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 1ntz_1_C DATA FIRST_RESID 2 DATA SEQUENCE TNIRKSHPLM KIVNNAFIDL PAPSNISSWW NFGSLLGICL ILQILTGLFL DATA SEQUENCE AMHYTSDTTT AFSSVTHICR DVNYGWIIRY MHANGASMFF ICLYMHVGRG DATA SEQUENCE LYYGSYTFLE TWNIGVILLL TVMATAFMGY VLPWGQMSFW GATVITNLLS DATA SEQUENCE AIPYIGTNLV EWIWGGFSVD KATLTRFFAF HFILPFIIMA IAMVHLLFLH DATA SEQUENCE ETGSNNPTGI SSDVDKIPFH PYYTIKDILG ALLLILALML LVLFAPDLLG DATA SEQUENCE DPDNYTPANP LNTPPHIKPE WYFLFAYAIL RSIPNKLGGV LALAFSILIL DATA SEQUENCE ALIPLLHTSK QRSMMFRPLS QCLFWALVAD LLTLTWIGGQ PVEHPYITIG DATA SEQUENCE QLASVLYFLL ILVLMPTAGT IENKLLKW 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.706 174.700 0.010 0.000 1.109 2 T CA 0.000 62.105 62.100 0.009 0.000 1.349 2 T CB 0.000 68.875 68.868 0.011 0.000 0.612 3 N N -0.568 118.140 118.700 0.012 0.000 2.562 3 N HA 0.535 5.275 4.740 -0.000 0.000 0.299 3 N C 0.699 176.217 175.510 0.014 0.000 1.344 3 N CA -0.751 52.307 53.050 0.012 0.000 0.914 3 N CB 0.393 38.889 38.487 0.015 0.000 1.101 3 N HN 0.682 nan 8.380 nan 0.000 0.527 4 I N -0.445 120.132 120.570 0.013 0.000 4.398 4 I HA 0.192 4.362 4.170 -0.000 0.000 0.310 4 I C 2.050 178.188 176.117 0.034 0.000 1.232 4 I CA 0.183 61.490 61.300 0.012 0.000 1.312 4 I CB -0.789 37.198 38.000 -0.022 0.000 1.347 4 I HN 0.331 nan 8.210 nan 0.000 0.454 5 R N 2.011 122.526 120.500 0.025 0.000 2.073 5 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 5 R C 2.180 178.506 176.300 0.045 0.000 1.134 5 R CA 1.562 57.684 56.100 0.036 0.000 0.952 5 R CB 0.000 30.315 30.300 0.025 0.000 0.850 5 R HN 0.358 nan 8.270 nan 0.000 0.433 6 K N -0.242 120.178 120.400 0.033 0.000 2.155 6 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 6 K C 2.168 178.784 176.600 0.027 0.000 1.052 6 K CA 1.631 57.933 56.287 0.024 0.000 0.948 6 K CB 0.063 32.573 32.500 0.016 0.000 0.728 6 K HN 0.198 nan 8.250 nan 0.000 0.448 7 S N -0.318 115.409 115.700 0.044 0.000 2.468 7 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 7 S C 0.793 175.432 174.600 0.065 0.000 1.051 7 S CA -0.153 58.073 58.200 0.044 0.000 0.943 7 S CB -0.413 62.811 63.200 0.040 0.000 0.810 7 S HN 0.301 nan 8.310 nan 0.000 0.509 8 H N 4.542 123.608 119.070 -0.006 0.000 3.004 8 H HA 0.246 4.802 4.556 -0.000 0.000 0.316 8 H C -1.886 173.437 175.328 -0.007 0.000 1.014 8 H CA -1.120 54.925 56.048 -0.005 0.000 1.454 8 H CB 0.714 30.474 29.762 -0.003 0.000 1.472 8 H HN 0.030 nan 8.280 nan 0.000 0.571 9 P HA -0.241 nan 4.420 nan 0.000 0.216 9 P C 1.624 178.783 177.300 -0.235 0.000 1.154 9 P CA 1.315 64.243 63.100 -0.287 0.000 0.865 9 P CB 0.237 31.751 31.700 -0.310 0.000 0.789 10 L N -2.091 118.923 121.223 -0.348 0.000 2.068 10 L HA -0.078 4.262 4.340 -0.000 0.000 0.204 10 L C 2.435 179.353 176.870 0.080 0.000 1.076 10 L CA 1.463 56.269 54.840 -0.056 0.000 0.753 10 L CB -0.492 41.600 42.059 0.056 0.000 0.910 10 L HN -0.023 nan 8.230 nan 0.000 0.439 11 M N -0.893 118.842 119.600 0.225 0.000 2.229 11 M HA -0.229 4.251 4.480 -0.000 0.000 0.264 11 M C 2.119 178.463 176.300 0.074 0.000 1.063 11 M CA 1.420 56.816 55.300 0.160 0.000 1.114 11 M CB -0.370 32.331 32.600 0.168 0.000 1.387 11 M HN 0.114 nan 8.290 nan 0.000 0.420 12 K N 0.853 121.278 120.400 0.042 0.000 2.032 12 K HA -0.209 4.111 4.320 -0.000 0.000 0.218 12 K C 1.847 178.429 176.600 -0.031 0.000 1.054 12 K CA 1.562 57.847 56.287 -0.003 0.000 0.941 12 K CB -0.287 32.197 32.500 -0.027 0.000 0.720 12 K HN 0.239 nan 8.250 nan 0.000 0.449 13 I N 1.015 121.566 120.570 -0.032 0.000 2.151 13 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 13 I C 2.417 178.480 176.117 -0.090 0.000 1.080 13 I CA 1.459 62.724 61.300 -0.058 0.000 1.339 13 I CB -1.476 36.505 38.000 -0.031 0.000 1.039 13 I HN 0.002 nan 8.210 nan 0.000 0.409 14 V N 1.292 121.205 119.914 -0.002 0.000 2.295 14 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 14 V C 2.353 178.437 176.094 -0.016 0.000 1.049 14 V CA 2.324 64.665 62.300 0.068 0.000 1.024 14 V CB -1.296 