REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2jlc_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTPLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF 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 0.000 176.289 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 S N 1.851 117.556 115.700 0.008 0.000 2.629 2 S HA 0.211 4.615 4.470 -0.110 0.000 0.302 2 S C 1.063 175.687 174.600 0.039 0.000 1.244 2 S CA -0.115 58.099 58.200 0.023 0.000 1.098 2 S CB 0.122 63.342 63.200 0.035 0.000 0.858 2 S HN 0.334 nan 8.310 nan 0.000 0.502 3 V N 5.567 125.494 119.914 0.023 0.000 2.453 3 V HA -0.112 3.942 4.120 -0.110 0.000 0.247 3 V C 2.642 178.764 176.094 0.048 0.000 1.048 3 V CA 1.941 64.264 62.300 0.038 0.000 1.049 3 V CB -1.089 30.735 31.823 0.001 0.000 0.672 3 V HN 1.027 nan 8.190 nan 0.000 0.457 4 S N 1.354 117.063 115.700 0.015 0.000 2.400 4 S HA -0.166 4.238 4.470 -0.110 0.000 0.232 4 S C 2.005 176.602 174.600 -0.005 0.000 1.025 4 S CA 1.535 59.723 58.200 -0.020 0.000 0.993 4 S CB -0.414 62.772 63.200 -0.023 0.000 0.808 4 S HN 0.562 nan 8.310 nan 0.000 0.478 5 A N 0.452 123.294 122.820 0.037 0.000 1.935 5 A HA 0.255 4.509 4.320 -0.110 0.000 0.214 5 A C 1.905 179.534 177.584 0.075 0.000 1.178 5 A CA 0.859 52.926 52.037 0.050 0.000 0.640 5 A CB -0.918 18.120 19.000 0.063 0.000 0.825 5 A HN 0.573 nan 8.150 nan 0.000 0.447 6 F N 1.581 121.514 119.950 -0.028 0.000 2.186 6 F HA -0.144 4.362 4.527 -0.034 0.000 0.299 6 F C 1.950 177.753 175.800 0.005 0.000 1.090 6 F CA 1.580 59.547 58.000 -0.055 0.000 1.307 6 F CB -0.250 38.662 39.000 -0.146 0.000 1.019 6 F HN 0.185 nan 8.300 nan 0.000 0.489 7 N N 0.865 119.560 118.700 -0.007 0.000 2.069 7 N HA -0.240 4.434 4.740 -0.110 0.000 0.196 7 N C 1.963 177.473 175.510 0.000 0.000 1.024 7 N CA 1.910 54.973 53.050 0.022 0.000 0.869 7 N CB -0.488 37.999 38.487 0.000 0.000 1.035 7 N HN 0.362 nan 8.380 nan 0.000 0.434 8 R N 0.436 120.904 120.500 -0.052 0.000 2.066 8 R HA 0.078 4.352 4.340 -0.110 0.000 0.232 8 R C 2.204 178.527 176.300 0.039 0.000 1.131 8 R CA 0.853 56.944 56.100 -0.017 0.000 0.955 8 R CB -0.070 30.218 30.300 -0.019 0.000 0.851 8 R HN 0.229 nan 8.270 nan 0.000 0.432 9 R N 0.215 120.705 120.500 -0.016 0.000 2.117 9 R HA -0.217 4.057 4.340 -0.110 0.000 0.243 9 R C 1.986 178.405 176.300 0.200 0.000 1.143 9 R CA 1.245 57.398 56.100 0.087 0.000 0.968 9 R CB -0.694 29.650 30.300 0.074 0.000 0.863 9 R HN 0.517 nan 8.270 nan 0.000 0.444 10 W N 1.550 122.684 121.300 -0.277 0.000 2.354 10 W HA -0.153 4.446 4.660 -0.101 0.000 0.315 10 W C 2.070 178.688 176.519 0.167 0.000 1.206 10 W CA 1.795 59.071 57.345 -0.114 0.000 1.290 10 W CB -0.320 28.926 29.460 -0.356 0.000 1.152 10 W HN 0.123 nan 8.180 nan 0.000 0.489 11 A N 1.144 124.213 122.820 0.414 0.000 1.883 11 A HA -0.150 4.104 4.320 -0.110 0.000 0.217 11 A C 2.196 179.922 177.584 0.237 0.000 1.186 11 A CA 3.051 55.280 52.037 0.320 0.000 0.624 11 A CB -1.470 17.639 19.000 0.182 0.000 0.822 11 A HN 0.352 nan 8.150 nan 0.000 0.444 12 A N -0.637 122.325 122.820 0.237 0.000 1.948 12 A HA -0.076 4.178 4.320 -0.110 0.000 0.220 12 A C 2.228 180.066 177.584 0.423 0.000 1.177 12 A CA 2.034 54.248 52.037 0.295 0.000 0.636 12 A CB -0.979 18.164 19.000 0.239 0.000 0.815 12 A HN 0.467 nan 8.150 nan 0.000 0.449 13 V N 0.252 120.400 119.914 0.391 0.000 2.427 13 V HA -0.251 3.803 4.120 -0.110 0.000 0.248 13 V C 2.401 178.567 176.094 0.119 0.000 1.051 13 V CA 1.860 64.320 62.300 0.268 0.000 1.048 13 V CB -0.691 31.175 31.823 0.072 0.000 0.666 13 V HN 0.582 nan 8.190 nan 0.000 0.456 14 I N -0.509 120.109 120.570 0.079 0.000 2.142 14 I HA -0.268 3.836 4.170 -0.110 0.000 0.240 14 I C 2.386 178.603 176.117 0.166 0.000 1.078 14 I CA 1.734 63.072 61.300 0.064 0.000 1.343 14 I CB -0.399 37.650 38.000 0.081 0.000 1.046 14 I HN 0.253 nan 8.210 nan 0.000 0.405 15 L N 0.386 121.752 121.223 0.237 0.000 2.005 15 L HA -0.211 4.063 4.340 -0.110 0.000 0.207 15 L C 2.663 179.757 176.870 0.375 0.000 1.072 15 L CA 1.344 56.387 54.840 0.339 0.000 0.744 15 L CB -0.456 41.830 42.059 0.379 0.000 0.895 15 L HN 0.184 nan 8.230 nan 0.000 0.433 16 E N 0.349 120.735 120.200 0.311 0.000 2.160 16 E HA -0.236 4.048 4.350 -0.110 0.000 0.195 16 E C 2.038 178.757 176.600 0.198 0.000 0.991 16 E CA 1.449 57.974 56.400 0.207 0.000 0.810 16 E CB -0.108 29.770 29.700 0.296 0.000 0.742 16 E HN 0.406 nan 8.360 nan 0.000 0.466 17 A N 0.378 123.380 122.820 0.304 0.000 1.902 17 A HA -0.146 4.108 4.320 -0.110 0.000 0.217 17 A C 2.277 180.058 177.584 0.329 0.000 1.181 17 A CA 1.476 53.718 52.037 0.343 0.000 0.623 17 A CB -0.720 18.396 19.000 0.193 0.000 0.818 17 A HN 0.355 nan 8.150 nan 0.000 0.443 18 L N -0.648 120.752 121.223 0.294 0.000 2.131 18 L HA -0.151 4.123 4.340 -0.110 0.000 0.210 18 L C 2.657 179.692 176.870 0.275 0.000 1.092 18 L CA 1.560 56.590 54.840 0.317 0.000 0.759 18 L CB -0.998 41.239 42.059 0.298 0.000 0.903 18 L HN 0.341 nan 8.230 nan 0.000 0.435 19 T N -0.516 114.128 114.554 0.149 0.000 2.737 19 T HA -0.221 4.063 4.350 -0.110 0.000 0.269 19 T C 1.793 176.464 174.700 -0.049 0.000 1.040 19 T CA 1.332 63.408 62.100 -0.039 0.000 1.142 19 T CB -0.214 68.525 68.868 -0.215 0.000 0.861 19 T HN 0.230 nan 8.240 nan 0.000 0.456 20 R N 0.462 120.928 120.500 -0.057 0.000 2.313 20 R HA 0.104 4.378 4.340 -0.110 0.000 0.199 20 R C 1.128 177.211 176.300 -0.362 0.000 0.958 20 R CA 0.528 56.501 56.100 -0.213 0.000 1.047 20 R CB -0.060 30.102 30.300 -0.230 0.000 0.955 20 R HN 0.553 nan 8.270 nan 0.000 0.481 21 H N -1.819 117.266 119.070 0.026 0.000 2.662 21 H HA 0.281 4.771 4.556 -0.111 0.000 0.268 21 H C 0.760 176.099 175.328 0.018 0.000 1.152 21 H CA 0.421 56.484 56.048 0.026 0.000 1.072 21 H CB 1.312 31.096 29.762 0.037 0.000 1.660 21 H HN 0.327 nan 8.280 nan 0.000 0.584 22 G N 1.420 110.268 108.800 0.080 0.000 2.141 22 G HA2 -0.287 3.607 3.960 -0.110 0.000 0.242 22 G HA3 -0.287 3.607 3.960 -0.110 0.000 0.242 22 G C 0.273 175.212 174.900 0.065 0.000 0.982 22 G CA 0.208 45.334 45.100 0.043 0.000 0.662 22 G HN 0.200 nan 8.290 nan 0.000 0.527 23 V N 2.172 122.159 119.914 0.123 0.000 2.390 23 V HA 0.221 4.274 4.120 -0.110 0.000 0.260 23 V C 1.696 177.913 176.094 0.205 0.000 1.043 23 V CA 0.147 62.553 62.300 0.176 0.000 1.047 23 V CB 0.651 32.626 31.823 0.253 0.000 1.066 23 V HN 0.386 nan 8.190 nan 0.000 0.481 24 R N 1.942 122.493 120.500 0.084 0.000 2.103 24 R HA 0.169 4.442 4.340 -0.110 0.000 0.212 24 R C 0.631 176.970 176.300 0.065 0.000 1.107 24 R CA 0.450 56.550 56.100 0.000 0.000 1.025 24 R CB 0.003 30.163 30.300 -0.233 0.000 0.929 24 R HN 0.635 nan 8.270 nan 0.000 0.456 25 H N 0.770 119.937 119.070 0.160 0.000 2.610 25 H HA 0.306 4.796 4.556 -0.110 0.000 0.336 25 H C -0.214 175.132 175.328 0.030 0.000 1.087 25 H CA -0.030 56.103 56.048 0.142 0.000 1.405 25 H CB 1.440 31.272 29.762 0.117 0.000 1.460 25 H HN 0.072 nan 8.280 nan 0.000 0.538 26 I N 2.856 123.489 120.570 0.105 0.000 2.571 26 I HA 0.187 4.291 4.170 -0.110 0.000 0.289 26 I C -0.963 175.176 176.117 0.037 0.000 1.115 26 I CA -0.458 60.782 61.300 -0.101 0.000 1.045 26 I CB 0.833 38.495 38.000 -0.564 0.000 1.238 26 I HN 0.475 nan 8.210 nan 0.000 0.424 27 C N 7.780 127.095 119.300 0.026 0.000 2.295 27 C HA 0.610 5.004 4.460 -0.110 0.000 0.331 27 C C 0.068 175.083 174.990 0.041 0.000 1.280 27 C CA -0.522 58.532 59.018 0.060 0.000 1.746 27 C CB -0.059 27.687 27.740 0.010 0.000 2.328 27 C HN 0.487 nan 8.230 nan 0.000 0.521 28 I N 3.119 123.733 120.570 0.074 0.000 2.466 28 I HA 0.548 4.651 4.170 -0.110 0.000 0.289 28 I C 0.367 176.531 176.117 0.078 0.000 1.026 28 I CA -0.081 61.260 61.300 0.068 0.000 1.078 28 I CB 1.448 39.495 38.000 0.078 0.000 1.249 28 I HN 0.736 nan 8.210 nan 0.000 0.429 29 A N 8.214 131.074 122.820 0.068 0.000 2.282 29 A HA 0.883 5.137 4.320 -0.110 0.000 0.319 29 A C -2.507 175.122 177.584 0.074 0.000 1.121 29 A CA -1.448 50.631 52.037 0.069 0.000 0.836 29 A CB 0.406 19.440 19.000 0.058 0.000 1.146 29 A HN 0.438 nan 8.150 nan 0.000 0.494 30 P HA 0.582 nan 4.420 nan 0.000 0.276 30 P C 0.142 177.485 177.300 0.073 0.000 1.252 30 P CA 0.258 63.403 63.100 0.076 0.000 0.802 30 P CB 1.261 33.008 31.700 0.079 0.000 1.035 31 G N -1.355 107.489 108.800 0.073 0.000 2.337 31 G HA2 0.223 4.117 3.960 -0.110 0.000 0.298 31 G HA3 0.223 4.117 3.960 -0.110 0.000 0.298 31 G C -0.008 174.946 174.900 0.089 0.000 1.335 31 G CA 0.263 45.408 45.100 0.076 0.000 0.875 31 G HN 0.438 nan 8.290 nan 0.000 0.579 32 S N -1.402 114.354 115.700 0.095 0.000 2.545 32 S HA 0.063 4.467 4.470 -0.110 0.000 0.232 32 S C 2.083 176.707 174.600 0.039 0.000 1.070 32 S CA 1.181 59.460 58.200 0.132 0.000 0.923 32 S CB -0.031 63.274 63.200 0.175 0.000 0.806 32 S HN 0.572 nan 8.310 nan 0.000 0.506 33 R N 2.003 122.528 120.500 0.041 0.000 2.189 33 R HA 0.142 4.416 4.340 -0.110 0.000 0.218 33 R C 2.023 178.321 176.300 -0.003 0.000 1.074 33 R CA 1.694 57.811 56.100 0.028 0.000 0.991 33 R CB -0.640 29.710 30.300 0.084 0.000 0.883 33 R HN 0.497 nan 8.270 nan 0.000 0.457 34 S N -2.045 113.660 115.700 0.008 0.000 2.562 34 S HA -0.011 4.393 4.470 -0.110 0.000 0.221 34 S C 1.560 176.092 174.600 -0.113 0.000 0.975 34 S CA 0.640 58.835 58.200 -0.009 0.000 0.918 34 S CB -0.232 63.001 63.200 0.055 0.000 0.772 34 S HN 0.219 nan 8.310 nan 0.000 0.531 35 T N 4.011 118.485 114.554 -0.133 0.000 2.602 35 T HA -0.151 4.133 4.350 -0.110 0.000 0.264 35 T C -0.677 173.888 174.700 -0.224 0.000 1.085 35 T CA 2.470 64.480 62.100 -0.151 0.000 1.164 35 T CB -1.742 66.978 68.868 -0.247 0.000 0.860 35 T HN 0.448 nan 8.240 nan 0.000 0.442 36 P HA 0.012 nan 4.420 nan 0.000 0.215 36 P C 1.577 178.757 177.300 -0.199 0.000 1.153 36 P CA 0.913 63.767 63.100 -0.410 0.000 0.853 36 P CB -0.211 30.970 31.700 -0.865 0.000 0.788 37 L N -1.670 119.447 121.223 -0.178 0.000 2.056 37 L HA -0.136 4.138 4.340 -0.110 0.000 0.207 37 L C 2.351 179.241 176.870 0.033 0.000 1.078 37 L CA 1.707 56.556 54.840 0.015 0.000 0.749 37 L CB -1.618 40.492 42.059 0.086 0.000 0.901 37 L HN 0.001 nan 8.230 nan 0.000 0.433 38 T N 0.198 114.757 114.554 0.009 0.000 2.777 38 T HA -0.078 4.206 4.350 -0.110 0.000 0.266 38 T C 2.001 176.734 174.700 0.055 0.000 1.040 38 T CA 0.997 63.121 62.100 0.040 0.000 1.141 38 T CB -0.168 68.721 68.868 0.036 0.000 0.868 38 T HN 0.157 nan 8.240 nan 0.000 0.444 39 L N 0.842 122.083 121.223 0.031 0.000 2.042 39 L HA -0.148 4.126 4.340 -0.110 0.000 0.210 39 L C 3.059 179.976 176.870 0.078 0.000 1.076 39 L CA 1.494 56.361 54.840 0.044 0.000 0.749 39 L CB -0.833 41.238 42.059 0.019 0.000 0.893 39 L HN 0.265 nan 8.230 nan 0.000 0.432 40 A N 0.014 122.887 122.820 0.089 0.000 1.898 40 A HA -0.111 4.143 4.320 -0.110 0.000 0.216 40 A C 2.558 180.278 177.584 0.227 0.000 1.181 40 A CA 1.612 53.737 52.037 0.147 0.000 0.620 40 A CB -0.577 18.520 19.000 0.160 0.000 0.819 40 A HN 0.403 nan 8.150 nan 0.000 0.442 41 A N -0.014 122.935 122.820 0.214 0.000 1.877 41 A HA 0.144 4.398 4.320 -0.110 0.000 0.216 41 A C 2.522 180.378 177.584 0.453 0.000 1.186 41 A CA 2.167 54.376 52.037 0.286 0.000 0.620 41 A CB -1.081 17.975 19.000 0.093 0.000 0.822 41 A HN 1.066 nan 8.150 nan 0.000 0.443 42 A N -0.284 122.690 122.820 0.257 0.000 1.902 42 A HA -0.187 4.067 4.320 -0.110 0.000 0.217 42 A C 1.920 179.587 177.584 0.137 0.000 1.181 42 A CA 1.763 53.866 52.037 0.111 0.000 0.623 42 A CB -0.541 18.467 19.000 0.012 0.000 0.818 42 A HN 0.645 nan 8.150 nan 0.000 0.443 43 E N -0.109 120.181 120.200 0.150 0.000 2.106 43 E HA -0.111 4.173 4.350 -0.110 0.000 0.192 43 E C 0.454 177.144 176.600 0.150 0.000 0.984 43 E CA 0.278 56.749 56.400 0.118 0.000 0.806 43 E CB -0.107 29.647 29.700 0.090 0.000 0.750 43 E HN 0.462 nan 8.360 nan 0.000 0.458 44 N N 0.844 119.686 118.700 0.238 0.000 2.416 44 N HA -0.040 4.634 4.740 -0.110 0.000 0.265 44 N C 0.539 176.133 175.510 0.141 0.000 1.195 44 N CA 0.100 53.252 53.050 0.170 0.000 0.943 44 N CB 0.958 39.559 38.487 0.189 0.000 1.115 44 N HN 0.011 nan 8.380 nan 0.000 0.481 45 S N 2.495 118.218 115.700 0.039 0.000 2.481 45 S HA -0.062 4.342 4.470 -0.110 0.000 0.231 45 S C 1.709 176.277 174.600 -0.053 0.000 0.996 45 S CA 0.537 58.760 58.200 0.037 0.000 0.942 45 S CB -0.050 63.157 63.200 0.011 0.000 0.768 45 S HN 0.537 nan 8.310 nan 0.000 0.520 46 A N 0.392 123.079 122.820 -0.222 0.000 2.216 46 A HA 0.314 4.568 4.320 -0.110 0.000 0.214 46 A C 0.227 177.580 177.584 -0.385 0.000 1.160 46 A CA 0.327 52.154 52.037 -0.350 0.000 0.725 46 A CB -0.591 18.110 19.000 -0.498 0.000 0.784 46 A HN 0.469 nan 8.150 nan 0.000 0.472 47 F N -0.906 118.979 119.950 -0.109 0.000 2.425 47 F HA 0.564 5.024 4.527 -0.112 0.000 0.331 47 F C 0.156 175.773 175.800 -0.304 0.000 1.085 47 F CA -1.524 56.310 58.000 -0.277 0.000 1.028 47 F CB 1.136 39.836 39.000 -0.501 0.000 1.177 47 F HN -0.132 nan 8.300 nan 0.000 0.487 48 I N 3.126 123.677 120.570 -0.031 0.000 2.315 48 I HA 0.208 4.312 4.170 -0.110 0.000 0.291 48 I C -0.703 175.309 176.117 -0.175 0.000 1.006 48 I CA -0.457 60.814 61.300 -0.047 0.000 1.265 48 I CB 0.460 38.478 38.000 0.029 0.000 1.387 48 I HN 0.469 nan 8.210 nan 0.000 0.475 49 H N 5.122 124.130 119.070 -0.102 0.000 2.517 49 H HA 0.447 4.936 4.556 -0.111 0.000 0.317 49 H C -0.581 174.564 175.328 -0.304 0.000 1.080 49 H CA -0.374 55.609 56.048 -0.109 0.000 1.301 49 H CB 0.492 30.238 29.762 -0.027 0.000 1.425 49 H HN 0.444 nan 8.280 nan 0.000 0.471 50 H N 1.513 120.661 119.070 0.130 0.000 2.524 50 H HA 0.437 4.927 4.556 -0.110 0.000 0.353 50 H C -0.050 175.322 175.328 0.074 0.000 1.136 50 H CA -0.745 55.348 56.048 0.076 0.000 1.193 50 H CB 2.074 31.841 29.762 0.009 0.000 1.558 50 H HN 0.733 nan 8.280 nan 0.000 0.515 51 T N -0.403 114.260 114.554 0.181 0.000 2.906 51 T HA 0.497 4.781 4.350 -0.110 0.000 0.295 51 T C -0.908 173.908 174.700 0.194 0.000 1.061 51 T CA -0.763 61.432 62.100 0.158 0.000 1.000 51 T CB 2.877 71.825 68.868 0.133 0.000 1.103 51 T HN 0.742 nan 8.240 nan 0.000 0.486 52 H N 0.569 119.650 119.070 0.018 0.000 3.003 52 H HA 0.477 4.967 4.556 -0.110 0.000 0.327 52 H C -0.401 174.905 175.328 -0.037 0.000 1.353 52 H CA -1.399 54.597 56.048 -0.086 0.000 1.142 52 H CB 1.145 30.780 29.762 -0.213 0.000 1.864 52 H HN 0.622 nan 8.280 nan 0.000 0.529 53 F N -0.782 118.874 119.950 -0.490 0.000 2.717 53 F HA 0.334 4.794 4.527 -0.111 0.000 0.295 53 F C 0.192 175.817 175.800 -0.291 0.000 1.117 53 F CA -0.362 57.461 58.000 -0.294 0.000 1.361 53 F CB 0.434 39.308 39.000 -0.210 0.000 1.112 53 F HN 0.288 nan 8.300 nan 0.000 0.594 54 D N 1.534 121.399 120.400 -0.892 0.000 2.329 54 D HA 0.134 4.708 4.640 -0.110 0.000 0.232 54 D C 0.475 176.718 176.300 -0.095 0.000 1.088 54 D CA 0.011 53.827 54.000 -0.307 0.000 0.835 54 D CB 1.606 42.216 40.800 -0.317 0.000 1.078 54 D HN 0.209 nan 8.370 nan 0.000 0.495 55 E N 2.340 122.547 120.200 0.012 0.000 2.208 55 E HA -0.056 4.228 4.350 -0.110 0.000 0.193 55 E C 1.799 178.436 176.600 0.060 0.000 0.988 55 E CA 0.513 56.939 56.400 0.042 0.000 0.828 55 E CB 0.256 29.989 29.700 0.055 0.000 0.763 55 E HN 0.415 nan 8.360 nan 0.000 0.478 56 R N 0.049 120.606 120.500 0.094 0.000 2.081 56 R HA -0.100 4.174 4.340 -0.110 0.000 0.235 56 R C 2.205 178.630 176.300 0.208 0.000 1.131 56 R CA 1.565 57.748 56.100 0.139 0.000 0.960 56 R CB -0.445 29.965 30.300 0.184 0.000 0.856 56 R HN 0.269 nan 8.270 nan 0.000 0.436 57 G N 1.408 110.311 108.800 0.171 0.000 2.453 57 G HA2 -0.295 3.599 3.960 -0.110 0.000 0.215 57 G HA3 -0.295 3.599 3.960 -0.110 0.000 0.215 57 G C 1.340 176.290 174.900 0.083 0.000 1.201 57 G CA 0.750 45.935 45.100 0.142 0.000 0.784 57 G HN 0.331 nan 8.290 nan 0.000 0.545 58 L N 1.537 122.833 121.223 0.121 0.000 2.089 58 L HA -0.041 4.233 4.340 -0.110 0.000 0.213 58 L C 2.785 179.636 176.870 -0.031 0.000 1.079 58 L CA 2.473 57.335 54.840 0.037 0.000 0.758 58 L CB -0.723 41.370 42.059 0.056 0.000 0.891 58 L HN 0.207 nan 8.230 nan 0.000 0.433 59 G N -2.088 106.685 108.800 -0.044 0.000 2.421 59 G HA2 -0.301 3.593 3.960 -0.110 0.000 0.216 59 G HA3 -0.301 3.593 3.960 -0.110 0.000 0.216 59 G C 1.242 176.012 174.900 -0.216 0.000 1.171 59 G CA 1.094 46.101 45.100 -0.156 0.000 0.775 59 G HN 0.602 nan 8.290 nan 0.000 0.543 60 H N -0.746 118.266 119.070 -0.098 0.000 2.462 60 H HA 0.124 4.614 4.556 -0.110 0.000 0.292 60 H C 2.241 177.463 175.328 -0.176 0.000 1.049 60 H CA 0.730 56.704 56.048 -0.124 0.000 1.334 60 H CB 0.018 29.710 29.762 -0.116 0.000 1.404 60 H HN 0.286 nan 8.280 nan 0.000 0.544 61 L N 0.699 121.869 121.223 -0.089 0.000 1.989 61 L HA -0.150 4.124 4.340 -0.110 0.000 0.211 61 L C 2.375 179.109 176.870 -0.227 0.000 1.071 61 L CA 1.838 56.558 54.840 -0.200 0.000 0.749 61 L CB -0.821 41.105 42.059 -0.222 0.000 0.890 61 L HN 0.249 nan 8.230 nan 0.000 0.431 62 A N -0.776 121.935 122.820 -0.181 0.000 1.933 62 A HA -0.212 4.042 4.320 -0.110 0.000 0.218 62 A C 2.251 179.739 177.584 -0.160 0.000 1.175 62 A CA 1.896 53.829 52.037 -0.173 0.000 0.628 62 A CB -1.034 17.893 19.000 -0.121 0.000 0.814 62 A HN 0.509 nan 8.150 nan 0.000 0.444 63 L N 0.099 121.235 121.223 -0.144 0.000 1.989 63 L HA -0.098 4.176 4.340 -0.110 0.000 0.211 63 L C 2.458 179.254 176.870 -0.123 0.000 1.071 63 L CA 2.515 57.286 54.840 -0.115 0.000 0.749 63 L CB -1.040 40.966 42.059 -0.088 0.000 0.890 63 L HN 0.310 nan 8.230 nan 0.000 0.431 64 G N -0.715 107.984 108.800 -0.168 0.000 2.418 64 G HA2 -0.243 3.651 3.960 -0.110 0.000 0.217 64 G HA3 -0.243 3.651 3.960 -0.110 0.000 0.217 64 G C 1.618 176.356 174.900 -0.270 0.000 1.158 64 G CA 1.080 46.038 45.100 -0.237 0.000 0.771 64 G HN 0.438 nan 8.290 nan 0.000 0.545 65 L N 0.621 121.665 121.223 -0.299 0.000 2.042 65 L HA -0.101 4.173 4.340 -0.110 0.000 0.210 65 L C 3.371 180.126 176.870 -0.192 0.000 1.076 65 L CA 1.305 55.940 54.840 -0.342 0.000 0.749 65 L CB -0.320 41.449 42.059 -0.482 0.000 0.893 65 L HN 0.313 nan 8.230 nan 0.000 0.432 66 A N -0.543 122.198 122.820 -0.132 0.000 1.930 66 A HA -0.186 4.068 4.320 -0.110 0.000 0.215 66 A C 2.363 179.910 177.584 -0.061 0.000 1.176 66 A CA 1.344 53.342 52.037 -0.065 0.000 0.632 66 A CB -0.374 18.594 19.000 -0.052 0.000 0.819 66 A HN 0.282 nan 8.150 nan 0.000 0.445 67 K N -0.274 120.079 120.400 -0.078 0.000 2.160 67 K HA -0.126 4.128 4.320 -0.110 0.000 0.206 67 K C 1.585 178.151 176.600 -0.057 0.000 1.047 67 K CA 1.809 58.074 56.287 -0.036 0.000 0.930 67 K CB -0.120 32.365 32.500 -0.024 0.000 0.720 67 K HN 0.305 nan 8.250 nan 0.000 0.450 68 V N -0.056 119.754 119.914 -0.174 0.000 2.521 68 V HA -0.120 3.934 4.120 -0.110 0.000 0.239 68 V C 2.125 178.174 176.094 -0.075 0.000 1.053 68 V CA 1.538 63.706 62.300 -0.220 0.000 1.073 68 V CB 0.374 31.951 31.823 -0.410 0.000 0.746 68 V HN 0.460 nan 8.190 nan 0.000 0.476 69 S N -0.764 114.902 115.700 -0.056 0.000 2.481 69 S HA -0.151 4.253 4.470 -0.110 0.000 0.231 69 S C 1.176 175.786 174.600 0.016 0.000 0.996 69 S CA 0.591 58.797 58.200 0.009 0.000 0.942 69 S CB -0.271 62.979 63.200 0.082 0.000 0.768 69 S HN 0.488 nan 8.310 nan 0.000 0.520 70 K N 0.224 120.627 120.400 0.004 0.000 3.130 70 K HA -0.132 4.122 4.320 -0.110 0.000 0.282 70 K C -0.249 176.354 176.600 0.005 0.000 1.145 70 K CA 0.954 57.243 56.287 0.003 0.000 0.831 70 K CB -1.697 30.808 32.500 0.007 0.000 1.226 70 K HN 0.618 nan 8.250 nan 0.000 0.478 71 Q