HN 0.388 nan 8.290 nan 0.000 0.556 32 S N -1.068 114.697 115.700 0.109 0.000 2.460 32 S HA 0.016 4.486 4.470 -0.001 0.000 0.226 32 S C 2.279 176.936 174.600 0.095 0.000 1.057 32 S CA 1.276 59.571 58.200 0.158 0.000 0.948 32 S CB -0.137 63.173 63.200 0.182 0.000 0.822 32 S HN 0.507 nan 8.310 nan 0.000 0.512 33 R N 2.177 122.726 120.500 0.081 0.000 2.096 33 R HA 0.023 4.362 4.340 -0.001 0.000 0.235 33 R C 2.271 178.598 176.300 0.044 0.000 1.127 33 R CA 2.110 58.252 56.100 0.069 0.000 0.968 33 R CB -1.029 29.335 30.300 0.107 0.000 0.861 33 R HN 0.555 nan 8.270 nan 0.000 0.440 34 S N -1.321 114.415 115.700 0.060 0.000 2.507 34 S HA -0.097 4.372 4.470 -0.001 0.000 0.235 34 S C 1.731 176.296 174.600 -0.058 0.000 0.988 34 S CA 1.165 59.394 58.200 0.047 0.000 0.944 34 S CB -0.578 62.671 63.200 0.081 0.000 0.762 34 S HN 0.286 nan 8.310 nan 0.000 0.526 35 T N 3.842 118.337 114.554 -0.098 0.000 2.602 35 T HA -0.161 4.188 4.350 -0.001 0.000 0.264 35 T C -0.530 174.029 174.700 -0.235 0.000 1.085 35 T CA 2.364 64.368 62.100 -0.160 0.000 1.164 35 T CB -1.777 66.916 68.868 -0.293 0.000 0.860 35 T HN 0.418 nan 8.240 nan 0.000 0.442 36 P HA -0.084 nan 4.420 nan 0.000 0.214 36 P C 1.702 178.873 177.300 -0.214 0.000 1.169 36 P CA 1.156 63.964 63.100 -0.486 0.000 0.908 36 P CB -0.255 30.700 31.700 -1.242 0.000 0.791 37 L N -1.619 119.519 121.223 -0.140 0.000 2.017 37 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 37 L C 2.392 179.297 176.870 0.059 0.000 1.073 37 L CA 2.024 56.899 54.840 0.059 0.000 0.745 37 L CB -1.631 40.514 42.059 0.143 0.000 0.894 37 L HN 0.047 nan 8.230 nan 0.000 0.432 38 T N 0.194 114.767 114.554 0.032 0.000 2.746 38 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 38 T C 1.985 176.720 174.700 0.058 0.000 1.039 38 T CA 1.117 63.249 62.100 0.053 0.000 1.142 38 T CB -0.193 68.703 68.868 0.047 0.000 0.866 38 T HN 0.173 nan 8.240 nan 0.000 0.444 39 L N 0.706 121.944 121.223 0.024 0.000 2.027 39 L HA -0.046 4.293 4.340 -0.001 0.000 0.206 39 L C 3.110 180.022 176.870 0.069 0.000 1.074 39 L CA 1.244 56.102 54.840 0.030 0.000 0.745 39 L CB -0.768 41.287 42.059 -0.005 0.000 0.898 39 L HN 0.254 nan 8.230 nan 0.000 0.433 40 A N 0.039 122.908 122.820 0.081 0.000 1.978 40 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 40 A C 2.459 180.170 177.584 0.212 0.000 1.170 40 A CA 1.801 53.922 52.037 0.139 0.000 0.636 40 A CB -0.529 18.565 19.000 0.156 0.000 0.810 40 A HN 0.431 nan 8.150 nan 0.000 0.448 41 A N -0.467 122.480 122.820 0.213 0.000 1.930 41 A HA 0.337 4.656 4.320 -0.001 0.000 0.215 41 A C 2.450 180.280 177.584 0.409 0.000 1.176 41 A CA 1.530 53.755 52.037 0.313 0.000 0.632 41 A CB -0.848 18.249 19.000 0.162 0.000 0.819 41 A HN 0.949 nan 8.150 nan 0.000 0.445 42 A N 0.324 123.267 122.820 0.205 0.000 1.883 42 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 42 A C 1.879 179.520 177.584 0.095 0.000 1.186 42 A CA 1.693 53.757 52.037 0.045 0.000 0.624 42 A CB -0.593 18.401 19.000 -0.011 0.000 0.822 42 A HN 0.616 nan 8.150 nan 0.000 0.444 43 E N -0.192 120.084 120.200 0.127 0.000 2.153 43 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 43 E C 0.386 177.068 176.600 0.137 0.000 0.988 43 E CA 0.448 56.911 56.400 0.104 0.000 0.811 43 E CB -0.144 29.609 29.700 0.089 0.000 0.746 43 E HN 0.463 nan 8.360 nan 0.000 0.466 44 N N 0.973 119.809 118.700 0.228 0.000 2.415 44 N HA -0.015 4.724 4.740 -0.001 0.000 0.246 44 N C 0.388 175.975 175.510 0.128 0.000 1.078 44 N CA 0.029 53.170 53.050 0.151 0.000 0.942 44 N CB 1.071 39.651 38.487 0.155 0.000 1.140 44 N HN -0.044 nan 8.380 nan 0.000 0.501 45 S N 2.117 117.846 115.700 0.048 0.000 2.603 45 S HA -0.019 4.450 4.470 -0.001 0.000 0.229 45 S C 1.527 176.081 174.600 -0.076 0.000 0.972 45 S CA 0.376 58.604 58.200 0.047 0.000 0.935 45 S CB -0.013 63.200 63.200 0.022 0.000 0.769 45 S HN 0.495 nan 8.310 nan 0.000 0.536 46 A N 0.255 122.921 122.820 -0.256 0.000 2.167 46 A HA 0.378 4.697 4.320 -0.001 0.000 0.214 46 A C 0.216 177.519 177.584 -0.468 0.000 1.151 46 A CA 0.197 51.980 52.037 -0.425 0.000 0.735 46 A CB -0.382 18.250 19.000 -0.615 0.000 0.802 46 A HN 0.520 nan 8.150 nan 0.000 0.467 47 F N -0.446 119.408 119.950 -0.159 0.000 2.450 47 F HA 0.527 5.053 4.527 -0.001 0.000 0.332 47 F C 0.266 175.817 175.800 -0.415 0.000 1.093 47 F CA -1.730 56.072 58.000 -0.329 0.000 1.003 47 F CB 0.993 39.704 39.000 -0.483 0.000 1.151 47 F HN -0.100 nan 8.300 nan 0.000 0.474 48 I N 3.211 123.711 120.570 -0.115 0.000 2.441 48 I HA 0.150 4.319 4.170 -0.001 0.000 0.287 48 I C -0.563 175.418 176.117 -0.227 0.000 1.049 48 I CA -0.427 60.801 61.300 -0.120 0.000 1.381 48 I CB 0.620 38.601 38.000 -0.032 0.000 1.409 48 I HN 0.522 nan 8.210 nan 0.000 0.523 49 H N 4.693 123.714 119.070 -0.080 0.000 2.467 49 H HA 0.482 5.037 4.556 -0.001 0.000 0.326 49 H C -0.625 174.571 175.328 -0.221 0.000 1.094 49 H CA -0.477 55.533 56.048 -0.063 0.000 1.253 49 H CB 0.785 30.550 29.762 0.005 0.000 1.439 49 H HN 0.424 nan 8.280 nan 0.000 0.479 50 H N 1.335 120.491 119.070 0.143 0.000 2.572 50 H HA 0.433 4.989 4.556 -0.001 0.000 0.359 50 H C -0.156 175.219 175.328 0.079 0.000 1.134 50 H CA -0.746 55.352 56.048 0.084 0.000 1.187 50 H CB 2.154 31.930 29.762 0.022 0.000 1.597 50 H HN 0.755 nan 8.280 nan 0.000 0.524 51 T N -0.480 114.188 114.554 0.189 0.000 2.916 51 T HA 0.513 4.862 4.350 -0.001 0.000 0.292 51 T C -0.857 173.954 174.700 0.185 0.000 1.055 51 T CA -0.804 61.391 62.100 0.159 0.000 1.009 51 T CB 2.834 71.785 68.868 0.138 0.000 1.118 51 T HN 0.755 nan 8.240 nan 0.000 0.497 52 H N 0.456 119.524 119.070 -0.004 0.000 3.094 52 H HA 0.378 4.934 4.556 -0.001 0.000 0.335 52 H C -0.134 175.132 175.328 -0.102 0.000 1.254 52 H CA -1.335 54.628 56.048 -0.141 0.000 1.240 52 H CB 0.866 30.479 29.762 -0.248 0.000 1.936 52 H HN 0.605 nan 8.280 nan 0.000 0.536 53 F N -0.130 119.578 119.950 -0.403 0.000 2.512 53 F HA 0.234 4.760 4.527 -0.001 0.000 0.296 53 F C 0.524 176.171 175.800 -0.256 0.000 1.110 53 F CA -0.089 57.757 58.000 -0.257 0.000 1.446 53 F CB 0.263 39.149 39.000 -0.190 0.000 1.092 53 F HN 0.309 nan 8.300 nan 0.000 0.554 54 D N 1.483 121.411 120.400 -0.788 0.000 2.412 54 D HA 0.097 4.736 4.640 -0.001 0.000 0.224 54 D C 0.597 176.875 176.300 -0.037 0.000 1.093 54 D CA -0.003 53.851 54.000 -0.244 0.000 0.850 54 D CB 1.249 41.902 40.800 -0.245 0.000 1.046 54 D HN 0.193 nan 8.370 nan 0.000 0.507 55 E N 2.339 122.561 120.200 0.035 0.000 2.204 55 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 55 E C 1.824 178.471 176.600 0.079 0.000 0.990 55 E CA 0.793 57.230 56.400 0.061 0.000 0.821 55 E CB 0.206 29.949 29.700 0.070 0.000 0.750 55 E HN 0.433 nan 8.360 nan 0.000 0.477 56 R N -0.044 120.522 120.500 0.109 0.000 2.066 56 R HA -0.082 4.257 4.340 -0.001 0.000 0.232 56 R C 2.325 178.749 176.300 0.207 0.000 1.131 56 R CA 1.527 57.715 56.100 0.147 0.000 0.955 56 R CB -0.542 29.871 30.300 0.188 0.000 0.851 56 R HN 0.280 nan 8.270 nan 0.000 0.432 57 G N 1.349 110.259 108.800 0.183 0.000 2.442 57 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.219 57 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.219 57 G C 1.357 176.295 174.900 0.063 0.000 1.141 57 G CA 0.786 45.966 45.100 0.133 0.000 0.763 57 G HN 0.324 nan 8.290 nan 0.000 0.554 58 L N 1.099 122.384 121.223 0.103 0.000 2.056 58 L HA 0.159 4.499 4.340 -0.001 0.000 0.207 58 L C 2.923 179.773 176.870 -0.034 0.000 1.078 58 L CA 2.040 56.896 54.840 0.028 0.000 0.749 58 L CB -0.717 41.379 42.059 0.061 0.000 0.901 58 L HN 0.185 nan 8.230 nan 0.000 0.433 59 G N -1.723 107.050 108.800 -0.043 0.000 2.469 59 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.219 59 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.219 59 G C 1.221 176.003 174.900 -0.197 0.000 1.150 59 G CA 1.368 46.382 45.100 -0.142 0.000 0.763 59 G HN 0.582 nan 8.290 nan 0.000 0.561 60 H N -1.131 117.881 119.070 -0.097 0.000 2.482 60 H HA 0.178 4.734 4.556 -0.001 0.000 0.286 60 H C 2.212 177.435 175.328 -0.175 0.000 1.017 60 H CA 0.455 56.431 56.048 -0.122 0.000 1.322 60 H CB 0.086 29.779 29.762 -0.116 0.000 1.426 60 H HN 0.267 nan 8.280 nan 0.000 0.546 61 L N 1.005 122.175 121.223 -0.089 0.000 1.970 61 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 61 L C 2.386 179.116 176.870 -0.234 0.000 1.071 61 L CA 1.990 56.705 54.840 -0.209 0.000 0.751 61 L CB -1.064 40.848 42.059 -0.245 0.000 0.889 61 L HN 0.247 nan 8.230 nan 0.000 0.432 62 A N -0.671 122.036 122.820 -0.189 0.000 1.917 62 A HA -0.270 4.049 4.320 -0.001 0.000 0.219 62 A C 2.301 179.788 177.584 -0.161 0.000 1.182 62 A CA 2.262 54.194 52.037 -0.175 0.000 0.633 62 A CB -1.192 17.735 19.000 -0.122 0.000 0.819 62 A HN 0.562 nan 8.150 nan 0.000 0.448 63 L N -0.043 121.098 121.223 -0.138 0.000 2.017 63 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 63 L C 2.440 179.242 176.870 -0.112 0.000 1.073 63 L CA 2.521 57.297 54.840 -0.106 0.000 0.745 63 L CB -1.123 40.889 42.059 -0.079 0.000 0.894 63 L HN 0.306 nan 8.230 nan 0.000 0.432 64 G N -0.249 108.465 108.800 -0.143 0.000 2.459 64 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 64 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 64 G C 1.614 176.362 174.900 -0.254 0.000 1.183 64 G CA 1.242 46.222 45.100 -0.200 0.000 0.776 64 G HN 0.450 nan 8.290 nan 0.000 0.552 65 L N 0.711 121.754 121.223 -0.299 0.000 2.081 65 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 65 L C 3.396 180.134 176.870 -0.220 0.000 1.080 65 L CA 1.217 55.843 54.840 -0.357 0.000 0.754 65 L CB -0.370 41.377 42.059 -0.521 0.000 0.893 65 L HN 0.333 nan 8.230 nan 0.000 0.433 66 A N -0.303 122.425 122.820 -0.153 0.000 1.897 66 A HA -0.211 4.108 4.320 -0.001 0.000 0.215 66 A C 2.385 179.917 177.584 -0.086 0.000 1.181 66 A CA 1.563 53.550 52.037 -0.083 0.000 0.620 66 A CB -0.416 18.544 19.000 -0.066 0.000 0.821 66 A HN 0.292 nan 8.150 nan 0.000 0.443 67 K N -0.395 119.938 120.400 -0.111 0.000 2.113 67 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 67 K C 1.628 178.137 176.600 -0.152 0.000 1.047 67 K CA 1.929 58.159 56.287 -0.096 0.000 0.928 67 K CB -0.141 32.300 32.500 -0.099 0.000 0.716 67 K HN 0.302 nan 8.250 nan 0.000 0.446 68 V N -0.102 119.647 119.914 -0.275 0.000 2.581 68 V HA -0.114 4.006 4.120 -0.001 0.000 0.240 68 V C 2.133 178.165 176.094 -0.103 0.000 1.054 68 V CA 1.483 63.587 62.300 -0.328 0.000 1.076 68 V CB 0.427 31.954 31.823 -0.494 0.000 0.748 68 V HN 0.465 nan 8.190 nan 0.000 0.474 69 S N -0.603 115.052 115.700 -0.075 0.000 2.453 69 S HA -0.154 4.316 4.470 -0.001 0.000 0.231 69 S C 1.194 175.801 174.600 0.011 0.000 1.005 69 S CA 0.620 58.820 58.200 0.001 0.000 0.949 69 S CB -0.295 62.943 63.200 0.062 0.000 0.774 69 S HN 0.511 nan 8.310 nan 0.000 0.510 70 K N 0.362 120.759 120.400 -0.005 0.000 3.130 70 K HA -0.193 4.127 4.320 -0.001 0.000 0.282 70 K C -0.515 176.088 176.600 0.004 0.000 1.145 70 K CA 1.052 57.338 56.287 -0.002 0.000 0.831 70 K CB -2.130 30.372 32.500 0.004 0.000 1.226 70 K HN 0.722 nan 8.250 nan 0.000 0.478 71 Q N 0.465 120.279 119.800 0.023 0.000 2.204 71 Q HA 0.386 4.726 4.340 -0.001 0.000 0.254 71 Q C -2.253 173.768 176.000 0.035 0.000 0.981 71 Q CA -2.017 53.808 55.803 0.037 0.000 0.897 71 Q CB 1.045 29.824 28.738 0.068 0.000 1.273 71 Q HN -0.026 nan 8.270 nan 0.000 0.464 72 P HA 0.055 nan 4.420 nan 0.000 0.271 72 P C -1.008 176.331 177.300 0.065 0.000 1.216 72 P CA -0.002 63.122 63.100 0.040 0.000 0.776 72 P CB 0.745 32.474 31.700 0.049 0.000 0.881 73 V N 2.403 122.341 119.914 0.040 0.000 2.487 73 V HA 0.557 4.676 4.120 -0.001 0.000 0.298 73 V C 0.429 176.526 176.094 0.005 0.000 1.028 73 V CA -0.847 61.480 62.300 0.046 0.000 0.860 73 V CB 1.571 33.400 31.823 0.010 0.000 0.991 73 V HN 0.746 nan 8.190 nan 0.000 0.427 74 A N 4.544 127.352 122.820 -0.020 0.000 2.293 74 A HA 0.875 5.194 4.320 -0.001 0.000 0.302 74 A C -0.620 176.926 177.584 -0.063 0.000 1.119 74 A CA -0.442 51.557 52.037 -0.063 0.000 0.823 74 A CB 1.225 20.133 19.000 -0.154 0.000 1.097 74 A HN 0.727 nan 8.150 nan 0.000 0.491 75 V N 1.996 121.889 119.914 -0.035 0.000 2.709 75 V HA 0.474 4.593 4.120 -0.001 0.000 0.308 75 V C -0.707 175.398 176.094 0.019 0.000 1.062 75 V CA -0.168 62.125 62.300 -0.012 0.000 0.901 75 V CB 1.657 33.474 31.823 -0.010 0.000 1.003 75 V HN 0.737 nan 8.190 nan 0.000 0.425 76 I N 4.966 125.556 120.570 0.033 0.000 2.498 76 I HA 0.753 4.923 4.170 -0.001 0.000 0.290 76 I C -0.516 175.648 176.117 0.078 0.000 1.032 76 I CA -0.899 60.441 61.300 0.067 0.000 1.073 76 I CB 2.073 40.113 38.000 0.065 0.000 1.251 76 I HN 0.529 nan 8.210 nan 0.000 0.426 77 V N 1.268 121.241 119.914 0.098 0.000 3.130 77 V HA 0.635 4.754 4.120 -0.001 0.000 0.310 77 V C -0.275 175.886 176.094 0.111 0.000 1.158 77 V CA -0.497 61.861 62.300 0.097 0.000 1.029 77 V CB 1.772 33.651 31.823 0.093 0.000 1.057 77 V HN 0.709 nan 8.190 nan 0.000 0.436 78 T N 1.504 116.118 114.554 0.100 0.000 2.788 78 T HA 0.444 4.794 4.350 -0.001 0.000 0.280 78 T C 0.667 175.427 174.700 0.099 0.000 0.984 78 T CA 0.494 62.655 62.100 0.102 0.000 0.972 78 T CB 0.863 69.784 68.868 0.089 0.000 1.039 78 T HN 1.789 nan 8.240 nan 0.000 0.530 79 S N 0.602 116.360 115.700 0.096 0.000 2.580 79 S HA 0.570 5.039 4.470 -0.001 0.000 0.266 79 S C 0.844 175.479 174.600 0.059 0.000 1.354 79 S CA 0.146 58.393 58.200 0.078 0.000 1.008 79 S CB -0.114 63.130 63.200 0.072 0.000 0.898 79 S HN 1.722 nan 8.310 nan 0.000 0.555 80 G N 0.808 109.631 108.800 0.040 0.000 2.451 80 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.208 80 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.208 80 G C 0.601 175.516 174.900 0.025 0.000 1.248 80 G CA 0.681 45.798 45.100 0.029 0.000 0.989 80 G HN 1.856 nan 8.290 nan 0.000 0.559 81 T N -0.691 113.882 114.554 0.033 0.000 3.035 81 T HA 0.328 4.677 4.350 -0.001 0.000 0.268 81 T C 2.593 177.328 174.700 0.060 0.000 1.109 81 T CA 2.255 64.378 62.100 0.040 0.000 1.119 81 T CB -0.392 68.503 68.868 0.045 0.000 0.900 81 T HN 2.063 nan 8.240 nan 0.000 0.503 82 A N 1.585 124.444 122.820 0.064 0.000 1.903 82 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 82 A C 2.587 180.224 177.584 0.088 0.000 1.191 82 A CA 2.176 54.259 52.037 0.076 0.000 0.638 82 A CB -1.281 17.765 19.000 0.076 0.000 0.823 82 A HN 0.463 nan 8.150 nan 0.000 0.451 83 V N -0.517 119.446 119.914 0.082 0.000 2.358 83 V HA -0.172 3.947 4.120 -0.001 0.000 0.246 83 V C 3.014 179.208 176.094 0.167 0.000 1.047 83 V CA 1.811 64.178 62.300 0.112 0.000 1.035 83 V CB -1.327 30.527 31.823 0.052 0.000 0.658 83 V HN 0.631 nan 8.190 nan 0.000 0.452 84 A N 0.253 123.117 122.820 0.073 0.000 1.972 84 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 84 A C 2.017 179.718 177.584 0.195 0.000 1.169 84 A CA 1.749 53.840 52.037 0.091 0.000 0.635 84 A CB -0.702 18.317 19.000 0.032 0.000 0.810 84 A HN 0.597 nan 8.150 nan 0.000 0.446 85 N N -0.033 118.757 118.700 0.150 0.000 2.520 85 N HA -0.046 4.694 4.740 -0.001 0.000 0.185 85 N C 1.273 176.856 175.510 0.122 0.000 1.068 85 N CA 0.833 53.970 53.050 0.144 0.000 0.911 85 N CB -0.182 38.375 38.487 0.116 0.000 0.961 85 N HN 0.540 nan 8.380 nan 0.000 0.446 86 L N -0.497 120.796 121.223 0.115 0.000 2.492 86 L HA -0.054 4.285 4.340 -0.001 0.000 0.223 86 L C 2.054 178.868 176.870 -0.093 0.000 1.132 86 L CA 0.189 55.015 54.840 -0.024 0.000 0.850 86 L CB -0.378 41.638 42.059 -0.072 0.000 0.966 86 L HN 0.072 nan 8.230 nan 0.000 0.454 87 Y N 1.919 122.165 120.300 -0.090 0.000 2.097 87 Y HA -0.134 4.416 4.550 -0.001 0.000 0.282 87 Y C -0.116 175.660 175.900 -0.206 0.000 1.152 87 Y CA 0.849 58.860 58.100 -0.149 0.000 1.136 87 Y CB -1.636 36.901 38.460 0.129 0.000 0.975 87 Y HN 0.130 nan 8.280 nan 0.000 0.498 88 P HA -0.189 nan 4.420 nan 0.000 0.216 88 P C 1.446 178.607 177.300 -0.231 0.000 1.150 88 P CA 2.571 65.606 63.100 -0.110 0.000 0.843 88 P CB -0.204 31.519 31.700 0.039 0.000 0.787 89 A N -1.061 121.518 122.820 -0.402 0.000 1.929 89 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 89 A C 2.107 179.534 177.584 -0.261 0.000 1.176 89 A CA 1.101 52.857 52.037 -0.469 0.000 0.628 89 A CB -1.574 17.092 19.000 -0.556 0.000 0.816 89 A HN 0.138 nan 8.150 nan 0.000 0.444 90 L N 0.154 121.225 121.223 -0.254 0.000 2.042 90 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 90 L C 2.203 178.997 176.870 -0.126 0.000 1.076 90 L CA 1.753 56.461 54.840 -0.220 0.000 0.749 90 L CB -0.321 41.517 42.059 -0.368 0.000 0.893 90 L HN 0.437 nan 8.230 nan 0.000 0.432 91 I N -0.754 119.725 120.570 -0.152 0.000 2.315 91 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 91 I C 2.426 178.508 176.117 -0.057 0.000 1.117 91 I CA 1.330 62.553 61.300 -0.128 0.000 1.404 91 I CB -0.268 37.533 38.000 -0.332 0.000 1.071 91 I HN 0.364 nan 8.210 nan 0.000 0.419 92 E N 1.527 121.679 120.200 -0.080 0.000 2.072 92 E HA -0.140 4.209 4.350 -0.001 0.000 0.190 92 E C 2.132 178.716 176.600 -0.027 0.000 0.982 92 E CA 1.458 57.836 56.400 -0.037 0.000 0.803 92 E CB -0.133 29.557 29.700 -0.017 0.000 0.755 92 E HN 0.357 nan 8.360 nan 0.000 0.453 93 A N 0.556 123.344 122.820 -0.052 0.000 1.884 93 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 93 A C 2.527 180.099 177.584 -0.019 0.000 1.197 93 A CA 2.187 54.198 52.037 -0.043 0.000 0.637 93 A CB -1.687 17.272 19.000 -0.069 0.000 0.827 93 A HN 0.443 nan 8.150 nan 0.000 0.450 94 G N -0.739 108.058 108.800 -0.005 0.000 2.450 94 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.220 94 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.220 94 G C 1.515 176.428 174.900 0.020 0.000 1.130 94 G CA 1.128 46.241 45.100 0.021 0.000 0.760 94 G HN 0.456 nan 8.290 nan 0.000 0.557 95 L N 0.352 121.586 121.223 0.019 0.000 2.202 95 L HA 0.067 4.406 4.340 -0.001 0.000 0.205 95 L C 2.856 179.733 176.870 0.011 0.000 1.083 95 L CA 1.642 56.492 54.840 0.017 0.000 0.790 95 L CB -0.133 41.936 42.059 0.017 0.000 0.942 95 L HN 0.408 nan 8.230 nan 0.000 0.452 96 T N -5.337 109.222 114.554 0.007 0.000 3.010 96 T HA 0.377 4.727 4.350 -0.001 0.000 0.257 96 T C 1.264 175.966 174.700 0.004 0.000 1.020 96 T CA 0.487 62.592 62.100 0.009 0.000 0.938 96 T CB 1.240 70.117 68.868 0.015 0.000 1.049 96 T HN 0.375 nan 8.240 nan 0.000 0.522 97 G N 1.266 110.063 108.800 -0.004 