30.631 31.823 0.173 0.000 0.648 14 V HN 0.388 nan 8.190 nan 0.000 0.447 15 N N 1.235 119.930 118.700 -0.009 0.000 2.069 15 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 15 N C 1.513 176.967 175.510 -0.093 0.000 1.031 15 N CA 1.757 54.798 53.050 -0.015 0.000 0.852 15 N CB -0.324 38.163 38.487 0.001 0.000 1.018 15 N HN 0.458 nan 8.380 nan 0.000 0.423 16 N N -0.517 118.093 118.700 -0.149 0.000 2.550 16 N HA 0.024 4.764 4.740 -0.000 0.000 0.186 16 N C 0.588 175.848 175.510 -0.417 0.000 1.110 16 N CA 0.837 53.754 53.050 -0.223 0.000 0.912 16 N CB 0.108 38.490 38.487 -0.174 0.000 0.968 16 N HN 0.402 nan 8.380 nan 0.000 0.448 17 A N -1.184 121.318 122.820 -0.530 0.000 2.138 17 A HA 0.319 4.639 4.320 -0.000 0.000 0.203 17 A C 0.677 177.628 177.584 -1.056 0.000 1.286 17 A CA 0.054 51.572 52.037 -0.865 0.000 0.929 17 A CB 0.320 18.696 19.000 -1.040 0.000 0.975 17 A HN 0.142 nan 8.150 nan 0.000 0.480 18 F N -1.322 118.497 119.950 -0.218 0.000 2.925 18 F HA 0.369 4.896 4.527 -0.000 0.000 0.355 18 F C 1.266 177.137 175.800 0.118 0.000 1.073 18 F CA -0.475 57.378 58.000 -0.245 0.000 1.127 18 F CB 0.487 39.443 39.000 -0.074 0.000 1.123 18 F HN 0.025 nan 8.300 nan 0.000 0.551 19 I N -0.446 120.246 120.570 0.203 0.000 3.393 19 I HA 0.147 4.317 4.170 -0.000 0.000 0.250 19 I C 0.823 177.079 176.117 0.233 0.000 1.122 19 I CA 0.659 62.114 61.300 0.259 0.000 1.484 19 I CB -0.610 37.474 38.000 0.140 0.000 1.468 19 I HN -0.125 nan 8.210 nan 0.000 0.461 20 D N 1.258 121.726 120.400 0.113 0.000 2.369 20 D HA 0.160 4.800 4.640 -0.000 0.000 0.211 20 D C 0.632 176.968 176.300 0.060 0.000 1.077 20 D CA -0.125 53.929 54.000 0.090 0.000 0.842 20 D CB 0.304 41.131 40.800 0.045 0.000 0.947 20 D HN 0.011 nan 8.370 nan 0.000 0.509 21 L N 2.262 123.504 121.223 0.031 0.000 2.584 21 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 21 L C -2.441 174.484 176.870 0.092 0.000 1.195 21 L CA -0.851 53.966 54.840 -0.038 0.000 0.920 21 L CB 0.239 42.189 42.059 -0.182 0.000 1.173 21 L HN -0.238 nan 8.230 nan 0.000 0.489 22 P HA 0.275 nan 4.420 nan 0.000 0.270 22 P C -1.175 176.194 177.300 0.115 0.000 1.242 22 P CA -0.014 63.138 63.100 0.086 0.000 0.768 22 P CB 0.931 32.654 31.700 0.039 0.000 0.820 23 A N 5.800 128.737 122.820 0.195 0.000 2.356 23 A HA 0.782 5.102 4.320 -0.000 0.000 0.323 23 A C -2.719 174.954 177.584 0.150 0.000 1.119 23 A CA -2.281 49.881 52.037 0.209 0.000 0.790 23 A CB 0.684 19.928 19.000 0.407 0.000 1.273 23 A HN 0.263 nan 8.150 nan 0.000 0.452 24 P HA 0.126 nan 4.420 nan 0.000 0.275 24 P C 0.797 178.119 177.300 0.037 0.000 1.227 24 P CA 0.056 63.151 63.100 -0.009 0.000 0.781 24 P CB 1.041 32.669 31.700 -0.121 0.000 0.906 25 S N 1.226 116.922 115.700 -0.006 0.000 2.561 25 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 25 S C 0.997 175.570 174.600 -0.046 0.000 0.977 25 S CA 0.551 58.728 58.200 -0.038 0.000 0.926 25 S CB -0.873 62.262 63.200 -0.109 0.000 0.769 25 S HN 0.567 nan 8.310 nan 0.000 0.533 26 N N 1.662 120.310 118.700 -0.088 0.000 2.200 26 N HA 0.127 4.867 4.740 -0.000 0.000 0.224 26 N C 0.264 175.622 175.510 -0.254 0.000 1.179 26 N CA -0.513 52.459 53.050 -0.130 0.000 0.877 26 N CB -0.440 37.975 38.487 -0.120 0.000 1.072 26 N HN 0.682 nan 8.380 nan 0.000 0.519 27 I N 0.393 120.742 120.570 -0.368 0.000 2.692 27 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 27 I C 0.430 176.394 176.117 -0.256 0.000 1.159 27 I CA -0.621 60.239 61.300 -0.732 0.000 1.423 27 I CB 0.755 38.078 38.000 -1.129 0.000 1.380 27 I HN 0.064 nan 8.210 nan 0.000 0.580 28 S N 3.322 118.963 115.700 -0.099 0.000 2.766 28 S HA 0.495 4.965 4.470 -0.000 0.000 0.307 28 S C -0.012 174.761 174.600 0.289 0.000 1.121 28 S CA -0.898 57.387 58.200 0.141 0.000 0.980 28 S CB 1.274 64.596 63.200 0.203 0.000 1.159 28 S HN 0.740 nan 8.310 nan 0.000 0.546 29 S N 0.374 116.141 115.700 0.112 0.000 2.546 29 S HA 0.184 4.654 4.470 -0.000 0.000 0.290 29 S C -0.334 174.327 174.600 0.102 0.000 1.290 29 S CA 