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 3hwx_1_S DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTLLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF AEPLYGEMDD 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 0.000 176.299 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 S N 1.503 117.214 115.700 0.018 0.000 2.670 2 S HA 0.157 4.627 4.470 -0.001 0.000 0.308 2 S C 1.224 175.848 174.600 0.039 0.000 1.232 2 S CA -0.026 58.190 58.200 0.027 0.000 1.126 2 S CB 0.307 63.528 63.200 0.036 0.000 0.897 2 S HN 0.617 nan 8.310 nan 0.000 0.508 3 V N 5.429 125.356 119.914 0.022 0.000 2.515 3 V HA -0.138 3.981 4.120 -0.001 0.000 0.250 3 V C 2.611 178.746 176.094 0.067 0.000 1.058 3 V CA 2.187 64.506 62.300 0.032 0.000 1.064 3 V CB -0.882 30.936 31.823 -0.008 0.000 0.675 3 V HN 1.063 nan 8.190 nan 0.000 0.461 4 S N 0.843 116.565 115.700 0.037 0.000 2.399 4 S HA -0.173 4.297 4.470 -0.001 0.000 0.231 4 S C 2.054 176.674 174.600 0.033 0.000 1.022 4 S CA 1.468 59.677 58.200 0.015 0.000 0.983 4 S CB -0.431 62.770 63.200 0.001 0.000 0.803 4 S HN 0.576 nan 8.310 nan 0.000 0.480 5 A N 0.672 123.530 122.820 0.063 0.000 1.929 5 A HA 0.157 4.477 4.320 -0.001 0.000 0.216 5 A C 1.949 179.592 177.584 0.099 0.000 1.176 5 A CA 1.176 53.256 52.037 0.072 0.000 0.628 5 A CB -0.986 18.061 19.000 0.077 0.000 0.816 5 A HN 0.605 nan 8.150 nan 0.000 0.444 6 F N 1.357 121.302 119.950 -0.007 0.000 2.146 6 F HA -0.132 4.394 4.527 -0.000 0.000 0.298 6 F C 1.981 177.811 175.800 0.049 0.000 1.096 6 F CA 1.709 59.692 58.000 -0.028 0.000 1.275 6 F CB -0.240 38.680 39.000 -0.134 0.000 1.008 6 F HN 0.185 nan 8.300 nan 0.000 0.480 7 N N 0.790 119.550 118.700 0.099 0.000 2.061 7 N HA -0.188 4.551 4.740 -0.001 0.000 0.193 7 N C 1.934 177.479 175.510 0.059 0.000 1.030 7 N CA 1.521 54.634 53.050 0.105 0.000 0.856 7 N CB -0.467 38.064 38.487 0.072 0.000 1.023 7 N HN 0.320 nan 8.380 nan 0.000 0.424 8 R N 0.453 120.952 120.500 -0.003 0.000 2.127 8 R HA -0.015 4.324 4.340 -0.001 0.000 0.238 8 R C 1.956 178.293 176.300 0.062 0.000 1.134 8 R CA 0.976 57.079 56.100 0.006 0.000 0.975 8 R CB -0.042 30.262 30.300 0.006 0.000 0.865 8 R HN 0.330 nan 8.270 nan 0.000 0.447 9 R N -0.549 119.967 120.500 0.026 0.000 2.090 9 R HA -0.064 4.276 4.340 -0.001 0.000 0.219 9 R C 2.031 178.438 176.300 0.178 0.000 1.100 9 R CA 0.423 56.579 56.100 0.093 0.000 0.991 9 R CB -0.484 29.855 30.300 0.065 0.000 0.893 9 R HN 0.398 nan 8.270 nan 0.000 0.443 10 W N 2.401 123.540 121.300 -0.269 0.000 2.304 10 W HA -0.286 4.374 4.660 -0.000 0.000 0.315 10 W C 1.848 178.475 176.519 0.180 0.000 1.233 10 W CA 2.346 59.634 57.345 -0.094 0.000 1.261 10 W CB -0.212 29.105 29.460 -0.238 0.000 1.150 10 W HN 0.103 nan 8.180 nan 0.000 0.494 11 A N 0.691 123.771 122.820 0.433 0.000 1.902 11 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 11 A C 2.191 179.908 177.584 0.221 0.000 1.181 11 A CA 2.797 55.032 52.037 0.330 0.000 0.623 11 A CB -1.337 17.807 19.000 0.240 0.000 0.818 11 A HN 0.342 nan 8.150 nan 0.000 0.443 12 A N -0.472 122.486 122.820 0.231 0.000 1.902 12 A HA -0.019 4.300 4.320 -0.001 0.000 0.217 12 A C 2.226 179.993 177.584 0.304 0.000 1.181 12 A CA 1.818 54.026 52.037 0.284 0.000 0.623 12 A CB -0.983 18.210 19.000 0.321 0.000 0.818 12 A HN 0.408 nan 8.150 nan 0.000 0.443 13 V N 0.306 120.370 119.914 0.249 0.000 2.287 13 V HA -0.321 3.799 4.120 -0.001 0.000 0.248 13 V C 2.432 178.523 176.094 -0.006 0.000 1.053 13 V CA 2.257 64.588 62.300 0.050 0.000 1.027 13 V CB -0.799 30.944 31.823 -0.134 0.000 0.646 13 V HN 0.595 nan 8.190 nan 0.000 0.447 14 I N -0.637 119.927 120.570 -0.010 0.000 2.163 14 I HA -0.277 3.892 4.170 -0.001 0.000 0.243 14 I C 2.340 178.526 176.117 0.116 0.000 1.085 14 I CA 1.693 63.001 61.300 0.014 0.000 1.347 14 I CB -0.398 37.631 38.000 0.048 0.000 1.044 14 I HN 0.227 nan 8.210 nan 0.000 0.408 15 L N 0.179 121.513 121.223 0.185 0.000 2.093 15 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 15 L C 2.574 179.608 176.870 0.273 0.000 1.085 15 L CA 1.280 56.289 54.840 0.283 0.000 0.755 15 L CB -0.386 41.881 42.059 0.347 0.000 0.904 15 L HN 0.198 nan 8.230 nan 0.000 0.435 16 E N 0.208 120.515 120.200 0.179 0.000 2.046 16 E HA -0.174 4.176 4.350 -0.001 0.000 0.190 16 E C 2.175 178.818 176.600 0.071 0.000 0.982 16 E CA 1.344 57.782 56.400 0.062 0.000 0.800 16 E CB -0.207 29.512 29.700 0.030 0.000 0.756 16 E HN 0.323 nan 8.360 nan 0.000 0.449 17 A N 1.021 123.970 122.820 0.215 0.000 1.915 17 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 17 A C 2.338 180.086 177.584 0.272 0.000 1.198 17 A CA 2.056 54.275 52.037 0.304 0.000 0.647 17 A CB -1.129 17.964 19.000 0.155 0.000 0.825 17 A HN 0.385 nan 8.150 nan 0.000 0.456 18 L N -1.096 120.259 121.223 0.220 0.000 2.191 18 L HA -0.156 4.184 4.340 -0.001 0.000 0.212 18 L C 2.644 179.654 176.870 0.234 0.000 1.103 18 L CA 1.509 56.495 54.840 0.243 0.000 0.769 18 L CB -1.059 41.141 42.059 0.234 0.000 0.908 18 L HN 0.349 nan 8.230 nan 0.000 0.438 19 T N -0.384 114.236 114.554 0.109 0.000 2.760 19 T HA -0.228 4.122 4.350 -0.001 0.000 0.269 19 T C 1.812 176.486 174.700 -0.042 0.000 1.047 19 T CA 1.448 63.508 62.100 -0.066 0.000 1.139 19 T CB -0.177 68.555 68.868 -0.226 0.000 0.855 19 T HN 0.219 nan 8.240 nan 0.000 0.471 20 R N 0.160 120.662 120.500 0.003 0.000 2.310 20 R HA 0.149 4.488 4.340 -0.001 0.000 0.202 20 R C 0.961 177.091 176.300 -0.283 0.000 0.933 20 R CA 0.456 56.467 56.100 -0.149 0.000 1.054 20 R CB 0.117 30.310 30.300 -0.178 0.000 0.985 20 R HN 0.511 nan 8.270 nan 0.000 0.489 21 H N -1.782 117.294 119.070 0.010 0.000 2.649 21 H HA 0.262 4.818 4.556 -0.000 0.000 0.258 21 H C 0.613 175.950 175.328 0.015 0.000 1.165 21 H CA 0.367 56.425 56.048 0.016 0.000 1.006 21 H CB 1.316 31.095 29.762 0.028 0.000 1.743 21 H HN 0.323 nan 8.280 nan 0.000 0.609 22 G N 1.325 110.171 108.800 0.078 0.000 2.143 22 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.249 22 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.249 22 G C 0.352 175.302 174.900 0.084 0.000 0.981 22 G CA 0.242 45.376 45.100 0.055 0.000 0.665 22 G HN 0.218 nan 8.290 nan 0.000 0.528 23 V N 0.779 120.770 119.914 0.128 0.000 2.390 23 V HA 0.311 4.431 4.120 -0.001 0.000 0.260 23 V C 1.593 177.808 176.094 0.203 0.000 1.043 23 V CA 0.957 63.362 62.300 0.175 0.000 1.047 23 V CB 0.799 32.768 31.823 0.244 0.000 1.066 23 V HN 0.412 nan 8.190 nan 0.000 0.481 24 R N 1.930 122.502 120.500 0.121 0.000 2.084 24 R HA 0.220 4.559 4.340 -0.001 0.000 0.209 24 R C 0.846 177.124 176.300 -0.038 0.000 1.173 24 R CA 0.487 56.597 56.100 0.016 0.000 1.053 24 R CB 0.095 30.302 30.300 -0.155 0.000 0.948 24 R HN 0.717 nan 8.270 nan 0.000 0.460 25 H N 0.595 119.727 119.070 0.105 0.000 2.929 25 H HA 0.144 4.700 4.556 -0.001 0.000 0.317 25 H C -0.327 174.983 175.328 -0.030 0.000 1.031 25 H CA 0.427 56.528 56.048 0.089 0.000 1.466 25 H CB 0.631 30.469 29.762 0.127 0.000 1.482 25 H HN 0.152 nan 8.280 nan 0.000 0.561 26 I N 3.320 123.874 120.570 -0.027 0.000 2.465 26 I HA 0.171 4.341 4.170 -0.001 0.000 0.291 26 I C -0.725 175.423 176.117 0.053 0.000 1.014 26 I CA -0.501 60.709 61.300 -0.149 0.000 1.093 26 I CB 1.050 38.698 38.000 -0.587 0.000 1.267 26 I HN 0.515 nan 8.210 nan 0.000 0.431 27 C N 7.792 127.127 119.300 0.058 0.000 2.322 27 C HA 0.611 5.071 4.460 -0.001 0.000 0.324 27 C C -0.103 174.932 174.990 0.074 0.000 1.284 27 C CA -0.520 58.563 59.018 0.107 0.000 1.606 27 C CB 0.357 28.129 27.740 0.053 0.000 2.251 27 C HN 0.499 nan 8.230 nan 0.000 0.502 28 I N 3.369 124.000 120.570 0.100 0.000 2.466 28 I HA 0.566 4.736 4.170 -0.001 0.000 0.289 28 I C 0.173 176.344 176.117 0.090 0.000 1.026 28 I CA -0.118 61.233 61.300 0.086 0.000 1.078 28 I CB 1.584 39.636 38.000 0.087 0.000 1.249 28 I HN 0.701 nan 8.210 nan 0.000 0.429 29 A N 8.146 131.013 122.820 0.078 0.000 2.324 29 A HA 0.845 5.164 4.320 -0.001 0.000 0.330 29 A C -2.569 175.063 177.584 0.080 0.000 1.165 29 A CA -1.587 50.496 52.037 0.076 0.000 0.813 29 A CB 0.671 19.708 19.000 0.062 0.000 1.197 29 A HN 0.412 nan 8.150 nan 0.000 0.484 30 P HA 0.462 nan 4.420 nan 0.000 0.271 30 P C 0.105 177.453 177.300 0.080 0.000 1.216 30 P CA 0.333 63.483 63.100 0.084 0.000 0.771 30 P CB 1.362 33.116 31.700 0.091 0.000 0.864 31 G N -0.177 108.670 108.800 0.079 0.000 2.608 31 G HA2 0.354 4.313 3.960 -0.001 0.000 0.291 31 G HA3 0.354 4.313 3.960 -0.001 0.000 0.291 31 G C -0.078 174.877 174.900 0.093 0.000 1.425 31 G CA -0.157 44.991 45.100 0.081 0.000 0.787 31 G HN 0.373 nan 8.290 nan 0.000 0.484 32 S N -1.395 114.364 115.700 0.099 0.000 2.599 32 S HA 0.039 4.509 4.470 -0.001 0.000 0.236 32 S C 2.030 176.658 174.600 0.046 0.000 1.077 32 S CA 0.594 58.878 58.200 0.140 0.000 0.906 32 S CB -0.016 63.289 63.200 0.175 0.000 0.804 32 S HN 0.452 nan 8.310 nan 0.000 0.497 33 R N 2.003 122.530 120.500 0.045 0.000 2.316 33 R HA 0.170 4.510 4.340 -0.001 0.000 0.202 33 R C 1.564 177.861 176.300 -0.006 0.000 1.029 33 R CA 1.378 57.495 56.100 0.028 0.000 1.018 33 R CB -0.379 29.974 30.300 0.088 0.000 0.888 33 R HN 0.417 nan 8.270 nan 0.000 0.471 34 S N -2.565 113.134 115.700 -0.003 0.000 2.582 34 S HA 0.082 4.551 4.470 -0.001 0.000 0.234 34 S C 1.192 175.746 174.600 -0.077 0.000 0.961 34 S CA -0.071 58.123 58.200 -0.010 0.000 0.953 34 S CB 0.267 63.502 63.200 0.058 0.000 0.800 34 S HN 0.144 nan 8.310 nan 0.000 0.471 35 T N 3.397 117.863 114.554 -0.147 0.000 2.708 35 T HA -0.002 4.348 4.350 -0.001 0.000 0.266 35 T C 1.677 176.258 174.700 -0.198 0.000 1.037 35 T CA 1.363 63.377 62.100 -0.144 0.000 1.146 35 T CB -0.332 68.371 68.868 -0.275 0.000 0.865 35 T HN 0.280 nan 8.240 nan 0.000 0.435 36 L N 0.890 121.877 121.223 -0.394 0.000 1.971 36 L HA -0.086 4.253 4.340 -0.001 0.000 0.215 36 L C 2.510 179.274 176.870 -0.178 0.000 1.072 36 L CA 1.832 56.434 54.840 -0.398 0.000 0.758 36 L CB -1.799 39.705 42.059 -0.924 0.000 0.889 36 L HN 0.334 nan 8.230 nan 0.000 0.433 37 L N -1.065 120.064 121.223 -0.156 0.000 2.017 37 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 37 L C 2.582 179.481 176.870 0.049 0.000 1.073 37 L CA 1.511 56.370 54.840 0.031 0.000 0.745 37 L CB -1.018 41.103 42.059 0.103 0.000 0.894 37 L HN 0.273 nan 8.230 nan 0.000 0.432 38 T N 0.238 114.804 114.554 0.020 0.000 2.674 38 T HA -0.170 4.179 4.350 -0.001 0.000 0.265 38 T C 1.997 176.730 174.700 0.055 0.000 1.039 38 T CA 1.147 63.274 62.100 0.044 0.000 1.150 38 T CB -0.270 68.620 68.868 0.037 0.000 0.864 38 T HN 0.148 nan 8.240 nan 0.000 0.427 39 L N 0.639 121.882 121.223 0.033 0.000 1.978 39 L HA -0.274 4.065 4.340 -0.001 0.000 0.218 39 L C 3.002 179.922 176.870 0.083 0.000 1.075 39 L CA 1.989 56.855 54.840 0.043 0.000 0.767 39 L CB -0.884 41.188 42.059 0.023 0.000 0.890 39 L HN 0.308 nan 8.230 nan 0.000 0.434 40 A N -0.522 122.356 122.820 0.095 0.000 1.917 40 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 40 A C 2.440 180.161 177.584 0.228 0.000 1.182 40 A CA 2.211 54.339 52.037 0.151 0.000 0.633 40 A CB -0.812 18.286 19.000 0.164 0.000 0.819 40 A HN 0.555 nan 8.150 nan 0.000 0.448 41 A N -0.234 122.737 122.820 0.251 0.000 1.858 41 A HA 0.121 4.440 4.320 -0.001 0.000 0.216 41 A C 2.565 180.449 177.584 0.499 0.000 1.190 41 A CA 2.442 54.712 52.037 0.388 0.000 0.617 41 A CB -1.231 17.889 19.000 0.200 0.000 0.827 41 A HN 1.225 nan 8.150 nan 0.000 0.443 42 A N -0.570 122.379 122.820 0.215 0.000 1.978 42 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 42 A C 1.844 179.459 177.584 0.051 0.000 1.170 42 A CA 1.769 53.778 52.037 -0.046 0.000 0.636 42 A CB -0.498 18.452 19.000 -0.084 0.000 0.810 42 A HN 0.646 nan 8.150 nan 0.000 0.448 43 E N -0.469 119.804 120.200 0.122 0.000 2.502 43 E HA -0.029 4.321 4.350 -0.001 0.000 0.194 43 E C 0.016 176.701 176.600 0.142 0.000 1.062 43 E CA -0.269 56.196 56.400 0.108 0.000 0.867 43 E CB 0.060 29.812 29.700 0.086 0.000 0.888 43 E HN 0.465 nan 8.360 nan 0.000 0.510 44 N N 0.095 118.936 118.700 0.234 0.000 2.424 44 N HA 0.026 4.766 4.740 -0.001 0.000 0.271 44 N C 0.040 175.600 175.510 0.084 0.000 0.985 44 N CA -0.125 53.002 53.050 0.128 0.000 0.921 44 N CB 1.496 40.042 38.487 0.098 0.000 1.149 44 N HN -0.132 nan 8.380 nan 0.000 0.492 45 S N 1.696 117.386 115.700 -0.016 0.000 2.605 45 S HA 0.149 4.618 4.470 -0.001 0.000 0.217 45 S C 1.384 175.918 174.600 -0.110 0.000 0.958 45 S CA 0.031 58.225 58.200 -0.009 0.000 0.919 45 S CB 0.214 63.413 63.200 -0.001 0.000 0.780 45 S HN 0.524 nan 8.310 nan 0.000 0.507 46 A N 0.622 123.280 122.820 -0.270 0.000 2.167 46 A HA 0.410 4.729 4.320 -0.001 0.000 0.214 46 A C 0.162 177.561 177.584 -0.308 0.000 1.151 46 A CA 0.242 52.076 52.037 -0.338 0.000 0.735 46 A CB -0.349 18.366 19.000 -0.475 0.000 0.802 46 A HN 0.464 nan 8.150 nan 0.000 0.467 47 F N -0.597 119.238 119.950 -0.191 0.000 2.422 47 F HA 0.564 5.091 4.527 -0.000 0.000 0.333 47 F C 0.057 175.565 175.800 -0.486 0.000 1.095 47 F CA -1.811 55.972 58.000 -0.362 0.000 1.038 47 F CB 1.137 39.827 39.000 -0.517 0.000 1.156 47 F HN -0.129 nan 8.300 nan 0.000 0.483 48 I N 3.316 123.750 120.570 -0.226 0.000 2.315 48 I HA 0.211 4.380 4.170 -0.001 0.000 0.291 48 I C -0.588 175.323 176.117 -0.343 0.000 1.006 48 I CA -0.350 60.782 61.300 -0.281 0.000 1.265 48 I CB 0.584 38.437 38.000 -0.246 0.000 1.387 48 I HN 0.476 nan 8.210 nan 0.000 0.475 49 H N 5.168 124.130 119.070 -0.181 0.000 2.562 49 H HA 0.428 4.983 4.556 -0.001 0.000 0.314 49 H C -0.658 174.458 175.328 -0.354 0.000 1.079 49 H CA -0.394 55.557 56.048 -0.162 0.000 1.349 49 H CB 0.558 30.285 29.762 -0.057 0.000 1.432 49 H HN 0.452 nan 8.280 nan 0.000 0.479 50 H N 1.708 120.861 119.070 0.138 0.000 2.495 50 H HA 0.326 4.881 4.556 -0.001 0.000 0.348 50 H C 0.008 175.383 175.328 0.077 0.000 1.113 50 H CA -0.704 55.395 56.048 0.085 0.000 1.195 50 H CB 1.880 31.665 29.762 0.038 0.000 1.521 50 H HN 0.729 nan 8.280 nan 0.000 0.509 51 T N -0.211 114.446 114.554 0.172 0.000 2.942 51 T HA 0.531 4.881 4.350 -0.001 0.000 0.289 51 T C -0.667 174.135 174.700 0.169 0.000 1.044 51 T CA -0.702 61.487 62.100 0.148 0.000 1.023 51 T CB 2.821 71.763 68.868 0.125 0.000 1.123 51 T HN 0.737 nan 8.240 nan 0.000 0.512 52 H N -0.000 119.075 119.070 0.009 0.000 3.005 52 H HA 0.342 4.898 4.556 -0.001 0.000 0.311 52 H C -0.518 174.776 175.328 -0.056 0.000 1.366 52 H CA -1.531 54.449 56.048 -0.113 0.000 1.210 52 H CB 0.575 30.206 29.762 -0.218 0.000 1.894 52 H HN 0.603 nan 8.280 nan 0.000 0.520 53 F N -0.640 119.149 119.950 -0.268 0.000 2.582 53 F HA 0.303 4.829 4.527 -0.001 0.000 0.290 53 F C 0.466 176.075 175.800 -0.318 0.000 1.115 53 F CA -0.171 57.697 58.000 -0.220 0.000 1.445 53 F CB 0.263 39.215 39.000 -0.079 0.000 1.126 53 F HN 0.312 nan 8.300 nan 0.000 0.574 54 D N 1.553 121.443 120.400 -0.850 0.000 2.317 54 D HA 0.101 4.741 4.640 -0.001 0.000 0.234 54 D C 0.686 176.852 176.300 -0.223 0.000 1.112 54 D CA 0.069 53.872 54.000 -0.327 0.000 0.840 54 D CB 1.445 42.100 40.800 -0.241 0.000 1.078 54 D HN 0.200 nan 8.370 nan 0.000 0.486 55 E N 2.508 122.682 120.200 -0.043 0.000 2.110 55 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 55 E C 1.836 178.471 176.600 0.057 0.000 0.988 55 E CA 0.890 57.301 56.400 0.017 0.000 0.804 55 E CB 0.141 29.875 29.700 0.056 0.000 0.745 55 E HN 0.459 nan 8.360 nan 0.000 0.458 56 R N 0.039 120.593 120.500 0.091 0.000 2.075 56 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 56 R C 2.270 178.713 176.300 0.239 0.000 1.126 56 R CA 1.507 57.705 56.100 0.164 0.000 0.963 56 R CB -0.490 29.919 30.300 0.181 0.000 0.858 56 R HN 0.271 nan 8.270 nan 0.000 0.435 57 G N 1.585 110.474 108.800 0.148 0.000 2.440 57 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.218 57 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.218 57 G C 1.354 176.360 174.900 0.177 0.000 1.154 57 G CA 0.785 45.985 45.100 0.167 0.000 0.767 57 G HN 0.323 nan 8.290 nan 0.000 0.552 58 L N 1.315 122.623 121.223 0.141 0.000 2.042 58 L HA 0.075 4.415 4.340 -0.001 0.000 0.210 58 L C 2.868 179.752 176.870 0.023 0.000 1.076 58 L CA 2.309 57.203 54.840 0.091 0.000 0.749 58 L CB -0.737 41.356 42.059 0.057 0.000 0.893 58 L HN 0.188 nan 8.230 nan 0.000 0.432 59 G N -2.289 106.514 108.800 0.004 0.000 2.432 59 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 59 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 59 G C 1.155 175.945 174.900 -0.185 0.000 1.135 59 G CA 0.984 46.021 45.100 -0.105 0.000 0.767 59 G HN 0.587 nan 8.290 nan 0.000 0.550 60 H N -0.957 118.077 119.070 -0.059 0.000 2.547 60 H HA 0.150 4.705 4.556 -0.001 0.000 0.272 60 H C 2.093 177.336 175.328 -0.141 0.000 0.989 60 H CA 0.519 56.514 56.048 -0.088 0.000 1.214 60 H CB 0.272 29.988 29.762 -0.077 0.000 1.389 60 H HN 0.324 nan 8.280 nan 0.000 0.577 61 L N 0.150 121.344 121.223 -0.048 0.000 2.131 61 L HA 0.135 4.474 4.340 -0.001 0.000 0.206 61 L C 2.211 178.956 176.870 -0.208 0.000 1.087 61 L CA 1.463 56.211 54.840 -0.154 0.000 0.767 61 L CB -0.685 41.285 42.059 -0.148 0.000 0.917 61 L HN 0.166 nan 8.230 nan 0.000 0.441 62 A N -0.436 122.292 122.820 -0.154 0.000 1.930 62 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 62 A C 2.235 179.730 177.584 -0.148 0.000 1.175 62 A CA 1.711 53.659 52.037 -0.149 0.000 0.627 62 A CB -0.940 18.002 19.000 -0.097 0.000 0.815 62 A HN 0.490 nan 8.150 nan 0.000 0.443 63 L N 0.067 121.206 121.223 -0.141 0.000 2.046 63 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 63 L C 2.407 179.208 176.870 -0.116 0.000 1.077 63 L CA 2.251 57.020 54.840 -0.117 0.000 0.747 63 L CB -0.894 41.087 42.059 -0.131 0.000 0.896 63 L HN 0.304 nan 8.230 nan 0.000 0.432 64 G N -0.209 108.496 108.800 -0.158 0.000 2.459 64 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.217 64 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.217 64 G C 1.615 176.359 174.900 -0.259 0.000 1.183 64 G CA 1.221 46.183 45.100 -0.231 0.000 0.776 64 G HN 0.422 nan 8.290 nan 0.000 0.552 65 L N 0.505 121.554 121.223 -0.290 0.000 2.042 65 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 65 L C 3.357 180.087 176.870 -0.233 0.000 1.076 65 L CA 1.282 55.912 54.840 -0.350 0.000 0.749 65 L CB -0.298 41.484 42.059 -0.461 0.000 0.893 65 L HN 0.353 nan 8.230 nan 0.000 0.432 66 A N -0.689 122.039 122.820 -0.153 0.000 2.021 66 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 66 A C 2.325 179.879 177.584 -0.051 0.000 1.163 66 A CA 1.111 53.100 52.037 -0.081 0.000 0.676 66 A CB -0.282 18.683 19.000 -0.057 0.000 0.818 66 A HN 0.284 nan 8.150 nan 0.000 0.453 67 K N -0.067 120.301 120.400 -0.054 0.000 2.074 67 K HA -0.138 4.182 4.320 -0.001 0.000 0.209 67 K C 1.585 178.214 176.600 0.049 0.000 1.048 67 K CA 1.981 58.283 56.287 0.024 0.000 0.926 67 K CB -0.155 32.375 32.500 0.051 0.000 0.713 67 K HN 0.272 nan 8.250 nan 0.000 0.444 68 V N 0.386 120.240 119.914 -0.100 0.000 2.599 68 V HA -0.114 4.005 4.120 -0.001 0.000 0.245 68 V C 2.157 178.241 176.094 -0.017 0.000 1.046 68 V CA 1.628 63.875 62.300 -0.088 0.000 1.065 68 V CB 0.344 31.973 31.823 -0.323 0.000 0.703 68 V HN 0.485 nan 8.190 nan 0.000 0.464 69 S N -0.842 114.831 115.700 -0.044 0.000 2.496 69 S HA -0.080 4.389 4.470 -0.001 0.000 0.224 69 S C 1.182 175.793 174.600 0.019 0.000 0.996 69 S CA 0.312 58.511 58.200 -0.001 0.000 0.927 69 S CB -0.221 62.989 63.200 0.016 0.000 0.774 69 S HN 0.533 nan 8.310 nan 0.000 0.524 70 K N 0.227 120.635 120.400 0.013 0.000 3.193 70 K HA -0.209 4.110 4.320 -0.001 0.000 0.294 70 K C -0.401 176.206 176.600 0.012 0.000 1.185 70 K CA 