0.000 2.278 97 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.210 97 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.210 97 G C -0.193 174.688 174.900 -0.031 0.000 1.000 97 G CA -0.329 44.761 45.100 -0.017 0.000 0.635 97 G HN 0.560 nan 8.290 nan 0.000 0.495 98 E N 1.598 121.782 120.200 -0.027 0.000 2.608 98 E HA 0.325 4.674 4.350 -0.001 0.000 0.259 98 E C 0.381 176.957 176.600 -0.040 0.000 0.951 98 E CA 0.740 57.119 56.400 -0.036 0.000 0.945 98 E CB 0.348 30.023 29.700 -0.042 0.000 0.916 98 E HN 0.434 nan 8.360 nan 0.000 0.477 99 K N 3.489 123.868 120.400 -0.036 0.000 2.257 99 K HA 0.260 4.579 4.320 -0.001 0.000 0.270 99 K C -0.534 176.050 176.600 -0.026 0.000 1.098 99 K CA -0.156 56.114 56.287 -0.029 0.000 0.943 99 K CB 0.398 32.886 32.500 -0.021 0.000 1.316 99 K HN 0.314 nan 8.250 nan 0.000 0.447 100 L N 4.700 125.901 121.223 -0.037 0.000 2.282 100 L HA 0.441 4.780 4.340 -0.001 0.000 0.288 100 L C -0.248 176.609 176.870 -0.022 0.000 1.033 100 L CA -0.961 53.852 54.840 -0.044 0.000 0.807 100 L CB 1.076 43.087 42.059 -0.081 0.000 1.209 100 L HN 0.400 nan 8.230 nan 0.000 0.423 101 I N 5.655 126.222 120.570 -0.005 0.000 2.371 101 I HA 0.277 4.447 4.170 -0.001 0.000 0.282 101 I C -0.116 176.023 176.117 0.036 0.000 1.031 101 I CA -0.299 61.016 61.300 0.024 0.000 1.180 101 I CB 1.328 39.346 38.000 0.029 0.000 1.336 101 I HN 0.492 nan 8.210 nan 0.000 0.467 102 L N 7.038 128.305 121.223 0.073 0.000 2.314 102 L HA 0.400 4.739 4.340 -0.001 0.000 0.275 102 L C -0.007 176.978 176.870 0.191 0.000 1.068 102 L CA -0.404 54.499 54.840 0.106 0.000 0.894 102 L CB 0.184 42.290 42.059 0.079 0.000 1.275 102 L HN 0.370 nan 8.230 nan 0.000 0.432 103 L N 3.339 124.647 121.223 0.142 0.000 2.363 103 L HA 0.245 4.584 4.340 -0.001 0.000 0.286 103 L C 0.671 177.654 176.870 0.190 0.000 1.106 103 L CA -0.127 54.812 54.840 0.165 0.000 0.859 103 L CB 0.036 42.178 42.059 0.138 0.000 1.223 103 L HN 0.531 nan 8.230 nan 0.000 0.446 104 T N 0.398 115.094 114.554 0.236 0.000 2.788 104 T HA 0.686 5.035 4.350 -0.001 0.000 0.296 104 T C 0.281 175.103 174.700 0.204 0.000 1.009 104 T CA -0.763 61.475 62.100 0.231 0.000 0.949 104 T CB 1.522 70.577 68.868 0.311 0.000 0.946 104 T HN 0.570 nan 8.240 nan 0.000 0.453 105 A N 3.223 126.166 122.820 0.206 0.000 2.507 105 A HA 0.485 4.804 4.320 -0.001 0.000 0.235 105 A C 0.298 177.973 177.584 0.151 0.000 1.070 105 A CA -0.087 52.088 52.037 0.230 0.000 0.768 105 A CB -0.004 19.146 19.000 0.250 0.000 1.011 105 A HN 0.931 nan 8.150 nan 0.000 0.502 106 D N -0.643 119.830 120.400 0.122 0.000 2.602 106 D HA 0.430 5.069 4.640 -0.001 0.000 0.236 106 D C -0.427 175.907 176.300 0.058 0.000 1.209 106 D CA -0.596 53.442 54.000 0.062 0.000 0.831 106 D CB 1.125 41.932 40.800 0.012 0.000 1.478 106 D HN 0.420 nan 8.370 nan 0.000 0.438 107 R N 1.350 121.874 120.500 0.039 0.000 2.707 107 R HA 0.393 4.732 4.340 -0.001 0.000 0.270 107 R C -1.937 174.356 176.300 -0.011 0.000 1.083 107 R CA -1.381 54.736 56.100 0.027 0.000 1.182 107 R CB -0.832 29.480 30.300 0.021 0.000 1.084 107 R HN 0.366 nan 8.270 nan 0.000 0.528 108 P HA 0.111 nan 4.420 nan 0.000 0.274 108 P C -1.869 175.405 177.300 -0.044 0.000 1.256 108 P CA -1.296 61.772 63.100 -0.054 0.000 0.795 108 P CB 0.263 31.932 31.700 -0.052 0.000 1.038 109 P HA -0.169 nan 4.420 nan 0.000 0.218 109 P C 0.978 178.258 177.300 -0.033 0.000 1.148 109 P CA 1.648 64.722 63.100 -0.042 0.000 0.822 109 P CB -0.110 31.561 31.700 -0.048 0.000 0.784 110 E N 0.087 120.267 120.200 -0.035 0.000 2.267 110 E HA -0.109 4.240 4.350 -0.001 0.000 0.197 110 E C 1.731 178.320 176.600 -0.019 0.000 0.998 110 E CA 0.828 57.212 56.400 -0.027 0.000 0.830 110 E CB -0.922 28.761 29.700 -0.028 0.000 0.751 110 E HN 0.334 nan 8.360 nan 0.000 0.491 111 L N 0.521 121.734 121.223 -0.017 0.000 2.769 111 L HA 0.195 4.534 4.340 -0.001 0.000 0.240 111 L C -0.169 176.696 176.870 -0.007 0.000 1.163 111 L CA -0.441 54.394 54.840 -0.009 0.000 0.962 111 L CB 0.312 42.370 42.059 -0.003 0.000 1.258 111 L HN 0.070 nan 8.230 nan 0.000 0.513 112 I N -0.461 120.102 120.570 -0.012 0.000 2.664 112 I HA 0.171 4.341 4.170 -0.001 0.000 0.308 112 I C 0.602 176.713 176.117 -0.010 0.000 0.984 112 I CA -0.404 60.890 61.300 -0.011 0.000 1.213 112 I CB 0.927 38.918 38.000 -0.014 0.000 1.379 112 I HN 0.091 nan 8.210 nan 0.000 0.501 113 D N 2.782 123.177 120.400 -0.008 0.000 2.733 113 D HA -0.204 4.435 4.640 -0.001 0.000 0.232 113 D C 0.661 176.957 176.300 -0.006 0.000 1.161 113 D CA 1.021 55.016 54.000 -0.007 0.000 0.653 113 D CB -0.966 39.829 40.800 -0.008 0.000 1.052 113 D HN 0.812 nan 8.370 nan 0.000 0.424 114 C N -3.575 115.722 119.300 -0.005 0.000 3.359 114 C HA 0.661 5.121 4.460 -0.001 0.000 0.258 114 C C 1.575 176.564 174.990 -0.002 0.000 1.840 114 C CA 0.241 59.256 59.018 -0.004 0.000 1.746 114 C CB -0.035 27.702 27.740 -0.006 0.000 3.306 114 C HN 0.672 nan 8.230 nan 0.000 0.485 115 G N 1.491 110.290 108.800 -0.001 0.000 2.225 115 G HA2 0.147 4.106 3.960 -0.001 0.000 0.267 115 G HA3 0.147 4.106 3.960 -0.001 0.000 0.267 115 G C 0.354 175.256 174.900 0.003 0.000 1.024 115 G CA 0.524 45.624 45.100 0.001 0.000 0.784 115 G HN 1.750 nan 8.290 nan 0.000 0.507 116 A N -0.445 122.377 122.820 0.003 0.000 2.386 116 A HA 0.566 4.885 4.320 -0.001 0.000 0.248 116 A C 0.704 178.294 177.584 0.010 0.000 1.082 116 A CA 0.118 52.159 52.037 0.007 0.000 0.789 116 A CB 0.320 19.324 19.000 0.007 0.000 1.025 116 A HN 0.619 nan 8.150 nan 0.000 0.490 117 N N 0.630 119.338 118.700 0.013 0.000 2.497 117 N HA 0.072 4.812 4.740 -0.001 0.000 0.268 117 N C 0.249 175.771 175.510 0.021 0.000 1.171 117 N CA 0.474 53.534 53.050 0.016 0.000 0.948 117 N CB 0.363 38.861 38.487 0.017 0.000 1.069 117 N HN 0.788 nan 8.380 nan 0.000 0.460 118 Q N 0.687 120.499 119.800 0.020 0.000 2.460 118 Q HA -0.233 4.107 4.340 -0.001 0.000 0.248 118 Q C -1.391 174.623 176.000 0.022 0.000 0.847 118 Q CA 0.742 56.560 55.803 0.024 0.000 1.214 118 Q CB -1.212 27.546 28.738 0.033 0.000 1.523 118 Q HN 0.658 nan 8.270 nan 0.000 0.602 119 A N 1.157 123.987 122.820 0.015 0.000 2.253 119 A HA 0.676 4.995 4.320 -0.001 0.000 0.316 119 A C 0.038 177.623 177.584 0.002 0.000 1.327 119 A CA -0.388 51.655 52.037 0.011 0.000 0.917 119 A CB 0.223 19.228 19.000 0.008 0.000 1.162 119 A HN 0.494 nan 8.150 nan 0.000 0.535 120 I N -1.103 119.465 120.570 -0.003 0.000 3.108 120 I HA 0.658 4.828 4.170 -0.001 0.000 0.312 120 I C -0.185 175.919 176.117 -0.022 0.000 1.095 120 I CA -1.460 59.831 61.300 -0.015 0.000 1.000 120 I CB 1.799 39.785 38.000 -0.023 0.000 1.229 120 I HN 0.447 nan 8.210 nan 0.000 0.454 121 R N 2.169 122.650 120.500 -0.031 0.000 2.288 121 R HA 0.192 4.531 4.340 -0.001 0.000 0.330 121 R C 0.242 176.509 176.300 -0.056 0.000 1.069 121 R CA 0.057 56.136 56.100 -0.035 0.000 0.941 121 R CB 0.845 31.126 30.300 -0.031 0.000 0.998 121 R HN 0.699 nan 8.270 nan 0.000 0.452 122 Q N 2.438 122.214 119.800 -0.039 0.000 2.287 122 Q HA 0.095 4.434 4.340 -0.001 0.000 0.201 122 Q C -1.610 174.397 176.000 0.012 0.000 0.946 122 Q CA -0.116 55.666 55.803 -0.034 0.000 0.868 122 Q CB -0.228 28.520 28.738 0.017 0.000 0.967 122 Q HN 0.414 nan 8.270 nan 0.000 0.516 123 P HA -0.066 nan 4.420 nan 0.000 0.263 123 P C 0.285 177.603 177.300 0.030 0.000 1.175 123 P CA 1.653 64.763 63.100 0.016 0.000 0.761 123 P CB 0.298 31.994 31.700 -0.006 0.000 0.794 124 G N 2.747 111.598 108.800 0.085 0.000 2.166 124 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.260 124 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.260 124 G C 1.075 175.959 174.900 -0.026 0.000 0.986 124 G CA 0.542 45.684 45.100 0.068 0.000 0.683 124 G HN 0.468 nan 8.290 nan 0.000 0.527 125 M N -1.294 118.190 119.600 -0.194 0.000 2.195 125 M HA -0.002 4.477 4.480 -0.001 0.000 0.260 125 M C 1.578 177.523 176.300 -0.593 0.000 1.066 125 M CA 1.612 56.606 55.300 -0.510 0.000 1.089 125 M CB -0.207 31.784 32.600 -1.015 0.000 1.377 125 M HN 0.287 nan 8.290 nan 0.000 0.411 126 F N -0.434 119.410 119.950 -0.176 0.000 2.641 126 F HA 0.440 4.965 4.527 -0.002 0.000 0.302 126 F C 1.402 177.321 175.800 0.199 0.000 1.098 126 F CA -0.065 57.831 58.000 -0.174 0.000 1.318 126 F CB -1.181 37.706 39.000 -0.189 0.000 1.035 126 F HN 0.164 nan 8.300 nan 0.000 0.551 127 A N 0.687 123.666 122.820 0.265 0.000 5.578 127 A HA -0.383 3.936 4.320 -0.001 0.000 0.312 127 A C 1.853 179.556 177.584 0.199 0.000 1.861 127 A CA 1.966 54.141 52.037 0.229 0.000 0.719 127 A CB -1.975 17.187 19.000 0.271 0.000 1.323 127 A HN 0.670 nan 8.150 nan 0.000 0.387 128 S N -0.880 114.874 115.700 0.090 0.000 2.660 128 S HA 0.026 4.495 4.470 -0.001 0.000 0.223 128 S C 1.300 175.864 174.600 -0.060 0.000 0.963 128 S CA 1.132 59.324 58.200 -0.013 0.000 0.932 128 S CB -0.570 62.572 63.200 -0.096 0.000 0.775 128 S HN 0.703 nan 8.310 nan 0.000 0.531 129 H N 2.339 121.506 119.070 0.162 0.000 2.363 129 H HA 0.175 4.731 4.556 -0.002 0.000 0.301 129 H C -1.528 173.842 175.328 0.071 0.000 1.074 129 H CA 0.508 56.636 56.048 0.133 0.000 1.354 129 H CB -1.466 28.440 29.762 0.239 0.000 1.397 129 H HN 0.453 nan 8.280 nan 0.000 0.516 130 P HA 0.065 nan 4.420 nan 0.000 0.274 130 P C 0.757 178.072 177.300 0.025 0.000 1.246 130 P CA 0.199 63.356 63.100 0.095 0.000 0.795 130 P CB 0.894 32.688 31.700 0.156 0.000 1.006 131 T N -1.473 113.044 114.554 -0.060 0.000 2.894 131 T HA 0.004 4.353 4.350 -0.001 0.000 0.258 131 T C 0.424 174.915 174.700 -0.350 0.000 1.043 131 T CA 1.363 63.330 62.100 -0.222 0.000 1.141 131 T CB -0.346 68.342 68.868 -0.300 0.000 0.873 131 T HN 0.451 nan 8.240 nan 0.000 0.449 132 H N 0.185 119.289 119.070 0.057 0.000 2.747 132 H HA 0.651 5.207 4.556 -0.001 0.000 0.371 132 H C -0.926 174.461 175.328 0.098 0.000 1.161 132 H CA -0.886 55.203 56.048 0.068 0.000 1.167 132 H CB 1.805 31.592 29.762 0.042 0.000 1.732 132 H HN -0.007 nan 8.280 nan 0.000 0.544 133 S N 2.265 118.105 115.700 0.233 0.000 2.779 133 S HA 0.401 4.870 4.470 -0.001 0.000 0.293 133 S C 0.107 174.759 174.600 0.087 0.000 1.150 133 S CA -0.648 57.653 58.200 0.169 0.000 1.057 133 S CB 0.638 63.950 63.200 0.188 0.000 1.021 133 S HN 0.358 nan 8.310 nan 0.000 0.485 134 I N 2.376 122.964 120.570 0.029 0.000 2.315 134 I HA 0.259 4.429 4.170 -0.001 0.000 0.291 134 I C 0.148 176.237 176.117 -0.047 0.000 1.006 134 I CA -0.187 61.116 61.300 0.005 0.000 1.265 134 I CB 1.388 39.383 38.000 -0.009 0.000 1.387 134 I HN 0.456 nan 8.210 nan 0.000 0.475 135 S N 7.542 123.244 115.700 0.004 0.000 2.695 135 S HA 0.408 4.877 4.470 -0.001 0.000 0.275 135 S C 0.108 174.758 174.600 0.084 0.000 1.203 135 S CA -0.636 57.560 58.200 -0.006 0.000 1.061 135 S CB -0.082 63.118 63.200 0.000 0.000 1.152 135 S HN 0.362 nan 8.310 nan 0.000 0.495 136 L N 4.825 126.113 121.223 0.108 0.000 2.506 136 L HA 0.166 4.505 4.340 -0.001 0.000 0.281 136 L C -1.480 175.487 176.870 0.161 0.000 1.228 136 L CA -1.218 53.771 54.840 0.247 0.000 0.850 136 L CB -0.077 42.164 42.059 0.303 0.000 1.110 136 L HN 0.289 nan 8.230 nan 0.000 0.496 137 P HA 0.094 nan 4.420 nan 0.000 0.277 137 P C -0.770 176.496 177.300 -0.056 0.000 1.271 137 P CA -0.779 62.348 63.100 0.046 0.000 0.795 137 P CB 0.538 32.240 31.700 0.005 0.000 1.101 138 R N 0.984 121.399 120.500 -0.142 0.000 2.502 138 R HA 0.108 4.447 4.340 -0.001 0.000 0.292 138 R C -1.877 174.173 176.300 -0.416 0.000 0.998 138 R CA -0.988 54.959 56.100 -0.255 0.000 1.056 138 R CB -0.812 29.381 30.300 -0.178 0.000 0.939 138 R HN 0.343 nan 8.270 nan 0.000 0.411 139 P HA -0.023 nan 4.420 nan 0.000 0.262 139 P C -0.968 176.071 177.300 -0.435 0.000 1.182 139 P CA 0.423 62.837 63.100 -1.143 0.000 0.761 139 P CB 1.132 32.166 31.700 -1.108 0.000 0.795 140 T N 1.404 115.833 114.554 -0.208 0.000 2.886 140 T HA 0.116 4.465 4.350 -0.001 0.000 0.330 140 T C 0.403 174.956 174.700 -0.245 0.000 1.488 140 T CA -0.591 61.314 62.100 -0.324 0.000 1.054 140 T CB 1.010 69.758 68.868 -0.199 0.000 1.348 140 T HN 0.294 nan 8.240 nan 0.000 0.489 141 Q N 1.219 120.616 119.800 -0.671 0.000 2.488 141 Q HA -0.009 4.330 4.340 -0.001 0.000 0.211 141 Q C 0.581 176.661 176.000 0.134 0.000 0.967 141 Q CA 0.669 56.252 55.803 -0.367 0.000 0.926 141 Q CB 0.199 28.659 28.738 -0.463 0.000 0.992 141 Q HN 0.609 nan 8.270 nan 0.000 0.506 142 D N 0.770 121.200 120.400 0.049 0.000 2.277 142 D HA 0.020 4.660 4.640 -0.001 0.000 0.208 142 D C 0.420 176.807 176.300 0.145 0.000 0.962 142 D CA 0.617 54.666 54.000 0.081 0.000 0.865 142 D CB 0.364 41.161 40.800 -0.004 0.000 0.939 142 D HN 0.233 nan 8.370 nan 0.000 0.510 143 I N 3.331 124.049 120.570 0.247 0.000 2.325 143 I HA 0.139 4.308 4.170 -0.001 0.000 0.291 143 I C -2.138 174.319 176.117 0.567 0.000 1.019 143 I CA -1.926 59.540 61.300 0.278 0.000 1.302 143 I CB 1.658 39.785 38.000 0.212 0.000 1.401 143 I HN -0.249 nan 8.210 nan 0.000 0.485 144 P HA 0.125 nan 4.420 nan 0.000 0.277 144 P C 0.323 177.537 177.300 -0.143 0.000 1.240 144 P CA -0.385 62.781 63.100 0.110 0.000 0.798 144 P CB 1.258 32.945 31.700 -0.021 0.000 0.979 145 A N 3.710 125.985 122.820 -0.908 0.000 1.986 145 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 145 A C 2.204 179.314 177.584 -0.791 0.000 1.171 145 A CA 2.003 53.395 52.037 -1.075 0.000 0.640 145 A CB -1.126 16.976 19.000 -1.498 0.000 0.811 145 A HN 0.704 nan 8.150 nan 0.000 0.451 146 R N -1.872 118.171 120.500 -0.761 0.000 2.091 146 R HA -0.230 4.110 4.340 -0.001 0.000 0.238 146 R C 2.058 178.077 176.300 -0.468 0.000 1.136 146 R CA 1.809 57.398 56.100 -0.853 0.000 0.959 146 R CB -0.853 29.184 30.300 -0.439 0.000 0.856 146 R HN 0.634 nan 8.270 nan 0.000 0.437 147 W N 1.657 122.759 121.300 -0.330 0.000 2.358 147 W HA -0.143 4.516 4.660 -0.001 0.000 0.303 147 W C 1.931 178.310 176.519 -0.234 0.000 1.208 147 W CA 1.186 58.417 57.345 -0.191 0.000 1.274 147 W CB -0.290 29.117 29.460 -0.088 0.000 1.138 147 W HN 0.139 nan 8.180 nan 0.000 0.515 148 L N 0.469 121.554 121.223 -0.230 0.000 1.994 148 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 148 L C 2.473 178.984 176.870 -0.598 0.000 1.071 148 L CA 2.373 56.933 54.840 -0.467 0.000 0.745 148 L CB -1.623 40.176 42.059 -0.432 0.000 0.892 148 L HN 0.033 nan 8.230 nan 0.000 0.431 149 V N -1.236 118.305 119.914 -0.621 0.000 2.427 149 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 149 V C 2.464 178.315 176.094 -0.404 0.000 1.051 149 V CA 2.033 63.992 62.300 -0.569 0.000 1.048 149 V CB -0.144 31.133 31.823 -0.909 0.000 0.666 149 V HN 0.659 nan 8.190 nan 0.000 0.456 150 S N 0.065 115.511 115.700 -0.423 0.000 2.370 150 S HA -0.213 4.257 4.470 -0.001 0.000 0.226 150 S C 1.909 176.331 174.600 -0.297 0.000 1.033 150 S CA 2.078 60.140 58.200 -0.230 0.000 1.011 150 S CB -0.629 62.462 63.200 -0.182 0.000 0.852 150 S HN 0.770 nan 8.310 nan 0.000 0.457 151 T N 2.603 116.814 114.554 -0.571 0.000 2.746 151 T HA 0.020 4.369 4.350 -0.001 0.000 0.267 151 T C 1.762 176.285 174.700 -0.296 0.000 1.039 151 T CA 1.162 62.932 62.100 -0.550 0.000 1.142 151 T CB -0.434 67.844 68.868 -0.983 0.000 0.866 151 T HN 0.329 nan 8.240 nan 0.000 0.444 152 I N 1.271 121.671 120.570 -0.283 0.000 2.252 152 I HA -0.144 4.026 4.170 -0.001 0.000 0.245 152 I C 2.272 178.295 176.117 -0.156 0.000 1.102 152 I CA 1.133 62.330 61.300 -0.172 0.000 1.385 152 I CB -0.363 37.564 38.000 -0.122 0.000 1.064 152 I HN 0.087 nan 8.210 nan 0.000 0.414 153 D N -0.267 120.085 120.400 -0.080 0.000 2.144 153 D HA -0.230 4.409 4.640 -0.001 0.000 0.199 153 D C 1.984 178.230 176.300 -0.089 0.000 0.984 153 D CA 1.392 55.395 54.000 0.005 0.000 0.834 153 D CB -0.402 40.498 40.800 0.167 0.000 0.955 153 D HN 0.450 nan 8.370 nan 0.000 0.465 154 H N 0.553 119.526 119.070 -0.162 0.000 2.353 154 H HA -0.016 4.540 4.556 -0.001 0.000 0.300 154 H C 1.825 176.997 175.328 -0.260 0.000 1.090 154 H CA 2.175 58.113 56.048 -0.183 0.000 1.327 154 H CB -0.031 29.609 29.762 -0.202 0.000 1.383 154 H HN 0.059 nan 8.280 nan 0.000 0.508 155 A N 0.813 123.439 122.820 -0.323 0.000 1.897 155 A HA -0.033 4.286 4.320 -0.001 0.000 0.215 155 A C 2.370 179.822 177.584 -0.220 0.000 1.181 155 A CA 1.250 53.065 52.037 -0.371 0.000 0.620 155 A CB -0.463 18.449 19.000 -0.148 0.000 0.821 155 A HN 0.439 nan 8.150 nan 0.000 0.443 156 L N -0.814 120.223 121.223 -0.311 0.000 2.049 156 L HA -0.032 4.307 4.340 -0.001 0.000 0.203 156 L C 2.823 179.511 176.870 -0.302 0.000 1.074 156 L CA 1.888 56.503 54.840 -0.376 0.000 0.749 156 L CB -1.892 39.705 42.059 -0.771 0.000 0.907 156 L HN 0.458 nan 8.230 nan 0.000 0.439 157 G N -0.046 108.559 108.800 -0.326 0.000 2.469 157 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.219 157 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.219 157 G C 1.434 176.294 174.900 -0.066 0.000 1.150 157 G CA 1.560 46.618 45.100 -0.070 0.000 0.763 157 G HN 0.488 nan 8.290 nan 0.000 0.561 158 T N -1.642 112.819 114.554 -0.155 0.000 3.169 158 T HA 0.352 4.701 4.350 -0.001 0.000 0.250 158 T C 0.804 175.546 174.700 0.069 0.000 1.111 158 T CA -0.386 61.669 62.100 -0.075 0.000 1.010 158 T CB 0.045 68.793 68.868 -0.201 0.000 0.984 158 T HN 0.079 nan 8.240 nan 0.000 0.537 159 L N 2.338 123.593 121.223 0.053 0.000 2.407 159 L HA 0.349 4.689 4.340 -0.001 0.000 0.282 159 L C 1.139 178.042 176.870 0.056 0.000 1.110 159 L CA -0.140 54.744 54.840 0.073 0.000 0.863 159 L CB 0.442 42.526 42.059 0.042 0.000 1.207 159 L HN 0.292 nan 8.230 nan 0.000 0.454 160 H N 4.499 123.556 119.070 -0.021 0.000 2.448 160 H HA 0.535 5.091 4.556 -0.001 0.000 0.292 160 H C 0.034 175.348 175.328 -0.025 0.000 1.035 160 H CA 0.721 56.757 56.048 -0.020 0.000 1.349 160 H CB 0.458 30.207 29.762 -0.022 0.000 1.425 160 H HN 0.715 nan 8.280 nan 0.000 0.539 161 A N -1.159 121.660 122.820 -0.002 0.000 2.594 161 A HA 0.537 4.856 4.320 -0.001 0.000 0.301 161 A C -0.092 177.476 177.584 -0.027 0.000 1.022 161 A CA -0.167 51.848 52.037 -0.037 0.000 0.738 161 A CB 0.174 19.181 19.000 0.012 0.000 1.263 161 A HN 0.983 nan 8.150 nan 0.000 0.409 162 G N -0.419 108.360 108.800 -0.035 0.000 2.655 162 G HA2 0.528 4.487 3.960 -0.001 0.000 0.680 162 G HA3 0.528 4.487 3.960 -0.001 0.000 0.680 162 G C 0.474 175.350 174.900 -0.040 0.000 1.302 162 G CA 0.058 45.136 45.100 -0.036 0.000 0.872 162 G HN 2.395 nan 8.290 nan 0.000 0.540 163 G