0.134 58.322 58.200 -0.020 0.000 1.069 29 S CB -0.882 62.179 63.200 -0.233 0.000 0.846 29 S HN 0.954 nan 8.310 nan 0.000 0.495 30 W N -1.444 120.071 121.300 0.359 0.000 0.317 30 W HA -0.132 4.528 4.660 -0.000 0.000 0.214 30 W C 0.806 177.471 176.519 0.244 0.000 0.917 30 W CA -0.417 57.201 57.345 0.454 0.000 0.320 30 W CB -1.026 28.607 29.460 0.289 0.000 1.872 30 W HN 0.677 nan 8.180 nan 0.000 0.472 31 W N 1.782 123.274 121.300 0.320 0.000 3.197 31 W HA 0.171 4.831 4.660 -0.000 0.000 0.274 31 W C 1.419 178.035 176.519 0.162 0.000 1.297 31 W CA 0.447 57.916 57.345 0.208 0.000 1.662 31 W CB -0.299 29.192 29.460 0.050 0.000 1.106 31 W HN -0.034 nan 8.180 nan 0.000 0.663 32 N N 0.385 119.191 118.700 0.176 0.000 2.409 32 N HA -0.101 4.639 4.740 -0.000 0.000 0.179 32 N C 1.213 176.661 175.510 -0.104 0.000 1.032 32 N CA 0.873 53.895 53.050 -0.047 0.000 0.898 32 N CB -0.467 37.858 38.487 -0.271 0.000 0.971 32 N HN 0.080 nan 8.380 nan 0.000 0.441 33 F N 1.181 121.254 119.950 0.206 0.000 2.408 33 F HA -0.005 4.522 4.527 -0.000 0.000 0.300 33 F C 2.477 178.291 175.800 0.023 0.000 1.090 33 F CA 0.549 58.643 58.000 0.157 0.000 1.427 33 F CB -0.671 38.479 39.000 0.249 0.000 1.070 33 F HN 0.029 nan 8.300 nan 0.000 0.549 34 G N -0.233 108.726 108.800 0.265 0.000 2.394 34 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.215 34 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.215 34 G C 1.796 176.738 174.900 0.069 0.000 1.165 34 G CA 0.955 46.139 45.100 0.141 0.000 0.784 34 G HN 0.436 nan 8.290 nan 0.000 0.535 35 S N 0.657 116.420 115.700 0.106 0.000 2.387 35 S HA 0.071 4.541 4.470 -0.000 0.000 0.226 35 S C 2.336 176.922 174.600 -0.023 0.000 1.026 35 S CA 0.747 58.987 58.200 0.067 0.000 0.972 35 S CB -0.388 62.882 63.200 0.116 0.000 0.814 35 S HN 0.260 nan 8.310 nan 0.000 0.477 36 L N 0.747 121.946 121.223 -0.041 0.000 2.083 36 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 36 L C 2.583 179.365 176.870 -0.146 0.000 1.083 36 L CA 1.068 55.862 54.840 -0.077 0.000 0.752 36 L CB -0.686 41.338 42.059 -0.059 0.000 0.899 36 L HN 0.300 nan 8.230 nan 0.000 0.433 37 L N -0.504 120.618 121.223 -0.168 0.000 2.093 37 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 37 L C 2.708 179.354 176.870 -0.372 0.000 1.085 37 L CA 1.278 55.907 54.840 -0.351 0.000 0.755 37 L CB -1.102 40.781 42.059 -0.293 0.000 0.904 37 L HN 0.296 nan 8.230 nan 0.000 0.435 38 G N 0.619 109.306 108.800 -0.188 0.000 2.491 38 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 38 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 38 G C 1.514 176.314 174.900 -0.167 0.000 1.180 38 G CA 0.823 45.844 45.100 -0.131 0.000 0.774 38 G HN 0.207 nan 8.290 nan 0.000 0.562 39 I N 0.701 121.177 120.570 -0.157 0.000 2.163 39 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 39 I C 2.926 178.917 176.117 -0.211 0.000 1.085 39 I CA 0.955 62.168 61.300 -0.146 0.000 1.347 39 I CB -1.145 36.790 38.000 -0.109 0.000 1.044 39 I HN 0.197 nan 8.210 nan 0.000 0.408 40 C N 0.521 119.616 119.300 -0.342 0.000 2.422 40 C HA -0.141 4.319 4.460 -0.000 0.000 0.279 40 C C 2.813 177.475 174.990 -0.548 0.000 1.305 40 C CA 0.325 59.052 59.018 -0.485 0.000 1.757 40 C CB -1.086 26.184 27.740 -0.783 0.000 1.962 40 C HN 0.493 nan 8.230 nan 0.000 0.499 41 L N 1.438 122.318 121.223 -0.571 0.000 2.056 41 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 41 L C 2.163 178.960 176.870 -0.123 0.000 1.078 41 L CA 1.714 56.377 54.840 -0.295 0.000 0.749 41 L CB -0.840 41.112 42.059 -0.178 0.000 0.901 41 L HN 0.476 nan 8.230 nan 0.000 0.433 42 I N -1.747 118.755 120.570 -0.112 0.000 2.353 42 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 42 I C 2.328 178.429 176.117 -0.026 0.000 1.119 42 I CA 1.381 62.656 61.300 -0.041 0.000 1.417 42 I CB -0.046 37.938 38.000 -0.027 0.000 1.078 42 I HN 0.352 nan 8.210 nan 0.000 0.421 43 L N 0.906 122.095 121.223 -0.057 0.000 2.042 43 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 43 L C 2.644 