N -0.603 119.209 119.800 0.021 0.000 2.486 71 Q HA 0.513 4.787 4.340 -0.110 0.000 0.274 71 Q C -2.421 173.596 176.000 0.029 0.000 1.076 71 Q CA -1.830 53.989 55.803 0.027 0.000 0.872 71 Q CB 1.632 30.394 28.738 0.040 0.000 1.383 71 Q HN -0.079 nan 8.270 nan 0.000 0.478 72 P HA 0.272 nan 4.420 nan 0.000 0.288 72 P C -0.967 176.366 177.300 0.055 0.000 1.267 72 P CA -0.393 62.725 63.100 0.030 0.000 0.815 72 P CB 0.959 32.676 31.700 0.028 0.000 0.989 73 V N 2.102 122.036 119.914 0.032 0.000 2.459 73 V HA 0.656 4.709 4.120 -0.110 0.000 0.295 73 V C 0.391 176.489 176.094 0.006 0.000 1.029 73 V CA -0.881 61.444 62.300 0.041 0.000 0.874 73 V CB 1.397 33.225 31.823 0.008 0.000 0.985 73 V HN 0.699 nan 8.190 nan 0.000 0.438 74 A N 4.430 127.246 122.820 -0.007 0.000 2.304 74 A HA 0.829 5.083 4.320 -0.110 0.000 0.301 74 A C -0.520 177.034 177.584 -0.050 0.000 1.132 74 A CA -0.408 51.605 52.037 -0.041 0.000 0.819 74 A CB 1.056 19.993 19.000 -0.104 0.000 1.094 74 A HN 0.699 nan 8.150 nan 0.000 0.492 75 V N 2.472 122.368 119.914 -0.029 0.000 2.680 75 V HA 0.498 4.552 4.120 -0.110 0.000 0.309 75 V C -0.419 175.681 176.094 0.010 0.000 1.052 75 V CA -0.317 61.973 62.300 -0.016 0.000 0.908 75 V CB 1.738 33.550 31.823 -0.019 0.000 1.001 75 V HN 0.737 nan 8.190 nan 0.000 0.431 76 I N 4.555 125.137 120.570 0.020 0.000 2.447 76 I HA 0.645 4.749 4.170 -0.110 0.000 0.287 76 I C -0.602 175.553 176.117 0.063 0.000 1.023 76 I CA -0.803 60.527 61.300 0.050 0.000 1.083 76 I CB 1.978 40.001 38.000 0.040 0.000 1.245 76 I HN 0.532 nan 8.210 nan 0.000 0.434 77 V N 1.749 121.713 119.914 0.083 0.000 3.001 77 V HA 0.630 4.684 4.120 -0.110 0.000 0.314 77 V C -0.128 176.024 176.094 0.097 0.000 1.099 77 V CA -0.454 61.896 62.300 0.083 0.000 0.989 77 V CB 1.768 33.638 31.823 0.078 0.000 1.040 77 V HN 0.727 nan 8.190 nan 0.000 0.434 78 T N 1.548 116.155 114.554 0.088 0.000 2.753 78 T HA 0.446 4.730 4.350 -0.110 0.000 0.309 78 T C 0.591 175.347 174.700 0.094 0.000 1.043 78 T CA 0.402 62.558 62.100 0.093 0.000 0.964 78 T CB 0.728 69.643 68.868 0.079 0.000 1.206 78 T HN 1.574 nan 8.240 nan 0.000 0.528 79 S N -0.604 115.149 115.700 0.088 0.000 2.632 79 S HA 0.715 5.119 4.470 -0.110 0.000 0.267 79 S C 0.759 175.392 174.600 0.054 0.000 1.276 79 S CA -0.107 58.137 58.200 0.073 0.000 0.998 79 S CB 0.586 63.828 63.200 0.070 0.000 0.953 79 S HN 1.609 nan 8.310 nan 0.000 0.547 80 G N 0.812 109.635 108.800 0.037 0.000 2.443 80 G HA2 -0.174 3.720 3.960 -0.110 0.000 0.209 80 G HA3 -0.174 3.720 3.960 -0.110 0.000 0.209 80 G C 0.655 175.571 174.900 0.027 0.000 1.176 80 G CA 0.575 45.692 45.100 0.028 0.000 1.074 80 G HN 1.682 nan 8.290 nan 0.000 0.577 81 T N -0.504 114.072 114.554 0.036 0.000 3.007 81 T HA 0.334 4.618 4.350 -0.110 0.000 0.270 81 T C 2.518 177.256 174.700 0.063 0.000 1.107 81 T CA 2.260 64.388 62.100 0.047 0.000 1.118 81 T CB -0.340 68.558 68.868 0.052 0.000 0.889 81 T HN 2.011 nan 8.240 nan 0.000 0.506 82 A N 1.245 124.103 122.820 0.062 0.000 1.948 82 A HA -0.006 4.248 4.320 -0.110 0.000 0.220 82 A C 2.561 180.193 177.584 0.080 0.000 1.177 82 A CA 1.831 53.910 52.037 0.071 0.000 0.636 82 A CB -1.077 17.965 19.000 0.070 0.000 0.815 82 A HN 0.465 nan 8.150 nan 0.000 0.449 83 V N -0.516 119.442 119.914 0.074 0.000 2.379 83 V HA -0.153 3.901 4.120 -0.110 0.000 0.245 83 V C 3.013 179.200 176.094 0.156 0.000 1.044 83 V CA 1.658 64.016 62.300 0.096 0.000 1.036 83 V CB -1.156 30.679 31.823 0.021 0.000 0.664 83 V HN 0.607 nan 8.190 nan 0.000 0.453 84 A N 0.328 123.202 122.820 0.090 0.000 1.972 84 A HA -0.233 4.021 4.320 -0.110 0.000 0.219 84 A C 2.017 179.717 177.584 0.194 0.000 1.169 84 A CA 1.847 53.964 52.037 0.133 0.000 0.635 84 A CB -0.722 18.326 19.000 0.080 0.000 0.810 84 A HN 0.624 nan 8.150 nan 0.000 0.446 85 N N 0.046 118.830 118.700 0.139 0.000 2.443 85 N HA -0.077 4.597 4.740 -0.110 0.000 0.184 85 N C 1.300 176.862 175.510 0.086 0.000 1.037 85 N CA 1.044 54.169 53.050 0.124 0.000 0.896 85 N CB -0.228 38.322 38.487 0.104 0.000 0.959 85 N HN 0.535 nan 8.380 nan 0.000 0.442 86 L N -0.300 120.957 121.223 0.056 0.000 2.552 86 L HA -0.079 4.195 4.340 -0.110 0.000 0.227 86 L C 2.077 178.857 176.870 -0.150 0.000 1.146 86 L CA 0.242 55.031 54.840 -0.085 0.000 0.858 86 L CB -0.445 41.524 42.059 -0.151 0.000 0.969 86 L HN 0.086 nan 8.230 nan 0.000 0.451 87 Y N 1.750 121.952 120.300 -0.165 0.000 2.128 87 Y HA -0.128 4.357 4.550 -0.109 0.000 0.284 87 Y C -0.085 175.673 175.900 -0.238 0.000 1.154 87 Y CA 0.761 58.724 58.100 -0.228 0.000 1.149 87 Y CB -1.621 36.855 38.460 0.026 0.000 0.976 87 Y HN 0.129 nan 8.280 nan 0.000 0.505 88 P HA -0.222 nan 4.420 nan 0.000 0.213 88 P C 1.624 178.799 177.300 -0.208 0.000 1.170 88 P CA 2.805 65.846 63.100 -0.100 0.000 0.902 88 P CB -0.295 31.431 31.700 0.044 0.000 0.789 89 A N -0.846 121.716 122.820 -0.431 0.000 1.908 89 A HA -0.205 4.049 4.320 -0.110 0.000 0.218 89 A C 2.197 179.617 177.584 -0.273 0.000 1.181 89 A CA 1.746 53.476 52.037 -0.512 0.000 0.627 89 A CB -1.774 16.824 19.000 -0.670 0.000 0.818 89 A HN 0.177 nan 8.150 nan 0.000 0.445 90 L N -0.097 120.968 121.223 -0.263 0.000 2.012 90 L HA -0.171 4.103 4.340 -0.110 0.000 0.210 90 L C 2.241 179.032 176.870 -0.131 0.000 1.073 90 L CA 1.997 56.701 54.840 -0.226 0.000 0.748 90 L CB -0.415 41.407 42.059 -0.394 0.000 0.891 90 L HN 0.432 nan 8.230 nan 0.000 0.431 91 I N -0.538 119.939 120.570 -0.155 0.000 2.208 91 I HA -0.281 3.822 4.170 -0.110 0.000 0.245 91 I C 2.508 178.587 176.117 -0.064 0.000 1.097 91 I CA 1.522 62.736 61.300 -0.144 0.000 1.363 91 I CB -0.248 37.558 38.000 -0.323 0.000 1.051 91 I HN 0.393 nan 8.210 nan 0.000 0.413 92 E N 1.242 121.393 120.200 -0.082 0.000 2.047 92 E HA -0.184 4.100 4.350 -0.110 0.000 0.191 92 E C 2.153 178.737 176.600 -0.027 0.000 0.987 92 E CA 1.594 57.971 56.400 -0.039 0.000 0.799 92 E CB -0.255 29.431 29.700 -0.024 0.000 0.752 92 E HN 0.380 nan 8.360 nan 0.000 0.449 93 A N 0.432 123.220 122.820 -0.053 0.000 1.903 93 A HA -0.176 4.078 4.320 -0.110 0.000 0.219 93 A C 2.496 180.068 177.584 -0.020 0.000 1.191 93 A CA 2.112 54.123 52.037 -0.044 0.000 0.638 93 A CB -1.625 17.331 19.000 -0.072 0.000 0.823 93 A HN 0.439 nan 8.150 nan 0.000 0.451 94 G N -1.122 107.676 108.800 -0.004 0.000 2.498 94 G HA2 -0.024 3.870 3.960 -0.110 0.000 0.219 94 G HA3 -0.024 3.870 3.960 -0.110 0.000 0.219 94 G C 1.382 176.300 174.900 0.030 0.000 1.119 94 G CA 1.083 46.200 45.100 0.028 0.000 0.766 94 G HN 0.466 nan 8.290 nan 0.000 0.552 95 L N 0.002 121.238 121.223 0.022 0.000 2.515 95 L HA 0.167 4.441 4.340 -0.110 0.000 0.223 95 L C 2.663 179.542 176.870 0.015 0.000 1.079 95 L CA 1.291 56.144 54.840 0.022 0.000 0.857 95 L CB 0.467 42.539 42.059 0.022 0.000 1.050 95 L HN 0.319 nan 8.230 nan 0.000 0.476 96 T N -5.784 108.776 114.554 0.010 0.000 2.955 96 T HA 0.391 4.675 4.350 -0.110 0.000 0.251 96 T C 1.297 175.998 174.700 0.002 0.000 1.002 96 T CA 0.575 62.681 62.100 0.010 0.000 0.970 96 T CB 1.247 70.127 68.868 0.021 0.000 1.091 96 T HN 0.241 nan 8.240 nan 0.000 0.495 97 G N 1.010 109.805 108.800 -0.009 0.000 2.551 97 G HA2 -0.113 3.781 3.960 -0.110 0.000 0.186 97 G HA3 -0.113 3.781 3.960 -0.110 0.000 0.186 97 G C -0.331 174.546 174.900 -0.040 0.000 1.002 97 G CA -0.430 44.654 45.100 -0.026 0.000 0.723 97 G HN 0.509 nan 8.290 nan 0.000 0.481 98 E N 1.626 121.807 120.200 -0.031 0.000 2.608 98 E HA 0.311 4.595 4.350 -0.110 0.000 0.259 98 E C 0.313 176.884 176.600 -0.050 0.000 0.951 98 E CA 0.652 57.029 56.400 -0.040 0.000 0.945 98 E CB 0.415 30.090 29.700 -0.042 0.000 0.916 98 E HN 0.339 nan 8.360 nan 0.000 0.477 99 K N 3.496 123.867 120.400 -0.048 0.000 2.184 99 K HA 0.210 4.464 4.320 -0.110 0.000 0.259 99 K C -0.512 176.062 176.600 -0.042 0.000 1.119 99 K CA -0.136 56.121 56.287 -0.049 0.000 0.991 99 K CB 0.199 32.673 32.500 -0.044 0.000 1.522 99 K HN 0.330 nan 8.250 nan 0.000 0.405 100 L N 4.594 125.785 121.223 -0.053 0.000 2.264 100 L HA 0.359 4.633 4.340 -0.110 0.000 0.289 100 L C -0.120 176.728 176.870 -0.037 0.000 1.044 100 L CA -0.855 53.952 54.840 -0.055 0.000 0.807 100 L CB 0.875 42.881 42.059 -0.088 0.000 1.192 100 L HN 0.340 nan 8.230 nan 0.000 0.425 101 I N 5.827 126.386 120.570 -0.018 0.000 2.347 101 I HA 0.259 4.363 4.170 -0.110 0.000 0.283 101 I C 0.012 176.147 176.117 0.029 0.000 1.058 101 I CA -0.410 60.896 61.300 0.010 0.000 1.202 101 I CB 0.920 38.928 38.000 0.014 0.000 1.386 101 I HN 0.448 nan 8.210 nan 0.000 0.475 102 L N 6.609 127.869 121.223 0.062 0.000 2.282 102 L HA 0.407 4.681 4.340 -0.110 0.000 0.287 102 L C -0.013 176.967 176.870 0.183 0.000 1.075 102 L CA -0.330 54.565 54.840 0.092 0.000 0.839 102 L CB 0.173 42.263 42.059 0.051 0.000 1.219 102 L HN 0.339 nan 8.230 nan 0.000 0.434 103 L N 4.181 125.488 121.223 0.140 0.000 2.282 103 L HA 0.307 4.581 4.340 -0.110 0.000 0.287 103 L C 0.552 177.539 176.870 0.195 0.000 1.075 103 L CA -0.246 54.697 54.840 0.172 0.000 0.839 103 L CB 0.644 42.784 42.059 0.135 0.000 1.219 103 L HN 0.604 nan 8.230 nan 0.000 0.434 104 T N 0.287 114.992 114.554 0.252 0.000 2.788 104 T HA 0.674 4.958 4.350 -0.110 0.000 0.296 104 T C 0.206 175.042 174.700 0.227 0.000 1.009 104 T CA -0.742 61.498 62.100 0.234 0.000 0.949 104 T CB 1.574 70.601 68.868 0.265 0.000 0.946 104 T HN 0.549 nan 8.240 nan 0.000 0.453 105 A N 3.393 126.348 122.820 0.225 0.000 2.498 105 A HA 0.498 4.752 4.320 -0.110 0.000 0.239 105 A C 0.274 177.971 177.584 0.188 0.000 1.068 105 A CA -0.264 51.942 52.037 0.282 0.000 0.766 105 A CB 0.094 19.256 19.000 0.270 0.000 1.003 105 A HN 0.919 nan 8.150 nan 0.000 0.497 106 D N 0.188 120.681 120.400 0.155 0.000 2.547 106 D HA 0.421 4.995 4.640 -0.110 0.000 0.231 106 D C -0.217 176.125 176.300 0.069 0.000 1.099 106 D CA -0.613 53.434 54.000 0.079 0.000 0.901 106 D CB 1.156 41.971 40.800 0.024 0.000 1.478 106 D HN 0.406 nan 8.370 nan 0.000 0.471 107 R N 1.168 121.693 120.500 0.042 0.000 2.738 107 R HA 0.338 4.612 4.340 -0.110 0.000 0.268 107 R C -2.020 174.270 176.300 -0.017 0.000 1.062 107 R CA -1.313 54.800 56.100 0.022 0.000 1.158 107 R CB -0.908 29.400 30.300 0.014 0.000 1.046 107 R HN 0.314 nan 8.270 nan 0.000 0.493 108 P HA 0.161 nan 4.420 nan 0.000 0.276 108 P C -1.766 175.505 177.300 -0.049 0.000 1.252 108 P CA -1.437 61.625 63.100 -0.062 0.000 0.802 108 P CB 0.122 31.783 31.700 -0.065 0.000 1.035 109 P HA -0.267 nan 4.420 nan 0.000 0.219 109 P C 0.984 178.262 177.300 -0.038 0.000 1.161 109 P CA 1.924 64.996 63.100 -0.048 0.000 0.909 109 P CB -0.209 31.457 31.700 -0.056 0.000 0.793 110 E N -0.214 119.963 120.200 -0.039 0.000 2.219 110 E HA -0.137 4.147 4.350 -0.110 0.000 0.198 110 E C 1.660 178.247 176.600 -0.022 0.000 0.998 110 E CA 0.888 57.269 56.400 -0.031 0.000 0.818 110 E CB -1.008 28.673 29.700 -0.031 0.000 0.741 110 E HN 0.338 nan 8.360 nan 0.000 0.477 111 L N 0.799 122.011 121.223 -0.019 0.000 2.791 111 L HA 0.195 4.469 4.340 -0.110 0.000 0.239 111 L C -0.322 176.543 176.870 -0.009 0.000 1.203 111 L CA -0.426 54.408 54.840 -0.011 0.000 1.002 111 L CB 0.290 42.346 42.059 -0.005 0.000 1.295 111 L HN 0.045 nan 8.230 nan 0.000 0.504 112 I N -0.290 120.272 120.570 -0.013 0.000 2.437 112 I HA 0.245 4.349 4.170 -0.110 0.000 0.298 112 I C 0.325 176.436 176.117 -0.011 0.000 0.984 112 I CA -0.225 61.067 61.300 -0.012 0.000 1.214 112 I CB 1.308 39.298 38.000 -0.017 0.000 1.365 112 I HN 0.094 nan 8.210 nan 0.000 0.469 113 D N 3.490 123.885 120.400 -0.008 0.000 2.870 113 D HA -0.175 4.399 4.640 -0.110 0.000 0.228 113 D C 0.513 176.810 176.300 -0.006 0.000 1.147 113 D CA 1.036 55.032 54.000 -0.007 0.000 0.757 113 D CB -1.025 39.770 40.800 -0.009 0.000 1.091 113 D HN 0.846 nan 8.370 nan 0.000 0.429 114 C N -3.101 116.196 119.300 -0.005 0.000 3.359 114 C HA 0.690 5.084 4.460 -0.110 0.000 0.258 114 C C 1.599 176.588 174.990 -0.002 0.000 1.840 114 C CA 0.259 59.274 59.018 -0.004 0.000 1.746 114 C CB -0.095 27.642 27.740 -0.006 0.000 3.306 114 C HN 0.723 nan 8.230 nan 0.000 0.485 115 G N 1.663 110.462 108.800 -0.000 0.000 2.341 115 G HA2 0.134 4.028 3.960 -0.110 0.000 0.292 115 G HA3 0.134 4.028 3.960 -0.110 0.000 0.292 115 G C 0.409 175.311 174.900 0.004 0.000 1.021 115 G CA 0.611 45.713 45.100 0.002 0.000 0.905 115 G HN 1.742 nan 8.290 nan 0.000 0.508 116 A N -0.378 122.445 122.820 0.004 0.000 2.386 116 A HA 0.534 4.788 4.320 -0.110 0.000 0.248 116 A C 0.800 178.390 177.584 0.010 0.000 1.082 116 A CA 0.115 52.156 52.037 0.007 0.000 0.789 116 A CB 0.316 19.320 19.000 0.006 0.000 1.025 116 A HN 0.704 nan 8.150 nan 0.000 0.490 117 N N 1.005 119.713 118.700 0.014 0.000 2.497 117 N HA 0.017 4.691 4.740 -0.110 0.000 0.268 117 N C -0.013 175.510 175.510 0.021 0.000 1.171 117 N CA 0.454 53.515 53.050 0.017 0.000 0.948 117 N CB 0.243 38.741 38.487 0.020 0.000 1.069 117 N HN 0.763 nan 8.380 nan 0.000 0.460 118 Q N 1.028 120.841 119.800 0.022 0.000 2.470 118 Q HA -0.230 4.044 4.340 -0.110 0.000 0.294 118 Q C -1.696 174.319 176.000 0.025 0.000 1.356 118 Q CA 0.562 56.380 55.803 0.026 0.000 0.805 118 Q CB -1.231 27.527 28.738 0.034 0.000 1.157 118 Q HN 0.651 nan 8.270 nan 0.000 0.431 119 A N 1.461 124.291 122.820 0.017 0.000 2.466 119 A HA 0.693 4.947 4.320 -0.110 0.000 0.291 119 A C -0.201 177.385 177.584 0.004 0.000 1.234 119 A CA -0.536 51.508 52.037 0.012 0.000 0.752 119 A CB 0.555 19.560 19.000 0.009 0.000 1.153 119 A HN 0.512 nan 8.150 nan 0.000 0.458 120 I N -1.622 118.948 120.570 -0.000 0.000 3.133 120 I HA 0.763 4.867 4.170 -0.110 0.000 0.311 120 I C -0.157 175.948 176.117 -0.020 0.000 1.072 120 I CA -1.577 59.717 61.300 -0.011 0.000 1.015 120 I CB 1.533 39.523 38.000 -0.018 0.000 1.233 120 I HN 0.380 nan 8.210 nan 0.000 0.473 121 R N 2.125 122.608 120.500 -0.029 0.000 2.272 121 R HA 0.196 4.469 4.340 -0.110 0.000 0.334 121 R C 0.556 176.821 176.300 -0.059 0.000 1.117 121 R CA 0.044 56.122 56.100 -0.035 0.000 0.966 121 R CB 0.614 30.895 30.300 -0.031 0.000 1.049 121 R HN 0.649 nan 8.270 nan 0.000 0.477 122 Q N 2.558 122.329 119.800 -0.048 0.000 2.200 122 Q HA 0.092 4.366 4.340 -0.110 0.000 0.197 122 Q C -1.386 174.594 176.000 -0.033 0.000 0.953 122 Q CA 0.060 55.829 55.803 -0.056 0.000 0.851 122 Q CB -0.432 28.308 28.738 0.003 0.000 0.938 122 Q HN 0.384 nan 8.270 nan 0.000 0.488 123 P HA -0.010 nan 4.420 nan 0.000 0.265 123 P C 0.375 177.661 177.300 -0.024 0.000 1.193 123 P CA 1.491 64.571 63.100 -0.033 0.000 0.765 123 P CB 0.445 32.121 31.700 -0.039 0.000 0.823 124 G N 3.378 112.181 108.800 0.006 0.000 2.184 124 G HA2 -0.360 3.534 3.960 -0.110 0.000 0.264 124 G HA3 -0.360 3.534 3.960 -0.110 0.000 0.264 124 G C 0.808 175.685 174.900 -0.038 0.000 0.975 124 G CA 0.556 45.667 45.100 0.019 0.000 0.642 124 G HN 0.630 nan 8.290 nan 0.000 0.536 125 M N -1.751 117.738 119.600 -0.186 0.000 2.358 125 M HA 0.305 4.719 4.480 -0.110 0.000 0.264 125 M C 1.534 177.539 176.300 -0.491 0.000 1.064 125 M CA 1.587 56.655 55.300 -0.387 0.000 1.093 125 M CB -0.337 31.934 32.600 -0.548 0.000 1.401 125 M HN 0.105 nan 8.290 nan 0.000 0.440 126 F N 1.525 121.401 119.950 -0.122 0.000 2.639 126 F HA 0.658 5.119 4.527 -0.110 0.000 0.300 126 F C 1.595 177.546 175.800 0.251 0.000 1.109 126 F CA -0.336 57.562 58.000 -0.170 0.000 1.335 126 F CB -1.158 37.739 39.000 -0.173 0.000 1.014 126 F HN 0.419 nan 8.300 nan 0.000 0.537 127 A N 0.624 123.624 122.820 0.300 0.000 5.695 127 A HA -0.364 3.890 4.320 -0.110 0.000 0.297 127 A C 1.790 179.497 177.584 0.205 0.000 1.947 127 A CA 1.794 53.983 52.037 0.254 0.000 0.717 127 A CB -1.925 17.261 19.000 0.309 0.000 1.252 127 A HN 0.684 nan 8.150 nan 0.000 0.378 128 S N -0.800 114.946 115.700 0.076 0.000 2.650 128 S HA 0.069 4.473 4.470 -0.110 0.000 0.219 128 S C 1.249 175.833 174.600 -0.026 0.000 0.960 128 S CA 1.024 59.224 58.200 0.000 0.000 0.925 128 S CB -0.567 62.586 63.200 -0.077 0.000 0.775 128 S HN 0.698 nan 8.310 nan 0.000 0.525 129 H N 2.712 121.905 119.070 0.205 0.000 2.326 129 H HA 0.129 4.619 4.556 -0.110 0.000 0.301 129 H C -1.454 173.944 175.328 0.116 0.000 1.081 129 H CA 0.655 56.807 56.048 0.172 0.000 1.334 129 H CB -1.631 28.287 29.762 0.260 0.000 1.385 129 H HN 0.467 nan 8.280 nan 0.000 0.504 130 P HA 0.026 nan 4.420 nan 0.000 0.272 130 P C 0.641 178.002 177.300 0.101 0.000 1.223 130 P CA 0.325 63.513 63.100 0.147 0.000 0.784 130 P CB 1.099 32.930 31.700 0.217 0.000 0.923 131 T N 0.261 114.826 114.554 0.018 0.000 2.737 131 T HA -0.077 4.207 4.350 -0.110 0.000 0.265 131 T C 0.502 175.242 174.700 0.067 0.000 1.038 131 T CA 1.603 63.670 62.100 -0.055 0.000 1.144 131 T CB -0.444 68.270 68.868 -0.256 0.000 0.866 131 T HN 0.528 nan 8.240 nan 0.000 0.434 132 H N 0.012 119.112 119.070 0.050 0.000 2.637 132 H HA 0.685 5.175 4.556 -0.110 0.000 0.363 132 H C -0.878 174.497 175.328 0.078 0.000 1.131 132 H CA -1.273 54.803 56.048 0.048 0.000 1.183 132 H CB 1.627 31.390 29.762 0.001 0.000 1.637 132 H HN 0.014 nan 8.280 nan 0.000 0.531 133 S N 2.580 118.400 115.700 0.200 0.000 2.500 133 S HA 0.625 5.029 4.470 -0.110 0.000 0.301 133 S C 0.003 174.637 174.600 0.056 0.000 1.092 133 S CA -0.709 57.568 58.200 0.128 0.000 1.030 133 S CB 1.292 64.573 63.200 0.135 0.000 1.031 133 S HN 0.391 nan 8.310 nan 0.000 0.483 134 I N 1.992 122.557 120.570 -0.009 0.000 2.498 134 I HA 0.462 4.566 4.170 -0.110 0.000 0.290 134 I C -0.359 175.726 176.117 -0.053 0.000 1.032 134 I CA -0.406 60.893 61.300 -0.002 0.000 1.073 134 I CB 2.180 40.182 38.000 0.002 0.000 1.251 134 I HN 0.598 nan 8.210 nan 0.000 0.426 135 S N 7.566 123.272 115.700 0.010 0.000 2.542 135 S HA 0.514 4.918 4.470 -0.110 0.000 0.245 135 S C -0.538 174.110 174.600 0.080 0.000 1.325 135 S CA -0.606 57.587 58.200 -0.012 0.000 1.176 135 S CB 0.136 63.321 63.200 -0.025 0.000 1.045 135 S HN 0.451 nan 8.310 nan 0.000 0.481 136 L N 5.178 126.467 121.223 0.110 0.000 2.467 136 L HA 0.403 4.677 4.340 -0.110 0.000 0.270 136 L C -1.583 175.373 176.870 0.144 0.000 1.205 136 L CA -1.437 53.545 54.840 0.237 0.000 0.828 136 L CB 0.243 42.479 42.059 0.295 0.000 1.101 136 L HN 0.474 nan 8.230 nan 0.000 0.479 137 P HA 0.174 nan 4.420 nan 0.000 0.280 137 P C -0.941 176.294 177.300 -0.109 0.000 1.272 137 P CA -0.916 62.186 63.100 0.003 0.000 0.819 137 P CB 0.657 32.327 31.700 -0.050 0.000 1.122 138 R N 1.283 121.680 120.500 -0.171 0.000 2.537 138 R HA 0.083 4.356 4.340 -0.110 0.000 0.281 138 R C -1.949 174.092 176.300 -0.432 0.000 0.988 138 R CA -0.776 55.165 56.100 -0.265 0.000 1.077 138 R CB -0.704 29.481 30.300 -0.192 0.000 0.932 138 R HN 0.353 nan 8.270 nan 0.000 0.409 139 P HA 0.079 nan 4.420 nan 0.000 0.271 139 P C -1.024 175.953 177.300 -0.539 0.000 1.218 139 P CA -0.002 62.396 63.100 -1.169 0.000 0.780 139 P CB 1.338 32.294 31.700 -1.241 0.000 0.901 140 T N 0.674 115.003 114.554 -0.376 0.000 3.087 140 T HA 0.096 4.380 4.350 -0.110 0.000 0.351 140 T C 0.413 174.909 174.700 -0.340 0.000 1.520 140 T CA -0.398 61.496 62.100 -0.344 0.000 1.111 140 T CB 0.899 69.631 68.868 -0.226 0.000 1.353 140 T HN 0.310 nan 8.240 nan 0.000 0.481 141 Q N 1.005 120.334 119.800 -0.784 0.000 2.291 141 Q HA -0.069 4.205 4.340 -0.110 0.000 0.205 141 Q C 0.734 176.740 176.000 0.010 0.000 0.970 141 Q CA 1.248 56.722 55.803 -0.549 0.000 0.876 141 Q CB 0.192 28.570 28.738 -0.600 0.000 0.935 141 Q HN 0.587 nan 8.270 nan 0.000 0.455 