N -1.624 107.154 108.800 -0.038 0.000 2.476 163 G HA2 0.658 4.617 3.960 -0.001 0.000 0.269 163 G HA3 0.658 4.617 3.960 -0.001 0.000 0.269 163 G C -0.376 174.528 174.900 0.005 0.000 1.195 163 G CA 0.207 45.288 45.100 -0.032 0.000 0.843 163 G HN 1.439 nan 8.290 nan 0.000 0.545 164 V N 2.019 121.957 119.914 0.040 0.000 2.407 164 V HA 0.232 4.351 4.120 -0.001 0.000 0.291 164 V C -0.213 175.981 176.094 0.167 0.000 1.018 164 V CA -0.775 61.589 62.300 0.107 0.000 0.842 164 V CB 1.273 33.153 31.823 0.096 0.000 0.996 164 V HN 0.880 nan 8.190 nan 0.000 0.426 165 H N 6.196 125.325 119.070 0.098 0.000 2.723 165 H HA 0.504 5.059 4.556 -0.001 0.000 0.294 165 H C -0.821 174.581 175.328 0.124 0.000 1.079 165 H CA -0.645 55.487 56.048 0.139 0.000 1.411 165 H CB 0.785 30.695 29.762 0.247 0.000 1.439 165 H HN 0.559 nan 8.280 nan 0.000 0.474 166 I N 5.300 125.946 120.570 0.125 0.000 2.428 166 I HA 0.044 4.213 4.170 -0.001 0.000 0.279 166 I C -0.222 175.858 176.117 -0.060 0.000 1.040 166 I CA -0.617 60.673 61.300 -0.016 0.000 1.171 166 I CB 0.907 38.941 38.000 0.057 0.000 1.312 166 I HN 0.575 nan 8.210 nan 0.000 0.470 167 N N 5.335 123.859 118.700 -0.294 0.000 2.430 167 N HA 0.241 4.980 4.740 -0.001 0.000 0.265 167 N C -0.992 174.490 175.510 -0.047 0.000 1.100 167 N CA -0.113 52.846 53.050 -0.150 0.000 0.961 167 N CB 0.613 38.959 38.487 -0.234 0.000 1.075 167 N HN 0.528 nan 8.380 nan 0.000 0.478 168 C N 6.126 125.415 119.300 -0.017 0.000 2.317 168 C HA 0.445 4.905 4.460 -0.001 0.000 0.306 168 C C -2.330 172.416 174.990 -0.407 0.000 1.087 168 C CA -1.744 57.184 59.018 -0.149 0.000 1.529 168 C CB 0.101 27.832 27.740 -0.015 0.000 1.880 168 C HN 0.627 nan 8.230 nan 0.000 0.417 169 P HA 0.396 nan 4.420 nan 0.000 0.275 169 P C -0.837 176.031 177.300 -0.720 0.000 1.227 169 P CA 0.082 62.967 63.100 -0.359 0.000 0.781 169 P CB 0.341 31.911 31.700 -0.217 0.000 0.906 170 F N 0.851 120.756 119.950 -0.076 0.000 2.562 170 F HA 0.548 5.075 4.527 -0.001 0.000 0.319 170 F C 0.466 176.209 175.800 -0.095 0.000 1.154 170 F CA -0.921 57.007 58.000 -0.119 0.000 0.931 170 F CB 1.210 40.153 39.000 -0.094 0.000 1.198 170 F HN 0.229 nan 8.300 nan 0.000 0.444 171 A N 2.728 125.576 122.820 0.046 0.000 2.366 171 A HA 0.562 4.881 4.320 -0.001 0.000 0.249 171 A C -0.091 177.511 177.584 0.030 0.000 1.084 171 A CA -0.479 51.568 52.037 0.016 0.000 0.794 171 A CB 0.308 19.290 19.000 -0.029 0.000 1.034 171 A HN 0.663 nan 8.150 nan 0.000 0.491 172 E N 1.527 121.737 120.200 0.016 0.000 2.171 172 E HA 0.628 4.977 4.350 -0.001 0.000 0.271 172 E C -3.018 173.586 176.600 0.006 0.000 0.916 172 E CA -1.877 54.528 56.400 0.008 0.000 0.774 172 E CB 1.079 30.796 29.700 0.027 0.000 1.128 172 E HN 0.325 nan 8.360 nan 0.000 0.403 173 P HA 0.420 nan 4.420 nan 0.000 0.304 173 P C -0.099 177.171 177.300 -0.050 0.000 1.365 173 P CA -0.732 62.378 63.100 0.017 0.000 0.935 173 P CB 1.494 33.208 31.700 0.023 0.000 1.091 174 L N 0.869 122.028 121.223 -0.106 0.000 2.693 174 L HA 0.272 4.611 4.340 -0.001 0.000 0.235 174 L C -0.148 176.281 176.870 -0.735 0.000 1.127 174 L CA 0.217 54.784 54.840 -0.455 0.000 0.914 174 L CB -0.136 41.553 42.059 -0.618 0.000 1.193 174 L HN 0.392 nan 8.230 nan 0.000 0.502 179 D N 1.520 121.935 120.400 0.024 0.000 2.403 179 D HA 0.275 4.914 4.640 -0.001 0.000 0.278 179 D C -0.263 176.056 176.300 0.032 0.000 1.230 179 D CA 0.338 54.354 54.000 0.027 0.000 1.062 179 D CB 0.725 41.544 40.800 0.031 0.000 1.119 179 D HN 0.666 nan 8.370 nan 0.000 0.557 180 D N -1.487 118.936 120.400 0.038 0.000 2.463 180 D HA 0.122 4.761 4.640 -0.001 0.000 0.224 180 D C 1.029 177.375 176.300 0.077 0.000 1.174 180 D CA 0.110 54.139 54.000 0.048 0.000 0.829 180 D CB 0.328 41.151 40.800 0.039 0.000 0.993 180 D HN 0.136 nan 8.370 nan 0.000 0.497 181 T N -0.713 113.890 114.554 0.082 0.000 2.607 181 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 181 T C 1.961 176.773 174.700 0.186 0.000 1.049 181 T CA 1.579 63.741 62.100 0.105 0.000 1.162 181 T CB -0.367 68.558 68.868 0.096 0.000 0.863 181 T HN 0.338 nan 8.240 nan 0.000 0.424 182 G N 0.041 108.990 108.800 0.248 0.000 3.088 182 G HA2 0.248 4.207 3.960 -0.001 0.000 0.212 182 G HA3 0.248 4.207 3.960 -0.001 0.000 0.212 182 G C 1.255 176.389 174.900 0.390 0.000 1.173 182 G CA -0.153 45.179 45.100 0.387 0.000 0.779 182 G HN 0.322 nan 8.290 nan 0.000 0.540 183 L N 1.648 123.016 121.223 0.241 0.000 1.961 183 L HA -0.039 4.301 4.340 -0.001 0.000 0.209 183 L C 3.168 180.150 176.870 0.187 0.000 1.075 183 L CA 2.551 57.487 54.840 0.160 0.000 0.749 183 L CB -0.709 41.397 42.059 0.078 0.000 0.890 183 L HN 0.260 nan 8.230 nan 0.000 0.433 184 S N -1.391 114.418 115.700 0.183 0.000 2.402 184 S HA -0.329 4.140 4.470 -0.001 0.000 0.233 184 S C 1.899 176.644 174.600 0.241 0.000 1.030 184 S CA 1.449 59.752 58.200 0.172 0.000 1.003 184 S CB -1.674 61.613 63.200 0.145 0.000 0.813 184 S HN 0.666 nan 8.310 nan 0.000 0.477 185 W N 2.201 123.584 121.300 0.137 0.000 2.363 185 W HA -0.085 4.574 4.660 -0.001 0.000 0.296 185 W C 2.459 179.080 176.519 0.170 0.000 1.212 185 W CA 1.611 59.063 57.345 0.179 0.000 1.260 185 W CB -0.263 29.377 29.460 0.300 0.000 1.131 185 W HN 0.340 nan 8.180 nan 0.000 0.530 186 Q N -0.310 119.723 119.800 0.387 0.000 2.123 186 Q HA -0.228 4.112 4.340 -0.001 0.000 0.199 186 Q C 2.127 178.281 176.000 0.257 0.000 0.966 186 Q CA 1.530 57.486 55.803 0.254 0.000 0.845 186 Q CB -0.412 28.448 28.738 0.204 0.000 0.907 186 Q HN 0.484 nan 8.270 nan 0.000 0.439 187 Q N -0.083 119.804 119.800 0.145 0.000 2.488 187 Q HA -0.022 4.318 4.340 -0.001 0.000 0.211 187 Q C 1.558 177.649 176.000 0.151 0.000 0.967 187 Q CA 0.166 56.059 55.803 0.149 0.000 0.926 187 Q CB 0.239 29.027 28.738 0.084 0.000 0.992 187 Q HN 0.147 nan 8.270 nan 0.000 0.506 188 R N 0.354 120.890 120.500 0.060 0.000 2.293 188 R HA -0.059 4.280 4.340 -0.001 0.000 0.219 188 R C 1.551 177.856 176.300 0.009 0.000 1.091 188 R CA 0.747 56.848 56.100 0.002 0.000 1.004 188 R CB -0.249 29.974 30.300 -0.128 0.000 0.865 188 R HN 0.360 nan 8.270 nan 0.000 0.469 189 L N -0.254 120.993 121.223 0.040 0.000 2.599 189 L HA 0.092 4.431 4.340 -0.001 0.000 0.230 189 L C 1.417 178.532 176.870 0.408 0.000 1.141 189 L CA 0.319 55.169 54.840 0.016 0.000 0.877 189 L CB -0.748 41.139 42.059 -0.286 0.000 1.009 189 L HN 0.240 nan 8.230 nan 0.000 0.447 190 G N 2.362 111.384 108.800 0.370 0.000 2.602 190 G HA2 -0.448 3.511 3.960 -0.001 0.000 0.306 190 G HA3 -0.448 3.511 3.960 -0.001 0.000 0.306 190 G C 0.428 175.559 174.900 0.386 0.000 1.301 190 G CA 0.695 45.993 45.100 0.330 0.000 0.974 190 G HN 0.611 nan 8.290 nan 0.000 0.547 191 D N -0.517 120.049 120.400 0.277 0.000 2.392 191 D HA 0.012 4.651 4.640 -0.001 0.000 0.228 191 D C 1.598 178.032 176.300 0.224 0.000 1.003 191 D CA 1.268 55.400 54.000 0.221 0.000 0.917 191 D CB -0.372 40.504 40.800 0.127 0.000 0.890 191 D HN 0.607 nan 8.370 nan 0.000 0.532 192 W N 0.330 121.699 121.300 0.114 0.000 2.364 192 W HA -0.099 4.561 4.660 -0.001 0.000 0.281 192 W C 1.004 177.463 176.519 -0.101 0.000 1.219 192 W CA 0.809 58.160 57.345 0.009 0.000 1.220 192 W CB -0.379 29.123 29.460 0.070 0.000 1.127 192 W HN 0.027 nan 8.180 nan 0.000 0.556 193 W N -0.010 121.340 121.300 0.083 0.000 2.425 193 W HA -0.115 4.544 4.660 -0.001 0.000 0.277 193 W C 1.831 178.223 176.519 -0.212 0.000 1.231 193 W CA 1.177 58.446 57.345 -0.126 0.000 1.248 193 W CB -0.418 29.079 29.460 0.062 0.000 1.117 193 W HN -0.064 nan 8.180 nan 0.000 0.568 194 Q N -0.665 119.165 119.800 0.050 0.000 2.198 194 Q HA 0.082 4.421 4.340 -0.001 0.000 0.209 194 Q C 0.011 175.953 176.000 -0.098 0.000 0.848 194 Q CA 0.056 55.853 55.803 -0.010 0.000 0.974 194 Q CB 0.370 29.131 28.738 0.038 0.000 1.115 194 Q HN -0.036 nan 8.270 nan 0.000 0.494 195 D N -0.416 119.860 120.400 -0.206 0.000 2.466 195 D HA 0.084 4.723 4.640 -0.001 0.000 0.262 195 D C 0.089 176.215 176.300 -0.291 0.000 1.177 195 D CA -0.252 53.616 54.000 -0.220 0.000 1.035 195 D CB 1.194 41.877 40.800 -0.195 0.000 1.105 195 D HN -0.148 nan 8.370 nan 0.000 0.551 196 D N -0.912 119.354 120.400 -0.222 0.000 2.479 196 D HA 0.136 4.776 4.640 -0.001 0.000 0.221 196 D C -0.524 175.662 176.300 -0.191 0.000 1.104 196 D CA 0.290 54.175 54.000 -0.191 0.000 0.849 196 D CB 0.504 41.229 40.800 -0.125 0.000 1.072 196 D HN 0.169 nan 8.370 nan 0.000 0.502 197 K N 0.706 121.002 120.400 -0.174 0.000 2.328 197 K HA 0.499 4.818 4.320 -0.001 0.000 0.246 197 K C -2.627 173.964 176.600 -0.015 0.000 0.955 197 K CA -2.005 54.218 56.287 -0.107 0.000 0.817 197 K CB 2.161 34.628 32.500 -0.055 0.000 1.208 197 K HN -0.185 nan 8.250 nan 0.000 0.432 198 P HA -0.166 nan 4.420 nan 0.000 0.270 198 P C 0.034 177.543 177.300 0.347 0.000 1.221 198 P CA -0.022 63.170 63.100 0.154 0.000 0.788 198 P CB 0.463 32.178 31.700 0.024 0.000 0.904 199 W N 2.677 124.051 121.300 0.123 0.000 2.407 199 W HA -0.000 4.659 4.660 -0.001 0.000 0.305 199 W C -0.216 176.255 176.519 -0.080 0.000 1.196 199 W CA 0.818 58.082 57.345 -0.134 0.000 1.311 199 W CB -0.105 29.017 29.460 -0.562 0.000 1.135 199 W HN 0.158 nan 8.180 nan 0.000 0.514 200 L N 2.333 123.624 121.223 0.112 0.000 2.349 200 L HA 0.443 4.783 4.340 -0.001 0.000 0.278 200 L C -0.500 176.408 176.870 0.064 0.000 0.996 200 L CA -0.546 54.302 54.840 0.014 0.000 0.825 200 L CB 1.489 43.589 42.059 0.068 0.000 1.243 200 L HN -0.180 nan 8.230 nan 0.000 0.412 201 R N 4.413 124.926 120.500 0.022 0.000 2.229 201 R HA 0.414 4.753 4.340 -0.001 0.000 0.332 201 R C -0.810 175.512 176.300 0.038 0.000 0.989 201 R CA -0.429 55.699 56.100 0.047 0.000 0.842 201 R CB 1.271 31.579 30.300 0.015 0.000 1.119 201 R HN 0.600 nan 8.270 nan 0.000 0.456 202 E N 2.340 122.572 120.200 0.053 0.000 2.373 202 E HA 0.359 4.708 4.350 -0.001 0.000 0.251 202 E C -1.296 175.317 176.600 0.023 0.000 0.923 202 E CA -0.386 56.034 56.400 0.033 0.000 0.798 202 E CB 1.454 31.179 29.700 0.041 0.000 1.303 202 E HN 0.762 nan 8.360 nan 0.000 0.412 203 A N 5.312 128.148 122.820 0.026 0.000 3.176 203 A HA 0.334 4.654 4.320 -0.001 0.000 0.265 203 A C -2.258 175.344 177.584 0.030 0.000 0.936 203 A CA -0.875 51.181 52.037 0.032 0.000 1.033 203 A CB 0.074 19.099 19.000 0.042 0.000 1.158 203 A HN 0.456 nan 8.150 nan 0.000 0.485 204 P HA 0.198 nan 4.420 nan 0.000 0.268 204 P C -0.487 176.837 177.300 0.041 0.000 1.205 204 P CA 0.116 63.233 63.100 0.028 0.000 0.771 204 P CB 0.607 32.321 31.700 0.023 0.000 0.858 205 R N 1.425 121.948 120.500 0.038 0.000 2.357 205 R HA 0.450 4.789 4.340 -0.001 0.000 0.296 205 R C -0.361 175.960 176.300 0.035 0.000 1.052 205 R CA -0.903 55.228 56.100 0.051 0.000 0.988 205 R CB 0.630 30.956 30.300 0.044 0.000 1.025 205 R HN 0.350 nan 8.270 nan 0.000 0.469 206 L N 2.738 123.986 121.223 0.041 0.000 2.318 206 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 206 L C -0.781 176.081 176.870 -0.014 0.000 1.008 206 L CA 0.235 55.055 54.840 -0.033 0.000 0.846 206 L CB 1.022 42.979 42.059 -0.170 0.000 1.220 206 L HN 0.610 nan 8.230 nan 0.000 0.423 207 E N 2.364 122.562 120.200 -0.003 0.000 2.366 207 E HA 0.402 4.751 4.350 -0.001 0.000 0.278 207 E C -1.166 175.448 176.600 0.022 0.000 0.923 207 E CA -0.718 55.697 56.400 0.026 0.000 0.761 207 E CB 2.269 31.999 29.700 0.050 0.000 1.231 207 E HN 0.473 nan 8.360 nan 0.000 0.443 208 S N 1.611 117.337 115.700 0.044 0.000 2.565 208 S HA 0.074 4.543 4.470 -0.001 0.000 0.274 208 S C -0.147 174.506 174.600 0.088 0.000 1.309 208 S CA -0.566 57.664 58.200 0.051 0.000 1.043 208 S CB 0.584 63.810 63.200 0.043 0.000 0.939 208 S HN 0.446 nan 8.310 nan 0.000 0.504 209 E N 2.234 122.473 120.200 0.065 0.000 2.392 209 E HA 0.133 4.482 4.350 -0.001 0.000 0.259 209 E C -0.086 176.582 176.600 0.114 0.000 1.108 209 E CA -0.721 55.718 56.400 0.065 0.000 0.916 209 E CB 0.475 30.201 29.700 0.043 0.000 0.989 209 E HN 0.451 nan 8.360 nan 0.000 0.432 210 K N 1.450 121.898 120.400 0.079 0.000 2.561 210 K HA -0.107 4.212 4.320 -0.001 0.000 0.280 210 K C -0.331 176.395 176.600 0.210 0.000 0.975 210 K CA 0.192 56.535 56.287 0.094 0.000 1.024 210 K CB 0.504 32.960 32.500 -0.073 0.000 0.883 210 K HN 0.433 nan 8.250 nan 0.000 0.496 211 Q N 4.060 124.120 119.800 0.434 0.000 2.322 211 Q HA 0.088 4.427 4.340 -0.001 0.000 0.256 211 Q C 0.338 176.573 176.000 0.393 0.000 0.960 211 Q CA 0.089 56.090 55.803 0.330 0.000 0.934 211 Q CB 1.305 30.200 28.738 0.261 0.000 1.200 211 Q HN 0.614 nan 8.270 nan 0.000 0.435 212 R N 1.184 121.848 120.500 0.274 0.000 2.276 212 R HA -0.079 4.260 4.340 -0.001 0.000 0.203 212 R C 0.486 176.959 176.300 0.290 0.000 1.017 212 R CA 0.950 57.177 56.100 0.212 0.000 1.010 212 R CB 0.350 30.718 30.300 0.115 0.000 0.900 212 R HN 0.553 nan 8.270 nan 0.000 0.469 213 D N -0.394 120.276 120.400 0.450 0.000 2.342 213 D HA -0.134 4.505 4.640 -0.001 0.000 0.221 213 D C 1.226 178.046 176.300 0.868 0.000 1.101 213 D CA -0.295 54.040 54.000 0.558 0.000 0.837 213 D CB -0.555 40.578 40.800 0.556 0.000 0.938 213 D HN 0.310 nan 8.370 nan 0.000 0.508 214 W N 0.480 122.194 121.300 0.691 0.000 2.338 214 W HA -0.231 4.428 4.660 -0.002 0.000 0.304 214 W C 0.398 177.330 176.519 0.687 0.000 1.212 214 W CA 0.546 58.362 57.345 0.786 0.000 1.264 214 W CB -0.189 29.730 29.460 0.766 0.000 1.142 214 W HN -0.111 nan 8.180 nan 0.000 0.512 215 F N -0.032 119.954 119.950 0.059 0.000 2.451 215 F HA -0.112 4.414 4.527 -0.001 0.000 0.299 215 F C 2.069 177.793 175.800 -0.126 0.000 1.101 215 F CA 0.883 58.777 58.000 -0.177 0.000 1.436 215 F CB -1.614 37.367 39.000 -0.031 0.000 1.074 215 F HN -0.093 nan 8.300 nan 0.000 0.553 216 F N -1.333 118.631 119.950 0.023 0.000 2.179 216 F HA -0.046 4.480 4.527 -0.002 0.000 0.292 216 F C 1.904 177.546 175.800 -0.264 0.000 1.089 216 F CA 1.046 58.944 58.000 -0.169 0.000 1.295 216 F CB -0.761 38.080 39.000 -0.266 0.000 1.041 216 F HN -0.112 nan 8.300 nan 0.000 0.487 217 W N 1.856 123.096 121.300 -0.100 0.000 2.381 217 W HA -0.074 4.586 4.660 -0.001 0.000 0.301 217 W C 2.637 178.968 176.519 -0.313 0.000 1.205 217 W CA 1.502 58.706 57.345 -0.235 0.000 1.285 217 W CB -0.525 28.999 29.460 0.107 0.000 1.133 217 W HN -0.019 nan 8.180 nan 0.000 0.521 218 R N 1.048 121.247 120.500 -0.502 0.000 2.355 218 R HA -0.170 4.169 4.340 -0.001 0.000 0.219 218 R C 1.174 177.311 176.300 -0.270 0.000 1.107 218 R CA 1.568 57.255 56.100 -0.689 0.000 1.021 218 R CB -0.640 28.746 30.300 -1.522 0.000 0.852 218 R HN 0.324 nan 8.270 nan 0.000 0.475 219 Q N 0.149 119.789 119.800 -0.267 0.000 2.319 219 Q HA 0.142 4.482 4.340 -0.001 0.000 0.202 219 Q C -0.154 175.722 176.000 -0.206 0.000 0.896 219 Q CA -0.042 55.634 55.803 -0.211 0.000 0.942 219 Q CB 0.576 29.163 28.738 -0.252 0.000 1.083 219 Q HN 0.104 nan 8.270 nan 0.000 0.510 220 K N 1.085 121.360 120.400 -0.210 0.000 2.117 220 K HA 0.246 4.566 4.320 -0.001 0.000 0.240 220 K C 0.091 176.424 176.600 -0.445 0.000 1.031 220 K CA -0.353 55.747 56.287 -0.312 0.000 0.909 220 K CB 0.431 32.781 32.500 -0.250 0.000 1.097 220 K HN 0.001 nan 8.250 nan 0.000 0.492 221 R N 0.689 120.765 120.500 -0.706 0.000 2.351 221 R HA 0.200 4.539 4.340 -0.001 0.000 0.321 221 R C 0.453 176.101 176.300 -1.086 0.000 1.182 221 R CA -0.094 55.239 56.100 -1.278 0.000 1.011 221 R CB -0.227 29.150 30.300 -1.539 0.000 1.048 221 R HN 0.566 nan 8.270 nan 0.000 0.490 222 G N 1.342 109.155 108.800 -1.644 0.000 2.417 222 G HA2 0.473 4.433 3.960 -0.001 0.000 0.334 222 G HA3 0.473 4.433 3.960 -0.001 0.000 0.334 222 G C -0.661 173.781 174.900 -0.765 0.000 1.150 222 G CA -0.430 43.488 45.100 -1.970 0.000 0.923 222 G HN 0.261 nan 8.290 nan 0.000 0.485 223 V N 0.902 120.682 119.914 -0.223 0.000 2.581 223 V HA 0.482 4.601 4.120 -0.001 0.000 0.303 223 V C -0.122 176.150 176.094 0.297 0.000 1.041 223 V CA -0.668 61.713 62.300 0.135 0.000 0.907 223 V CB 1.778 33.727 31.823 0.210 0.000 0.994 223 V HN 0.526 nan 8.190 nan 0.000 0.442 224 V N 4.678 124.819 119.914 0.380 0.000 2.417 224 V HA 0.502 4.621 4.120 -0.001 0.000 0.291 224 V C -0.269 175.968 176.094 0.237 0.000 1.024 224 V CA -0.569 61.965 62.300 0.391 0.000 0.861 224 V CB 1.706 33.827 31.823 0.496 0.000 0.985 224 V HN 0.594 nan 8.190 nan 0.000 0.436 225 V N 3.906 123.927 119.914 0.180 0.000 2.409 225 V HA 0.780 4.899 4.120 -0.001 0.000 0.291 225 V C 0.300 176.452 176.094 0.096 0.000 1.020 225 V CA -0.508 61.874 62.300 0.136 0.000 0.848 225 V CB 1.692 33.604 31.823 0.149 0.000 0.990 225 V HN 0.987 nan 8.190 nan 0.000 0.430 226 A N 3.811 126.679 122.820 0.080 0.000 2.273 226 A HA 0.880 5.200 4.320 -0.001 0.000 0.315 226 A C 0.411 178.010 177.584 0.026 0.000 1.256 226 A CA 0.115 52.180 52.037 0.046 0.000 0.851 226 A CB 1.078 20.109 19.000 0.053 0.000 1.172 226 A HN 0.976 nan 8.150 nan 0.000 0.508 227 G N 0.698 109.503 108.800 0.008 0.000 2.857 227 G HA2 0.475 4.435 3.960 -0.001 0.000 0.217 227 G HA3 0.475 4.435 3.960 -0.001 0.000 0.217 227 G C 0.038 174.929 174.900 -0.015 0.000 1.357 227 G CA -0.880 44.220 45.100 0.000 0.000 1.033 227 G HN 0.842 nan 8.290 nan 0.000 0.571 228 R N 0.269 120.758 120.500 -0.018 0.000 2.522 228 R HA 0.313 4.652 4.340 -0.001 0.000 0.284 228 R C -0.038 176.247 176.300 -0.025 0.000 1.032 228 R CA 0.698 56.784 56.100 -0.024 0.000 1.049 228 R CB -0.202 30.090 30.300 -0.014 0.000 0.956 228 R HN 0.612 nan 8.270 nan 0.000 0.422 229 M N 0.604 120.185 119.600 -0.031 0.000 3.008 229 M HA 0.293 4.772 4.480 -0.001 0.000 0.271 229 M C -0.667 175.614 176.300 -0.032 0.000 1.265 229 M CA -1.060 54.223 55.300 -0.029 0.000 0.817 229 M CB 1.399 33.977 32.600 -0.037 0.000 1.638 229 M HN 0.486 nan 8.290 nan 0.000 0.479 230 S N 0.673 116.361 115.700 -0.021 0.000 2.584 230 S HA 0.548 5.017 4.470 -0.001 0.000 0.270 230 S C 1.021 175.592 174.600 -0.049 0.000 1.346 230 S CA -0.067 58.119 58.200 -0.022 0.000 1.018 230 S CB 1.194 64.395 63.200 0.001 0.000 0.899 230 S HN 0.974 nan 8.310 nan 0.000 0.542 231 A N 1.455 124.232 122.820 -0.073 0.000 1.902 231 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 231 A C 2.207 179.764 177.584 -0.044 0.000 1.181 231 A CA 1.348 53.337 52.037 -0.080 0.000 0.623 231 A CB -0.870 18.059 19.000 -0.119 0.000 0.818 231 A HN 0.877 nan 8.150 nan 0.000 0.443 232 E N 0.123 120.304 120.200 -0.032 0.000 2.077 232 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 