179.534 176.870 0.033 0.000 1.076 43 L CA 1.547 56.371 54.840 -0.026 0.000 0.749 43 L CB -0.505 41.524 42.059 -0.050 0.000 0.893 43 L HN 0.309 nan 8.230 nan 0.000 0.432 44 Q N -0.210 119.603 119.800 0.021 0.000 2.170 44 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 44 Q C 2.263 178.346 176.000 0.138 0.000 0.976 44 Q CA 1.798 57.660 55.803 0.098 0.000 0.858 44 Q CB -0.223 28.558 28.738 0.071 0.000 0.907 44 Q HN 0.636 nan 8.270 nan 0.000 0.433 45 I N -0.202 120.393 120.570 0.042 0.000 2.233 45 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 45 I C 2.260 178.421 176.117 0.073 0.000 1.093 45 I CA 0.497 61.803 61.300 0.010 0.000 1.380 45 I CB -0.133 37.883 38.000 0.027 0.000 1.067 45 I HN 0.133 nan 8.210 nan 0.000 0.413 46 L N 0.424 121.705 121.223 0.096 0.000 1.988 46 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 46 L C 2.865 179.832 176.870 0.161 0.000 1.071 46 L CA 2.270 57.194 54.840 0.140 0.000 0.744 46 L CB -0.463 41.633 42.059 0.062 0.000 0.893 46 L HN 0.393 nan 8.230 nan 0.000 0.433 47 T N -3.763 110.839 114.554 0.080 0.000 2.867 47 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 47 T C 1.870 176.547 174.700 -0.038 0.000 1.057 47 T CA 0.866 62.995 62.100 0.048 0.000 1.136 47 T CB -1.106 67.826 68.868 0.106 0.000 0.874 47 T HN 0.423 nan 8.240 nan 0.000 0.466 48 G N 1.353 110.108 108.800 -0.075 0.000 2.422 48 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 48 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 48 G C 1.432 176.225 174.900 -0.178 0.000 1.146 48 G CA 0.912 45.824 45.100 -0.314 0.000 0.769 48 G HN 0.469 nan 8.290 nan 0.000 0.547 49 L N -0.530 120.681 121.223 -0.020 0.000 2.027 49 L HA 0.221 4.561 4.340 -0.000 0.000 0.206 49 L C 2.503 179.415 176.870 0.070 0.000 1.074 49 L CA 1.382 56.233 54.840 0.019 0.000 0.745 49 L CB -0.547 41.574 42.059 0.104 0.000 0.898 49 L HN 0.179 nan 8.230 nan 0.000 0.433 50 F N -0.687 119.261 119.950 -0.003 0.000 2.216 50 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 50 F C 2.249 178.114 175.800 0.109 0.000 1.085 50 F CA 1.246 59.275 58.000 0.048 0.000 1.326 50 F CB -0.632 38.392 39.000 0.039 0.000 1.027 50 F HN 0.021 nan 8.300 nan 0.000 0.497 51 L N -0.796 120.542 121.223 0.191 0.000 2.093 51 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 51 L C 2.604 179.602 176.870 0.212 0.000 1.085 51 L CA 1.060 55.991 54.840 0.151 0.000 0.755 51 L CB -0.937 41.086 42.059 -0.060 0.000 0.904 51 L HN 0.109 nan 8.230 nan 0.000 0.435 52 A N -0.441 122.484 122.820 0.175 0.000 2.121 52 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 52 A C 2.154 179.872 177.584 0.223 0.000 1.154 52 A CA 1.117 53.351 52.037 0.328 0.000 0.679 52 A CB -0.456 18.772 19.000 0.380 0.000 0.795 52 A HN 0.403 nan 8.150 nan 0.000 0.458 53 M N -1.154 118.470 119.600 0.039 0.000 2.619 53 M HA 0.022 4.502 4.480 -0.000 0.000 0.251 53 M C 0.961 176.993 176.300 -0.448 0.000 1.106 53 M CA 0.816 55.978 55.300 -0.230 0.000 1.086 53 M CB -0.113 32.236 32.600 -0.417 0.000 1.465 53 M HN 0.515 nan 8.290 nan 0.000 0.506 54 H N -3.134 116.017 119.070 0.136 0.000 3.734 54 H HA 0.139 4.695 4.556 -0.000 0.000 0.253 54 H C -0.152 175.244 175.328 0.113 0.000 1.072 54 H CA -0.296 55.837 56.048 0.140 0.000 1.147 54 H CB 0.251 30.135 29.762 0.204 0.000 1.495 54 H HN 0.257 nan 8.280 nan 0.000 0.588 55 Y N 3.635 124.006 120.300 0.118 0.000 2.497 55 Y HA 0.159 4.709 4.550 -0.000 0.000 0.334 55 Y C -0.144 175.673 175.900 -0.139 0.000 1.199 55 Y CA 0.372 58.458 58.100 -0.023 0.000 1.425 55 Y CB 0.747 39.159 38.460 -0.079 0.000 1.291 55 Y HN -0.144 nan 8.280 nan 0.000 0.562 56 T N 4.189 118.063 114.554 -1.135 0.000 2.807 56 T HA 0.136 4.486 4.350 -0.000 0.000 0.279 56 T C 0.435 174.275 174.700 -1.434 0.000 0.993 56 T CA -0.497 61.035 62.100 -0.947 0.000 0.970 56 T CB 1.506 70.059 68.868 -0.525 0.000 0.950 56 T HN 0.659 nan 8.240 nan 0.000 0.441 57 S N 1.419 116.569 115.700 -0.916 0.000 2.671 57 S HA 0.049 4.519 4.470 -0.000 0.000 0.220 57 