1.037 57.330 56.287 0.010 0.000 0.866 70 K CB -2.110 30.396 32.500 0.011 0.000 1.227 70 K HN 0.679 nan 8.250 nan 0.000 0.467 71 Q N 0.505 120.321 119.800 0.027 0.000 2.221 71 Q HA 0.332 4.672 4.340 -0.001 0.000 0.242 71 Q C -2.307 173.716 176.000 0.039 0.000 0.940 71 Q CA -1.995 53.836 55.803 0.046 0.000 0.896 71 Q CB 0.973 29.766 28.738 0.092 0.000 1.226 71 Q HN -0.037 nan 8.270 nan 0.000 0.463 72 P HA 0.158 nan 4.420 nan 0.000 0.285 72 P C -1.165 176.171 177.300 0.060 0.000 1.259 72 P CA -0.214 62.910 63.100 0.039 0.000 0.794 72 P CB 0.903 32.629 31.700 0.043 0.000 0.940 73 V N 2.469 122.405 119.914 0.036 0.000 2.531 73 V HA 0.606 4.725 4.120 -0.001 0.000 0.301 73 V C 0.263 176.363 176.094 0.011 0.000 1.034 73 V CA -0.865 61.462 62.300 0.046 0.000 0.865 73 V CB 1.615 33.447 31.823 0.015 0.000 0.995 73 V HN 0.721 nan 8.190 nan 0.000 0.424 74 A N 4.691 127.506 122.820 -0.009 0.000 2.304 74 A HA 0.870 5.189 4.320 -0.001 0.000 0.301 74 A C -0.616 176.941 177.584 -0.044 0.000 1.132 74 A CA -0.404 51.606 52.037 -0.045 0.000 0.819 74 A CB 1.178 20.109 19.000 -0.115 0.000 1.094 74 A HN 0.728 nan 8.150 nan 0.000 0.492 75 V N 2.367 122.270 119.914 -0.020 0.000 2.789 75 V HA 0.496 4.615 4.120 -0.001 0.000 0.311 75 V C -0.698 175.413 176.094 0.028 0.000 1.073 75 V CA -0.233 62.069 62.300 0.003 0.000 0.921 75 V CB 1.781 33.609 31.823 0.008 0.000 1.009 75 V HN 0.738 nan 8.190 nan 0.000 0.426 76 I N 4.986 125.580 120.570 0.040 0.000 2.478 76 I HA 0.735 4.905 4.170 -0.001 0.000 0.287 76 I C -0.518 175.647 176.117 0.079 0.000 1.042 76 I CA -0.903 60.438 61.300 0.067 0.000 1.067 76 I CB 1.906 39.941 38.000 0.060 0.000 1.233 76 I HN 0.505 nan 8.210 nan 0.000 0.431 77 V N 1.418 121.392 119.914 0.101 0.000 3.141 77 V HA 0.649 4.769 4.120 -0.001 0.000 0.312 77 V C -0.197 175.965 176.094 0.113 0.000 1.157 77 V CA -0.468 61.892 62.300 0.101 0.000 1.041 77 V CB 1.872 33.756 31.823 0.102 0.000 1.071 77 V HN 0.726 nan 8.190 nan 0.000 0.441 78 T N 1.176 115.791 114.554 0.101 0.000 2.770 78 T HA 0.464 4.814 4.350 -0.001 0.000 0.281 78 T C 0.563 175.327 174.700 0.106 0.000 0.981 78 T CA 0.439 62.599 62.100 0.101 0.000 0.955 78 T CB 0.867 69.787 68.868 0.086 0.000 1.060 78 T HN 1.773 nan 8.240 nan 0.000 0.531 79 S N 0.009 115.768 115.700 0.099 0.000 2.614 79 S HA 0.692 5.162 4.470 -0.001 0.000 0.265 79 S C 0.698 175.339 174.600 0.068 0.000 1.303 79 S CA 0.138 58.389 58.200 0.085 0.000 1.000 79 S CB 0.363 63.609 63.200 0.077 0.000 0.935 79 S HN 1.687 nan 8.310 nan 0.000 0.551 80 G N 0.668 109.499 108.800 0.052 0.000 2.384 80 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.204 80 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.204 80 G C 0.555 175.479 174.900 0.041 0.000 1.237 80 G CA 0.573 45.698 45.100 0.042 0.000 1.060 80 G HN 1.807 nan 8.290 nan 0.000 0.514 81 T N -0.955 113.626 114.554 0.046 0.000 3.051 81 T HA 0.319 4.669 4.350 -0.001 0.000 0.269 81 T C 2.488 177.233 174.700 0.075 0.000 1.127 81 T CA 2.195 64.328 62.100 0.055 0.000 1.107 81 T CB -0.276 68.625 68.868 0.055 0.000 0.898 81 T HN 2.019 nan 8.240 nan 0.000 0.517 82 A N 1.144 124.010 122.820 0.077 0.000 1.978 82 A HA 0.046 4.366 4.320 -0.001 0.000 0.220 82 A C 2.556 180.206 177.584 0.111 0.000 1.170 82 A CA 1.570 53.660 52.037 0.089 0.000 0.636 82 A CB -1.032 18.018 19.000 0.085 0.000 0.810 82 A HN 0.447 nan 8.150 nan 0.000 0.448 83 V N -0.347 119.637 119.914 0.116 0.000 2.307 83 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 83 V C 2.972 179.194 176.094 0.214 0.000 1.045 83 V CA 1.818 64.219 62.300 0.168 0.000 1.024 83 V CB -1.091 30.800 31.823 0.114 0.000 0.651 83 V HN 0.595 nan 8.190 nan 0.000 0.449 84 A N -0.142 122.749 122.820 0.118 0.000 2.178 84 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 84 A C 1.965 179.677 177.584 0.213 0.000 1.157 84 A CA 1.444 53.567 52.037 0.143 0.000 0.689 84 A CB -0.576 18.467 19.000 0.072 0.000 0.787 84 A HN 0.605 nan 8.150 nan 0.000 0.465 85 N N -0.092 118.710 118.700 0.170 0.000 2.416 85 N HA 0.016 4.756 4.740 -0.001 0.000 0.177 85 N C 1.449 177.037 175.510 0.131 0.000 1.036 85 N CA 0.679 53.820 53.050 0.152 0.000 0.901 85 N CB -0.166 38.392 38.487 0.118 0.000 0.976 85 N HN 0.521 nan 8.380 nan 0.000 0.444 86 L N 0.027 121.311 121.223 0.102 0.000 2.265 86 L HA -0.181 4.158 4.340 -0.001 0.000 0.215 86 L C 2.139 178.950 176.870 -0.098 0.000 1.117 86 L CA 0.713 55.533 54.840 -0.033 0.000 0.782 86 L CB -0.590 41.408 42.059 -0.101 0.000 0.914 86 L HN 0.084 nan 8.230 nan 0.000 0.441 87 Y N 1.118 121.365 120.300 -0.089 0.000 2.062 87 Y HA -0.233 4.316 4.550 -0.001 0.000 0.276 87 Y C 0.006 175.811 175.900 -0.159 0.000 1.189 87 Y CA 1.642 59.666 58.100 -0.127 0.000 1.130 87 Y CB -1.863 36.642 38.460 0.075 0.000 0.959 87 Y HN 0.182 nan 8.280 nan 0.000 0.499 88 P HA -0.169 nan 4.420 nan 0.000 0.213 88 P C 1.643 178.866 177.300 -0.128 0.000 1.170 88 P CA 2.656 65.759 63.100 0.006 0.000 0.898 88 P CB -0.380 31.433 31.700 0.188 0.000 0.787 89 A N -0.878 121.722 122.820 -0.368 0.000 1.948 89 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 89 A C 2.173 179.593 177.584 -0.274 0.000 1.177 89 A CA 1.773 53.467 52.037 -0.572 0.000 0.636 89 A CB -1.704 16.921 19.000 -0.626 0.000 0.815 89 A HN 0.167 nan 8.150 nan 0.000 0.449 90 L N -0.354 120.739 121.223 -0.216 0.000 2.007 90 L HA -0.038 4.302 4.340 -0.001 0.000 0.205 90 L C 2.223 179.048 176.870 -0.076 0.000 1.073 90 L CA 1.693 56.421 54.840 -0.186 0.000 0.744 90 L CB -0.607 41.242 42.059 -0.350 0.000 0.898 90 L HN 0.418 nan 8.230 nan 0.000 0.435 91 I N -0.036 120.498 120.570 -0.060 0.000 2.065 91 I HA -0.415 3.754 4.170 -0.001 0.000 0.236 91 I C 2.569 178.678 176.117 -0.013 0.000 1.028 91 I CA 2.005 63.273 61.300 -0.053 0.000 1.299 91 I CB -0.471 37.374 38.000 -0.258 0.000 1.015 91 I HN 0.398 nan 8.210 nan 0.000 0.396 92 E N 0.936 121.110 120.200 -0.044 0.000 2.086 92 E HA -0.295 4.054 4.350 -0.001 0.000 0.200 92 E C 2.016 178.608 176.600 -0.013 0.000 1.012 92 E CA 2.153 58.543 56.400 -0.016 0.000 0.812 92 E CB -0.362 29.334 29.700 -0.007 0.000 0.743 92 E HN 0.493 nan 8.360 nan 0.000 0.453 93 A N 0.062 122.858 122.820 -0.040 0.000 1.902 93 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 93 A C 2.539 180.117 177.584 -0.010 0.000 1.181 93 A CA 1.858 53.875 52.037 -0.033 0.000 0.623 93 A CB -1.434 17.528 19.000 -0.062 0.000 0.818 93 A HN 0.441 nan 8.150 nan 0.000 0.443 94 G N -0.124 108.679 108.800 0.005 0.000 2.503 94 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.221 94 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.221 94 G C 1.525 176.441 174.900 0.026 0.000 1.131 94 G CA 1.291 46.408 45.100 0.028 0.000 0.756 94 G HN 0.459 nan 8.290 nan 0.000 0.572 95 L N 0.400 121.640 121.223 0.028 0.000 2.102 95 L HA 0.037 4.376 4.340 -0.001 0.000 0.202 95 L C 3.174 180.053 176.870 0.015 0.000 1.076 95 L CA 1.656 56.510 54.840 0.022 0.000 0.761 95 L CB -0.687 41.387 42.059 0.024 0.000 0.921 95 L HN 0.394 nan 8.230 nan 0.000 0.444 96 T N -4.012 110.550 114.554 0.014 0.000 3.067 96 T HA 0.255 4.604 4.350 -0.001 0.000 0.257 96 T C 1.415 176.123 174.700 0.013 0.000 1.105 96 T CA 0.663 62.772 62.100 0.016 0.000 1.104 96 T CB 0.788 69.672 68.868 0.026 0.000 0.925 96 T HN 0.488 nan 8.240 nan 0.000 0.498 97 G N 0.805 109.609 108.800 0.007 0.000 2.253 97 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.209 97 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.209 97 G C -0.189 174.704 174.900 -0.013 0.000 0.997 97 G CA -0.258 44.843 45.100 0.001 0.000 0.640 97 G HN 0.581 nan 8.290 nan 0.000 0.496 98 E N 1.423 121.616 120.200 -0.011 0.000 2.534 98 E HA 0.363 4.712 4.350 -0.001 0.000 0.264 98 E C 0.445 177.027 176.600 -0.028 0.000 0.981 98 E CA 0.719 57.107 56.400 -0.020 0.000 0.948 98 E CB 0.381 30.065 29.700 -0.027 0.000 0.934 98 E HN 0.426 nan 8.360 nan 0.000 0.459 99 K N 2.848 123.232 120.400 -0.027 0.000 2.253 99 K HA 0.343 4.662 4.320 -0.001 0.000 0.277 99 K C -0.619 175.966 176.600 -0.024 0.000 1.053 99 K CA -0.230 56.042 56.287 -0.025 0.000 0.892 99 K CB 0.608 33.098 32.500 -0.018 0.000 1.102 99 K HN 0.317 nan 8.250 nan 0.000 0.469 100 L N 5.004 126.209 121.223 -0.030 0.000 2.343 100 L HA 0.433 4.772 4.340 -0.001 0.000 0.278 100 L C -0.504 176.358 176.870 -0.013 0.000 0.996 100 L CA -1.056 53.764 54.840 -0.032 0.000 0.831 100 L CB 1.284 43.306 42.059 -0.063 0.000 1.232 100 L HN 0.419 nan 8.230 nan 0.000 0.413 101 I N 5.198 125.767 120.570 -0.002 0.000 2.301 101 I HA 0.262 4.432 4.170 -0.001 0.000 0.292 101 I C -0.009 176.124 176.117 0.027 0.000 1.046 101 I CA -0.276 61.033 61.300 0.014 0.000 1.282 101 I CB 0.949 38.955 38.000 0.010 0.000 1.409 101 I HN 0.488 nan 8.210 nan 0.000 0.484 102 L N 7.461 128.722 121.223 0.063 0.000 2.287 102 L HA 0.410 4.750 4.340 -0.001 0.000 0.280 102 L C -0.230 176.718 176.870 0.131 0.000 1.055 102 L CA -0.442 54.466 54.840 0.114 0.000 0.863 102 L CB 0.513 42.684 42.059 0.186 0.000 1.245 102 L HN 0.395 nan 8.230 nan 0.000 0.432 103 L N 3.545 124.829 121.223 0.101 0.000 2.282 103 L HA 0.331 4.671 4.340 -0.001 0.000 0.287 103 L C 0.543 177.499 176.870 0.144 0.000 1.075 103 L CA -0.296 54.606 54.840 0.104 0.000 0.839 103 L CB 0.568 42.689 42.059 0.103 0.000 1.219 103 L HN 0.526 nan 8.230 nan 0.000 0.434 104 T N 0.258 114.905 114.554 0.155 0.000 2.874 104 T HA 0.682 5.031 4.350 -0.001 0.000 0.321 104 T C 0.351 175.153 174.700 0.169 0.000 1.075 104 T CA -0.720 61.496 62.100 0.193 0.000 0.966 104 T CB 1.289 70.341 68.868 0.306 0.000 1.001 104 T HN 0.583 nan 8.240 nan 0.000 0.476 105 A N 3.218 126.161 122.820 0.205 0.000 2.555 105 A HA 0.446 4.765 4.320 -0.001 0.000 0.233 105 A C 0.363 178.053 177.584 0.176 0.000 1.060 105 A CA 0.032 52.228 52.037 0.265 0.000 0.759 105 A CB -0.044 19.119 19.000 0.272 0.000 0.995 105 A HN 0.922 nan 8.150 nan 0.000 0.506 106 D N -0.484 120.010 120.400 0.157 0.000 2.583 106 D HA 0.397 5.036 4.640 -0.001 0.000 0.248 106 D C -0.452 175.890 176.300 0.070 0.000 1.209 106 D CA -0.609 53.440 54.000 0.081 0.000 0.848 106 D CB 1.088 41.905 40.800 0.028 0.000 1.431 106 D HN 0.447 nan 8.370 nan 0.000 0.436 107 R N 1.148 121.673 120.500 0.042 0.000 2.637 107 R HA 0.406 4.745 4.340 -0.001 0.000 0.269 107 R C -1.927 174.367 176.300 -0.010 0.000 1.089 107 R CA -1.289 54.828 56.100 0.028 0.000 1.177 107 R CB -0.213 30.101 30.300 0.022 0.000 1.091 107 R HN 0.385 nan 8.270 nan 0.000 0.540 108 P HA 0.083 nan 4.420 nan 0.000 0.272 108 P C -1.918 175.356 177.300 -0.043 0.000 1.230 108 P CA -1.252 61.815 63.100 -0.055 0.000 0.788 108 P CB 0.160 31.826 31.700 -0.057 0.000 0.949 109 P HA -0.230 nan 4.420 nan 0.000 0.217 109 P C 1.040 178.320 177.300 -0.032 0.000 1.158 109 P CA 1.878 64.953 63.100 -0.041 0.000 0.887 109 P CB -0.279 31.391 31.700 -0.049 0.000 0.792 110 E N -0.809 119.370 120.200 -0.036 0.000 2.396 110 E HA -0.089 4.260 4.350 -0.001 0.000 0.200 110 E C 1.713 178.301 176.600 -0.019 0.000 1.023 110 E CA 0.705 57.088 56.400 -0.028 0.000 0.857 110 E CB -0.741 28.940 29.700 -0.031 0.000 0.775 110 E HN 0.351 nan 8.360 nan 0.000 0.525 111 L N 0.271 121.485 121.223 -0.016 0.000 2.858 111 L HA 0.222 4.562 4.340 -0.001 0.000 0.251 111 L C -0.094 176.773 176.870 -0.005 0.000 1.149 111 L CA -0.329 54.507 54.840 -0.007 0.000 0.955 111 L CB 0.403 42.461 42.059 -0.002 0.000 1.289 111 L HN 0.077 nan 8.230 nan 0.000 0.542 112 I N 0.049 120.614 120.570 -0.009 0.000 2.440 112 I HA 0.182 4.352 4.170 -0.001 0.000 0.294 112 I C 0.322 176.434 176.117 -0.008 0.000 0.995 112 I CA 0.010 61.305 61.300 -0.008 0.000 1.306 112 I CB 0.936 38.929 38.000 -0.011 0.000 1.407 112 I HN 0.129 nan 8.210 nan 0.000 0.501 113 D N 3.506 123.903 120.400 -0.006 0.000 2.800 113 D HA -0.170 4.469 4.640 -0.001 0.000 0.232 113 D C 0.312 176.609 176.300 -0.004 0.000 1.137 113 D CA 0.941 54.938 54.000 -0.005 0.000 0.718 113 D CB -1.095 39.701 40.800 -0.006 0.000 1.084 113 D HN 0.870 nan 8.370 nan 0.000 0.432 114 C N -2.892 116.406 119.300 -0.003 0.000 3.061 114 C HA 0.666 5.126 4.460 -0.001 0.000 0.249 114 C C 1.621 176.611 174.990 -0.000 0.000 2.060 114 C CA 0.044 59.060 59.018 -0.003 0.000 1.649 114 C CB -0.147 27.591 27.740 -0.005 0.000 3.268 114 C HN 0.623 nan 8.230 nan 0.000 0.457 115 G N 1.598 110.399 108.800 0.001 0.000 2.449 115 G HA2 0.106 4.066 3.960 -0.001 0.000 0.304 115 G HA3 0.106 4.066 3.960 -0.001 0.000 0.304 115 G C 0.492 175.395 174.900 0.005 0.000 0.962 115 G CA 0.736 45.838 45.100 0.003 0.000 0.943 115 G HN 1.726 nan 8.290 nan 0.000 0.514 116 A N -0.465 122.358 122.820 0.005 0.000 2.304 116 A HA 0.567 4.886 4.320 -0.001 0.000 0.271 116 A C 0.796 178.387 177.584 0.012 0.000 1.091 116 A CA -0.237 51.805 52.037 0.008 0.000 0.812 116 A CB 0.354 19.359 19.000 0.008 0.000 1.056 116 A HN 0.536 nan 8.150 nan 0.000 0.489 117 N N 0.634 119.343 118.700 0.015 0.000 2.411 117 N HA -0.051 4.689 4.740 -0.001 0.000 0.261 117 N C 0.342 175.866 175.510 0.024 0.000 1.248 117 N CA 0.917 53.978 53.050 0.019 0.000 0.885 117 N CB 0.213 38.713 38.487 0.022 0.000 1.062 117 N HN 0.777 nan 8.380 nan 0.000 0.471 118 Q N -0.091 119.724 119.800 0.024 0.000 2.452 118 Q HA -0.254 4.086 4.340 -0.001 0.000 0.248 118 Q C -1.143 174.873 176.000 0.027 0.000 0.874 118 Q CA 0.906 56.727 55.803 0.029 0.000 1.208 118 Q CB -1.052 27.708 28.738 0.038 0.000 1.569 118 Q HN 0.679 nan 8.270 nan 0.000 0.579 119 A N 0.966 123.798 122.820 0.020 0.000 2.274 119 A HA 0.724 5.043 4.320 -0.001 0.000 0.309 119 A C 0.081 177.669 177.584 0.008 0.000 1.226 119 A CA -0.300 51.746 52.037 0.016 0.000 0.853 119 A CB 0.412 19.419 19.000 0.012 0.000 1.146 119 A HN 0.496 nan 8.150 nan 0.000 0.518 120 I N -0.812 119.760 120.570 0.004 0.000 3.174 120 I HA 0.616 4.786 4.170 -0.001 0.000 0.313 120 I C -0.485 175.623 176.117 -0.015 0.000 1.155 120 I CA -1.382 59.913 61.300 -0.008 0.000 0.977 120 I CB 1.976 39.967 38.000 -0.015 0.000 1.248 120 I HN 0.544 nan 8.210 nan 0.000 0.453 121 R N 2.449 122.934 120.500 -0.024 0.000 2.296 121 R HA 0.237 4.577 4.340 -0.001 0.000 0.323 121 R C -0.240 176.028 176.300 -0.052 0.000 1.067 121 R CA -0.174 55.908 56.100 -0.029 0.000 0.946 121 R CB 1.170 31.454 30.300 -0.027 0.000 0.991 121 R HN 0.739 nan 8.270 nan 0.000 0.448 122 Q N 1.478 121.256 119.800 -0.037 0.000 2.431 122 Q HA 0.129 4.468 4.340 -0.001 0.000 0.244 122 Q C -1.848 174.155 176.000 0.004 0.000 0.880 122 Q CA -0.286 55.490 55.803 -0.045 0.000 0.954 122 Q CB 0.427 29.169 28.738 0.007 0.000 1.105 122 Q HN 0.445 nan 8.270 nan 0.000 0.558 123 P HA 0.126 nan 4.420 nan 0.000 0.276 123 P C 0.183 177.494 177.300 0.019 0.000 1.235 123 P CA 0.965 64.104 63.100 0.064 0.000 0.772 123 P CB 0.988 32.716 31.700 0.046 0.000 0.871 124 G N 3.342 112.159 108.800 0.029 0.000 2.176 124 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.232 124 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.232 124 G C 0.714 175.553 174.900 -0.101 0.000 0.986 124 G CA 0.403 45.503 45.100 0.000 0.000 0.643 124 G HN 0.583 nan 8.290 nan 0.000 0.522 125 M N -1.593 117.833 119.600 -0.289 0.000 2.349 125 M HA 0.408 4.887 4.480 -0.001 0.000 0.266 125 M C 1.863 177.756 176.300 -0.679 0.000 1.076 125 M CA 1.435 56.441 55.300 -0.491 0.000 1.126 125 M CB -0.406 31.823 32.600 -0.618 0.000 1.392 125 M HN 0.052 nan 8.290 nan 0.000 0.440 126 F N 1.507 121.251 119.950 -0.343 0.000 2.797 126 F HA 0.577 5.104 4.527 -0.001 0.000 0.302 126 F C 1.850 177.724 175.800 0.124 0.000 1.130 126 F CA -0.008 57.776 58.000 -0.360 0.000 1.387 126 F CB -0.942 37.824 39.000 -0.390 0.000 1.107 126 F HN 0.436 nan 8.300 nan 0.000 0.577 127 A N 0.609 123.541 122.820 0.188 0.000 5.277 127 A HA -0.367 3.952 4.320 -0.001 0.000 0.304 127 A C 1.645 179.334 177.584 0.176 0.000 1.976 127 A CA 1.874 54.023 52.037 0.188 0.000 0.715 127 A CB -2.157 16.985 19.000 0.237 0.000 1.275 127 A HN 0.690 nan 8.150 nan 0.000 0.367 128 S N -0.555 115.209 115.700 0.105 0.000 2.622 128 S HA 0.293 4.763 4.470 -0.001 0.000 0.236 128 S C 0.970 175.501 174.600 -0.115 0.000 0.956 128 S CA 0.755 58.947 58.200 -0.014 0.000 0.971 128 S CB -0.519 62.636 63.200 -0.075 0.000 0.782 128 S HN 0.701 nan 8.310 nan 0.000 0.468 129 H N 1.867 121.043 119.070 0.177 0.000 2.497 129 H HA 0.231 4.787 4.556 -0.001 0.000 0.282 129 H C -1.852 173.528 175.328 0.088 0.000 1.003 129 H CA -0.073 56.066 56.048 0.153 0.000 1.307 129 H CB -0.699 29.222 29.762 0.264 0.000 1.437 129 H HN 0.505 nan 8.280 nan 0.000 0.544 130 P HA 0.126 nan 4.420 nan 0.000 0.290 130 P C 0.686 178.017 177.300 0.052 0.000 1.276 130 P CA 0.031 63.195 63.100 0.107 0.000 0.808 130 P CB 1.870 33.673 31.700 0.172 0.000 0.966 131 T N 0.751 115.290 114.554 -0.025 0.000 2.684 131 T HA -0.102 4.248 4.350 -0.001 0.000 0.267 131 T C 0.582 175.160 174.700 -0.203 0.000 1.036 131 T CA 1.639 63.644 62.100 -0.158 0.000 1.148 131 T CB -0.476 68.239 68.868 -0.255 0.000 0.863 131 T HN 0.521 nan 8.240 nan 0.000 0.436 132 H N -0.351 118.747 119.070 0.047 0.000 2.717 132 H HA 0.641 5.196 4.556 -0.001 0.000 0.366 132 H C -0.951 174.430 175.328 0.089 0.000 1.132 132 H CA -0.867 55.212 56.048 0.052 0.000 1.180 132 H CB 1.819 31.586 29.762 0.007 0.000 1.678 132 H HN -0.000 nan 8.280 nan 0.000 0.537 133 S N 2.458 118.304 115.700 0.244 0.000 2.519 133 S HA 0.521 4.991 4.470 -0.001 0.000 0.309 133 S C 0.127 174.801 174.600 0.125 0.000 1.100 133 S CA -0.624 57.697 58.200 0.201 0.000 1.059 133 S CB 0.742 64.070 63.200 0.214 0.000 1.008 133 S HN 0.351 nan 8.310 nan 0.000 0.478 134 I N 2.315 122.925 120.570 0.067 0.000 2.378 134 I HA 0.366 4.536 4.170 -0.001 0.000 0.291 134 I C 0.168 176.290 176.117 0.007 0.000 0.992 134 I CA -0.324 60.996 61.300 0.032 0.000 1.154 134 I CB 1.911 39.907 38.000 -0.006 0.000 1.315 134 I HN 0.504 nan 8.210 nan 0.000 0.448 135 S N 7.703 123.437 115.700 0.057 0.000 2.457 135 S HA 0.461 4.931 4.470 -0.001 0.000 0.216 135 S C -0.107 174.553 174.600 0.100 0.000 1.392 135 S CA -0.636 57.594 58.200 0.050 0.000 1.102 135 S CB -0.190 63.046 63.200 0.060 0.000 1.114 135 S HN 0.439 nan 8.310 nan 0.000 0.484 136 L N 5.241 126.530 121.223 0.110 0.000 2.543 136 L HA 0.189 4.528 4.340 -0.001 0.000 0.285 136 L C -1.413 175.546 176.870 0.149 0.000 1.236 136 L CA -0.996 53.976 54.840 0.220 0.000 0.871 136 L CB 0.121 42.330 42.059 0.251 0.000 1.121 136 L HN 0.448 nan 8.230 nan 0.000 0.501 137 P HA 0.115 nan 4.420 nan 0.000 0.302 137 P C -0.867 176.375 177.300 -0.096 0.000 1.307 137 P CA -0.807 62.306 63.100 0.022 0.000 0.754 137 P CB 0.467 32.154 31.700 -0.023 0.000 1.298 138 R N 0.825 121.222 120.500 -0.172 0.000 2.404 138 R HA 0.175 4.514 4.340 -0.001 0.000 0.315 138 R C -1.877 174.147 176.300 -0.460 0.000 1.032 138 R CA -1.303 54.629 56.100 -0.279 0.000 0.992 138 R CB -0.754 29.423 30.300 -0.204 0.000 0.959 138 R HN 0.318 nan 8.270 nan 0.000 0.428 139 P HA -0.052 nan 4.420 nan 0.000 0.263 139 P C -0.789 176.115 177.300 -0.660 0.000 1.175 139 P CA 0.372 62.662 63.100 -1.351 0.000 0.761 139 P CB 0.965 31.880 31.700 -1.307 0.000 0.794 140 T N 1.036 115.269 114.554 -0.535 0.000 2.957 140 T HA 0.107 4.457 4.350 -0.001 0.000 0.336 140 T C 0.566 174.963 174.700 -0.506 0.000 1.462 140 T CA -0.500 61.265 62.100 -0.559 0.000 1.073 140 T CB 0.954 69.613 68.868 -0.347 0.000 1.319 140 T HN 0.321 nan 8.240 nan 0.000 0.485 141 Q N 0.671 119.910 119.800 -0.935 0.000 2.291 141 Q HA -0.088 4.252 4.340 -0.001 0.000 0.206 141 Q C 0.552 176.550 176.000 -0.003 0.000 0.976 141 Q CA 1.472 56.932 55.803 -0.571 0.000 0.875 141 Q CB 0.037 28.424 28.738 -0.585 0.000 0.927 141 Q HN 0.614 nan 8.270 nan 0.000 0.450 142 D N -0.009 120.352 120.400 -0.065 0.000 2.403 142 D HA -0.019 4.621 4.640 -0.001 0.000 0.227 142 D C -0.172 176.179 176.300 0.085 0.000 0.995 142 D CA 0.848 54.856 54.000 0.012 0.000 0.928 142 D CB 0.072 40.836 40.800 -0.061 0.000 0.887 142 D HN 0.222 nan 8.370 nan 0.000 0.529 143 I N 2.178 122.875 120.570 0.213 0.000 2.382 143 I HA 0.213 4.383 4.170 -0.001 0.000 0.285 143 I C -2.148 174.303 176.117 0.556 0.000 1.007 143 I CA -2.361 59.096 61.300 0.260 0.000 1.142 143 I CB 2.065 40.179 38.000 0.191 0.000 1.289 143 I HN -0.280 nan 8.210 nan 0.000 0.453 144 P HA 0.009 nan 4.420 nan 0.000 0.270 144 P C 0.432 177.748 177.300 0.025 0.000 1.223 144 P CA -0.147 63.090 63.100 0.228 0.000 0.785 144 P CB 1.054 32.787 31.700 0.055 0.000 0.923 145 A N 2.877 125.284 122.820 -0.688 0.000 2.067 145 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 145 A C 2.193 179.309 177.584 -0.780 0.000 1.158 145 A CA 1.215 52.634 52.037 -1.030 0.000 0.661 145 A CB -0.875 17.154 19.000 -1.618 0.000 0.801 145 A HN 0.659 nan 8.150 nan 0.000 0.452 146 R N -1.906 118.170 120.500 -0.707 0.000 2.075 146 R HA -0.175 4.165 4.340 -0.001 0.000 0.232 146 R C 2.065 178.025 176.300 -0.566 0.000 1.126 146 R CA 1.413 56.950 56.100 -0.938 0.000 0.963 146 R CB -0.807 29.094 30.300 -0.664 0.000 0.858 146 R HN 0.595 nan 8.270 nan 0.000 0.435 147 W N 2.051 123.140 121.300 -0.352 0.000 2.333 147 W HA -0.211 4.449 4.660 -0.001 0.000 0.316 147 W C 1.931 178.311 176.519 -0.231 0.000 1.215 147 W CA 1.381 58.608 57.345 -0.196 0.000 1.278 147 W CB -0.448 28.972 29.460 -0.067 0.000 1.154 147 W HN 0.085 nan 8.180 nan 0.000 0.486 148 L N 0.557 121.713 121.223 -0.112 0.000 1.978 148 L HA -0.237 4.103 4.340 -0.001 0.000 0.218 148 L C 2.504 179.012 176.870 -0.602 0.000 1.075 148 L CA 2.510 57.110 54.840 -0.400 0.000 0.767 148 L CB -1.685 40.122 42.059 -0.419 0.000 0.890 148 L HN 0.094 nan 8.230 nan 0.000 0.434 149 V N -1.731 117.798 119.914 -0.642 0.000 2.548 149 V HA -0.192 3.927 4.120 -0.001 0.000 0.249 149 V C 2.509 178.317 176.094 -0.476 0.000 1.055 149 V CA 1.843 63.771 62.300 -0.620 0.000 1.065 149 V CB 0.161 31.407 31.823 -0.962 0.000 0.681 149 V HN 0.605 nan 8.190 nan 0.000 0.462 150 S N -0.145 115.245 115.700 -0.517 0.000 2.383 150 S HA -0.203 4.266 4.470 -0.001 0.000 0.229 150 S C 1.911 176.313 174.600 -0.330 0.000 1.030 150 S CA 2.154 60.188 58.200 -0.275 0.000 1.002 150 S CB -0.398 62.672 63.200 -0.217 0.000 0.829 150 S HN 0.779 nan 8.310 nan 0.000 0.467 151 T N 1.862 116.054 114.554 -0.603 0.000 2.867 151 T HA 0.062 4.411 4.350 -0.001 0.000 0.268 151 T C 1.671 176.191 174.700 -0.299 0.000 1.057 151 T CA 0.931 62.701 62.100 -0.550 0.000 1.136 151 T CB -0.270 68.036 68.868 -0.938 0.000 0.874 151 T HN 0.291 nan 8.240 nan 0.000 0.466 152 I N 1.307 121.705 120.570 -0.286 0.000 2.353 152 I HA -0.098 4.071 4.170 -0.001 0.000 0.248 152 I C 2.216 178.216 176.117 -0.195 0.000 1.119 152 I CA 1.005 62.185 61.300 -0.200 0.000 1.417 152 I CB -0.337 37.565 38.000 -0.164 0.000 1.078 152 I HN 0.035 nan 8.210 nan 0.000 0.421 153 D N -0.152 120.190 120.400 -0.096 0.000 2.116 153 D HA -0.282 4.357 4.640 -0.001 0.000 0.193 153 D C 2.060 178.360 176.300 0.000 0.000 0.998 153 D CA 1.798 55.824 54.000 0.043 0.000 0.836 153 D CB -0.337 40.554 40.800 0.152 0.000 0.951 153 D HN 0.484 nan 8.370 nan 0.000 0.449 154 H N 0.246 119.250 119.070 -0.110 0.000 2.326 154 H HA 0.072 4.627 4.556 -0.001 0.000 0.301 154 H C 1.852 177.086 175.328 -0.158 0.000 1.081 154 H CA 2.196 58.175 56.048 -0.116 0.000 1.334 154 H CB -0.329 29.340 29.762 -0.154 0.000 1.385 154 H HN 0.041 nan 8.280 nan 0.000 0.504 155 A N 0.473 123.082 122.820 -0.351 0.000 1.873 155 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 155 A C 2.374 179.852 177.584 -0.176 0.000 1.193 155 A CA 1.979 53.813 52.037 -0.340 0.000 0.629 155 A CB -0.967 17.940 19.000 -0.156 0.000 0.826 155 A HN 0.442 nan 8.150 nan 0.000 0.447 156 L N -0.550 120.524 121.223 -0.249 0.000 2.179 156 L HA 0.066 4.405 4.340 -0.001 0.000 0.208 156 L C 2.698 179.503 176.870 -0.108 0.000 1.096 156 L CA 1.403 56.080 54.840 -0.272 0.000 0.779 156 L CB -0.666 40.976 42.059 -0.695 0.000 0.922 156 L HN 0.415 nan 8.230 nan 0.000 0.443 157 G N -1.354 107.416 108.800 -0.051 0.000 2.408 157 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.217 157 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.217 157 G C 1.434 176.354 174.900 0.034 0.000 1.150 157 G CA 1.232 46.379 45.100 0.079 0.000 0.776 157 G HN 0.431 nan 8.290 nan 0.000 0.542 158 T N -1.706 112.831 114.554 -0.028 0.000 3.186 158 T HA 0.428 4.778 4.350 -0.001 0.000 0.257 158 T C 0.477 175.253 174.700 0.126 0.000 1.029 158 T CA -0.555 61.562 62.100 0.029 0.000 0.916 158 T CB 0.170 68.995 68.868 -0.073 0.000 1.041 158 T HN 0.016 nan 8.240 nan 0.000 0.562 159 L N 2.421 123.691 121.223 0.079 0.000 2.363 159 L HA 0.393 4.732 4.340 -0.001 0.000 0.286 159 L C 1.171 178.060 176.870 0.032 0.000 1.106 159 L CA -0.163 54.700 54.840 0.038 0.000 0.859 159 L CB 0.318 42.387 42.059 0.017 0.000 1.223 159 L HN 0.325 nan 8.230 nan 0.000 0.446 160 H N 4.253 123.296 119.070 -0.045 0.000 2.333 160 H HA 0.431 4.986 4.556 -0.001 0.000 0.302 160 H C 0.308 175.615 175.328 -0.035 0.000 1.075 160 H CA 1.137 57.166 56.048 -0.032 0.000 1.348 160 H CB 0.458 30.198 29.762 -0.036 0.000 1.393 160 H HN 0.693 nan 8.280 nan 0.000 0.509 161 A N -1.783 121.054 122.820 0.028 0.000 2.586 161 A HA 0.588 4.908 4.320 -0.001 0.000 0.290 161 A C -0.031 177.537 177.584 -0.026 0.000 1.086 161 A CA -0.185 51.840 52.037 -0.021 0.000 0.665 161 A CB 0.574 19.585 19.000 0.018 0.000 1.279 161 A HN 0.990 nan 8.150 nan 0.000 0.423 162 G N -1.281 107.503 108.800 -0.028 0.000 2.660 162 G HA2 0.487 4.446 3.960 -0.001 0.000 0.247 162 G HA3 0.487 4.446 3.960 -0.001 0.000 0.247 162 G C 0.368 175.247 174.900 -0.035 0.000 1.328 162 G CA 0.006 45.088 45.100 -0.030 0.000 0.884 162 G HN 2.312 nan 8.290 nan 0.000 0.531 163 G N -1.711 107.072 108.800 -0.028 0.000 2.410 163 G HA2 0.742 4.702 3.960 -0.001 0.000 0.330 163 G HA3 0.742 4.702 3.960 -0.001 0.000 0.330 163 G C -0.715 174.196 174.900 0.018 0.000 1.142 163 G CA 0.077 45.166 45.100 -0.019 0.000 0.902 163 G HN 1.427 nan 8.290 nan 0.000 0.491 164 V N 1.599 121.541 119.914 0.046 0.000 2.487 164 V HA 0.310 4.429 4.120 -0.001 0.000 0.298 164 V C -0.500 175.686 176.094 0.154 0.000 1.028 164 V CA -0.824 61.536 62.300 0.100 0.000 0.860 164 V CB 1.595 33.459 31.823 0.069 0.000 0.991 164 V HN 0.862 nan 8.190 nan 0.000 0.427 165 H N 6.149 125.281 119.070 0.103 0.000 2.685 165 H HA 0.478 5.033 4.556 -0.001 0.000 0.286 165 H C -0.927 174.477 175.328 0.128 0.000 1.102 165 H CA -0.661 55.475 56.048 0.148 0.000 1.254 165 H CB 0.815 30.745 29.762 0.281 0.000 1.397 165 H HN 0.564 nan 8.280 nan 0.000 0.473 166 I N 4.689 125.175 120.570 -0.140 0.000 2.306 166 I HA 0.061 4.230 4.170 -0.001 0.000 0.288 166 I C 0.088 176.057 176.117 -0.248 0.000 1.036 166 I CA -0.560 60.642 61.300 -0.163 0.000 1.221 166 I CB 0.631 38.608 38.000 -0.039 0.000 1.385 166 I HN 0.499 nan 8.210 nan 0.000 0.472 167 N N 5.498 123.998 118.700 -0.333 0.000 2.488 167 N HA 0.299 5.039 4.740 -0.001 0.000 0.274 167 N C -1.082 174.391 175.510 -0.061 0.000 1.111 167 N CA -0.175 52.754 53.050 -0.202 0.000 0.974 167 N CB 0.774 39.159 38.487 -0.169 0.000 1.089 167 N HN 0.578 nan 8.380 nan 0.000 0.465 168 C N 5.556 124.838 119.300 -0.030 0.000 2.816 168 C HA 0.413 4.873 4.460 -0.001 0.000 0.255 168 C C -2.379 172.402 174.990 -0.347 0.000 1.141 168 C CA -1.699 57.248 59.018 -0.119 0.000 1.554 168 C CB 0.096 27.867 27.740 0.051 0.000 1.778 168 C HN 0.623 nan 8.230 nan 0.000 0.429 169 P HA 0.223 nan 4.420 nan 0.000 0.265 169 P C -0.711 176.154 177.300 -0.724 0.000 1.193 169 P CA 0.634 63.533 63.100 -0.336 0.000 0.765 169 P CB 0.243 31.810 31.700 -0.221 0.000 0.823 170 F N 0.996 120.914 119.950 -0.053 0.000 2.569 170 F HA 0.604 5.130 4.527 -0.001 0.000 0.312 170 F C 0.278 176.028 175.800 -0.084 0.000 1.109 170 F CA -0.914 57.032 58.000 -0.090 0.000 0.919 170 F CB 1.490 40.453 39.000 -0.060 0.000 1.211 170 F HN 0.185 nan 8.300 nan 0.000 0.446 171 A N 1.795 124.664 122.820 0.082 0.000 2.282 171 A HA 0.668 4.988 4.320 -0.001 0.000 0.319 171 A C -0.381 177.219 177.584 0.027 0.000 1.121 171 A CA -0.612 51.438 52.037 0.021 0.000 0.836 171 A CB 0.517 19.498 19.000 -0.031 0.000 1.146 171 A HN 0.804 nan 8.150 nan 0.000 0.494 172 E N 1.009 121.215 120.200 0.011 0.000 2.366 172 E HA 0.377 4.726 4.350 -0.001 0.000 0.266 172 E C -2.251 174.349 176.600 -0.001 0.000 1.051 172 E CA -1.140 55.262 56.400 0.003 0.000 0.884 172 E CB 0.266 29.976 29.700 0.017 0.000 1.006 172 E HN 0.450 nan 8.360 nan 0.000 0.417 173 P HA 0.095 nan 4.420 nan 0.000 0.279 173 P C -0.174 177.093 177.300 -0.055 0.000 1.239 173 P CA -0.075 63.027 63.100 0.004 0.000 0.789 173 P CB 0.733 32.447 31.700 0.024 0.000 0.933 174 L N 0.831 121.976 121.223 -0.131 0.000 2.416 174 L HA 0.130 4.469 4.340 -0.001 0.000 0.216 174 L C 0.078 176.619 176.870 -0.549 0.000 1.098 174 L CA 0.649 55.243 54.840 -0.410 0.000 0.840 174 L CB -0.178 41.500 42.059 -0.634 0.000 0.981 174 L HN 0.377 nan 8.230 nan 0.000 0.462 175 Y N -0.509 119.784 120.300 -0.012 0.000 2.446 175 Y HA 0.713 5.262 4.550 -0.001 0.000 0.345 175 Y C 0.515 176.414 175.900 -0.001 0.000 0.984 175 Y CA -0.856 57.238 58.100 -0.010 0.000 1.058 175 Y CB 1.965 40.420 38.460 -0.008 0.000 1.220 175 Y HN -0.117 nan 8.280 nan 0.000 0.455 176 G N 0.881 109.767 108.800 0.144 0.000 2.441 176 G HA2 0.281 4.241 3.960 -0.001 0.000 0.294 176 G HA3 0.281 4.241 3.960 -0.001 0.000 0.294 176 G C -1.858 173.081 174.900 0.064 0.000 1.393 176 G CA -1.141 44.010 45.100 0.086 0.000 0.796 176 G HN 0.510 nan 8.290 nan 0.000 0.494 177 E N -0.163 120.066 120.200 0.047 0.000 2.351 177 E HA 0.351 4.700 4.350 -0.001 0.000 0.266 177 E C 0.333 176.955 176.600 0.037 0.000 1.031 177 E CA -0.296 56.126 56.400 0.037 0.000 0.911 177 E CB 0.527 30.244 29.700 0.029 0.000 0.986 177 E HN 0.455 nan 8.360 nan 0.000 0.446 178 M N 5.467 125.088 119.600 0.035 0.000 2.162 178 M HA 0.120 4.600 4.480 -0.001 0.000 0.356 178 M C -0.725 175.595 176.300 0.033 0.000 1.303 178 M CA 0.186 55.507 55.300 0.035 0.000 1.116 178 M CB 0.751 33.370 32.600 0.031 0.000 1.632 178 M HN 0.499 nan 8.290 nan 0.000 0.469 179 D N 2.244 122.667 120.400 0.039 0.000 2.467 179 D HA 0.193 4.832 4.640 -0.001 0.000 0.245 179 D C -0.703 175.624 176.300 0.045 0.000 1.038 179 D CA -0.355 53.668 54.000 0.038 0.000 1.038 179 D CB 1.405 42.230 40.800 0.041 0.000 1.278 179 D HN 0.592 nan 8.370 nan 0.000 0.564 180 D N 0.172 120.598 120.400 0.044 0.000 2.396 180 D HA 0.092 4.731 4.640 -0.001 0.000 0.255 180 D C -0.317 176.031 176.300 0.079 0.000 1.224 180 D CA 0.397 54.428 54.000 0.052 0.000 0.894 180 D CB -0.334 40.493 40.800 0.045 0.000 0.939 180 D HN 0.158 nan 8.370 nan 0.000 0.506 181 T N -0.622 113.987 114.554 0.093 0.000 2.851 181 T HA 0.387 4.736 4.350 -0.001 0.000 0.298 181 T C 1.352 176.187 174.700 0.224 0.000 0.977 181 T CA 0.137 62.317 62.100 0.134 0.000 1.126 181 T CB 1.330 70.268 68.868 0.117 0.000 0.916 181 T HN 0.253 nan 8.240 nan 0.000 0.529 182 G N 2.448 111.423 108.800 0.293 0.000 2.203 182 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.263 182 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.263 182 G C 0.808 175.953 174.900 0.409 0.000 1.012 182 G CA 0.577 45.955 45.100 0.463 0.000 0.749 182 G HN 0.703 nan 8.290 nan 0.000 0.512 183 L N 1.144 122.516 121.223 0.248 0.000 2.044 183 L HA 0.063 4.402 4.340 -0.001 0.000 0.205 183 L C 2.921 179.896 176.870 0.175 0.000 1.075 183 L CA 2.930 57.867 54.840 0.160 0.000 0.747 183 L CB -0.434 41.675 42.059 0.083 0.000 0.903 183 L HN 0.543 nan 8.230 nan 0.000 0.435 184 S N -1.637 114.180 115.700 0.195 0.000 2.419 184 S HA -0.261 4.209 4.470 -0.001 0.000 0.233 184 S C 1.750 176.503 174.600 0.254 0.000 1.016 184 S CA 1.016 59.326 58.200 0.183 0.000 0.974 184 S CB -1.327 61.968 63.200 0.159 0.000 0.786 184 S HN 0.687 nan 8.310 nan 0.000 0.492 185 W N 2.325 123.715 121.300 0.150 0.000 2.379 185 W HA -0.016 4.644 4.660 -0.001 0.000 0.307 185 W C 2.408 179.035 176.519 0.180 0.000 1.200 185 W CA 1.437 58.897 57.345 0.190 0.000 1.297 185 W CB -0.438 29.217 29.460 0.325 0.000 1.140 185 W HN 0.264 nan 8.180 nan 0.000 0.507 186 Q N -0.275 119.706 119.800 0.302 0.000 2.170 186 Q HA -0.262 4.078 4.340 -0.001 0.000 0.203 186 Q C 1.993 178.149 176.000 0.259 0.000 0.976 186 Q CA 1.814 57.751 55.803 0.222 0.000 0.858 186 Q CB -0.332 28.527 28.738 0.202 0.000 0.907 186 Q HN 0.529 nan 8.270 nan 0.000 0.433 187 Q N -0.388 119.495 119.800 0.139 0.000 2.444 187 Q HA 0.042 4.381 4.340 -0.001 0.000 0.206 187 Q C 1.220 177.301 176.000 0.134 0.000 0.948 187 Q CA -0.024 55.865 55.803 0.143 0.000 0.946 187 Q CB 0.301 29.086 28.738 0.078 0.000 1.027 187 Q HN 0.107 nan 8.270 nan 0.000 0.513 188 R N 0.402 120.939 120.500 0.061 0.000 2.357 188 R HA 0.010 4.350 4.340 -0.001 0.000 0.202 188 R C 1.196 177.497 176.300 0.002 0.000 1.047 188 R CA 0.624 56.735 56.100 0.018 0.000 1.034 188 R CB 0.080 30.348 30.300 -0.054 0.000 0.875 188 R HN 0.362 nan 8.270 nan 0.000 0.473 189 L N -1.480 119.784 121.223 0.069 0.000 2.609 189 L HA 0.173 4.513 4.340 -0.001 0.000 0.230 189 L C 1.291 178.392 176.870 0.386 0.000 1.087 189 L CA 0.395 55.270 54.840 0.057 0.000 0.874 189 L CB -0.133 41.772 42.059 -0.257 0.000 1.114 189 L HN 0.283 nan 8.230 nan 0.000 0.488 190 G N 2.367 111.398 108.800 0.385 0.000 2.550 190 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.277 190 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.277 190 G C 0.231 175.371 174.900 0.400 0.000 1.190 190 G CA 0.458 45.759 45.100 0.336 0.000 0.971 190 G HN 0.498 nan 8.290 nan 0.000 0.559 191 D N -0.258 120.317 120.400 0.292 0.000 2.336 191 D HA 0.117 4.757 4.640 -0.001 0.000 0.229 191 D C 1.517 177.955 176.300 0.230 0.000 1.061 191 D CA 1.029 55.165 54.000 0.227 0.000 0.875 191 D CB -0.347 40.530 40.800 0.129 0.000 0.904 191 D HN 0.594 nan 8.370 nan 0.000 0.525 192 W N 0.613 121.997 121.300 0.139 0.000 2.358 192 W HA -0.102 4.558 4.660 0.000 0.000 0.303 192 W C 1.087 177.590 176.519 -0.027 0.000 1.208 192 W CA 1.043 58.423 57.345 0.058 0.000 1.274 192 W CB -0.476 29.069 29.460 0.141 0.000 1.138 192 W HN 0.001 nan 8.180 nan 0.000 0.515 193 W N 0.267 121.661 121.300 0.156 0.000 2.359 193 W HA -0.214 4.445 4.660 -0.001 0.000 0.275 193 W C 2.098 178.511 176.519 -0.176 0.000 1.217 193 W CA 1.470 58.777 57.345 -0.063 0.000 1.196 193 W CB -0.631 28.879 29.460 0.085 0.000 1.129 193 W HN -0.006 nan 8.180 nan 0.000 0.566 194 Q N -0.907 118.931 119.800 0.063 0.000 2.352 194 Q HA 0.024 4.363 4.340 -0.001 0.000 0.212 194 Q C 0.582 176.516 176.000 -0.111 0.000 0.888 194 Q CA 0.327 56.123 55.803 -0.011 0.000 0.934 194 Q CB 0.085 28.843 28.738 0.034 0.000 1.093 194 Q HN 0.009 nan 8.270 nan 0.000 0.523 195 D N -0.099 120.176 120.400 -0.209 0.000 2.433 195 D HA 0.001 4.641 4.640 -0.001 0.000 0.255 195 D C 0.169 176.290 176.300 -0.298 0.000 1.226 195 D CA 0.021 53.885 54.000 -0.226 0.000 1.015 195 D CB 0.890 41.554 40.800 -0.226 0.000 1.091 195 D HN 0.069 nan 8.370 nan 0.000 0.527 196 D N -0.952 119.307 120.400 -0.234 0.000 2.500 196 D HA 0.051 4.691 4.640 -0.001 0.000 0.217 196 D C -0.150 176.022 176.300 -0.212 0.000 1.159 196 D CA -0.200 53.660 54.000 -0.234 0.000 0.828 196 D CB 0.164 40.864 40.800 -0.166 0.000 1.039 196 D HN -0.003 nan 8.370 nan 0.000 0.512 197 K N 1.295 121.584 120.400 -0.184 0.000 2.098 197 K HA 0.417 4.736 4.320 -0.001 0.000 0.257 197 K C -2.438 174.124 176.600 -0.063 0.000 0.999 197 K CA -1.941 54.277 56.287 -0.116 0.000 0.924 197 K CB 0.478 32.941 32.500 -0.062 0.000 1.028 197 K HN 0.014 nan 8.250 nan 0.000 0.466 198 P HA -0.033 nan 4.420 nan 0.000 0.270 198 P C 0.716 178.253 177.300 0.394 0.000 1.223 198 P CA -0.222 62.972 63.100 0.157 0.000 0.785 198 P CB 0.525 32.206 31.700 -0.033 0.000 0.923 199 W N 2.671 124.162 121.300 0.317 0.000 2.348 199 W HA -0.083 4.576 4.660 -0.001 0.000 0.324 199 W C -0.011 176.489 176.519 -0.032 0.000 1.209 199 W CA 1.022 58.354 57.345 -0.021 0.000 1.275 199 W CB -0.488 28.678 29.460 -0.490 0.000 1.175 199 W HN 0.122 nan 8.180 nan 0.000 0.461 200 L N 3.019 124.362 121.223 0.201 0.000 2.265 200 L HA 0.277 4.617 4.340 -0.001 0.000 0.288 200 L C 0.020 176.932 176.870 0.071 0.000 1.058 200 L CA -0.130 54.750 54.840 0.066 0.000 0.809 200 L CB 0.872 43.007 42.059 0.126 0.000 1.179 200 L HN -0.071 nan 8.230 nan 0.000 0.429 201 R N 4.861 125.368 120.500 0.011 0.000 2.287 201 R HA 0.263 4.603 4.340 -0.001 0.000 0.327 201 R C -0.607 175.714 176.300 0.035 0.000 1.109 201 R CA -0.205 55.909 56.100 0.022 0.000 1.013 201 R CB 0.480 30.771 30.300 -0.014 0.000 1.126 201 R HN 0.584 nan 8.270 nan 0.000 0.503 202 E N 2.026 122.268 120.200 0.070 0.000 2.145 202 E HA 0.421 4.771 4.350 -0.001 0.000 0.262 202 E C -0.958 175.682 176.600 0.066 0.000 0.883 202 E CA -0.472 55.969 56.400 0.069 0.000 0.748 202 E CB 1.369 31.129 29.700 0.100 0.000 1.140 202 E HN 0.666 nan 8.360 nan 0.000 0.417 203 A N 5.255 128.107 122.820 0.053 0.000 3.165 203 A HA 0.301 4.621 4.320 -0.001 0.000 0.212 203 A C -2.499 175.114 177.584 0.048 0.000 0.935 203 A CA -0.832 51.237 52.037 0.052 0.000 1.100 203 A CB 0.073 19.099 19.000 0.044 0.000 1.260 203 A HN 0.486 nan 8.150 nan 0.000 0.532 204 P HA 0.322 nan 4.420 nan 0.000 0.271 204 P C -0.318 177.022 177.300 0.066 0.000 1.216 204 P CA 0.026 63.157 63.100 0.052 0.000 0.776 204 P CB 0.515 32.246 31.700 0.052 0.000 0.881 205 R N 1.321 121.857 120.500 0.061 0.000 2.441 205 R HA 0.402 4.742 4.340 -0.001 0.000 0.284 205 R C -0.211 176.139 176.300 0.084 0.000 1.070 205 R CA -0.846 55.303 56.100 0.082 0.000 1.047 205 R CB 0.409 30.747 30.300 0.063 0.000 1.016 205 R HN 0.377 nan 8.270 nan 0.000 0.477 206 L N 2.053 123.351 121.223 0.124 0.000 2.287 206 L HA 0.348 4.687 4.340 -0.001 0.000 0.287 206 L C -0.598 176.307 176.870 0.059 0.000 1.022 206 L CA 0.302 55.164 54.840 0.038 0.000 0.814 206 L CB 1.092 43.085 42.059 -0.110 0.000 1.217 206 L HN 0.653 nan 8.230 nan 0.000 0.420 207 E N 2.616 122.836 120.200 0.033 0.000 2.372 207 E HA 0.424 4.774 4.350 -0.001 0.000 0.279 207 E C -1.376 175.244 176.600 0.034 0.000 0.946 207 E CA -0.633 55.797 56.400 0.050 0.000 0.769 207 E CB 1.986 31.728 29.700 0.071 0.000 1.230 207 E HN 0.608 nan 8.360 nan 0.000 0.442 208 S N 1.620 117.349 115.700 0.048 0.000 2.586 208 S HA 0.173 4.642 4.470 -0.001 0.000 0.274 208 S C -0.495 174.153 174.600 0.079 0.000 1.281 208 S CA -0.517 57.710 58.200 0.044 0.000 1.035 208 S CB 0.975 64.193 63.200 0.031 0.000 0.962 208 S HN 0.376 nan 8.310 nan 0.000 0.512 209 E N 1.686 121.921 120.200 0.058 0.000 2.392 209 E HA 0.022 4.372 4.350 -0.001 0.000 0.264 209 E C -0.031 176.633 176.600 0.106 0.000 1.024 209 E CA -0.199 56.238 56.400 0.062 0.000 0.903 209 E CB 0.412 30.135 29.700 0.039 0.000 0.963 209 E HN 0.398 nan 8.360 nan 0.000 0.432 210 K N 3.144 123.587 120.400 0.072 0.000 2.434 210 K HA -0.203 4.117 4.320 -0.001 0.000 0.266 210 K C -0.349 176.342 176.600 0.152 0.000 1.096 210 K CA 0.299 56.599 56.287 0.021 0.000 1.182 210 K CB 0.347 32.778 32.500 -0.116 0.000 0.813 210 K HN 0.294 nan 8.250 nan 0.000 0.490 211 Q N 4.397 124.452 119.800 0.426 0.000 2.263 211 Q HA -0.032 4.308 4.340 -0.001 0.000 0.270 211 Q C 0.635 176.863 176.000 0.380 0.000 1.104 211 Q CA 0.494 