232 E C 1.880 178.473 176.600 -0.011 0.000 0.989 232 E CA 1.469 57.859 56.400 -0.017 0.000 0.800 232 E CB -0.418 29.275 29.700 -0.010 0.000 0.746 232 E HN 0.786 nan 8.360 nan 0.000 0.452 233 E N 0.033 120.223 120.200 -0.017 0.000 2.118 233 E HA -0.136 4.213 4.350 -0.001 0.000 0.195 233 E C 2.112 178.703 176.600 -0.016 0.000 0.992 233 E CA 0.968 57.356 56.400 -0.020 0.000 0.804 233 E CB -0.296 29.387 29.700 -0.028 0.000 0.741 233 E HN 0.320 nan 8.360 nan 0.000 0.458 234 G N 1.566 110.357 108.800 -0.016 0.000 2.446 234 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.217 234 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.217 234 G C 1.408 176.317 174.900 0.015 0.000 1.168 234 G CA 0.883 45.981 45.100 -0.004 0.000 0.771 234 G HN 0.128 nan 8.290 nan 0.000 0.551 235 K N 0.396 120.803 120.400 0.011 0.000 2.032 235 K HA -0.093 4.227 4.320 -0.001 0.000 0.209 235 K C 2.635 179.261 176.600 0.043 0.000 1.048 235 K CA 1.506 57.806 56.287 0.023 0.000 0.927 235 K CB -0.176 32.332 32.500 0.013 0.000 0.712 235 K HN 0.213 nan 8.250 nan 0.000 0.441 236 K N 0.517 120.939 120.400 0.036 0.000 2.097 236 K HA -0.097 4.222 4.320 -0.001 0.000 0.206 236 K C 2.054 178.714 176.600 0.100 0.000 1.049 236 K CA 1.030 57.351 56.287 0.056 0.000 0.933 236 K CB -0.105 32.410 32.500 0.024 0.000 0.717 236 K HN -0.073 nan 8.250 nan 0.000 0.442 237 V N 1.443 121.396 119.914 0.065 0.000 2.343 237 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 237 V C 2.331 178.555 176.094 0.216 0.000 1.051 237 V CA 2.017 64.389 62.300 0.120 0.000 1.036 237 V CB -0.739 31.115 31.823 0.051 0.000 0.654 237 V HN 0.381 nan 8.190 nan 0.000 0.451 238 A N 0.109 123.010 122.820 0.135 0.000 1.859 238 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 238 A C 2.211 179.871 177.584 0.128 0.000 1.198 238 A CA 2.154 54.260 52.037 0.116 0.000 0.629 238 A CB -0.703 18.337 19.000 0.067 0.000 0.830 238 A HN 0.480 nan 8.150 nan 0.000 0.446 239 L N -2.766 118.530 121.223 0.123 0.000 2.042 239 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 239 L C 2.568 179.525 176.870 0.146 0.000 1.076 239 L CA 1.961 56.865 54.840 0.107 0.000 0.749 239 L CB -0.679 41.439 42.059 0.098 0.000 0.893 239 L HN 0.759 nan 8.230 nan 0.000 0.432 240 W N 1.003 122.307 121.300 0.006 0.000 2.332 240 W HA -0.267 4.391 4.660 -0.002 0.000 0.321 240 W C 2.686 179.184 176.519 -0.035 0.000 1.219 240 W CA 2.306 59.651 57.345 -0.001 0.000 1.277 240 W CB -0.337 29.143 29.460 0.035 0.000 1.161 240 W HN 0.110 nan 8.180 nan 0.000 0.476 241 A N -0.214 122.738 122.820 0.220 0.000 1.940 241 A HA -0.307 4.012 4.320 -0.001 0.000 0.219 241 A C 2.021 179.571 177.584 -0.056 0.000 1.176 241 A CA 2.026 54.077 52.037 0.024 0.000 0.631 241 A CB -1.139 17.994 19.000 0.222 0.000 0.814 241 A HN 0.582 nan 8.150 nan 0.000 0.446 242 Q N -0.816 118.983 119.800 -0.002 0.000 2.050 242 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 242 Q C 2.153 178.108 176.000 -0.075 0.000 0.980 242 Q CA 2.181 57.971 55.803 -0.023 0.000 0.840 242 Q CB -0.315 28.424 28.738 0.001 0.000 0.898 242 Q HN 0.677 nan 8.270 nan 0.000 0.424 243 T N 1.885 116.373 114.554 -0.110 0.000 2.580 243 T HA -0.193 4.156 4.350 -0.001 0.000 0.265 243 T C 1.881 176.435 174.700 -0.243 0.000 1.063 243 T CA 1.489 63.493 62.100 -0.161 0.000 1.170 243 T CB -0.494 68.271 68.868 -0.172 0.000 0.863 243 T HN 0.275 nan 8.240 nan 0.000 0.418 244 L N 0.713 121.671 121.223 -0.443 0.000 2.270 244 L HA -0.084 4.255 4.340 -0.001 0.000 0.217 244 L C 2.090 178.837 176.870 -0.206 0.000 1.107 244 L CA 1.044 55.519 54.840 -0.608 0.000 0.772 244 L CB -1.065 40.161 42.059 -1.389 0.000 0.902 244 L HN 0.666 nan 8.230 nan 0.000 0.439 245 G N -1.919 106.851 108.800 -0.049 0.000 2.160 245 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.251 245 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.251 245 G C -0.311 174.801 174.900 0.354 0.000 1.008 245 G CA -0.178 45.003 45.100 0.134 0.000 0.724 245 G HN 0.198 nan 8.290 nan 0.000 0.514 246 W N 0.885 122.184 121.300 -0.001 0.000 2.376 246 W HA 0.567 5.226 4.660 -0.000 0.000 0.322 246 W C -1.657 174.810 176.519 -0.086 0.000 1.160 246 W CA -3.107 54.261 57.345 0.039 0.000 1.218 246 W CB 0.480 30.002 29.460 0.104 0.000 1.205 246 W HN 0.014 nan 8.180 nan 0.000 0.559 247 P HA 0.101 nan 4.420 nan 0.000 0.276 247 P C -0.833 176.508 177.300 0.069 0.000 1.235 247 P CA -0.242 62.806 63.100 -0.085 0.000 0.772 247 P CB 1.263 32.799 31.700 -0.272 0.000 0.871 248 L N 5.226 126.492 121.223 0.073 0.000 2.265 248 L HA 0.406 4.745 4.340 -0.001 0.000 0.289 248 L C -0.410 176.534 176.870 0.124 0.000 1.033 248 L CA -0.504 54.411 54.840 0.125 0.000 0.814 248 L CB 0.205 42.339 42.059 0.125 0.000 1.203 248 L HN 0.240 nan 8.230 nan 0.000 0.423 249 I N 5.571 126.218 120.570 0.129 0.000 2.291 249 I HA 0.395 4.564 4.170 -0.001 0.000 0.290 249 I C 0.660 176.827 176.117 0.083 0.000 1.050 249 I CA -0.275 61.093 61.300 0.113 0.000 1.245 249 I CB 0.975 39.003 38.000 0.048 0.000 1.405 249 I HN 0.782 nan 8.210 nan 0.000 0.478 250 G N 4.120 112.963 108.800 0.072 0.000 2.437 250 G HA2 0.276 4.236 3.960 -0.001 0.000 0.315 250 G HA3 0.276 4.236 3.960 -0.001 0.000 0.315 250 G C -0.644 174.268 174.900 0.021 0.000 1.210 250 G CA -0.393 44.735 45.100 0.048 0.000 0.943 250 G HN 0.548 nan 8.290 nan 0.000 0.471 251 D N 1.121 121.526 120.400 0.009 0.000 2.390 251 D HA 0.026 4.665 4.640 -0.001 0.000 0.236 251 D C 2.074 178.363 176.300 -0.018 0.000 1.189 251 D CA 0.194 54.188 54.000 -0.010 0.000 0.887 251 D CB 1.288 42.083 40.800 -0.010 0.000 1.198 251 D HN 0.219 nan 8.370 nan 0.000 0.444 252 V N 1.020 120.916 119.914 -0.030 0.000 2.527 252 V HA -0.260 3.859 4.120 -0.001 0.000 0.255 252 V C 1.909 177.976 176.094 -0.045 0.000 1.081 252 V CA 1.581 63.858 62.300 -0.038 0.000 1.092 252 V CB -1.091 30.703 31.823 -0.049 0.000 0.673 252 V HN 0.524 nan 8.190 nan 0.000 0.470 253 L N 1.349 122.545 121.223 -0.046 0.000 2.558 253 L HA 0.068 4.407 4.340 -0.001 0.000 0.225 253 L C 2.629 179.467 176.870 -0.053 0.000 1.128 253 L CA 0.876 55.681 54.840 -0.058 0.000 0.868 253 L CB -0.421 41.605 42.059 -0.054 0.000 1.006 253 L HN 0.526 nan 8.230 nan 0.000 0.454 254 S N -0.155 115.525 115.700 -0.033 0.000 2.377 254 S HA -0.163 4.307 4.470 -0.001 0.000 0.223 254 S C 1.070 175.654 174.600 -0.026 0.000 1.030 254 S CA 0.459 58.645 58.200 -0.022 0.000 0.970 254 S CB -0.098 63.102 63.200 -0.000 0.000 0.830 254 S HN 0.523 nan 8.310 nan 0.000 0.473 255 Q N 0.403 120.189 119.800 -0.023 0.000 2.504 255 Q HA -0.130 4.210 4.340 -0.001 0.000 0.274 255 Q C 0.818 176.818 176.000 0.000 0.000 1.103 255 Q CA 0.931 56.725 55.803 -0.015 0.000 0.962 255 Q CB -2.768 25.946 28.738 -0.041 0.000 1.322 255 Q HN 0.889 nan 8.270 nan 0.000 0.500 256 T N -5.056 109.504 114.554 0.009 0.000 3.054 256 T HA 0.348 4.697 4.350 -0.001 0.000 0.259 256 T C 1.581 176.293 174.700 0.020 0.000 1.092 256 T CA 0.803 62.917 62.100 0.023 0.000 1.121 256 T CB 0.625 69.516 68.868 0.040 0.000 0.912 256 T HN 1.061 nan 8.240 nan 0.000 0.489 257 G N 1.475 110.280 108.800 0.009 0.000 2.176 257 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.232 257 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.232 257 G C 0.155 175.054 174.900 -0.000 0.000 0.986 257 G CA -0.126 44.973 45.100 -0.001 0.000 0.643 257 G HN 0.634 nan 8.290 nan 0.000 0.522 258 Q N -1.104 118.704 119.800 0.014 0.000 2.437 258 Q HA -0.198 4.141 4.340 -0.001 0.000 0.354 258 Q C -1.007 175.010 176.000 0.029 0.000 1.402 258 Q CA 0.668 56.489 55.803 0.029 0.000 1.020 258 Q CB -0.897 27.857 28.738 0.026 0.000 1.220 258 Q HN 0.560 nan 8.270 nan 0.000 0.368 259 P HA -0.155 nan 4.420 nan 0.000 0.226 259 P C 0.188 177.478 177.300 -0.017 0.000 1.146 259 P CA 1.256 64.353 63.100 -0.005 0.000 0.773 259 P CB 0.255 31.950 31.700 -0.008 0.000 0.772 260 L N 0.822 122.064 121.223 0.031 0.000 2.637 260 L HA 0.381 4.720 4.340 -0.001 0.000 0.241 260 L C -2.272 174.756 176.870 0.262 0.000 1.398 260 L CA -2.060 52.807 54.840 0.045 0.000 0.895 260 L CB 1.161 43.212 42.059 -0.013 0.000 1.183 260 L HN -0.156 nan 8.230 nan 0.000 0.497 261 P HA 0.063 nan 4.420 nan 0.000 0.274 261 P C 0.365 177.828 177.300 0.270 0.000 1.260 261 P CA -0.073 63.129 63.100 0.170 0.000 0.793 261 P CB 1.001 32.749 31.700 0.080 0.000 1.048 262 C N -1.597 117.786 119.300 0.139 0.000 4.497 262 C HA -0.093 4.367 4.460 -0.001 0.000 0.292 262 C C 2.066 177.007 174.990 -0.081 0.000 1.366 262 C CA 0.250 59.320 59.018 0.087 0.000 1.987 262 C CB -3.254 24.579 27.740 0.155 0.000 1.241 262 C HN 0.737 nan 8.230 nan 0.000 0.788 263 A N 0.096 122.743 122.820 -0.289 0.000 1.972 263 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 263 A C 1.740 178.836 177.584 -0.814 0.000 1.169 263 A CA 2.369 53.757 52.037 -1.082 0.000 0.635 263 A CB -0.400 18.174 19.000 -0.709 0.000 0.810 263 A HN 0.696 nan 8.150 nan 0.000 0.446 264 D N -0.552 119.616 120.400 -0.387 0.000 2.265 264 D HA -0.103 4.536 4.640 -0.001 0.000 0.208 264 D C 1.732 177.900 176.300 -0.221 0.000 0.977 264 D CA 1.056 54.902 54.000 -0.257 0.000 0.871 264 D CB -0.042 40.672 40.800 -0.142 0.000 0.925 264 D HN 0.513 nan 8.370 nan 0.000 0.485 265 L N -0.404 120.697 121.223 -0.203 0.000 2.185 265 L HA 0.078 4.417 4.340 -0.001 0.000 0.198 265 L C 2.490 179.324 176.870 -0.059 0.000 1.079 265 L CA 0.446 55.232 54.840 -0.090 0.000 0.780 265 L CB -0.956 41.099 42.059 -0.006 0.000 0.955 265 L HN 0.319 nan 8.230 nan 0.000 0.462 266 W N 0.645 121.910 121.300 -0.059 0.000 2.421 266 W HA -0.098 4.562 4.660 -0.000 0.000 0.270 266 W C 1.449 177.917 176.519 -0.085 0.000 1.233 266 W CA 0.346 57.647 57.345 -0.072 0.000 1.226 266 W CB -0.711 28.699 29.460 -0.083 0.000 1.121 266 W HN 0.147 nan 8.180 nan 0.000 0.579 267 L N 1.688 122.646 121.223 -0.442 0.000 2.551 267 L HA 0.076 4.415 4.340 -0.001 0.000 0.228 267 L C 2.451 179.259 176.870 -0.103 0.000 1.153 267 L CA 1.050 55.672 54.840 -0.363 0.000 0.851 267 L CB -0.857 40.870 42.059 -0.554 0.000 0.959 267 L HN 0.118 nan 8.230 nan 0.000 0.451 268 G N -1.128 107.635 108.800 -0.062 0.000 3.141 268 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.218 268 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.218 268 G C 0.444 175.353 174.900 0.016 0.000 1.170 268 G CA -0.270 44.819 45.100 -0.018 0.000 0.769 268 G HN 0.149 nan 8.290 nan 0.000 0.546 269 N N 1.008 119.744 118.700 0.059 0.000 2.419 269 N HA 0.341 5.081 4.740 -0.001 0.000 0.264 269 N C 1.457 177.014 175.510 0.079 0.000 1.031 269 N CA 0.209 53.302 53.050 0.073 0.000 0.951 269 N CB 1.717 40.264 38.487 0.099 0.000 1.101 269 N HN -0.037 nan 8.380 nan 0.000 0.488 270 A N 4.910 127.770 122.820 0.067 0.000 1.948 270 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 270 A C 1.906 179.532 177.584 0.069 0.000 1.177 270 A CA 1.532 53.612 52.037 0.071 0.000 0.636 270 A CB -0.217 18.821 19.000 0.064 0.000 0.815 270 A HN 0.808 nan 8.150 nan 0.000 0.449 271 K N -0.575 119.859 120.400 0.055 0.000 2.211 271 K HA 0.043 4.363 4.320 -0.001 0.000 0.203 271 K C 2.200 178.820 176.600 0.033 0.000 1.050 271 K CA 0.855 57.164 56.287 0.037 0.000 0.945 271 K CB -0.224 32.285 32.500 0.015 0.000 0.732 271 K HN 0.482 nan 8.250 nan 0.000 0.451 272 A N 1.205 124.063 122.820 0.062 0.000 1.874 272 A HA -0.112 4.207 4.320 -0.001 0.000 0.214 272 A C 2.244 179.871 177.584 0.072 0.000 1.189 272 A CA 1.779 53.865 52.037 0.082 0.000 0.615 272 A CB -0.951 18.215 19.000 0.276 0.000 0.830 272 A HN 0.328 nan 8.150 nan 0.000 0.443 273 T N -0.351 114.261 114.554 0.097 0.000 2.684 273 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 273 T C 2.091 176.897 174.700 0.177 0.000 1.036 273 T CA 1.834 64.028 62.100 0.157 0.000 1.148 273 T CB -0.707 68.274 68.868 0.188 0.000 0.863 273 T HN 0.350 nan 8.240 nan 0.000 0.436 274 S N 1.359 117.134 115.700 0.125 0.000 2.359 274 S HA -0.161 4.309 4.470 -0.001 0.000 0.224 274 S C 2.089 176.764 174.600 0.125 0.000 1.035 274 S CA 1.447 59.716 58.200 0.114 0.000 1.018 274 S CB -0.412 62.836 63.200 0.080 0.000 0.876 274 S HN 0.651 nan 8.310 nan 0.000 0.448 275 E N 0.585 120.843 120.200 0.096 0.000 2.150 275 E HA -0.039 4.310 4.350 -0.001 0.000 0.193 275 E C 1.816 178.534 176.600 0.197 0.000 0.985 275 E CA 0.589 57.054 56.400 0.107 0.000 0.814 275 E CB -0.069 29.622 29.700 -0.015 0.000 0.752 275 E HN 0.432 nan 8.360 nan 0.000 0.466 276 L N 0.297 121.620 121.223 0.167 0.000 2.313 276 L HA -0.083 4.256 4.340 -0.001 0.000 0.214 276 L C 2.351 179.468 176.870 0.413 0.000 1.119 276 L CA 0.507 55.514 54.840 0.278 0.000 0.809 276 L CB -0.104 42.003 42.059 0.080 0.000 0.933 276 L HN 0.147 nan 8.230 nan 0.000 0.449 277 Q N -0.054 119.938 119.800 0.321 0.000 2.561 277 Q HA -0.189 4.150 4.340 -0.001 0.000 0.217 277 Q C 1.672 177.772 176.000 0.168 0.000 0.980 277 Q CA 0.895 56.845 55.803 0.245 0.000 0.927 277 Q CB 0.177 29.026 28.738 0.185 0.000 0.980 277 Q HN 0.548 nan 8.270 nan 0.000 0.525 278 Q N -1.221 118.688 119.800 0.182 0.000 2.319 278 Q HA 0.237 4.576 4.340 -0.001 0.000 0.209 278 Q C -0.115 175.818 176.000 -0.112 0.000 0.884 278 Q CA -0.040 55.788 55.803 0.041 0.000 0.938 278 Q CB 0.741 29.516 28.738 0.061 0.000 1.098 278 Q HN 0.218 nan 8.270 nan 0.000 0.517 279 A N 1.409 124.255 122.820 0.042 0.000 2.545 279 A HA -0.062 4.257 4.320 -0.001 0.000 0.253 279 A C 0.788 178.306 177.584 -0.110 0.000 1.074 279 A CA 0.190 52.191 52.037 -0.059 0.000 0.760 279 A CB 0.275 19.377 19.000 0.171 0.000 1.005 279 A HN 0.312 nan 8.150 nan 0.000 0.506 280 Q N 1.402 121.070 119.800 -0.219 0.000 2.339 280 Q HA 0.204 4.544 4.340 -0.001 0.000 0.205 280 Q C -0.022 175.928 176.000 -0.084 0.000 0.925 280 Q CA 0.565 56.314 55.803 -0.089 0.000 0.898 280 Q CB 0.244 28.941 28.738 -0.068 0.000 1.013 280 Q HN 0.761 nan 8.270 nan 0.000 0.504 281 I N -0.022 120.407 120.570 -0.236 0.000 2.582 281 I HA 0.300 4.469 4.170 -0.001 0.000 0.292 281 I C -1.603 174.296 176.117 -0.363 0.000 1.066 281 I CA -1.115 59.973 61.300 -0.354 0.000 1.053 281 I CB 2.362 40.133 38.000 -0.382 0.000 1.241 281 I HN -0.310 nan 8.210 nan 0.000 0.421 282 V N 7.520 127.194 119.914 -0.399 0.000 2.409 282 V HA 0.501 4.620 4.120 -0.001 0.000 0.291 282 V C -0.683 175.149 176.094 -0.437 0.000 1.020 282 V CA -0.657 61.399 62.300 -0.407 0.000 0.848 282 V CB 1.752 33.185 31.823 -0.649 0.000 0.990 282 V HN 0.497 nan 8.190 nan 0.000 0.430 283 V N 5.492 125.344 119.914 -0.103 0.000 2.334 283 V HA 0.416 4.535 4.120 -0.001 0.000 0.281 283 V C -0.034 176.067 176.094 0.013 0.000 1.016 283 V CA -0.449 61.865 62.300 0.023 0.000 0.832 283 V CB 1.393 33.427 31.823 0.353 0.000 0.999 283 V HN 0.920 nan 8.190 nan 0.000 0.439 284 Q N 5.105 124.855 119.800 -0.084 0.000 2.271 284 Q HA 0.636 4.975 4.340 -0.001 0.000 0.258 284 Q C -1.614 174.335 176.000 -0.084 0.000 0.936 284 Q CA -0.633 55.152 55.803 -0.030 0.000 0.909 284 Q CB 1.538 30.305 28.738 0.049 0.000 1.253 284 Q HN 0.666 nan 8.270 nan 0.000 0.440 285 L N 3.387 124.564 121.223 -0.076 0.000 2.362 285 L HA 0.732 5.071 4.340 -0.001 0.000 0.275 285 L C 0.453 177.275 176.870 -0.079 0.000 0.998 285 L CA -0.468 54.283 54.840 -0.147 0.000 0.820 285 L CB 1.141 43.087 42.059 -0.187 0.000 1.270 285 L HN 0.991 nan 8.230 nan 0.000 0.415 286 G N 2.748 111.495 108.800 -0.087 0.000 2.828 286 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.463 286 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.463 286 G C -0.330 174.557 174.900 -0.022 0.000 1.394 286 G CA -0.131 44.940 45.100 -0.048 0.000 0.862 286 G HN 0.982 nan 8.290 nan 0.000 0.540 287 S N -2.151 113.542 115.700 -0.012 0.000 2.998 287 S HA 0.823 5.292 4.470 -0.001 0.000 0.321 287 S C 0.623 175.222 174.600 -0.000 0.000 1.171 287 S CA 0.525 58.725 58.200 0.000 0.000 0.882 287 S CB 1.232 64.431 63.200 -0.002 0.000 1.301 287 S HN 2.443 nan 8.310 nan 0.000 0.629 288 S N 0.544 116.244 115.700 -0.000 0.000 3.631 288 S HA -0.101 4.369 4.470 -0.001 0.000 0.366 288 S C -0.173 174.423 174.600 -0.006 0.000 0.993 288 S CA 0.016 58.213 58.200 -0.005 0.000 1.167 288 S CB -1.815 61.380 63.200 -0.008 0.000 0.909 288 S HN 0.598 nan 8.310 nan 0.000 0.478 289 L N 1.211 122.436 121.223 0.002 0.000 2.514 289 L HA 0.153 4.493 4.340 -0.001 0.000 0.280 289 L C 1.820 178.685 176.870 -0.008 0.000 1.223 289 L CA 1.091 55.933 54.840 0.004 0.000 0.864 289 L CB -0.092 41.982 42.059 0.025 0.000 1.118 289 L HN 0.419 nan 8.230 nan 0.000 0.494 290 T N 1.261 115.804 114.554 -0.017 0.000 2.904 290 T HA 0.099 4.448 4.350 -0.001 0.000 0.243 290 T C 0.816 175.498 174.700 -0.030 0.000 1.024 290 T CA 0.641 62.724 62.100 -0.028 0.000 1.158 290 T CB -0.155 68.691 68.868 -0.038 0.000 0.867 290 T HN 0.742 nan 8.240 nan 0.000 0.429 291 G N 1.180 109.958 108.800 -0.037 0.000 2.403 291 G HA2 0.258 4.217 3.960 -0.001 0.000 0.259 291 G HA3 0.258 4.217 3.960 -0.001 0.000 0.259 291 G C 0.722 175.601 174.900 -0.035 0.000 1.244 291 G CA -0.402 44.670 45.100 -0.047 0.000 0.849 291 G HN 0.266 nan 8.290 nan 0.000 0.532 292 K N 1.242 121.622 120.400 -0.035 0.000 2.034 292 K HA -0.197 4.122 4.320 -0.001 0.000 0.214 292 K C 2.540 179.128 176.600 -0.019 0.000 1.051 292 K CA 1.428 57.701 56.287 -0.023 0.000 0.931 292 K CB -0.059 32.427 32.500 -0.024 0.000 0.715 292 K HN 0.457 nan 8.250 nan 0.000 0.446 293 R N 0.503 120.977 120.500 -0.043 0.000 2.081 293 R HA -0.138 4.201 4.340 -0.001 0.000 0.235 293 R C 2.413 178.715 176.300 0.004 0.000 1.131 293 R CA 0.918 56.995 56.100 -0.039 0.000 0.960 293 R CB -1.005 29.231 30.300 -0.108 0.000 0.856 293 R HN 0.271 nan 8.270 nan 0.000 0.436 294 L N 1.516 122.723 121.223 -0.027 0.000 1.990 294 L HA -0.159 4.181 4.340 -0.001 0.000 0.213 294 L C 2.249 179.192 176.870 0.122 0.000 1.072 294 L CA 1.652 56.524 54.840 0.053 0.000 0.755 294 L CB -0.775 41.282 42.059 -0.004 0.000 0.889 294 L HN 0.075 nan 8.230 nan 0.000 0.432 295 L N -0.955 120.299 121.223 0.053 0.000 2.079 295 L HA -0.275 4.065 4.340 -0.001 0.000 0.210 295 L C 2.666 179.553 176.870 0.028 0.000 1.081 295 L CA 1.608 56.467 54.840 0.033 0.000 0.752 295 L CB -0.607 41.454 42.059 0.004 0.000 0.896 295 L HN 0.432 nan 8.230 nan 0.000 0.433 296 Q N -1.442 118.383 119.800 0.042 0.000 2.079 296 Q HA -0.255 4.085 4.340 -0.001 0.000 0.200 296 Q C 2.026 178.067 176.000 