S C 0.086 174.433 174.600 -0.422 0.000 0.951 57 S CA -0.274 57.552 58.200 -0.623 0.000 0.932 57 S CB -0.310 62.671 63.200 -0.366 0.000 0.777 57 S HN 0.617 nan 8.310 nan 0.000 0.508 58 D N 1.247 121.390 120.400 -0.428 0.000 2.193 58 D HA 0.266 4.906 4.640 -0.000 0.000 0.244 58 D C 1.560 177.636 176.300 -0.373 0.000 1.064 58 D CA 0.039 53.832 54.000 -0.346 0.000 0.845 58 D CB 2.032 42.677 40.800 -0.259 0.000 1.148 58 D HN 0.268 nan 8.370 nan 0.000 0.464 59 T N 0.086 114.370 114.554 -0.451 0.000 2.760 59 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 59 T C 1.713 176.282 174.700 -0.218 0.000 1.047 59 T CA 1.718 63.514 62.100 -0.506 0.000 1.139 59 T CB -0.375 68.175 68.868 -0.529 0.000 0.855 59 T HN 0.333 nan 8.240 nan 0.000 0.471 60 T N 0.902 115.348 114.554 -0.179 0.000 2.788 60 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 60 T C 1.902 176.550 174.700 -0.087 0.000 1.044 60 T CA 1.865 63.899 62.100 -0.110 0.000 1.139 60 T CB -0.475 68.325 68.868 -0.113 0.000 0.867 60 T HN 0.700 nan 8.240 nan 0.000 0.454 61 T N -0.698 113.779 114.554 -0.128 0.000 3.058 61 T HA 0.545 4.895 4.350 -0.000 0.000 0.278 61 T C 1.815 176.443 174.700 -0.120 0.000 0.974 61 T CA 0.704 62.739 62.100 -0.107 0.000 0.893 61 T CB -0.205 68.575 68.868 -0.148 0.000 1.138 61 T HN 0.182 nan 8.240 nan 0.000 0.529 62 A N 1.201 123.931 122.820 -0.149 0.000 1.849 62 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 62 A C 1.790 179.428 177.584 0.090 0.000 1.202 62 A CA 1.834 53.790 52.037 -0.136 0.000 0.629 62 A CB -1.344 17.598 19.000 -0.097 0.000 0.834 62 A HN 0.606 nan 8.150 nan 0.000 0.447 63 F N 0.372 120.352 119.950 0.050 0.000 2.095 63 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 63 F C 2.883 178.716 175.800 0.054 0.000 1.104 63 F CA 1.891 59.935 58.000 0.074 0.000 1.232 63 F CB -0.188 38.859 39.000 0.078 0.000 0.987 63 F HN 0.244 nan 8.300 nan 0.000 0.475 64 S N -0.545 115.343 115.700 0.314 0.000 2.370 64 S HA -0.224 4.246 4.470 -0.000 0.000 0.226 64 S C 2.328 177.013 174.600 0.141 0.000 1.033 64 S CA 1.651 59.977 58.200 0.210 0.000 1.011 64 S CB -0.682 62.582 63.200 0.107 0.000 0.852 64 S HN 0.622 nan 8.310 nan 0.000 0.457 65 S N 0.640 116.381 115.700 0.067 0.000 2.383 65 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 65 S C 1.837 176.528 174.600 0.152 0.000 1.026 65 S CA 1.309 59.555 58.200 0.077 0.000 0.981 65 S CB -0.820 62.334 63.200 -0.077 0.000 0.818 65 S HN 0.332 nan 8.310 nan 0.000 0.472 66 V N 2.399 122.373 119.914 0.100 0.000 2.407 66 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 66 V C 2.867 178.957 176.094 -0.006 0.000 1.055 66 V CA 2.253 64.569 62.300 0.026 0.000 1.049 66 V CB -1.528 30.220 31.823 -0.125 0.000 0.662 66 V HN 0.638 nan 8.190 nan 0.000 0.455 67 T N -1.083 113.489 114.554 0.030 0.000 2.777 67 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 67 T C 1.857 176.618 174.700 0.101 0.000 1.040 67 T CA 1.531 63.684 62.100 0.088 0.000 1.141 67 T CB -0.480 68.503 68.868 0.192 0.000 0.868 67 T HN 0.645 nan 8.240 nan 0.000 0.444 68 H N 1.199 120.292 119.070 0.040 0.000 2.390 68 H HA -0.073 4.483 4.556 -0.000 0.000 0.298 68 H C 2.160 177.482 175.328 -0.010 0.000 1.106 68 H CA 1.448 57.510 56.048 0.022 0.000 1.297 68 H CB -0.363 29.412 29.762 0.022 0.000 1.375 68 H HN 0.341 nan 8.280 nan 0.000 0.509 69 I N 0.253 120.748 120.570 -0.125 0.000 2.179 69 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 69 I C 2.791 178.821 176.117 -0.145 0.000 1.088 69 I CA 1.232 62.406 61.300 -0.209 0.000 1.357 69 I CB -0.218 37.739 38.000 -0.072 0.000 1.051 69 I HN 0.343 nan 8.210 nan 0.000 0.409 70 C N 0.338 119.611 119.300 -0.046 0.000 2.448 70 C HA 0.012 4.472 4.460 -0.000 0.000 0.280 70 C C 2.625 177.663 174.990 0.081 0.000 1.398 70 C CA 0.358 59.409 59.018 0.055 0.000 1.774 70 C CB -1.215 26.570 27.740 0.074 0.000 1.888 70 C HN 0.433 nan 8.230 nan 0.000 0.519 71 R N 0.463 120.965 120.500 0.005 0.000 2.140 71 R HA 0.086 4.426 4.340 -0.000 0.000 