142 D N -0.114 120.267 120.400 -0.032 0.000 2.371 142 D HA -0.001 4.573 4.640 -0.110 0.000 0.221 142 D C 0.017 176.391 176.300 0.124 0.000 0.986 142 D CA 0.723 54.748 54.000 0.042 0.000 0.899 142 D CB 0.227 41.009 40.800 -0.030 0.000 0.902 142 D HN 0.264 nan 8.370 nan 0.000 0.530 143 I N 2.814 123.534 120.570 0.251 0.000 2.321 143 I HA 0.184 4.288 4.170 -0.110 0.000 0.291 143 I C -2.180 174.299 176.117 0.604 0.000 0.998 143 I CA -2.153 59.346 61.300 0.331 0.000 1.227 143 I CB 1.975 40.152 38.000 0.294 0.000 1.368 143 I HN -0.300 nan 8.210 nan 0.000 0.466 144 P HA 0.111 nan 4.420 nan 0.000 0.275 144 P C 0.317 177.608 177.300 -0.015 0.000 1.228 144 P CA -0.274 62.933 63.100 0.178 0.000 0.786 144 P CB 1.426 33.152 31.700 0.043 0.000 0.927 145 A N 4.489 126.894 122.820 -0.691 0.000 1.940 145 A HA -0.240 4.014 4.320 -0.110 0.000 0.219 145 A C 2.195 179.311 177.584 -0.780 0.000 1.176 145 A CA 1.850 53.280 52.037 -1.013 0.000 0.631 145 A CB -1.092 16.956 19.000 -1.587 0.000 0.814 145 A HN 0.697 nan 8.150 nan 0.000 0.446 146 R N -1.853 118.192 120.500 -0.759 0.000 2.139 146 R HA -0.235 4.039 4.340 -0.110 0.000 0.243 146 R C 2.005 178.021 176.300 -0.474 0.000 1.145 146 R CA 1.829 57.411 56.100 -0.864 0.000 0.976 146 R CB -0.785 29.250 30.300 -0.442 0.000 0.866 146 R HN 0.656 nan 8.270 nan 0.000 0.449 147 W N 1.330 122.432 121.300 -0.329 0.000 2.388 147 W HA -0.090 4.508 4.660 -0.103 0.000 0.294 147 W C 1.847 178.229 176.519 -0.228 0.000 1.212 147 W CA 0.797 58.032 57.345 -0.183 0.000 1.271 147 W CB -0.168 29.258 29.460 -0.056 0.000 1.126 147 W HN 0.120 nan 8.180 nan 0.000 0.535 148 L N 0.441 121.516 121.223 -0.247 0.000 1.988 148 L HA -0.131 4.143 4.340 -0.110 0.000 0.207 148 L C 2.475 178.992 176.870 -0.589 0.000 1.071 148 L CA 2.241 56.806 54.840 -0.459 0.000 0.744 148 L CB -1.734 40.053 42.059 -0.454 0.000 0.893 148 L HN 0.024 nan 8.230 nan 0.000 0.433 149 V N -1.120 118.417 119.914 -0.628 0.000 2.407 149 V HA -0.269 3.785 4.120 -0.110 0.000 0.248 149 V C 2.517 178.371 176.094 -0.399 0.000 1.055 149 V CA 2.190 64.149 62.300 -0.568 0.000 1.049 149 V CB -0.207 31.061 31.823 -0.924 0.000 0.662 149 V HN 0.640 nan 8.190 nan 0.000 0.455 150 S N -0.317 115.122 115.700 -0.435 0.000 2.382 150 S HA -0.199 4.205 4.470 -0.110 0.000 0.228 150 S C 1.904 176.335 174.600 -0.282 0.000 1.027 150 S CA 1.982 60.042 58.200 -0.233 0.000 0.991 150 S CB -0.515 62.565 63.200 -0.200 0.000 0.823 150 S HN 0.770 nan 8.310 nan 0.000 0.469 151 T N 2.339 116.562 114.554 -0.551 0.000 2.708 151 T HA -0.007 4.277 4.350 -0.110 0.000 0.266 151 T C 1.745 176.288 174.700 -0.261 0.000 1.037 151 T CA 1.155 62.937 62.100 -0.530 0.000 1.146 151 T CB -0.388 67.881 68.868 -0.999 0.000 0.865 151 T HN 0.232 nan 8.240 nan 0.000 0.435 152 I N 1.547 121.961 120.570 -0.260 0.000 2.142 152 I HA -0.161 3.943 4.170 -0.110 0.000 0.240 152 I C 2.312 178.350 176.117 -0.133 0.000 1.078 152 I CA 1.336 62.543 61.300 -0.156 0.000 1.343 152 I CB -0.396 37.533 38.000 -0.117 0.000 1.046 152 I HN 0.097 nan 8.210 nan 0.000 0.405 153 D N -0.628 119.749 120.400 -0.039 0.000 2.123 153 D HA -0.266 4.308 4.640 -0.110 0.000 0.196 153 D C 2.056 178.371 176.300 0.025 0.000 0.992 153 D CA 1.697 55.753 54.000 0.092 0.000 0.833 153 D CB -0.432 40.496 40.800 0.213 0.000 0.954 153 D HN 0.490 nan 8.370 nan 0.000 0.455 154 H N 0.765 119.798 119.070 -0.061 0.000 2.290 154 H HA -0.029 4.461 4.556 -0.110 0.000 0.298 154 H C 1.856 177.161 175.328 -0.038 0.000 1.087 154 H CA 2.428 58.442 56.048 -0.057 0.000 1.291 154 H CB -0.278 29.419 29.762 -0.108 0.000 1.369 154 H HN 0.045 nan 8.280 nan 0.000 0.492 155 A N 0.039 122.701 122.820 -0.263 0.000 1.933 155 A HA -0.063 4.190 4.320 -0.110 0.000 0.218 155 A C 2.337 179.884 177.584 -0.062 0.000 1.175 155 A CA 1.623 53.590 52.037 -0.118 0.000 0.628 155 A CB -0.669 18.336 19.000 0.008 0.000 0.814 155 A HN 0.432 nan 8.150 nan 0.000 0.444 156 L N -0.780 120.306 121.223 -0.228 0.000 2.209 156 L HA 0.105 4.379 4.340 -0.110 0.000 0.207 156 L C 2.622 179.388 176.870 -0.173 0.000 1.094 156 L CA 1.477 56.123 54.840 -0.323 0.000 0.790 156 L CB -0.583 41.000 42.059 -0.793 0.000 0.932 156 L HN 0.383 nan 8.230 nan 0.000 0.447 157 G N -1.667 107.080 108.800 -0.089 0.000 2.448 157 G HA2 -0.184 3.710 3.960 -0.110 0.000 0.218 157 G HA3 -0.184 3.710 3.960 -0.110 0.000 0.218 157 G C 1.483 176.398 174.900 0.025 0.000 1.135 157 G CA 1.133 46.267 45.100 0.057 0.000 0.784 157 G HN 0.433 nan 8.290 nan 0.000 0.543 158 T N -1.777 112.764 114.554 -0.022 0.000 3.086 158 T HA 0.316 4.600 4.350 -0.110 0.000 0.250 158 T C 0.792 175.533 174.700 0.067 0.000 1.074 158 T CA -0.490 61.634 62.100 0.039 0.000 0.988 158 T CB 0.129 69.002 68.868 0.008 0.000 0.988 158 T HN -0.021 nan 8.240 nan 0.000 0.530 159 L N 3.076 124.288 121.223 -0.018 0.000 2.600 159 L HA 0.284 4.558 4.340 -0.110 0.000 0.278 159 L C 1.242 178.108 176.870 -0.008 0.000 1.139 159 L CA 0.015 54.793 54.840 -0.102 0.000 0.933 159 L CB -0.049 41.931 42.059 -0.130 0.000 1.266 159 L HN 0.294 nan 8.230 nan 0.000 0.471 160 H N 4.047 123.068 119.070 -0.081 0.000 2.363 160 H HA 0.426 4.916 4.556 -0.110 0.000 0.301 160 H C 0.246 175.543 175.328 -0.050 0.000 1.074 160 H CA 0.984 57.005 56.048 -0.046 0.000 1.354 160 H CB 0.465 30.208 29.762 -0.031 0.000 1.397 160 H HN 0.680 nan 8.280 nan 0.000 0.516 161 A N -1.723 121.076 122.820 -0.035 0.000 2.597 161 A HA 0.563 4.817 4.320 -0.110 0.000 0.292 161 A C 0.011 177.558 177.584 -0.060 0.000 1.057 161 A CA -0.162 51.834 52.037 -0.068 0.000 0.674 161 A CB 0.418 19.398 19.000 -0.033 0.000 1.278 161 A HN 0.978 nan 8.150 nan 0.000 0.416 162 G N -0.824 107.942 108.800 -0.056 0.000 2.698 162 G HA2 0.480 4.374 3.960 -0.110 0.000 0.225 162 G HA3 0.480 4.374 3.960 -0.110 0.000 0.225 162 G C 0.512 175.374 174.900 -0.064 0.000 1.345 162 G CA 0.062 45.133 45.100 -0.048 0.000 0.871 162 G HN 2.356 nan 8.290 nan 0.000 0.540 163 G N -1.768 107.004 108.800 -0.047 0.000 2.477 163 G HA2 0.705 4.599 3.960 -0.110 0.000 0.304 163 G HA3 0.705 4.599 3.960 -0.110 0.000 0.304 163 G C -0.616 174.271 174.900 -0.021 0.000 1.175 163 G CA 0.180 45.254 45.100 -0.045 0.000 0.907 163 G HN 1.462 nan 8.290 nan 0.000 0.509 164 V N 0.951 120.870 119.914 0.009 0.000 2.531 164 V HA 0.292 4.346 4.120 -0.110 0.000 0.301 164 V C -0.542 175.649 176.094 0.163 0.000 1.034 164 V CA -0.782 61.562 62.300 0.073 0.000 0.865 164 V CB 1.503 33.348 31.823 0.037 0.000 0.995 164 V HN 0.894 nan 8.190 nan 0.000 0.424 165 H N 5.947 125.083 119.070 0.111 0.000 2.556 165 H HA 0.599 5.089 4.556 -0.109 0.000 0.310 165 H C -1.056 174.352 175.328 0.132 0.000 1.057 165 H CA -0.808 55.339 56.048 0.165 0.000 1.264 165 H CB 1.022 30.966 29.762 0.303 0.000 1.404 165 H HN 0.568 nan 8.280 nan 0.000 0.462 166 I N 5.286 125.976 120.570 0.200 0.000 2.437 166 I HA 0.061 4.165 4.170 -0.110 0.000 0.279 166 I C -0.290 175.848 176.117 0.036 0.000 1.028 166 I CA -0.637 60.681 61.300 0.031 0.000 1.142 166 I CB 1.076 39.122 38.000 0.076 0.000 1.266 166 I HN 0.583 nan 8.210 nan 0.000 0.461 167 N N 5.006 123.599 118.700 -0.179 0.000 2.514 167 N HA 0.302 4.976 4.740 -0.110 0.000 0.277 167 N C -1.132 174.386 175.510 0.013 0.000 1.126 167 N CA -0.036 52.979 53.050 -0.060 0.000 0.978 167 N CB 0.804 39.181 38.487 -0.184 0.000 1.106 167 N HN 0.530 nan 8.380 nan 0.000 0.461 168 C N 5.572 124.895 119.300 0.039 0.000 2.814 168 C HA 0.418 4.812 4.460 -0.110 0.000 0.269 168 C C -2.425 172.354 174.990 -0.351 0.000 1.090 168 C CA -1.449 57.514 59.018 -0.091 0.000 1.492 168 C CB 0.393 28.187 27.740 0.089 0.000 1.825 168 C HN 0.654 nan 8.230 nan 0.000 0.442 169 P HA 0.349 nan 4.420 nan 0.000 0.268 169 P C -0.807 176.023 177.300 -0.783 0.000 1.205 169 P CA 0.312 63.193 63.100 -0.364 0.000 0.771 169 P CB 0.312 31.875 31.700 -0.229 0.000 0.858 170 F N 0.749 120.665 119.950 -0.057 0.000 2.569 170 F HA 0.587 5.045 4.527 -0.115 0.000 0.312 170 F C 0.224 175.971 175.800 -0.089 0.000 1.109 170 F CA -1.022 56.919 58.000 -0.098 0.000 0.919 170 F CB 1.467 40.423 39.000 -0.073 0.000 1.211 170 F HN 0.188 nan 8.300 nan 0.000 0.446 171 A N 1.912 124.768 122.820 0.060 0.000 2.310 171 A HA 0.602 4.856 4.320 -0.110 0.000 0.299 171 A C -0.422 177.173 177.584 0.018 0.000 1.147 171 A CA -0.653 51.392 52.037 0.012 0.000 0.818 171 A CB 0.231 19.212 19.000 -0.033 0.000 1.096 171 A HN 0.797 nan 8.150 nan 0.000 0.495 172 E N 2.051 122.254 120.200 0.004 0.000 2.257 172 E HA 0.415 4.699 4.350 -0.110 0.000 0.278 172 E C -2.442 174.152 176.600 -0.009 0.000 1.049 172 E CA -1.051 55.343 56.400 -0.010 0.000 0.876 172 E CB 0.339 30.040 29.700 0.003 0.000 1.035 172 E HN 0.387 nan 8.360 nan 0.000 0.419 173 P HA 0.237 nan 4.420 nan 0.000 0.304 173 P C -0.430 176.826 177.300 -0.074 0.000 1.435 173 P CA -0.476 62.616 63.100 -0.012 0.000 1.011 173 P CB 1.174 32.877 31.700 0.005 0.000 0.994 174 L N 1.425 122.542 121.223 -0.176 0.000 2.354 174 L HA 0.166 4.440 4.340 -0.110 0.000 0.212 174 L C 0.036 176.591 176.870 -0.524 0.000 1.091 174 L CA 0.757 55.334 54.840 -0.438 0.000 0.828 174 L CB -0.207 41.430 42.059 -0.703 0.000 0.973 174 L HN 0.339 nan 8.230 nan 0.000 0.461 175 Y N -0.494 119.800 120.300 -0.010 0.000 2.409 175 Y HA 0.735 5.221 4.550 -0.107 0.000 0.343 175 Y C 0.517 176.416 175.900 -0.002 0.000 0.973 175 Y CA -0.952 57.143 58.100 -0.008 0.000 1.064 175 Y CB 1.848 40.303 38.460 -0.008 0.000 1.207 175 Y HN -0.110 nan 8.280 nan 0.000 0.452 176 G N 0.900 109.787 108.800 0.145 0.000 2.349 176 G HA2 0.250 4.144 3.960 -0.110 0.000 0.294 176 G HA3 0.250 4.144 3.960 -0.110 0.000 0.294 176 G C -1.885 173.053 174.900 0.064 0.000 1.380 176 G CA -1.178 43.972 45.100 0.084 0.000 0.811 176 G HN 0.528 nan 8.290 nan 0.000 0.519 177 E N -0.128 120.100 120.200 0.046 0.000 2.351 177 E HA 0.268 4.552 4.350 -0.110 0.000 0.266 177 E C 0.628 177.250 176.600 0.036 0.000 1.031 177 E CA -0.447 55.975 56.400 0.037 0.000 0.911 177 E CB 0.495 30.212 29.700 0.029 0.000 0.986 177 E HN 0.413 nan 8.360 nan 0.000 0.446 178 M N 6.059 125.680 119.600 0.035 0.000 3.139 178 M HA -0.030 4.384 4.480 -0.110 0.000 0.266 178 M C -0.218 176.101 176.300 0.032 0.000 1.598 178 M CA 0.343 55.663 55.300 0.033 0.000 1.645 178 M CB -0.694 31.923 32.600 0.028 0.000 1.395 178 M HN 0.453 nan 8.290 nan 0.000 0.504 179 D N 1.860 122.282 120.400 0.037 0.000 2.303 179 D HA -0.146 4.428 4.640 -0.110 0.000 0.233 179 D C -0.178 176.150 176.300 0.047 0.000 1.313 179 D CA 0.879 54.903 54.000 0.040 0.000 0.883 179 D CB 0.679 41.506 40.800 0.044 0.000 1.220 179 D HN 0.724 nan 8.370 nan 0.000 0.490 180 D N -0.369 120.060 120.400 0.050 0.000 2.894 180 D HA 0.062 4.636 4.640 -0.110 0.000 0.248 180 D C 1.006 177.360 176.300 0.091 0.000 1.291 180 D CA -0.239 53.798 54.000 0.062 0.000 0.840 180 D CB 0.152 40.981 40.800 0.049 0.000 1.044 180 D HN 0.088 nan 8.370 nan 0.000 0.484 181 T N -0.414 114.201 114.554 0.101 0.000 2.720 181 T HA -0.058 4.226 4.350 -0.110 0.000 0.268 181 T C 1.647 176.465 174.700 0.197 0.000 1.037 181 T CA 1.757 63.929 62.100 0.120 0.000 1.144 181 T CB -0.123 68.810 68.868 0.108 0.000 0.864 181 T HN 0.534 nan 8.240 nan 0.000 0.444 182 G N 0.139 109.115 108.800 0.293 0.000 3.690 182 G HA2 0.351 4.245 3.960 -0.110 0.000 0.283 182 G HA3 0.351 4.245 3.960 -0.110 0.000 0.283 182 G C 1.165 176.331 174.900 0.443 0.000 1.057 182 G CA -0.251 45.125 45.100 0.460 0.000 0.821 182 G HN 0.474 nan 8.290 nan 0.000 0.526 183 L N 0.850 122.234 121.223 0.268 0.000 2.027 183 L HA -0.063 4.211 4.340 -0.110 0.000 0.206 183 L C 2.782 179.781 176.870 0.215 0.000 1.074 183 L CA 2.515 57.468 54.840 0.188 0.000 0.745 183 L CB -0.173 41.947 42.059 0.101 0.000 0.898 183 L HN 0.217 nan 8.230 nan 0.000 0.433 184 S N -1.547 114.287 115.700 0.223 0.000 2.428 184 S HA -0.218 4.186 4.470 -0.110 0.000 0.230 184 S C 1.653 176.415 174.600 0.271 0.000 1.014 184 S CA 0.712 59.035 58.200 0.205 0.000 0.957 184 S CB -1.167 62.130 63.200 0.161 0.000 0.784 184 S HN 0.744 nan 8.310 nan 0.000 0.499 185 W N 2.429 123.832 121.300 0.171 0.000 2.335 185 W HA -0.102 4.503 4.660 -0.091 0.000 0.311 185 W C 2.364 179.014 176.519 0.219 0.000 1.213 185 W CA 1.680 59.153 57.345 0.213 0.000 1.274 185 W CB -0.381 29.282 29.460 0.338 0.000 1.148 185 W HN 0.299 nan 8.180 nan 0.000 0.498 186 Q N -0.494 119.540 119.800 0.391 0.000 2.172 186 Q HA -0.218 4.056 4.340 -0.110 0.000 0.200 186 Q C 2.152 178.382 176.000 0.383 0.000 0.964 186 Q CA 1.559 57.565 55.803 0.338 0.000 0.855 186 Q CB -0.327 28.654 28.738 0.405 0.000 0.918 186 Q HN 0.469 nan 8.270 nan 0.000 0.444 187 Q N -0.199 119.755 119.800 0.257 0.000 2.436 187 Q HA -0.034 4.240 4.340 -0.110 0.000 0.209 187 Q C 1.619 177.726 176.000 0.177 0.000 0.965 187 Q CA 0.230 56.178 55.803 0.242 0.000 0.910 187 Q CB 0.214 29.049 28.738 0.163 0.000 0.980 187 Q HN 0.138 nan 8.270 nan 0.000 0.491 188 R N 0.473 121.020 120.500 0.079 0.000 2.200 188 R HA -0.097 4.177 4.340 -0.110 0.000 0.234 188 R C 1.648 177.961 176.300 0.022 0.000 1.127 188 R CA 0.900 57.010 56.100 0.016 0.000 0.989 188 R CB -0.338 29.908 30.300 -0.090 0.000 0.869 188 R HN 0.371 nan 8.270 nan 0.000 0.459 189 L N -0.329 120.889 121.223 -0.008 0.000 2.599 189 L HA 0.091 4.365 4.340 -0.110 0.000 0.230 189 L C 1.438 178.528 176.870 0.366 0.000 1.141 189 L CA 0.362 55.203 54.840 0.003 0.000 0.877 189 L CB -0.793 41.024 42.059 -0.404 0.000 1.009 189 L HN 0.248 nan 8.230 nan 0.000 0.447 190 G N 2.343 111.336 108.800 0.322 0.000 2.594 190 G HA2 -0.433 3.461 3.960 -0.110 0.000 0.297 190 G HA3 -0.433 3.461 3.960 -0.110 0.000 0.297 190 G C 0.433 175.545 174.900 0.354 0.000 1.273 190 G CA 0.572 45.852 45.100 0.300 0.000 0.974 190 G HN 0.586 nan 8.290 nan 0.000 0.552 191 D N -0.222 120.333 120.400 0.258 0.000 2.338 191 D HA 0.033 4.607 4.640 -0.110 0.000 0.239 191 D C 1.542 177.965 176.300 0.206 0.000 1.095 191 D CA 1.044 55.171 54.000 0.212 0.000 0.888 191 D CB -0.486 40.388 40.800 0.123 0.000 0.899 191 D HN 0.585 nan 8.370 nan 0.000 0.525 192 W N 0.487 121.841 121.300 0.090 0.000 2.325 192 W HA -0.130 4.465 4.660 -0.108 0.000 0.299 192 W C 1.197 177.676 176.519 -0.066 0.000 1.215 192 W CA 1.249 58.601 57.345 0.011 0.000 1.244 192 W CB -0.512 28.997 29.460 0.082 0.000 1.140 192 W HN 0.040 nan 8.180 nan 0.000 0.523 193 W N -0.175 121.185 121.300 0.099 0.000 2.392 193 W HA -0.178 4.413 4.660 -0.115 0.000 0.279 193 W C 1.776 178.161 176.519 -0.224 0.000 1.225 193 W CA 1.118 58.391 57.345 -0.120 0.000 1.233 193 W CB -0.625 28.869 29.460 0.056 0.000 1.122 193 W HN -0.123 nan 8.180 nan 0.000 0.561 194 Q N -0.171 119.659 119.800 0.049 0.000 2.201 194 Q HA 0.093 4.367 4.340 -0.110 0.000 0.217 194 Q C -0.346 175.589 176.000 -0.108 0.000 0.860 194 Q CA 0.252 56.044 55.803 -0.020 0.000 0.984 194 Q CB 0.090 28.845 28.738 0.029 0.000 1.095 194 Q HN -0.008 nan 8.270 nan 0.000 0.477 195 D N -0.376 119.880 120.400 -0.238 0.000 2.506 195 D HA 0.172 4.746 4.640 -0.110 0.000 0.254 195 D C -0.118 175.997 176.300 -0.308 0.000 1.089 195 D CA -0.456 53.403 54.000 -0.236 0.000 1.050 195 D CB 1.290 41.960 40.800 -0.216 0.000 1.221 195 D HN 0.026 nan 8.370 nan 0.000 0.589 196 D N -0.713 119.550 120.400 -0.228 0.000 2.527 196 D HA 0.075 4.649 4.640 -0.110 0.000 0.224 196 D C -0.143 176.048 176.300 -0.181 0.000 1.217 196 D CA -0.190 53.682 54.000 -0.213 0.000 0.819 196 D CB 0.265 40.975 40.800 -0.150 0.000 1.061 196 D HN -0.037 nan 8.370 nan 0.000 0.515 197 K N 1.430 121.739 120.400 -0.153 0.000 2.098 197 K HA 0.432 4.686 4.320 -0.110 0.000 0.257 197 K C -2.481 174.111 176.600 -0.015 0.000 0.999 197 K CA -2.040 54.196 56.287 -0.086 0.000 0.924 197 K CB 0.675 33.150 32.500 -0.042 0.000 1.028 197 K HN 0.002 nan 8.250 nan 0.000 0.466 198 P HA -0.074 nan 4.420 nan 0.000 0.269 198 P C 0.696 178.207 177.300 0.352 0.000 1.217 198 P CA -0.100 63.079 63.100 0.132 0.000 0.783 198 P CB 0.471 32.161 31.700 -0.017 0.000 0.898 199 W N 3.253 124.676 121.300 0.205 0.000 2.355 199 W HA -0.058 4.540 4.660 -0.104 0.000 0.309 199 W C -0.163 176.306 176.519 -0.084 0.000 1.206 199 W CA 1.104 58.372 57.345 -0.129 0.000 1.284 199 W CB -0.172 28.918 29.460 -0.616 0.000 1.145 199 W HN 0.177 nan 8.180 nan 0.000 0.502 200 L N 1.980 123.292 121.223 0.147 0.000 2.349 200 L HA 0.444 4.718 4.340 -0.110 0.000 0.278 200 L C -0.563 176.352 176.870 0.076 0.000 0.996 200 L CA -0.596 54.273 54.840 0.048 0.000 0.825 200 L CB 1.521 43.640 42.059 0.100 0.000 1.243 200 L HN -0.183 nan 8.230 nan 0.000 0.412 201 R N 4.291 124.808 120.500 0.028 0.000 2.207 201 R HA 0.433 4.707 4.340 -0.110 0.000 0.334 201 R C -0.751 175.580 176.300 0.051 0.000 1.013 201 R CA -0.344 55.782 56.100 0.044 0.000 0.858 201 R CB 1.090 31.394 30.300 0.007 0.000 1.094 201 R HN 0.625 nan 8.270 nan 0.000 0.457 202 E N 2.347 122.595 120.200 0.080 0.000 2.621 202 E HA 0.320 4.604 4.350 -0.110 0.000 0.263 202 E C -1.431 175.214 176.600 0.075 0.000 1.033 202 E CA -0.320 56.127 56.400 0.079 0.000 0.778 202 E CB 1.272 31.041 29.700 0.114 0.000 1.426 202 E HN 0.749 nan 8.360 nan 0.000 0.394 203 A N 4.928 127.785 122.820 0.061 0.000 3.308 203 A HA 0.356 4.610 4.320 -0.110 0.000 0.275 203 A C -2.292 175.324 177.584 0.053 0.000 0.950 203 A CA -0.903 51.170 52.037 0.061 0.000 0.987 203 A CB 0.080 19.116 19.000 0.059 0.000 1.146 203 A HN 0.415 nan 8.150 nan 0.000 0.488 204 P HA 0.225 nan 4.420 nan 0.000 0.268 204 P C -0.411 176.922 177.300 0.055 0.000 1.205 204 P CA 0.101 63.228 63.100 0.045 0.000 0.771 204 P CB 0.637 32.361 31.700 0.041 0.000 0.858 205 R N 1.317 121.846 120.500 0.048 0.000 2.410 205 R HA 0.502 4.776 4.340 -0.110 0.000 0.288 205 R C -0.304 176.016 176.300 0.034 0.000 1.051 205 R CA -0.890 55.248 56.100 0.062 0.000 1.021 205 R CB 0.684 31.018 30.300 0.056 0.000 1.032 205 R HN 0.383 nan 8.270 nan 0.000 0.481 206 L N 2.060 123.295 121.223 0.020 0.000 2.325 206 L HA 0.395 4.669 4.340 -0.110 0.000 0.281 206 L C -1.011 175.839 176.870 -0.034 0.000 1.004 206 L CA 0.068 54.863 54.840 -0.075 0.000 0.823 206 L CB 1.431 43.328 42.059 -0.269 0.000 1.236 206 L HN 0.702 nan 8.230 nan 0.000 0.415 207 E N 2.876 123.071 120.200 -0.009 0.000 2.335 207 E HA 0.443 4.727 4.350 -0.110 0.000 0.280 207 E C -1.214 175.405 176.600 0.031 0.000 0.918 207 E CA -0.525 55.895 56.400 0.035 0.000 0.765 207 E CB 1.678 31.415 29.700 0.063 0.000 1.218 207 E HN 0.639 nan 8.360 nan 0.000 0.425 208 S N 1.902 117.633 115.700 0.052 0.000 2.596 208 S HA 0.087 4.491 4.470 -0.110 0.000 0.260 208 S C -0.078 174.574 174.600 0.086 0.000 1.336 208 S CA -0.294 57.941 58.200 0.058 0.000 0.993 208 S CB 0.823 64.065 63.200 0.070 0.000 0.923 208 S HN 0.518 nan 8.310 nan 0.000 0.567 209 E N 0.518 120.760 120.200 0.069 0.000 2.227 209 E HA 0.213 4.497 4.350 -0.110 0.000 0.268 209 E C -0.399 176.253 176.600 0.087 0.000 0.990 209 E CA -0.744 55.691 56.400 0.057 0.000 0.856 209 E CB 0.722 30.439 29.700 0.029 0.000 1.159 209 E HN 0.412 nan 8.360 nan 0.000 0.401 210 K N 2.395 122.809 120.400 0.024 0.000 2.477 210 K HA -0.120 4.133 4.320 -0.110 0.000 0.275 210 K C -0.580 176.082 176.600 0.103 0.000 1.054 210 K CA 0.279 56.547 56.287 -0.032 0.000 1.135 210 K CB 0.392 32.809 32.500 -0.138 0.000 0.854 210 K HN 0.340 nan 8.250 nan 0.000 0.484 211 Q N 4.504 124.503 119.800 0.333 0.000 2.348 211 Q HA 0.024 4.298 4.340 -0.110 0.000 