0.068 0.000 0.974 296 Q CA 1.917 57.744 55.803 0.039 0.000 0.840 296 Q CB -0.331 28.432 28.738 0.042 0.000 0.898 296 Q HN 0.566 nan 8.270 nan 0.000 0.430 297 W N 1.947 123.239 121.300 -0.014 0.000 2.363 297 W HA -0.207 4.454 4.660 0.001 0.000 0.296 297 W C 2.200 178.755 176.519 0.059 0.000 1.212 297 W CA 1.717 59.069 57.345 0.011 0.000 1.260 297 W CB -0.153 29.296 29.460 -0.018 0.000 1.131 297 W HN 0.139 nan 8.180 nan 0.000 0.530 298 Q N 0.275 120.013 119.800 -0.103 0.000 2.002 298 Q HA -0.246 4.094 4.340 -0.001 0.000 0.204 298 Q C 2.353 178.260 176.000 -0.155 0.000 0.988 298 Q CA 2.400 58.074 55.803 -0.215 0.000 0.843 298 Q CB -0.713 28.017 28.738 -0.014 0.000 0.908 298 Q HN 0.271 nan 8.270 nan 0.000 0.420 299 A N 0.488 123.248 122.820 -0.100 0.000 1.948 299 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 299 A C 2.162 179.661 177.584 -0.142 0.000 1.177 299 A CA 2.413 54.383 52.037 -0.112 0.000 0.636 299 A CB -0.688 18.253 19.000 -0.098 0.000 0.815 299 A HN 0.636 nan 8.150 nan 0.000 0.449 300 S N -1.145 114.465 115.700 -0.149 0.000 2.483 300 S HA 0.006 4.475 4.470 -0.001 0.000 0.221 300 S C 1.115 175.631 174.600 -0.140 0.000 1.030 300 S CA 0.286 58.410 58.200 -0.126 0.000 0.925 300 S CB -1.668 61.490 63.200 -0.070 0.000 0.795 300 S HN 1.071 nan 8.310 nan 0.000 0.511 301 C N 2.239 121.356 119.300 -0.304 0.000 2.665 301 C HA 0.474 4.933 4.460 -0.001 0.000 0.416 301 C C 0.268 175.261 174.990 0.006 0.000 1.305 301 C CA -0.689 58.159 59.018 -0.284 0.000 1.903 301 C CB -0.771 26.485 27.740 -0.805 0.000 2.704 301 C HN 0.580 nan 8.230 nan 0.000 0.629 302 E N 2.934 123.152 120.200 0.031 0.000 3.568 302 E HA 0.316 4.665 4.350 -0.001 0.000 0.213 302 E C -2.122 174.531 176.600 0.088 0.000 1.197 302 E CA -1.011 55.444 56.400 0.092 0.000 1.126 302 E CB 0.550 30.283 29.700 0.054 0.000 1.285 302 E HN 0.722 nan 8.360 nan 0.000 0.418 303 P HA 0.090 nan 4.420 nan 0.000 0.274 303 P C 0.371 177.714 177.300 0.072 0.000 1.246 303 P CA -0.175 62.950 63.100 0.041 0.000 0.795 303 P CB 1.281 32.960 31.700 -0.034 0.000 1.006 304 E N -0.240 120.003 120.200 0.072 0.000 2.106 304 E HA -0.106 4.244 4.350 -0.001 0.000 0.192 304 E C 0.165 176.798 176.600 0.055 0.000 0.984 304 E CA 1.166 57.643 56.400 0.129 0.000 0.806 304 E CB 0.205 30.080 29.700 0.292 0.000 0.750 304 E HN 0.549 nan 8.360 nan 0.000 0.458 305 E N -0.658 119.474 120.200 -0.113 0.000 2.292 305 E HA 0.248 4.597 4.350 -0.001 0.000 0.272 305 E C -1.773 174.777 176.600 -0.083 0.000 0.881 305 E CA -0.529 55.803 56.400 -0.113 0.000 0.754 305 E CB 1.751 31.258 29.700 -0.323 0.000 1.201 305 E HN -0.030 nan 8.360 nan 0.000 0.425 306 Y N 2.774 123.088 120.300 0.023 0.000 2.328 306 Y HA 0.368 4.918 4.550 0.001 0.000 0.337 306 Y C -1.434 174.627 175.900 0.268 0.000 0.966 306 Y CA -0.685 57.417 58.100 0.003 0.000 1.136 306 Y CB 0.747 39.117 38.460 -0.150 0.000 1.170 306 Y HN 0.455 nan 8.280 nan 0.000 0.470 307 W N 6.825 128.066 121.300 -0.098 0.000 2.666 307 W HA 0.676 5.335 4.660 -0.002 0.000 0.334 307 W C -1.168 175.302 176.519 -0.083 0.000 1.051 307 W CA -1.652 55.653 57.345 -0.066 0.000 1.224 307 W CB 1.300 30.689 29.460 -0.118 0.000 1.405 307 W HN 0.297 nan 8.180 nan 0.000 0.513 308 I N 3.085 123.725 120.570 0.117 0.000 2.468 308 I HA 0.282 4.451 4.170 -0.001 0.000 0.285 308 I C -0.788 175.209 176.117 -0.200 0.000 1.039 308 I CA -1.017 60.278 61.300 -0.007 0.000 1.074 308 I CB 1.674 39.712 38.000 0.063 0.000 1.228 308 I HN -0.135 nan 8.210 nan 0.000 0.436 309 V N 5.479 125.179 119.914 -0.357 0.000 2.398 309 V HA 0.573 4.693 4.120 -0.001 0.000 0.286 309 V C -0.428 175.475 176.094 -0.319 0.000 1.026 309 V CA -0.206 61.766 62.300 -0.547 0.000 0.868 309 V CB 1.654 32.800 31.823 -1.127 0.000 0.982 309 V HN 0.674 nan 8.190 nan 0.000 0.443 310 D N 2.117 122.382 120.400 -0.225 0.000 2.683 310 D HA 0.142 4.782 4.640 -0.001 0.000 0.246 310 D C -0.786 175.483 176.300 -0.052 0.000 1.238 310 D CA -0.322 53.609 54.000 -0.115 0.000 0.759 310 D CB 2.508 43.263 40.800 -0.075 0.000 1.349 310 D HN 0.649 nan 8.370 nan 0.000 0.426 311 D N 1.157 121.557 120.400 0.001 0.000 2.370 311 D HA 0.103 4.742 4.640 -0.001 0.000 0.230 311 D C 0.854 177.267 176.300 0.188 0.000 1.143 311 D CA -0.093 53.959 54.000 0.087 0.000 0.834 311 D CB -0.062 40.768 40.800 0.050 0.000 0.944 311 D HN 0.459 nan 8.370 nan 0.000 0.504 312 I N -3.069 117.559 120.570 0.097 0.000 2.693 312 I HA 0.540 4.709 4.170 -0.001 0.000 0.303 312 I C -0.341 175.794 176.117 0.030 0.000 1.025 312 I CA -1.114 60.246 61.300 0.101 0.000 1.086 312 I CB 2.082 40.112 38.000 0.050 0.000 1.268 312 I HN -0.331 nan 8.210 nan 0.000 0.440 313 E N 2.576 122.782 120.200 0.010 0.000 2.342 313 E HA 0.621 4.970 4.350 -0.001 0.000 0.257 313 E C 0.138 176.722 176.600 -0.026 0.000 1.150 313 E CA 0.040 56.414 56.400 -0.043 0.000 0.926 313 E CB 0.836 30.493 29.700 -0.072 0.000 1.074 313 E HN 1.116 nan 8.360 nan 0.000 0.449 314 G N 0.480 109.260 108.800 -0.033 0.000 2.699 314 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.686 314 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.686 314 G C -0.787 174.106 174.900 -0.013 0.000 1.301 314 G CA -0.913 44.174 45.100 -0.021 0.000 0.816 314 G HN 0.418 nan 8.290 nan 0.000 0.595 315 R N -0.610 119.890 120.500 -0.000 0.000 2.643 315 R HA 0.431 4.771 4.340 -0.001 0.000 0.270 315 R C 0.935 177.243 176.300 0.012 0.000 1.061 315 R CA 0.218 56.327 56.100 0.015 0.000 1.107 315 R CB 0.389 30.716 30.300 0.044 0.000 0.999 315 R HN 0.459 nan 8.270 nan 0.000 0.460 316 L N 0.321 121.548 121.223 0.007 0.000 3.174 316 L HA 0.143 4.482 4.340 -0.001 0.000 0.283 316 L C -0.118 176.737 176.870 -0.026 0.000 1.187 316 L CA -0.067 54.770 54.840 -0.004 0.000 1.018 316 L CB 0.600 42.657 42.059 -0.003 0.000 1.433 316 L HN 0.545 nan 8.230 nan 0.000 0.593 317 D N 1.809 122.179 120.400 -0.050 0.000 2.443 317 D HA 0.186 4.825 4.640 -0.001 0.000 0.221 317 D C -1.528 174.604 176.300 -0.280 0.000 1.097 317 D CA -2.130 51.775 54.000 -0.159 0.000 0.865 317 D CB 1.476 42.142 40.800 -0.224 0.000 1.034 317 D HN -0.085 nan 8.370 nan 0.000 0.511 318 P HA -0.027 nan 4.420 nan 0.000 0.230 318 P C 0.752 177.510 177.300 -0.903 0.000 1.158 318 P CA 0.392 63.204 63.100 -0.480 0.000 0.769 318 P CB 0.314 31.896 31.700 -0.197 0.000 0.807 319 A N -0.665 121.758 122.820 -0.662 0.000 2.218 319 A HA -0.003 4.316 4.320 -0.001 0.000 0.209 319 A C 0.397 177.620 177.584 -0.601 0.000 1.168 319 A CA 0.043 51.728 52.037 -0.587 0.000 0.804 319 A CB -1.067 17.716 19.000 -0.363 0.000 0.834 319 A HN 0.248 nan 8.150 nan 0.000 0.482 320 H N -0.528 118.447 119.070 -0.158 0.000 2.819 320 H HA -0.158 4.396 4.556 -0.003 0.000 0.315 320 H C -0.587 174.656 175.328 -0.141 0.000 1.242 320 H CA 0.930 56.903 56.048 -0.126 0.000 1.157 320 H CB -2.633 27.065 29.762 -0.106 0.000 1.451 320 H HN 0.767 nan 8.280 nan 0.000 0.430 321 H N 0.485 119.462 119.070 -0.155 0.000 2.852 321 H HA 0.156 4.713 4.556 0.002 0.000 0.362 321 H C 1.264 176.596 175.328 0.005 0.000 1.122 321 H CA 0.057 56.047 56.048 -0.096 0.000 1.419 321 H CB 0.536 30.200 29.762 -0.164 0.000 1.401 321 H HN 0.300 nan 8.280 nan 0.000 0.609 322 R N 1.479 122.072 120.500 0.155 0.000 2.480 322 R HA 0.258 4.598 4.340 -0.001 0.000 0.303 322 R C 0.175 176.589 176.300 0.191 0.000 0.985 322 R CA 1.034 57.219 56.100 0.140 0.000 1.051 322 R CB -0.426 29.948 30.300 0.123 0.000 0.935 322 R HN 0.920 nan 8.270 nan 0.000 0.410 323 G N 3.060 111.956 108.800 0.161 0.000 2.399 323 G HA2 0.153 4.112 3.960 -0.001 0.000 0.256 323 G HA3 0.153 4.112 3.960 -0.001 0.000 0.256 323 G C -1.534 173.416 174.900 0.083 0.000 1.236 323 G CA -0.960 44.258 45.100 0.197 0.000 0.914 323 G HN 0.539 nan 8.290 nan 0.000 0.482 324 R N -0.489 120.027 120.500 0.026 0.000 2.621 324 R HA 0.698 5.038 4.340 -0.001 0.000 0.292 324 R C -0.907 175.327 176.300 -0.109 0.000 0.969 324 R CA -0.956 55.040 56.100 -0.173 0.000 0.887 324 R CB 2.268 32.215 30.300 -0.588 0.000 1.180 324 R HN 0.348 nan 8.270 nan 0.000 0.450 325 R N 3.371 123.808 120.500 -0.106 0.000 2.272 325 R HA 0.356 4.695 4.340 -0.001 0.000 0.323 325 R C -1.425 174.796 176.300 -0.132 0.000 1.002 325 R CA -0.356 55.691 56.100 -0.089 0.000 0.900 325 R CB 0.293 30.564 30.300 -0.047 0.000 1.151 325 R HN 0.531 nan 8.270 nan 0.000 0.507 326 L N 5.687 126.797 121.223 -0.187 0.000 2.287 326 L HA 0.521 4.861 4.340 -0.001 0.000 0.287 326 L C -0.436 176.330 176.870 -0.174 0.000 1.022 326 L CA -1.070 53.652 54.840 -0.198 0.000 0.814 326 L CB 1.512 43.389 42.059 -0.304 0.000 1.217 326 L HN 0.429 nan 8.230 nan 0.000 0.420 327 I N 3.725 124.241 120.570 -0.090 0.000 2.304 327 I HA 0.659 4.829 4.170 -0.001 0.000 0.291 327 I C 0.242 176.360 176.117 0.003 0.000 1.018 327 I CA 0.229 61.495 61.300 -0.057 0.000 1.260 327 I CB 1.241 39.197 38.000 -0.073 0.000 1.390 327 I HN 0.700 nan 8.210 nan 0.000 0.475 328 A N 5.326 128.153 122.820 0.012 0.000 2.590 328 A HA 0.351 4.671 4.320 -0.001 0.000 0.296 328 A C -0.665 176.951 177.584 0.053 0.000 1.050 328 A CA -0.887 51.198 52.037 0.080 0.000 0.697 328 A CB 0.867 19.984 19.000 0.195 0.000 1.277 328 A HN 0.553 nan 8.150 nan 0.000 0.411 329 N N 1.814 120.559 118.700 0.074 0.000 2.359 329 N HA -0.002 4.737 4.740 -0.001 0.000 0.261 329 N C 1.015 176.562 175.510 0.061 0.000 1.267 329 N CA 0.371 53.451 53.050 0.049 0.000 0.864 329 N CB 0.340 38.856 38.487 0.049 0.000 1.063 329 N HN 0.581 nan 8.380 nan 0.000 0.474 330 I N 3.284 123.862 120.570 0.013 0.000 2.226 330 I HA -0.272 3.897 4.170 -0.001 0.000 0.245 330 I C 2.246 178.386 176.117 0.038 0.000 1.100 330 I CA 1.204 62.502 61.300 -0.004 0.000 1.374 330 I CB -0.354 37.602 38.000 -0.074 0.000 1.057 330 I HN 0.654 nan 8.210 nan 0.000 0.413 331 A N 0.663 123.493 122.820 0.017 0.000 1.902 331 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 331 A C 1.936 179.540 177.584 0.034 0.000 1.181 331 A CA 2.111 54.154 52.037 0.011 0.000 0.623 331 A CB -0.586 18.418 19.000 0.007 0.000 0.818 331 A HN 0.348 nan 8.150 nan 0.000 0.443 332 D N -1.725 118.710 120.400 0.059 0.000 2.144 332 D HA -0.159 4.480 4.640 -0.001 0.000 0.199 332 D C 1.563 177.913 176.300 0.083 0.000 0.984 332 D CA 1.043 55.079 54.000 0.059 0.000 0.834 332 D CB -0.398 40.442 40.800 0.066 0.000 0.955 332 D HN 0.758 nan 8.370 nan 0.000 0.465 333 W N 1.265 122.540 121.300 -0.042 0.000 2.402 333 W HA -0.008 4.652 4.660 -0.000 0.000 0.286 333 W C 1.986 178.492 176.519 -0.022 0.000 1.221 333 W CA 0.756 58.101 57.345 -0.001 0.000 1.257 333 W CB -0.150 29.268 29.460 -0.071 0.000 1.120 333 W HN -0.099 nan 8.180 nan 0.000 0.551 334 L N 0.180 121.444 121.223 0.068 0.000 2.093 334 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 334 L C 2.426 179.250 176.870 -0.078 0.000 1.085 334 L CA 1.431 56.172 54.840 -0.164 0.000 0.755 334 L CB -0.828 41.079 42.059 -0.253 0.000 0.904 334 L HN 0.003 nan 8.230 nan 0.000 0.435 335 E N -0.063 120.109 120.200 -0.048 0.000 2.110 335 E HA -0.249 4.100 4.350 -0.001 0.000 0.193 335 E C 2.115 178.659 176.600 -0.095 0.000 0.988 335 E CA 1.065 57.448 56.400 -0.029 0.000 0.804 335 E CB -0.103 29.585 29.700 -0.020 0.000 0.745 335 E HN 0.272 nan 8.360 nan 0.000 0.458 336 L N 0.330 121.409 121.223 -0.241 0.000 2.240 336 L HA -0.070 4.270 4.340 -0.001 0.000 0.211 336 L C 0.332 176.735 176.870 -0.779 0.000 1.106 336 L CA 1.601 56.152 54.840 -0.481 0.000 0.793 336 L CB -0.045 41.651 42.059 -0.606 0.000 0.927 336 L HN 0.041 nan 8.230 nan 0.000 0.446 337 H N -0.369 118.402 119.070 -0.498 0.000 2.340 337 H HA 0.355 4.911 4.556 -0.001 0.000 0.233 337 H C -2.387 173.000 175.328 0.097 0.000 1.435 337 H CA -2.328 53.356 56.048 -0.607 0.000 1.389 337 H CB -0.175 28.472 29.762 -1.859 0.000 1.491 337 H HN 0.112 nan 8.280 nan 0.000 0.518 338 P HA 0.170 nan 4.420 nan 0.000 0.274 338 P C -0.033 177.525 177.300 0.429 0.000 1.231 338 P CA -0.435 62.916 63.100 0.418 0.000 0.790 338 P CB 1.151 32.983 31.700 0.220 0.000 0.951 339 A N 1.820 124.755 122.820 0.191 0.000 2.388 339 A HA 0.171 4.490 4.320 -0.001 0.000 0.257 339 A C 0.337 177.770 177.584 -0.252 0.000 1.095 339 A CA -0.328 51.568 52.037 -0.235 0.000 0.791 339 A CB -0.221 18.485 19.000 -0.490 0.000 1.029 339 A HN 0.602 nan 8.150 nan 0.000 0.489 340 E N 1.840 121.808 120.200 -0.387 0.000 2.146 340 E HA 0.136 4.485 4.350 -0.001 0.000 0.282 340 E C -0.543 175.894 176.600 -0.272 0.000 0.989 340 E CA -0.484 55.716 56.400 -0.333 0.000 0.799 340 E CB 0.496 29.956 29.700 -0.398 0.000 1.088 340 E HN 0.533 nan 8.360 nan 0.000 0.397 341 K N 4.916 125.204 120.400 -0.188 0.000 1.925 341 K HA -0.037 4.282 4.320 -0.001 0.000 0.216 341 K C 0.103 176.632 176.600 -0.118 0.000 1.159 341 K CA 0.494 56.697 56.287 -0.140 0.000 1.219 341 K CB -0.037 32.406 32.500 -0.095 0.000 1.143 341 K HN 0.261 nan 8.250 nan 0.000 0.258 342 R N 0.969 121.393 120.500 -0.126 0.000 2.719 342 R HA 0.196 4.535 4.340 -0.001 0.000 0.233 342 R C 0.014 176.299 176.300 -0.025 0.000 1.257 342 R CA -0.928 55.131 56.100 -0.070 0.000 1.109 342 R CB 0.545 30.811 30.300 -0.057 0.000 1.447 342 R HN 0.382 nan 8.270 nan 0.000 0.537 343 Q N 0.585 120.395 119.800 0.017 0.000 2.274 343 Q HA 0.425 4.765 4.340 -0.001 0.000 0.260 343 Q C -2.503 173.549 176.000 0.086 0.000 0.974 343 Q CA -2.101 53.719 55.803 0.029 0.000 0.876 343 Q CB 1.410 30.157 28.738 0.014 0.000 1.297 343 Q HN 0.168 nan 8.270 nan 0.000 0.446 344 P HA -0.107 nan 4.420 nan 0.000 0.262 344 P C -0.377 176.980 177.300 0.094 0.000 1.182 344 P CA 0.029 63.154 63.100 0.041 0.000 0.761 344 P CB 0.175 31.849 31.700 -0.045 0.000 0.795 345 W N 2.171 123.467 121.300 -0.006 0.000 3.177 345 W HA 0.273 4.932 4.660 -0.002 0.000 0.309 345 W C -1.174 175.313 176.519 -0.054 0.000 1.224 345 W CA -0.191 57.134 57.345 -0.034 0.000 1.718 345 W CB -0.538 28.895 29.460 -0.046 0.000 1.078 345 W HN 0.063 nan 8.180 nan 0.000 0.618 346 C N 2.878 121.860 119.300 -0.530 0.000 2.273 346 C HA 0.390 4.850 4.460 -0.001 0.000 0.328 346 C C 1.607 176.410 174.990 -0.311 0.000 1.275 346 C CA -0.225 58.445 59.018 -0.581 0.000 1.704 346 C CB 1.144 28.391 27.740 -0.820 0.000 2.326 346 C HN 0.177 nan 8.230 nan 0.000 0.517 347 V N 2.326 122.109 119.914 -0.217 0.000 3.484 347 V HA 0.018 4.138 4.120 -0.001 0.000 0.252 347 V C 1.974 177.964 176.094 -0.173 0.000 1.282 347 V CA 0.646 62.849 62.300 -0.162 0.000 1.104 347 V CB -0.544 31.222 31.823 -0.093 0.000 0.868 347 V HN 0.909 nan 8.190 nan 0.000 0.457 348 E N 1.047 121.140 120.200 -0.178 0.000 2.170 348 E HA -0.042 4.307 4.350 -0.001 0.000 0.191 348 E C 2.091 178.534 176.600 -0.262 0.000 0.981 348 E CA 0.948 57.242 56.400 -0.176 0.000 0.830 348 E CB -0.195 29.435 29.700 -0.117 0.000 0.775 348 E HN 0.508 nan 8.360 nan 0.000 0.470 349 I N 1.947 122.302 120.570 -0.359 0.000 2.208 349 I HA -0.169 4.000 4.170 -0.001 0.000 0.245 349 I C -0.581 175.178 176.117 -0.595 0.000 1.097 349 I CA 1.035 61.990 61.300 -0.575 0.000 1.363 349 I CB -0.881 36.691 38.000 -0.712 0.000 1.051 349 I HN 0.137 nan 8.210 nan 0.000 0.413 350 P HA -0.174 nan 4.420 nan 0.000 0.216 350 P C 1.495 178.622 177.300 -0.289 0.000 1.150 350 P CA 1.421 64.312 63.100 -0.348 0.000 0.843 350 P CB -0.008 31.541 31.700 -0.250 0.000 0.787 351 R N -0.605 119.748 120.500 -0.245 0.000 2.070 351 R HA -0.076 4.263 4.340 -0.001 0.000 0.233 351 R C 2.311 178.494 176.300 -0.195 0.000 1.137 351 R CA 1.368 57.358 56.100 -0.182 0.000 0.945 351 R CB -1.207 29.010 30.300 -0.138 0.000 0.845 351 R HN 0.158 nan 8.270 nan 0.000 0.430 352 L N -0.551 120.518 121.223 -0.256 0.000 2.056 352 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 352 L C 2.527 179.246 176.870 -0.252 0.000 1.078 352 L CA 1.277 55.987 54.840 -0.216 0.000 0.749 352 L CB -0.579 41.357 42.059 -0.204 0.000 0.901 352 L HN 0.265 nan 8.230 nan 0.000 0.433 353 A N -0.304 122.206 122.820 -0.516 0.000 1.972 353 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 353 A C 2.325 179.827 177.584 -0.136 0.000 1.169 353 A CA 1.840 53.633 52.037 -0.407 0.000 0.635 353 A CB -0.463 18.196 19.000 -0.568 0.000 0.810 353 A HN 0.493 nan 8.150 nan 0.000 0.446 354 E N -0.485 119.622 120.200 -0.154 0.000 2.107 354 E HA -0.207 4.143 4.350 -0.001 0.000 0.191 354 E C 2.122 178.691 176.600 -0.052 0.000 0.982 354 E CA 1.113 57.460 56.400 -0.088 0.000 0.809 354 E CB -0.112 29.530 29.700 -0.097 0.000 0.756 354 E HN 0.770 nan 8.360 nan 0.000 0.459 355 Q N -0.165 119.601 119.800 -0.056 0.000 2.123 355 Q HA -0.069 4.270 4.340 -0.001 0.000 0.199 355 Q C 2.097 178.097 176.000 -0.001 0.000 0.966 355 Q CA 1.206 56.992 55.803 -0.028 0.000 0.845 355 Q CB -0.018 28.702 28.738 -0.030 0.000 0.907 355 Q HN 0.285 nan 8.270 nan 0.000 0.439 356 A N 0.680 123.515 122.820 0.024 0.000 1.898 356 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 356 A C 2.018 179.630 177.584 0.047 0.000 1.181 356 A CA 1.411 53.485 52.037 0.062 0.000 0.620 356 A CB -0.446 18.646 19.000 0.154 0.000 0.819 356 A HN 0.361 nan 8.150 nan 0.000 0.442 357 M N -0.030 119.601 119.600 0.051 0.000 2.279 357 M HA -0.176 4.303 4.480 -0.001 0.000 0.264 357 M C 1.905 178.218 176.300 0.021 0.000 1.062 357 M CA 1.739 57.071 55.300 0.054 0.000 1.099 357 M CB -0.566 32.068 32.600 0.057 0.000 1.394 357 M HN 0.534 nan 8.290 nan 0.000 0.426 358 Q N -0.737 119.063 119.800 0.001 0.000 2.062 358 Q HA 0.038 4.378 4.340 -0.001 0.000 0.196 358 Q C 2.190 178.172 176.000 -0.030 0.000 0.967 358 Q CA 1.456 57.250 55.803 -0.014 0.000 0.832 358 Q CB -0.445 28.283 28.738 -0.015 0.000 0.899 358 Q HN 0.669 nan 8.270 nan 0.000 0.442 359 A N 0.505 123.312 122.820 -0.022 0.000 1.997 359 A HA -0.206 4.114 4.320 -0.001 0.000 0.221 359 A C 2.261 179.805 177.584 -0.067 0.000 1.172 359 A CA 1.728 53.748 52.037 -0.029 0.000 0.645 359 A CB -0.739 18.255 19.000 -0.010 0.000 0.813 359 A HN 0.229 nan 8.150 nan 0.000 0.454 360 V N 0.329 120.184 119.914 -0.098 0.000 2.302 360 V HA -0.201 3.918 4.120 -0.001 0.000 0.243 360 V C 2.468 178.346 176.094 -0.361 0.000 1.036 360 V CA 1.631 63.791 62.300 -0.232 0.000 1.020 360 V CB -0.889 30.783 31.823 -0.252 0.000 0.657 360 V HN 0.781 nan 8.190 nan 0.000 0.453 361 I N 0.847 121.261 120.570 -0.260 0.000 2.423 361 I HA -0.130 4.040 4.170 -0.001 0.000 0.254 361 I C 2.231 178.283 176.117 -0.109 0.000 1.151 361 I CA 1.882 