56.513 55.803 0.359 0.000 0.909 211 Q CB 0.901 29.870 28.738 0.385 0.000 1.214 211 Q HN 0.575 nan 8.270 nan 0.000 0.400 212 R N 1.702 122.362 120.500 0.266 0.000 2.285 212 R HA -0.116 4.223 4.340 -0.001 0.000 0.213 212 R C 0.158 176.647 176.300 0.315 0.000 1.068 212 R CA 1.156 57.385 56.100 0.216 0.000 1.004 212 R CB 0.476 30.854 30.300 0.131 0.000 0.873 212 R HN 0.569 nan 8.270 nan 0.000 0.467 213 D N -1.578 119.121 120.400 0.499 0.000 2.538 213 D HA -0.098 4.542 4.640 -0.001 0.000 0.231 213 D C 1.108 177.944 176.300 0.894 0.000 1.229 213 D CA -0.451 53.898 54.000 0.582 0.000 0.828 213 D CB -0.877 40.244 40.800 0.535 0.000 1.035 213 D HN 0.250 nan 8.370 nan 0.000 0.495 214 W N 0.365 122.092 121.300 0.711 0.000 2.363 214 W HA -0.185 4.475 4.660 -0.001 0.000 0.296 214 W C 0.267 177.186 176.519 0.667 0.000 1.212 214 W CA 0.474 58.290 57.345 0.785 0.000 1.260 214 W CB -0.143 29.765 29.460 0.747 0.000 1.131 214 W HN -0.116 nan 8.180 nan 0.000 0.530 215 F N 0.089 120.094 119.950 0.091 0.000 2.234 215 F HA -0.117 4.409 4.527 -0.001 0.000 0.299 215 F C 2.254 177.991 175.800 -0.106 0.000 1.087 215 F CA 1.236 59.142 58.000 -0.156 0.000 1.340 215 F CB -1.595 37.398 39.000 -0.011 0.000 1.031 215 F HN -0.137 nan 8.300 nan 0.000 0.500 216 F N -1.149 118.850 119.950 0.082 0.000 2.113 216 F HA -0.199 4.328 4.527 -0.001 0.000 0.297 216 F C 1.906 177.551 175.800 -0.258 0.000 1.103 216 F CA 1.640 59.566 58.000 -0.124 0.000 1.248 216 F CB -0.647 38.255 39.000 -0.163 0.000 0.999 216 F HN -0.076 nan 8.300 nan 0.000 0.475 217 W N 1.403 122.727 121.300 0.041 0.000 2.518 217 W HA 0.016 4.676 4.660 -0.001 0.000 0.273 217 W C 2.539 178.906 176.519 -0.254 0.000 1.247 217 W CA 1.039 58.343 57.345 -0.070 0.000 1.288 217 W CB -0.255 29.305 29.460 0.168 0.000 1.107 217 W HN -0.022 nan 8.180 nan 0.000 0.586 218 R N 0.573 120.784 120.500 -0.483 0.000 2.285 218 R HA -0.079 4.261 4.340 -0.001 0.000 0.213 218 R C 1.235 177.376 176.300 -0.265 0.000 1.068 218 R CA 1.284 56.952 56.100 -0.720 0.000 1.004 218 R CB -0.541 28.788 30.300 -1.618 0.000 0.873 218 R HN 0.262 nan 8.270 nan 0.000 0.467 219 Q N 0.556 120.187 119.800 -0.281 0.000 2.424 219 Q HA 0.114 4.454 4.340 -0.001 0.000 0.204 219 Q C -0.081 175.809 176.000 -0.182 0.000 0.933 219 Q CA 0.412 56.073 55.803 -0.237 0.000 0.929 219 Q CB 0.480 29.014 28.738 -0.340 0.000 1.037 219 Q HN 0.221 nan 8.270 nan 0.000 0.511 220 K N 1.055 121.348 120.400 -0.178 0.000 2.090 220 K HA 0.264 4.583 4.320 -0.001 0.000 0.250 220 K C -0.201 176.205 176.600 -0.323 0.000 1.004 220 K CA -0.483 55.646 56.287 -0.264 0.000 0.919 220 K CB 0.697 33.043 32.500 -0.255 0.000 1.045 220 K HN -0.007 nan 8.250 nan 0.000 0.471 221 R N 0.847 121.012 120.500 -0.560 0.000 2.413 221 R HA 0.101 4.440 4.340 -0.001 0.000 0.333 221 R C 0.323 176.085 176.300 -0.896 0.000 1.074 221 R CA 0.018 55.490 56.100 -1.046 0.000 0.982 221 R CB -0.038 29.376 30.300 -1.476 0.000 0.981 221 R HN 0.663 nan 8.270 nan 0.000 0.452 222 G N 1.119 109.217 108.800 -1.169 0.000 2.498 222 G HA2 0.548 4.508 3.960 -0.001 0.000 0.312 222 G HA3 0.548 4.508 3.960 -0.001 0.000 0.312 222 G C -1.151 173.222 174.900 -0.879 0.000 1.230 222 G CA -0.431 43.661 45.100 -1.681 0.000 0.968 222 G HN 0.283 nan 8.290 nan 0.000 0.481 223 V N 0.413 120.153 119.914 -0.291 0.000 2.604 223 V HA 0.496 4.616 4.120 -0.001 0.000 0.305 223 V C -0.297 175.983 176.094 0.310 0.000 1.043 223 V CA -0.722 61.651 62.300 0.122 0.000 0.888 223 V CB 1.818 33.754 31.823 0.189 0.000 0.995 223 V HN 0.575 nan 8.190 nan 0.000 0.429 224 V N 4.991 125.126 119.914 0.369 0.000 2.370 224 V HA 0.468 4.587 4.120 -0.001 0.000 0.283 224 V C -0.147 176.085 176.094 0.230 0.000 1.023 224 V CA -0.583 61.942 62.300 0.375 0.000 0.857 224 V CB 1.560 33.657 31.823 0.458 0.000 0.985 224 V HN 0.587 nan 8.190 nan 0.000 0.443 225 V N 4.264 124.291 119.914 0.189 0.000 2.384 225 V HA 0.765 4.884 4.120 -0.001 0.000 0.287 225 V C 0.364 176.524 176.094 0.109 0.000 1.020 225 V CA -0.365 62.025 62.300 0.150 0.000 0.850 225 V CB 1.676 33.613 31.823 0.190 0.000 0.987 225 V HN 0.986 nan 8.190 nan 0.000 0.436 226 A N 4.039 126.911 122.820 0.086 0.000 2.293 226 A HA 0.839 5.159 4.320 -0.001 0.000 0.312 226 A C 0.431 178.031 177.584 0.027 0.000 1.309 226 A CA 0.140 52.208 52.037 0.051 0.000 0.839 226 A CB 1.032 20.069 19.000 0.061 0.000 1.155 226 A HN 0.920 nan 8.150 nan 0.000 0.501 227 G N 0.758 109.564 108.800 0.010 0.000 3.227 227 G HA2 0.396 4.356 3.960 -0.001 0.000 0.171 227 G HA3 0.396 4.356 3.960 -0.001 0.000 0.171 227 G C 0.134 175.021 174.900 -0.021 0.000 1.463 227 G CA -0.687 44.413 45.100 -0.000 0.000 1.016 227 G HN 0.757 nan 8.290 nan 0.000 0.594 228 R N 0.893 121.377 120.500 -0.027 0.000 2.370 228 R HA 0.415 4.755 4.340 -0.001 0.000 0.309 228 R C -0.030 176.242 176.300 -0.047 0.000 1.059 228 R CA 0.356 56.432 56.100 -0.040 0.000 0.981 228 R CB -0.090 30.191 30.300 -0.032 0.000 0.972 228 R HN 0.599 nan 8.270 nan 0.000 0.437 229 M N 0.599 120.163 119.600 -0.060 0.000 3.008 229 M HA 0.322 4.802 4.480 -0.001 0.000 0.271 229 M C -0.875 175.377 176.300 -0.080 0.000 1.265 229 M CA -1.041 54.221 55.300 -0.062 0.000 0.817 229 M CB 1.604 34.169 32.600 -0.060 0.000 1.638 229 M HN 0.430 nan 8.290 nan 0.000 0.479 230 S N 0.807 116.466 115.700 -0.067 0.000 2.565 230 S HA 0.590 5.060 4.470 -0.001 0.000 0.276 230 S C 1.140 175.693 174.600 -0.078 0.000 1.326 230 S CA -0.044 58.111 58.200 -0.076 0.000 1.045 230 S CB 1.329 64.504 63.200 -0.041 0.000 0.918 230 S HN 1.130 nan 8.310 nan 0.000 0.505 231 A N 2.736 125.496 122.820 -0.101 0.000 1.916 231 A HA -0.270 4.050 4.320 -0.001 0.000 0.224 231 A C 2.170 179.728 177.584 -0.044 0.000 1.366 231 A CA 2.294 54.284 52.037 -0.078 0.000 0.692 231 A CB -1.276 17.669 19.000 -0.092 0.000 0.841 231 A HN 0.902 nan 8.150 nan 0.000 0.480 232 E N -0.434 119.744 120.200 -0.036 0.000 2.150 232 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 232 E C 1.988 178.578 176.600 -0.017 0.000 0.985 232 E CA 1.407 57.795 56.400 -0.021 0.000 0.814 232 E CB -0.371 29.319 29.700 -0.017 0.000 0.752 232 E HN 0.856 nan 8.360 nan 0.000 0.466 233 E N -0.241 119.943 120.200 -0.027 0.000 2.072 233 E HA -0.076 4.273 4.350 -0.001 0.000 0.190 233 E C 2.150 178.738 176.600 -0.020 0.000 0.982 233 E CA 0.897 57.279 56.400 -0.030 0.000 0.803 233 E CB -0.266 29.407 29.700 -0.045 0.000 0.755 233 E HN 0.251 nan 8.360 nan 0.000 0.453 234 G N 1.557 110.345 108.800 -0.019 0.000 2.462 234 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.220 234 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.220 234 G C 1.499 176.409 174.900 0.017 0.000 1.121 234 G CA 0.608 45.707 45.100 -0.002 0.000 0.758 234 G HN 0.096 nan 8.290 nan 0.000 0.559 235 K N 0.014 120.422 120.400 0.012 0.000 2.076 235 K HA 0.050 4.369 4.320 -0.001 0.000 0.204 235 K C 2.466 179.091 176.600 0.040 0.000 1.051 235 K CA 0.819 57.120 56.287 0.023 0.000 0.949 235 K CB -0.042 32.466 32.500 0.014 0.000 0.726 235 K HN 0.155 nan 8.250 nan 0.000 0.443 236 K N 0.224 120.644 120.400 0.033 0.000 2.288 236 K HA -0.045 4.274 4.320 -0.001 0.000 0.201 236 K C 1.685 178.343 176.600 0.096 0.000 1.048 236 K CA 0.680 56.998 56.287 0.051 0.000 0.956 236 K CB 0.309 32.819 32.500 0.017 0.000 0.746 236 K HN -0.059 nan 8.250 nan 0.000 0.461 237 V N 0.288 120.252 119.914 0.082 0.000 3.174 237 V HA -0.009 4.111 4.120 -0.001 0.000 0.254 237 V C 1.997 178.223 176.094 0.220 0.000 1.120 237 V CA 1.229 63.617 62.300 0.147 0.000 1.114 237 V CB 0.241 32.100 31.823 0.060 0.000 0.756 237 V HN 0.262 nan 8.190 nan 0.000 0.467 238 A N 0.089 122.990 122.820 0.134 0.000 1.877 238 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 238 A C 2.200 179.853 177.584 0.115 0.000 1.186 238 A CA 1.675 53.777 52.037 0.108 0.000 0.620 238 A CB -0.482 18.555 19.000 0.062 0.000 0.822 238 A HN 0.441 nan 8.150 nan 0.000 0.443 239 L N -2.541 118.755 121.223 0.121 0.000 2.056 239 L HA -0.182 4.158 4.340 -0.001 0.000 0.207 239 L C 2.517 179.475 176.870 0.146 0.000 1.078 239 L CA 1.582 56.485 54.840 0.106 0.000 0.749 239 L CB -0.392 41.726 42.059 0.098 0.000 0.901 239 L HN 0.787 nan 8.230 nan 0.000 0.433 240 W N 0.663 121.966 121.300 0.005 0.000 2.355 240 W HA -0.252 4.408 4.660 -0.001 0.000 0.309 240 W C 2.485 178.983 176.519 -0.036 0.000 1.206 240 W CA 2.019 59.365 57.345 0.001 0.000 1.284 240 W CB -0.195 29.288 29.460 0.038 0.000 1.145 240 W HN 0.115 nan 8.180 nan 0.000 0.502 241 A N -0.086 122.813 122.820 0.131 0.000 1.902 241 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 241 A C 2.001 179.519 177.584 -0.109 0.000 1.181 241 A CA 1.945 53.949 52.037 -0.056 0.000 0.623 241 A CB -1.159 17.940 19.000 0.166 0.000 0.818 241 A HN 0.571 nan 8.150 nan 0.000 0.443 242 Q N -0.633 119.142 119.800 -0.041 0.000 1.967 242 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 242 Q C 2.099 178.035 176.000 -0.107 0.000 0.985 242 Q CA 2.550 58.320 55.803 -0.054 0.000 0.839 242 Q CB -0.507 28.216 28.738 -0.025 0.000 0.906 242 Q HN 0.568 nan 8.270 nan 0.000 0.423 243 T N 2.001 116.484 114.554 -0.119 0.000 2.594 243 T HA -0.259 4.091 4.350 -0.001 0.000 0.266 243 T C 1.846 176.398 174.700 -0.247 0.000 1.070 243 T CA 1.989 63.995 62.100 -0.158 0.000 1.166 243 T CB -0.574 68.202 68.868 -0.153 0.000 0.862 243 T HN 0.280 nan 8.240 nan 0.000 0.436 244 L N 0.447 121.408 121.223 -0.436 0.000 2.079 244 L HA 0.004 4.344 4.340 -0.001 0.000 0.210 244 L C 2.026 178.709 176.870 -0.311 0.000 1.081 244 L CA 1.212 55.667 54.840 -0.642 0.000 0.752 244 L CB -0.806 40.448 42.059 -1.341 0.000 0.896 244 L HN 0.643 nan 8.230 nan 0.000 0.433 245 G N -2.108 106.606 108.800 -0.144 0.000 2.165 245 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.226 245 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.226 245 G C -0.510 174.550 174.900 0.268 0.000 1.035 245 G CA -0.530 44.598 45.100 0.047 0.000 0.744 245 G HN 0.117 nan 8.290 nan 0.000 0.501 246 W N 0.689 121.918 121.300 -0.118 0.000 2.469 246 W HA 0.575 5.235 4.660 -0.000 0.000 0.320 246 W C -1.664 174.740 176.519 -0.192 0.000 1.086 246 W CA -3.230 54.044 57.345 -0.119 0.000 1.211 246 W CB 0.625 30.083 29.460 -0.003 0.000 1.298 246 W HN 0.041 nan 8.180 nan 0.000 0.525 247 P HA 0.006 nan 4.420 nan 0.000 0.265 247 P C -0.638 176.668 177.300 0.011 0.000 1.193 247 P CA -0.117 62.885 63.100 -0.163 0.000 0.765 247 P CB 1.064 32.572 31.700 -0.321 0.000 0.823 248 L N 5.239 126.479 121.223 0.029 0.000 2.262 248 L HA 0.362 4.701 4.340 -0.001 0.000 0.288 248 L C -0.202 176.735 176.870 0.113 0.000 1.035 248 L CA -0.476 54.421 54.840 0.095 0.000 0.820 248 L CB -0.052 42.065 42.059 0.096 0.000 1.204 248 L HN 0.242 nan 8.230 nan 0.000 0.424 249 I N 5.662 126.301 120.570 0.114 0.000 2.269 249 I HA 0.313 4.482 4.170 -0.001 0.000 0.293 249 I C 0.782 176.942 176.117 0.071 0.000 1.106 249 I CA -0.139 61.217 61.300 0.093 0.000 1.248 249 I CB 0.604 38.605 38.000 0.002 0.000 1.444 249 I HN 0.772 nan 8.210 nan 0.000 0.497 250 G N 4.101 112.941 108.800 0.067 0.000 2.347 250 G HA2 0.250 4.209 3.960 -0.001 0.000 0.314 250 G HA3 0.250 4.209 3.960 -0.001 0.000 0.314 250 G C -0.582 174.328 174.900 0.016 0.000 1.126 250 G CA -0.387 44.740 45.100 0.045 0.000 0.929 250 G HN 0.510 nan 8.290 nan 0.000 0.441 251 D N 1.082 121.485 120.400 0.005 0.000 2.362 251 D HA 0.082 4.721 4.640 -0.001 0.000 0.238 251 D C 1.970 178.258 176.300 -0.020 0.000 1.212 251 D CA -0.112 53.880 54.000 -0.014 0.000 0.902 251 D CB 1.360 42.152 40.800 -0.012 0.000 1.180 251 D HN 0.166 nan 8.370 nan 0.000 0.445 252 V N 0.804 120.699 119.914 -0.031 0.000 2.568 252 V HA -0.172 3.948 4.120 -0.001 0.000 0.253 252 V C 1.794 177.861 176.094 -0.044 0.000 1.072 252 V CA 1.013 63.291 62.300 -0.036 0.000 1.084 252 V CB -0.744 31.052 31.823 -0.045 0.000 0.676 252 V HN 0.461 nan 8.190 nan 0.000 0.469 253 L N 1.453 122.646 121.223 -0.050 0.000 2.627 253 L HA 0.168 4.507 4.340 -0.001 0.000 0.233 253 L C 2.241 179.071 176.870 -0.067 0.000 1.144 253 L CA 1.482 56.282 54.840 -0.067 0.000 0.892 253 L CB -0.723 41.298 42.059 -0.062 0.000 1.039 253 L HN 0.685 nan 8.230 nan 0.000 0.442 254 S N -1.946 113.727 115.700 -0.044 0.000 2.506 254 S HA 0.042 4.511 4.470 -0.001 0.000 0.219 254 S C 0.845 175.427 174.600 -0.030 0.000 1.031 254 S CA -0.015 58.164 58.200 -0.035 0.000 0.911 254 S CB 0.150 63.343 63.200 -0.012 0.000 0.812 254 S HN 0.371 nan 8.310 nan 0.000 0.497 255 Q N 0.869 120.656 119.800 -0.023 0.000 2.502 255 Q HA -0.143 4.197 4.340 -0.001 0.000 0.273 255 Q C 0.817 176.820 176.000 0.004 0.000 1.127 255 Q CA 1.090 56.888 55.803 -0.009 0.000 0.952 255 Q CB -2.797 25.922 28.738 -0.033 0.000 1.333 255 Q HN 0.865 nan 8.270 nan 0.000 0.494 256 T N -5.135 109.425 114.554 0.010 0.000 3.081 256 T HA 0.362 4.711 4.350 -0.001 0.000 0.255 256 T C 1.632 176.344 174.700 0.020 0.000 1.113 256 T CA 0.769 62.882 62.100 0.023 0.000 1.082 256 T CB 0.622 69.511 68.868 0.036 0.000 0.939 256 T HN 1.029 nan 8.240 nan 0.000 0.506 257 G N 1.542 110.349 108.800 0.011 0.000 2.225 257 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.254 257 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.254 257 G C 0.131 175.034 174.900 0.004 0.000 0.988 257 G CA -0.062 45.039 45.100 0.002 0.000 0.625 257 G HN 0.735 nan 8.290 nan 0.000 0.527 258 Q N -1.147 118.664 119.800 0.018 0.000 2.430 258 Q HA -0.178 4.161 4.340 -0.001 0.000 0.365 258 Q C -1.558 174.460 176.000 0.030 0.000 1.399 258 Q CA 0.611 56.434 55.803 0.033 0.000 1.050 258 Q CB -0.657 28.100 28.738 0.031 0.000 1.201 258 Q HN 0.518 nan 8.270 nan 0.000 0.320 259 P HA -0.099 nan 4.420 nan 0.000 0.234 259 P C 0.203 177.493 177.300 -0.017 0.000 1.167 259 P CA 1.103 64.201 63.100 -0.004 0.000 0.763 259 P CB 0.368 32.061 31.700 -0.012 0.000 0.835 260 L N 1.370 122.614 121.223 0.034 0.000 2.679 260 L HA 0.338 4.677 4.340 -0.001 0.000 0.238 260 L C -2.222 174.805 176.870 0.263 0.000 1.330 260 L CA -2.073 52.798 54.840 0.051 0.000 0.935 260 L CB 0.897 42.968 42.059 0.019 0.000 1.243 260 L HN -0.159 nan 8.230 nan 0.000 0.484 261 P HA -0.045 nan 4.420 nan 0.000 0.269 261 P C 0.424 177.901 177.300 0.294 0.000 1.217 261 P CA 0.188 63.391 63.100 0.172 0.000 0.783 261 P CB 0.939 32.692 31.700 0.088 0.000 0.898 262 C N -0.080 119.314 119.300 0.156 0.000 4.497 262 C HA -0.112 4.348 4.460 -0.001 0.000 0.292 262 C C 2.156 177.067 174.990 -0.133 0.000 1.366 262 C CA 0.250 59.316 59.018 0.081 0.000 1.987 262 C CB -3.176 24.642 27.740 0.130 0.000 1.241 262 C HN 0.757 nan 8.230 nan 0.000 0.788 263 A N 0.259 122.897 122.820 -0.303 0.000 1.986 263 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 263 A C 1.735 178.822 177.584 -0.829 0.000 1.171 263 A CA 2.629 54.004 52.037 -1.103 0.000 0.640 263 A CB -0.418 18.154 19.000 -0.713 0.000 0.811 263 A HN 0.758 nan 8.150 nan 0.000 0.451 264 D N -0.788 119.367 120.400 -0.408 0.000 2.264 264 D HA -0.044 4.596 4.640 -0.001 0.000 0.208 264 D C 1.757 177.914 176.300 -0.237 0.000 0.966 264 D CA 0.875 54.709 54.000 -0.277 0.000 0.864 264 D CB -0.052 40.652 40.800 -0.160 0.000 0.933 264 D HN 0.516 nan 8.370 nan 0.000 0.499 265 L N -0.126 120.963 121.223 -0.223 0.000 2.056 265 L HA 0.049 4.389 4.340 -0.001 0.000 0.202 265 L C 2.589 179.395 176.870 -0.107 0.000 1.086 265 L CA 0.638 55.405 54.840 -0.121 0.000 0.758 265 L CB -1.187 40.853 42.059 -0.030 0.000 0.912 265 L HN 0.304 nan 8.230 nan 0.000 0.446 266 W N 0.694 121.951 121.300 -0.071 0.000 2.364 266 W HA -0.152 4.507 4.660 -0.001 0.000 0.281 266 W C 1.740 178.208 176.519 -0.085 0.000 1.219 266 W CA 0.464 57.761 57.345 -0.079 0.000 1.220 266 W CB -1.099 28.308 29.460 -0.089 0.000 1.127 266 W HN 0.157 nan 8.180 nan 0.000 0.556 267 L N 1.648 122.602 121.223 -0.449 0.000 2.450 267 L HA -0.009 4.331 4.340 -0.001 0.000 0.224 267 L C 2.562 179.371 176.870 -0.102 0.000 1.149 267 L CA 1.418 56.040 54.840 -0.364 0.000 0.816 267 L CB -0.896 40.806 42.059 -0.596 0.000 0.932 267 L HN 0.130 nan 8.230 nan 0.000 0.449 268 G N -1.414 107.343 108.800 -0.072 0.000 3.141 268 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.218 268 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.218 268 G C 0.435 175.344 174.900 0.015 0.000 1.170 268 G CA -0.295 44.793 45.100 -0.021 0.000 0.769 268 G HN 0.161 nan 8.290 nan 0.000 0.546 269 N N 0.909 119.640 118.700 0.052 0.000 2.434 269 N HA 0.341 5.080 4.740 -0.001 0.000 0.272 269 N C 1.365 176.925 175.510 0.084 0.000 1.040 269 N CA 0.154 53.247 53.050 0.071 0.000 0.956 269 N CB 1.763 40.308 38.487 0.097 0.000 1.108 269 N HN -0.048 nan 8.380 nan 0.000 0.481 270 A N 4.294 127.160 122.820 0.077 0.000 2.019 270 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 270 A C 1.988 179.620 177.584 0.081 0.000 1.164 270 A CA 1.311 53.397 52.037 0.081 0.000 0.644 270 A CB -0.107 18.936 19.000 0.073 0.000 0.805 270 A HN 0.733 nan 8.150 nan 0.000 0.449 271 K N 0.070 120.512 120.400 0.070 0.000 2.032 271 K HA -0.056 4.264 4.320 -0.001 0.000 0.209 271 K C 2.164 178.803 176.600 0.064 0.000 1.048 271 K CA 1.581 57.901 56.287 0.056 0.000 0.927 271 K CB -0.430 32.092 32.500 0.036 0.000 0.712 271 K HN 0.442 nan 8.250 nan 0.000 0.441 272 A N 0.061 122.935 122.820 0.090 0.000 1.897 272 A HA -0.119 4.201 4.320 -0.001 0.000 0.215 272 A C 2.179 179.834 177.584 0.117 0.000 1.181 272 A CA 1.969 54.073 52.037 0.112 0.000 0.620 272 A CB -1.051 18.106 19.000 0.262 0.000 0.821 272 A HN 0.466 nan 8.150 nan 0.000 0.443 273 T N -2.372 112.262 114.554 0.133 0.000 2.777 273 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 273 T C 2.053 176.869 174.700 0.194 0.000 1.040 273 T CA 1.468 63.682 62.100 0.190 0.000 1.141 273 T CB -0.668 68.330 68.868 0.217 0.000 0.868 273 T HN 0.244 nan 8.240 nan 0.000 0.444 274 S N 1.475 117.259 115.700 0.140 0.000 2.401 274 S HA -0.278 4.192 4.470 -0.001 0.000 0.236 274 S C 2.105 176.794 174.600 0.148 0.000 1.058 274 S CA 2.122 60.395 58.200 0.123 0.000 1.151 274 S CB -0.536 62.718 63.200 0.089 0.000 1.049 274 S HN 0.775 nan 8.310 nan 0.000 0.432 275 E N 0.156 120.442 120.200 0.144 0.000 2.106 275 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 275 E C 2.038 178.823 176.600 0.307 0.000 0.984 275 E CA 0.688 57.204 56.400 0.192 0.000 0.806 275 E CB -0.141 29.622 29.700 0.103 0.000 0.750 275 E HN 0.446 nan 8.360 nan 0.000 0.458 276 L N 0.557 121.937 121.223 0.261 0.000 2.265 276 L HA -0.168 4.172 4.340 -0.001 0.000 0.215 276 L C 2.210 179.324 176.870 0.408 0.000 1.117 276 L CA 0.911 55.974 54.840 0.372 0.000 0.782 276 L CB -0.138 42.104 42.059 0.304 0.000 0.914 276 L HN 0.223 nan 8.230 nan 0.000 0.441 277 Q N -0.692 119.284 119.800 0.293 0.000 2.515 277 Q HA -0.150 4.190 4.340 -0.001 0.000 0.212 277 Q C 1.815 177.879 176.000 0.107 0.000 0.970 277 Q CA 0.593 56.515 55.803 0.198 0.000 0.941 277 Q CB 0.182 29.009 28.738 0.148 0.000 0.998 277 Q HN 0.561 nan 8.270 nan 0.000 0.518 278 Q N -0.518 119.342 119.800 0.100 0.000 2.398 278 Q HA 0.145 4.484 4.340 -0.001 0.000 0.204 278 Q C 0.137 175.966 176.000 -0.285 0.000 0.932 278 Q CA 0.017 55.769 55.803 -0.086 0.000 0.916 278 Q CB 0.439 29.122 28.738 -0.090 0.000 1.024 278 Q HN 0.202 nan 8.270 nan 0.000 0.504 279 A N 0.826 123.548 122.820 -0.163 0.000 2.477 279 A HA 0.014 4.334 4.320 -0.001 0.000 0.246 279 A C 0.587 178.075 177.584 -0.159 0.000 1.078 279 A CA -0.065 51.833 52.037 -0.231 0.000 0.770 279 A CB 0.607 19.649 19.000 0.070 0.000 1.011 279 A HN 0.241 nan 8.150 nan 0.000 0.494 280 Q N 1.232 120.903 119.800 -0.214 0.000 2.134 280 Q HA 0.278 4.618 4.340 -0.001 0.000 0.195 280 Q C 0.500 176.498 176.000 -0.003 0.000 0.958 280 Q CA 0.816 56.591 55.803 -0.047 0.000 0.840 280 Q CB 0.300 29.036 28.738 -0.004 0.000 0.918 280 Q HN 0.815 nan 8.270 nan 0.000 0.467 281 I N 0.311 120.806 120.570 -0.125 0.000 2.740 281 I HA 0.395 4.565 4.170 -0.001 0.000 0.303 281 I C -1.498 174.437 176.117 -0.302 0.000 1.044 281 I CA -1.102 60.039 61.300 -0.265 0.000 1.064 281 I CB 1.933 39.746 38.000 -0.312 0.000 1.249 281 I HN -0.234 nan 8.210 nan 0.000 0.433 282 V N 7.087 126.788 119.914 -0.355 0.000 2.483 282 V HA 0.358 4.477 4.120 -0.001 0.000 0.297 282 V C -0.544 175.328 176.094 -0.370 0.000 1.027 282 V CA -0.600 61.493 62.300 -0.345 0.000 0.855 282 V CB 1.741 33.253 31.823 -0.519 0.000 0.995 282 V HN 0.453 nan 8.190 nan 0.000 0.424 283 V N 5.172 125.065 119.914 -0.036 0.000 2.293 283 V HA 0.396 4.515 4.120 -0.001 0.000 0.275 283 V C 0.017 176.148 176.094 0.062 0.000 1.021 283 V CA -0.378 61.984 62.300 0.103 0.000 0.815 283 V CB 1.234 33.338 31.823 0.468 0.000 1.025 283 V HN 0.934 nan 8.190 nan 0.000 0.448 284 Q N 4.875 124.637 119.800 -0.064 0.000 2.271 284 Q HA 0.678 5.017 4.340 -0.001 0.000 0.258 284 Q C -1.648 174.304 176.000 -0.081 0.000 0.936 284 Q CA -0.668 55.128 55.803 -0.012 0.000 0.909 284 Q CB 1.571 30.353 28.738 0.074 0.000 1.253 284 Q HN 0.704 nan 8.270 nan 0.000 0.440 285 L N 3.855 125.030 121.223 -0.079 0.000 2.349 285 L HA 0.734 5.073 4.340 -0.001 0.000 0.278 285 L C 0.260 177.075 176.870 -0.091 0.000 0.996 285 L CA -0.157 54.587 54.840 -0.161 0.000 0.825 285 L CB 1.832 43.758 42.059 -0.221 0.000 1.243 285 L HN 0.940 nan 8.230 nan 0.000 0.412 286 G N 2.360 111.101 108.800 -0.098 0.000 2.795 286 G HA2 0.088 4.047 3.960 -0.001 0.000 0.664 286 G HA3 0.088 4.047 3.960 -0.001 0.000 0.664 286 G C -0.458 174.426 174.900 -0.027 0.000 1.381 286 G CA -0.269 44.797 45.100 -0.058 0.000 0.853 286 G HN 0.962 nan 8.290 nan 0.000 0.545 287 S N -2.298 113.392 115.700 -0.016 0.000 2.903 287 S HA 0.858 5.328 4.470 -0.001 0.000 0.314 287 S C 0.390 174.989 174.600 -0.003 0.000 1.177 287 S CA 0.566 58.766 58.200 -0.000 0.000 0.859 287 S CB 1.374 64.572 63.200 -0.003 0.000 1.265 287 S HN 2.523 nan 8.310 nan 0.000 0.584 288 S N 0.767 116.466 115.700 -0.001 0.000 3.978 288 S HA -0.065 4.405 4.470 -0.001 0.000 0.402 288 S C -0.395 174.201 174.600 -0.007 0.000 0.927 288 S CA -0.171 58.026 58.200 -0.007 0.000 1.197 288 S CB -1.667 61.526 63.200 -0.011 0.000 0.855 288 S HN 0.653 nan 8.310 nan 0.000 0.524 289 L N 2.008 123.234 121.223 0.004 0.000 2.477 289 L HA 0.158 4.498 4.340 -0.001 0.000 0.272 289 L C 2.028 178.893 176.870 -0.009 0.000 1.157 289 L CA 0.833 55.677 54.840 0.007 0.000 0.889 289 L CB -0.687 41.393 42.059 0.035 0.000 1.158 289 L HN 0.478 nan 8.230 nan 0.000 0.473 290 T N 2.597 117.138 114.554 -0.022 0.000 2.545 290 T HA -0.097 4.252 4.350 -0.001 0.000 0.261 290 T C 1.096 175.775 174.700 -0.035 0.000 1.097 290 T CA 1.086 63.165 62.100 -0.034 0.000 1.189 290 T CB -0.359 68.483 68.868 -0.044 0.000 0.863 290 T HN 0.803 nan 8.240 nan 0.000 0.405 291 G N 0.857 109.630 108.800 -0.044 0.000 2.353 291 G HA2 0.095 4.055 3.960 -0.001 0.000 0.239 291 G HA3 0.095 4.055 3.960 -0.001 0.000 0.239 291 G C 0.686 175.561 174.900 -0.042 0.000 1.295 291 G CA -0.269 44.797 45.100 -0.057 0.000 0.884 291 G HN 0.391 nan 8.290 nan 0.000 0.537 292 K N 1.238 121.612 120.400 -0.043 0.000 2.032 292 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 292 K C 2.656 179.247 176.600 -0.015 0.000 1.048 292 K CA 1.137 57.408 56.287 -0.026 0.000 0.927 292 K CB -0.033 32.450 32.500 -0.028 0.000 0.712 292 K HN 0.336 nan 8.250 nan 0.000 0.441 293 R N 0.611 121.087 120.500 -0.041 0.000 2.096 293 R HA -0.104 4.236 4.340 -0.001 0.000 0.235 293 R C 2.074 178.389 176.300 0.026 0.000 1.127 293 R CA 0.866 56.947 56.100 -0.033 0.000 0.968 293 R CB -0.612 29.621 30.300 -0.113 0.000 0.861 293 R HN 0.237 nan 8.270 nan 0.000 0.440 294 L N -0.042 121.181 121.223 0.001 0.000 2.044 294 L HA 0.013 4.353 4.340 -0.001 0.000 0.205 294 L C 1.636 178.613 176.870 0.179 0.000 1.075 294 L CA 1.630 56.530 54.840 0.101 0.000 0.747 294 L CB -0.567 41.496 42.059 0.007 0.000 0.903 294 L HN 0.143 nan 8.230 nan 0.000 0.435 295 L N -0.662 120.610 121.223 0.082 0.000 2.187 295 L HA -0.215 4.124 4.340 -0.001 0.000 0.213 295 L C 2.628 179.525 176.870 0.046 0.000 1.100 295 L CA 1.385 56.257 54.840 0.054 0.000 0.765 295 L CB -0.507 41.560 42.059 0.013 0.000 0.904 295 L HN 0.448 nan 8.230 nan 0.000 0.437 296 Q N -1.257 118.584 119.800 0.068 0.000 2.123 296 Q HA -0.202 4.137 4.340 -0.001 0.000 0.196 296 Q C 2.025 178.079 176.000 0.090 0.000 0.958 296 Q CA 1.402 57.239 55.803 0.057 0.000 0.841 296 Q CB -0.170 28.602 28.738 0.056 0.000 0.915 296 Q HN 0.548 nan 8.270 nan 0.000 0.455 297 W N 0.841 122.139 121.300 -0.003 0.000 2.402 297 W HA -0.154 4.506 4.660 -0.001 0.000 0.286 297 W C 2.073 178.635 176.519 0.072 0.000 1.221 297 W CA 1.253 58.613 57.345 0.025 0.000 1.257 297 W CB 0.073 29.533 29.460 0.001 0.000 1.120 297 W HN 0.128 nan 8.180 nan 0.000 0.551 298 Q N 0.705 120.480 119.800 -0.041 0.000 2.123 298 Q HA -0.089 4.251 4.340 -0.001 0.000 0.199 298 Q C 2.053 177.967 176.000 -0.142 0.000 0.966 298 Q CA 1.891 57.588 55.803 -0.176 0.000 0.845 298 Q CB -0.600 28.190 28.738 0.088 0.000 0.907 298 Q HN 0.330 nan 8.270 nan 0.000 0.439 299 A N 0.299 123.054 122.820 -0.109 0.000 2.169 299 A HA -0.016 4.303 4.320 -0.001 0.000 0.212 299 A C 1.925 179.415 177.584 -0.155 0.000 1.153 299 A CA 1.283 53.235 52.037 -0.141 0.000 0.756 299 A CB -0.123 18.806 19.000 -0.118 0.000 0.813 299 A HN 0.481 nan 8.150 nan 0.000 0.471 300 S N -1.266 114.342 115.700 -0.152 0.000 2.526 300 S HA 0.051 4.521 4.470 -0.001 0.000 0.220 300 S C 0.899 175.416 174.600 -0.138 0.000 1.017 300 S CA 0.222 58.349 58.200 -0.121 0.000 0.930 300 S CB -1.534 61.625 63.200 -0.067 0.000 0.856 300 S HN 0.884 nan 8.310 nan 0.000 0.497 301 C N 1.635 120.752 119.300 -0.305 0.000 2.703 301 C HA 0.578 5.038 4.460 -0.001 0.000 0.411 301 C C 0.445 175.428 174.990 -0.013 0.000 1.290 301 C CA -0.421 58.394 59.018 -0.339 0.000 2.054 301 C CB -0.500 26.714 27.740 -0.878 0.000 2.732 301 C HN 0.592 nan 8.230 nan 0.000 0.650 302 E N 2.381 122.582 120.200 0.002 0.000 3.935 302 E HA 0.356 4.705 4.350 -0.001 0.000 0.226 302 E C -2.141 174.497 176.600 0.063 0.000 1.220 302 E CA -0.894 55.553 56.400 0.078 0.000 1.226 302 E CB 0.619 30.351 29.700 0.054 0.000 1.237 302 E HN 0.768 nan 8.360 nan 0.000 0.417 303 P HA 0.189 nan 4.420 nan 0.000 0.278 303 P C 0.258 177.601 177.300 0.071 0.000 1.266 303 P CA -0.285 62.832 63.100 0.029 0.000 0.807 303 P CB 1.233 32.909 31.700 -0.040 0.000 1.094 304 E N -0.290 119.963 120.200 0.088 0.000 2.150 304 E HA -0.076 4.273 4.350 -0.001 0.000 0.193 304 E C 0.035 176.688 176.600 0.089 0.000 0.985 304 E CA 1.042 57.527 56.400 0.142 0.000 0.814 304 E CB 0.170 30.041 29.700 0.286 0.000 0.752 304 E HN 0.536 nan 8.360 nan 0.000 0.466 305 E N -0.328 119.848 120.200 -0.040 0.000 2.290 305 E HA 0.233 4.582 4.350 -0.001 0.000 0.274 305 E C -1.734 174.836 176.600 -0.050 0.000 0.889 305 E CA -0.529 55.830 56.400 -0.067 0.000 0.760 305 E CB 1.792 31.281 29.700 -0.352 0.000 1.206 305 E HN -0.013 nan 8.360 nan 0.000 0.419 306 Y N 2.245 122.573 120.300 0.048 0.000 2.328 306 Y HA 0.391 4.940 4.550 -0.001 0.000 0.336 306 Y C -1.439 174.634 175.900 0.288 0.000 0.960 306 Y CA -0.698 57.415 58.100 0.021 0.000 1.134 306 Y CB 0.875 39.258 38.460 -0.128 0.000 1.166 306 Y HN 0.471 nan 8.280 nan 0.000 0.464 307 W N 7.364 128.574 121.300 -0.150 0.000 2.587 307 W HA 0.617 5.276 4.660 -0.001 0.000 0.324 307 W C -1.207 175.255 176.519 -0.094 0.000 1.040 307 W CA -1.557 55.740 57.345 -0.080 0.000 1.222 307 W CB 1.313 30.708 29.460 -0.108 0.000 1.381 307 W HN 0.324 nan 8.180 nan 0.000 0.483 308 I N 4.346 124.982 120.570 0.110 0.000 2.410 308 I HA 0.305 4.474 4.170 -0.001 0.000 0.286 308 I C -0.592 175.408 176.117 -0.195 0.000 1.009 308 I CA -1.082 60.214 61.300 -0.007 0.000 1.111 308 I CB 1.273 39.321 38.000 0.079 0.000 1.262 308 I HN -0.115 nan 8.210 nan 0.000 0.443 309 V N 4.961 124.672 119.914 -0.338 0.000 2.370 309 V HA 0.598 4.717 4.120 -0.001 0.000 0.283 309 V C -0.393 175.511 176.094 -0.317 0.000 1.023 309 V CA -0.321 61.663 62.300 -0.526 0.000 0.857 309 V CB 1.597 32.812 31.823 -1.014 0.000 0.985 309 V HN 0.695 nan 8.190 nan 0.000 0.443 310 D N 2.230 122.497 120.400 -0.221 0.000 2.694 310 D HA 0.167 4.806 4.640 -0.001 0.000 0.260 310 D C -0.558 175.707 176.300 -0.059 0.000 1.250 310 D CA -0.364 53.563 54.000 -0.121 0.000 0.763 310 D CB 2.802 43.553 40.800 -0.081 0.000 1.311 310 D HN 0.459 nan 8.370 nan 0.000 0.420 311 D N 0.696 121.090 120.400 -0.009 0.000 2.339 311 D HA 0.150 4.790 4.640 -0.001 0.000 0.217 311 D C 0.556 176.961 176.300 0.175 0.000 1.050 311 D CA 0.024 54.071 54.000 0.079 0.000 0.856 311 D CB 0.070 40.898 40.800 0.048 0.000 0.922 311 D HN 0.474 nan 8.370 nan 0.000 0.518 312 I N -1.741 118.874 120.570 0.075 0.000 2.498 312 I HA 0.424 4.594 4.170 -0.001 0.000 0.301 312 I C 0.135 176.260 176.117 0.013 0.000 0.984 312 I CA -0.859 60.490 61.300 0.081 0.000 1.204 312 I CB 1.620 39.645 38.000 0.042 0.000 1.362 312 I HN -0.297 nan 8.210 nan 0.000 0.471 313 E N 3.159 123.350 120.200 -0.016 0.000 2.342 313 E HA 0.571 4.920 4.350 -0.001 0.000 0.257 313 E C 0.258 176.828 176.600 -0.049 0.000 1.150 313 E CA 0.004 56.358 56.400 -0.078 0.000 0.926 313 E CB 0.661 30.287 29.700 -0.124 0.000 1.074 313 E HN 1.130 nan 8.360 nan 0.000 0.449 314 G N 0.644 109.412 108.800 -0.053 0.000 2.787 314 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.685 314 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.685 314 G C -0.713 174.172 174.900 -0.025 0.000 1.437 314 G CA -0.779 44.300 45.100 -0.035 0.000 0.872 314 G HN 0.472 nan 8.290 nan 0.000 0.566 315 R N -0.550 119.942 120.500 -0.013 0.000 2.585 315 R HA 0.291 4.630 4.340 -0.001 0.000 0.275 315 R C 0.909 177.201 176.300 -0.013 0.000 1.018 315 R CA 0.449 56.546 56.100 -0.005 0.000 1.072 315 R CB 0.254 30.566 30.300 0.019 0.000 0.953 315 R HN 0.459 nan 8.270 nan 0.000 0.419 316 L N 0.795 122.006 121.223 -0.019 0.000 3.217 316 L HA 0.144 4.483 4.340 -0.001 0.000 0.288 316 L C -0.145 176.696 176.870 -0.048 0.000 1.202 316 L CA -0.123 54.703 54.840 -0.024 0.000 1.027 316 L CB 0.607 42.658 42.059 -0.013 0.000 1.427 316 L HN 0.532 nan 8.230 nan 0.000 0.600 317 D N 1.740 122.091 120.400 -0.082 0.000 2.443 317 D HA 0.189 4.828 4.640 -0.001 0.000 0.221 317 D C -1.426 174.693 176.300 -0.303 0.000 1.097 317 D CA -2.123 51.764 54.000 -0.188 0.000 0.865 317 D CB 1.539 42.206 40.800 -0.221 0.000 1.034 317 D HN -0.078 nan 8.370 nan 0.000 0.511 318 P HA -0.038 nan 4.420 nan 0.000 0.226 318 P C 0.638 177.467 177.300 -0.786 0.000 1.153 318 P CA 0.409 63.265 63.100 -0.408 0.000 0.777 318 P CB 0.375 31.950 31.700 -0.209 0.000 0.794 319 A N -0.742 121.653 122.820 -0.707 0.000 2.308 319 A HA 0.066 4.385 4.320 -0.001 0.000 0.217 319 A C 0.430 177.587 177.584 -0.711 0.000 1.216 319 A CA -0.182 51.433 52.037 -0.704 0.000 0.864 319 A CB -1.003 17.674 19.000 -0.538 0.000 0.902 319 A HN 0.259 nan 8.150 nan 0.000 0.499 320 H N -0.453 118.466 119.070 -0.252 0.000 2.770 320 H HA -0.183 4.373 4.556 -0.001 0.000 0.309 320 H C -0.582 174.635 175.328 -0.185 0.000 1.206 320 H CA 0.966 56.910 56.048 -0.174 0.000 1.147 320 H CB -2.651 27.033 29.762 -0.130 0.000 1.422 320 H HN 0.788 nan 8.280 nan 0.000 0.420 321 H N 0.673 119.665 119.070 -0.130 0.000 2.972 321 H HA 0.102 4.658 4.556 -0.001 0.000 0.343 321 H C 1.308 176.651 175.328 0.024 0.000 1.054 321 H CA 0.270 56.273 56.048 -0.074 0.000 1.412 321 H CB 0.575 30.248 29.762 -0.148 0.000 1.385 321 H HN 0.316 nan 8.280 nan 0.000 0.600 322 R N 2.011 122.617 120.500 0.177 0.000 2.585 322 R HA 0.227 4.567 4.340 -0.001 0.000 0.275 322 R C 0.343 176.758 176.300 0.193 0.000 1.018 322 R CA 1.045 57.234 56.100 0.149 0.000 1.072 322 R CB -0.151 30.227 30.300 0.130 0.000 0.953 322 R HN 0.942 nan 8.270 nan 0.000 0.419 323 G N 2.919 111.816 108.800 0.162 0.000 2.347 323 G HA2 0.038 3.998 3.960 -0.001 0.000 0.224 323 G HA3 0.038 3.998 3.960 -0.001 0.000 0.224 323 G C -1.528 173.427 174.900 0.092 0.000 1.318 323 G CA -0.901 44.316 45.100 0.195 0.000 1.016 323 G HN 0.585 nan 8.290 nan 0.000 0.469 324 R N -0.543 119.977 120.500 0.034 0.000 2.750 324 R HA 0.751 5.091 4.340 -0.001 0.000 0.281 324 R C -0.856 175.374 176.300 -0.117 0.000 0.972 324 R CA -1.003 54.999 56.100 -0.164 0.000 0.912 324 R CB 2.326 32.308 30.300 -0.531 0.000 1.187 324 R HN 0.436 nan 8.270 nan 0.000 0.464 325 R N 2.798 123.230 120.500 -0.113 0.000 2.275 325 R HA 0.351 4.691 4.340 -0.001 0.000 0.326 325 R C -1.405 174.814 176.300 -0.134 0.000 0.973 325 R CA -0.290 55.753 56.100 -0.095 0.000 0.854 325 R CB 0.457 30.726 30.300 -0.052 0.000 1.156 325 R HN 0.579 nan 8.270 nan 0.000 0.487 326 L N 6.197 127.312 121.223 -0.180 0.000 2.295 326 L HA 0.490 4.830 4.340 -0.001 0.000 0.281 326 L C -0.454 176.321 176.870 -0.158 0.000 1.018 326 L CA -1.023 53.704 54.840 -0.189 0.000 0.841 326 L CB 1.319 43.197 42.059 -0.303 0.000 1.218 326 L HN 0.496 nan 8.230 nan 0.000 0.424 327 I N 3.767 124.287 120.570 -0.083 0.000 2.337 327 I HA 0.594 4.764 4.170 -0.001 0.000 0.291 327 I C 0.359 176.483 176.117 0.011 0.000 1.046 327 I CA 0.473 61.742 61.300 -0.051 0.000 1.324 327 I CB 1.153 39.106 38.000 -0.079 0.000 1.409 327 I HN 0.712 nan 8.210 nan 0.000 0.494 328 A N 5.359 128.192 122.820 0.022 0.000 2.586 328 A HA 0.305 4.625 4.320 -0.001 0.000 0.296 328 A C -0.702 176.905 177.584 0.038 0.000 1.040 328 A CA -0.911 51.169 52.037 0.072 0.000 0.701 328 A CB 0.718 19.812 19.000 0.156 0.000 1.277 328 A HN 0.561 nan 8.150 nan 0.000 0.413 329 N N 2.014 120.746 118.700 0.054 0.000 2.417 329 N HA 0.008 4.748 4.740 -0.001 0.000 0.272 329 N C 1.210 176.740 175.510 0.032 0.000 1.304 329 N CA 0.337 53.402 53.050 0.025 0.000 0.906 329 N CB 0.104 38.605 38.487 0.024 0.000 1.135 329 N HN 0.586 nan 8.380 nan 0.000 0.483 330 I N 3.745 124.301 120.570 -0.024 0.000 2.147 330 I HA -0.404 3.765 4.170 -0.001 0.000 0.245 330 I C 2.231 178.342 176.117 -0.010 0.000 1.059 330 I CA 2.056 63.324 61.300 -0.054 0.000 1.320 330 I CB -0.297 37.638 38.000 -0.109 0.000 1.021 330 I HN 0.674 nan 8.210 nan 0.000 0.415 331 A N -0.032 122.781 122.820 -0.012 0.000 1.933 331 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 331 A C 1.940 179.534 177.584 0.018 0.000 1.175 331 A CA 2.042 54.073 52.037 -0.010 0.000 0.628 331 A CB -0.544 18.451 19.000 -0.009 0.000 0.814 331 A HN 0.395 nan 8.150 nan 0.000 0.444 332 D N -1.438 118.989 120.400 0.045 0.000 2.097 332 D HA -0.162 4.478 4.640 -0.001 0.000 0.197 332 D C 1.556 177.909 176.300 0.089 0.000 0.984 332 D CA 1.008 55.042 54.000 0.056 0.000 0.826 332 D CB -0.506 40.331 40.800 0.063 0.000 0.973 332 D HN 0.686 nan 8.370 nan 0.000 0.460 333 W N 1.764 123.032 121.300 -0.053 0.000 2.302 333 W HA -0.209 4.451 4.660 -0.001 0.000 0.320 333 W C 2.239 178.725 176.519 -0.054 0.000 1.241 333 W CA 1.488 58.814 57.345 -0.031 0.000 1.264 333 W CB -0.486 28.871 29.460 -0.171 0.000 1.154 333 W HN -0.065 nan 8.180 nan 0.000 0.483 334 L N -0.163 121.090 121.223 0.050 0.000 2.043 334 L HA -0.272 4.068 4.340 -0.001 0.000 0.212 334 L C 2.359 179.187 176.870 -0.071 0.000 1.075 334 L CA 1.928 56.652 54.840 -0.193 0.000 0.752 334 L CB -0.997 40.892 42.059 -0.282 0.000 0.891 334 L HN 0.068 nan 8.230 nan 0.000 0.432 335 E N -0.304 119.878 120.200 -0.030 0.000 2.072 335 E HA -0.224 4.126 4.350 -0.001 0.000 0.191 335 E C 2.148 178.716 176.600 -0.054 0.000 0.985 335 E CA 0.833 57.231 56.400 -0.003 0.000 0.801 335 E CB -0.062 29.640 29.700 0.003 0.000 0.750 335 E HN 0.200 nan 8.360 nan 0.000 0.452 336 L N 0.462 121.595 121.223 -0.150 0.000 2.131 336 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 336 L C 0.439 176.909 176.870 -0.668 0.000 1.092 336 L CA 1.721 56.354 54.840 -0.344 0.000 0.759 336 L CB -0.353 41.482 42.059 -0.373 0.000 0.903 336 L HN 0.139 nan 8.230 nan 0.000 0.435 337 H N -1.056 117.668 119.070 -0.577 0.000 2.360 337 H HA 0.335 4.891 4.556 -0.001 0.000 0.233 337 H C -2.275 173.049 175.328 -0.006 0.000 1.473 337 H CA -2.607 53.002 56.048 -0.731 0.000 1.352 337 H CB -0.307 28.239 29.762 -2.026 0.000 1.493 337 H HN 0.113 nan 8.280 nan 0.000 0.533 338 P HA 0.246 nan 4.420 nan 0.000 0.274 338 P C -0.021 177.579 177.300 0.501 0.000 1.256 338 P CA -0.505 62.871 63.100 0.461 0.000 0.795 338 P CB 1.187 33.050 31.700 0.272 0.000 1.038 339 A N 0.531 123.488 122.820 0.228 0.000 2.264 339 A HA 0.573 4.893 4.320 -0.001 0.000 0.304 339 A C -0.192 177.285 177.584 -0.178 0.000 1.100 339 A CA -0.078 51.868 52.037 -0.152 0.000 0.839 339 A CB 0.086 18.834 19.000 -0.420 0.000 1.121 339 A HN 0.497 nan 8.150 nan 0.000 0.496 340 E N 0.232 120.245 120.200 -0.313 0.000 2.260 340 E HA 0.407 4.757 4.350 -0.001 0.000 0.266 340 E C -1.020 175.433 176.600 -0.246 0.000 0.887 340 E CA -0.689 55.547 56.400 -0.273 0.000 0.777 340 E CB 1.140 30.614 29.700 -0.376 0.000 1.205 340 E HN 0.445 nan 8.360 nan 0.000 0.414 341 K N 3.152 123.453 120.400 -0.166 0.000 2.437 341 K HA 0.046 4.366 4.320 -0.001 0.000 0.277 341 K C -0.570 175.960 176.600 -0.118 0.000 1.073 341 K CA 0.465 56.673 56.287 -0.130 0.000 1.105 341 K CB 0.219 32.667 32.500 -0.087 0.000 0.881 341 K HN 0.514 nan 8.250 nan 0.000 0.475 342 R N 3.569 124.007 120.500 -0.103 0.000 2.651 342 R HA 0.154 4.494 4.340 -0.001 0.000 0.278 342 R C -1.190 175.102 176.300 -0.013 0.000 1.010 342 R CA -0.905 55.161 56.100 -0.056 0.000 0.896 342 R CB 1.191 31.464 30.300 -0.045 0.000 1.211 342 R HN 0.623 nan 8.270 nan 0.000 0.456 343 Q N 3.739 123.543 119.800 0.006 0.000 2.286 343 Q HA 0.153 4.492 4.340 -0.001 0.000 0.290 343 Q C -2.156 173.888 176.000 0.073 0.000 1.049 343 Q CA -0.754 55.062 55.803 0.022 0.000 0.923 343 Q CB 0.796 29.544 28.738 0.018 0.000 1.183 343 Q HN 0.298 nan 8.270 nan 0.000 0.383 344 P HA -0.075 nan 4.420 nan 0.000 0.268 344 P C -0.157 177.193 177.300 0.084 0.000 1.204 344 P CA 0.154 63.275 63.100 0.034 0.000 0.768 344 P CB 0.227 31.894 31.700 -0.054 0.000 0.842 345 W N 1.708 123.003 121.300 -0.010 0.000 3.290 345 W HA 0.226 4.886 4.660 -0.001 0.000 0.287 345 W C -1.137 175.349 176.519 -0.055 0.000 1.288 345 W CA -0.256 57.064 57.345 -0.041 0.000 1.725 345 W CB -0.752 28.670 29.460 -0.063 0.000 1.103 345 W HN 0.039 nan 8.180 nan 0.000 0.670 346 C N 2.999 122.068 119.300 -0.385 0.000 2.265 346 C HA 0.280 4.739 4.460 -0.001 0.000 0.332 346 C C 1.923 176.782 174.990 -0.218 0.000 1.248 346 C CA -0.347 58.416 59.018 -0.426 0.000 1.727 346 C CB 0.752 28.088 27.740 -0.674 0.000 2.348 346 C HN 0.167 nan 8.230 nan 0.000 0.519 347 V N 3.390 123.226 119.914 -0.130 0.000 2.391 347 V HA -0.019 4.101 4.120 -0.001 0.000 0.237 347 V C 1.995 178.011 176.094 -0.129 0.000 1.046 347 V CA 1.298 63.541 62.300 -0.095 0.000 1.053 347 V CB -0.580 31.221 31.823 -0.037 0.000 0.704 347 V HN 0.826 nan 8.190 nan 0.000 0.475 348 E N -0.375 119.751 120.200 -0.123 0.000 2.435 348 E HA 0.097 4.447 4.350 -0.001 0.000 0.195 348 E C 2.022 178.498 176.600 -0.206 0.000 1.029 348 E CA 0.272 56.596 56.400 -0.126 0.000 0.865 348 E CB 0.132 29.788 29.700 -0.072 0.000 0.833 348 E HN 0.538 nan 8.360 nan 0.000 0.510 349 I N 1.196 121.588 120.570 -0.298 0.000 2.235 349 I HA -0.110 4.060 4.170 -0.001 0.000 0.241 349 I C -0.862 174.931 176.117 -0.540 0.000 1.085 349 I CA 0.671 61.677 