0.251 211 Q C 0.357 176.546 176.000 0.315 0.000 1.113 211 Q CA 0.380 56.358 55.803 0.293 0.000 0.902 211 Q CB 0.871 29.786 28.738 0.294 0.000 1.333 211 Q HN 0.543 nan 8.270 nan 0.000 0.457 212 R N 1.297 121.914 120.500 0.195 0.000 2.299 212 R HA -0.059 4.215 4.340 -0.110 0.000 0.197 212 R C 0.431 176.833 176.300 0.168 0.000 0.971 212 R CA 0.654 56.820 56.100 0.111 0.000 1.030 212 R CB 0.480 30.800 30.300 0.033 0.000 0.932 212 R HN 0.512 nan 8.270 nan 0.000 0.477 213 D N -0.657 119.959 120.400 0.360 0.000 2.388 213 D HA -0.130 4.444 4.640 -0.110 0.000 0.221 213 D C 1.177 177.912 176.300 0.725 0.000 1.133 213 D CA -0.369 53.908 54.000 0.461 0.000 0.831 213 D CB -0.554 40.545 40.800 0.500 0.000 0.962 213 D HN 0.292 nan 8.370 nan 0.000 0.502 214 W N 0.635 122.268 121.300 0.555 0.000 2.342 214 W HA -0.235 4.360 4.660 -0.110 0.000 0.297 214 W C 0.411 177.317 176.519 0.645 0.000 1.213 214 W CA 0.532 58.293 57.345 0.695 0.000 1.251 214 W CB -0.164 29.697 29.460 0.668 0.000 1.136 214 W HN -0.126 nan 8.180 nan 0.000 0.526 215 F N 0.116 120.115 119.950 0.081 0.000 2.216 215 F HA -0.157 4.304 4.527 -0.110 0.000 0.300 215 F C 2.223 177.947 175.800 -0.127 0.000 1.085 215 F CA 0.933 58.853 58.000 -0.134 0.000 1.326 215 F CB -1.891 37.111 39.000 0.002 0.000 1.027 215 F HN -0.088 nan 8.300 nan 0.000 0.497 216 F N -1.073 118.897 119.950 0.034 0.000 2.149 216 F HA -0.101 4.360 4.527 -0.110 0.000 0.294 216 F C 2.060 177.706 175.800 -0.257 0.000 1.095 216 F CA 1.109 59.008 58.000 -0.168 0.000 1.276 216 F CB -0.907 37.937 39.000 -0.259 0.000 1.023 216 F HN -0.113 nan 8.300 nan 0.000 0.480 217 W N 1.874 123.095 121.300 -0.131 0.000 2.374 217 W HA -0.145 4.449 4.660 -0.110 0.000 0.288 217 W C 2.615 178.891 176.519 -0.404 0.000 1.218 217 W CA 1.547 58.733 57.345 -0.266 0.000 1.245 217 W CB -0.382 29.140 29.460 0.103 0.000 1.126 217 W HN 0.045 nan 8.180 nan 0.000 0.545 218 R N 0.143 120.258 120.500 -0.641 0.000 2.237 218 R HA -0.083 4.191 4.340 -0.110 0.000 0.219 218 R C 1.350 177.438 176.300 -0.354 0.000 1.080 218 R CA 1.033 56.603 56.100 -0.883 0.000 0.995 218 R CB -0.511 28.778 30.300 -1.685 0.000 0.875 218 R HN 0.175 nan 8.270 nan 0.000 0.462 219 Q N 0.681 120.291 119.800 -0.316 0.000 2.360 219 Q HA 0.170 4.444 4.340 -0.110 0.000 0.202 219 Q C -0.188 175.710 176.000 -0.169 0.000 0.915 219 Q CA 0.434 56.102 55.803 -0.224 0.000 0.943 219 Q CB 0.564 29.147 28.738 -0.258 0.000 1.064 219 Q HN 0.237 nan 8.270 nan 0.000 0.511 220 K N 0.813 121.120 120.400 -0.155 0.000 2.090 220 K HA 0.285 4.539 4.320 -0.110 0.000 0.250 220 K C 0.130 176.571 176.600 -0.265 0.000 1.004 220 K CA -0.639 55.498 56.287 -0.251 0.000 0.919 220 K CB 0.852 33.185 32.500 -0.279 0.000 1.045 220 K HN -0.063 nan 8.250 nan 0.000 0.471 221 R N 0.758 120.929 120.500 -0.548 0.000 2.413 221 R HA 0.105 4.379 4.340 -0.110 0.000 0.333 221 R C 0.420 176.018 176.300 -1.169 0.000 1.074 221 R CA 0.060 55.496 56.100 -1.107 0.000 0.982 221 R CB -0.151 29.306 30.300 -1.405 0.000 0.981 221 R HN 0.618 nan 8.270 nan 0.000 0.452 222 G N 1.169 108.928 108.800 -1.736 0.000 2.473 222 G HA2 0.532 4.426 3.960 -0.110 0.000 0.321 222 G HA3 0.532 4.426 3.960 -0.110 0.000 0.321 222 G C -1.071 173.233 174.900 -0.993 0.000 1.200 222 G CA -0.435 43.438 45.100 -2.045 0.000 0.963 222 G HN 0.293 nan 8.290 nan 0.000 0.483 223 V N 0.545 120.243 119.914 -0.361 0.000 2.540 223 V HA 0.427 4.481 4.120 -0.110 0.000 0.302 223 V C -0.183 176.049 176.094 0.230 0.000 1.035 223 V CA -0.684 61.682 62.300 0.110 0.000 0.873 223 V CB 1.794 33.743 31.823 0.210 0.000 0.992 223 V HN 0.550 nan 8.190 nan 0.000 0.428 224 V N 5.400 125.533 119.914 0.366 0.000 2.407 224 V HA 0.434 4.488 4.120 -0.110 0.000 0.278 224 V C -0.109 176.126 176.094 0.234 0.000 1.037 224 V CA -0.480 62.043 62.300 0.371 0.000 0.900 224 V CB 1.607 33.722 31.823 0.486 0.000 0.983 224 V HN 0.602 nan 8.190 nan 0.000 0.459 225 V N 4.171 124.195 119.914 0.184 0.000 2.384 225 V HA 0.730 4.784 4.120 -0.110 0.000 0.287 225 V C 0.367 176.527 176.094 0.109 0.000 1.020 225 V CA -0.549 61.842 62.300 0.152 0.000 0.850 225 V CB 1.584 33.521 31.823 0.190 0.000 0.987 225 V HN 0.965 nan 8.190 nan 0.000 0.436 226 A N 3.924 126.799 122.820 0.092 0.000 2.256 226 A HA 0.843 5.097 4.320 -0.110 0.000 0.317 226 A C 0.518 178.122 177.584 0.034 0.000 1.318 226 A CA 0.145 52.215 52.037 0.055 0.000 0.894 226 A CB 0.838 19.872 19.000 0.057 0.000 1.165 226 A HN 0.964 nan 8.150 nan 0.000 0.525 227 G N 0.784 109.595 108.800 0.018 0.000 2.849 227 G HA2 0.425 4.319 3.960 -0.110 0.000 0.174 227 G HA3 0.425 4.319 3.960 -0.110 0.000 0.174 227 G C 0.127 175.020 174.900 -0.012 0.000 1.370 227 G CA -0.838 44.266 45.100 0.007 0.000 1.040 227 G HN 0.814 nan 8.290 nan 0.000 0.582 228 R N 0.436 120.925 120.500 -0.018 0.000 2.484 228 R HA 0.336 4.610 4.340 -0.110 0.000 0.293 228 R C -0.040 176.240 176.300 -0.034 0.000 1.023 228 R CA 0.663 56.746 56.100 -0.028 0.000 1.037 228 R CB -0.203 30.085 30.300 -0.019 0.000 0.951 228 R HN 0.600 nan 8.270 nan 0.000 0.418 229 M N 0.459 120.032 119.600 -0.044 0.000 3.084 229 M HA 0.293 4.707 4.480 -0.110 0.000 0.273 229 M C -0.732 175.535 176.300 -0.055 0.000 1.242 229 M CA -1.068 54.206 55.300 -0.044 0.000 0.819 229 M CB 1.469 34.042 32.600 -0.046 0.000 1.625 229 M HN 0.460 nan 8.290 nan 0.000 0.493 230 S N 0.766 116.440 115.700 -0.042 0.000 2.603 230 S HA 0.626 5.030 4.470 -0.110 0.000 0.268 230 S C 1.107 175.672 174.600 -0.059 0.000 1.317 230 S CA -0.082 58.091 58.200 -0.045 0.000 1.012 230 S CB 1.290 64.482 63.200 -0.015 0.000 0.926 230 S HN 1.063 nan 8.310 nan 0.000 0.539 231 A N 1.869 124.643 122.820 -0.076 0.000 1.881 231 A HA -0.193 4.061 4.320 -0.110 0.000 0.219 231 A C 2.205 179.767 177.584 -0.036 0.000 1.215 231 A CA 1.964 53.960 52.037 -0.069 0.000 0.648 231 A CB -1.276 17.673 19.000 -0.084 0.000 0.832 231 A HN 0.908 nan 8.150 nan 0.000 0.455 232 E N -0.210 119.974 120.200 -0.026 0.000 2.118 232 E HA -0.198 4.086 4.350 -0.110 0.000 0.195 232 E C 1.968 178.563 176.600 -0.010 0.000 0.992 232 E CA 1.456 57.847 56.400 -0.014 0.000 0.804 232 E CB -0.436 29.258 29.700 -0.009 0.000 0.741 232 E HN 0.804 nan 8.360 nan 0.000 0.458 233 E N -0.062 120.127 120.200 -0.017 0.000 2.077 233 E HA -0.140 4.144 4.350 -0.110 0.000 0.193 233 E C 2.184 178.775 176.600 -0.014 0.000 0.989 233 E CA 0.940 57.327 56.400 -0.021 0.000 0.800 233 E CB -0.324 29.357 29.700 -0.033 0.000 0.746 233 E HN 0.304 nan 8.360 nan 0.000 0.452 234 G N 2.061 110.853 108.800 -0.013 0.000 2.513 234 G HA2 -0.326 3.568 3.960 -0.110 0.000 0.219 234 G HA3 -0.326 3.568 3.960 -0.110 0.000 0.219 234 G C 1.464 176.377 174.900 0.022 0.000 1.160 234 G CA 1.038 46.139 45.100 0.002 0.000 0.767 234 G HN 0.143 nan 8.290 nan 0.000 0.571 235 K N 0.340 120.750 120.400 0.018 0.000 2.026 235 K HA -0.060 4.194 4.320 -0.110 0.000 0.208 235 K C 2.610 179.239 176.600 0.049 0.000 1.048 235 K CA 1.344 57.649 56.287 0.030 0.000 0.929 235 K CB -0.176 32.337 32.500 0.021 0.000 0.713 235 K HN 0.170 nan 8.250 nan 0.000 0.439 236 K N 0.730 121.154 120.400 0.039 0.000 2.063 236 K HA -0.133 4.121 4.320 -0.110 0.000 0.208 236 K C 2.050 178.709 176.600 0.098 0.000 1.048 236 K CA 1.189 57.509 56.287 0.055 0.000 0.928 236 K CB -0.221 32.288 32.500 0.015 0.000 0.713 236 K HN -0.078 nan 8.250 nan 0.000 0.442 237 V N 0.851 120.807 119.914 0.070 0.000 2.343 237 V HA -0.258 3.796 4.120 -0.110 0.000 0.247 237 V C 2.221 178.453 176.094 0.230 0.000 1.051 237 V CA 2.018 64.393 62.300 0.124 0.000 1.036 237 V CB -0.630 31.231 31.823 0.062 0.000 0.654 237 V HN 0.404 nan 8.190 nan 0.000 0.451 238 A N -0.295 122.613 122.820 0.147 0.000 1.877 238 A HA -0.145 4.109 4.320 -0.110 0.000 0.216 238 A C 2.209 179.871 177.584 0.130 0.000 1.186 238 A CA 1.714 53.827 52.037 0.128 0.000 0.620 238 A CB -0.528 18.517 19.000 0.076 0.000 0.822 238 A HN 0.488 nan 8.150 nan 0.000 0.443 239 L N -2.656 118.645 121.223 0.130 0.000 2.046 239 L HA -0.212 4.062 4.340 -0.110 0.000 0.208 239 L C 2.534 179.498 176.870 0.156 0.000 1.077 239 L CA 1.701 56.609 54.840 0.113 0.000 0.747 239 L CB -0.506 41.611 42.059 0.098 0.000 0.896 239 L HN 0.753 nan 8.230 nan 0.000 0.432 240 W N 0.784 122.093 121.300 0.015 0.000 2.355 240 W HA -0.242 4.353 4.660 -0.110 0.000 0.309 240 W C 2.567 179.073 176.519 -0.021 0.000 1.206 240 W CA 2.010 59.364 57.345 0.015 0.000 1.284 240 W CB -0.174 29.321 29.460 0.059 0.000 1.145 240 W HN 0.105 nan 8.180 nan 0.000 0.502 241 A N -0.175 122.774 122.820 0.216 0.000 1.902 241 A HA -0.289 3.965 4.320 -0.110 0.000 0.217 241 A C 2.023 179.550 177.584 -0.096 0.000 1.181 241 A CA 1.963 54.017 52.037 0.029 0.000 0.623 241 A CB -1.202 17.933 19.000 0.226 0.000 0.818 241 A HN 0.568 nan 8.150 nan 0.000 0.443 242 Q N -0.761 119.022 119.800 -0.030 0.000 2.084 242 Q HA -0.164 4.110 4.340 -0.110 0.000 0.202 242 Q C 2.042 177.970 176.000 -0.120 0.000 0.978 242 Q CA 2.084 57.855 55.803 -0.055 0.000 0.844 242 Q CB -0.336 28.391 28.738 -0.018 0.000 0.898 242 Q HN 0.588 nan 8.270 nan 0.000 0.426 243 T N 1.744 116.209 114.554 -0.149 0.000 2.652 243 T HA -0.166 4.118 4.350 -0.110 0.000 0.267 243 T C 1.809 176.325 174.700 -0.307 0.000 1.039 243 T CA 1.470 63.453 62.100 -0.194 0.000 1.153 243 T CB -0.303 68.457 68.868 -0.181 0.000 0.863 243 T HN 0.275 nan 8.240 nan 0.000 0.428 244 L N 0.333 121.243 121.223 -0.522 0.000 2.261 244 L HA 0.010 4.284 4.340 -0.110 0.000 0.216 244 L C 2.107 178.685 176.870 -0.486 0.000 1.114 244 L CA 0.976 55.356 54.840 -0.767 0.000 0.777 244 L CB -0.729 40.424 42.059 -1.510 0.000 0.910 244 L HN 0.614 nan 8.230 nan 0.000 0.440 245 G N -2.118 106.541 108.800 -0.235 0.000 2.143 245 G HA2 -0.230 3.664 3.960 -0.110 0.000 0.249 245 G HA3 -0.230 3.664 3.960 -0.110 0.000 0.249 245 G C -0.251 174.774 174.900 0.208 0.000 0.981 245 G CA -0.327 44.769 45.100 -0.008 0.000 0.665 245 G HN 0.141 nan 8.290 nan 0.000 0.528 246 W N 1.012 122.303 121.300 -0.016 0.000 2.381 246 W HA 0.568 5.162 4.660 -0.110 0.000 0.329 246 W C -1.762 174.704 176.519 -0.089 0.000 1.157 246 W CA -3.205 54.160 57.345 0.033 0.000 1.240 246 W CB 0.091 29.636 29.460 0.142 0.000 1.199 246 W HN -0.002 nan 8.180 nan 0.000 0.579 247 P HA 0.040 nan 4.420 nan 0.000 0.267 247 P C -0.602 176.756 177.300 0.097 0.000 1.205 247 P CA -0.161 62.904 63.100 -0.059 0.000 0.765 247 P CB 0.950 32.512 31.700 -0.230 0.000 0.828 248 L N 5.401 126.680 121.223 0.093 0.000 2.257 248 L HA 0.365 4.639 4.340 -0.110 0.000 0.290 248 L C -0.323 176.628 176.870 0.136 0.000 1.044 248 L CA -0.457 54.467 54.840 0.139 0.000 0.810 248 L CB -0.048 42.090 42.059 0.133 0.000 1.193 248 L HN 0.228 nan 8.230 nan 0.000 0.425 249 I N 5.608 126.260 120.570 0.137 0.000 2.301 249 I HA 0.393 4.497 4.170 -0.110 0.000 0.292 249 I C 0.786 176.958 176.117 0.091 0.000 1.046 249 I CA -0.101 61.270 61.300 0.118 0.000 1.282 249 I CB 0.843 38.865 38.000 0.036 0.000 1.409 249 I HN 0.783 nan 8.210 nan 0.000 0.484 250 G N 4.060 112.909 108.800 0.082 0.000 2.417 250 G HA2 0.307 4.201 3.960 -0.110 0.000 0.320 250 G HA3 0.307 4.201 3.960 -0.110 0.000 0.320 250 G C -0.902 174.015 174.900 0.028 0.000 1.204 250 G CA -0.423 44.711 45.100 0.057 0.000 0.923 250 G HN 0.562 nan 8.290 nan 0.000 0.466 251 D N 1.043 121.452 120.400 0.016 0.000 2.382 251 D HA 0.135 4.709 4.640 -0.110 0.000 0.240 251 D C 2.042 178.335 176.300 -0.012 0.000 1.146 251 D CA -0.001 53.997 54.000 -0.004 0.000 0.897 251 D CB 1.482 42.280 40.800 -0.004 0.000 1.197 251 D HN 0.204 nan 8.370 nan 0.000 0.432 252 V N 1.521 121.421 119.914 -0.024 0.000 2.428 252 V HA -0.261 3.793 4.120 -0.110 0.000 0.255 252 V C 1.930 177.999 176.094 -0.041 0.000 1.080 252 V CA 1.274 63.554 62.300 -0.032 0.000 1.083 252 V CB -0.837 30.960 31.823 -0.043 0.000 0.665 252 V HN 0.509 nan 8.190 nan 0.000 0.461 253 L N 1.403 122.601 121.223 -0.042 0.000 2.552 253 L HA 0.068 4.342 4.340 -0.110 0.000 0.227 253 L C 2.602 179.438 176.870 -0.057 0.000 1.146 253 L CA 1.698 56.504 54.840 -0.057 0.000 0.858 253 L CB -0.600 41.430 42.059 -0.048 0.000 0.969 253 L HN 0.697 nan 8.230 nan 0.000 0.451 254 S N -1.366 114.313 115.700 -0.035 0.000 2.439 254 S HA -0.079 4.325 4.470 -0.110 0.000 0.224 254 S C 1.006 175.591 174.600 -0.024 0.000 1.029 254 S CA 0.249 58.434 58.200 -0.024 0.000 0.946 254 S CB -0.087 63.113 63.200 -0.000 0.000 0.797 254 S HN 0.426 nan 8.310 nan 0.000 0.504 255 Q N 0.747 120.536 119.800 -0.019 0.000 2.494 255 Q HA -0.131 4.143 4.340 -0.110 0.000 0.272 255 Q C 0.714 176.718 176.000 0.007 0.000 1.145 255 Q CA 1.038 56.837 55.803 -0.007 0.000 0.943 255 Q CB -2.690 26.030 28.738 -0.029 0.000 1.338 255 Q HN 0.887 nan 8.270 nan 0.000 0.492 256 T N -5.181 109.381 114.554 0.014 0.000 3.086 256 T HA 0.418 4.702 4.350 -0.110 0.000 0.250 256 T C 1.514 176.229 174.700 0.025 0.000 1.074 256 T CA 0.615 62.732 62.100 0.028 0.000 0.988 256 T CB 0.779 69.674 68.868 0.045 0.000 0.988 256 T HN 1.019 nan 8.240 nan 0.000 0.530 257 G N 1.748 110.557 108.800 0.015 0.000 2.176 257 G HA2 -0.329 3.565 3.960 -0.110 0.000 0.253 257 G HA3 -0.329 3.565 3.960 -0.110 0.000 0.253 257 G C 0.166 175.071 174.900 0.007 0.000 0.979 257 G CA -0.028 45.075 45.100 0.005 0.000 0.641 257 G HN 0.718 nan 8.290 nan 0.000 0.530 258 Q N -1.298 118.516 119.800 0.023 0.000 2.439 258 Q HA -0.195 4.079 4.340 -0.110 0.000 0.361 258 Q C -1.020 175.001 176.000 0.036 0.000 1.408 258 Q CA 0.648 56.475 55.803 0.039 0.000 1.052 258 Q CB -0.828 27.933 28.738 0.038 0.000 1.233 258 Q HN 0.564 nan 8.270 nan 0.000 0.347 259 P HA -0.145 nan 4.420 nan 0.000 0.228 259 P C 0.084 177.372 177.300 -0.020 0.000 1.151 259 P CA 1.187 64.286 63.100 -0.002 0.000 0.770 259 P CB 0.301 31.997 31.700 -0.007 0.000 0.786 260 L N 1.469 122.709 121.223 0.028 0.000 2.495 260 L HA 0.389 4.663 4.340 -0.110 0.000 0.248 260 L C -2.246 174.779 176.870 0.258 0.000 1.229 260 L CA -2.144 52.710 54.840 0.024 0.000 0.942 260 L CB 1.362 43.393 42.059 -0.046 0.000 1.242 260 L HN -0.159 nan 8.230 nan 0.000 0.484 261 P HA 0.065 nan 4.420 nan 0.000 0.273 261 P C 0.322 177.816 177.300 0.323 0.000 1.250 261 P CA -0.131 63.081 63.100 0.187 0.000 0.793 261 P CB 1.060 32.814 31.700 0.090 0.000 1.011 262 C N -1.249 118.159 119.300 0.179 0.000 4.454 262 C HA -0.099 4.295 4.460 -0.110 0.000 0.298 262 C C 2.073 177.014 174.990 -0.081 0.000 1.384 262 C CA 0.316 59.406 59.018 0.120 0.000 2.002 262 C CB -3.210 24.644 27.740 0.191 0.000 1.249 262 C HN 0.735 nan 8.230 nan 0.000 0.783 263 A N 0.016 122.651 122.820 -0.308 0.000 1.972 263 A HA -0.178 4.076 4.320 -0.110 0.000 0.219 263 A C 1.753 178.841 177.584 -0.827 0.000 1.169 263 A CA 2.358 53.718 52.037 -1.129 0.000 0.635 263 A CB -0.371 18.226 19.000 -0.672 0.000 0.810 263 A HN 0.731 nan 8.150 nan 0.000 0.446 264 D N -0.796 119.366 120.400 -0.396 0.000 2.264 264 D HA -0.045 4.529 4.640 -0.110 0.000 0.208 264 D C 1.683 177.848 176.300 -0.226 0.000 0.966 264 D CA 0.901 54.743 54.000 -0.263 0.000 0.864 264 D CB -0.021 40.691 40.800 -0.146 0.000 0.933 264 D HN 0.505 nan 8.370 nan 0.000 0.499 265 L N -0.415 120.678 121.223 -0.217 0.000 2.187 265 L HA 0.108 4.382 4.340 -0.110 0.000 0.197 265 L C 2.462 179.281 176.870 -0.085 0.000 1.090 265 L CA 0.298 55.077 54.840 -0.101 0.000 0.781 265 L CB -0.978 41.079 42.059 -0.004 0.000 0.956 265 L HN 0.275 nan 8.230 nan 0.000 0.463 266 W N 0.560 121.827 121.300 -0.054 0.000 2.364 266 W HA -0.137 4.457 4.660 -0.110 0.000 0.281 266 W C 1.594 178.068 176.519 -0.076 0.000 1.219 266 W CA 0.446 57.752 57.345 -0.066 0.000 1.220 266 W CB -0.969 28.446 29.460 -0.075 0.000 1.127 266 W HN 0.166 nan 8.180 nan 0.000 0.556 267 L N 1.712 122.658 121.223 -0.461 0.000 2.450 267 L HA -0.013 4.261 4.340 -0.110 0.000 0.224 267 L C 2.754 179.554 176.870 -0.117 0.000 1.149 267 L CA 1.243 55.858 54.840 -0.375 0.000 0.816 267 L CB -0.983 40.744 42.059 -0.553 0.000 0.932 267 L HN 0.118 nan 8.230 nan 0.000 0.449 268 G N -0.969 107.782 108.800 -0.082 0.000 2.572 268 G HA2 -0.169 3.725 3.960 -0.110 0.000 0.216 268 G HA3 -0.169 3.725 3.960 -0.110 0.000 0.216 268 G C 0.748 175.646 174.900 -0.003 0.000 1.133 268 G CA -0.148 44.929 45.100 -0.038 0.000 0.791 268 G HN 0.235 nan 8.290 nan 0.000 0.538 269 N N 0.738 119.460 118.700 0.037 0.000 2.472 269 N HA 0.324 4.998 4.740 -0.110 0.000 0.277 269 N C 1.462 177.011 175.510 0.065 0.000 1.081 269 N CA 0.293 53.373 53.050 0.050 0.000 0.973 269 N CB 1.648 40.181 38.487 0.076 0.000 1.105 269 N HN -0.019 nan 8.380 nan 0.000 0.470 270 A N 4.881 127.734 122.820 0.057 0.000 1.978 270 A HA -0.164 4.090 4.320 -0.110 0.000 0.220 270 A C 1.942 179.566 177.584 0.068 0.000 1.170 270 A CA 1.396 53.473 52.037 0.065 0.000 0.636 270 A CB -0.229 18.807 19.000 0.060 0.000 0.810 270 A HN 0.825 nan 8.150 nan 0.000 0.448 271 K N -0.436 119.999 120.400 0.058 0.000 2.209 271 K HA -0.066 4.188 4.320 -0.110 0.000 0.204 271 K C 2.181 178.810 176.600 0.048 0.000 1.048 271 K CA 1.015 57.330 56.287 0.046 0.000 0.940 271 K CB -0.260 32.257 32.500 0.027 0.000 0.729 271 K HN 0.488 nan 8.250 nan 0.000 0.451 272 A N 1.062 123.926 122.820 0.073 0.000 1.898 272 A HA -0.116 4.138 4.320 -0.110 0.000 0.214 272 A C 2.243 179.874 177.584 0.079 0.000 1.183 272 A CA 1.842 53.937 52.037 0.096 0.000 0.622 272 A CB -0.764 18.388 19.000 0.254 0.000 0.824 272 A HN 0.430 nan 8.150 nan 0.000 0.444 273 T N -2.827 111.783 114.554 0.094 0.000 2.985 273 T HA -0.033 4.251 4.350 -0.110 0.000 0.266 273 T C 1.947 176.747 174.700 0.165 0.000 1.076 273 T CA 1.468 63.652 62.100 0.140 0.000 1.135 273 T CB -0.334 68.637 68.868 0.171 0.000 0.890 273 T HN 0.265 nan 8.240 nan 0.000 0.480 274 S N 1.784 117.557 115.700 0.123 0.000 2.345 274 S HA -0.091 4.313 4.470 -0.110 0.000 0.220 274 S C 1.978 176.663 174.600 0.140 0.000 1.031 274 S CA 1.340 59.610 58.200 0.117 0.000 0.996 274 S CB -0.471 62.780 63.200 0.085 0.000 0.882 274 S HN 0.723 nan 8.310 nan 0.000 0.445 275 E N 1.118 121.394 120.200 0.126 0.000 2.070 275 E HA -0.164 4.120 4.350 -0.110 0.000 0.197 275 E C 1.912 178.686 176.600 0.289 0.000 1.004 275 E CA 1.082 57.582 56.400 0.167 0.000 0.805 275 E CB -0.241 29.496 29.700 0.061 0.000 0.744 275 E HN 0.417 nan 8.360 nan 0.000 0.451 276 L N 0.396 121.761 121.223 0.236 0.000 2.201 276 L HA -0.185 4.089 4.340 -0.110 0.000 0.212 276 L C 2.523 179.635 176.870 0.403 0.000 1.105 276 L CA 0.958 56.004 54.840 0.344 0.000 0.775 276 L CB -0.313 41.845 42.059 0.166 0.000 0.913 276 L HN 0.221 nan 8.230 nan 0.000 0.440 277 Q N -0.286 119.697 119.800 0.305 0.000 2.368 277 Q HA -0.262 4.012 4.340 -0.110 0.000 0.210 277 Q C 1.906 177.981 176.000 0.126 0.000 0.982 277 Q CA 1.188 57.118 55.803 0.212 0.000 0.884 277 Q CB -0.057 28.774 28.738 0.156 0.000 0.933 277 Q HN 0.570 nan 8.270 nan 0.000 0.460 278 Q N -0.534 119.336 119.800 0.117 0.000 2.425 278 Q HA 0.147 4.421 4.340 -0.110 0.000 0.204 278 Q C -0.060 175.779 176.000 -0.267 0.000 0.933 278 Q CA -0.034 55.742 55.803 -0.045 0.000 0.939 278 Q CB 0.473 29.202 28.738 -0.015 0.000 1.044 278 Q HN 0.229 nan 8.270 nan 0.000 0.513 279 A N 0.652 123.366 122.820 -0.176 0.000 2.477 279 A HA 0.020 4.274 4.320 -0.110 0.000 0.246 279 A C 0.410 177.865 177.584 -0.214 0.000 1.078 279 A CA -0.024 51.826 52.037 -0.312 0.000 0.770 279 A CB 0.468 19.475 19.000 0.012 0.000 1.011 279 A HN 0.313 nan 