63.080 61.300 -0.171 0.000 1.421 361 I CB -0.552 37.442 38.000 -0.011 0.000 1.079 361 I HN 0.121 nan 8.210 nan 0.000 0.431 362 A N 1.031 123.801 122.820 -0.083 0.000 2.178 362 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 362 A C 2.080 179.638 177.584 -0.044 0.000 1.157 362 A CA 1.089 53.097 52.037 -0.048 0.000 0.689 362 A CB -0.427 18.554 19.000 -0.033 0.000 0.787 362 A HN 0.557 nan 8.150 nan 0.000 0.465 363 R N -1.019 119.435 120.500 -0.078 0.000 2.535 363 R HA 0.080 4.419 4.340 -0.001 0.000 0.323 363 R C 1.356 177.630 176.300 -0.042 0.000 0.979 363 R CA 0.486 56.557 56.100 -0.048 0.000 1.120 363 R CB -0.009 30.258 30.300 -0.056 0.000 1.306 363 R HN 0.792 nan 8.270 nan 0.000 0.540 364 R N 0.335 120.783 120.500 -0.086 0.000 2.316 364 R HA 0.012 4.352 4.340 -0.001 0.000 0.202 364 R C 0.215 176.525 176.300 0.016 0.000 1.029 364 R CA 1.048 57.108 56.100 -0.066 0.000 1.018 364 R CB 0.034 30.287 30.300 -0.079 0.000 0.888 364 R HN -0.079 nan 8.270 nan 0.000 0.471 365 D N 1.679 122.131 120.400 0.087 0.000 2.183 365 D HA 0.070 4.709 4.640 -0.001 0.000 0.205 365 D C 0.853 177.416 176.300 0.439 0.000 0.962 365 D CA 0.898 55.013 54.000 0.193 0.000 0.849 365 D CB -0.104 40.775 40.800 0.133 0.000 0.978 365 D HN 0.367 nan 8.370 nan 0.000 0.488 366 A N 0.626 123.646 122.820 0.333 0.000 2.521 366 A HA 0.028 4.347 4.320 -0.001 0.000 0.237 366 A C -0.305 177.609 177.584 0.550 0.000 1.087 366 A CA 0.018 52.263 52.037 0.346 0.000 0.777 366 A CB -0.093 19.030 19.000 0.205 0.000 1.035 366 A HN 0.129 nan 8.150 nan 0.000 0.510 367 F N 1.318 121.337 119.950 0.116 0.000 2.359 367 F HA 0.537 5.064 4.527 -0.001 0.000 0.355 367 F C 0.668 176.429 175.800 -0.065 0.000 1.132 367 F CA 0.115 58.004 58.000 -0.184 0.000 1.246 367 F CB 0.086 38.828 39.000 -0.431 0.000 1.569 367 F HN 0.640 nan 8.300 nan 0.000 0.561 368 G N 2.983 111.745 108.800 -0.062 0.000 2.680 368 G HA2 0.275 4.234 3.960 -0.001 0.000 0.290 368 G HA3 0.275 4.234 3.960 -0.001 0.000 0.290 368 G C 0.159 175.033 174.900 -0.043 0.000 1.355 368 G CA -0.546 44.520 45.100 -0.056 0.000 0.903 368 G HN 0.443 nan 8.290 nan 0.000 0.474 369 E N -0.401 119.777 120.200 -0.036 0.000 2.152 369 E HA 0.001 4.351 4.350 -0.001 0.000 0.192 369 E C 2.201 178.832 176.600 0.051 0.000 0.983 369 E CA 1.154 57.548 56.400 -0.009 0.000 0.818 369 E CB -0.031 29.657 29.700 -0.020 0.000 0.758 369 E HN 0.393 nan 8.360 nan 0.000 0.467 370 A N 1.185 124.038 122.820 0.054 0.000 1.930 370 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 370 A C 2.098 179.748 177.584 0.111 0.000 1.175 370 A CA 1.587 53.662 52.037 0.063 0.000 0.627 370 A CB -0.326 18.697 19.000 0.038 0.000 0.815 370 A HN 0.172 nan 8.150 nan 0.000 0.443 371 Q N -0.958 118.939 119.800 0.162 0.000 2.172 371 Q HA 0.012 4.352 4.340 -0.001 0.000 0.200 371 Q C 1.971 178.136 176.000 0.274 0.000 0.964 371 Q CA 1.133 57.071 55.803 0.225 0.000 0.855 371 Q CB -0.420 28.529 28.738 0.352 0.000 0.918 371 Q HN 0.607 nan 8.270 nan 0.000 0.444 372 L N 0.257 121.687 121.223 0.345 0.000 2.017 372 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 372 L C 1.989 178.984 176.870 0.208 0.000 1.073 372 L CA 1.980 57.029 54.840 0.349 0.000 0.745 372 L CB -0.896 41.308 42.059 0.242 0.000 0.894 372 L HN 0.174 nan 8.230 nan 0.000 0.432 373 A N -0.936 121.970 122.820 0.143 0.000 1.873 373 A HA -0.362 3.957 4.320 -0.001 0.000 0.218 373 A C 2.315 179.947 177.584 0.079 0.000 1.193 373 A CA 2.122 54.214 52.037 0.092 0.000 0.629 373 A CB -1.277 17.763 19.000 0.066 0.000 0.826 373 A HN 0.765 nan 8.150 nan 0.000 0.447 374 H N -0.514 118.560 119.070 0.007 0.000 2.352 374 H HA -0.028 4.528 4.556 -0.001 0.000 0.299 374 H C 1.951 177.235 175.328 -0.074 0.000 1.097 374 H CA 1.998 58.026 56.048 -0.033 0.000 1.311 374 H CB -0.078 29.663 29.762 -0.034 0.000 1.377 374 H HN 0.410 nan 8.280 nan 0.000 0.504 375 R N -0.506 119.932 120.500 -0.104 0.000 2.313 375 R HA 0.068 4.407 4.340 -0.001 0.000 0.199 375 R C 1.677 177.815 176.300 -0.270 0.000 0.958 375 R CA 0.365 56.310 56.100 -0.258 0.000 1.047 375 R CB -0.037 30.128 30.300 -0.226 0.000 0.955 375 R HN 0.329 nan 8.270 nan 0.000 0.481 376 I N 0.509 121.009 120.570 -0.116 0.000 2.700 376 I HA -0.282 3.887 4.170 -0.001 0.000 0.261 376 I C 1.620 177.624 176.117 -0.189 0.000 1.219 376 I CA 1.030 62.325 61.300 -0.009 0.000 1.463 376 I CB -0.020 38.004 38.000 0.039 0.000 1.092 376 I HN 0.291 nan 8.210 nan 0.000 0.452 377 C N -1.011 118.101 119.300 -0.314 0.000 2.468 377 C HA 0.044 4.503 4.460 -0.001 0.000 0.277 377 C C 2.119 176.853 174.990 -0.425 0.000 1.400 377 C CA -0.195 58.606 59.018 -0.361 0.000 1.770 377 C CB -1.392 26.148 27.740 -0.334 0.000 1.905 377 C HN 0.408 nan 8.230 nan 0.000 0.519 378 D N 0.946 120.995 120.400 -0.584 0.000 2.265 378 D HA -0.107 4.532 4.640 -0.001 0.000 0.208 378 D C 1.287 177.216 176.300 -0.618 0.000 0.977 378 D CA 1.517 55.120 54.000 -0.662 0.000 0.871 378 D CB -0.284 39.978 40.800 -0.898 0.000 0.925 378 D HN 0.645 nan 8.370 nan 0.000 0.485 379 Y N 0.014 120.134 120.300 -0.298 0.000 2.444 379 Y HA 0.276 4.825 4.550 -0.001 0.000 0.249 379 Y C 1.028 176.744 175.900 -0.307 0.000 1.134 379 Y CA -0.534 57.286 58.100 -0.467 0.000 1.261 379 Y CB -0.128 37.862 38.460 -0.784 0.000 1.143 379 Y HN -0.174 nan 8.280 nan 0.000 0.523 380 L N 4.568 125.665 121.223 -0.209 0.000 2.499 380 L HA 0.092 4.431 4.340 -0.001 0.000 0.273 380 L C -2.013 174.661 176.870 -0.326 0.000 1.195 380 L CA -1.660 53.014 54.840 -0.278 0.000 0.882 380 L CB 0.126 41.805 42.059 -0.634 0.000 1.133 380 L HN -0.084 nan 8.230 nan 0.000 0.483 381 P HA 0.032 nan 4.420 nan 0.000 0.271 381 P C -0.421 176.723 177.300 -0.260 0.000 1.216 381 P CA -0.289 62.361 63.100 -0.751 0.000 0.776 381 P CB 0.575 31.674 31.700 -1.002 0.000 0.881 382 E N 2.266 122.302 120.200 -0.273 0.000 2.414 382 E HA -0.071 4.278 4.350 -0.001 0.000 0.263 382 E C 0.176 176.736 176.600 -0.067 0.000 1.000 382 E CA 0.126 56.466 56.400 -0.100 0.000 0.914 382 E CB 0.131 29.765 29.700 -0.110 0.000 0.948 382 E HN 0.312 nan 8.360 nan 0.000 0.444 383 Q N 0.075 119.868 119.800 -0.012 0.000 2.480 383 Q HA -0.195 4.144 4.340 -0.001 0.000 0.265 383 Q C -0.051 175.889 176.000 -0.100 0.000 1.072 383 Q CA 1.196 56.959 55.803 -0.066 0.000 1.018 383 Q CB -2.067 26.641 28.738 -0.051 0.000 1.433 383 Q HN 0.740 nan 8.270 nan 0.000 0.513 384 G N 0.060 108.805 108.800 -0.091 0.000 2.857 384 G HA2 0.683 4.643 3.960 -0.001 0.000 0.217 384 G HA3 0.683 4.643 3.960 -0.001 0.000 0.217 384 G C -0.343 174.427 174.900 -0.217 0.000 1.357 384 G CA -0.025 45.045 45.100 -0.049 0.000 1.033 384 G HN 0.184 nan 8.290 nan 0.000 0.571 385 Q N -1.364 118.471 119.800 0.058 0.000 2.353 385 Q HA 0.560 4.899 4.340 -0.001 0.000 0.275 385 Q C -2.008 174.198 176.000 0.344 0.000 1.029 385 Q CA -0.914 54.946 55.803 0.096 0.000 0.848 385 Q CB 2.191 31.035 28.738 0.176 0.000 1.390 385 Q HN 0.488 nan 8.270 nan 0.000 0.401 386 L N 2.587 124.035 121.223 0.374 0.000 2.307 386 L HA 0.642 4.981 4.340 -0.001 0.000 0.282 386 L C -1.625 175.433 176.870 0.313 0.000 1.051 386 L CA -0.396 54.633 54.840 0.316 0.000 0.804 386 L CB 1.237 43.431 42.059 0.224 0.000 1.197 386 L HN 0.719 nan 8.230 nan 0.000 0.431 387 F N 5.585 125.640 119.950 0.175 0.000 2.445 387 F HA 0.596 5.122 4.527 -0.001 0.000 0.348 387 F C -1.023 174.834 175.800 0.094 0.000 1.125 387 F CA -0.660 57.428 58.000 0.147 0.000 0.983 387 F CB 1.333 40.410 39.000 0.128 0.000 1.198 387 F HN 0.193 nan 8.300 nan 0.000 0.436 388 V N 6.734 126.316 119.914 -0.553 0.000 2.370 388 V HA 0.557 4.676 4.120 -0.001 0.000 0.279 388 V C 0.786 176.602 176.094 -0.463 0.000 1.029 388 V CA -0.275 61.820 62.300 -0.340 0.000 0.870 388 V CB 0.793 32.495 31.823 -0.203 0.000 0.984 388 V HN 0.928 nan 8.190 nan 0.000 0.451 389 G N 4.124 112.817 108.800 -0.179 0.000 2.494 389 G HA2 0.273 4.233 3.960 -0.001 0.000 0.270 389 G HA3 0.273 4.233 3.960 -0.001 0.000 0.270 389 G C -0.105 174.739 174.900 -0.093 0.000 1.423 389 G CA -0.509 44.537 45.100 -0.089 0.000 1.055 389 G HN 0.598 nan 8.290 nan 0.000 0.536 390 N N -1.622 117.047 118.700 -0.052 0.000 2.671 390 N HA 0.532 5.271 4.740 -0.001 0.000 0.303 390 N C 0.527 176.006 175.510 -0.052 0.000 1.277 390 N CA 0.198 53.214 53.050 -0.056 0.000 0.933 390 N CB 1.483 39.943 38.487 -0.045 0.000 1.190 390 N HN 0.678 nan 8.380 nan 0.000 0.600 391 S N -0.950 114.713 115.700 -0.062 0.000 3.851 391 S HA -0.218 4.251 4.470 -0.001 0.000 0.629 391 S C 1.424 175.973 174.600 -0.085 0.000 2.251 391 S CA 0.663 58.808 58.200 -0.092 0.000 3.800 391 S CB -1.393 61.748 63.200 -0.099 0.000 0.245 391 S HN 0.484 nan 8.310 nan 0.000 0.939 392 L N 1.160 122.329 121.223 -0.090 0.000 2.042 392 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 392 L C 2.625 179.468 176.870 -0.045 0.000 1.076 392 L CA 1.991 56.790 54.840 -0.068 0.000 0.749 392 L CB -0.653 41.369 42.059 -0.062 0.000 0.893 392 L HN 0.587 nan 8.230 nan 0.000 0.432 393 V N -0.543 119.348 119.914 -0.039 0.000 2.231 393 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 393 V C 2.404 178.478 176.094 -0.033 0.000 1.054 393 V CA 2.219 64.504 62.300 -0.026 0.000 1.015 393 V CB -0.063 31.749 31.823 -0.018 0.000 0.638 393 V HN 0.267 nan 8.190 nan 0.000 0.444 394 V N 0.310 120.193 119.914 -0.052 0.000 2.392 394 V HA -0.284 3.835 4.120 -0.001 0.000 0.249 394 V C 2.727 178.793 176.094 -0.048 0.000 1.059 394 V CA 2.807 65.071 62.300 -0.060 0.000 1.051 394 V CB -0.611 31.165 31.823 -0.078 0.000 0.658 394 V HN 0.632 nan 8.190 nan 0.000 0.455 395 R N -0.930 119.543 120.500 -0.045 0.000 2.075 395 R HA 0.060 4.399 4.340 -0.001 0.000 0.226 395 R C 2.252 178.533 176.300 -0.032 0.000 1.114 395 R CA 1.430 57.505 56.100 -0.042 0.000 0.972 395 R CB -0.309 29.963 30.300 -0.047 0.000 0.869 395 R HN 0.434 nan 8.270 nan 0.000 0.437 396 L N 0.437 121.645 121.223 -0.024 0.000 2.056 396 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 396 L C 2.318 179.191 176.870 0.005 0.000 1.078 396 L CA 1.214 56.050 54.840 -0.006 0.000 0.749 396 L CB -0.324 41.737 42.059 0.004 0.000 0.901 396 L HN 0.165 nan 8.230 nan 0.000 0.433 397 I N 0.061 120.629 120.570 -0.003 0.000 2.226 397 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 397 I C 2.196 178.303 176.117 -0.016 0.000 1.100 397 I CA 1.580 62.877 61.300 -0.005 0.000 1.374 397 I CB -0.324 37.666 38.000 -0.016 0.000 1.057 397 I HN 0.310 nan 8.210 nan 0.000 0.413 398 D N 0.945 121.329 120.400 -0.026 0.000 2.178 398 D HA -0.156 4.483 4.640 -0.001 0.000 0.201 398 D C 1.993 178.275 176.300 -0.029 0.000 0.980 398 D CA 1.416 55.397 54.000 -0.032 0.000 0.842 398 D CB 0.188 40.963 40.800 -0.042 0.000 0.948 398 D HN 0.317 nan 8.370 nan 0.000 0.472 399 A N -0.781 122.026 122.820 -0.023 0.000 2.044 399 A HA 0.244 4.563 4.320 -0.001 0.000 0.213 399 A C 1.938 179.529 177.584 0.011 0.000 1.169 399 A CA 0.334 52.355 52.037 -0.026 0.000 0.724 399 A CB 0.026 19.005 19.000 -0.035 0.000 0.840 399 A HN 0.330 nan 8.150 nan 0.000 0.463 400 L N -1.722 119.526 121.223 0.042 0.000 2.878 400 L HA 0.258 4.597 4.340 -0.001 0.000 0.253 400 L C 0.903 177.884 176.870 0.185 0.000 1.135 400 L CA 0.006 54.914 54.840 0.113 0.000 0.943 400 L CB 0.595 42.719 42.059 0.108 0.000 1.307 400 L HN 0.225 nan 8.230 nan 0.000 0.545 401 S N -0.130 115.605 115.700 0.057 0.000 2.747 401 S HA 0.413 4.882 4.470 -0.001 0.000 0.300 401 S C -0.671 173.899 174.600 -0.049 0.000 1.121 401 S CA -0.351 57.823 58.200 -0.042 0.000 0.995 401 S CB 1.704 64.852 63.200 -0.087 0.000 1.113 401 S HN 0.192 nan 8.310 nan 0.000 0.547 402 Q N 2.676 122.412 119.800 -0.106 0.000 2.490 402 Q HA 0.429 4.768 4.340 -0.001 0.000 0.255 402 Q C -1.370 174.565 176.000 -0.108 0.000 0.997 402 Q CA -0.410 55.345 55.803 -0.080 0.000 0.709 402 Q CB 0.543 29.239 28.738 -0.071 0.000 1.255 402 Q HN 0.625 nan 8.270 nan 0.000 0.486 403 L N 4.279 125.450 121.223 -0.087 0.000 2.418 403 L HA 0.527 4.866 4.340 -0.001 0.000 0.265 403 L C -1.979 174.846 176.870 -0.074 0.000 1.143 403 L CA -1.989 52.789 54.840 -0.104 0.000 0.809 403 L CB 0.235 42.249 42.059 -0.076 0.000 1.124 403 L HN 0.497 nan 8.230 nan 0.000 0.456 404 P HA 0.191 nan 4.420 nan 0.000 0.279 404 P C -0.855 176.457 177.300 0.019 0.000 1.252 404 P CA -0.601 62.479 63.100 -0.034 0.000 0.811 404 P CB 0.776 32.453 31.700 -0.038 0.000 1.035 405 A N 1.458 124.285 122.820 0.012 0.000 2.546 405 A HA 0.420 4.739 4.320 -0.001 0.000 0.243 405 A C 1.470 179.073 177.584 0.032 0.000 1.063 405 A CA 0.802 52.850 52.037 0.019 0.000 0.757 405 A CB -1.576 17.431 19.000 0.012 0.000 0.991 405 A HN 0.909 nan 8.150 nan 0.000 0.503 406 G N 0.401 109.212 108.800 0.018 0.000 2.179 406 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 406 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 406 G C 0.080 174.965 174.900 -0.025 0.000 0.977 406 G CA 0.629 45.725 45.100 -0.007 0.000 0.641 406 G HN 1.305 nan 8.290 nan 0.000 0.533 407 Y N 2.569 122.824 120.300 -0.075 0.000 2.452 407 Y HA 0.513 5.062 4.550 -0.001 0.000 0.348 407 Y C -1.963 173.863 175.900 -0.124 0.000 0.985 407 Y CA -2.272 55.776 58.100 -0.087 0.000 1.214 407 Y CB 1.170 39.579 38.460 -0.084 0.000 1.136 407 Y HN 0.031 nan 8.280 nan 0.000 0.523 408 P HA 0.008 nan 4.420 nan 0.000 0.262 408 P C -1.157 175.915 177.300 -0.379 0.000 1.199 408 P CA 0.347 63.195 63.100 -0.420 0.000 0.763 408 P CB 0.509 31.972 31.700 -0.395 0.000 0.790 409 V N 5.964 125.611 119.914 -0.445 0.000 2.417 409 V HA 0.383 4.502 4.120 -0.001 0.000 0.291 409 V C -0.453 175.323 176.094 -0.532 0.000 1.024 409 V CA -0.411 61.700 62.300 -0.316 0.000 0.861 409 V CB 0.777 32.516 31.823 -0.141 0.000 0.985 409 V HN 0.376 nan 8.190 nan 0.000 0.436 410 Y N 2.082 122.396 120.300 0.023 0.000 2.524 410 Y HA 0.806 5.356 4.550 -0.001 0.000 0.344 410 Y C 0.478 176.238 175.900 -0.233 0.000 1.012 410 Y CA -0.661 57.453 58.100 0.024 0.000 1.068 410 Y CB 2.467 41.057 38.460 0.216 0.000 1.249 410 Y HN 0.768 nan 8.280 nan 0.000 0.468 411 S N 0.206 115.880 115.700 -0.043 0.000 2.636 411 S HA 0.495 4.964 4.470 -0.001 0.000 0.268 411 S C -1.770 172.801 174.600 -0.048 0.000 1.159 411 S CA -1.217 56.761 58.200 -0.370 0.000 0.815 411 S CB 1.527 64.553 63.200 -0.289 0.000 1.130 411 S HN 0.464 nan 8.310 nan 0.000 0.471 412 N N 1.043 119.714 118.700 -0.048 0.000 2.936 412 N HA 0.405 5.144 4.740 -0.001 0.000 0.243 412 N C -0.351 175.154 175.510 -0.008 0.000 1.149 412 N CA -0.457 52.620 53.050 0.044 0.000 0.914 412 N CB 0.666 39.220 38.487 0.111 0.000 1.179 412 N HN 0.373 nan 8.380 nan 0.000 0.502 413 R N 0.078 120.569 120.500 -0.015 0.000 2.546 413 R HA 0.265 4.604 4.340 -0.001 0.000 0.320 413 R C 1.476 177.772 176.300 -0.006 0.000 1.021 413 R CA -0.268 55.819 56.100 -0.022 0.000 1.088 413 R CB 0.113 30.391 30.300 -0.037 0.000 1.278 413 R HN 0.421 nan 8.270 nan 0.000 0.557 414 G N 0.728 109.531 108.800 0.004 0.000 2.616 414 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.215 414 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.215 414 G C 1.117 176.020 174.900 0.004 0.000 1.284 414 G CA 0.895 45.998 45.100 0.006 0.000 0.823 414 G HN 0.340 nan 8.290 nan 0.000 0.569 415 A N -1.131 121.691 122.820 0.003 0.000 2.195 415 A HA 0.482 4.801 4.320 -0.001 0.000 0.210 415 A C 1.407 178.990 177.584 -0.001 0.000 1.165 415 A CA 1.233 53.269 52.037 -0.001 0.000 0.806 415 A CB -0.016 18.976 19.000 -0.014 0.000 0.847 415 A HN 0.907 nan 8.150 nan 0.000 0.482 416 S N -0.700 114.998 115.700 -0.003 0.000 3.706 416 S HA -0.128 4.342 4.470 -0.001 0.000 0.363 416 S C 0.671 175.261 174.600 -0.017 0.000 0.999 416 S CA 0.298 58.492 58.200 -0.011 0.000 1.143 416 S CB -1.829 61.365 63.200 -0.010 0.000 0.902 416 S HN 1.373 nan 8.310 nan 0.000 0.476 417 G N 0.586 109.372 108.800 -0.025 0.000 2.403 417 G HA2 0.500 4.459 3.960 -0.001 0.000 0.259 417 G HA3 0.500 4.459 3.960 -0.001 0.000 0.259 417 G C 0.797 175.624 174.900 -0.121 0.000 1.244 417 G CA -0.539 44.521 45.100 -0.067 0.000 0.849 417 G HN 0.837 nan 8.290 nan 0.000 0.532 418 I N -0.103 120.367 120.570 -0.166 0.000 3.749 418 I HA 0.198 4.367 4.170 -0.001 0.000 0.314 418 I C 0.696 176.501 176.117 -0.521 0.000 1.278 418 I CA -0.118 61.063 61.300 -0.199 0.000 1.158 418 I CB 0.265 38.245 38.000 -0.033 0.000 1.018 418 I HN 0.368 nan 8.210 nan 0.000 0.435 419 D N 0.605 120.570 120.400 -0.725 0.000 2.398 419 D HA 0.114 4.754 4.640 -0.001 0.000 0.210 419 D C 1.354 177.248 176.300 -0.677 0.000 1.094 419 D CA 0.474 53.783 54.000 -1.153 0.000 0.839 419 D CB 0.544 40.679 40.800 -1.108 0.000 0.963 419 D HN 0.396 nan 8.370 nan 0.000 0.506 420 G N 0.436 108.794 108.800 -0.737 0.000 4.385 420 G HA2 0.197 4.157 3.960 -0.001 0.000 0.283 420 G HA3 0.197 4.157 3.960 -0.001 0.000 0.283 420 G C 1.141 175.725 174.900 -0.526 0.000 1.020 420 G CA -0.246 44.198 45.100 -1.095 0.000 0.790 420 G HN 0.126 nan 8.290 nan 0.000 0.420 421 L N 0.155 121.219 121.223 -0.265 0.000 2.093 421 L HA 0.040 4.380 4.340 -0.001 0.000 0.208 421 L C 2.657 179.419 176.870 -0.180 0.000 1.085 421 L CA 0.951 55.754 54.840 -0.061 0.000 0.755 421 L CB -0.168 41.935 42.059 0.074 0.000 0.904 421 L HN 0.220 nan 8.230 nan 0.000 0.435 422 L N -0.932 120.183 121.223 -0.179 0.000 2.095 422 L HA -0.111 4.228 4.340 -0.001 0.000 0.204 422 L C 2.826 179.535 176.870 -0.268 0.000 1.080 422 L CA 1.429 56.151 54.840 -0.198 0.000 0.759 422 L CB -0.752 41.228 42.059 -0.132 0.000 0.914 422 L HN 0.346 nan 8.230 nan 0.000 0.439 423 S N -1.178 114.365 115.700 -0.260 0.000 2.383 423 S HA -0.146 4.323 4.470 -0.001 0.000 0.227 423 S C 1.936 176.368 174.600 -0.279 0.000 1.026 423 S CA 1.535 59.570 58.200 -0.275 0.000 0.981 423 S CB -0.811 62.256 63.200 -0.222 0.000 0.818 423 S HN 0.322 nan 8.310 nan 0.000 0.472 424 T N 2.804 117.189 114.554 -0.282 0.000 2.720 424 T HA 0.025 4.374 4.350 -0.001 0.000 0.268 424 T C 2.194 176.554 174.700 -0.566 0.000 1.037 424 T CA 1.416 63.329 62.100 -0.312 0.000 1.144 424 T CB -0.722 68.042 68.868 -0.174 0.000 0.864 424 T HN 0.612 nan 8.240 nan 0.000 0.444 425 A N 1.350 123.696 122.820 -0.790 0.000 1.930 425 A HA 0.229 4.548 4.320 -0.001 0.000 0.217 425 A C 2.647 179.981 177.584 -0.416 0.000 1.175 425 A CA 1.662 53.192 52.037 -0.844 0.000 0.627 425 A CB -1.033 17.535 19.000 -0.721 0.000 0.815 425 A HN 0.499 nan 