61.300 -0.490 0.000 1.378 349 I CB -1.222 36.412 38.000 -0.610 0.000 1.076 349 I HN 0.027 nan 8.210 nan 0.000 0.415 350 P HA -0.197 nan 4.420 nan 0.000 0.218 350 P C 1.503 178.637 177.300 -0.277 0.000 1.146 350 P CA 1.583 64.478 63.100 -0.342 0.000 0.813 350 P CB -0.218 31.336 31.700 -0.243 0.000 0.778 351 R N -0.371 119.989 120.500 -0.234 0.000 2.052 351 R HA 0.009 4.349 4.340 -0.001 0.000 0.226 351 R C 2.446 178.642 176.300 -0.173 0.000 1.145 351 R CA 0.846 56.845 56.100 -0.167 0.000 0.952 351 R CB -0.921 29.306 30.300 -0.122 0.000 0.847 351 R HN 0.076 nan 8.270 nan 0.000 0.431 352 L N 0.705 121.810 121.223 -0.197 0.000 2.034 352 L HA -0.308 4.032 4.340 -0.001 0.000 0.217 352 L C 2.677 179.410 176.870 -0.228 0.000 1.077 352 L CA 1.708 56.444 54.840 -0.175 0.000 0.769 352 L CB -0.715 41.235 42.059 -0.181 0.000 0.890 352 L HN 0.407 nan 8.230 nan 0.000 0.435 353 A N 0.347 122.878 122.820 -0.480 0.000 1.841 353 A HA -0.316 4.003 4.320 -0.001 0.000 0.216 353 A C 2.167 179.660 177.584 -0.151 0.000 1.199 353 A CA 2.067 53.823 52.037 -0.469 0.000 0.621 353 A CB -0.796 17.843 19.000 -0.601 0.000 0.835 353 A HN 0.540 nan 8.150 nan 0.000 0.445 354 E N -0.081 120.026 120.200 -0.154 0.000 2.147 354 E HA -0.300 4.050 4.350 -0.001 0.000 0.199 354 E C 2.030 178.596 176.600 -0.055 0.000 1.005 354 E CA 2.048 58.395 56.400 -0.088 0.000 0.810 354 E CB -0.347 29.295 29.700 -0.096 0.000 0.736 354 E HN 0.756 nan 8.360 nan 0.000 0.460 355 Q N -0.233 119.532 119.800 -0.060 0.000 2.119 355 Q HA -0.102 4.238 4.340 -0.001 0.000 0.201 355 Q C 2.311 178.306 176.000 -0.009 0.000 0.972 355 Q CA 1.263 57.047 55.803 -0.032 0.000 0.847 355 Q CB -0.172 28.548 28.738 -0.030 0.000 0.903 355 Q HN 0.470 nan 8.270 nan 0.000 0.433 356 A N 0.955 123.786 122.820 0.018 0.000 1.855 356 A HA -0.215 4.104 4.320 -0.001 0.000 0.215 356 A C 2.055 179.651 177.584 0.020 0.000 1.191 356 A CA 1.501 53.568 52.037 0.051 0.000 0.613 356 A CB -0.532 18.562 19.000 0.157 0.000 0.829 356 A HN 0.299 nan 8.150 nan 0.000 0.442 357 M N 0.024 119.641 119.600 0.028 0.000 2.143 357 M HA -0.240 4.240 4.480 -0.001 0.000 0.258 357 M C 2.027 178.314 176.300 -0.022 0.000 1.071 357 M CA 1.822 57.130 55.300 0.013 0.000 1.088 357 M CB -0.907 31.707 32.600 0.024 0.000 1.360 357 M HN 0.571 nan 8.290 nan 0.000 0.404 358 Q N -1.393 118.393 119.800 -0.023 0.000 2.079 358 Q HA -0.066 4.273 4.340 -0.001 0.000 0.200 358 Q C 2.064 178.035 176.000 -0.047 0.000 0.974 358 Q CA 1.625 57.410 55.803 -0.031 0.000 0.840 358 Q CB -0.271 28.452 28.738 -0.025 0.000 0.898 358 Q HN 0.675 nan 8.270 nan 0.000 0.430 359 A N 0.006 122.799 122.820 -0.044 0.000 1.933 359 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 359 A C 2.236 179.766 177.584 -0.091 0.000 1.175 359 A CA 1.186 53.193 52.037 -0.049 0.000 0.628 359 A CB -0.551 18.430 19.000 -0.033 0.000 0.814 359 A HN 0.213 nan 8.150 nan 0.000 0.444 360 V N 0.272 120.103 119.914 -0.138 0.000 2.244 360 V HA -0.268 3.852 4.120 -0.001 0.000 0.244 360 V C 2.413 178.271 176.094 -0.393 0.000 1.042 360 V CA 2.031 64.166 62.300 -0.276 0.000 1.006 360 V CB -0.768 30.867 31.823 -0.314 0.000 0.641 360 V HN 0.585 nan 8.190 nan 0.000 0.446 361 I N 0.885 121.258 120.570 -0.328 0.000 2.113 361 I HA -0.359 3.810 4.170 -0.001 0.000 0.242 361 I C 2.659 178.723 176.117 -0.088 0.000 1.057 361 I CA 1.864 63.067 61.300 -0.161 0.000 1.314 361 I CB -0.751 37.240 38.000 -0.015 0.000 1.022 361 I HN 0.323 nan 8.210 nan 0.000 0.408 362 A N 0.653 123.432 122.820 -0.069 0.000 2.093 362 A HA -0.208 4.111 4.320 -0.001 0.000 0.222 362 A C 1.972 179.541 177.584 -0.025 0.000 1.162 362 A CA 1.679 53.695 52.037 -0.035 0.000 0.655 362 A CB -0.607 18.376 19.000 -0.029 0.000 0.805 362 A HN 0.522 nan 8.150 nan 0.000 0.461 363 R N -0.989 119.480 120.500 -0.052 0.000 2.633 363 R HA 0.141 4.480 4.340 -0.001 0.000 0.348 363 R C 1.203 177.511 176.300 0.012 0.000 1.100 363 R CA 0.260 56.352 56.100 -0.015 0.000 1.068 363 R CB 0.144 30.430 30.300 -0.024 0.000 1.351 363 R HN 0.708 nan 8.270 nan 0.000 0.575 364 R N -0.210 120.297 120.500 0.011 0.000 2.275 364 R HA 0.042 4.381 4.340 -0.001 0.000 0.199 364 R C 0.185 176.549 176.300 0.107 0.000 0.989 364 R CA 0.722 56.864 56.100 0.069 0.000 1.016 364 R CB 0.081 30.432 30.300 0.085 0.000 0.918 364 R HN -0.004 nan 8.270 nan 0.000 0.473 365 D N 2.088 122.574 120.400 0.143 0.000 2.194 365 D HA 0.019 4.659 4.640 -0.001 0.000 0.204 365 D C 0.497 177.103 176.300 0.509 0.000 0.964 365 D CA 1.003 55.156 54.000 0.255 0.000 0.846 365 D CB -0.050 40.853 40.800 0.172 0.000 0.962 365 D HN 0.370 nan 8.370 nan 0.000 0.490 366 A N 0.700 123.741 122.820 0.369 0.000 2.491 366 A HA 0.053 4.372 4.320 -0.001 0.000 0.261 366 A C -0.023 177.808 177.584 0.411 0.000 1.101 366 A CA -0.304 51.930 52.037 0.328 0.000 0.772 366 A CB -0.483 18.634 19.000 0.194 0.000 1.043 366 A HN 0.100 nan 8.150 nan 0.000 0.501 367 F N 3.577 123.582 119.950 0.093 0.000 2.532 367 F HA 0.306 4.832 4.527 -0.001 0.000 0.376 367 F C 1.117 176.825 175.800 -0.152 0.000 1.162 367 F CA 0.582 58.413 58.000 -0.282 0.000 1.382 367 F CB -0.535 38.160 39.000 -0.508 0.000 1.670 367 F HN 0.565 nan 8.300 nan 0.000 0.638 368 G N 0.792 109.533 108.800 -0.099 0.000 2.597 368 G HA2 0.271 4.231 3.960 -0.001 0.000 0.317 368 G HA3 0.271 4.231 3.960 -0.001 0.000 0.317 368 G C 0.461 175.319 174.900 -0.070 0.000 1.230 368 G CA -0.249 44.807 45.100 -0.073 0.000 0.996 368 G HN 0.444 nan 8.290 nan 0.000 0.490 369 E N -0.480 119.696 120.200 -0.041 0.000 2.107 369 E HA 0.014 4.363 4.350 -0.001 0.000 0.191 369 E C 2.271 178.899 176.600 0.046 0.000 0.982 369 E CA 1.092 57.482 56.400 -0.017 0.000 0.809 369 E CB -0.133 29.558 29.700 -0.014 0.000 0.756 369 E HN 0.376 nan 8.360 nan 0.000 0.459 370 A N 1.526 124.377 122.820 0.053 0.000 1.851 370 A HA -0.279 4.041 4.320 -0.001 0.000 0.216 370 A C 2.230 179.893 177.584 0.132 0.000 1.195 370 A CA 1.970 54.049 52.037 0.070 0.000 0.622 370 A CB -0.688 18.341 19.000 0.048 0.000 0.831 370 A HN 0.218 nan 8.150 nan 0.000 0.444 371 Q N -0.809 119.095 119.800 0.174 0.000 2.152 371 Q HA -0.173 4.167 4.340 -0.001 0.000 0.206 371 Q C 1.992 178.195 176.000 0.339 0.000 0.985 371 Q CA 1.597 57.570 55.803 0.283 0.000 0.863 371 Q CB -0.597 28.397 28.738 0.428 0.000 0.904 371 Q HN 0.643 nan 8.270 nan 0.000 0.422 372 L N -0.031 121.392 121.223 0.333 0.000 2.046 372 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 372 L C 1.955 178.946 176.870 0.202 0.000 1.077 372 L CA 2.128 57.172 54.840 0.339 0.000 0.747 372 L CB -0.992 41.178 42.059 0.185 0.000 0.896 372 L HN 0.161 nan 8.230 nan 0.000 0.432 373 A N -1.079 121.822 122.820 0.135 0.000 1.877 373 A HA -0.315 4.004 4.320 -0.001 0.000 0.216 373 A C 2.308 179.934 177.584 0.070 0.000 1.186 373 A CA 1.838 53.926 52.037 0.085 0.000 0.620 373 A CB -1.191 17.845 19.000 0.061 0.000 0.822 373 A HN 0.751 nan 8.150 nan 0.000 0.443 374 H N 0.676 119.749 119.070 0.004 0.000 2.319 374 H HA -0.103 4.452 4.556 -0.001 0.000 0.297 374 H C 1.709 176.980 175.328 -0.094 0.000 1.097 374 H CA 2.141 58.166 56.048 -0.039 0.000 1.285 374 H CB -0.034 29.707 29.762 -0.034 0.000 1.368 374 H HN 0.401 nan 8.280 nan 0.000 0.495 375 R N 0.237 120.539 120.500 -0.330 0.000 2.325 375 R HA 0.031 4.370 4.340 -0.001 0.000 0.214 375 R C 1.704 177.728 176.300 -0.461 0.000 0.961 375 R CA 0.363 56.156 56.100 -0.512 0.000 1.086 375 R CB -0.491 29.493 30.300 -0.527 0.000 1.037 375 R HN 0.347 nan 8.270 nan 0.000 0.493 376 I N 2.218 122.648 120.570 -0.234 0.000 2.315 376 I HA -0.305 3.865 4.170 -0.001 0.000 0.251 376 I C 1.904 177.859 176.117 -0.269 0.000 1.125 376 I CA 0.849 62.073 61.300 -0.127 0.000 1.392 376 I CB -0.249 37.731 38.000 -0.033 0.000 1.065 376 I HN 0.307 nan 8.210 nan 0.000 0.424 377 C N -0.843 118.249 119.300 -0.346 0.000 2.472 377 C HA 0.059 4.519 4.460 -0.001 0.000 0.278 377 C C 2.002 176.743 174.990 -0.415 0.000 1.447 377 C CA -0.070 58.726 59.018 -0.370 0.000 1.773 377 C CB -1.553 25.995 27.740 -0.321 0.000 1.793 377 C HN 0.409 nan 8.230 nan 0.000 0.544 378 D N 0.333 120.391 120.400 -0.570 0.000 2.317 378 D HA -0.024 4.615 4.640 -0.001 0.000 0.211 378 D C 1.140 177.160 176.300 -0.466 0.000 0.966 378 D CA 1.207 54.853 54.000 -0.589 0.000 0.876 378 D CB -0.202 40.106 40.800 -0.821 0.000 0.927 378 D HN 0.615 nan 8.370 nan 0.000 0.519 379 Y N -0.007 120.144 120.300 -0.248 0.000 2.481 379 Y HA 0.309 4.859 4.550 -0.001 0.000 0.247 379 Y C 0.749 176.436 175.900 -0.355 0.000 1.151 379 Y CA -0.759 57.086 58.100 -0.426 0.000 1.238 379 Y CB -0.236 37.890 38.460 -0.558 0.000 1.179 379 Y HN -0.185 nan 8.280 nan 0.000 0.524 380 L N 5.048 126.150 121.223 -0.201 0.000 2.534 380 L HA 0.082 4.421 4.340 -0.001 0.000 0.271 380 L C -1.857 174.872 176.870 -0.235 0.000 1.178 380 L CA -1.535 53.153 54.840 -0.253 0.000 0.907 380 L CB 0.086 41.753 42.059 -0.653 0.000 1.164 380 L HN -0.065 nan 8.230 nan 0.000 0.482 381 P HA -0.028 nan 4.420 nan 0.000 0.266 381 P C -0.350 176.805 177.300 -0.242 0.000 1.195 381 P CA -0.194 62.509 63.100 -0.661 0.000 0.768 381 P CB 0.636 31.722 31.700 -1.024 0.000 0.838 382 E N 2.852 122.890 120.200 -0.270 0.000 2.376 382 E HA -0.046 4.303 4.350 -0.001 0.000 0.266 382 E C 0.471 177.017 176.600 -0.089 0.000 1.009 382 E CA 0.325 56.660 56.400 -0.109 0.000 0.902 382 E CB 0.248 29.873 29.700 -0.125 0.000 0.972 382 E HN 0.321 nan 8.360 nan 0.000 0.439 383 Q N 0.047 119.825 119.800 -0.036 0.000 2.481 383 Q HA -0.200 4.139 4.340 -0.001 0.000 0.272 383 Q C 0.222 176.133 176.000 -0.149 0.000 1.157 383 Q CA 1.236 56.984 55.803 -0.092 0.000 0.935 383 Q CB -2.167 26.527 28.738 -0.074 0.000 1.338 383 Q HN 0.739 nan 8.270 nan 0.000 0.494 384 G N -0.364 108.331 108.800 -0.174 0.000 2.782 384 G HA2 0.586 4.545 3.960 -0.001 0.000 0.201 384 G HA3 0.586 4.545 3.960 -0.001 0.000 0.201 384 G C -0.598 174.080 174.900 -0.369 0.000 1.374 384 G CA -0.035 44.967 45.100 -0.162 0.000 1.039 384 G HN 0.112 nan 8.290 nan 0.000 0.576 385 Q N -1.428 118.328 119.800 -0.073 0.000 2.364 385 Q HA 0.456 4.795 4.340 -0.001 0.000 0.257 385 Q C -2.168 174.020 176.000 0.312 0.000 0.956 385 Q CA -0.663 55.178 55.803 0.063 0.000 0.924 385 Q CB 2.001 30.793 28.738 0.091 0.000 1.413 385 Q HN 0.499 nan 8.270 nan 0.000 0.418 386 L N 4.645 126.100 121.223 0.388 0.000 2.313 386 L HA 0.680 5.020 4.340 -0.001 0.000 0.283 386 L C -1.919 175.180 176.870 0.382 0.000 1.013 386 L CA -0.308 54.747 54.840 0.358 0.000 0.816 386 L CB 1.263 43.499 42.059 0.294 0.000 1.236 386 L HN 0.671 nan 8.230 nan 0.000 0.419 387 F N 6.143 126.215 119.950 0.204 0.000 2.427 387 F HA 0.626 5.152 4.527 -0.001 0.000 0.348 387 F C -1.113 174.751 175.800 0.108 0.000 1.125 387 F CA -0.650 57.450 58.000 0.167 0.000 0.989 387 F CB 1.540 40.609 39.000 0.115 0.000 1.165 387 F HN 0.344 nan 8.300 nan 0.000 0.442 388 V N 7.127 126.717 119.914 -0.539 0.000 2.459 388 V HA 0.832 4.951 4.120 -0.001 0.000 0.295 388 V C 0.242 176.023 176.094 -0.520 0.000 1.029 388 V CA -0.055 62.036 62.300 -0.348 0.000 0.874 388 V CB 1.115 32.834 31.823 -0.172 0.000 0.985 388 V HN 0.926 nan 8.190 nan 0.000 0.438 389 G N 4.682 113.326 108.800 -0.260 0.000 2.621 389 G HA2 0.252 4.212 3.960 -0.001 0.000 0.271 389 G HA3 0.252 4.212 3.960 -0.001 0.000 0.271 389 G C -0.008 174.808 174.900 -0.140 0.000 1.236 389 G CA -0.614 44.386 45.100 -0.167 0.000 0.958 389 G HN 0.750 nan 8.290 nan 0.000 0.512 390 N N -1.031 117.618 118.700 -0.085 0.000 2.431 390 N HA 0.381 5.120 4.740 -0.001 0.000 0.289 390 N C 0.976 176.445 175.510 -0.069 0.000 1.277 390 N CA 0.215 53.220 53.050 -0.075 0.000 0.972 390 N CB 0.914 39.366 38.487 -0.058 0.000 1.143 390 N HN 0.658 nan 8.380 nan 0.000 0.578 391 S N -1.099 114.554 115.700 -0.077 0.000 3.525 391 S HA -0.241 4.228 4.470 -0.001 0.000 0.629 391 S C 1.513 176.060 174.600 -0.089 0.000 2.621 391 S CA 0.902 59.040 58.200 -0.103 0.000 3.752 391 S CB -1.298 61.835 63.200 -0.111 0.000 0.260 391 S HN 0.488 nan 8.310 nan 0.000 1.214 392 L N 1.084 122.256 121.223 -0.085 0.000 2.131 392 L HA -0.060 4.279 4.340 -0.001 0.000 0.210 392 L C 2.532 179.375 176.870 -0.046 0.000 1.092 392 L CA 1.655 56.456 54.840 -0.065 0.000 0.759 392 L CB -0.552 41.475 42.059 -0.053 0.000 0.903 392 L HN 0.587 nan 8.230 nan 0.000 0.435 393 V N -0.532 119.357 119.914 -0.041 0.000 2.255 393 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 393 V C 2.383 178.452 176.094 -0.042 0.000 1.051 393 V CA 2.267 64.549 62.300 -0.031 0.000 1.018 393 V CB -0.045 31.762 31.823 -0.027 0.000 0.641 393 V HN 0.284 nan 8.190 nan 0.000 0.445 394 V N 0.471 120.348 119.914 -0.062 0.000 2.407 394 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 394 V C 2.723 178.783 176.094 -0.057 0.000 1.055 394 V CA 2.673 64.930 62.300 -0.071 0.000 1.049 394 V CB -0.681 31.088 31.823 -0.090 0.000 0.662 394 V HN 0.656 nan 8.190 nan 0.000 0.455 395 R N -0.794 119.674 120.500 -0.054 0.000 2.090 395 R HA 0.048 4.387 4.340 -0.001 0.000 0.228 395 R C 2.232 178.507 176.300 -0.041 0.000 1.110 395 R CA 1.514 57.583 56.100 -0.051 0.000 0.973 395 R CB -0.289 29.978 30.300 -0.055 0.000 0.869 395 R HN 0.462 nan 8.270 nan 0.000 0.440 396 L N 0.306 121.511 121.223 -0.030 0.000 2.007 396 L HA -0.144 4.196 4.340 -0.001 0.000 0.205 396 L C 2.352 179.219 176.870 -0.004 0.000 1.073 396 L CA 1.250 56.082 54.840 -0.013 0.000 0.744 396 L CB -0.505 41.554 42.059 -0.000 0.000 0.898 396 L HN 0.113 nan 8.230 nan 0.000 0.435 397 I N 0.448 121.016 120.570 -0.004 0.000 2.091 397 I HA -0.426 3.743 4.170 -0.001 0.000 0.240 397 I C 2.287 178.397 176.117 -0.012 0.000 1.046 397 I CA 2.037 63.335 61.300 -0.004 0.000 1.306 397 I CB -0.475 37.516 38.000 -0.016 0.000 1.018 397 I HN 0.391 nan 8.210 nan 0.000 0.404 398 D N 0.550 120.934 120.400 -0.027 0.000 2.170 398 D HA -0.254 4.386 4.640 -0.001 0.000 0.193 398 D C 1.978 178.254 176.300 -0.039 0.000 1.004 398 D CA 1.946 55.924 54.000 -0.036 0.000 0.860 398 D CB 0.022 40.794 40.800 -0.048 0.000 0.931 398 D HN 0.411 nan 8.370 nan 0.000 0.448 399 A N -0.864 121.934 122.820 -0.037 0.000 2.021 399 A HA 0.159 4.479 4.320 -0.001 0.000 0.216 399 A C 1.977 179.555 177.584 -0.010 0.000 1.163 399 A CA 0.490 52.501 52.037 -0.044 0.000 0.676 399 A CB 0.005 18.975 19.000 -0.049 0.000 0.818 399 A HN 0.368 nan 8.150 nan 0.000 0.453 400 L N -1.353 119.882 121.223 0.020 0.000 2.858 400 L HA 0.262 4.602 4.340 -0.001 0.000 0.251 400 L C 0.403 177.383 176.870 0.183 0.000 1.149 400 L CA 0.157 55.040 54.840 0.071 0.000 0.955 400 L CB 0.683 42.785 42.059 0.071 0.000 1.289 400 L HN 0.289 nan 8.230 nan 0.000 0.542 401 S N 0.113 115.868 115.700 0.091 0.000 2.536 401 S HA 0.335 4.804 4.470 -0.001 0.000 0.271 401 S C -1.236 173.359 174.600 -0.007 0.000 1.134 401 S CA -0.403 57.819 58.200 0.036 0.000 0.897 401 S CB 2.218 65.403 63.200 -0.024 0.000 1.094 401 S HN 0.191 nan 8.310 nan 0.000 0.473 402 Q N 4.541 124.313 119.800 -0.046 0.000 2.425 402 Q HA 0.460 4.800 4.340 -0.001 0.000 0.254 402 Q C -1.074 174.876 176.000 -0.083 0.000 1.032 402 Q CA -0.526 55.251 55.803 -0.044 0.000 0.798 402 Q CB 0.599 29.320 28.738 -0.028 0.000 1.210 402 Q HN 0.696 nan 8.270 nan 0.000 0.491 403 L N 4.987 126.166 121.223 -0.073 0.000 2.417 403 L HA 0.420 4.759 4.340 -0.001 0.000 0.268 403 L C -1.989 174.837 176.870 -0.072 0.000 1.158 403 L CA -2.072 52.709 54.840 -0.098 0.000 0.819 403 L CB 0.201 42.219 42.059 -0.068 0.000 1.112 403 L HN 0.485 nan 8.230 nan 0.000 0.458 404 P HA 0.100 nan 4.420 nan 0.000 0.271 404 P C -0.647 176.665 177.300 0.021 0.000 1.216 404 P CA -0.480 62.598 63.100 -0.037 0.000 0.776 404 P CB 0.657 32.330 31.700 -0.045 0.000 0.881 405 A N 2.954 125.783 122.820 0.015 0.000 2.561 405 A HA 0.371 4.691 4.320 -0.001 0.000 0.251 405 A C 1.564 179.171 177.584 0.039 0.000 1.062 405 A CA 0.830 52.881 52.037 0.023 0.000 0.761 405 A CB -1.651 17.358 19.000 0.015 0.000 0.986 405 A HN 0.931 nan 8.150 nan 0.000 0.510 406 G N 1.027 109.848 108.800 0.034 0.000 2.159 406 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.256 406 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.256 406 G C 0.091 175.005 174.900 0.023 0.000 0.977 406 G CA 0.537 45.646 45.100 0.016 0.000 0.652 406 G HN 1.224 nan 8.290 nan 0.000 0.531 407 Y N 2.516 122.783 120.300 -0.056 0.000 2.436 407 Y HA 0.477 5.027 4.550 -0.000 0.000 0.336 407 Y C -1.794 174.057 175.900 -0.080 0.000 1.049 407 Y CA -1.844 56.221 58.100 -0.058 0.000 1.294 407 Y CB 1.077 39.502 38.460 -0.059 0.000 1.179 407 Y HN 0.061 nan 8.280 nan 0.000 0.520 408 P HA 0.035 nan 4.420 nan 0.000 0.266 408 P C -1.094 176.072 177.300 -0.223 0.000 1.215 408 P CA 0.270 63.202 63.100 -0.280 0.000 0.763 408 P CB 0.776 32.346 31.700 -0.216 0.000 0.806 409 V N 5.527 125.224 119.914 -0.361 0.000 2.628 409 V HA 0.440 4.560 4.120 -0.001 0.000 0.306 409 V C -0.462 175.321 176.094 -0.517 0.000 1.045 409 V CA -0.372 61.798 62.300 -0.216 0.000 0.905 409 V CB 1.150 32.912 31.823 -0.102 0.000 0.997 409 V HN 0.411 nan 8.190 nan 0.000 0.436 410 Y N 1.687 122.029 120.300 0.070 0.000 2.602 410 Y HA 0.830 5.379 4.550 -0.001 0.000 0.342 410 Y C 0.387 176.234 175.900 -0.088 0.000 1.029 410 Y CA -0.491 57.672 58.100 0.106 0.000 1.080 410 Y CB 2.446 41.079 38.460 0.287 0.000 1.284 410 Y HN 0.746 nan 8.280 nan 0.000 0.485 411 S N -0.121 115.633 115.700 0.090 0.000 2.645 411 S HA 0.362 4.832 4.470 -0.001 0.000 0.268 411 S C -2.108 172.520 174.600 0.047 0.000 1.110 411 S CA -1.282 56.755 58.200 -0.271 0.000 0.823 411 S CB 0.986 64.023 63.200 -0.271 0.000 1.091 411 S HN 0.534 nan 8.310 nan 0.000 0.466 412 N N 1.021 119.731 118.700 0.017 0.000 3.044 412 N HA 0.339 5.078 4.740 -0.001 0.000 0.254 412 N C -0.107 175.411 175.510 0.013 0.000 1.253 412 N CA -0.506 52.594 53.050 0.084 0.000 0.944 412 N CB 0.694 39.276 38.487 0.159 0.000 1.217 412 N HN 0.376 nan 8.380 nan 0.000 0.498 413 R N -0.009 120.489 120.500 -0.003 0.000 2.359 413 R HA 0.185 4.525 4.340 -0.001 0.000 0.231 413 R C 1.643 177.940 176.300 -0.004 0.000 0.913 413 R CA -0.153 55.936 56.100 -0.018 0.000 1.075 413 R CB -0.135 30.144 30.300 -0.034 0.000 1.087 413 R HN 0.414 nan 8.270 nan 0.000 0.515 414 G N 0.707 109.512 108.800 0.009 0.000 2.556 414 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.215 414 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.215 414 G C 1.111 176.016 174.900 0.008 0.000 1.258 414 G CA 0.849 45.956 45.100 0.011 0.000 0.811 414 G HN 0.359 nan 8.290 nan 0.000 0.557 415 A N -0.721 122.105 122.820 0.010 0.000 2.308 415 A HA 0.491 4.811 4.320 -0.001 0.000 0.217 415 A C 1.507 179.091 177.584 -0.001 0.000 1.216 415 A CA 1.158 53.196 52.037 0.003 0.000 0.864 415 A CB -0.070 18.926 19.000 -0.006 0.000 0.902 415 A HN 0.821 nan 8.150 nan 0.000 0.499 416 S N -0.588 115.111 115.700 -0.002 0.000 3.521 416 S HA -0.169 4.300 4.470 -0.001 0.000 0.362 416 S C 0.851 175.438 174.600 -0.022 0.000 1.044 416 S CA 0.444 58.636 58.200 -0.014 0.000 1.091 416 S CB -1.955 61.234 63.200 -0.018 0.000 0.908 416 S HN 1.368 nan 8.310 nan 0.000 0.473 417 G N 0.888 109.673 108.800 -0.025 0.000 2.365 417 G HA2 0.408 4.367 3.960 -0.001 0.000 0.249 417 G HA3 0.408 4.367 3.960 -0.001 0.000 0.249 417 G C 0.779 175.604 174.900 -0.125 0.000 1.288 417 G CA -0.365 44.690 45.100 -0.075 0.000 0.887 417 G HN 0.825 nan 8.290 nan 0.000 0.524 418 I N 0.197 120.657 120.570 -0.183 0.000 3.684 418 I HA 0.138 4.308 4.170 -0.001 0.000 0.308 418 I C 0.760 176.538 176.117 -0.565 0.000 1.263 418 I CA -0.035 61.131 61.300 -0.224 0.000 1.174 418 I CB 0.055 38.011 