8.150 nan 0.000 0.494 280 Q N 1.243 120.870 119.800 -0.288 0.000 2.396 280 Q HA 0.402 4.676 4.340 -0.110 0.000 0.220 280 Q C 0.096 176.038 176.000 -0.097 0.000 0.900 280 Q CA 0.458 56.189 55.803 -0.121 0.000 0.925 280 Q CB 0.764 29.459 28.738 -0.072 0.000 1.065 280 Q HN 0.777 nan 8.270 nan 0.000 0.535 281 I N 0.410 120.826 120.570 -0.258 0.000 2.686 281 I HA 0.378 4.482 4.170 -0.110 0.000 0.295 281 I C -1.636 174.230 176.117 -0.418 0.000 1.114 281 I CA -1.237 59.849 61.300 -0.357 0.000 1.038 281 I CB 2.128 39.889 38.000 -0.398 0.000 1.238 281 I HN -0.278 nan 8.210 nan 0.000 0.420 282 V N 7.340 127.003 119.914 -0.419 0.000 2.448 282 V HA 0.404 4.458 4.120 -0.110 0.000 0.295 282 V C -0.462 175.341 176.094 -0.485 0.000 1.025 282 V CA -0.613 61.434 62.300 -0.422 0.000 0.859 282 V CB 1.742 33.221 31.823 -0.575 0.000 0.988 282 V HN 0.437 nan 8.190 nan 0.000 0.431 283 V N 5.249 125.065 119.914 -0.165 0.000 2.311 283 V HA 0.379 4.433 4.120 -0.110 0.000 0.275 283 V C 0.041 176.115 176.094 -0.035 0.000 1.022 283 V CA -0.418 61.856 62.300 -0.043 0.000 0.830 283 V CB 1.283 33.291 31.823 0.310 0.000 1.012 283 V HN 0.945 nan 8.190 nan 0.000 0.452 284 Q N 4.625 124.326 119.800 -0.165 0.000 2.257 284 Q HA 0.637 4.911 4.340 -0.110 0.000 0.255 284 Q C -1.541 174.401 176.000 -0.097 0.000 0.920 284 Q CA -0.642 55.126 55.803 -0.059 0.000 0.927 284 Q CB 1.394 30.149 28.738 0.028 0.000 1.229 284 Q HN 0.695 nan 8.270 nan 0.000 0.433 285 L N 4.088 125.264 121.223 -0.079 0.000 2.305 285 L HA 0.697 4.971 4.340 -0.110 0.000 0.284 285 L C 0.393 177.213 176.870 -0.085 0.000 1.013 285 L CA 0.017 54.766 54.840 -0.153 0.000 0.819 285 L CB 1.729 43.678 42.059 -0.182 0.000 1.227 285 L HN 0.951 nan 8.230 nan 0.000 0.417 286 G N 2.495 111.237 108.800 -0.098 0.000 2.828 286 G HA2 0.037 3.930 3.960 -0.110 0.000 0.463 286 G HA3 0.037 3.930 3.960 -0.110 0.000 0.463 286 G C -0.355 174.533 174.900 -0.020 0.000 1.394 286 G CA -0.226 44.842 45.100 -0.054 0.000 0.862 286 G HN 0.976 nan 8.290 nan 0.000 0.540 287 S N -2.759 112.936 115.700 -0.008 0.000 2.998 287 S HA 0.817 5.221 4.470 -0.110 0.000 0.321 287 S C 0.668 175.272 174.600 0.007 0.000 1.171 287 S CA 0.681 58.886 58.200 0.010 0.000 0.882 287 S CB 1.255 64.460 63.200 0.008 0.000 1.301 287 S HN 2.499 nan 8.310 nan 0.000 0.629 288 S N 0.339 116.044 115.700 0.008 0.000 3.682 288 S HA -0.095 4.309 4.470 -0.110 0.000 0.354 288 S C -0.122 174.478 174.600 0.000 0.000 1.034 288 S CA 0.081 58.282 58.200 0.002 0.000 1.084 288 S CB -1.741 61.457 63.200 -0.002 0.000 0.903 288 S HN 0.668 nan 8.310 nan 0.000 0.470 289 L N 1.272 122.502 121.223 0.011 0.000 2.573 289 L HA 0.050 4.324 4.340 -0.110 0.000 0.290 289 L C 1.837 178.705 176.870 -0.004 0.000 1.247 289 L CA 1.327 56.175 54.840 0.013 0.000 0.876 289 L CB -0.183 41.898 42.059 0.036 0.000 1.123 289 L HN 0.431 nan 8.230 nan 0.000 0.505 290 T N 1.283 115.829 114.554 -0.014 0.000 2.904 290 T HA 0.104 4.388 4.350 -0.110 0.000 0.243 290 T C 0.849 175.531 174.700 -0.030 0.000 1.024 290 T CA 0.567 62.651 62.100 -0.027 0.000 1.158 290 T CB -0.226 68.619 68.868 -0.038 0.000 0.867 290 T HN 0.743 nan 8.240 nan 0.000 0.429 291 G N 1.131 109.910 108.800 -0.035 0.000 2.442 291 G HA2 0.238 4.131 3.960 -0.110 0.000 0.249 291 G HA3 0.238 4.131 3.960 -0.110 0.000 0.249 291 G C 0.701 175.580 174.900 -0.035 0.000 1.263 291 G CA -0.400 44.672 45.100 -0.047 0.000 0.846 291 G HN 0.211 nan 8.290 nan 0.000 0.555 292 K N 1.036 121.413 120.400 -0.038 0.000 2.009 292 K HA -0.171 4.083 4.320 -0.110 0.000 0.210 292 K C 2.704 179.292 176.600 -0.020 0.000 1.049 292 K CA 1.260 57.532 56.287 -0.026 0.000 0.929 292 K CB -0.036 32.448 32.500 -0.027 0.000 0.714 292 K HN 0.341 nan 8.250 nan 0.000 0.440 293 R N 0.851 121.325 120.500 -0.044 0.000 2.083 293 R HA -0.148 4.126 4.340 -0.110 0.000 0.237 293 R C 2.197 178.502 176.300 0.008 0.000 1.137 293 R CA 1.119 57.195 56.100 -0.041 0.000 0.951 293 R CB -0.934 29.296 30.300 -0.117 0.000 0.851 293 R HN 0.224 nan 8.270 nan 0.000 0.434 294 L N 0.403 121.614 121.223 -0.020 0.000 2.012 294 L HA -0.130 4.144 4.340 -0.110 0.000 0.210 294 L C 1.857 178.806 176.870 0.131 0.000 1.073 294 L CA 1.733 56.614 54.840 0.067 0.000 0.748 294 L CB -0.607 41.461 42.059 0.014 0.000 0.891 294 L HN 0.195 nan 8.230 nan 0.000 0.431 295 L N -0.999 120.258 121.223 0.056 0.000 2.042 295 L HA -0.278 3.996 4.340 -0.110 0.000 0.210 295 L C 2.656 179.539 176.870 0.022 0.000 1.076 295 L CA 1.598 56.457 54.840 0.031 0.000 0.749 295 L CB -0.625 41.435 42.059 0.002 0.000 0.893 295 L HN 0.407 nan 8.230 nan 0.000 0.432 296 Q N -1.214 118.609 119.800 0.037 0.000 2.020 296 Q HA -0.272 4.002 4.340 -0.110 0.000 0.202 296 Q C 2.034 178.066 176.000 0.054 0.000 0.982 296 Q CA 2.256 58.078 55.803 0.033 0.000 0.838 296 Q CB -0.389 28.375 28.738 0.043 0.000 0.899 296 Q HN 0.569 nan 8.270 nan 0.000 0.423 297 W N 1.552 122.842 121.300 -0.017 0.000 2.358 297 W HA -0.216 4.378 4.660 -0.110 0.000 0.303 297 W C 2.223 178.768 176.519 0.043 0.000 1.208 297 W CA 1.622 58.972 57.345 0.008 0.000 1.274 297 W CB -0.158 29.297 29.460 -0.009 0.000 1.138 297 W HN 0.121 nan 8.180 nan 0.000 0.515 298 Q N 0.668 120.406 119.800 -0.103 0.000 2.119 298 Q HA -0.150 4.124 4.340 -0.110 0.000 0.201 298 Q C 2.123 177.976 176.000 -0.245 0.000 0.972 298 Q CA 2.006 57.645 55.803 -0.273 0.000 0.847 298 Q CB -0.660 28.098 28.738 0.034 0.000 0.903 298 Q HN 0.363 nan 8.270 nan 0.000 0.433 299 A N 0.346 123.063 122.820 -0.173 0.000 2.066 299 A HA -0.081 4.173 4.320 -0.110 0.000 0.218 299 A C 2.068 179.538 177.584 -0.190 0.000 1.157 299 A CA 1.643 53.568 52.037 -0.186 0.000 0.670 299 A CB -0.226 18.689 19.000 -0.141 0.000 0.804 299 A HN 0.540 nan 8.150 nan 0.000 0.453 300 S N -1.230 114.347 115.700 -0.206 0.000 2.506 300 S HA 0.036 4.440 4.470 -0.110 0.000 0.219 300 S C 0.958 175.446 174.600 -0.187 0.000 1.031 300 S CA 0.208 58.313 58.200 -0.157 0.000 0.911 300 S CB -1.540 61.610 63.200 -0.084 0.000 0.812 300 S HN 0.925 nan 8.310 nan 0.000 0.497 301 C N 2.164 121.206 119.300 -0.429 0.000 2.679 301 C HA 0.516 4.910 4.460 -0.110 0.000 0.417 301 C C 0.335 175.261 174.990 -0.107 0.000 1.302 301 C CA -0.569 58.192 59.018 -0.428 0.000 1.973 301 C CB -0.735 26.364 27.740 -1.068 0.000 2.715 301 C HN 0.554 nan 8.230 nan 0.000 0.628 302 E N 3.257 123.435 120.200 -0.036 0.000 3.406 302 E HA 0.321 4.605 4.350 -0.110 0.000 0.210 302 E C -1.972 174.639 176.600 0.019 0.000 1.167 302 E CA -1.052 55.367 56.400 0.033 0.000 1.132 302 E CB 0.559 30.288 29.700 0.048 0.000 1.309 302 E HN 0.734 nan 8.360 nan 0.000 0.424 303 P HA 0.081 nan 4.420 nan 0.000 0.274 303 P C 0.377 177.693 177.300 0.027 0.000 1.246 303 P CA -0.128 62.957 63.100 -0.024 0.000 0.795 303 P CB 1.396 33.043 31.700 -0.089 0.000 1.006 304 E N -0.210 120.025 120.200 0.058 0.000 2.058 304 E HA -0.140 4.144 4.350 -0.110 0.000 0.194 304 E C 0.276 176.925 176.600 0.081 0.000 0.997 304 E CA 1.422 57.901 56.400 0.133 0.000 0.801 304 E CB 0.167 30.047 29.700 0.301 0.000 0.746 304 E HN 0.540 nan 8.360 nan 0.000 0.450 305 E N -1.511 118.655 120.200 -0.058 0.000 2.343 305 E HA 0.302 4.586 4.350 -0.110 0.000 0.270 305 E C -1.555 175.031 176.600 -0.023 0.000 0.895 305 E CA -0.777 55.594 56.400 -0.048 0.000 0.767 305 E CB 1.961 31.536 29.700 -0.209 0.000 1.248 305 E HN -0.017 nan 8.360 nan 0.000 0.440 306 Y N 1.324 121.639 120.300 0.026 0.000 2.329 306 Y HA 0.346 4.830 4.550 -0.110 0.000 0.328 306 Y C -1.714 174.343 175.900 0.261 0.000 0.992 306 Y CA -0.840 57.262 58.100 0.003 0.000 1.151 306 Y CB 0.916 39.285 38.460 -0.152 0.000 1.150 306 Y HN 0.454 nan 8.280 nan 0.000 0.450 307 W N 7.367 128.539 121.300 -0.213 0.000 2.529 307 W HA 0.645 5.239 4.660 -0.110 0.000 0.321 307 W C -1.037 175.385 176.519 -0.162 0.000 1.047 307 W CA -1.630 55.638 57.345 -0.128 0.000 1.216 307 W CB 1.133 30.511 29.460 -0.137 0.000 1.357 307 W HN 0.340 nan 8.180 nan 0.000 0.489 308 I N 3.628 124.267 120.570 0.115 0.000 2.406 308 I HA 0.377 4.481 4.170 -0.110 0.000 0.290 308 I C -0.571 175.439 176.117 -0.179 0.000 0.999 308 I CA -1.103 60.195 61.300 -0.003 0.000 1.124 308 I CB 1.507 39.558 38.000 0.086 0.000 1.289 308 I HN -0.117 nan 8.210 nan 0.000 0.441 309 V N 5.243 124.954 119.914 -0.338 0.000 2.448 309 V HA 0.606 4.660 4.120 -0.110 0.000 0.295 309 V C -0.564 175.334 176.094 -0.327 0.000 1.025 309 V CA -0.328 61.648 62.300 -0.541 0.000 0.859 309 V CB 1.819 32.932 31.823 -1.183 0.000 0.988 309 V HN 0.703 nan 8.190 nan 0.000 0.431 310 D N 2.213 122.477 120.400 -0.227 0.000 2.683 310 D HA 0.180 4.754 4.640 -0.110 0.000 0.246 310 D C -0.930 175.334 176.300 -0.060 0.000 1.238 310 D CA -0.386 53.541 54.000 -0.122 0.000 0.759 310 D CB 2.607 43.361 40.800 -0.075 0.000 1.349 310 D HN 0.496 nan 8.370 nan 0.000 0.426 311 D N 1.207 121.598 120.400 -0.015 0.000 2.460 311 D HA 0.290 4.864 4.640 -0.110 0.000 0.229 311 D C -0.120 176.253 176.300 0.122 0.000 1.170 311 D CA -0.023 54.013 54.000 0.059 0.000 0.827 311 D CB -0.143 40.674 40.800 0.029 0.000 0.973 311 D HN 0.294 nan 8.370 nan 0.000 0.496 312 I N 0.527 121.144 120.570 0.079 0.000 2.740 312 I HA 0.249 4.352 4.170 -0.110 0.000 0.303 312 I C -0.085 176.076 176.117 0.074 0.000 1.044 312 I CA -0.825 60.540 61.300 0.108 0.000 1.064 312 I CB 1.811 39.842 38.000 0.051 0.000 1.249 312 I HN -0.152 nan 8.210 nan 0.000 0.433 313 E N 3.591 123.837 120.200 0.076 0.000 2.392 313 E HA 0.518 4.802 4.350 -0.110 0.000 0.259 313 E C -0.028 176.578 176.600 0.010 0.000 1.108 313 E CA -0.093 56.314 56.400 0.013 0.000 0.916 313 E CB 0.738 30.432 29.700 -0.010 0.000 0.989 313 E HN 0.881 nan 8.360 nan 0.000 0.432 314 G N 0.911 109.710 108.800 -0.003 0.000 2.619 314 G HA2 -0.191 3.703 3.960 -0.110 0.000 0.686 314 G HA3 -0.191 3.703 3.960 -0.110 0.000 0.686 314 G C -0.831 174.073 174.900 0.007 0.000 1.256 314 G CA -1.016 44.086 45.100 0.004 0.000 0.826 314 G HN 0.448 nan 8.290 nan 0.000 0.619 315 R N -0.311 120.198 120.500 0.015 0.000 2.537 315 R HA 0.378 4.652 4.340 -0.110 0.000 0.280 315 R C 0.873 177.186 176.300 0.022 0.000 1.058 315 R CA 0.154 56.269 56.100 0.026 0.000 1.057 315 R CB 0.435 30.764 30.300 0.048 0.000 0.973 315 R HN 0.433 nan 8.270 nan 0.000 0.438 316 L N 0.713 121.948 121.223 0.019 0.000 2.966 316 L HA 0.154 4.428 4.340 -0.110 0.000 0.262 316 L C 0.044 176.910 176.870 -0.006 0.000 1.165 316 L CA -0.099 54.748 54.840 0.012 0.000 0.978 316 L CB 0.451 42.520 42.059 0.017 0.000 1.337 316 L HN 0.538 nan 8.230 nan 0.000 0.563 317 D N 1.925 122.306 120.400 -0.031 0.000 2.396 317 D HA 0.180 4.754 4.640 -0.110 0.000 0.225 317 D C -1.648 174.497 176.300 -0.259 0.000 1.121 317 D CA -2.084 51.834 54.000 -0.137 0.000 0.853 317 D CB 1.583 42.281 40.800 -0.170 0.000 1.043 317 D HN -0.074 nan 8.370 nan 0.000 0.500 318 P HA 0.120 nan 4.420 nan 0.000 0.249 318 P C 0.268 177.118 177.300 -0.750 0.000 1.241 318 P CA 0.158 63.024 63.100 -0.390 0.000 0.781 318 P CB 0.426 32.016 31.700 -0.183 0.000 1.088 319 A N -0.819 121.532 122.820 -0.783 0.000 2.508 319 A HA 0.176 4.430 4.320 -0.110 0.000 0.257 319 A C 0.334 177.448 177.584 -0.783 0.000 1.226 319 A CA -0.274 51.297 52.037 -0.778 0.000 0.947 319 A CB -0.731 17.921 19.000 -0.581 0.000 1.079 319 A HN 0.204 nan 8.150 nan 0.000 0.531 320 H N -0.201 118.701 119.070 -0.280 0.000 2.741 320 H HA -0.192 4.298 4.556 -0.110 0.000 0.305 320 H C -0.376 174.829 175.328 -0.205 0.000 1.169 320 H CA 1.133 57.066 56.048 -0.192 0.000 1.144 320 H CB -2.691 26.988 29.762 -0.138 0.000 1.397 320 H HN 0.797 nan 8.280 nan 0.000 0.409 321 H N 0.548 119.539 119.070 -0.131 0.000 2.948 321 H HA 0.096 4.586 4.556 -0.110 0.000 0.351 321 H C 1.345 176.683 175.328 0.016 0.000 1.079 321 H CA 0.312 56.314 56.048 -0.078 0.000 1.407 321 H CB 0.610 30.289 29.762 -0.138 0.000 1.373 321 H HN 0.286 nan 8.280 nan 0.000 0.605 322 R N 1.743 122.353 120.500 0.184 0.000 2.522 322 R HA 0.255 4.529 4.340 -0.110 0.000 0.284 322 R C 0.235 176.642 176.300 0.179 0.000 1.032 322 R CA 0.882 57.070 56.100 0.146 0.000 1.049 322 R CB -0.159 30.218 30.300 0.128 0.000 0.956 322 R HN 0.916 nan 8.270 nan 0.000 0.422 323 G N 3.227 112.113 108.800 0.144 0.000 2.566 323 G HA2 0.151 4.045 3.960 -0.110 0.000 0.138 323 G HA3 0.151 4.045 3.960 -0.110 0.000 0.138 323 G C -1.477 173.444 174.900 0.034 0.000 1.133 323 G CA -0.845 44.353 45.100 0.163 0.000 1.037 323 G HN 0.554 nan 8.290 nan 0.000 0.491 324 R N -0.672 119.818 120.500 -0.017 0.000 2.698 324 R HA 0.719 4.993 4.340 -0.110 0.000 0.275 324 R C -1.224 175.020 176.300 -0.093 0.000 1.001 324 R CA -0.978 55.007 56.100 -0.191 0.000 0.896 324 R CB 2.459 32.391 30.300 -0.614 0.000 1.218 324 R HN 0.453 nan 8.270 nan 0.000 0.462 325 R N 2.867 123.312 120.500 -0.091 0.000 2.358 325 R HA 0.381 4.655 4.340 -0.110 0.000 0.309 325 R C -1.589 174.654 176.300 -0.094 0.000 1.026 325 R CA -0.332 55.732 56.100 -0.059 0.000 0.909 325 R CB 0.496 30.784 30.300 -0.022 0.000 1.153 325 R HN 0.593 nan 8.270 nan 0.000 0.515 326 L N 5.874 127.016 121.223 -0.135 0.000 2.294 326 L HA 0.487 4.761 4.340 -0.110 0.000 0.283 326 L C -0.496 176.304 176.870 -0.116 0.000 1.015 326 L CA -1.137 53.623 54.840 -0.133 0.000 0.831 326 L CB 1.337 43.284 42.059 -0.187 0.000 1.217 326 L HN 0.468 nan 8.230 nan 0.000 0.420 327 I N 3.810 124.353 120.570 -0.045 0.000 2.379 327 I HA 0.562 4.666 4.170 -0.110 0.000 0.290 327 I C 0.453 176.596 176.117 0.043 0.000 1.063 327 I CA 0.153 61.446 61.300 -0.011 0.000 1.351 327 I CB 0.713 38.698 38.000 -0.025 0.000 1.410 327 I HN 0.657 nan 8.210 nan 0.000 0.505 328 A N 5.507 128.352 122.820 0.042 0.000 2.590 328 A HA 0.371 4.625 4.320 -0.110 0.000 0.296 328 A C -0.552 177.070 177.584 0.063 0.000 1.050 328 A CA -0.905 51.197 52.037 0.108 0.000 0.697 328 A CB 0.926 20.077 19.000 0.253 0.000 1.277 328 A HN 0.576 nan 8.150 nan 0.000 0.411 329 N N 1.425 120.175 118.700 0.083 0.000 2.412 329 N HA 0.039 4.713 4.740 -0.110 0.000 0.258 329 N C 0.883 176.430 175.510 0.061 0.000 1.236 329 N CA 0.262 53.341 53.050 0.049 0.000 0.882 329 N CB 0.417 38.932 38.487 0.048 0.000 1.066 329 N HN 0.558 nan 8.380 nan 0.000 0.465 330 I N 3.271 123.844 120.570 0.004 0.000 2.315 330 I HA -0.229 3.875 4.170 -0.110 0.000 0.248 330 I C 2.247 178.379 176.117 0.024 0.000 1.117 330 I CA 1.042 62.328 61.300 -0.023 0.000 1.404 330 I CB -0.227 37.717 38.000 -0.093 0.000 1.071 330 I HN 0.652 nan 8.210 nan 0.000 0.419 331 A N 0.803 123.632 122.820 0.015 0.000 1.873 331 A HA -0.214 4.040 4.320 -0.110 0.000 0.215 331 A C 1.964 179.571 177.584 0.039 0.000 1.186 331 A CA 1.948 53.992 52.037 0.012 0.000 0.616 331 A CB -0.602 18.402 19.000 0.007 0.000 0.823 331 A HN 0.326 nan 8.150 nan 0.000 0.442 332 D N -1.463 118.974 120.400 0.062 0.000 2.149 332 D HA -0.195 4.379 4.640 -0.110 0.000 0.198 332 D C 1.563 177.923 176.300 0.100 0.000 0.990 332 D CA 1.202 55.242 54.000 0.067 0.000 0.839 332 D CB -0.417 40.428 40.800 0.076 0.000 0.948 332 D HN 0.747 nan 8.370 nan 0.000 0.460 333 W N 1.324 122.602 121.300 -0.037 0.000 2.379 333 W HA -0.042 4.552 4.660 -0.110 0.000 0.307 333 W C 2.203 178.702 176.519 -0.032 0.000 1.200 333 W CA 0.873 58.218 57.345 -0.001 0.000 1.297 333 W CB -0.369 29.032 29.460 -0.099 0.000 1.140 333 W HN -0.110 nan 8.180 nan 0.000 0.507 334 L N 0.268 121.547 121.223 0.093 0.000 2.043 334 L HA -0.282 3.992 4.340 -0.110 0.000 0.212 334 L C 2.301 179.136 176.870 -0.058 0.000 1.075 334 L CA 1.906 56.643 54.840 -0.172 0.000 0.752 334 L CB -0.913 40.982 42.059 -0.274 0.000 0.891 334 L HN 0.047 nan 8.230 nan 0.000 0.432 335 E N -0.300 119.886 120.200 -0.024 0.000 2.072 335 E HA -0.229 4.055 4.350 -0.110 0.000 0.191 335 E C 2.026 178.585 176.600 -0.069 0.000 0.985 335 E CA 0.840 57.235 56.400 -0.008 0.000 0.801 335 E CB -0.075 29.625 29.700 -0.000 0.000 0.750 335 E HN 0.223 nan 8.360 nan 0.000 0.452 336 L N 0.250 121.364 121.223 -0.182 0.000 2.376 336 L HA -0.069 4.205 4.340 -0.110 0.000 0.219 336 L C -0.064 176.387 176.870 -0.698 0.000 1.133 336 L CA 1.577 56.175 54.840 -0.403 0.000 0.816 336 L CB -0.031 41.736 42.059 -0.486 0.000 0.933 336 L HN 0.073 nan 8.230 nan 0.000 0.449 337 H N -0.639 118.187 119.070 -0.407 0.000 2.429 337 H HA 0.357 4.847 4.556 -0.110 0.000 0.231 337 H C -2.440 172.962 175.328 0.123 0.000 1.416 337 H CA -2.074 53.697 56.048 -0.461 0.000 1.443 337 H CB -0.025 28.801 29.762 -1.560 0.000 1.591 337 H HN 0.087 nan 8.280 nan 0.000 0.507 338 P HA 0.168 nan 4.420 nan 0.000 0.272 338 P C 0.007 177.657 177.300 0.583 0.000 1.230 338 P CA -0.307 63.077 63.100 0.473 0.000 0.788 338 P CB 1.185 33.041 31.700 0.260 0.000 0.949 339 A N 1.206 124.217 122.820 0.319 0.000 2.302 339 A HA 0.447 4.701 4.320 -0.110 0.000 0.285 339 A C 0.112 177.592 177.584 -0.173 0.000 1.105 339 A CA -0.085 51.872 52.037 -0.133 0.000 0.816 339 A CB -0.017 18.593 19.000 -0.650 0.000 1.067 339 A HN 0.545 nan 8.150 nan 0.000 0.489 340 E N 0.750 120.759 120.200 -0.318 0.000 2.238 340 E HA 0.389 4.673 4.350 -0.110 0.000 0.267 340 E C -0.968 175.459 176.600 -0.288 0.000 0.887 340 E CA -0.552 55.673 56.400 -0.291 0.000 0.769 340 E CB 0.972 30.459 29.700 -0.355 0.000 1.187 340 E HN 0.468 nan 8.360 nan 0.000 0.416 341 K N 3.251 123.527 120.400 -0.208 0.000 2.453 341 K HA 0.133 4.387 4.320 -0.110 0.000 0.280 341 K C -0.019 176.485 176.600 -0.160 0.000 1.045 341 K CA 0.426 56.612 56.287 -0.169 0.000 1.059 341 K CB 0.499 32.927 32.500 -0.120 0.000 0.901 341 K HN 0.357 nan 8.250 nan 0.000 0.475 342 R N 2.159 122.570 120.500 -0.149 0.000 2.698 342 R HA 0.084 4.358 4.340 -0.110 0.000 0.275 342 R C -1.288 174.988 176.300 -0.039 0.000 1.001 342 R CA -0.870 55.174 56.100 -0.092 0.000 0.896 342 R CB 1.501 31.746 30.300 -0.093 0.000 1.218 342 R HN 0.387 nan 8.270 nan 0.000 0.462 343 Q N 4.123 123.920 119.800 -0.004 0.000 2.271 343 Q HA 0.190 4.464 4.340 -0.110 0.000 0.273 343 Q C -2.031 174.015 176.000 0.077 0.000 1.051 343 Q CA -1.221 54.593 55.803 0.017 0.000 0.901 343 Q CB 0.805 29.552 28.738 0.016 0.000 1.174 343 Q HN 0.282 nan 8.270 nan 0.000 0.385 344 P HA -0.131 nan 4.420 nan 0.000 0.264 344 P C 0.062 177.424 177.300 0.103 0.000 1.179 344 P CA 0.352 63.483 63.100 0.052 0.000 0.763 344 P CB 0.271 31.938 31.700 -0.055 0.000 0.806 345 W N 1.188 122.499 121.300 0.019 0.000 3.013 345 W HA 0.206 4.800 4.660 -0.110 0.000 0.280 345 W C -0.769 175.735 176.519 -0.026 0.000 1.249 345 W CA -0.220 57.121 57.345 -0.006 0.000 1.577 345 W CB -0.909 28.546 29.460 -0.008 0.000 1.057 345 W HN 0.005 nan 8.180 nan 0.000 0.613 346 C N 3.104 122.095 119.300 -0.515 0.000 2.325 346 C HA 0.311 4.705 4.460 -0.110 0.000 0.347 346 C C 1.875 176.698 174.990 -0.279 0.000 1.263 346 C CA -0.255 58.453 59.018 -0.518 0.000 1.806 346 C CB 0.996 28.241 27.740 -0.825 0.000 2.405 346 C HN 0.146 nan 8.230 nan 0.000 0.537 347 V N 2.833 122.642 119.914 -0.175 0.000 2.922 347 V HA 0.027 4.081 4.120 -0.110 0.000 0.242 347 V C 1.860 177.864 176.094 -0.151 0.000 1.094 347 V CA 1.167 63.391 62.300 -0.128 0.000 1.106 347 V CB -0.387 31.398 31.823 -0.063 0.000 0.799 347 V HN 0.845 nan 8.190 nan 0.000 0.474 348 E N -0.139 119.965 120.200 -0.159 0.000 2.307 348 E HA 0.185 4.469 4.350 -0.110 0.000 0.195 348 E C 2.077 178.537 176.600 -0.232 0.000 0.975 348 E CA 0.207 56.516 56.400 -0.153 0.000 0.878 348 E CB 0.233 29.878 29.700 -0.092 0.000 0.845 348 E HN 0.490 nan 8.360 nan 0.000 0.488 349 I N 1.467 121.844 120.570 -0.322 0.000 2.252 349 I HA -0.160 3.944 4.170 -0.110 0.000 0.245 349 I C -0.950 174.796 176.117 -0.619 0.000 1.102 349 I CA 0.914 61.894 61.300 -0.532 0.000 1.385 349 I CB -0.791 36.845 38.000 -0.607 0.000 1.064 349 I HN 0.064 nan 8.210 nan 0.000 0.414 350 P HA -0.197 nan 4.420 nan 0.000 0.216 350 P C 1.546 178.657 177.300 -0.314 0.000 1.150 350 P CA 1.438 64.312 63.100 -0.376 0.000 0.837 350 P CB -0.099 31.439 31.700 -0.270 0.000 0.786 351 R N -0.319 120.028 120.500 -0.255 0.000 2.090 351 R HA -0.013 4.261 4.340 -0.110 0.000 0.228 351 R C 2.196 178.378 176.300 -0.197 0.000 1.110 351 R CA 0.906 56.894 56.100 -0.186 0.000 0.973 351 R CB -0.769 29.451 30.300 -0.135 0.000 0.869 351 R HN 0.155 nan 8.270 nan 0.000 0.440 352 L N 0.226 121.295 121.223 -0.257 0.000 2.083 352 L HA -0.117 4.157 4.340 -0.110 0.000 0.209 352 L C 2.579 179.284 176.870 -0.276 0.000 1.083 352 L CA 1.266 55.971 54.840 -0.224 0.000 0.752 352 L CB -0.456 41.476 42.059 -0.212 0.000 0.899 352 L HN 0.333 nan 8.230 nan 0.000 0.433 353 A N -0.634 121.860 122.820 -0.543 0.000 1.930 353 A HA -0.225 4.029 4.320 -0.110 0.000 0.217 353 A C 2.246 179.738 177.584 -0.154 0.000 1.175 353 A CA 1.513 53.267 52.037 -0.473 0.000 0.627 353 A CB -0.368 18.231 19.000 -0.669 0.000 0.815 353 A HN 0.436 nan 8.150 nan 0.000 0.443 354 E N -0.415 119.690 120.200 -0.159 0.000 2.072 354 E HA -0.220 4.064 4.350 -0.110 0.000 0.191 354 E C 2.154 178.726 176.600 -0.048 0.000 0.985 354 E CA 1.178 57.527 56.400 -0.085 0.000 0.801 354 E CB -0.098 29.547 29.700 -0.092 0.000 0.750 354 E HN 0.753 nan 8.360 nan 0.000 0.452 355 Q N -0.141 119.626 119.800 -0.054 0.000 2.119 355 Q HA -0.129 4.145 4.340 -0.110 0.000 0.201 355 Q C 2.070 178.075 176.000 0.007 0.000 0.972 355 Q CA 1.339 57.128 55.803 -0.022 0.000 0.847 355 Q CB -0.080 28.644 28.738 -0.022 0.000 0.903 355 Q HN 0.283 nan 8.270 nan 0.000 0.433 356 A N 0.664 123.503 122.820 0.032 0.000 1.858 356 A HA -0.242 4.012 4.320 -0.110 0.000 0.216 356 A C 2.041 179.662 177.584 0.061 0.000 1.190 356 A CA 1.693 53.777 52.037 0.079 0.000 0.617 356 A CB -0.565 18.552 19.000 0.195 0.000 0.827 356 A HN 0.387 nan 8.150 nan 0.000 0.443 357 M N -0.101 119.537 119.600 0.062 0.000 2.065 357 M HA -0.224 4.190 4.480 -0.110 0.000 0.259 357 M C 2.107 178.428 176.300 0.034 0.000 1.069 357 M CA 2.196 57.536 55.300 0.066 0.000 1.110 357 M CB -0.890 31.747 32.600 0.062 0.000 1.328 357 M HN 0.526 nan 8.290 nan 0.000 0.405 358 Q N -0.472 119.336 119.800 0.013 0.000 2.118 358 Q HA -0.243 4.031 4.340 -0.110 0.000 0.211 358 Q C 2.077 178.067 176.000 -0.017 0.000 0.998 358 Q CA 2.369 58.170 55.803 -0.003 0.000 0.872 358 Q CB -0.557 28.175 28.738 -0.009 0.000 0.925 358 Q HN 0.745 nan 8.270 nan 0.000 0.414 359 A N -0.180 122.633 122.820 -0.012 0.000 1.933 359 A HA -0.138 4.116 4.320 -0.110 0.000 0.218 359 A C 2.272 179.823 177.584 -0.054 0.000 1.175 359 A CA 1.436 53.461 52.037 -0.019 0.000 0.628 359 A CB -0.542 18.458 19.000 -0.000 0.000 0.814 359 A HN 0.235 nan 8.150 nan 0.000 0.444 360 V N 0.362 120.228 119.914 -0.081 0.000 2.270 360 V HA -0.253 3.801 4.120 -0.110 0.000 0.245 360 V C 2.419 178.298 176.094 -0.357 0.000 1.043 360 V CA 1.879 64.056 62.300 -0.205 0.000 1.014 360 V CB -0.764 30.946 31.823 -0.188 0.000 0.645 360 V HN 0.568 nan 8.190 nan 0.000 0.447 361 I N 0.900 121.320 120.570 -0.251 0.000 2.151 361 I HA -0.334 3.770 4.170 -0.110 0.000 0.243 361 I C 2.741 178.787 176.117 -0.118 0.000 1.080 361 I CA 1.756 62.959 61.300 -0.161 0.000 1.339 361 I CB -0.778 37.227 38.000 0.009 0.000 1.039 361 I HN 0.327 nan 8.210 nan 0.000 0.409 362 A N 0.780 123.554 122.820 -0.078 0.000 2.054 362 A HA -0.216 4.037 4.320 -0.110 0.000 0.223 362 A C 2.018 179.577 177.584 -0.042 0.000 1.169 362 A CA 1.702 53.712 52.037 -0.045 0.000 0.655 362 A CB -0.569 18.414 19.000 -0.029 0.000 0.812 362 A HN 0.488 nan 8.150 nan 0.000 0.462 363 R N -0.955 119.500 120.500 -0.075 0.000 2.633 363 R HA 0.131 4.405 4.340 -0.110 0.000 0.348 363 R C 1.214 177.492 176.300 -0.038 0.000 1.100 363 R CA 0.276 56.351 56.100 -0.042 0.000 1.068 363 R CB 0.150 30.426 30.300 -0.039 0.000 1.351 363 R HN 0.725 nan 8.270 nan 0.000 0.575 364 R N -0.401 120.064 120.500 -0.058 0.000 2.299 364 R HA 0.047 4.321 4.340 -0.110 0.000 0.197 364 R C 0.232 176.579 176.300 0.079 0.000 0.971 364 R CA 0.731 56.813 56.100 -0.031 0.000 1.030 364 R CB 0.160 30.431 30.300 -0.048 0.000 0.932 364 R HN 0.019 nan 8.270 nan 0.000 0.477 365 D N 1.802 122.282 120.400 0.133 0.000 2.216 365 D HA 0.087 4.661 4.640 -0.110 0.000 0.208 365 D C 0.631 177.237 176.300 0.510 0.000 0.960 365 D CA 0.762 54.917 54.000 0.260 0.000 0.861 365 D CB -0.024 40.876 40.800 0.167 0.000 0.985 365 D HN 0.342 nan 8.370 nan 0.000 0.493 366 A N 0.765 123.793 122.820 0.346 0.000 2.555 366 A HA -0.063 4.191 4.320 -0.110 0.000 0.233 366 A C -0.156 177.695 177.584 0.446 0.000 1.060 366 A CA 0.058 52.284 52.037 0.315 0.000 0.759 366 A CB -0.208 18.904 19.000 0.186 0.000 0.995 366 A HN 0.134 nan 8.150 nan 0.000 0.506 367 F N 2.829 122.805 119.950 0.044 0.000 2.606 367 F HA 0.488 4.949 4.527 -0.110 0.000 0.347 367 F C 0.845 176.562 175.800 -0.138 0.000 1.207 367 F CA -0.055 57.800 58.000 -0.243 0.000 1.306 367 F CB -0.326 38.383 39.000 -0.484 0.000 1.657 367 F HN 0.614 nan 8.300 nan 0.000 0.606 368 G N 1.527 110.251 108.800 -0.127 0.000 2.932 368 G HA2 0.286 4.180 3.960 -0.110 0.000 0.283 368 G HA3 0.286 4.180 3.960 -0.110 0.000 0.283 368 G C 0.351 175.175 174.900 -0.127 0.000 1.336 368 G CA -0.385 44.637 45.100 -0.130 0.000 1.056 368 G HN 0.432 nan 8.290 nan 0.000 0.522 369 E N -1.075 119.080 120.200 -0.076 0.000 2.230 369 E HA 0.133 4.417 4.350 -0.110 0.000 0.192 369 E C 2.175 178.795 176.600 0.033 0.000 0.987 369 E CA 0.886 57.262 56.400 -0.041 0.000 0.841 369 E CB 0.012 29.684 29.700 -0.046 0.000 0.783 369 E HN 0.356 nan 8.360 nan 0.000 0.481 370 A N 1.241 124.086 122.820 0.042 0.000 1.930 370 A HA -0.197 4.057 4.320 -0.110 0.000 0.217 370 A C 2.108 179.765 177.584 0.121 0.000 1.175 370 A CA 1.488 53.562 52.037 0.062 0.000 0.627 370 A CB -0.332 18.691 19.000 0.038 0.000 0.815 370 A HN 0.149 nan 8.150 nan 0.000 0.443 371 Q N -0.725 119.174 119.800 0.165 0.000 2.079 371 Q HA -0.087 4.187 4.340 -0.110 0.000 0.200 371 Q C 2.015 178.225 176.000 0.350 0.000 0.974 371 Q CA 1.423 57.389 55.803 0.270 0.000 0.840 371 Q CB -0.550 28.440 28.738 0.420 0.000 0.898 371 Q HN 0.606 nan 8.270 nan 0.000 0.430 372 L N 0.257 121.705 121.223 0.375 0.000 2.046 372 L HA -0.093 4.181 4.340 -0.110 0.000 0.208 372 L C 1.986 179.002 176.870 0.243 0.000 1.077 372 L CA 2.051 57.126 54.840 0.390 0.000 0.747 372 L CB -0.941 41.247 42.059 0.214 0.000 0.896 372 L HN 0.175 nan 8.230 nan 0.000 0.432 373 A N -1.081 121.836 122.820 0.161 0.000 1.883 373 A HA -0.341 3.913 4.320 -0.110 0.000 0.217 373 A C 2.298 179.944 177.584 0.104 0.000 1.186 373 A CA 1.998 54.099 52.037 0.108 0.000 0.624 373 A CB -1.194 17.850 19.000 0.073 0.000 0.822 373 A HN 0.746 nan 8.150 nan 0.000 0.444 374 H N -0.111 118.979 119.070 0.033 0.000 2.319 374 H HA -0.061 4.429 4.556 -0.110 0.000 0.299 374 H C 1.926 177.223 175.328 -0.052 0.000 1.092 374 H CA 2.000 58.042 56.048 -0.009 0.000 1.302 374 H CB 0.025 29.780 29.762 -0.011 0.000 1.373 374 H HN 0.293 nan 8.280 nan 0.000 0.497 375 R N 0.006 120.463 120.500 -0.072 0.000 2.323 375 R HA -0.024 4.250 4.340 -0.110 0.000 0.198 375 R C 2.038 178.198 176.300 -0.234 0.000 0.988 375 R CA 0.519 56.481 56.100 -0.230 0.000 1.041 375 R CB -0.552 29.646 30.300 -0.171 0.000 0.926 375 R HN 0.399 nan 8.270 nan 0.000 0.476 376 I N 1.605 122.133 120.570 -0.069 0.000 2.361 376 I HA -0.306 3.798 4.170 -0.110 0.000 0.251 376 I C 2.159 178.189 176.117 -0.144 0.000 1.133 376 I CA 1.046 62.361 61.300 0.025 0.000 1.413 376 I CB -0.229 37.811 38.000 0.067 0.000 1.073 376 I HN 0.238 nan 8.210 nan 0.000 0.424 377 C N -0.301 118.852 119.300 -0.245 0.000 2.403 377 C HA -0.151 4.243 4.460 -0.110 0.000 0.279 377 C C 2.102 176.876 174.990 -0.361 0.000 1.269 377 C CA 0.685 59.517 59.018 -0.310 0.000 1.774 377 C CB -1.803 25.765 27.740 -0.286 0.000 1.993 377 C HN 0.483 nan 8.230 nan 0.000 0.496 378 D N -0.230 119.887 120.400 -0.471 0.000 2.348 378 D HA -0.024 4.550 4.640 -0.110 0.000 0.216 378 D C 0.999 176.963 176.300 -0.559 0.000 0.970 378 D CA 1.116 54.781 54.000 -0.560 0.000 0.889 378 D CB -0.276 40.092 40.800 -0.719 0.000 0.912 378 D HN 0.672 nan 8.370 nan 0.000 0.524 379 Y N 0.081 120.226 120.300 -0.259 0.000 2.500 379 Y HA 0.295 4.779 4.550 -0.110 0.000 0.246 379 Y C 0.806 176.507 175.900 -0.331 0.000 1.146 379 Y CA -0.600 57.248 58.100 -0.419 0.000 1.230 379 Y CB 0.091 38.183 38.460 -0.613 0.000 1.214 379 Y HN -0.198 nan 8.280 nan 0.000 0.526 380 L N 4.550 125.652 121.223 -0.202 0.000 2.455 380 L HA 0.162 4.436 4.340 -0.110 0.000 0.272 380 L C -1.939 174.768 176.870 -0.272 0.000 1.174 380 L CA -1.743 52.938 54.840 -0.265 0.000 0.869 380 L CB 0.244 41.896 42.059 -0.678 0.000 1.130 380 L HN -0.069 nan 8.230 nan 0.000 0.474 381 P HA 0.047 nan 4.420 nan 0.000 0.271 381 P C -0.475 176.687 177.300 -0.229 0.000 1.218 381 P CA -0.340 62.367 63.100 -0.654 0.000 0.780 381 P CB 0.688 31.745 31.700 -1.072 0.000 0.901 382 E N 2.493 122.542 120.200 -0.252 0.000 2.384 382 E HA -0.029 4.255 4.350 -0.110 0.000 0.266 382 E C 0.486 177.040 176.600 -0.077 0.000 1.012 382 E CA 0.333 56.680 56.400 -0.087 0.000 0.901 382 E CB 0.273 29.914 29.700 -0.099 0.000 0.967 382 E HN 0.329 nan 8.360 nan 0.000 0.435 383 Q N -0.502 119.280 119.800 -0.031 0.000 2.503 383 Q HA -0.186 4.088 4.340 -0.110 0.000 0.267 383 Q C 0.157 176.085 176.000 -0.120 0.000 1.030 383 Q CA 1.300 57.053 55.803 -0.084 0.000 1.041 383 Q CB -2.086 26.613 28.738 -0.065 0.000 1.406 383 Q HN 0.750 nan 8.270 nan 0.000 0.524 384 G N -0.679 108.039 108.800 -0.137 0.000 3.119 384 G HA2 0.698 4.592 3.960 -0.110 0.000 0.206 384 G HA3 0.698 4.592 3.960 -0.110 0.000 0.206 384 G C -0.938 173.854 174.900 -0.181 0.000 1.313 384 G CA -0.317 44.730 45.100 -0.089 0.000 1.010 384 G HN 0.039 nan 8.290 nan 0.000 0.578 385 Q N -1.104 118.738 119.800 0.069 0.000 2.313 385 Q HA 0.442 4.716 4.340 -0.110 0.000 0.260 385 Q C -2.063 174.146 176.000 0.349 0.000 0.972 385 Q CA -0.660 55.233 55.803 0.150 0.000 0.886 385 Q CB 2.522 31.354 28.738 0.157 0.000 1.373 385 Q HN 0.441 nan 8.270 nan 0.000 0.416 386 L N 4.326 125.795 121.223 0.411 0.000 2.287 386 L HA 0.599 4.873 4.340 -0.110 0.000 0.287 386 L C -1.740 175.347 176.870 0.362 0.000 1.022 386 L CA -0.223 54.827 54.840 0.350 0.000 0.814 386 L CB 0.904 43.126 42.059 0.271 0.000 1.217 386 L HN 0.598 nan 8.230 nan 0.000 0.420 387 F N 5.978 126.047 119.950 0.198 0.000 2.388 387 F HA 0.586 5.047 4.527 -0.110 0.000 0.358 387 F C -0.917 174.945 175.800 0.104 0.000 1.122 387 F CA -0.608 57.492 58.000 0.167 0.000 1.056 387 F CB 1.486 40.563 39.000 0.128 0.000 1.155 387 F HN 0.288 nan 8.300 nan 0.000 0.461 388 V N 7.347 126.934 119.914 -0.545 0.000 2.398 388 V HA 0.776 4.830 4.120 -0.110 0.000 0.286 388 V C 0.300 176.029 176.094 -0.608 0.000 1.026 388 V CA -0.047 62.010 62.300 -0.405 0.000 0.868 388 V CB 0.967 32.670 31.823 -0.200 0.000 0.982 388 V HN 0.951 nan 8.190 nan 0.000 0.443 389 G N 4.959 113.545 108.800 -0.357 0.000 2.543 389 G HA2 0.316 4.210 3.960 -0.110 0.000 0.290 389 G HA3 0.316 4.210 3.960 -0.110 0.000 0.290 389 G C -0.142 174.651 174.900 -0.180 0.000 1.310 389 G CA -0.727 44.213 45.100 -0.266 0.000 1.025 389 G HN 0.712 nan 8.290 nan 0.000 0.502 390 N N -1.000 117.628 118.700 -0.120 0.000 2.447 390 N HA 0.475 5.149 4.740 -0.110 0.000 0.271 390 N C 0.658 176.120 175.510 -0.080 0.000 1.226 390 N CA 0.168 53.162 53.050 -0.094 0.000 0.980 390 N CB 1.416 39.860 38.487 -0.072 0.000 1.206 390 N HN 0.632 nan 8.380 nan 0.000 0.558 391 S N -0.958 114.691 115.700 -0.085 0.000 4.001 391 S HA -0.209 4.195 4.470 -0.110 0.000 0.628 391 S C 1.318 175.857 174.600 -0.101 0.000 2.073 391 S CA 0.477 58.612 58.200 -0.109 0.000 3.995 391 S CB -1.393 61.740 63.200 -0.112 0.000 0.226 391 S HN 0.515 nan 8.310 nan 0.000 0.729 392 L N 1.182 122.346 121.223 -0.098 0.000 2.093 392 L HA -0.032 4.242 4.340 -0.110 0.000 0.208 392 L C 2.504 179.340 176.870 -0.057 0.000 1.085 392 L CA 1.738 56.531 54.840 -0.078 0.000 0.755 392 L CB -0.438 41.580 42.059 -0.068 0.000 0.904 392 L HN 0.541 nan 8.230 nan 0.000 0.435 393 V N -0.673 119.208 119.914 -0.054 0.000 2.287 393 V HA -0.274 3.780 4.120 -0.110 0.000 0.248 393 V C 2.379 178.444 176.094 -0.048 0.000 1.053 393 V CA 2.118 64.392 62.300 -0.042 0.000 1.027 393 V CB 0.140 31.938 31.823 -0.041 0.000 0.646 393 V HN 0.294 nan 8.190 nan 0.000 0.447 394 V N 0.008 119.881 119.914 -0.068 0.000 2.515 394 V HA -0.208 3.846 4.120 -0.110 0.000 0.250 394 V C 2.649 178.708 176.094 -0.057 0.000 1.058 394 V CA 2.488 64.743 62.300 -0.074 0.000 1.064 394 V CB -0.575 31.190 31.823 -0.096 0.000 0.675 394 V HN 0.596 nan 8.190 nan 0.000 0.461 395 R N -0.758 119.708 120.500 -0.056 0.000 2.090 395 R HA 0.014 4.288 4.340 -0.110 0.000 0.228 395 R C 2.216 178.494 176.300 -0.036 0.000 1.110 395 R CA 1.574 57.644 56.100 -0.050 0.000 0.973 395 R CB -0.279 29.988 30.300 -0.056 0.000 0.869 395 R HN 0.449 nan 8.270 nan 0.000 0.440 396 L N 0.132 121.338 121.223 -0.028 0.000 2.044 396 L HA -0.113 4.161 4.340 -0.110 0.000 0.205 396 L C 2.283 179.156 176.870 0.005 0.000 1.075 396 L CA 1.139 55.974 54.840 -0.007 0.000 0.747 396 L CB -0.333 41.727 42.059 0.002 0.000 0.903 396 L HN 0.148 nan 8.230 nan 0.000 0.435 397 I N 0.223 120.791 120.570 -0.003 0.000 2.208 397 I HA -0.344 3.760 4.170 -0.110 0.000 0.245 397 I C 2.195 178.305 176.117 -0.012 0.000 1.097 397 I CA 1.798 63.095 61.300 -0.004 0.000 1.363 397 I CB -0.374 37.617 38.000 -0.015 0.000 1.051 397 I HN 0.341 nan 8.210 nan 0.000 0.413 398 D N 0.740 121.126 120.400 -0.024 0.000 2.144 398 D HA -0.168 4.406 4.640 -0.110 0.000 0.199 398 D C 2.089 178.374 176.300 -0.026 0.000 0.984 398 D CA 1.489 55.471 54.000 -0.029 0.000 0.834 398 D CB 0.136 40.911 40.800 -0.041 0.000 0.955 398 D HN 0.331 nan 8.370 nan 0.000 0.465 399 A N -0.424 122.383 122.820 -0.022 0.000 1.903 399 A HA 0.122 4.376 4.320 -0.110 0.000 0.213 399 A C 2.038 179.635 177.584 0.021 0.000 1.185 399 A CA 0.637 52.661 52.037 -0.021 0.000 0.628 399 A CB -0.209 18.774 19.000 -0.027 0.000 0.830 399 A HN 0.341 nan 8.150 nan 0.000 0.446 400 L N -1.209 120.043 121.223 0.049 0.000 2.766 400 L HA 0.252 4.526 4.340 -0.110 0.000 0.242 400 L C 0.594 177.584 176.870 0.200 0.000 1.136 400 L CA 0.043 54.958 54.840 0.125 0.000 0.933 400 L CB 0.494 42.627 42.059 0.123 0.000 1.241 400 L HN 0.283 nan 8.230 nan 0.000 0.522 401 S N 0.056 115.794 115.700 0.064 0.000 2.570 401 S HA 0.375 4.779 4.470 -0.110 0.000 0.286 401 S C -1.001 173.576 174.600 -0.039 0.000 1.099 401 S CA -0.422 57.756 58.200 -0.037 0.000 0.913 401 S CB 2.177 65.335 63.200 -0.071 0.000 1.085 401 S HN 0.209 nan 8.310 nan 0.000 0.480 402 Q N 4.173 123.922 119.800 -0.085 0.000 2.456 402 Q HA 0.440 4.714 4.340 -0.110 0.000 0.252 402 Q C -1.218 174.727 176.000 -0.092 0.000 1.042 402 Q CA -0.480 55.286 55.803 -0.061 0.000 0.766 402 Q CB 0.519 29.227 28.738 -0.050 0.000 1.196 402 Q HN 0.666 nan 8.270 nan 0.000 0.504 403 L N 4.693 125.871 121.223 -0.075 0.000 2.417 403 L HA 0.394 4.668 4.340 -0.110 0.000 0.268 403 L C -1.978 174.854 176.870 -0.063 0.000 1.158 403 L CA -1.993 52.792 54.840 -0.091 0.000 0.819 403 L CB 0.360 42.380 42.059 -0.066 0.000 1.112 403 L HN 0.495 nan 8.230 nan 0.000 0.458 404 P HA 0.076 nan 4.420 nan 0.000 0.271 404 P C -0.587 176.731 177.300 0.029 0.000 1.216 404 P CA -0.350 62.733 63.100 -0.029 0.000 0.771 404 P CB 0.648 32.326 31.700 -0.036 0.000 0.864 405 A N 3.300 126.132 122.820 0.020 0.000 2.567 405 A HA 0.372 4.626 4.320 -0.110 0.000 0.240 405 A C 1.604 179.214 177.584 0.043 0.000 1.053 405 A CA 0.846 52.899 52.037 0.027 0.000 0.755 405 A CB -1.399 17.612 19.000 0.018 0.000 0.978 405 A HN 0.911 nan 8.150 nan 0.000 0.507 406 G N 0.363 109.182 108.800 0.030 0.000 2.179 406 G HA2 -0.288 3.606 3.960 -0.110 0.000 0.260 406 G HA3 -0.288 3.606 3.960 -0.110 0.000 0.260 406 G C 0.082 174.986 174.900 0.006 0.000 0.977 406 G CA 0.722 45.827 45.100 0.009 0.000 0.641 406 G HN 1.435 nan 8.290 nan 0.000 0.533 407 Y N 2.450 122.717 120.300 -0.055 0.000 2.404 407 Y HA 0.524 5.008 4.550 -0.110 0.000 0.344 407 Y C -1.976 173.874 175.900 -0.082 0.000 0.995 407 Y CA -2.426 55.639 58.100 -0.059 0.000 1.201 407 Y CB 1.229 39.652 38.460 -0.060 0.000 1.151 407 Y HN 0.024 nan 8.280 nan 0.000 0.517 408 P HA -0.010 nan 4.420 nan 0.000 0.260 408 P C -1.171 175.995 177.300 -0.223 0.000 1.185 408 P CA 0.449 63.373 63.100 -0.293 0.000 0.763 408 P CB 0.442 32.013 31.700 -0.214 0.000 0.776 409 V N 5.773 125.445 119.914 -0.403 0.000 2.555 409 V HA 0.442 4.496 4.120 -0.110 0.000 0.302 409 V C -0.544 175.195 176.094 -0.591 0.000 1.038 409 V CA -0.441 61.687 62.300 -0.287 0.000 0.887 409 V CB 1.219 32.968 31.823 -0.124 0.000 0.991 409 V HN 0.376 nan 8.190 nan 0.000 0.434 410 Y N 1.776 122.136 120.300 0.100 0.000 2.536 410 Y HA 0.806 5.290 4.550 -0.110 0.000 0.347 410 Y C 0.313 176.231 175.900 0.031 0.000 1.000 410 Y CA -0.585 57.613 58.100 0.163 0.000 1.051 410 Y CB 2.545 41.198 38.460 0.321 0.000 1.259 410 Y HN 0.774 nan 8.280 nan 0.000 0.468 411 S N 0.473 116.307 115.700 0.222 0.000 2.595 411 S HA 0.449 4.853 4.470 -0.110 0.000 0.270 411 S C -1.995 172.685 174.600 0.132 0.000 1.145 411 S CA -1.224 56.928 58.200 -0.080 0.000 0.825 411 S CB 1.308 64.409 63.200 -0.165 0.000 1.107 411 S HN 0.485 nan 8.310 nan 0.000 0.461 412 N N 1.269 120.009 118.700 0.067 0.000 2.955 412 N HA 0.387 5.061 4.740 -0.110 0.000 0.242 412 N C -0.141 175.376 175.510 0.011 0.000 1.123 412 N CA -0.507 52.595 53.050 0.086 0.000 0.949 412 N CB 0.584 39.145 38.487 0.123 0.000 1.214 412 N HN 0.410 nan 8.380 nan 0.000 0.504 413 R N 0.093 120.596 120.500 0.004 0.000 2.509 413 R HA 0.233 4.507 4.340 -0.110 0.000 0.300 413 R C 1.464 177.763 176.300 -0.002 0.000 0.985 413 R CA -0.230 55.861 56.100 -0.015 0.000 1.092 413 R CB 0.253 30.535 30.300 -0.030 0.000 1.237 413 R HN 0.406 nan 8.270 nan 0.000 0.546 414 G N 0.995 109.800 108.800 0.010 0.000 2.679 414 G HA2 -0.192 3.702 3.960 -0.110 0.000 0.214 414 G HA3 -0.192 3.702 3.960 -0.110 0.000 0.214 414 G C 1.142 176.045 174.900 0.005 0.000 1.315 414 G CA 0.873 45.978 45.100 0.010 0.000 0.836 414 G HN 0.330 nan 8.290 nan 0.000 0.580 415 A N -1.088 121.734 122.820 0.003 0.000 2.218 415 A HA 0.463 4.717 4.320 -0.110 0.000 0.209 415 A C 1.524 179.106 177.584 -0.004 0.000 1.168 415 A CA 1.290 53.326 52.037 -0.003 0.000 0.804 415 A CB -0.156 18.834 19.000 -0.017 0.000 0.834 415 A HN 0.936 nan 8.150 nan 0.000 0.482 416 S N -1.236 114.460 115.700 -0.005 0.000 3.635 416 S HA -0.143 4.261 4.470 -0.110 0.000 0.328 416 S C 0.772 175.358 174.600 -0.024 0.000 1.135 416 S CA 0.350 58.541 58.200 -0.016 0.000 0.942 416 S CB -1.833 61.357 63.200 -0.016 0.000 0.930 416 S HN 1.414 nan 8.310 nan 0.000 0.512 417 G N 0.782 109.565 108.800 -0.028 0.000 2.406 417 G HA2 0.456 4.350 3.960 -0.110 0.000 0.251 417 G HA3 0.456 4.350 3.960 -0.110 0.000 0.251 417 G C 0.800 