0.200 71 R C 1.051 177.326 176.300 -0.042 0.000 1.069 71 R CA 0.786 56.887 56.100 0.000 0.000 1.088 71 R CB -0.429 29.880 30.300 0.015 0.000 1.012 71 R HN 0.414 nan 8.270 nan 0.000 0.500 72 D N 1.025 121.345 120.400 -0.133 0.000 2.269 72 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 72 D C 0.625 176.792 176.300 -0.222 0.000 0.962 72 D CA 0.459 54.355 54.000 -0.174 0.000 0.884 72 D CB 0.065 40.751 40.800 -0.190 0.000 1.023 72 D HN -0.165 nan 8.370 nan 0.000 0.484 73 V N 2.725 122.414 119.914 -0.374 0.000 2.540 73 V HA -0.041 4.079 4.120 -0.000 0.000 0.297 73 V C 0.195 176.183 176.094 -0.177 0.000 1.024 73 V CA -0.174 61.926 62.300 -0.334 0.000 1.105 73 V CB -0.315 31.168 31.823 -0.566 0.000 0.938 73 V HN 0.102 nan 8.190 nan 0.000 0.482 74 N N 5.289 123.930 118.700 -0.099 0.000 2.411 74 N HA 0.093 4.833 4.740 -0.000 0.000 0.265 74 N C -0.094 175.396 175.510 -0.034 0.000 1.266 74 N CA -0.026 52.969 53.050 -0.091 0.000 0.889 74 N CB -0.255 38.265 38.487 0.054 0.000 1.069 74 N HN 0.757 nan 8.380 nan 0.000 0.476 75 Y N -0.949 119.255 120.300 -0.161 0.000 4.409 75 Y HA -0.281 4.269 4.550 -0.000 0.000 0.228 75 Y C 1.800 177.397 175.900 -0.506 0.000 1.108 75 Y CA 0.351 58.178 58.100 -0.454 0.000 1.955 75 Y CB -1.836 36.412 38.460 -0.353 0.000 1.615 75 Y HN 0.801 nan 8.280 nan 0.000 0.665 76 G N 0.453 109.120 108.800 -0.222 0.000 2.422 76 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 76 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 76 G C 1.345 176.124 174.900 -0.201 0.000 1.140 76 G CA 0.868 45.855 45.100 -0.188 0.000 0.775 76 G HN 0.786 nan 8.290 nan 0.000 0.545 77 W N 1.740 122.947 121.300 -0.155 0.000 2.355 77 W HA -0.060 4.600 4.660 -0.000 0.000 0.309 77 W C 2.029 178.378 176.519 -0.284 0.000 1.206 77 W CA 1.061 58.243 57.345 -0.272 0.000 1.284 77 W CB -1.166 28.228 29.460 -0.110 0.000 1.145 77 W HN 0.307 nan 8.180 nan 0.000 0.502 78 I N 0.815 120.997 120.570 -0.647 0.000 2.179 78 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 78 I C 2.754 178.763 176.117 -0.180 0.000 1.088 78 I CA 1.641 62.722 61.300 -0.364 0.000 1.357 78 I CB -1.156 36.471 38.000 -0.622 0.000 1.051 78 I HN -0.175 nan 8.210 nan 0.000 0.409 79 I N 0.652 121.076 120.570 -0.243 0.000 2.113 79 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 79 I C 2.941 179.024 176.117 -0.056 0.000 1.064 79 I CA 1.474 62.693 61.300 -0.136 0.000 1.320 79 I CB -0.530 37.393 38.000 -0.129 0.000 1.028 79 I HN 0.299 nan 8.210 nan 0.000 0.406 80 R N 0.677 121.095 120.500 -0.136 0.000 2.083 80 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 80 R C 2.251 178.557 176.300 0.010 0.000 1.137 80 R CA 2.068 58.092 56.100 -0.128 0.000 0.951 80 R CB -0.580 29.536 30.300 -0.306 0.000 0.851 80 R HN 0.349 nan 8.270 nan 0.000 0.434 81 Y N -0.210 120.199 120.300 0.182 0.000 2.395 81 Y HA 0.035 4.585 4.550 -0.000 0.000 0.293 81 Y C 2.394 178.395 175.900 0.169 0.000 1.123 81 Y CA 0.662 58.881 58.100 0.198 0.000 1.227 81 Y CB -0.515 38.084 38.460 0.233 0.000 1.012 81 Y HN -0.018 nan 8.280 nan 0.000 0.552 82 M N -1.348 118.397 119.600 0.242 0.000 2.175 82 M HA -0.202 4.278 4.480 -0.000 0.000 0.264 82 M C 2.029 178.449 176.300 0.199 0.000 1.063 82 M CA 1.663 57.066 55.300 0.172 0.000 1.119 82 M CB -0.431 32.217 32.600 0.080 0.000 1.377 82 M HN 0.269 nan 8.290 nan 0.000 0.415 83 H N 0.413 119.550 119.070 0.112 0.000 2.270 83 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 83 H C 1.991 177.430 175.328 0.185 0.000 1.077 83 H CA 2.321 58.442 56.048 0.123 0.000 1.294 83 H CB -0.211 29.608 29.762 0.096 0.000 1.371 83 H HN 0.303 nan 8.280 nan 0.000 0.491 84 A N 0.705 123.691 122.820 0.277 0.000 1.873 84 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 84 A C 2.278 180.016 177.584 0.256 0.000 1.193 84 A CA 2.049 54.251 52.037 0.276 0.000 0.629 84 A CB -0.629 18.597 19.000 0.376 0.000 0.826 84 A HN 0.576 nan 8.150 nan 0.000 0.447 85 N N -0.203 118.655 118.700 0.263 0.000 2.309 85 