38.000 -0.074 0.000 1.021 418 I HN 0.425 nan 8.210 nan 0.000 0.451 419 D N 0.822 120.817 120.400 -0.674 0.000 2.392 419 D HA 0.042 4.681 4.640 -0.001 0.000 0.206 419 D C 1.663 177.599 176.300 -0.608 0.000 1.046 419 D CA 0.752 54.206 54.000 -0.910 0.000 0.865 419 D CB 0.212 40.599 40.800 -0.687 0.000 0.969 419 D HN 0.422 nan 8.370 nan 0.000 0.509 420 G N 0.561 108.933 108.800 -0.713 0.000 3.228 420 G HA2 0.179 4.139 3.960 -0.001 0.000 0.245 420 G HA3 0.179 4.139 3.960 -0.001 0.000 0.245 420 G C 1.632 176.329 174.900 -0.339 0.000 1.051 420 G CA -0.211 44.309 45.100 -0.966 0.000 0.809 420 G HN 0.121 nan 8.290 nan 0.000 0.531 421 L N 0.615 121.754 121.223 -0.140 0.000 1.997 421 L HA -0.192 4.148 4.340 -0.001 0.000 0.216 421 L C 2.798 179.623 176.870 -0.075 0.000 1.074 421 L CA 1.205 56.081 54.840 0.059 0.000 0.763 421 L CB -0.640 41.522 42.059 0.170 0.000 0.890 421 L HN 0.150 nan 8.230 nan 0.000 0.434 422 L N -0.130 121.042 121.223 -0.086 0.000 1.989 422 L HA -0.197 4.143 4.340 -0.001 0.000 0.211 422 L C 2.941 179.687 176.870 -0.207 0.000 1.071 422 L CA 2.097 56.861 54.840 -0.127 0.000 0.749 422 L CB -1.265 40.737 42.059 -0.095 0.000 0.890 422 L HN 0.482 nan 8.230 nan 0.000 0.431 423 S N -1.188 114.399 115.700 -0.188 0.000 2.383 423 S HA -0.148 4.322 4.470 -0.001 0.000 0.227 423 S C 1.924 176.387 174.600 -0.229 0.000 1.026 423 S CA 1.539 59.624 58.200 -0.192 0.000 0.981 423 S CB -0.797 62.342 63.200 -0.102 0.000 0.818 423 S HN 0.381 nan 8.310 nan 0.000 0.472 424 T N 3.010 117.410 114.554 -0.257 0.000 2.674 424 T HA 0.047 4.396 4.350 -0.001 0.000 0.265 424 T C 2.265 176.593 174.700 -0.619 0.000 1.039 424 T CA 1.452 63.339 62.100 -0.355 0.000 1.150 424 T CB -0.969 67.705 68.868 -0.324 0.000 0.864 424 T HN 0.629 nan 8.240 nan 0.000 0.427 425 A N 1.544 123.850 122.820 -0.857 0.000 1.948 425 A HA 0.017 4.337 4.320 -0.001 0.000 0.220 425 A C 2.619 179.962 177.584 -0.402 0.000 1.177 425 A CA 2.034 53.620 52.037 -0.750 0.000 0.636 425 A CB -1.102 17.605 19.000 -0.488 0.000 0.815 425 A HN 0.540 nan 8.150 nan 0.000 0.449 426 A N -0.677 121.945 122.820 -0.329 0.000 1.898 426 A HA 0.169 4.488 4.320 -0.001 0.000 0.216 426 A C 2.423 179.843 177.584 -0.274 0.000 1.181 426 A CA 1.847 53.733 52.037 -0.252 0.000 0.620 426 A CB -1.328 17.528 19.000 -0.240 0.000 0.819 426 A HN 0.729 nan 8.150 nan 0.000 0.442 427 G N -0.591 108.015 108.800 -0.325 0.000 2.402 427 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.216 427 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.216 427 G C 1.520 176.206 174.900 -0.357 0.000 1.162 427 G CA 1.083 45.965 45.100 -0.363 0.000 0.777 427 G HN 0.276 nan 8.290 nan 0.000 0.539 428 V N 1.685 121.372 119.914 -0.379 0.000 2.250 428 V HA -0.327 3.793 4.120 -0.001 0.000 0.250 428 V C 3.007 178.900 176.094 -0.335 0.000 1.060 428 V CA 2.822 64.867 62.300 -0.425 0.000 1.030 428 V CB -0.550 31.001 31.823 -0.453 0.000 0.643 428 V HN 0.705 nan 8.190 nan 0.000 0.445 429 Q N 0.068 119.727 119.800 -0.235 0.000 2.187 429 Q HA -0.115 4.224 4.340 -0.001 0.000 0.199 429 Q C 2.084 178.010 176.000 -0.123 0.000 0.957 429 Q CA 1.559 57.278 55.803 -0.141 0.000 0.857 429 Q CB -0.432 28.268 28.738 -0.063 0.000 0.929 429 Q HN 0.514 nan 8.270 nan 0.000 0.453 430 R N 0.289 120.698 120.500 -0.152 0.000 2.090 430 R HA 0.100 4.440 4.340 -0.001 0.000 0.228 430 R C 2.358 178.600 176.300 -0.096 0.000 1.110 430 R CA 0.989 57.033 56.100 -0.093 0.000 0.973 430 R CB -0.493 29.751 30.300 -0.093 0.000 0.869 430 R HN 0.427 nan 8.270 nan 0.000 0.440 431 A N 1.204 123.901 122.820 -0.206 0.000 1.865 431 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 431 A C 2.245 179.783 177.584 -0.078 0.000 1.191 431 A CA 2.345 54.269 52.037 -0.189 0.000 0.623 431 A CB -0.607 18.238 19.000 -0.259 0.000 0.826 431 A HN 0.440 nan 8.150 nan 0.000 0.444 432 S N -2.513 113.126 115.700 -0.101 0.000 2.439 432 S HA 0.364 4.834 4.470 -0.001 0.000 0.224 432 S C 1.569 176.152 174.600 -0.027 0.000 1.029 432 S CA 1.281 59.446 58.200 -0.058 0.000 0.946 432 S CB -0.140 63.014 63.200 -0.077 0.000 0.797 432 S HN 2.083 nan 8.310 nan 0.000 0.504 433 G N 1.118 109.901 108.800 -0.028 0.000 2.159 433 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.256 433 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.256 433 G C -0.073 174.825 174.900 -0.002 0.000 0.977 433 G CA 0.338 45.436 45.100 -0.003 0.000 0.652 433 G HN 0.633 nan 8.290 nan 0.000 0.531 434 K N 0.809 121.199 120.400 -0.016 0.000 2.118 434 K HA 0.465 4.784 4.320 -0.001 0.000 0.264 434 K C -2.434 174.174 176.600 0.014 0.000 1.000 434 K CA -2.018 54.259 56.287 -0.015 0.000 0.929 434 K CB 0.828 33.305 32.500 -0.038 0.000 1.021 434 K HN -0.047 nan 8.250 nan 0.000 0.463 435 P HA -0.044 nan 4.420 nan 0.000 0.261 435 P C -0.975 176.376 177.300 0.085 0.000 1.183 435 P CA 0.416 63.542 63.100 0.044 0.000 0.761 435 P CB 0.462 32.078 31.700 -0.139 0.000 0.785 436 T N 4.326 119.012 114.554 0.220 0.000 2.807 436 T HA 0.467 4.817 4.350 -0.001 0.000 0.279 436 T C -0.641 174.291 174.700 0.387 0.000 0.993 436 T CA -0.382 61.859 62.100 0.235 0.000 0.970 436 T CB 0.592 69.547 68.868 0.145 0.000 0.950 436 T HN 0.124 nan 8.240 nan 0.000 0.441 437 L N 4.044 125.496 121.223 0.382 0.000 2.280 437 L HA 0.849 5.188 4.340 -0.001 0.000 0.287 437 L C -0.498 176.558 176.870 0.311 0.000 1.023 437 L CA -0.600 54.481 54.840 0.403 0.000 0.819 437 L CB 0.302 42.624 42.059 0.438 0.000 1.212 437 L HN 0.708 nan 8.230 nan 0.000 0.420 438 A N 6.531 129.511 122.820 0.268 0.000 2.350 438 A HA 0.875 5.195 4.320 -0.001 0.000 0.324 438 A C -0.774 176.921 177.584 0.187 0.000 1.118 438 A CA -0.600 51.598 52.037 0.269 0.000 0.783 438 A CB 0.806 19.981 19.000 0.291 0.000 1.236 438 A HN 0.706 nan 8.150 nan 0.000 0.457 439 I N 1.162 121.823 120.570 0.152 0.000 2.689 439 I HA 0.758 4.927 4.170 -0.001 0.000 0.299 439 I C -0.971 175.176 176.117 0.051 0.000 1.059 439 I CA -1.101 60.249 61.300 0.083 0.000 1.055 439 I CB 2.018 40.057 38.000 0.066 0.000 1.243 439 I HN 0.368 nan 8.210 nan 0.000 0.425 440 V N 2.243 122.167 119.914 0.017 0.000 2.971 440 V HA 0.437 4.557 4.120 -0.001 0.000 0.281 440 V C 0.049 176.127 176.094 -0.026 0.000 1.470 440 V CA -0.522 61.779 62.300 0.002 0.000 0.966 440 V CB 2.277 34.111 31.823 0.017 0.000 1.156 440 V HN 0.988 nan 8.190 nan 0.000 0.441 441 G N 1.719 110.513 108.800 -0.009 0.000 2.562 441 G HA2 0.381 4.340 3.960 -0.001 0.000 0.275 441 G HA3 0.381 4.340 3.960 -0.001 0.000 0.275 441 G C 0.770 175.684 174.900 0.025 0.000 1.196 441 G CA 0.417 45.523 45.100 0.010 0.000 0.908 441 G HN 0.856 nan 8.290 nan 0.000 0.524 442 D N -0.245 120.210 120.400 0.092 0.000 2.117 442 D HA -0.160 4.479 4.640 -0.001 0.000 0.197 442 D C 2.295 178.742 176.300 0.246 0.000 0.987 442 D CA 0.816 54.948 54.000 0.221 0.000 0.829 442 D CB -0.169 40.816 40.800 0.309 0.000 0.961 442 D HN 0.340 nan 8.370 nan 0.000 0.460 443 L N 0.729 122.063 121.223 0.185 0.000 2.275 443 L HA -0.077 4.262 4.340 -0.001 0.000 0.215 443 L C 2.616 179.623 176.870 0.227 0.000 1.119 443 L CA 0.604 55.563 54.840 0.199 0.000 0.790 443 L CB -0.291 41.883 42.059 0.191 0.000 0.919 443 L HN -0.007 nan 8.230 nan 0.000 0.443 444 S N 0.174 115.969 115.700 0.158 0.000 2.371 444 S HA -0.067 4.402 4.470 -0.001 0.000 0.224 444 S C 2.197 176.868 174.600 0.119 0.000 1.029 444 S CA 1.127 59.401 58.200 0.123 0.000 0.978 444 S CB -0.088 63.143 63.200 0.051 0.000 0.833 444 S HN 0.492 nan 8.310 nan 0.000 0.466 445 A N 0.953 123.814 122.820 0.069 0.000 1.968 445 A HA 0.151 4.470 4.320 -0.001 0.000 0.217 445 A C 2.044 179.757 177.584 0.216 0.000 1.169 445 A CA 0.770 52.819 52.037 0.019 0.000 0.638 445 A CB -0.495 18.288 19.000 -0.361 0.000 0.812 445 A HN 0.403 nan 8.150 nan 0.000 0.446 446 L N -2.397 119.009 121.223 0.306 0.000 2.027 446 L HA -0.141 4.198 4.340 -0.001 0.000 0.206 446 L C 2.425 179.418 176.870 0.205 0.000 1.074 446 L CA 1.395 56.400 54.840 0.275 0.000 0.745 446 L CB -0.684 41.502 42.059 0.211 0.000 0.898 446 L HN 0.446 nan 8.230 nan 0.000 0.433 447 Y N 0.204 120.564 120.300 0.099 0.000 2.181 447 Y HA -0.324 4.226 4.550 -0.001 0.000 0.284 447 Y C 1.749 177.680 175.900 0.052 0.000 1.179 447 Y CA 1.990 60.129 58.100 0.065 0.000 1.179 447 Y CB -0.051 38.433 38.460 0.041 0.000 0.973 447 Y HN 0.227 nan 8.280 nan 0.000 0.519 448 D N -1.418 119.134 120.400 0.252 0.000 2.673 448 D HA 0.033 4.672 4.640 -0.001 0.000 0.278 448 D C 1.480 177.850 176.300 0.118 0.000 1.393 448 D CA -0.058 54.034 54.000 0.152 0.000 0.805 448 D CB -0.476 40.352 40.800 0.047 0.000 1.110 448 D HN 0.160 nan 8.370 nan 0.000 0.476 449 L N 1.707 123.029 121.223 0.165 0.000 2.054 449 L HA -0.266 4.074 4.340 -0.001 0.000 0.220 449 L C 1.573 178.529 176.870 0.144 0.000 1.081 449 L CA 2.395 57.348 54.840 0.187 0.000 0.780 449 L CB -1.035 41.166 42.059 0.236 0.000 0.893 449 L HN 0.295 nan 8.230 nan 0.000 0.438 450 N N -0.151 118.663 118.700 0.189 0.000 2.550 450 N HA -0.047 4.693 4.740 -0.001 0.000 0.186 450 N C 1.430 176.977 175.510 0.062 0.000 1.110 450 N CA 1.150 54.352 53.050 0.253 0.000 0.912 450 N CB -0.658 38.123 38.487 0.490 0.000 0.968 450 N HN 0.418 nan 8.380 nan 0.000 0.448 451 A N 0.236 123.038 122.820 -0.031 0.000 2.209 451 A HA 0.159 4.478 4.320 -0.001 0.000 0.212 451 A C 2.040 179.444 177.584 -0.301 0.000 1.158 451 A CA 0.164 52.104 52.037 -0.163 0.000 0.742 451 A CB -0.656 18.267 19.000 -0.128 0.000 0.790 451 A HN 0.359 nan 8.150 nan 0.000 0.472 452 L N -1.111 119.869 121.223 -0.405 0.000 2.362 452 L HA -0.181 4.159 4.340 -0.001 0.000 0.219 452 L C 2.943 179.323 176.870 -0.817 0.000 1.134 452 L CA 0.658 55.140 54.840 -0.597 0.000 0.807 452 L CB -0.417 41.251 42.059 -0.652 0.000 0.927 452 L HN 0.487 nan 8.230 nan 0.000 0.447 453 A N 0.558 122.908 122.820 -0.784 0.000 1.883 453 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 453 A C 2.181 179.669 177.584 -0.159 0.000 1.186 453 A CA 1.547 53.441 52.037 -0.239 0.000 0.624 453 A CB -0.668 18.455 19.000 0.205 0.000 0.822 453 A HN 0.376 nan 8.150 nan 0.000 0.444 454 L N -0.843 120.192 121.223 -0.313 0.000 2.083 454 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 454 L C 1.934 178.706 176.870 -0.162 0.000 1.083 454 L CA 0.846 55.514 54.840 -0.285 0.000 0.752 454 L CB -0.484 41.316 42.059 -0.433 0.000 0.899 454 L HN 0.316 nan 8.230 nan 0.000 0.433 455 L N -0.611 120.515 121.223 -0.163 0.000 2.650 455 L HA -0.009 4.331 4.340 -0.001 0.000 0.235 455 L C 2.130 178.983 176.870 -0.029 0.000 1.149 455 L CA 0.203 54.988 54.840 -0.091 0.000 0.887 455 L CB -0.380 41.624 42.059 -0.092 0.000 1.021 455 L HN 0.128 nan 8.230 nan 0.000 0.441 456 R N -0.243 120.250 120.500 -0.012 0.000 2.276 456 R HA 0.020 4.360 4.340 -0.001 0.000 0.203 456 R C 0.463 176.785 176.300 0.037 0.000 1.017 456 R CA 0.591 56.718 56.100 0.045 0.000 1.010 456 R CB 0.103 30.457 30.300 0.091 0.000 0.900 456 R HN 0.363 nan 8.270 nan 0.000 0.469 457 Q N 0.826 120.633 119.800 0.012 0.000 3.064 457 Q HA 0.196 4.536 4.340 -0.001 0.000 0.258 457 Q C -1.447 174.562 176.000 0.015 0.000 0.972 457 Q CA -0.428 55.389 55.803 0.023 0.000 0.761 457 Q CB 1.865 30.623 28.738 0.033 0.000 1.281 457 Q HN 0.040 nan 8.270 nan 0.000 0.455 458 V N -1.456 118.472 119.914 0.023 0.000 2.628 458 V HA 0.556 4.676 4.120 -0.001 0.000 0.306 458 V C 0.848 176.967 176.094 0.042 0.000 1.045 458 V CA -0.329 61.986 62.300 0.024 0.000 0.905 458 V CB 1.892 33.731 31.823 0.028 0.000 0.997 458 V HN 0.518 nan 8.190 nan 0.000 0.436 459 S N 2.072 117.796 115.700 0.040 0.000 2.558 459 S HA 0.622 5.092 4.470 -0.001 0.000 0.217 459 S C 0.601 175.232 174.600 0.051 0.000 0.975 459 S CA 0.336 58.563 58.200 0.045 0.000 0.912 459 S CB -0.124 63.102 63.200 0.043 0.000 0.776 459 S HN 1.983 nan 8.310 nan 0.000 0.526 460 A N 1.592 124.449 122.820 0.062 0.000 2.594 460 A HA 0.786 5.106 4.320 -0.001 0.000 0.291 460 A C -3.113 174.549 177.584 0.130 0.000 1.105 460 A CA -2.068 50.021 52.037 0.086 0.000 0.694 460 A CB 0.690 19.731 19.000 0.068 0.000 1.291 460 A HN 0.188 nan 8.150 nan 0.000 0.410 461 P HA 0.255 nan 4.420 nan 0.000 0.266 461 P C -0.842 176.646 177.300 0.312 0.000 1.193 461 P CA 0.389 63.653 63.100 0.274 0.000 0.770 461 P CB 0.651 32.628 31.700 0.462 0.000 0.836 462 L N 3.115 124.467 121.223 0.214 0.000 2.439 462 L HA 0.420 4.759 4.340 -0.001 0.000 0.270 462 L C -1.154 175.772 176.870 0.092 0.000 0.972 462 L CA -0.906 54.050 54.840 0.194 0.000 0.836 462 L CB 2.035 44.157 42.059 0.104 0.000 1.255 462 L HN 0.012 nan 8.230 nan 0.000 0.404 463 V N 5.660 125.636 119.914 0.104 0.000 2.370 463 V HA 0.373 4.493 4.120 -0.001 0.000 0.279 463 V C -0.363 175.771 176.094 0.067 0.000 1.029 463 V CA -0.460 61.824 62.300 -0.027 0.000 0.870 463 V CB 1.668 33.412 31.823 -0.132 0.000 0.984 463 V HN 0.564 nan 8.190 nan 0.000 0.451 464 L N 7.588 128.816 121.223 0.009 0.000 2.295 464 L HA 0.583 4.922 4.340 -0.001 0.000 0.281 464 L C -0.351 176.503 176.870 -0.027 0.000 1.018 464 L CA 0.258 55.105 54.840 0.012 0.000 0.841 464 L CB 0.833 42.884 42.059 -0.013 0.000 1.218 464 L HN 0.508 nan 8.230 nan 0.000 0.424 465 I N 5.609 126.183 120.570 0.007 0.000 2.371 465 I HA 0.267 4.437 4.170 -0.001 0.000 0.290 465 I C -0.506 175.573 176.117 -0.063 0.000 1.028 465 I CA -0.587 60.693 61.300 -0.034 0.000 1.345 465 I CB 1.347 39.363 38.000 0.027 0.000 1.407 465 I HN 0.244 nan 8.210 nan 0.000 0.501 466 V N 7.718 127.562 119.914 -0.117 0.000 2.304 466 V HA 0.178 4.297 4.120 -0.001 0.000 0.278 466 V C 0.160 176.209 176.094 -0.075 0.000 1.018 466 V CA -0.720 61.479 62.300 -0.168 0.000 0.814 466 V CB 1.457 33.019 31.823 -0.436 0.000 1.021 466 V HN 0.405 nan 8.190 nan 0.000 0.440 467 V N 4.342 124.233 119.914 -0.037 0.000 2.485 467 V HA 0.159 4.278 4.120 -0.001 0.000 0.287 467 V C 0.521 176.648 176.094 0.054 0.000 1.022 467 V CA -0.020 62.281 62.300 0.002 0.000 1.067 467 V CB 0.662 32.484 31.823 -0.003 0.000 0.967 467 V HN 0.830 nan 8.190 nan 0.000 0.479 468 N N 4.524 123.287 118.700 0.105 0.000 2.621 468 N HA 0.232 4.972 4.740 -0.001 0.000 0.237 468 N C 0.373 175.949 175.510 0.109 0.000 0.997 468 N CA -0.591 52.557 53.050 0.163 0.000 0.918 468 N CB 0.784 39.427 38.487 0.260 0.000 1.122 468 N HN 0.743 nan 8.380 nan 0.000 0.510 469 N N 2.079 120.830 118.700 0.086 0.000 2.214 469 N HA 0.113 4.853 4.740 -0.001 0.000 0.214 469 N C -0.478 175.070 175.510 0.063 0.000 1.132 469 N CA -0.352 52.737 53.050 0.065 0.000 0.856 469 N CB -0.211 38.305 38.487 0.049 0.000 1.020 469 N HN 0.294 nan 8.380 nan 0.000 0.509 470 N N 0.210 118.947 118.700 0.063 0.000 2.648 470 N HA -0.065 4.674 4.740 -0.001 0.000 0.265 470 N C -0.138 175.407 175.510 0.058 0.000 1.100 470 N CA 1.399 54.474 53.050 0.041 0.000 0.715 470 N CB -1.286 37.212 38.487 0.019 0.000 0.881 470 N HN 0.935 nan 8.380 nan 0.000 0.548 471 G N -1.385 107.464 108.800 0.080 0.000 2.355 471 G HA2 0.396 4.356 3.960 -0.001 0.000 0.619 471 G HA3 0.396 4.356 3.960 -0.001 0.000 0.619 471 G C 0.198 175.178 174.900 0.134 0.000 1.337 471 G CA 0.023 45.188 45.100 0.110 0.000 0.993 471 G HN 0.893 nan 8.290 nan 0.000 0.599 472 G N -0.163 108.760 108.800 0.205 0.000 3.008 472 G HA2 0.417 4.376 3.960 -0.001 0.000 0.272 472 G HA3 0.417 4.376 3.960 -0.001 0.000 0.272 472 G C 0.900 175.867 174.900 0.112 0.000 0.764 472 G CA 0.056 45.270 45.100 0.189 0.000 2.029 472 G HN 0.536 nan 8.290 nan 0.000 0.587 473 Q N 1.000 120.830 119.800 0.050 0.000 2.561 473 Q HA -0.094 4.245 4.340 -0.001 0.000 0.217 473 Q C 2.170 178.145 176.000 -0.041 0.000 0.980 473 Q CA 0.129 55.954 55.803 0.037 0.000 0.927 473 Q CB -0.032 28.726 28.738 0.033 0.000 0.980 473 Q HN 0.745 nan 8.270 nan 0.000 0.525 474 I N -0.504 119.954 120.570 -0.187 0.000 2.567 474 I HA -0.206 3.963 4.170 -0.001 0.000 0.257 474 I C 0.782 176.734 176.117 -0.276 0.000 1.184 474 I CA 1.036 62.152 61.300 -0.306 0.000 1.451 474 I CB -0.062 37.628 38.000 -0.516 0.000 1.089 474 I HN -0.048 nan 8.210 nan 0.000 0.441 475 F N -0.596 119.388 119.950 0.057 0.000 2.732 475 F HA 0.199 4.726 4.527 -0.001 0.000 0.303 475 F C 2.265 178.069 175.800 0.006 0.000 1.110 475 F CA 0.149 58.179 58.000 0.050 0.000 1.355 475 F CB -0.697 38.392 39.000 0.149 0.000 1.081 475 F HN -0.057 nan 8.300 nan 0.000 0.565 476 S N -0.064 115.706 115.700 0.117 0.000 2.404 476 S HA -0.032 4.437 4.470 -0.001 0.000 0.223 476 S C 1.989 176.605 174.600 0.027 0.000 1.040 476 S CA 0.218 58.455 58.200 0.062 0.000 0.957 476 S CB -0.226 63.003 63.200 0.048 0.000 0.826 476 S HN 0.266 nan 8.310 nan 0.000 0.491 477 L N 2.066 123.291 121.223 0.003 0.000 2.012 477 L HA 0.092 4.431 4.340 -0.001 0.000 0.210 477 L C 0.521 177.389 176.870 -0.003 0.000 1.073 477 L CA 1.486 56.319 54.840 -0.012 0.000 0.748 477 L CB -0.865 41.171 42.059 -0.038 0.000 0.891 477 L HN 0.227 nan 8.230 nan 0.000 0.431 478 L N 0.330 121.559 121.223 0.010 0.000 2.472 478 L HA 0.181 4.521 4.340 -0.001 0.000 0.260 478 L C -1.706 175.165 176.870 0.002 0.000 1.209 478 L CA -1.290 53.563 54.840 0.022 0.000 0.817 478 L CB -0.289 41.813 42.059 0.071 0.000 1.106 478 L HN 0.050 nan 8.230 nan 0.000 0.479 479 P HA 0.109 nan 4.420 nan 0.000 0.208 479 P C -0.630 176.620 177.300 -0.084 0.000 1.837 479 P CA -0.465 62.614 63.100 -0.035 0.000 0.953 479 P CB -0.346 31.342 31.700 -0.020 0.000 1.870 480 T N -1.189 113.277 114.554 -0.146 0.000 2.814 480 T HA 0.324 4.673 4.350 -0.001 0.000 0.297 480 T C -2.425 172.113 174.700 -0.270 0.000 0.956 480 T CA -2.315 59.571 62.100 -0.357 0.000 1.123 480 T CB -0.282 68.213 68.868 -0.621 0.000 0.902 480 T HN -0.017 nan 8.240 nan 0.000 0.528 481 P HA 0.067 nan 4.420 nan 0.000 0.258 481 P C 0.693 177.968 177.300 -0.041 0.000 1.187 481 P CA 0.056 63.106 63.100 -0.082 0.000 0.767 481 P CB 0.314 31.993 31.700 -0.035 0.000 0.770 482 Q N 1.486 121.278 119.800 -0.015 0.000 2.297 482 Q HA -0.182 4.158 4.340 -0.001 0.000 0.208 482 Q C 2.049 178.077 176.000 0.047 0.000 0.981 482 Q CA 1.471 57.283 55.803 0.015 0.000 0.876 482 Q CB -0.274 28.473 28.738 0.015 0.000 0.921 482 Q HN 0.510 nan 8.270 nan 0.000 0.446 483 S N 1.353 117.084 115.700 0.053 0.000 2.353 483 S HA -0.151 4.318 4.470 -0.001 0.000 0.222 483 S C 1.502 176.178 174.600 0.127 0.000 1.035 483 S CA 1.419 59.664 58.200 0.075 0.000 1.025 483 S CB 0.054 63.293 63.200 0.064 0.000 0.902 483 S HN 0.464 nan 8.310 nan 0.000 0.440 484 E N 0.423 120.736 120.200 0.187 0.000 2.501 484 E HA 0.163 4.513 4.350 -0.001 0.000 0.200 484 E C 1.576 178.409 176.600 0.388 0.000 1.016 484 E CA -0.200 56.406 56.400 0.342 0.000 0.921 484 E CB -0.183 29.792 29.700 0.458 0.000 1.034 484 E HN 0.449 nan 8.360 nan 0.000 0.468 485 R N 2.249 122.898 120.500 0.249 0.000 2.097 485 R HA -0.205 4.135 4.340 -0.001 0.000 0.236 485 R C 2.118 178.545 176.300 0.211 0.000 1.135 485 R CA 2.260 58.492 56.100 0.220 0.000 0.934 485 R CB -0.204 30.151 30.300 0.092 0.000 0.846 485 R HN 0.231 nan 8.270 nan 0.000 0.431 486 E N -0.332 119.941 120.200 0.122 0.000 2.031 486 E HA -0.249 4.100 4.350 -0.001 0.000 0.193 486 E C 2.118 178.714 176.600 -0.006 0.000 0.994 486 E CA 1.633 58.071 56.400 0.064 0.000 0.800 486 E CB -0.094 29.625 29.700 0.031 0.000 0.752 486 E HN 0.464 nan 8.360 nan 0.000 0.447 487 R N -0.789 119.664 120.500 -0.078 0.000 2.119 487 R HA -0.049 4.290 4.340 -0.001 0.000 0.222 487 R C 1.380 177.328 176.300 -0.587 0.000 1.088 487 R CA 1.377 57.265 56.100 -0.353 0.000 0.984 487 R CB -0.174 29.846 30.300 -0.468 0.000 0.884 487 R HN 0.120 nan 8.270 nan 0.000 0.447 488 F N -1.623 118.305 119.950 -0.036 0.000 2.706 488 F HA 0.336 