175.626 174.900 -0.123 0.000 1.271 417 G CA -0.287 44.772 45.100 -0.068 0.000 0.859 417 G HN 0.837 nan 8.290 nan 0.000 0.540 418 I N 0.024 120.498 120.570 -0.160 0.000 3.810 418 I HA 0.179 4.283 4.170 -0.110 0.000 0.322 418 I C 0.922 176.746 176.117 -0.488 0.000 1.288 418 I CA -0.032 61.159 61.300 -0.182 0.000 1.143 418 I CB 0.271 38.261 38.000 -0.017 0.000 1.012 418 I HN 0.389 nan 8.210 nan 0.000 0.423 419 D N 0.928 120.888 120.400 -0.733 0.000 2.367 419 D HA 0.057 4.631 4.640 -0.110 0.000 0.207 419 D C 1.512 177.373 176.300 -0.732 0.000 1.034 419 D CA 0.710 53.972 54.000 -1.230 0.000 0.861 419 D CB 0.287 40.459 40.800 -1.047 0.000 0.943 419 D HN 0.413 nan 8.370 nan 0.000 0.515 420 G N 0.382 108.745 108.800 -0.728 0.000 3.979 420 G HA2 0.219 4.113 3.960 -0.110 0.000 0.287 420 G HA3 0.219 4.113 3.960 -0.110 0.000 0.287 420 G C 1.294 175.919 174.900 -0.457 0.000 1.011 420 G CA -0.262 44.202 45.100 -1.059 0.000 0.818 420 G HN 0.140 nan 8.290 nan 0.000 0.470 421 L N 0.099 121.199 121.223 -0.204 0.000 2.141 421 L HA 0.041 4.315 4.340 -0.110 0.000 0.209 421 L C 2.596 179.459 176.870 -0.012 0.000 1.094 421 L CA 0.882 55.752 54.840 0.050 0.000 0.763 421 L CB -0.269 41.872 42.059 0.138 0.000 0.908 421 L HN 0.208 nan 8.230 nan 0.000 0.437 422 L N -0.767 120.402 121.223 -0.089 0.000 2.127 422 L HA -0.075 4.199 4.340 -0.110 0.000 0.203 422 L C 2.858 179.600 176.870 -0.212 0.000 1.080 422 L CA 1.265 56.032 54.840 -0.121 0.000 0.768 422 L CB -0.736 41.271 42.059 -0.087 0.000 0.924 422 L HN 0.328 nan 8.230 nan 0.000 0.444 423 S N -1.121 114.447 115.700 -0.220 0.000 2.402 423 S HA -0.143 4.261 4.470 -0.110 0.000 0.229 423 S C 1.931 176.375 174.600 -0.260 0.000 1.021 423 S CA 1.497 59.547 58.200 -0.251 0.000 0.974 423 S CB -0.766 62.310 63.200 -0.208 0.000 0.800 423 S HN 0.318 nan 8.310 nan 0.000 0.484 424 T N 2.915 117.313 114.554 -0.260 0.000 2.708 424 T HA 0.050 4.334 4.350 -0.110 0.000 0.266 424 T C 2.273 176.582 174.700 -0.651 0.000 1.037 424 T CA 1.399 63.289 62.100 -0.349 0.000 1.146 424 T CB -0.895 67.838 68.868 -0.226 0.000 0.865 424 T HN 0.612 nan 8.240 nan 0.000 0.435 425 A N 1.694 124.000 122.820 -0.857 0.000 1.892 425 A HA -0.024 4.230 4.320 -0.110 0.000 0.218 425 A C 2.661 179.988 177.584 -0.428 0.000 1.188 425 A CA 2.194 53.758 52.037 -0.789 0.000 0.631 425 A CB -1.267 17.463 19.000 -0.451 0.000 0.822 425 A HN 0.532 nan 8.150 nan 0.000 0.447 426 A N -0.690 121.932 122.820 -0.330 0.000 1.883 426 A HA 0.071 4.325 4.320 -0.110 0.000 0.217 426 A C 2.471 179.892 177.584 -0.273 0.000 1.186 426 A CA 2.146 54.032 52.037 -0.252 0.000 0.624 426 A CB -1.480 17.376 19.000 -0.241 0.000 0.822 426 A HN 0.830 nan 8.150 nan 0.000 0.444 427 G N -0.785 107.817 108.800 -0.329 0.000 2.422 427 G HA2 -0.079 3.815 3.960 -0.110 0.000 0.218 427 G HA3 -0.079 3.815 3.960 -0.110 0.000 0.218 427 G C 1.511 176.197 174.900 -0.356 0.000 1.146 427 G CA 1.117 45.996 45.100 -0.367 0.000 0.769 427 G HN 0.313 nan 8.290 nan 0.000 0.547 428 V N 1.463 121.150 119.914 -0.377 0.000 2.282 428 V HA -0.275 3.779 4.120 -0.110 0.000 0.249 428 V C 2.943 178.865 176.094 -0.285 0.000 1.057 428 V CA 2.600 64.665 62.300 -0.392 0.000 1.032 428 V CB -0.415 31.137 31.823 -0.451 0.000 0.645 428 V HN 0.642 nan 8.190 nan 0.000 0.447 429 Q N 0.822 120.496 119.800 -0.211 0.000 2.123 429 Q HA -0.143 4.131 4.340 -0.110 0.000 0.199 429 Q C 2.083 178.022 176.000 -0.102 0.000 0.966 429 Q CA 1.642 57.376 55.803 -0.116 0.000 0.845 429 Q CB -0.577 28.134 28.738 -0.045 0.000 0.907 429 Q HN 0.546 nan 8.270 nan 0.000 0.439 430 R N 0.308 120.729 120.500 -0.132 0.000 2.189 430 R HA 0.067 4.341 4.340 -0.110 0.000 0.223 430 R C 2.170 178.411 176.300 -0.098 0.000 1.092 430 R CA 0.955 57.003 56.100 -0.087 0.000 0.989 430 R CB -0.406 29.835 30.300 -0.099 0.000 0.876 430 R HN 0.433 nan 8.270 nan 0.000 0.457 431 A N 1.138 123.851 122.820 -0.179 0.000 1.854 431 A HA -0.131 4.123 4.320 -0.110 0.000 0.214 431 A C 2.197 179.754 177.584 -0.045 0.000 1.192 431 A CA 1.689 53.640 52.037 -0.144 0.000 0.611 431 A CB -0.330 18.542 19.000 -0.214 0.000 0.832 431 A HN 0.379 nan 8.150 nan 0.000 0.442 432 S N -2.165 113.489 115.700 -0.076 0.000 2.503 432 S HA 0.375 4.779 4.470 -0.110 0.000 0.217 432 S C 1.450 176.043 174.600 -0.011 0.000 0.999 432 S CA 1.057 59.235 58.200 -0.037 0.000 0.914 432 S CB -0.171 62.997 63.200 -0.052 0.000 0.782 432 S HN 1.945 nan 8.310 nan 0.000 0.520 433 G N 1.369 110.164 108.800 -0.009 0.000 2.160 433 G HA2 -0.260 3.634 3.960 -0.110 0.000 0.251 433 G HA3 -0.260 3.634 3.960 -0.110 0.000 0.251 433 G C -0.123 174.785 174.900 0.013 0.000 1.008 433 G CA 0.379 45.486 45.100 0.012 0.000 0.724 433 G HN 0.576 nan 8.290 nan 0.000 0.514 434 K N 0.364 120.766 120.400 0.003 0.000 2.123 434 K HA 0.498 4.752 4.320 -0.110 0.000 0.248 434 K C -2.505 174.118 176.600 0.039 0.000 0.969 434 K CA -2.177 54.114 56.287 0.006 0.000 0.882 434 K CB 1.498 33.990 32.500 -0.014 0.000 1.080 434 K HN -0.048 nan 8.250 nan 0.000 0.441 435 P HA 0.044 nan 4.420 nan 0.000 0.268 435 P C -1.038 176.336 177.300 0.124 0.000 1.205 435 P CA -0.010 63.142 63.100 0.087 0.000 0.771 435 P CB 0.595 32.250 31.700 -0.076 0.000 0.858 436 T N 3.411 118.140 114.554 0.292 0.000 2.879 436 T HA 0.390 4.674 4.350 -0.110 0.000 0.290 436 T C -0.780 174.192 174.700 0.453 0.000 0.993 436 T CA -0.395 61.879 62.100 0.290 0.000 0.975 436 T CB 0.703 69.681 68.868 0.183 0.000 0.981 436 T HN 0.129 nan 8.240 nan 0.000 0.439 437 L N 4.006 125.487 121.223 0.430 0.000 2.257 437 L HA 0.799 5.073 4.340 -0.110 0.000 0.290 437 L C -0.235 176.833 176.870 0.330 0.000 1.044 437 L CA -0.512 54.589 54.840 0.436 0.000 0.810 437 L CB 0.038 42.352 42.059 0.426 0.000 1.193 437 L HN 0.774 nan 8.230 nan 0.000 0.425 438 A N 6.798 129.788 122.820 0.282 0.000 2.318 438 A HA 0.838 5.092 4.320 -0.110 0.000 0.324 438 A C -0.759 176.940 177.584 0.191 0.000 1.170 438 A CA -0.490 51.722 52.037 0.291 0.000 0.810 438 A CB 0.530 19.702 19.000 0.287 0.000 1.198 438 A HN 0.688 nan 8.150 nan 0.000 0.484 439 I N 2.104 122.761 120.570 0.145 0.000 2.533 439 I HA 0.621 4.725 4.170 -0.110 0.000 0.290 439 I C -0.930 175.198 176.117 0.020 0.000 1.056 439 I CA -0.895 60.445 61.300 0.067 0.000 1.057 439 I CB 2.077 40.112 38.000 0.059 0.000 1.240 439 I HN 0.344 nan 8.210 nan 0.000 0.423 440 V N 3.434 123.345 119.914 -0.005 0.000 3.048 440 V HA 0.616 4.670 4.120 -0.110 0.000 0.303 440 V C 0.288 176.352 176.094 -0.048 0.000 1.214 440 V CA -0.496 61.792 62.300 -0.020 0.000 0.984 440 V CB 2.411 34.238 31.823 0.007 0.000 1.054 440 V HN 0.907 nan 8.190 nan 0.000 0.430 441 G N 1.335 110.117 108.800 -0.031 0.000 2.616 441 G HA2 0.295 4.189 3.960 -0.110 0.000 0.268 441 G HA3 0.295 4.189 3.960 -0.110 0.000 0.268 441 G C 0.729 175.626 174.900 -0.004 0.000 1.213 441 G CA 0.453 45.542 45.100 -0.017 0.000 0.926 441 G HN 0.846 nan 8.290 nan 0.000 0.523 442 D N -0.388 120.043 120.400 0.053 0.000 2.103 442 D HA -0.150 4.424 4.640 -0.110 0.000 0.199 442 D C 2.410 178.858 176.300 0.246 0.000 0.978 442 D CA 0.647 54.751 54.000 0.172 0.000 0.829 442 D CB -0.248 40.720 40.800 0.280 0.000 0.981 442 D HN 0.340 nan 8.370 nan 0.000 0.464 443 L N 0.900 122.233 121.223 0.183 0.000 2.079 443 L HA -0.166 4.108 4.340 -0.110 0.000 0.210 443 L C 2.765 179.770 176.870 0.225 0.000 1.081 443 L CA 1.189 56.145 54.840 0.193 0.000 0.752 443 L CB -0.484 41.681 42.059 0.177 0.000 0.896 443 L HN 0.040 nan 8.230 nan 0.000 0.433 444 S N -0.064 115.737 115.700 0.168 0.000 2.368 444 S HA -0.110 4.294 4.470 -0.110 0.000 0.224 444 S C 2.212 176.897 174.600 0.142 0.000 1.029 444 S CA 1.136 59.419 58.200 0.139 0.000 0.988 444 S CB -0.218 63.014 63.200 0.053 0.000 0.838 444 S HN 0.503 nan 8.310 nan 0.000 0.462 445 A N 1.380 124.264 122.820 0.107 0.000 1.933 445 A HA 0.019 4.273 4.320 -0.110 0.000 0.218 445 A C 2.117 179.868 177.584 0.278 0.000 1.175 445 A CA 1.066 53.168 52.037 0.108 0.000 0.628 445 A CB -0.706 18.205 19.000 -0.149 0.000 0.814 445 A HN 0.430 nan 8.150 nan 0.000 0.444 446 L N -2.261 119.175 121.223 0.354 0.000 2.017 446 L HA -0.199 4.075 4.340 -0.110 0.000 0.208 446 L C 2.561 179.575 176.870 0.240 0.000 1.073 446 L CA 1.613 56.627 54.840 0.290 0.000 0.745 446 L CB -0.638 41.549 42.059 0.213 0.000 0.894 446 L HN 0.495 nan 8.230 nan 0.000 0.432 447 Y N 0.383 120.747 120.300 0.107 0.000 2.165 447 Y HA -0.287 4.197 4.550 -0.110 0.000 0.286 447 Y C 1.813 177.747 175.900 0.057 0.000 1.155 447 Y CA 1.722 59.865 58.100 0.071 0.000 1.164 447 Y CB -0.105 38.385 38.460 0.050 0.000 0.978 447 Y HN 0.173 nan 8.280 nan 0.000 0.513 448 D N -0.745 119.812 120.400 0.263 0.000 2.670 448 D HA 0.046 4.620 4.640 -0.110 0.000 0.255 448 D C 1.571 177.940 176.300 0.114 0.000 1.286 448 D CA -0.047 54.035 54.000 0.137 0.000 0.830 448 D CB -0.387 40.411 40.800 -0.004 0.000 1.065 448 D HN 0.227 nan 8.370 nan 0.000 0.486 449 L N 1.577 122.904 121.223 0.174 0.000 2.021 449 L HA -0.237 4.037 4.340 -0.110 0.000 0.215 449 L C 1.647 178.592 176.870 0.124 0.000 1.074 449 L CA 2.051 57.003 54.840 0.187 0.000 0.760 449 L CB -0.802 41.401 42.059 0.240 0.000 0.889 449 L HN 0.236 nan 8.230 nan 0.000 0.433 450 N N -0.287 118.518 118.700 0.176 0.000 2.550 450 N HA -0.060 4.614 4.740 -0.110 0.000 0.186 450 N C 1.493 177.022 175.510 0.032 0.000 1.110 450 N CA 1.099 54.280 53.050 0.218 0.000 0.912 450 N CB -0.649 38.144 38.487 0.510 0.000 0.968 450 N HN 0.370 nan 8.380 nan 0.000 0.448 451 A N 0.652 123.433 122.820 -0.066 0.000 2.121 451 A HA 0.071 4.325 4.320 -0.110 0.000 0.218 451 A C 2.103 179.502 177.584 -0.309 0.000 1.154 451 A CA 0.487 52.387 52.037 -0.229 0.000 0.679 451 A CB -0.729 18.149 19.000 -0.204 0.000 0.795 451 A HN 0.363 nan 8.150 nan 0.000 0.458 452 L N -0.902 120.088 121.223 -0.388 0.000 2.263 452 L HA -0.257 4.017 4.340 -0.110 0.000 0.216 452 L C 2.972 179.412 176.870 -0.717 0.000 1.111 452 L CA 0.846 55.367 54.840 -0.532 0.000 0.773 452 L CB -0.565 41.156 42.059 -0.563 0.000 0.906 452 L HN 0.468 nan 8.230 nan 0.000 0.439 453 A N 0.265 122.628 122.820 -0.761 0.000 1.933 453 A HA -0.168 4.086 4.320 -0.110 0.000 0.218 453 A C 2.249 179.793 177.584 -0.068 0.000 1.175 453 A CA 1.419 53.339 52.037 -0.196 0.000 0.628 453 A CB -0.547 18.649 19.000 0.327 0.000 0.814 453 A HN 0.385 nan 8.150 nan 0.000 0.444 454 L N -0.795 120.306 121.223 -0.203 0.000 2.093 454 L HA -0.109 4.165 4.340 -0.110 0.000 0.208 454 L C 2.263 179.062 176.870 -0.118 0.000 1.085 454 L CA 0.821 55.540 54.840 -0.202 0.000 0.755 454 L CB -0.428 41.405 42.059 -0.376 0.000 0.904 454 L HN 0.344 nan 8.230 nan 0.000 0.435 455 L N -0.581 120.562 121.223 -0.133 0.000 2.456 455 L HA -0.119 4.155 4.340 -0.110 0.000 0.224 455 L C 2.378 179.242 176.870 -0.009 0.000 1.148 455 L CA 0.534 55.329 54.840 -0.075 0.000 0.825 455 L CB -0.395 41.614 42.059 -0.083 0.000 0.937 455 L HN 0.201 nan 8.230 nan 0.000 0.450 456 R N -0.135 120.376 120.500 0.017 0.000 2.285 456 R HA -0.045 4.229 4.340 -0.110 0.000 0.213 456 R C 0.308 176.644 176.300 0.059 0.000 1.068 456 R CA 0.665 56.807 56.100 0.069 0.000 1.004 456 R CB 0.022 30.390 30.300 0.114 0.000 0.873 456 R HN 0.413 nan 8.270 nan 0.000 0.467 457 Q N 0.830 120.653 119.800 0.038 0.000 2.674 457 Q HA 0.231 4.505 4.340 -0.110 0.000 0.249 457 Q C -1.283 174.736 176.000 0.031 0.000 1.011 457 Q CA -0.388 55.442 55.803 0.044 0.000 0.734 457 Q CB 1.891 30.662 28.738 0.054 0.000 1.201 457 Q HN 0.026 nan 8.270 nan 0.000 0.498 458 V N -1.399 118.537 119.914 0.037 0.000 2.914 458 V HA 0.576 4.630 4.120 -0.110 0.000 0.314 458 V C 0.791 176.914 176.094 0.049 0.000 1.084 458 V CA -0.544 61.777 62.300 0.034 0.000 0.963 458 V CB 1.974 33.816 31.823 0.033 0.000 1.025 458 V HN 0.555 nan 8.190 nan 0.000 0.432 459 S N 1.218 116.947 115.700 0.048 0.000 2.548 459 S HA 0.684 5.088 4.470 -0.110 0.000 0.215 459 S C 0.624 175.260 174.600 0.061 0.000 0.976 459 S CA 0.346 58.578 58.200 0.053 0.000 0.908 459 S CB 0.079 63.309 63.200 0.049 0.000 0.781 459 S HN 1.971 nan 8.310 nan 0.000 0.519 460 A N 1.565 124.429 122.820 0.073 0.000 2.587 460 A HA 0.764 5.018 4.320 -0.110 0.000 0.293 460 A C -3.179 174.491 177.584 0.143 0.000 1.087 460 A CA -2.077 50.020 52.037 0.099 0.000 0.692 460 A CB 0.614 19.664 19.000 0.084 0.000 1.291 460 A HN 0.105 nan 8.150 nan 0.000 0.407 461 P HA 0.166 nan 4.420 nan 0.000 0.263 461 P C -0.810 176.677 177.300 0.312 0.000 1.175 461 P CA 0.543 63.808 63.100 0.275 0.000 0.761 461 P CB 0.432 32.421 31.700 0.480 0.000 0.794 462 L N 4.051 125.392 121.223 0.197 0.000 2.356 462 L HA 0.421 4.695 4.340 -0.110 0.000 0.277 462 L C -0.817 176.096 176.870 0.071 0.000 0.996 462 L CA -0.889 54.058 54.840 0.179 0.000 0.822 462 L CB 1.879 43.998 42.059 0.100 0.000 1.256 462 L HN 0.021 nan 8.230 nan 0.000 0.413 463 V N 5.918 125.876 119.914 0.074 0.000 2.334 463 V HA 0.293 4.347 4.120 -0.110 0.000 0.281 463 V C -0.273 175.852 176.094 0.051 0.000 1.016 463 V CA -0.498 61.769 62.300 -0.056 0.000 0.832 463 V CB 1.542 33.243 31.823 -0.203 0.000 0.999 463 V HN 0.511 nan 8.190 nan 0.000 0.439 464 L N 7.473 128.703 121.223 0.010 0.000 2.270 464 L HA 0.524 4.798 4.340 -0.110 0.000 0.286 464 L C -0.107 176.748 176.870 -0.025 0.000 1.059 464 L CA 0.372 55.224 54.840 0.019 0.000 0.839 464 L CB 0.404 42.467 42.059 0.006 0.000 1.221 464 L HN 0.491 nan 8.230 nan 0.000 0.431 465 I N 5.348 125.916 120.570 -0.003 0.000 2.471 465 I HA 0.163 4.267 4.170 -0.110 0.000 0.286 465 I C -0.330 175.738 176.117 -0.081 0.000 1.079 465 I CA -0.365 60.904 61.300 -0.051 0.000 1.398 465 I CB 1.035 39.030 38.000 -0.008 0.000 1.403 465 I HN 0.225 nan 8.210 nan 0.000 0.530 466 V N 7.793 127.621 119.914 -0.143 0.000 2.284 466 V HA 0.149 4.203 4.120 -0.110 0.000 0.274 466 V C 0.148 176.156 176.094 -0.143 0.000 1.023 466 V CA -0.690 61.476 62.300 -0.223 0.000 0.808 466 V CB 1.225 32.740 31.823 -0.513 0.000 1.035 466 V HN 0.407 nan 8.190 nan 0.000 0.445 467 V N 4.491 124.349 119.914 -0.093 0.000 2.403 467 V HA 0.127 4.181 4.120 -0.110 0.000 0.265 467 V C 0.602 176.686 176.094 -0.016 0.000 1.034 467 V CA 0.042 62.307 62.300 -0.057 0.000 1.036 467 V CB 0.475 32.269 31.823 -0.049 0.000 1.032 467 V HN 0.841 nan 8.190 nan 0.000 0.478 468 N N 5.127 123.847 118.700 0.034 0.000 2.527 468 N HA 0.187 4.860 4.740 -0.110 0.000 0.236 468 N C 0.227 175.789 175.510 0.087 0.000 0.999 468 N CA -0.605 52.516 53.050 0.117 0.000 0.935 468 N CB 0.670 39.314 38.487 0.261 0.000 1.132 468 N HN 0.692 nan 8.380 nan 0.000 0.511 469 N N 2.356 121.095 118.700 0.065 0.000 2.389 469 N HA 0.105 4.779 4.740 -0.110 0.000 0.260 469 N C -0.471 175.072 175.510 0.056 0.000 1.191 469 N CA -0.520 52.559 53.050 0.048 0.000 0.885 469 N CB -0.467 38.036 38.487 0.026 0.000 1.162 469 N HN 0.297 nan 8.380 nan 0.000 0.512 470 N N 0.577 119.315 118.700 0.064 0.000 2.666 470 N HA -0.132 4.542 4.740 -0.110 0.000 0.274 470 N C 0.075 175.620 175.510 0.059 0.000 1.043 470 N CA 1.657 54.736 53.050 0.047 0.000 0.782 470 N CB -1.210 37.291 38.487 0.022 0.000 0.912 470 N HN 0.943 nan 8.380 nan 0.000 0.556 471 G N -1.163 107.686 108.800 0.081 0.000 2.353 471 G HA2 0.386 4.280 3.960 -0.110 0.000 0.424 471 G HA3 0.386 4.280 3.960 -0.110 0.000 0.424 471 G C -0.007 174.967 174.900 0.123 0.000 1.320 471 G CA -0.073 45.090 45.100 0.105 0.000 0.995 471 G HN 0.811 nan 8.290 nan 0.000 0.580 472 G N -0.206 108.705 108.800 0.186 0.000 2.770 472 G HA2 0.460 4.354 3.960 -0.110 0.000 0.307 472 G HA3 0.460 4.354 3.960 -0.110 0.000 0.307 472 G C 0.772 175.746 174.900 0.123 0.000 0.863 472 G CA -0.021 45.182 45.100 0.170 0.000 1.595 472 G HN 0.513 nan 8.290 nan 0.000 0.496 473 Q N 1.966 121.784 119.800 0.030 0.000 2.472 473 Q HA -0.071 4.203 4.340 -0.110 0.000 0.208 473 Q C 2.262 178.215 176.000 -0.079 0.000 0.958 473 Q CA -0.142 55.671 55.803 0.017 0.000 0.932 473 Q CB 0.012 28.760 28.738 0.017 0.000 1.007 473 Q HN 0.722 nan 8.270 nan 0.000 0.508 474 I N 0.465 120.896 120.570 -0.233 0.000 2.229 474 I HA -0.300 3.804 4.170 -0.110 0.000 0.250 474 I C 1.155 177.075 176.117 -0.327 0.000 1.096 474 I CA 1.479 62.560 61.300 -0.366 0.000 1.358 474 I CB -0.183 37.457 38.000 -0.601 0.000 1.047 474 I HN -0.008 nan 8.210 nan 0.000 0.422 475 F N -0.290 119.683 119.950 0.038 0.000 2.811 475 F HA 0.102 4.563 4.527 -0.110 0.000 0.301 475 F C 2.401 178.179 175.800 -0.037 0.000 1.151 475 F CA 0.572 58.578 58.000 0.011 0.000 1.412 475 F CB -0.903 38.146 39.000 0.082 0.000 1.113 475 F HN -0.032 nan 8.300 nan 0.000 0.579 476 S N 0.067 115.824 115.700 0.094 0.000 2.425 476 S HA -0.046 4.358 4.470 -0.110 0.000 0.225 476 S C 1.989 176.597 174.600 0.013 0.000 1.024 476 S CA 0.280 58.506 58.200 0.044 0.000 0.951 476 S CB -0.270 62.951 63.200 0.035 0.000 0.796 476 S HN 0.301 nan 8.310 nan 0.000 0.498 477 L N 2.080 123.297 121.223 -0.010 0.000 1.976 477 L HA 0.098 4.372 4.340 -0.110 0.000 0.209 477 L C 0.246 177.111 176.870 -0.008 0.000 1.071 477 L CA 1.494 56.322 54.840 -0.020 0.000 0.746 477 L CB -0.781 41.251 42.059 -0.045 0.000 0.890 477 L HN 0.203 nan 8.230 nan 0.000 0.432 478 L N 1.697 122.924 121.223 0.006 0.000 2.490 478 L HA 0.136 4.410 4.340 -0.110 0.000 0.274 478 L C -1.631 175.242 176.870 0.005 0.000 1.201 478 L CA -1.218 53.638 54.840 0.026 0.000 0.869 478 L CB -0.490 41.622 42.059 0.089 0.000 1.123 478 L HN 0.146 nan 8.230 nan 0.000 0.484 479 P HA -0.007 nan 4.420 nan 0.000 0.238 479 P C -0.141 177.122 177.300 -0.063 0.000 1.649 479 P CA -0.209 62.876 63.100 -0.025 0.000 0.960 479 P CB -1.001 30.692 31.700 -0.011 0.000 1.911 480 T N -0.784 113.696 114.554 -0.124 0.000 2.904 480 T HA 0.393 4.677 4.350 -0.110 0.000 0.290 480 T C -2.215 172.356 174.700 -0.215 0.000 1.018 480 T CA -2.109 59.815 62.100 -0.293 0.000 1.075 480 T CB 0.085 68.557 68.868 -0.660 0.000 0.986 480 T HN 0.072 nan 8.240 nan 0.000 0.523 481 P HA 0.213 nan 4.420 nan 0.000 0.276 481 P C 0.449 177.728 177.300 -0.036 0.000 1.243 481 P CA -0.356 62.705 63.100 -0.065 0.000 0.768 481 P CB 0.844 32.541 31.700 -0.004 0.000 0.856 482 Q N 1.048 120.841 119.800 -0.012 0.000 2.368 482 Q HA -0.129 4.145 4.340 -0.110 0.000 0.210 482 Q C 1.915 177.937 176.000 0.037 0.000 0.982 482 Q CA 1.363 57.170 55.803 0.008 0.000 0.884 482 Q CB -0.194 28.549 28.738 0.009 0.000 0.933 482 Q HN 0.497 nan 8.270 nan 0.000 0.460 483 S N 0.765 116.497 115.700 0.053 0.000 2.377 483 S HA -0.089 4.314 4.470 -0.110 0.000 0.223 483 S C 1.551 176.223 174.600 0.121 0.000 1.030 483 S CA 0.916 59.160 58.200 0.073 0.000 0.970 483 S CB 0.205 63.446 63.200 0.068 0.000 0.830 483 S HN 0.422 nan 8.310 nan 0.000 0.473 484 E N 0.609 120.920 120.200 0.185 0.000 2.498 484 E HA 0.135 4.419 4.350 -0.110 0.000 0.203 484 E C 1.676 178.496 176.600 0.367 0.000 1.013 484 E CA -0.120 56.475 56.400 0.326 0.000 0.927 484 E CB -0.354 29.616 29.700 0.450 0.000 1.012 484 E HN 0.369 nan 8.360 nan 0.000 0.482 485 R N 2.175 122.821 120.500 0.244 0.000 2.189 485 R HA -0.264 4.010 4.340 -0.110 0.000 0.252 485 R C 2.060 178.471 176.300 0.185 0.000 1.134 485 R CA 2.468 58.675 56.100 0.179 0.000 0.954 485 R CB -0.262 30.064 30.300 0.044 0.000 0.890 485 R HN 0.285 nan 8.270 nan 0.000 0.443 486 E N -0.623 119.641 120.200 0.106 0.000 2.014 486 E HA -0.182 4.102 4.350 -0.110 0.000 0.190 486 E C 2.146 178.733 176.600 -0.023 0.000 0.980 486 E CA 1.192 