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 85 N C 1.774 177.412 175.510 0.213 0.000 1.018 85 N CA 1.190 54.387 53.050 0.246 0.000 0.876 85 N CB -0.520 38.100 38.487 0.221 0.000 0.972 85 N HN 0.519 nan 8.380 nan 0.000 0.434 86 G N 0.719 109.612 108.800 0.155 0.000 2.422 86 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 86 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 86 G C 1.663 176.650 174.900 0.145 0.000 1.140 86 G CA 0.879 46.046 45.100 0.112 0.000 0.775 86 G HN 0.386 nan 8.290 nan 0.000 0.545 87 A N 0.652 123.548 122.820 0.126 0.000 1.933 87 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 87 A C 2.669 180.389 177.584 0.227 0.000 1.175 87 A CA 2.235 54.358 52.037 0.144 0.000 0.628 87 A CB -0.496 18.567 19.000 0.106 0.000 0.814 87 A HN 0.304 nan 8.150 nan 0.000 0.444 88 S N -0.798 115.110 115.700 0.346 0.000 2.371 88 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 88 S C 2.023 176.925 174.600 0.503 0.000 1.029 88 S CA 1.369 59.915 58.200 0.576 0.000 0.978 88 S CB -0.265 63.385 63.200 0.750 0.000 0.833 88 S HN 0.458 nan 8.310 nan 0.000 0.466 89 M N 0.454 120.253 119.600 0.332 0.000 2.149 89 M HA -0.022 4.458 4.480 -0.000 0.000 0.261 89 M C 1.777 178.204 176.300 0.211 0.000 1.064 89 M CA 1.179 56.627 55.300 0.246 0.000 1.102 89 M CB -1.412 31.281 32.600 0.155 0.000 1.369 89 M HN 0.288 nan 8.290 nan 0.000 0.408 90 F N 0.133 120.068 119.950 -0.025 0.000 2.216 90 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 90 F C 1.935 177.479 175.800 -0.427 0.000 1.085 90 F CA 1.117 58.976 58.000 -0.235 0.000 1.326 90 F CB -0.588 38.210 39.000 -0.336 0.000 1.027 90 F HN -0.004 nan 8.300 nan 0.000 0.497 91 F N -0.866 119.012 119.950 -0.121 0.000 2.335 91 F HA -0.090 4.437 4.527 -0.000 0.000 0.296 91 F C 2.374 178.033 175.800 -0.235 0.000 1.091 91 F CA 0.428 58.148 58.000 -0.468 0.000 1.399 91 F CB -0.469 37.999 39.000 -0.886 0.000 1.067 91 F HN -0.164 nan 8.300 nan 0.000 0.520 92 I N -0.498 120.272 120.570 0.333 0.000 2.179 92 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 92 I C 2.345 178.540 176.117 0.130 0.000 1.088 92 I CA 1.265 62.772 61.300 0.344 0.000 1.357 92 I CB -1.208 36.996 38.000 0.339 0.000 1.051 92 I HN 0.228 nan 8.210 nan 0.000 0.409 93 C N 0.165 119.536 119.300 0.119 0.000 2.446 93 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 93 C C 2.748 177.736 174.990 -0.003 0.000 1.275 93 C CA 0.054 59.143 59.018 0.118 0.000 1.727 93 C CB -1.125 26.752 27.740 0.230 0.000 2.010 93 C HN 0.417 nan 8.230 nan 0.000 0.486 94 L N 0.133 121.293 121.223 -0.105 0.000 2.012 94 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 94 L C 2.355 179.181 176.870 -0.072 0.000 1.073 94 L CA 2.046 56.768 54.840 -0.197 0.000 0.748 94 L CB -1.161 40.572 42.059 -0.544 0.000 0.891 94 L HN 0.334 nan 8.230 nan 0.000 0.431 95 Y N -2.136 118.176 120.300 0.020 0.000 2.200 95 Y HA -0.222 4.328 4.550 -0.000 0.000 0.290 95 Y C 2.480 178.359 175.900 -0.034 0.000 1.137 95 Y CA 0.945 59.047 58.100 0.003 0.000 1.163 95 Y CB -0.866 37.619 38.460 0.042 0.000 0.988 95 Y HN 0.133 nan 8.280 nan 0.000 0.518 96 M N -0.693 118.919 119.600 0.019 0.000 2.065 96 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 96 M C 2.118 178.404 176.300 -0.023 0.000 1.069 96 M CA 1.838 57.040 55.300 -0.164 0.000 1.110 96 M CB -1.148 30.863 32.600 -0.981 0.000 1.328 96 M HN 0.283 nan 8.290 nan 0.000 0.405 97 H N -0.740 118.289 119.070 -0.069 0.000 2.319 97 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 97 H C 1.901 177.270 175.328 0.069 0.000 1.097 97 H CA 2.279 58.359 56.048 0.054 0.000 1.285 97 H CB -0.210 29.601 29.762 0.082 0.000 1.368 97 H HN 0.157 nan 8.280 nan 0.000 0.495 98 V N -0.381 119.628 119.914 0.158 0.000 2.307 98 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 98 V C 2.701 178.899 176.094 0.174 0.000 1.045 98 V CA 1.803 64.174 62.300 0.120 0.000 1.024 98 V CB -1.154 30.720 31.823 0.084 0.000 0.651 98 V HN 0.710 nan 8.190 nan 0.000 0.449 99 G N -0.036 108.827 