4.862 4.527 -0.001 0.000 0.308 488 F C 0.641 176.133 175.800 -0.514 0.000 1.095 488 F CA -0.355 57.504 58.000 -0.236 0.000 1.244 488 F CB 0.542 39.370 39.000 -0.287 0.000 1.063 488 F HN -0.102 nan 8.300 nan 0.000 0.582 489 Y N -1.066 119.206 120.300 -0.046 0.000 2.769 489 Y HA 0.202 4.752 4.550 -0.001 0.000 0.266 489 Y C 1.922 177.779 175.900 -0.072 0.000 1.091 489 Y CA 0.129 58.080 58.100 -0.248 0.000 1.272 489 Y CB -0.260 38.066 38.460 -0.223 0.000 1.469 489 Y HN -0.223 nan 8.280 nan 0.000 0.475 490 L N -0.353 121.009 121.223 0.232 0.000 2.072 490 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 490 L C 0.646 177.609 176.870 0.154 0.000 1.079 490 L CA 0.750 55.738 54.840 0.247 0.000 0.752 490 L CB -0.622 41.542 42.059 0.175 0.000 0.906 490 L HN 0.240 nan 8.230 nan 0.000 0.436 491 M N 0.021 119.655 119.600 0.058 0.000 2.259 491 M HA -0.132 4.348 4.480 -0.001 0.000 0.188 491 M C -2.150 174.165 176.300 0.026 0.000 0.665 491 M CA -0.407 54.897 55.300 0.007 0.000 0.464 491 M CB -1.883 30.711 32.600 -0.010 0.000 1.063 491 M HN 0.062 nan 8.290 nan 0.000 0.912 492 P HA -0.040 nan 4.420 nan 0.000 0.269 492 P C 0.075 177.367 177.300 -0.013 0.000 1.217 492 P CA 0.496 63.606 63.100 0.015 0.000 0.783 492 P CB 0.557 32.262 31.700 0.008 0.000 0.898 493 Q N -0.181 119.604 119.800 -0.026 0.000 2.157 493 Q HA 0.092 4.432 4.340 -0.001 0.000 0.235 493 Q C -0.237 175.711 176.000 -0.087 0.000 0.803 493 Q CA -0.121 55.652 55.803 -0.051 0.000 0.967 493 Q CB -0.058 28.655 28.738 -0.042 0.000 1.150 493 Q HN 0.484 nan 8.270 nan 0.000 0.482 494 N N 0.859 119.499 118.700 -0.099 0.000 2.641 494 N HA -0.156 4.584 4.740 -0.001 0.000 0.267 494 N C -0.777 174.610 175.510 -0.204 0.000 1.087 494 N CA 0.529 53.498 53.050 -0.135 0.000 0.731 494 N CB -1.091 37.348 38.487 -0.080 0.000 0.886 494 N HN 0.075 nan 8.380 nan 0.000 0.547 495 V N 0.312 120.025 119.914 -0.334 0.000 3.156 495 V HA 0.613 4.733 4.120 -0.001 0.000 0.311 495 V C -0.369 175.328 176.094 -0.663 0.000 1.208 495 V CA -0.601 61.468 62.300 -0.386 0.000 1.063 495 V CB 2.632 34.240 31.823 -0.359 0.000 1.098 495 V HN 0.499 nan 8.190 nan 0.000 0.452 496 H N 0.027 118.888 119.070 -0.348 0.000 2.966 496 H HA 0.446 5.001 4.556 -0.001 0.000 0.330 496 H C -0.995 174.019 175.328 -0.523 0.000 1.292 496 H CA -0.311 55.550 56.048 -0.311 0.000 1.127 496 H CB 1.738 31.465 29.762 -0.058 0.000 1.863 496 H HN 0.526 nan 8.280 nan 0.000 0.543 497 F N -0.400 119.727 119.950 0.295 0.000 2.706 497 F HA 0.146 4.672 4.527 -0.001 0.000 0.313 497 F C 2.097 177.894 175.800 -0.005 0.000 1.096 497 F CA -0.047 58.087 58.000 0.225 0.000 1.219 497 F CB 0.636 39.815 39.000 0.298 0.000 1.051 497 F HN 0.522 nan 8.300 nan 0.000 0.568 498 E N 0.135 120.098 120.200 -0.395 0.000 2.077 498 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 498 E C 1.930 178.224 176.600 -0.509 0.000 0.989 498 E CA 1.500 57.200 56.400 -1.166 0.000 0.800 498 E CB -0.025 28.972 29.700 -1.172 0.000 0.746 498 E HN 0.423 nan 8.360 nan 0.000 0.452 499 H N -0.677 118.265 119.070 -0.212 0.000 2.395 499 H HA -0.000 4.555 4.556 -0.001 0.000 0.299 499 H C 1.972 177.276 175.328 -0.040 0.000 1.070 499 H CA 1.225 57.199 56.048 -0.123 0.000 1.356 499 H CB -0.049 29.653 29.762 -0.099 0.000 1.401 499 H HN 0.307 nan 8.280 nan 0.000 0.524 500 A N 1.209 124.134 122.820 0.174 0.000 1.898 500 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 500 A C 2.714 180.491 177.584 0.321 0.000 1.181 500 A CA 1.582 53.788 52.037 0.282 0.000 0.620 500 A CB -0.804 18.437 19.000 0.401 0.000 0.819 500 A HN 0.414 nan 8.150 nan 0.000 0.442 501 A N 0.093 123.055 122.820 0.237 0.000 1.873 501 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 501 A C 2.555 180.220 177.584 0.134 0.000 1.193 501 A CA 2.604 54.768 52.037 0.212 0.000 0.629 501 A CB -1.229 17.883 19.000 0.186 0.000 0.826 501 A HN 1.149 nan 8.150 nan 0.000 0.447 502 A N -0.908 121.923 122.820 0.019 0.000 1.883 502 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 502 A C 2.293 179.858 177.584 -0.031 0.000 1.186 502 A CA 2.134 54.160 52.037 -0.018 0.000 0.624 502 A CB -0.633 18.328 19.000 -0.064 0.000 0.822 502 A HN 0.625 nan 8.150 nan 0.000 0.444 503 M N -1.501 118.043 119.600 -0.093 0.000 2.103 503 M HA -0.214 4.266 4.480 -0.001 0.000 0.255 503 M C 0.663 176.714 176.300 -0.414 0.000 1.074 503 M CA 1.970 57.066 55.300 -0.339 0.000 1.090 503 M CB -0.203 32.045 32.600 -0.587 0.000 1.325 503 M HN 0.413 nan 8.290 nan 0.000 0.403 504 F N 0.560 120.548 119.950 0.064 0.000 2.668 504 F HA 0.231 4.758 4.527 -0.001 0.000 0.297 504 F C 0.158 175.990 175.800 0.053 0.000 1.124 504 F CA -0.253 57.787 58.000 0.068 0.000 1.353 504 F CB -0.419 38.633 39.000 0.087 0.000 0.992 504 F HN 0.177 nan 8.300 nan 0.000 0.524 505 E N 1.206 121.481 120.200 0.124 0.000 2.210 505 E HA -0.206 4.143 4.350 -0.001 0.000 0.201 505 E C -0.803 175.860 176.600 0.104 0.000 1.339 505 E CA 0.140 56.591 56.400 0.085 0.000 0.699 505 E CB -1.477 28.264 29.700 0.067 0.000 1.126 505 E HN 0.431 nan 8.360 nan 0.000 0.355 506 L N 0.454 121.748 121.223 0.119 0.000 2.346 506 L HA 0.446 4.785 4.340 -0.001 0.000 0.274 506 L C 0.502 177.427 176.870 0.090 0.000 1.007 506 L CA -1.184 53.726 54.840 0.116 0.000 0.818 506 L CB 1.534 43.687 42.059 0.157 0.000 1.284 506 L HN -0.019 nan 8.230 nan 0.000 0.424 507 K N 1.694 122.132 120.400 0.064 0.000 2.436 507 K HA 0.126 4.445 4.320 -0.001 0.000 0.275 507 K C -1.309 175.323 176.600 0.054 0.000 0.999 507 K CA 0.499 56.800 56.287 0.023 0.000 0.980 507 K CB 0.345 32.861 32.500 0.028 0.000 0.919 507 K HN 0.450 nan 8.250 nan 0.000 0.484 508 Y N 3.626 123.784 120.300 -0.237 0.000 2.441 508 Y HA 0.331 4.880 4.550 -0.001 0.000 0.334 508 Y C -1.406 174.244 175.900 -0.417 0.000 1.061 508 Y CA -0.775 57.206 58.100 -0.199 0.000 1.032 508 Y CB 1.255 39.660 38.460 -0.091 0.000 1.266 508 Y HN 0.660 nan 8.280 nan 0.000 0.441 509 H N 5.307 124.037 119.070 -0.567 0.000 2.679 509 H HA 0.377 4.933 4.556 -0.001 0.000 0.360 509 H C -1.093 173.781 175.328 -0.758 0.000 1.105 509 H CA -1.091 54.680 56.048 -0.461 0.000 1.196 509 H CB 2.447 32.023 29.762 -0.309 0.000 1.636 509 H HN 0.624 nan 8.280 nan 0.000 0.531 510 R N 3.776 124.092 120.500 -0.306 0.000 2.666 510 R HA 0.225 4.565 4.340 -0.001 0.000 0.275 510 R C -2.581 173.657 176.300 -0.103 0.000 1.266 510 R CA -1.547 54.443 56.100 -0.184 0.000 1.401 510 R CB 0.269 30.582 30.300 0.021 0.000 1.145 510 R HN 0.380 nan 8.270 nan 0.000 0.581 511 P HA 0.087 nan 4.420 nan 0.000 0.275 511 P C -0.640 176.554 177.300 -0.177 0.000 1.227 511 P CA -0.133 62.888 63.100 -0.132 0.000 0.781 511 P CB 1.416 33.034 31.700 -0.136 0.000 0.906 512 Q N 1.283 120.871 119.800 -0.353 0.000 2.247 512 Q HA 0.124 4.464 4.340 -0.001 0.000 0.211 512 Q C -0.198 175.101 176.000 -1.168 0.000 0.861 512 Q CA 0.036 55.510 55.803 -0.549 0.000 0.949 512 Q CB 0.172 28.733 28.738 -0.295 0.000 1.115 512 Q HN 0.642 nan 8.270 nan 0.000 0.507 513 N N -3.263 114.597 118.700 -1.401 0.000 3.322 513 N HA 0.018 4.758 4.740 -0.001 0.000 0.233 513 N C -0.797 174.357 175.510 -0.593 0.000 1.399 513 N CA -0.838 51.299 53.050 -1.522 0.000 0.894 513 N CB -0.459 37.641 38.487 -0.645 0.000 1.440 513 N HN -0.070 nan 8.380 nan 0.000 0.503 514 W N -0.257 121.084 121.300 0.068 0.000 2.321 514 W HA -0.157 4.502 4.660 -0.001 0.000 0.285 514 W C 1.757 178.343 176.519 0.110 0.000 1.213 514 W CA 0.918 58.424 57.345 0.268 0.000 1.205 514 W CB -0.200 29.424 29.460 0.274 0.000 1.134 514 W HN 0.605 nan 8.180 nan 0.000 0.549 515 Q N -0.104 119.815 119.800 0.200 0.000 2.172 515 Q HA -0.158 4.182 4.340 -0.001 0.000 0.200 515 Q C 1.819 177.840 176.000 0.036 0.000 0.964 515 Q CA 1.382 57.254 55.803 0.114 0.000 0.855 515 Q CB -0.213 28.560 28.738 0.058 0.000 0.918 515 Q HN 0.454 nan 8.270 nan 0.000 0.444 516 E N 0.042 120.217 120.200 -0.042 0.000 2.250 516 E HA -0.083 4.267 4.350 -0.001 0.000 0.192 516 E C 1.732 178.242 176.600 -0.150 0.000 0.986 516 E CA 0.140 56.477 56.400 -0.104 0.000 0.849 516 E CB 0.134 29.744 29.700 -0.150 0.000 0.797 516 E HN 0.137 nan 8.360 nan 0.000 0.482 517 L N 1.815 122.980 121.223 -0.096 0.000 2.093 517 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 517 L C 1.856 178.583 176.870 -0.237 0.000 1.085 517 L CA 1.782 56.485 54.840 -0.229 0.000 0.755 517 L CB -0.122 41.887 42.059 -0.083 0.000 0.904 517 L HN 0.015 nan 8.230 nan 0.000 0.435 518 E N -1.042 119.178 120.200 0.034 0.000 2.038 518 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 518 E C 1.941 178.580 176.600 0.064 0.000 1.000 518 E CA 1.930 58.425 56.400 0.159 0.000 0.803 518 E CB -0.279 29.557 29.700 0.227 0.000 0.750 518 E HN 0.534 nan 8.360 nan 0.000 0.448 519 T N 1.141 115.677 114.554 -0.030 0.000 2.652 519 T HA -0.236 4.113 4.350 -0.001 0.000 0.267 519 T C 2.030 176.580 174.700 -0.250 0.000 1.039 519 T CA 1.451 63.496 62.100 -0.092 0.000 1.153 519 T CB -0.466 68.339 68.868 -0.105 0.000 0.863 519 T HN 0.297 nan 8.240 nan 0.000 0.428 520 A N 1.267 123.814 122.820 -0.455 0.000 1.915 520 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 520 A C 2.013 179.214 177.584 -0.638 0.000 1.198 520 A CA 2.003 53.543 52.037 -0.827 0.000 0.647 520 A CB -1.220 17.292 19.000 -0.813 0.000 0.825 520 A HN 0.436 nan 8.150 nan 0.000 0.456 521 F N -0.130 119.598 119.950 -0.370 0.000 2.051 521 F HA -0.087 4.440 4.527 -0.001 0.000 0.296 521 F C 2.903 178.523 175.800 -0.301 0.000 1.122 521 F CA 0.823 58.583 58.000 -0.401 0.000 1.201 521 F CB -1.163 37.753 39.000 -0.140 0.000 0.978 521 F HN 0.278 nan 8.300 nan 0.000 0.472 522 A N -0.037 122.841 122.820 0.096 0.000 1.884 522 A HA -0.335 3.985 4.320 -0.001 0.000 0.219 522 A C 2.074 179.695 177.584 0.062 0.000 1.197 522 A CA 2.384 54.496 52.037 0.126 0.000 0.637 522 A CB -1.291 17.766 19.000 0.094 0.000 0.827 522 A HN 0.408 nan 8.150 nan 0.000 0.450 523 D N -0.347 120.034 120.400 -0.032 0.000 2.104 523 D HA -0.097 4.543 4.640 -0.001 0.000 0.194 523 D C 2.094 178.377 176.300 -0.029 0.000 0.994 523 D CA 1.958 55.947 54.000 -0.019 0.000 0.830 523 D CB -0.396 40.379 40.800 -0.041 0.000 0.959 523 D HN 0.366 nan 8.370 nan 0.000 0.452 524 A N -0.014 122.703 122.820 -0.172 0.000 1.883 524 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 524 A C 2.143 179.643 177.584 -0.140 0.000 1.186 524 A CA 1.557 53.443 52.037 -0.252 0.000 0.624 524 A CB -1.519 17.158 19.000 -0.538 0.000 0.822 524 A HN 0.530 nan 8.150 nan 0.000 0.444 525 W N -0.496 120.872 121.300 0.114 0.000 3.096 525 W HA 0.141 4.801 4.660 -0.001 0.000 0.241 525 W C 2.012 178.574 176.519 0.072 0.000 1.316 525 W CA -0.025 57.376 57.345 0.093 0.000 1.520 525 W CB 0.009 29.521 29.460 0.087 0.000 1.128 525 W HN 0.261 nan 8.180 nan 0.000 0.707 526 R N 0.071 120.711 120.500 0.232 0.000 2.236 526 R HA 0.004 4.344 4.340 -0.001 0.000 0.208 526 R C 0.555 176.937 176.300 0.137 0.000 1.036 526 R CA 1.151 57.349 56.100 0.165 0.000 1.001 526 R CB -0.187 30.182 30.300 0.115 0.000 0.896 526 R HN -0.022 nan 8.270 nan 0.000 0.464 527 T N -2.247 112.391 114.554 0.140 0.000 2.982 527 T HA 0.230 4.580 4.350 -0.001 0.000 0.321 527 T C -2.883 171.887 174.700 0.117 0.000 1.229 527 T CA -1.923 60.241 62.100 0.108 0.000 1.044 527 T CB 2.598 71.516 68.868 0.083 0.000 1.184 527 T HN -0.212 nan 8.240 nan 0.000 0.477 528 P HA 0.197 nan 4.420 nan 0.000 0.235 528 P C -0.209 177.141 177.300 0.083 0.000 1.765 528 P CA 0.130 63.288 63.100 0.096 0.000 1.034 528 P CB -1.070 30.675 31.700 0.076 0.000 1.984 529 T N -2.673 111.934 114.554 0.088 0.000 2.916 529 T HA 0.362 4.711 4.350 -0.001 0.000 0.305 529 T C -0.124 174.615 174.700 0.066 0.000 1.119 529 T CA -0.627 61.515 62.100 0.070 0.000 1.008 529 T CB 0.864 69.770 68.868 0.064 0.000 1.129 529 T HN -0.110 nan 8.240 nan 0.000 0.480 530 T N 2.807 117.392 114.554 0.051 0.000 2.930 530 T HA 0.461 4.811 4.350 -0.001 0.000 0.306 530 T C -0.059 174.660 174.700 0.031 0.000 1.045 530 T CA 0.085 62.207 62.100 0.037 0.000 1.134 530 T CB 0.440 69.322 68.868 0.024 0.000 0.961 530 T HN 0.778 nan 8.240 nan 0.000 0.545 531 T N 2.735 117.291 114.554 0.003 0.000 2.881 531 T HA 0.455 4.804 4.350 -0.001 0.000 0.290 531 T C -0.481 174.208 174.700 -0.019 0.000 1.000 531 T CA -0.534 61.565 62.100 -0.003 0.000 0.978 531 T CB 1.261 70.097 68.868 -0.054 0.000 0.997 531 T HN 0.330 nan 8.240 nan 0.000 0.443 532 V N 4.906 124.830 119.914 0.017 0.000 2.407 532 V HA 0.524 4.643 4.120 -0.001 0.000 0.278 532 V C -0.207 175.798 176.094 -0.149 0.000 1.037 532 V CA -0.636 61.659 62.300 -0.009 0.000 0.900 532 V CB 1.166 33.067 31.823 0.131 0.000 0.983 532 V HN 0.765 nan 8.190 nan 0.000 0.459 533 I N 4.100 124.551 120.570 -0.198 0.000 2.382 533 I HA 0.367 4.537 4.170 -0.001 0.000 0.285 533 I C 0.144 176.111 176.117 -0.250 0.000 1.007 533 I CA -0.155 60.959 61.300 -0.310 0.000 1.142 533 I CB 1.505 39.273 38.000 -0.387 0.000 1.289 533 I HN 0.609 nan 8.210 nan 0.000 0.453 534 E N 7.532 127.548 120.200 -0.306 0.000 2.115 534 E HA 0.326 4.676 4.350 -0.001 0.000 0.282 534 E C -0.877 175.686 176.600 -0.061 0.000 0.987 534 E CA -0.533 55.815 56.400 -0.087 0.000 0.797 534 E CB 1.183 30.963 29.700 0.133 0.000 1.086 534 E HN 0.496 nan 8.360 nan 0.000 0.397 535 M N 5.930 125.517 119.600 -0.023 0.000 2.036 535 M HA 0.222 4.702 4.480 -0.001 0.000 0.337 535 M C -1.297 175.035 176.300 0.053 0.000 1.012 535 M CA -0.791 54.504 55.300 -0.009 0.000 0.962 535 M CB 0.888 33.420 32.600 -0.112 0.000 1.423 535 M HN 0.193 nan 8.290 nan 0.000 0.405 536 V N 5.923 125.906 119.914 0.115 0.000 2.508 536 V HA 0.348 4.467 4.120 -0.001 0.000 0.281 536 V C 0.117 176.274 176.094 0.105 0.000 1.041 536 V CA -0.521 61.867 62.300 0.146 0.000 1.016 536 V CB 0.558 32.499 31.823 0.197 0.000 0.984 536 V HN 0.665 nan 8.190 nan 0.000 0.478 537 V N 2.011 121.972 119.914 0.079 0.000 3.040 537 V HA 0.677 4.796 4.120 -0.001 0.000 0.312 537 V C -0.310 175.820 176.094 0.060 0.000 1.115 537 V CA -1.296 61.038 62.300 0.056 0.000 0.998 537 V CB 2.247 34.078 31.823 0.012 0.000 1.042 537 V HN 0.678 nan 8.190 nan 0.000 0.433 538 N N 2.799 121.532 118.700 0.055 0.000 2.483 538 N HA 0.065 4.804 4.740 -0.001 0.000 0.264 538 N C 0.646 176.182 175.510 0.043 0.000 1.197 538 N CA 0.516 53.596 53.050 0.049 0.000 0.927 538 N CB 1.041 39.556 38.487 0.046 0.000 1.065 538 N HN 0.983 nan 8.380 nan 0.000 0.461 539 D N 0.837 121.263 120.400 0.044 0.000 2.104 539 D HA -0.198 4.441 4.640 -0.001 0.000 0.194 539 D C 1.433 177.756 176.300 0.039 0.000 0.994 539 D CA 2.067 56.093 54.000 0.044 0.000 0.830 539 D CB -0.795 40.033 40.800 0.047 0.000 0.959 539 D HN 0.598 nan 8.370 nan 0.000 0.452 540 T N -3.085 111.491 114.554 0.037 0.000 3.043 540 T HA -0.038 4.311 4.350 -0.001 0.000 0.263 540 T C 1.407 176.122 174.700 0.025 0.000 1.094 540 T CA 0.687 62.805 62.100 0.031 0.000 1.127 540 T CB -0.220 68.667 68.868 0.031 0.000 0.905 540 T HN -0.167 nan 8.240 nan 0.000 0.490 541 D N 2.239 122.656 120.400 0.028 0.000 2.248 541 D HA -0.130 4.509 4.640 -0.001 0.000 0.189 541 D C 2.261 178.574 176.300 0.023 0.000 1.011 541 D CA 1.942 55.959 54.000 0.029 0.000 0.868 541 D CB -1.025 39.795 40.800 0.034 0.000 0.931 541 D HN 0.560 nan 8.370 nan 0.000 0.449 542 G N 0.358 109.169 108.800 0.019 0.000 2.587 542 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 542 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 542 G C 1.721 176.625 174.900 0.006 0.000 1.240 542 G CA 2.133 47.241 45.100 0.013 0.000 0.794 542 G HN 0.462 nan 8.290 nan 0.000 0.580 543 A N 0.107 122.927 122.820 0.001 0.000 1.892 543 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 543 A C 2.359 179.941 177.584 -0.003 0.000 1.188 543 A CA 2.311 54.344 52.037 -0.006 0.000 0.631 543 A CB -0.708 18.288 19.000 -0.006 0.000 0.822 543 A HN 0.508 nan 8.150 nan 0.000 0.447 544 Q N -1.197 118.606 119.800 0.005 0.000 2.014 544 Q HA -0.181 4.158 4.340 -0.001 0.000 0.207 544 Q C 2.303 178.305 176.000 0.004 0.000 0.993 544 Q CA 2.340 58.148 55.803 0.007 0.000 0.850 544 Q CB -0.508 28.238 28.738 0.014 0.000 0.916 544 Q HN 0.723 nan 8.270 nan 0.000 0.417 545 T N 1.566 116.124 114.554 0.007 0.000 2.759 545 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 545 T C 1.754 176.449 174.700 -0.008 0.000 1.042 545 T CA 1.352 63.455 62.100 0.005 0.000 1.140 545 T CB -0.279 68.598 68.868 0.015 0.000 0.864 545 T HN 0.244 nan 8.240 nan 0.000 0.455 546 L N 0.585 121.802 121.223 -0.011 0.000 2.217 546 L HA 0.021 4.360 4.340 -0.001 0.000 0.211 546 L C 2.303 179.156 176.870 -0.028 0.000 1.107 546 L CA 1.576 56.403 54.840 -0.022 0.000 0.783 546 L CB -0.497 41.548 42.059 -0.022 0.000 0.919 546 L HN 0.175 nan 8.230 nan 0.000 0.442 547 Q N -0.790 118.997 119.800 -0.021 0.000 2.062 547 Q HA -0.175 4.164 4.340 -0.001 0.000 0.196 547 Q C 2.235 178.219 176.000 -0.027 0.000 0.967 547 Q CA 1.727 57.516 55.803 -0.024 0.000 0.832 547 Q CB -0.116 28.613 28.738 -0.015 0.000 0.899 547 Q HN 0.657 nan 8.270 nan 0.000 0.442 548 Q N 0.536 120.325 119.800 -0.017 0.000 2.014 548 Q HA -0.193 4.147 4.340 -0.001 0.000 0.207 548 Q C 2.156 178.138 176.000 -0.030 0.000 0.993 548 Q CA 1.399 57.193 55.803 -0.015 0.000 0.850 548 Q CB -0.258 28.479 28.738 -0.002 0.000 0.916 548 Q HN 0.339 nan 8.270 nan 0.000 0.417 549 L N 0.451 121.656 121.223 -0.031 0.000 2.127 549 L HA -0.209 4.131 4.340 -0.001 0.000 0.211 549 L C 2.398 179.235 176.870 -0.055 0.000 1.089 549 L CA 0.503 55.318 54.840 -0.041 0.000 0.757 549 L CB -0.478 41.555 42.059 -0.043 0.000 0.899 549 L HN 0.361 nan 8.230 nan 0.000 0.434 550 L N 0.053 121.241 121.223 -0.058 0.000 2.012 550 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 550 L C 2.631 179.437 176.870 -0.107 0.000 1.073 550 L CA 2.387 57.184 54.840 -0.071 0.000 0.748 550 L CB -0.858 41.165 42.059 -0.060 0.000 0.891 550 L HN 0.283 nan 8.230 nan 0.000 0.431 551 A N -1.223 121.523 122.820 -0.124 0.000 1.970 551 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 551 A C 2.189 179.560 177.584 -0.354 0.000 1.170 551 A CA 1.113 53.007 52.037 -0.239 0.000 0.645 551 A CB -0.428 18.477 19.000 -0.158 0.000 0.816 551 A HN 0.598 nan 8.150 nan 0.000 0.447 552 Q N -0.019 119.682 119.800 -0.164 0.000 2.050 552 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 552 Q C 1.797 177.743 176.000 -0.090 0.000 0.980 552 Q CA 2.076 57.825 55.803 -0.089 0.000 0.840 552 Q CB -0.182 28.540 28.738 -0.026 0.000 0.898 552 Q HN 0.368 nan 8.270 nan 0.000 0.424 553 V N 1.205 121.072 119.914 -0.079 0.000 2.759 553 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 553 V C 2.424 178.491 176.094 -0.046 0.000 1.080 553 V CA 1.693 63.972 62.300 -0.035 0.000 1.101 553 V CB -0.342 31.480 31.823 -0.000 0.000 0.698 553 V HN 0.536 nan 8.190 nan 0.000 0.477 554 S N -0.426 115.189 115.700 -0.142 0.000 2.453 554 S HA -0.178 4.292 4.470 -0.001 0.000 0.231 554 S C 1.599 176.167 174.600 -0.052 0.000 1.005 554 S CA 1.113 59.240 58.200 -0.122 0.000 0.949 554 S CB -0.616 62.480 63.200 -0.172 0.000 0.774 554 S HN 0.786 nan 8.310 nan 0.000 0.510 555 H N 0.448 119.531 119.070 0.021 0.000 2.539 555 H HA 0.393 4.949 4.556 -0.001 0.000 0.267 555 H C 0.690 176.027 175.328 0.015 0.000 0.982 555 H CA -0.461 55.597 56.048 0.017 0.000 1.146 555 H CB 0.047 29.817 29.762 0.013 0.000 1.382 555 H HN 0.297 nan 8.280 nan 0.000 0.577 556 L N 0.000 121.286 121.223 0.104 0.000 2.949 556 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 556 L CA 0.000 54.879 54.840 0.065 0.000 0.813 556 L CB 0.000 42.082 42.059 0.038 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502