8.150 nan 0.000 0.443 426 A N -0.360 122.260 122.820 -0.333 0.000 1.933 426 A HA 0.103 4.422 4.320 -0.001 0.000 0.218 426 A C 2.360 179.793 177.584 -0.251 0.000 1.175 426 A CA 1.935 53.827 52.037 -0.242 0.000 0.628 426 A CB -1.301 17.556 19.000 -0.238 0.000 0.814 426 A HN 0.684 nan 8.150 nan 0.000 0.444 427 G N -0.457 108.159 108.800 -0.306 0.000 2.433 427 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.216 427 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.216 427 G C 1.523 176.240 174.900 -0.304 0.000 1.186 427 G CA 1.207 46.108 45.100 -0.331 0.000 0.779 427 G HN 0.307 nan 8.290 nan 0.000 0.543 428 V N 0.547 120.279 119.914 -0.303 0.000 2.324 428 V HA -0.245 3.874 4.120 -0.001 0.000 0.250 428 V C 2.898 178.883 176.094 -0.182 0.000 1.060 428 V CA 2.232 64.361 62.300 -0.284 0.000 1.042 428 V CB -0.390 31.296 31.823 -0.228 0.000 0.650 428 V HN 0.352 nan 8.190 nan 0.000 0.450 429 Q N 0.242 119.963 119.800 -0.132 0.000 2.046 429 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 429 Q C 2.430 178.397 176.000 -0.055 0.000 0.975 429 Q CA 1.677 57.448 55.803 -0.054 0.000 0.836 429 Q CB -0.227 28.492 28.738 -0.031 0.000 0.896 429 Q HN 0.565 nan 8.270 nan 0.000 0.428 430 R N -0.327 120.117 120.500 -0.094 0.000 2.148 430 R HA -0.043 4.296 4.340 -0.001 0.000 0.227 430 R C 2.200 178.471 176.300 -0.048 0.000 1.103 430 R CA 0.908 56.980 56.100 -0.045 0.000 0.983 430 R CB -0.187 30.088 30.300 -0.042 0.000 0.874 430 R HN 0.246 nan 8.270 nan 0.000 0.451 431 A N 0.616 123.356 122.820 -0.134 0.000 1.872 431 A HA -0.139 4.181 4.320 -0.001 0.000 0.214 431 A C 2.125 179.698 177.584 -0.018 0.000 1.187 431 A CA 1.815 53.782 52.037 -0.116 0.000 0.614 431 A CB -0.276 18.602 19.000 -0.203 0.000 0.826 431 A HN 0.398 nan 8.150 nan 0.000 0.442 432 S N -2.624 113.058 115.700 -0.031 0.000 2.503 432 S HA 0.393 4.862 4.470 -0.001 0.000 0.215 432 S C 1.449 176.063 174.600 0.024 0.000 1.003 432 S CA 1.137 59.340 58.200 0.005 0.000 0.910 432 S CB -0.034 63.173 63.200 0.011 0.000 0.790 432 S HN 1.941 nan 8.310 nan 0.000 0.514 433 G N 1.271 110.086 108.800 0.026 0.000 2.153 433 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.252 433 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.252 433 G C -0.107 174.820 174.900 0.045 0.000 0.994 433 G CA 0.452 45.577 45.100 0.040 0.000 0.698 433 G HN 0.593 nan 8.290 nan 0.000 0.521 434 K N 0.948 121.375 120.400 0.045 0.000 2.123 434 K HA 0.484 4.803 4.320 -0.001 0.000 0.259 434 K C -2.265 174.387 176.600 0.086 0.000 0.960 434 K CA -2.130 54.187 56.287 0.051 0.000 0.872 434 K CB 1.735 34.257 32.500 0.037 0.000 1.079 434 K HN -0.019 nan 8.250 nan 0.000 0.440 435 P HA -0.001 nan 4.420 nan 0.000 0.267 435 P C -0.929 176.486 177.300 0.192 0.000 1.205 435 P CA 0.045 63.240 63.100 0.159 0.000 0.765 435 P CB 0.621 32.359 31.700 0.065 0.000 0.828 436 T N 3.773 118.520 114.554 0.322 0.000 2.876 436 T HA 0.444 4.794 4.350 -0.001 0.000 0.289 436 T C -0.610 174.372 174.700 0.469 0.000 1.014 436 T CA -0.436 61.856 62.100 0.320 0.000 0.986 436 T CB 1.162 70.161 68.868 0.219 0.000 1.021 436 T HN 0.204 nan 8.240 nan 0.000 0.458 437 L N 3.340 124.835 121.223 0.454 0.000 2.298 437 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 437 L C -0.566 176.513 176.870 0.349 0.000 1.013 437 L CA -0.517 54.605 54.840 0.470 0.000 0.824 437 L CB 0.448 42.817 42.059 0.516 0.000 1.221 437 L HN 0.784 nan 8.230 nan 0.000 0.418 438 A N 6.626 129.618 122.820 0.287 0.000 2.331 438 A HA 0.865 5.184 4.320 -0.001 0.000 0.320 438 A C -0.885 176.825 177.584 0.210 0.000 1.138 438 A CA -0.491 51.722 52.037 0.292 0.000 0.790 438 A CB 0.707 19.832 19.000 0.208 0.000 1.206 438 A HN 0.682 nan 8.150 nan 0.000 0.470 439 I N 1.971 122.661 120.570 0.201 0.000 2.582 439 I HA 0.646 4.815 4.170 -0.001 0.000 0.292 439 I C -0.991 175.175 176.117 0.080 0.000 1.066 439 I CA -0.949 60.417 61.300 0.111 0.000 1.053 439 I CB 2.151 40.210 38.000 0.097 0.000 1.241 439 I HN 0.368 nan 8.210 nan 0.000 0.421 440 V N 3.250 123.181 119.914 0.028 0.000 3.077 440 V HA 0.581 4.700 4.120 -0.001 0.000 0.299 440 V C 0.252 176.326 176.094 -0.033 0.000 1.276 440 V CA -0.470 61.835 62.300 0.009 0.000 0.993 440 V CB 2.386 34.217 31.823 0.012 0.000 1.076 440 V HN 0.919 nan 8.190 nan 0.000 0.434 441 G N 1.297 110.087 108.800 -0.018 0.000 2.588 441 G HA2 0.289 4.249 3.960 -0.001 0.000 0.278 441 G HA3 0.289 4.249 3.960 -0.001 0.000 0.278 441 G C 0.725 175.618 174.900 -0.011 0.000 1.307 441 G CA 0.493 45.586 45.100 -0.013 0.000 1.016 441 G HN 0.850 nan 8.290 nan 0.000 0.503 442 D N -0.861 119.567 120.400 0.046 0.000 2.120 442 D HA -0.132 4.507 4.640 -0.001 0.000 0.202 442 D C 2.401 178.829 176.300 0.213 0.000 0.972 442 D CA 0.620 54.706 54.000 0.143 0.000 0.837 442 D CB -0.187 40.759 40.800 0.242 0.000 0.989 442 D HN 0.333 nan 8.370 nan 0.000 0.469 443 L N 1.039 122.362 121.223 0.167 0.000 2.079 443 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 443 L C 2.858 179.856 176.870 0.213 0.000 1.081 443 L CA 1.113 56.065 54.840 0.187 0.000 0.752 443 L CB -0.600 41.566 42.059 0.178 0.000 0.896 443 L HN 0.029 nan 8.230 nan 0.000 0.433 444 S N 0.221 116.010 115.700 0.149 0.000 2.353 444 S HA -0.203 4.266 4.470 -0.001 0.000 0.222 444 S C 2.237 176.908 174.600 0.118 0.000 1.035 444 S CA 1.385 59.654 58.200 0.114 0.000 1.025 444 S CB -0.362 62.863 63.200 0.042 0.000 0.902 444 S HN 0.518 nan 8.310 nan 0.000 0.440 445 A N 1.146 124.010 122.820 0.073 0.000 1.933 445 A HA -0.005 4.315 4.320 -0.001 0.000 0.218 445 A C 2.123 179.848 177.584 0.236 0.000 1.175 445 A CA 1.107 53.177 52.037 0.055 0.000 0.628 445 A CB -0.670 18.193 19.000 -0.228 0.000 0.814 445 A HN 0.453 nan 8.150 nan 0.000 0.444 446 L N -2.437 118.971 121.223 0.309 0.000 2.056 446 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 446 L C 2.565 179.571 176.870 0.226 0.000 1.078 446 L CA 1.413 56.420 54.840 0.278 0.000 0.749 446 L CB -0.527 41.661 42.059 0.215 0.000 0.901 446 L HN 0.506 nan 8.230 nan 0.000 0.433 447 Y N 0.491 120.849 120.300 0.097 0.000 2.145 447 Y HA -0.268 4.281 4.550 -0.002 0.000 0.286 447 Y C 1.947 177.881 175.900 0.056 0.000 1.145 447 Y CA 1.716 59.856 58.100 0.067 0.000 1.148 447 Y CB -0.035 38.453 38.460 0.045 0.000 0.981 447 Y HN 0.135 nan 8.280 nan 0.000 0.507 448 D N -0.616 119.941 120.400 0.260 0.000 2.463 448 D HA 0.023 4.662 4.640 -0.001 0.000 0.224 448 D C 1.734 178.100 176.300 0.110 0.000 1.174 448 D CA -0.016 54.064 54.000 0.133 0.000 0.829 448 D CB -0.332 40.464 40.800 -0.007 0.000 0.993 448 D HN 0.233 nan 8.370 nan 0.000 0.497 449 L N 1.571 122.895 121.223 0.168 0.000 2.054 449 L HA -0.301 4.039 4.340 -0.001 0.000 0.220 449 L C 1.632 178.578 176.870 0.127 0.000 1.081 449 L CA 2.112 57.061 54.840 0.183 0.000 0.780 449 L CB -0.795 41.407 42.059 0.238 0.000 0.893 449 L HN 0.243 nan 8.230 nan 0.000 0.438 450 N N -0.365 118.435 118.700 0.166 0.000 2.550 450 N HA -0.057 4.682 4.740 -0.001 0.000 0.186 450 N C 1.454 176.972 175.510 0.014 0.000 1.110 450 N CA 1.093 54.257 53.050 0.191 0.000 0.912 450 N CB -0.728 38.014 38.487 0.424 0.000 0.968 450 N HN 0.393 nan 8.380 nan 0.000 0.448 451 A N 0.427 123.212 122.820 -0.058 0.000 2.216 451 A HA 0.120 4.439 4.320 -0.001 0.000 0.214 451 A C 2.031 179.440 177.584 -0.290 0.000 1.160 451 A CA 0.295 52.211 52.037 -0.202 0.000 0.725 451 A CB -0.714 18.166 19.000 -0.200 0.000 0.784 451 A HN 0.350 nan 8.150 nan 0.000 0.472 452 L N -1.040 119.954 121.223 -0.382 0.000 2.191 452 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 452 L C 2.978 179.469 176.870 -0.631 0.000 1.103 452 L CA 0.826 55.382 54.840 -0.473 0.000 0.769 452 L CB -0.570 41.235 42.059 -0.423 0.000 0.908 452 L HN 0.445 nan 8.230 nan 0.000 0.438 453 A N 0.420 122.767 122.820 -0.788 0.000 1.940 453 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 453 A C 2.264 179.806 177.584 -0.070 0.000 1.176 453 A CA 1.516 53.408 52.037 -0.242 0.000 0.631 453 A CB -0.623 18.504 19.000 0.211 0.000 0.814 453 A HN 0.389 nan 8.150 nan 0.000 0.446 454 L N -0.742 120.376 121.223 -0.174 0.000 2.093 454 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 454 L C 1.836 178.637 176.870 -0.114 0.000 1.085 454 L CA 0.698 55.430 54.840 -0.180 0.000 0.755 454 L CB -0.412 41.430 42.059 -0.363 0.000 0.904 454 L HN 0.348 nan 8.230 nan 0.000 0.435 455 L N -0.434 120.714 121.223 -0.124 0.000 2.711 455 L HA -0.061 4.278 4.340 -0.001 0.000 0.242 455 L C 2.047 178.911 176.870 -0.010 0.000 1.153 455 L CA 0.282 55.080 54.840 -0.070 0.000 0.898 455 L CB -0.417 41.596 42.059 -0.077 0.000 1.044 455 L HN 0.204 nan 8.230 nan 0.000 0.437 456 R N -0.520 119.988 120.500 0.013 0.000 2.223 456 R HA 0.070 4.409 4.340 -0.001 0.000 0.198 456 R C 0.422 176.753 176.300 0.052 0.000 0.984 456 R CA 0.383 56.516 56.100 0.056 0.000 1.018 456 R CB 0.254 30.613 30.300 0.098 0.000 0.945 456 R HN 0.364 nan 8.270 nan 0.000 0.479 457 Q N 1.441 121.265 119.800 0.040 0.000 2.560 457 Q HA 0.247 4.586 4.340 -0.001 0.000 0.238 457 Q C -1.132 174.890 176.000 0.036 0.000 1.079 457 Q CA -0.462 55.368 55.803 0.045 0.000 0.866 457 Q CB 1.702 30.473 28.738 0.055 0.000 1.153 457 Q HN 0.031 nan 8.270 nan 0.000 0.530 458 V N -1.396 118.542 119.914 0.039 0.000 2.769 458 V HA 0.503 4.623 4.120 -0.001 0.000 0.312 458 V C 0.844 176.971 176.094 0.054 0.000 1.061 458 V CA -0.595 61.729 62.300 0.040 0.000 0.931 458 V CB 1.953 33.798 31.823 0.035 0.000 1.010 458 V HN 0.577 nan 8.190 nan 0.000 0.433 459 S N 1.484 117.218 115.700 0.057 0.000 2.528 459 S HA 0.660 5.129 4.470 -0.001 0.000 0.219 459 S C 0.649 175.291 174.600 0.070 0.000 0.985 459 S CA 0.375 58.611 58.200 0.061 0.000 0.914 459 S CB -0.029 63.206 63.200 0.059 0.000 0.776 459 S HN 1.991 nan 8.310 nan 0.000 0.526 460 A N 1.318 124.189 122.820 0.084 0.000 2.609 460 A HA 0.721 5.040 4.320 -0.001 0.000 0.291 460 A C -3.190 174.483 177.584 0.148 0.000 1.096 460 A CA -1.960 50.144 52.037 0.112 0.000 0.684 460 A CB 0.334 19.400 19.000 0.110 0.000 1.282 460 A HN 0.081 nan 8.150 nan 0.000 0.412 461 P HA 0.114 nan 4.420 nan 0.000 0.259 461 P C -0.823 176.652 177.300 0.292 0.000 1.163 461 P CA 0.782 64.037 63.100 0.259 0.000 0.760 461 P CB 0.226 32.199 31.700 0.455 0.000 0.762 462 L N 4.942 126.264 121.223 0.165 0.000 2.343 462 L HA 0.372 4.711 4.340 -0.001 0.000 0.278 462 L C -0.681 176.207 176.870 0.031 0.000 0.996 462 L CA -0.882 54.046 54.840 0.147 0.000 0.831 462 L CB 1.717 43.826 42.059 0.084 0.000 1.232 462 L HN 0.016 nan 8.230 nan 0.000 0.413 463 V N 5.788 125.714 119.914 0.020 0.000 2.407 463 V HA 0.318 4.437 4.120 -0.001 0.000 0.278 463 V C -0.260 175.832 176.094 -0.003 0.000 1.037 463 V CA -0.499 61.724 62.300 -0.129 0.000 0.900 463 V CB 1.598 33.237 31.823 -0.306 0.000 0.983 463 V HN 0.541 nan 8.190 nan 0.000 0.459 464 L N 7.515 128.705 121.223 -0.055 0.000 2.295 464 L HA 0.575 4.914 4.340 -0.001 0.000 0.281 464 L C -0.358 176.475 176.870 -0.062 0.000 1.018 464 L CA 0.233 55.059 54.840 -0.023 0.000 0.841 464 L CB 0.794 42.835 42.059 -0.031 0.000 1.218 464 L HN 0.516 nan 8.230 nan 0.000 0.424 465 I N 6.037 126.594 120.570 -0.021 0.000 2.312 465 I HA 0.236 4.405 4.170 -0.001 0.000 0.291 465 I C -0.448 175.623 176.117 -0.077 0.000 1.031 465 I CA -0.676 60.593 61.300 -0.052 0.000 1.293 465 I CB 1.239 39.251 38.000 0.021 0.000 1.403 465 I HN 0.256 nan 8.210 nan 0.000 0.484 466 V N 7.832 127.660 119.914 -0.143 0.000 2.318 466 V HA 0.160 4.280 4.120 -0.001 0.000 0.271 466 V C 0.334 176.349 176.094 -0.132 0.000 1.030 466 V CA -0.647 61.520 62.300 -0.222 0.000 0.844 466 V CB 1.367 32.872 31.823 -0.530 0.000 1.015 466 V HN 0.394 nan 8.190 nan 0.000 0.460 467 V N 5.005 124.869 119.914 -0.083 0.000 2.439 467 V HA 0.198 4.317 4.120 -0.001 0.000 0.271 467 V C 0.461 176.550 176.094 -0.009 0.000 1.040 467 V CA -0.122 62.152 62.300 -0.044 0.000 1.002 467 V CB 0.950 32.752 31.823 -0.034 0.000 1.000 467 V HN 0.861 nan 8.190 nan 0.000 0.477 468 N N 4.871 123.594 118.700 0.039 0.000 2.546 468 N HA 0.228 4.967 4.740 -0.001 0.000 0.238 468 N C 0.241 175.793 175.510 0.070 0.000 0.984 468 N CA -0.559 52.553 53.050 0.104 0.000 0.935 468 N CB 0.843 39.460 38.487 0.217 0.000 1.122 468 N HN 0.715 nan 8.380 nan 0.000 0.510 469 N N 2.254 120.986 118.700 0.054 0.000 2.235 469 N HA 0.121 4.860 4.740 -0.001 0.000 0.231 469 N C -0.548 174.989 175.510 0.045 0.000 1.177 469 N CA -0.456 52.618 53.050 0.040 0.000 0.874 469 N CB -0.282 38.218 38.487 0.023 0.000 1.097 469 N HN 0.356 nan 8.380 nan 0.000 0.518 470 N N 0.412 119.144 118.700 0.053 0.000 2.621 470 N HA -0.057 4.682 4.740 -0.001 0.000 0.269 470 N C -0.045 175.499 175.510 0.055 0.000 1.154 470 N CA 1.428 54.502 53.050 0.040 0.000 0.696 470 N CB -1.285 37.212 38.487 0.017 0.000 0.878 470 N HN 0.985 nan 8.380 nan 0.000 0.550 471 G N -0.838 108.008 108.800 0.077 0.000 2.423 471 G HA2 0.400 4.359 3.960 -0.001 0.000 0.684 471 G HA3 0.400 4.359 3.960 -0.001 0.000 0.684 471 G C 0.197 175.164 174.900 0.111 0.000 1.309 471 G CA 0.083 45.245 45.100 0.103 0.000 0.950 471 G HN 1.055 nan 8.290 nan 0.000 0.587 472 G N -0.236 108.665 108.800 0.168 0.000 2.716 472 G HA2 0.438 4.397 3.960 -0.001 0.000 0.296 472 G HA3 0.438 4.397 3.960 -0.001 0.000 0.296 472 G C 0.858 175.764 174.900 0.010 0.000 0.811 472 G CA 0.089 45.248 45.100 0.099 0.000 1.758 472 G HN 0.562 nan 8.290 nan 0.000 0.512 473 Q N 2.041 121.821 119.800 -0.032 0.000 2.436 473 Q HA -0.033 4.307 4.340 -0.001 0.000 0.209 473 Q C 2.302 178.234 176.000 -0.114 0.000 0.965 473 Q CA 0.032 55.819 55.803 -0.027 0.000 0.910 473 Q CB 0.090 28.826 28.738 -0.003 0.000 0.980 473 Q HN 0.842 nan 8.270 nan 0.000 0.491 474 I N 0.190 120.594 120.570 -0.276 0.000 2.479 474 I HA -0.281 3.888 4.170 -0.001 0.000 0.258 474 I C 0.802 176.696 176.117 -0.372 0.000 1.165 474 I CA 1.040 62.112 61.300 -0.379 0.000 1.422 474 I CB 0.024 37.713 38.000 -0.518 0.000 1.087 474 I HN -0.002 nan 8.210 nan 0.000 0.441 475 F N -0.327 119.653 119.950 0.050 0.000 2.811 475 F HA 0.079 4.605 4.527 -0.002 0.000 0.301 475 F C 2.287 178.066 175.800 -0.036 0.000 1.151 475 F CA 0.271 58.285 58.000 0.023 0.000 1.412 475 F CB -0.608 38.462 39.000 0.116 0.000 1.113 475 F HN -0.026 nan 8.300 nan 0.000 0.579 476 S N -0.268 115.480 115.700 0.080 0.000 2.517 476 S HA 0.065 4.535 4.470 -0.001 0.000 0.214 476 S C 1.802 176.407 174.600 0.008 0.000 0.991 476 S CA -0.005 58.217 58.200 0.037 0.000 0.906 476 S CB 0.047 63.267 63.200 0.033 0.000 0.789 476 S HN 0.310 nan 8.310 nan 0.000 0.513 477 L N 1.649 122.865 121.223 -0.010 0.000 2.102 477 L HA 0.346 4.685 4.340 -0.001 0.000 0.202 477 L C 0.341 177.209 176.870 -0.003 0.000 1.076 477 L CA 1.208 56.038 54.840 -0.018 0.000 0.761 477 L CB -0.410 41.623 42.059 -0.043 0.000 0.921 477 L HN 0.177 nan 8.230 nan 0.000 0.444 478 L N 2.363 123.595 121.223 0.016 0.000 2.456 478 L HA 0.160 4.499 4.340 -0.001 0.000 0.272 478 L C -1.617 175.261 176.870 0.013 0.000 1.189 478 L CA -1.309 53.556 54.840 0.041 0.000 0.846 478 L CB -0.085 42.050 42.059 0.127 0.000 1.111 478 L HN 0.151 nan 8.230 nan 0.000 0.475 479 P HA 0.021 nan 4.420 nan 0.000 0.232 479 P C -0.036 177.229 177.300 -0.060 0.000 1.738 479 P CA -0.317 62.771 63.100 -0.021 0.000 0.948 479 P CB -0.805 30.890 31.700 -0.009 0.000 1.943 480 T N -0.739 113.743 114.554 -0.120 0.000 2.918 480 T HA 0.284 4.633 4.350 -0.001 0.000 0.302 480 T C -2.136 172.443 174.700 -0.202 0.000 1.045 480 T CA -1.967 59.960 62.100 -0.288 0.000 1.114 480 T CB -0.192 68.309 68.868 -0.612 0.000 0.965 480 T HN 0.083 nan 8.240 nan 0.000 0.540 481 P HA 0.112 nan 4.420 nan 0.000 0.265 481 P C 0.682 177.960 177.300 -0.036 0.000 1.222 481 P CA -0.040 63.022 63.100 -0.063 0.000 0.767 481 P CB 0.610 32.303 31.700 -0.012 0.000 0.801 482 Q N 1.785 121.577 119.800 -0.014 0.000 2.197 482 Q HA -0.168 4.172 4.340 -0.001 0.000 0.207 482 Q C 1.980 178.006 176.000 0.042 0.000 0.984 482 Q CA 1.974 57.782 55.803 0.007 0.000 0.869 482 Q CB -0.269 28.475 28.738 0.011 0.000 0.906 482 Q HN 0.560 nan 8.270 nan 0.000 0.426 483 S N 0.180 115.914 115.700 0.056 0.000 2.453 483 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 483 S C 1.302 175.988 174.600 0.143 0.000 1.005 483 S CA 0.951 59.199 58.200 0.082 0.000 0.949 483 S CB 0.203 63.445 63.200 0.071 0.000 0.774 483 S HN 0.226 nan 8.310 nan 0.000 0.510 484 E N 0.565 120.883 120.200 0.196 0.000 2.489 484 E HA 0.197 4.546 4.350 -0.001 0.000 0.204 484 E C 1.907 178.752 176.600 0.407 0.000 1.006 484 E CA 0.074 56.708 56.400 0.389 0.000 0.936 484 E CB 0.105 30.050 29.700 0.409 0.000 1.002 484 E HN 0.763 nan 8.360 nan 0.000 0.488 485 R N 0.860 121.499 120.500 0.230 0.000 2.092 485 R HA -0.047 4.293 4.340 -0.001 0.000 0.231 485 R C 1.981 178.407 176.300 0.210 0.000 1.119 485 R CA 1.618 57.846 56.100 0.214 0.000 0.970 485 R CB -0.204 30.105 30.300 0.016 0.000 0.864 485 R HN 0.123 nan 8.270 nan 0.000 0.440 486 E N 0.718 120.988 120.200 0.116 0.000 2.031 486 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 486 E C 2.260 178.857 176.600 -0.005 0.000 0.994 486 E CA 1.404 57.839 56.400 0.059 0.000 0.800 486 E CB 0.007 29.720 29.700 0.022 0.000 0.752 486 E HN 0.411 nan 8.360 nan 0.000 0.447 487 R N -1.171 119.259 120.500 -0.116 0.000 2.066 487 R HA -0.023 4.316 4.340 -0.001 0.000 0.224 487 R C 1.493 177.531 176.300 -0.437 0.000 1.122 487 R CA 1.234 57.099 56.100 -0.392 0.000 0.974 487 R CB -0.046 29.816 30.300 -0.731 0.000 0.871 487 R HN 0.195 nan 8.270 nan 0.000 0.435 488 F N -1.591 118.371 119.950 0.020 0.000 2.727 488 F HA 0.227 4.755 4.527 0.001 0.000 0.302 488 F C 0.606 176.192 175.800 -0.357 0.000 1.097 488 F CA 0.059 57.979 58.000 -0.133 0.000 1.330 488 F CB 0.463 39.375 39.000 -0.147 0.000 1.084 488 F HN 0.020 nan 8.300 nan 0.000 0.578 489 Y N -1.839 118.457 120.300 -0.007 0.000 2.921 489 Y HA 0.210 4.758 4.550 -0.003 0.000 0.246 489 Y C 1.911 177.842 175.900 0.051 0.000 1.030 489 Y CA -0.062 57.915 58.100 -0.205 0.000 1.338 489 Y CB -0.203 38.118 38.460 -0.233 0.000 1.493 489 Y HN -0.262 nan 8.280 nan 0.000 0.452 490 L N 0.041 121.453 121.223 0.316 0.000 2.072 490 L HA -0.106 4.234 4.340 -0.001 0.000 0.205 490 L C 0.531 177.506 176.870 0.175 0.000 1.079 490 L CA 0.751 55.761 54.840 0.284 0.000 0.752 490 L CB -0.562 41.614 42.059 