57.621 56.400 0.048 0.000 0.807 486 E CB -0.146 29.562 29.700 0.012 0.000 0.770 486 E HN 0.495 nan 8.360 nan 0.000 0.451 487 R N -0.524 119.893 120.500 -0.139 0.000 2.148 487 R HA -0.075 4.199 4.340 -0.110 0.000 0.223 487 R C 1.418 177.415 176.300 -0.505 0.000 1.088 487 R CA 1.359 57.228 56.100 -0.384 0.000 0.985 487 R CB -0.201 29.748 30.300 -0.586 0.000 0.880 487 R HN 0.121 nan 8.270 nan 0.000 0.451 488 F N -1.418 118.521 119.950 -0.018 0.000 2.704 488 F HA 0.306 4.767 4.527 -0.110 0.000 0.304 488 F C 0.719 176.311 175.800 -0.347 0.000 1.094 488 F CA -0.170 57.730 58.000 -0.166 0.000 1.275 488 F CB 0.423 39.297 39.000 -0.209 0.000 1.073 488 F HN -0.094 nan 8.300 nan 0.000 0.586 489 Y N -1.456 118.828 120.300 -0.027 0.000 2.817 489 Y HA 0.200 4.684 4.550 -0.110 0.000 0.257 489 Y C 1.935 177.807 175.900 -0.046 0.000 1.055 489 Y CA 0.130 58.090 58.100 -0.233 0.000 1.319 489 Y CB -0.191 38.100 38.460 -0.281 0.000 1.481 489 Y HN -0.259 nan 8.280 nan 0.000 0.471 490 L N -0.106 121.265 121.223 0.246 0.000 2.109 490 L HA -0.100 4.174 4.340 -0.110 0.000 0.207 490 L C 0.560 177.524 176.870 0.157 0.000 1.086 490 L CA 0.635 55.623 54.840 0.247 0.000 0.760 490 L CB -0.612 41.551 42.059 0.173 0.000 0.910 490 L HN 0.271 nan 8.230 nan 0.000 0.437 491 M N 0.531 120.176 119.600 0.074 0.000 2.405 491 M HA -0.136 4.278 4.480 -0.110 0.000 0.181 491 M C -2.159 174.161 176.300 0.034 0.000 0.878 491 M CA -0.339 54.975 55.300 0.023 0.000 0.537 491 M CB -1.826 30.784 32.600 0.016 0.000 1.090 491 M HN 0.037 nan 8.290 nan 0.000 0.874 492 P HA -0.011 nan 4.420 nan 0.000 0.269 492 P C 0.023 177.318 177.300 -0.008 0.000 1.209 492 P CA 0.380 63.492 63.100 0.019 0.000 0.776 492 P CB 0.630 32.335 31.700 0.010 0.000 0.876 493 Q N 0.612 120.403 119.800 -0.015 0.000 2.214 493 Q HA 0.091 4.365 4.340 -0.110 0.000 0.229 493 Q C -0.158 175.795 176.000 -0.078 0.000 0.835 493 Q CA -0.117 55.661 55.803 -0.041 0.000 0.953 493 Q CB -0.080 28.639 28.738 -0.031 0.000 1.131 493 Q HN 0.488 nan 8.270 nan 0.000 0.501 494 N N 0.587 119.233 118.700 -0.090 0.000 2.681 494 N HA -0.144 4.530 4.740 -0.110 0.000 0.259 494 N C -1.054 174.331 175.510 -0.207 0.000 1.066 494 N CA 0.455 53.425 53.050 -0.133 0.000 0.717 494 N CB -1.183 37.252 38.487 -0.086 0.000 0.885 494 N HN 0.066 nan 8.380 nan 0.000 0.547 495 V N 0.469 120.197 119.914 -0.310 0.000 3.130 495 V HA 0.580 4.634 4.120 -0.110 0.000 0.310 495 V C -0.574 175.181 176.094 -0.564 0.000 1.158 495 V CA -0.675 61.403 62.300 -0.369 0.000 1.029 495 V CB 2.681 34.314 31.823 -0.318 0.000 1.057 495 V HN 0.428 nan 8.190 nan 0.000 0.436 496 H N 1.886 120.797 119.070 -0.265 0.000 2.949 496 H HA 0.488 4.978 4.556 -0.110 0.000 0.356 496 H C -0.971 174.124 175.328 -0.389 0.000 1.212 496 H CA -0.465 55.479 56.048 -0.174 0.000 1.136 496 H CB 1.825 31.592 29.762 0.008 0.000 1.869 496 H HN 0.549 nan 8.280 nan 0.000 0.556 497 F N -0.363 119.701 119.950 0.189 0.000 2.654 497 F HA 0.165 4.626 4.527 -0.110 0.000 0.303 497 F C 2.035 177.685 175.800 -0.251 0.000 1.099 497 F CA -0.116 57.931 58.000 0.078 0.000 1.270 497 F CB 0.376 39.486 39.000 0.185 0.000 1.024 497 F HN 0.547 nan 8.300 nan 0.000 0.548 498 E N 0.157 120.017 120.200 -0.567 0.000 2.058 498 E HA -0.223 4.061 4.350 -0.110 0.000 0.194 498 E C 1.859 178.076 176.600 -0.638 0.000 0.997 498 E CA 1.588 57.219 56.400 -1.282 0.000 0.801 498 E CB -0.000 29.092 29.700 -1.013 0.000 0.746 498 E HN 0.455 nan 8.360 nan 0.000 0.450 499 H N -0.539 118.378 119.070 -0.254 0.000 2.395 499 H HA -0.002 4.488 4.556 -0.110 0.000 0.299 499 H C 2.078 177.358 175.328 -0.081 0.000 1.070 499 H CA 1.095 57.051 56.048 -0.153 0.000 1.356 499 H CB -0.279 29.410 29.762 -0.123 0.000 1.401 499 H HN 0.282 nan 8.280 nan 0.000 0.524 500 A N 1.659 124.544 122.820 0.108 0.000 1.869 500 A HA -0.241 4.013 4.320 -0.110 0.000 0.218 500 A C 2.746 180.491 177.584 0.268 0.000 1.203 500 A CA 2.440 54.615 52.037 0.230 0.000 0.638 500 A CB -1.114 18.091 19.000 0.342 0.000 0.831 500 A HN 0.450 nan 8.150 nan 0.000 0.450 501 A N -0.423 122.502 122.820 0.176 0.000 1.883 501 A HA 0.085 4.339 4.320 -0.110 0.000 0.217 501 A C 2.567 180.215 177.584 0.107 0.000 1.186 501 A CA 2.634 54.777 52.037 0.176 0.000 0.624 501 A CB -1.218 17.870 19.000 0.146 0.000 0.822 501 A HN 1.282 nan 8.150 nan 0.000 0.444 502 A N -0.722 122.091 122.820 -0.011 0.000 1.908 502 A HA -0.205 4.049 4.320 -0.110 0.000 0.218 502 A C 2.294 179.849 177.584 -0.048 0.000 1.181 502 A CA 2.128 54.145 52.037 -0.033 0.000 0.627 502 A CB -0.584 18.374 19.000 -0.071 0.000 0.818 502 A HN 0.669 nan 8.150 nan 0.000 0.445 503 M N -1.673 117.858 119.600 -0.116 0.000 2.108 503 M HA -0.130 4.284 4.480 -0.110 0.000 0.261 503 M C 0.622 176.632 176.300 -0.483 0.000 1.066 503 M CA 1.808 56.891 55.300 -0.362 0.000 1.107 503 M CB -0.115 32.125 32.600 -0.600 0.000 1.356 503 M HN 0.344 nan 8.290 nan 0.000 0.406 504 F N 0.977 120.963 119.950 0.059 0.000 2.639 504 F HA 0.247 4.708 4.527 -0.110 0.000 0.300 504 F C 0.215 176.048 175.800 0.055 0.000 1.109 504 F CA -0.176 57.865 58.000 0.068 0.000 1.335 504 F CB -0.469 38.584 39.000 0.090 0.000 1.014 504 F HN 0.185 nan 8.300 nan 0.000 0.537 505 E N 1.198 121.469 120.200 0.117 0.000 2.228 505 E HA -0.215 4.069 4.350 -0.110 0.000 0.213 505 E C -0.740 175.925 176.600 0.109 0.000 1.282 505 E CA 0.115 56.566 56.400 0.085 0.000 0.707 505 E CB -1.409 28.331 29.700 0.067 0.000 1.150 505 E HN 0.408 nan 8.360 nan 0.000 0.362 506 L N 0.506 121.807 121.223 0.129 0.000 2.334 506 L HA 0.430 4.704 4.340 -0.110 0.000 0.276 506 L C 0.613 177.542 176.870 0.098 0.000 1.014 506 L CA -1.190 53.723 54.840 0.121 0.000 0.815 506 L CB 1.316 43.467 42.059 0.153 0.000 1.268 506 L HN -0.067 nan 8.230 nan 0.000 0.428 507 K N 1.350 121.794 120.400 0.074 0.000 2.518 507 K HA 0.069 4.323 4.320 -0.110 0.000 0.276 507 K C -1.104 175.545 176.600 0.082 0.000 0.974 507 K CA 0.747 57.057 56.287 0.038 0.000 0.986 507 K CB 0.206 32.727 32.500 0.036 0.000 0.901 507 K HN 0.363 nan 8.250 nan 0.000 0.497 508 Y N 2.244 122.418 120.300 -0.211 0.000 2.470 508 Y HA 0.362 4.846 4.550 -0.110 0.000 0.341 508 Y C -1.158 174.491 175.900 -0.419 0.000 1.021 508 Y CA -0.662 57.328 58.100 -0.182 0.000 1.025 508 Y CB 1.333 39.727 38.460 -0.111 0.000 1.266 508 Y HN 0.645 nan 8.280 nan 0.000 0.448 509 H N 4.798 123.346 119.070 -0.871 0.000 2.851 509 H HA 0.473 4.963 4.556 -0.110 0.000 0.372 509 H C -1.124 173.609 175.328 -0.991 0.000 1.158 509 H CA -1.119 54.491 56.048 -0.731 0.000 1.159 509 H CB 2.656 32.159 29.762 -0.431 0.000 1.757 509 H HN 0.617 nan 8.280 nan 0.000 0.546 510 R N 2.896 123.110 120.500 -0.478 0.000 2.494 510 R HA 0.236 4.510 4.340 -0.110 0.000 0.284 510 R C -2.778 173.434 176.300 -0.146 0.000 1.525 510 R CA -1.574 54.355 56.100 -0.285 0.000 1.460 510 R CB 0.631 30.849 30.300 -0.137 0.000 1.134 510 R HN 0.384 nan 8.270 nan 0.000 0.592 511 P HA 0.062 nan 4.420 nan 0.000 0.271 511 P C -0.513 176.738 177.300 -0.083 0.000 1.218 511 P CA -0.036 62.994 63.100 -0.117 0.000 0.780 511 P CB 1.237 32.860 31.700 -0.129 0.000 0.901 512 Q N 0.950 120.614 119.800 -0.226 0.000 2.217 512 Q HA 0.117 4.391 4.340 -0.110 0.000 0.217 512 Q C -0.103 175.371 176.000 -0.876 0.000 0.844 512 Q CA -0.008 55.611 55.803 -0.308 0.000 0.957 512 Q CB 0.273 28.898 28.738 -0.189 0.000 1.127 512 Q HN 0.643 nan 8.270 nan 0.000 0.503 513 N N -3.111 114.862 118.700 -1.212 0.000 3.116 513 N HA 0.061 4.735 4.740 -0.110 0.000 0.244 513 N C -0.638 174.255 175.510 -1.028 0.000 1.485 513 N CA -0.844 51.182 53.050 -1.707 0.000 0.884 513 N CB -0.394 37.643 38.487 -0.749 0.000 1.415 513 N HN -0.079 nan 8.380 nan 0.000 0.524 514 W N -0.335 120.728 121.300 -0.395 0.000 2.308 514 W HA -0.155 4.439 4.660 -0.110 0.000 0.301 514 W C 1.943 178.491 176.519 0.048 0.000 1.220 514 W CA 0.954 58.345 57.345 0.077 0.000 1.240 514 W CB -0.165 29.396 29.460 0.168 0.000 1.142 514 W HN 0.581 nan 8.180 nan 0.000 0.521 515 Q N 0.020 119.919 119.800 0.164 0.000 2.123 515 Q HA -0.177 4.097 4.340 -0.110 0.000 0.199 515 Q C 1.991 178.015 176.000 0.040 0.000 0.966 515 Q CA 1.423 57.291 55.803 0.110 0.000 0.845 515 Q CB -0.283 28.489 28.738 0.057 0.000 0.907 515 Q HN 0.444 nan 8.270 nan 0.000 0.439 516 E N 0.381 120.548 120.200 -0.054 0.000 2.152 516 E HA -0.165 4.119 4.350 -0.110 0.000 0.192 516 E C 1.937 178.460 176.600 -0.129 0.000 0.983 516 E CA 0.488 56.830 56.400 -0.098 0.000 0.818 516 E CB 0.006 29.616 29.700 -0.149 0.000 0.758 516 E HN 0.172 nan 8.360 nan 0.000 0.467 517 L N 1.611 122.787 121.223 -0.078 0.000 2.056 517 L HA -0.163 4.111 4.340 -0.110 0.000 0.207 517 L C 1.859 178.635 176.870 -0.156 0.000 1.078 517 L CA 1.838 56.573 54.840 -0.175 0.000 0.749 517 L CB -0.102 41.967 42.059 0.018 0.000 0.901 517 L HN -0.032 nan 8.230 nan 0.000 0.433 518 E N -1.187 119.104 120.200 0.151 0.000 2.106 518 E HA -0.167 4.117 4.350 -0.110 0.000 0.192 518 E C 1.933 178.627 176.600 0.157 0.000 0.984 518 E CA 1.636 58.229 56.400 0.321 0.000 0.806 518 E CB -0.157 29.762 29.700 0.364 0.000 0.750 518 E HN 0.527 nan 8.360 nan 0.000 0.458 519 T N 0.942 115.513 114.554 0.029 0.000 2.652 519 T HA -0.230 4.054 4.350 -0.110 0.000 0.267 519 T C 2.006 176.597 174.700 -0.181 0.000 1.039 519 T CA 1.350 63.429 62.100 -0.036 0.000 1.153 519 T CB -0.429 68.416 68.868 -0.038 0.000 0.863 519 T HN 0.280 nan 8.240 nan 0.000 0.428 520 A N 1.460 124.039 122.820 -0.403 0.000 1.869 520 A HA -0.142 4.112 4.320 -0.110 0.000 0.218 520 A C 1.996 179.203 177.584 -0.628 0.000 1.203 520 A CA 1.923 53.442 52.037 -0.863 0.000 0.638 520 A CB -1.302 17.102 19.000 -0.993 0.000 0.831 520 A HN 0.418 nan 8.150 nan 0.000 0.450 521 F N 0.110 119.813 119.950 -0.412 0.000 2.087 521 F HA -0.227 4.234 4.527 -0.110 0.000 0.299 521 F C 2.886 178.472 175.800 -0.357 0.000 1.100 521 F CA 1.060 58.786 58.000 -0.457 0.000 1.226 521 F CB -1.075 37.859 39.000 -0.111 0.000 0.983 521 F HN 0.284 nan 8.300 nan 0.000 0.479 522 A N -0.325 122.564 122.820 0.116 0.000 1.883 522 A HA -0.277 3.977 4.320 -0.110 0.000 0.217 522 A C 2.023 179.650 177.584 0.073 0.000 1.186 522 A CA 2.154 54.284 52.037 0.155 0.000 0.624 522 A CB -1.133 17.946 19.000 0.132 0.000 0.822 522 A HN 0.396 nan 8.150 nan 0.000 0.444 523 D N -0.252 120.132 120.400 -0.027 0.000 2.087 523 D HA -0.082 4.492 4.640 -0.110 0.000 0.192 523 D C 2.125 178.403 176.300 -0.036 0.000 0.993 523 D CA 2.066 56.057 54.000 -0.015 0.000 0.828 523 D CB -0.437 40.351 40.800 -0.020 0.000 0.968 523 D HN 0.332 nan 8.370 nan 0.000 0.448 524 A N 0.278 122.985 122.820 -0.188 0.000 1.881 524 A HA -0.223 4.031 4.320 -0.110 0.000 0.219 524 A C 2.359 179.868 177.584 -0.124 0.000 1.215 524 A CA 2.142 54.018 52.037 -0.268 0.000 0.648 524 A CB -1.793 16.840 19.000 -0.610 0.000 0.832 524 A HN 0.611 nan 8.150 nan 0.000 0.455 525 W N -0.558 120.806 121.300 0.105 0.000 2.538 525 W HA -0.058 4.536 4.660 -0.110 0.000 0.254 525 W C 2.374 178.936 176.519 0.072 0.000 1.249 525 W CA 0.568 57.968 57.345 0.092 0.000 1.253 525 W CB -0.098 29.416 29.460 0.090 0.000 1.130 525 W HN 0.311 nan 8.180 nan 0.000 0.618 526 R N -0.191 120.452 120.500 0.239 0.000 2.148 526 R HA -0.024 4.250 4.340 -0.110 0.000 0.223 526 R C 1.063 177.445 176.300 0.136 0.000 1.088 526 R CA 1.361 57.561 56.100 0.166 0.000 0.985 526 R CB -0.468 29.902 30.300 0.117 0.000 0.880 526 R HN 0.047 nan 8.270 nan 0.000 0.451 527 T N -2.410 112.223 114.554 0.132 0.000 2.906 527 T HA 0.347 4.631 4.350 -0.110 0.000 0.295 527 T C -2.800 171.970 174.700 0.118 0.000 1.061 527 T CA -2.437 59.727 62.100 0.107 0.000 1.000 527 T CB 2.574 71.491 68.868 0.081 0.000 1.103 527 T HN -0.269 nan 8.240 nan 0.000 0.486 528 P HA 0.213 nan 4.420 nan 0.000 0.237 528 P C -0.161 177.190 177.300 0.085 0.000 1.701 528 P CA 0.103 63.260 63.100 0.095 0.000 0.955 528 P CB -0.923 30.822 31.700 0.076 0.000 1.937 529 T N -3.957 110.650 114.554 0.089 0.000 2.864 529 T HA 0.485 4.769 4.350 -0.110 0.000 0.299 529 T C -0.296 174.445 174.700 0.068 0.000 1.166 529 T CA -0.697 61.447 62.100 0.073 0.000 1.007 529 T CB 1.036 69.945 68.868 0.067 0.000 1.219 529 T HN -0.236 nan 8.240 nan 0.000 0.506 530 T N 2.187 116.775 114.554 0.057 0.000 2.856 530 T HA 0.583 4.867 4.350 -0.110 0.000 0.292 530 T C -0.287 174.438 174.700 0.041 0.000 0.980 530 T CA -0.263 61.864 62.100 0.044 0.000 1.091 530 T CB 0.939 69.829 68.868 0.036 0.000 0.936 530 T HN 0.750 nan 8.240 nan 0.000 0.503 531 T N 2.649 117.210 114.554 0.010 0.000 2.824 531 T HA 0.467 4.751 4.350 -0.110 0.000 0.282 531 T C -0.360 174.345 174.700 0.009 0.000 0.993 531 T CA -0.502 61.607 62.100 0.015 0.000 0.967 531 T CB 1.274 70.115 68.868 -0.046 0.000 0.960 531 T HN 0.312 nan 8.240 nan 0.000 0.441 532 V N 5.030 124.985 119.914 0.069 0.000 2.383 532 V HA 0.470 4.524 4.120 -0.110 0.000 0.275 532 V C -0.146 175.928 176.094 -0.033 0.000 1.036 532 V CA -0.564 61.779 62.300 0.072 0.000 0.889 532 V CB 0.962 32.927 31.823 0.236 0.000 0.985 532 V HN 0.768 nan 8.190 nan 0.000 0.459 533 I N 4.549 125.042 120.570 -0.129 0.000 2.405 533 I HA 0.354 4.458 4.170 -0.110 0.000 0.280 533 I C 0.194 176.195 176.117 -0.194 0.000 1.027 533 I CA -0.238 60.912 61.300 -0.250 0.000 1.161 533 I CB 1.367 39.133 38.000 -0.390 0.000 1.300 533 I HN 0.642 nan 8.210 nan 0.000 0.463 534 E N 7.413 127.508 120.200 -0.176 0.000 2.194 534 E HA 0.286 4.570 4.350 -0.110 0.000 0.284 534 E C -0.780 175.779 176.600 -0.069 0.000 1.035 534 E CA -0.509 55.867 56.400 -0.040 0.000 0.836 534 E CB 1.130 30.953 29.700 0.205 0.000 1.070 534 E HN 0.498 nan 8.360 nan 0.000 0.401 535 M N 6.060 125.619 119.600 -0.069 0.000 2.047 535 M HA 0.231 4.645 4.480 -0.110 0.000 0.342 535 M C -1.437 174.842 176.300 -0.034 0.000 1.058 535 M CA -0.803 54.442 55.300 -0.092 0.000 0.991 535 M CB 1.060 33.539 32.600 -0.201 0.000 1.474 535 M HN 0.298 nan 8.290 nan 0.000 0.419 536 V N 6.214 126.143 119.914 0.025 0.000 2.461 536 V HA 0.488 4.542 4.120 -0.110 0.000 0.275 536 V C 0.035 176.145 176.094 0.025 0.000 1.047 536 V CA -0.524 61.821 62.300 0.074 0.000 0.955 536 V CB 0.926 32.830 31.823 0.136 0.000 0.988 536 V HN 0.700 nan 8.190 nan 0.000 0.471 537 V N 2.010 121.934 119.914 0.016 0.000 3.130 537 V HA 0.685 4.739 4.120 -0.110 0.000 0.310 537 V C -0.510 175.596 176.094 0.020 0.000 1.158 537 V CA -1.257 61.036 62.300 -0.012 0.000 1.029 537 V CB 2.440 34.216 31.823 -0.079 0.000 1.057 537 V HN 0.648 nan 8.190 nan 0.000 0.436 538 N N 2.499 121.210 118.700 0.018 0.000 2.475 538 N HA 0.121 4.795 4.740 -0.110 0.000 0.267 538 N C 0.615 176.138 175.510 0.022 0.000 1.169 538 N CA 0.567 53.632 53.050 0.027 0.000 0.947 538 N CB 1.234 39.737 38.487 0.027 0.000 1.061 538 N HN 0.997 nan 8.380 nan 0.000 0.466 539 D N 0.783 121.200 120.400 0.028 0.000 2.149 539 D HA -0.228 4.346 4.640 -0.110 0.000 0.194 539 D C 1.180 177.494 176.300 0.023 0.000 1.001 539 D CA 2.061 56.079 54.000 0.029 0.000 0.849 539 D CB -0.551 40.271 40.800 0.037 0.000 0.939 539 D HN 0.591 nan 8.370 nan 0.000 0.449 540 T N -4.155 110.412 114.554 0.022 0.000 3.086 540 T HA 0.097 4.381 4.350 -0.110 0.000 0.250 540 T C 1.107 175.815 174.700 0.013 0.000 1.074 540 T CA 0.040 62.151 62.100 0.019 0.000 0.988 540 T CB 0.150 69.030 68.868 0.021 0.000 0.988 540 T HN -0.147 nan 8.240 nan 0.000 0.530 541 D N 2.380 122.788 120.400 0.014 0.000 2.116 541 D HA -0.045 4.529 4.640 -0.110 0.000 0.193 541 D C 2.322 178.628 176.300 0.010 0.000 0.998 541 D CA 1.714 55.722 54.000 0.014 0.000 0.836 541 D CB -0.793 40.016 40.800 0.015 0.000 0.951 541 D HN 0.552 nan 8.370 nan 0.000 0.449 542 G N 0.458 109.260 108.800 0.003 0.000 2.404 542 G HA2 -0.150 3.744 3.960 -0.110 0.000 0.215 542 G HA3 -0.150 3.744 3.960 -0.110 0.000 0.215 542 G C 1.714 176.611 174.900 -0.004 0.000 1.174 542 G CA 1.264 46.364 45.100 -0.001 0.000 0.780 542 G HN 0.399 nan 8.290 nan 0.000 0.537 543 A N 0.150 122.966 122.820 -0.008 0.000 1.940 543 A HA -0.094 4.160 4.320 -0.110 0.000 0.219 543 A C 2.318 179.898 177.584 -0.006 0.000 1.176 543 A CA 2.034 54.063 52.037 -0.012 0.000 0.631 543 A CB -0.367 18.626 19.000 -0.012 0.000 0.814 543 A HN 0.471 nan 8.150 nan 0.000 0.446 544 Q N -1.293 118.507 119.800 0.002 0.000 2.096 544 Q HA -0.083 4.191 4.340 -0.110 0.000 0.197 544 Q C 2.187 178.190 176.000 0.004 0.000 0.964 544 Q CA 1.666 57.472 55.803 0.005 0.000 0.838 544 Q CB -0.241 28.503 28.738 0.010 0.000 0.906 544 Q HN 0.661 nan 8.270 nan 0.000 0.444 545 T N 1.667 116.225 114.554 0.006 0.000 2.699 545 T HA -0.196 4.088 4.350 -0.110 0.000 0.268 545 T C 1.710 176.409 174.700 -0.002 0.000 1.036 545 T CA 1.214 63.318 62.100 0.006 0.000 1.147 545 T CB -0.271 68.604 68.868 0.011 0.000 0.862 545 T HN 0.128 nan 8.240 nan 0.000 0.446 546 L N 0.809 122.029 121.223 -0.006 0.000 2.027 546 L HA -0.054 4.220 4.340 -0.110 0.000 0.206 546 L C 2.538 179.399 176.870 -0.016 0.000 1.074 546 L CA 1.757 56.590 54.840 -0.013 0.000 0.745 546 L CB -0.660 41.388 42.059 -0.018 0.000 0.898 546 L HN 0.207 nan 8.230 nan 0.000 0.433 547 Q N -0.967 118.825 119.800 -0.013 0.000 2.061 547 Q HA -0.281 3.993 4.340 -0.110 0.000 0.204 547 Q C 2.258 178.252 176.000 -0.010 0.000 0.984 547 Q CA 2.345 58.141 55.803 -0.013 0.000 0.846 547 Q CB -0.181 28.553 28.738 -0.007 0.000 0.902 547 Q HN 0.630 nan 8.270 nan 0.000 0.421 548 Q N 0.115 119.914 119.800 -0.002 0.000 2.020 548 Q HA -0.156 4.118 4.340 -0.110 0.000 0.202 548 Q C 2.159 178.159 176.000 0.000 0.000 0.982 548 Q CA 1.221 57.028 55.803 0.006 0.000 0.838 548 Q CB -0.157 28.589 28.738 0.012 0.000 0.899 548 Q HN 0.359 nan 8.270 nan 0.000 0.423 549 L N 0.393 121.613 121.223 -0.006 0.000 2.079 549 L HA -0.212 4.062 4.340 -0.110 0.000 0.210 549 L C 2.373 179.231 176.870 -0.020 0.000 1.081 549 L CA 0.603 55.437 54.840 -0.010 0.000 0.752 549 L CB -0.410 41.641 42.059 -0.013 0.000 0.896 549 L HN 0.363 nan 8.230 nan 0.000 0.433 550 L N -0.087 121.118 121.223 -0.031 0.000 1.970 550 L HA -0.257 4.017 4.340 -0.110 0.000 0.212 550 L C 2.753 179.573 176.870 -0.082 0.000 1.071 550 L CA 2.356 57.166 54.840 -0.049 0.000 0.751 550 L CB -0.949 41.082 42.059 -0.046 0.000 0.889 550 L HN 0.290 nan 8.230 nan 0.000 0.432 551 A N -0.974 121.796 122.820 -0.084 0.000 1.902 551 A HA -0.288 3.966 4.320 -0.110 0.000 0.217 551 A C 2.206 179.664 177.584 -0.210 0.000 1.181 551 A CA 1.832 53.775 52.037 -0.158 0.000 0.623 551 A CB -0.657 18.313 19.000 -0.051 0.000 0.818 551 A HN 0.626 nan 8.150 nan 0.000 0.443 552 Q N -0.366 119.411 119.800 -0.039 0.000 2.030 552 Q HA -0.155 4.119 4.340 -0.110 0.000 0.204 552 Q C 2.069 178.077 176.000 0.012 0.000 0.986 552 Q CA 2.172 58.001 55.803 0.043 0.000 0.843 552 Q CB -0.218 28.546 28.738 0.044 0.000 0.904 552 Q HN 0.436 nan 8.270 nan 0.000 0.420 553 V N 0.974 120.878 119.914 -0.016 0.000 2.515 553 V HA -0.222 3.832 4.120 -0.110 0.000 0.250 553 V C 2.385 178.471 176.094 -0.014 0.000 1.058 553 V CA 1.812 64.117 62.300 0.009 0.000 1.064 553 V CB -0.628 31.213 31.823 0.030 0.000 0.675 553 V HN 0.522 nan 8.190 nan 0.000 0.461 554 S N -0.809 114.824 115.700 -0.111 0.000 2.500 554 S HA -0.214 4.190 4.470 -0.110 0.000 0.239 554 S C 1.581 176.100 174.600 -0.135 0.000 0.989 554 S CA 1.490 59.602 58.200 -0.148 0.000 0.951 554 S CB -0.671 62.384 63.200 -0.243 0.000 0.759 554 S HN 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