0.194 0.000 0.906 490 L HN 0.287 nan 8.230 nan 0.000 0.436 491 M N 0.494 120.147 119.600 0.087 0.000 2.405 491 M HA -0.130 4.350 4.480 -0.001 0.000 0.181 491 M C -2.130 174.194 176.300 0.039 0.000 0.878 491 M CA -0.330 54.988 55.300 0.029 0.000 0.537 491 M CB -1.937 30.678 32.600 0.025 0.000 1.090 491 M HN 0.035 nan 8.290 nan 0.000 0.874 492 P HA -0.062 nan 4.420 nan 0.000 0.264 492 P C 0.176 177.471 177.300 -0.007 0.000 1.183 492 P CA 0.552 63.663 63.100 0.017 0.000 0.763 492 P CB 0.562 32.266 31.700 0.007 0.000 0.807 493 Q N 1.028 120.820 119.800 -0.012 0.000 2.247 493 Q HA 0.069 4.409 4.340 -0.001 0.000 0.211 493 Q C -0.053 175.906 176.000 -0.069 0.000 0.861 493 Q CA -0.139 55.643 55.803 -0.036 0.000 0.949 493 Q CB -0.121 28.603 28.738 -0.024 0.000 1.115 493 Q HN 0.493 nan 8.270 nan 0.000 0.507 494 N N 0.714 119.368 118.700 -0.077 0.000 2.642 494 N HA -0.169 4.571 4.740 -0.001 0.000 0.269 494 N C -0.912 174.503 175.510 -0.159 0.000 1.073 494 N CA 0.511 53.498 53.050 -0.105 0.000 0.748 494 N CB -0.990 37.460 38.487 -0.062 0.000 0.894 494 N HN 0.071 nan 8.380 nan 0.000 0.548 495 V N 0.567 120.318 119.914 -0.271 0.000 3.206 495 V HA 0.547 4.666 4.120 -0.001 0.000 0.305 495 V C -0.679 175.061 176.094 -0.591 0.000 1.257 495 V CA -0.702 61.397 62.300 -0.335 0.000 1.057 495 V CB 2.683 34.320 31.823 -0.311 0.000 1.075 495 V HN 0.493 nan 8.190 nan 0.000 0.443 496 H N 1.303 120.191 119.070 -0.304 0.000 2.931 496 H HA 0.483 5.039 4.556 -0.001 0.000 0.331 496 H C -0.975 174.025 175.328 -0.547 0.000 1.273 496 H CA -0.284 55.611 56.048 -0.255 0.000 1.171 496 H CB 1.833 31.584 29.762 -0.019 0.000 1.898 496 H HN 0.562 nan 8.280 nan 0.000 0.562 497 F N -0.336 119.717 119.950 0.171 0.000 2.661 497 F HA 0.140 4.666 4.527 -0.001 0.000 0.306 497 F C 2.090 177.710 175.800 -0.300 0.000 1.094 497 F CA -0.093 57.935 58.000 0.047 0.000 1.254 497 F CB 0.448 39.548 39.000 0.167 0.000 1.040 497 F HN 0.548 nan 8.300 nan 0.000 0.562 498 E N 0.268 120.125 120.200 -0.571 0.000 2.038 498 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 498 E C 1.848 178.067 176.600 -0.634 0.000 1.000 498 E CA 1.641 57.322 56.400 -1.198 0.000 0.803 498 E CB -0.045 29.097 29.700 -0.931 0.000 0.750 498 E HN 0.451 nan 8.360 nan 0.000 0.448 499 H N -0.462 118.449 119.070 -0.263 0.000 2.395 499 H HA -0.012 4.543 4.556 -0.001 0.000 0.299 499 H C 2.055 177.318 175.328 -0.108 0.000 1.070 499 H CA 1.102 57.050 56.048 -0.167 0.000 1.356 499 H CB -0.196 29.486 29.762 -0.134 0.000 1.401 499 H HN 0.301 nan 8.280 nan 0.000 0.524 500 A N 1.621 124.476 122.820 0.057 0.000 1.851 500 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 500 A C 2.753 180.465 177.584 0.213 0.000 1.195 500 A CA 2.159 54.299 52.037 0.170 0.000 0.622 500 A CB -1.069 18.098 19.000 0.279 0.000 0.831 500 A HN 0.432 nan 8.150 nan 0.000 0.444 501 A N -0.270 122.628 122.820 0.130 0.000 1.873 501 A HA 0.037 4.357 4.320 -0.001 0.000 0.218 501 A C 2.571 180.203 177.584 0.080 0.000 1.193 501 A CA 2.828 54.944 52.037 0.131 0.000 0.629 501 A CB -1.253 17.807 19.000 0.100 0.000 0.826 501 A HN 1.244 nan 8.150 nan 0.000 0.447 502 A N -0.794 122.002 122.820 -0.039 0.000 1.877 502 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 502 A C 2.290 179.841 177.584 -0.056 0.000 1.186 502 A CA 2.099 54.104 52.037 -0.054 0.000 0.620 502 A CB -0.621 18.312 19.000 -0.111 0.000 0.822 502 A HN 0.704 nan 8.150 nan 0.000 0.443 503 M N -1.769 117.764 119.600 -0.112 0.000 2.143 503 M HA -0.201 4.279 4.480 -0.001 0.000 0.258 503 M C 0.786 176.844 176.300 -0.404 0.000 1.071 503 M CA 2.001 57.112 55.300 -0.315 0.000 1.088 503 M CB -0.183 32.109 32.600 -0.513 0.000 1.360 503 M HN 0.344 nan 8.290 nan 0.000 0.404 504 F N 0.618 120.593 119.950 0.042 0.000 2.653 504 F HA 0.267 4.793 4.527 -0.001 0.000 0.304 504 F C 0.221 176.047 175.800 0.043 0.000 1.092 504 F CA -0.070 57.963 58.000 0.054 0.000 1.279 504 F CB 0.082 39.128 39.000 0.077 0.000 1.044 504 F HN 0.211 nan 8.300 nan 0.000 0.564 505 E N 1.119 121.396 120.200 0.129 0.000 2.298 505 E HA -0.175 4.175 4.350 -0.001 0.000 0.235 505 E C -0.940 175.715 176.600 0.091 0.000 1.167 505 E CA 0.078 56.528 56.400 0.083 0.000 0.708 505 E CB -1.688 28.057 29.700 0.075 0.000 1.236 505 E HN 0.312 nan 8.360 nan 0.000 0.386 506 L N 0.497 121.777 121.223 0.094 0.000 2.386 506 L HA 0.464 4.803 4.340 -0.001 0.000 0.271 506 L C 0.469 177.375 176.870 0.060 0.000 0.993 506 L CA -1.101 53.790 54.840 0.085 0.000 0.819 506 L CB 1.740 43.869 42.059 0.117 0.000 1.294 506 L HN -0.051 nan 8.230 nan 0.000 0.414 507 K N 1.551 121.967 120.400 0.027 0.000 2.414 507 K HA 0.217 4.536 4.320 -0.001 0.000 0.272 507 K C -1.230 175.362 176.600 -0.014 0.000 0.993 507 K CA 0.251 56.522 56.287 -0.027 0.000 0.964 507 K CB 0.542 33.017 32.500 -0.042 0.000 0.925 507 K HN 0.361 nan 8.250 nan 0.000 0.487 508 Y N 2.055 122.168 120.300 -0.311 0.000 2.492 508 Y HA 0.316 4.865 4.550 -0.001 0.000 0.346 508 Y C -1.137 174.421 175.900 -0.570 0.000 0.997 508 Y CA -0.735 57.194 58.100 -0.284 0.000 1.025 508 Y CB 1.447 39.811 38.460 -0.160 0.000 1.263 508 Y HN 0.598 nan 8.280 nan 0.000 0.454 509 H N 4.633 123.174 119.070 -0.883 0.000 2.851 509 H HA 0.459 5.014 4.556 -0.001 0.000 0.372 509 H C -1.131 173.635 175.328 -0.937 0.000 1.158 509 H CA -1.046 54.571 56.048 -0.718 0.000 1.159 509 H CB 2.571 32.090 29.762 -0.405 0.000 1.757 509 H HN 0.651 nan 8.280 nan 0.000 0.546 510 R N 2.967 123.226 120.500 -0.401 0.000 2.564 510 R HA 0.238 4.577 4.340 -0.001 0.000 0.282 510 R C -2.711 173.539 176.300 -0.083 0.000 1.573 510 R CA -1.567 54.411 56.100 -0.204 0.000 1.588 510 R CB 0.495 30.765 30.300 -0.049 0.000 1.154 510 R HN 0.370 nan 8.270 nan 0.000 0.606 511 P HA 0.021 nan 4.420 nan 0.000 0.268 511 P C -0.459 176.799 177.300 -0.070 0.000 1.205 511 P CA 0.037 63.097 63.100 -0.067 0.000 0.771 511 P CB 1.178 32.860 31.700 -0.030 0.000 0.858 512 Q N 1.129 120.776 119.800 -0.256 0.000 2.247 512 Q HA 0.093 4.432 4.340 -0.001 0.000 0.211 512 Q C -0.075 175.274 176.000 -1.085 0.000 0.861 512 Q CA -0.013 55.543 55.803 -0.411 0.000 0.949 512 Q CB 0.162 28.764 28.738 -0.227 0.000 1.115 512 Q HN 0.651 nan 8.270 nan 0.000 0.507 513 N N -3.703 114.241 118.700 -1.259 0.000 2.961 513 N HA 0.076 4.815 4.740 -0.001 0.000 0.245 513 N C -0.757 174.336 175.510 -0.695 0.000 1.404 513 N CA -0.851 51.350 53.050 -1.415 0.000 0.880 513 N CB -0.309 37.813 38.487 -0.609 0.000 1.461 513 N HN -0.097 nan 8.380 nan 0.000 0.510 514 W N -0.226 121.016 121.300 -0.096 0.000 2.325 514 W HA -0.116 4.543 4.660 -0.002 0.000 0.299 514 W C 1.893 178.485 176.519 0.121 0.000 1.215 514 W CA 0.800 58.271 57.345 0.211 0.000 1.244 514 W CB -0.157 29.445 29.460 0.237 0.000 1.140 514 W HN 0.592 nan 8.180 nan 0.000 0.523 515 Q N 0.150 120.084 119.800 0.224 0.000 2.119 515 Q HA -0.199 4.141 4.340 -0.001 0.000 0.201 515 Q C 1.924 177.969 176.000 0.074 0.000 0.972 515 Q CA 1.545 57.431 55.803 0.139 0.000 0.847 515 Q CB -0.347 28.434 28.738 0.073 0.000 0.903 515 Q HN 0.441 nan 8.270 nan 0.000 0.433 516 E N 0.487 120.683 120.200 -0.006 0.000 2.072 516 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 516 E C 1.940 178.512 176.600 -0.047 0.000 0.985 516 E CA 0.596 56.962 56.400 -0.057 0.000 0.801 516 E CB -0.020 29.608 29.700 -0.120 0.000 0.750 516 E HN 0.152 nan 8.360 nan 0.000 0.452 517 L N 1.701 122.946 121.223 0.037 0.000 2.012 517 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 517 L C 1.967 178.929 176.870 0.154 0.000 1.073 517 L CA 1.877 56.760 54.840 0.071 0.000 0.748 517 L CB -0.219 41.974 42.059 0.224 0.000 0.891 517 L HN 0.083 nan 8.230 nan 0.000 0.431 518 E N -1.062 119.299 120.200 0.269 0.000 2.070 518 E HA -0.256 4.093 4.350 -0.001 0.000 0.197 518 E C 1.913 178.629 176.600 0.194 0.000 1.004 518 E CA 2.149 58.741 56.400 0.319 0.000 0.805 518 E CB -0.327 29.543 29.700 0.283 0.000 0.744 518 E HN 0.644 nan 8.360 nan 0.000 0.451 519 T N 1.111 115.707 114.554 0.070 0.000 2.652 519 T HA -0.210 4.139 4.350 -0.001 0.000 0.267 519 T C 2.082 176.702 174.700 -0.133 0.000 1.039 519 T CA 1.408 63.499 62.100 -0.016 0.000 1.153 519 T CB -0.456 68.376 68.868 -0.059 0.000 0.863 519 T HN 0.277 nan 8.240 nan 0.000 0.428 520 A N 1.150 123.784 122.820 -0.310 0.000 1.892 520 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 520 A C 2.052 179.357 177.584 -0.465 0.000 1.188 520 A CA 1.595 53.252 52.037 -0.633 0.000 0.631 520 A CB -1.179 17.357 19.000 -0.774 0.000 0.822 520 A HN 0.393 nan 8.150 nan 0.000 0.447 521 F N 0.074 119.862 119.950 -0.271 0.000 2.046 521 F HA -0.161 4.365 4.527 -0.001 0.000 0.297 521 F C 2.881 178.541 175.800 -0.234 0.000 1.123 521 F CA 1.202 59.018 58.000 -0.307 0.000 1.199 521 F CB -0.909 38.085 39.000 -0.009 0.000 0.972 521 F HN 0.269 nan 8.300 nan 0.000 0.474 522 A N -0.355 122.594 122.820 0.214 0.000 1.873 522 A HA -0.311 4.009 4.320 -0.001 0.000 0.218 522 A C 1.934 179.599 177.584 0.135 0.000 1.193 522 A CA 2.335 54.515 52.037 0.237 0.000 0.629 522 A CB -1.285 17.821 19.000 0.177 0.000 0.826 522 A HN 0.421 nan 8.150 nan 0.000 0.447 523 D N -0.602 119.809 120.400 0.019 0.000 2.087 523 D HA -0.059 4.580 4.640 -0.001 0.000 0.192 523 D C 2.123 178.413 176.300 -0.016 0.000 0.993 523 D CA 1.969 55.972 54.000 0.005 0.000 0.828 523 D CB -0.301 40.482 40.800 -0.030 0.000 0.968 523 D HN 0.360 nan 8.370 nan 0.000 0.448 524 A N -0.034 122.691 122.820 -0.160 0.000 1.971 524 A HA -0.208 4.111 4.320 -0.001 0.000 0.222 524 A C 2.036 179.540 177.584 -0.132 0.000 1.182 524 A CA 1.788 53.675 52.037 -0.249 0.000 0.649 524 A CB -1.555 17.117 19.000 -0.547 0.000 0.818 524 A HN 0.602 nan 8.150 nan 0.000 0.458 525 W N 0.074 121.447 121.300 0.120 0.000 2.961 525 W HA 0.038 4.697 4.660 -0.001 0.000 0.240 525 W C 1.991 178.562 176.519 0.086 0.000 1.305 525 W CA 0.425 57.841 57.345 0.118 0.000 1.465 525 W CB 0.094 29.634 29.460 0.134 0.000 1.135 525 W HN 0.465 nan 8.180 nan 0.000 0.688 526 R N 0.771 121.410 120.500 0.230 0.000 2.426 526 R HA 0.184 4.524 4.340 -0.001 0.000 0.263 526 R C -0.270 176.105 176.300 0.124 0.000 0.961 526 R CA 0.435 56.634 56.100 0.165 0.000 1.086 526 R CB -0.536 29.840 30.300 0.127 0.000 1.186 526 R HN -0.057 nan 8.270 nan 0.000 0.537 527 T N -2.038 112.592 114.554 0.127 0.000 2.942 527 T HA 0.312 4.661 4.350 -0.001 0.000 0.327 527 T C -3.051 171.712 174.700 0.105 0.000 1.360 527 T CA -1.769 60.389 62.100 0.097 0.000 1.055 527 T CB 2.257 71.169 68.868 0.072 0.000 1.261 527 T HN -0.140 nan 8.240 nan 0.000 0.485 528 P HA 0.219 nan 4.420 nan 0.000 0.226 528 P C -0.084 177.262 177.300 0.076 0.000 1.783 528 P CA 0.094 63.248 63.100 0.090 0.000 0.980 528 P CB -0.983 30.763 31.700 0.076 0.000 1.967 529 T N -2.925 111.674 114.554 0.074 0.000 2.883 529 T HA 0.462 4.811 4.350 -0.001 0.000 0.296 529 T C -0.304 174.423 174.700 0.044 0.000 1.117 529 T CA -0.617 61.516 62.100 0.056 0.000 1.006 529 T CB 1.118 70.014 68.868 0.047 0.000 1.191 529 T HN -0.131 nan 8.240 nan 0.000 0.508 530 T N 2.422 116.996 114.554 0.032 0.000 2.806 530 T HA 0.567 4.916 4.350 -0.001 0.000 0.290 530 T C -0.265 174.433 174.700 -0.004 0.000 0.966 530 T CA -0.290 61.817 62.100 0.013 0.000 1.060 530 T CB 0.825 69.700 68.868 0.012 0.000 0.927 530 T HN 0.763 nan 8.240 nan 0.000 0.485 531 T N 2.817 117.342 114.554 -0.049 0.000 2.829 531 T HA 0.477 4.826 4.350 -0.001 0.000 0.280 531 T C -0.148 174.506 174.700 -0.077 0.000 0.999 531 T CA -0.574 61.486 62.100 -0.066 0.000 0.983 531 T CB 1.305 70.094 68.868 -0.131 0.000 0.968 531 T HN 0.305 nan 8.240 nan 0.000 0.446 532 V N 4.652 124.554 119.914 -0.019 0.000 2.407 532 V HA 0.450 4.570 4.120 -0.001 0.000 0.278 532 V C -0.091 175.929 176.094 -0.125 0.000 1.037 532 V CA -0.626 61.674 62.300 -0.001 0.000 0.900 532 V CB 0.895 32.830 31.823 0.186 0.000 0.983 532 V HN 0.770 nan 8.190 nan 0.000 0.459 533 I N 4.445 124.902 120.570 -0.188 0.000 2.382 533 I HA 0.393 4.562 4.170 -0.001 0.000 0.285 533 I C 0.070 176.079 176.117 -0.180 0.000 1.007 533 I CA -0.300 60.837 61.300 -0.272 0.000 1.142 533 I CB 1.640 39.404 38.000 -0.393 0.000 1.289 533 I HN 0.660 nan 8.210 nan 0.000 0.453 534 E N 7.623 127.727 120.200 -0.160 0.000 2.115 534 E HA 0.305 4.654 4.350 -0.001 0.000 0.282 534 E C -0.767 175.829 176.600 -0.008 0.000 0.987 534 E CA -0.690 55.710 56.400 0.001 0.000 0.797 534 E CB 1.036 30.893 29.700 0.261 0.000 1.086 534 E HN 0.482 nan 8.360 nan 0.000 0.397 535 M N 5.164 124.746 119.600 -0.031 0.000 2.151 535 M HA 0.177 4.656 4.480 -0.001 0.000 0.349 535 M C -0.981 175.324 176.300 0.008 0.000 1.284 535 M CA -0.526 54.736 55.300 -0.063 0.000 1.173 535 M CB 1.050 33.542 32.600 -0.181 0.000 1.469 535 M HN 0.344 nan 8.290 nan 0.000 0.439 536 V N 5.717 125.682 119.914 0.085 0.000 2.461 536 V HA 0.435 4.554 4.120 -0.001 0.000 0.275 536 V C 0.165 176.298 176.094 0.065 0.000 1.047 536 V CA -0.496 61.878 62.300 0.123 0.000 0.955 536 V CB 1.213 33.160 31.823 0.206 0.000 0.988 536 V HN 0.674 nan 8.190 nan 0.000 0.471 537 V N 2.247 122.184 119.914 0.038 0.000 3.130 537 V HA 0.661 4.780 4.120 -0.001 0.000 0.310 537 V C -0.254 175.861 176.094 0.036 0.000 1.158 537 V CA -1.285 61.024 62.300 0.014 0.000 1.029 537 V CB 2.244 34.036 31.823 -0.052 0.000 1.057 537 V HN 0.652 nan 8.190 nan 0.000 0.436 538 N N 2.636 121.358 118.700 0.038 0.000 2.458 538 N HA 0.021 4.760 4.740 -0.001 0.000 0.258 538 N C 0.755 176.283 175.510 0.031 0.000 1.219 538 N CA 0.779 53.853 53.050 0.039 0.000 0.902 538 N CB 1.104 39.615 38.487 0.040 0.000 1.076 538 N HN 1.026 nan 8.380 nan 0.000 0.455 539 D N 1.097 121.517 120.400 0.033 0.000 2.160 539 D HA -0.231 4.409 4.640 -0.001 0.000 0.189 539 D C 1.250 177.565 176.300 0.025 0.000 1.003 539 D CA 2.441 56.459 54.000 0.031 0.000 0.846 539 D CB -0.794 40.027 40.800 0.035 0.000 0.949 539 D HN 0.614 nan 8.370 nan 0.000 0.446 540 T N -4.232 110.337 114.554 0.025 0.000 3.069 540 T HA 0.137 4.486 4.350 -0.001 0.000 0.252 540 T C 0.997 175.707 174.700 0.017 0.000 1.053 540 T CA -0.028 62.084 62.100 0.020 0.000 0.964 540 T CB 0.232 69.113 68.868 0.023 0.000 1.005 540 T HN -0.157 nan 8.240 nan 0.000 0.532 541 D N 2.316 122.728 120.400 0.020 0.000 2.123 541 D HA -0.006 4.633 4.640 -0.001 0.000 0.196 541 D C 2.304 178.614 176.300 0.017 0.000 0.992 541 D CA 1.589 55.602 54.000 0.022 0.000 0.833 541 D CB -0.784 40.033 40.800 0.029 0.000 0.954 541 D HN 0.552 nan 8.370 nan 0.000 0.455 542 G N 0.733 109.539 108.800 0.010 0.000 2.480 542 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 542 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 542 G C 1.735 176.634 174.900 -0.001 0.000 1.200 542 G CA 1.573 46.676 45.100 0.006 0.000 0.782 542 G HN 0.403 nan 8.290 nan 0.000 0.554 543 A N 0.149 122.965 122.820 -0.007 0.000 1.883 543 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 543 A C 2.320 179.901 177.584 -0.005 0.000 1.186 543 A CA 2.298 54.328 52.037 -0.012 0.000 0.624 543 A CB -0.645 18.346 19.000 -0.014 0.000 0.822 543 A HN 0.462 nan 8.150 nan 0.000 0.444 544 Q N -1.072 118.730 119.800 0.002 0.000 2.002 544 Q HA -0.166 4.173 4.340 -0.001 0.000 0.204 544 Q C 2.247 178.250 176.000 0.005 0.000 0.988 544 Q CA 2.602 58.409 55.803 0.006 0.000 0.843 544 Q CB -0.411 28.335 28.738 0.013 0.000 0.908 544 Q HN 0.655 nan 8.270 nan 0.000 0.420 545 T N 1.096 115.654 114.554 0.007 0.000 2.635 545 T HA -0.207 4.143 4.350 -0.001 0.000 0.267 545 T C 1.648 176.345 174.700 -0.004 0.000 1.040 545 T CA 1.445 63.548 62.100 0.005 0.000 1.156 545 T CB -0.456 68.419 68.868 0.012 0.000 0.863 545 T HN 0.223 nan 8.240 nan 0.000 0.430 546 L N 1.229 122.447 121.223 -0.007 0.000 2.012 546 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 546 L C 2.487 179.345 176.870 -0.019 0.000 1.073 546 L CA 1.783 56.614 54.840 -0.015 0.000 0.748 546 L CB -0.829 41.219 42.059 -0.018 0.000 0.891 546 L HN 0.305 nan 8.230 nan 0.000 0.431 547 Q N -1.021 118.770 119.800 -0.016 0.000 2.135 547 Q HA -0.280 4.059 4.340 -0.001 0.000 0.204 547 Q C 2.214 178.203 176.000 -0.019 0.000 0.981 547 Q CA 2.109 57.901 55.803 -0.018 0.000 0.856 547 Q CB -0.267 28.464 28.738 -0.011 0.000 0.902 547 Q HN 0.674 nan 8.270 nan 0.000 0.425 548 Q N 0.160 119.954 119.800 -0.011 0.000 2.172 548 Q HA -0.045 4.294 4.340 -0.001 0.000 0.200 548 Q C 2.082 178.074 176.000 -0.013 0.000 0.964 548 Q CA 0.732 56.532 55.803 -0.006 0.000 0.855 548 Q CB 0.097 28.838 28.738 0.004 0.000 0.918 548 Q HN 0.366 nan 8.270 nan 0.000 0.444 549 L N 0.136 121.349 121.223 -0.018 0.000 2.093 549 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 549 L C 2.169 179.020 176.870 -0.031 0.000 1.085 549 L CA 0.790 55.617 54.840 -0.022 0.000 0.755 549 L CB -0.345 41.699 42.059 -0.024 0.000 0.904 549 L HN 0.254 nan 8.230 nan 0.000 0.435 550 L N -0.298 120.900 121.223 -0.040 0.000 1.989 550 L HA -0.238 4.101 4.340 -0.001 0.000 0.211 550 L C 2.928 179.743 176.870 -0.091 0.000 1.071 550 L CA 1.401 56.207 54.840 -0.057 0.000 0.749 550 L CB -0.787 41.239 42.059 -0.054 0.000 0.890 550 L HN 0.252 nan 8.230 nan 0.000 0.431 551 A N -0.601 122.158 122.820 -0.102 0.000 1.865 551 A HA -0.316 4.004 4.320 -0.001 0.000 0.217 551 A C 2.251 179.702 177.584 -0.222 0.000 1.191 551 A CA 2.087 54.009 52.037 -0.190 0.000 0.623 551 A CB -0.772 18.171 19.000 -0.095 0.000 0.826 551 A HN 0.506 nan 8.150 nan 0.000 0.444 552 Q N -0.352 119.408 119.800 -0.067 0.000 2.014 552 Q HA -0.181 4.158 4.340 -0.001 0.000 0.207 552 Q C 2.044 178.040 176.000 -0.006 0.000 0.993 552 Q CA 2.572 58.377 55.803 0.003 0.000 0.850 552 Q CB -0.322 28.425 28.738 0.015 0.000 0.916 552 Q HN 0.396 nan 8.270 nan 0.000 0.417 553 V N 1.101 121.004 119.914 -0.018 0.000 2.332 553 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 553 V C 2.527 178.616 176.094 -0.008 0.000 1.055 553 V CA 1.971 64.275 62.300 0.007 0.000 1.038 553 V CB -0.984 30.855 31.823 0.026 0.000 0.651 553 V HN 0.605 nan 8.190 nan 0.000 0.450 554 S N -0.704 114.944 115.700 -0.087 0.000 2.440 554 S HA -0.273 4.196 4.470 -0.001 0.000 0.238 554 S C 1.732 176.279 174.600 -0.089 0.000 1.010 554 S CA 1.995 60.120 58.200 -0.124 0.000 0.972 554 S CB -0.624 62.438 63.200 -0.231 0.000 0.774 554 S HN 0.811 nan 8.310 nan 0.000 0.501 555 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