108.800 0.106 0.000 2.440 99 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 99 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 99 G C 1.727 176.654 174.900 0.046 0.000 1.154 99 G CA 0.851 46.015 45.100 0.106 0.000 0.767 99 G HN 0.320 nan 8.290 nan 0.000 0.552 100 R N 1.184 121.634 120.500 -0.083 0.000 2.091 100 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 100 R C 2.696 178.971 176.300 -0.041 0.000 1.136 100 R CA 2.020 58.022 56.100 -0.164 0.000 0.959 100 R CB -1.291 28.890 30.300 -0.198 0.000 0.856 100 R HN 0.298 nan 8.270 nan 0.000 0.437 101 G N 1.307 110.122 108.800 0.026 0.000 2.422 101 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 101 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 101 G C 1.701 176.707 174.900 0.178 0.000 1.146 101 G CA 0.582 45.775 45.100 0.154 0.000 0.769 101 G HN 0.339 nan 8.290 nan 0.000 0.547 102 L N -1.278 120.090 121.223 0.241 0.000 2.044 102 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 102 L C 2.562 179.454 176.870 0.036 0.000 1.075 102 L CA 1.295 56.265 54.840 0.217 0.000 0.747 102 L CB -0.274 41.930 42.059 0.242 0.000 0.903 102 L HN 0.351 nan 8.230 nan 0.000 0.435 103 Y N -0.555 119.494 120.300 -0.418 0.000 2.128 103 Y HA -0.335 4.215 4.550 -0.000 0.000 0.284 103 Y C 1.960 177.425 175.900 -0.724 0.000 1.154 103 Y CA 2.003 59.519 58.100 -0.975 0.000 1.149 103 Y CB -0.263 37.236 38.460 -1.601 0.000 0.976 103 Y HN 0.162 nan 8.280 nan 0.000 0.505 104 Y N -0.356 119.911 120.300 -0.055 0.000 2.529 104 Y HA 0.176 4.726 4.550 -0.000 0.000 0.290 104 Y C 1.909 177.669 175.900 -0.233 0.000 1.177 104 Y CA 0.426 58.491 58.100 -0.059 0.000 1.305 104 Y CB 0.018 38.516 38.460 0.064 0.000 1.047 104 Y HN 0.306 nan 8.280 nan 0.000 0.522 105 G N -0.828 107.789 108.800 -0.306 0.000 2.184 105 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.264 105 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.264 105 G C 1.298 175.522 174.900 -1.126 0.000 0.975 105 G CA 0.633 45.196 45.100 -0.896 0.000 0.642 105 G HN 0.368 nan 8.290 nan 0.000 0.536 106 S N -0.165 115.165 115.700 -0.617 0.000 2.440 106 S HA -0.192 4.278 4.470 -0.000 0.000 0.240 106 S C 1.903 176.140 174.600 -0.606 0.000 1.014 106 S CA 1.968 59.850 58.200 -0.531 0.000 0.980 106 S CB -0.523 62.580 63.200 -0.162 0.000 0.775 106 S HN 1.027 nan 8.310 nan 0.000 0.499 107 Y N 1.997 121.933 120.300 -0.607 0.000 2.569 107 Y HA -0.070 4.480 4.550 -0.000 0.000 0.293 107 Y C 2.307 177.860 175.900 -0.577 0.000 1.144 107 Y CA 0.912 58.460 58.100 -0.920 0.000 1.321 107 Y CB -1.948 35.391 38.460 -1.868 0.000 0.982 107 Y HN 0.282 nan 8.280 nan 0.000 0.558 108 T N -3.013 111.112 114.554 -0.714 0.000 3.025 108 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 108 T C 0.231 174.834 174.700 -0.161 0.000 1.126 108 T CA 0.172 62.001 62.100 -0.452 0.000 1.105 108 T CB -0.798 67.710 68.868 -0.600 0.000 0.884 108 T HN 0.165 nan 8.240 nan 0.000 0.522 109 F N 2.718 122.605 119.950 -0.105 0.000 2.619 109 F HA 0.458 4.985 4.527 -0.000 0.000 0.350 109 F C 1.423 177.239 175.800 0.027 0.000 1.259 109 F CA -2.301 55.686 58.000 -0.022 0.000 1.204 109 F CB -0.880 38.134 39.000 0.024 0.000 1.556 109 F HN 0.054 nan 8.300 nan 0.000 0.650 110 L N 0.426 121.745 121.223 0.159 0.000 1.978 110 L HA -0.282 4.058 4.340 -0.000 0.000 0.218 110 L C 2.052 178.987 176.870 0.108 0.000 1.075 110 L CA 1.841 56.754 54.840 0.121 0.000 0.767 110 L CB -0.586 41.501 42.059 0.047 0.000 0.890 110 L HN 0.333 nan 8.230 nan 0.000 0.434 111 E N -0.251 119.896 120.200 -0.088 0.000 2.058 111 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 111 E C 2.129 178.654 176.600 -0.125 0.000 0.997 111 E CA 1.894 58.087 56.400 -0.343 0.000 0.801 111 E CB -0.327 28.712 29.700 -1.101 0.000 0.746 111 E HN 0.398 nan 8.360 nan 0.000 0.450 112 T N 0.667 115.242 114.554 0.034 0.000 2.635 112 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 112 T C 1.249 176.178 174.700 0.383 0.000 1.040 112 T CA 1.413 63.636 62.100 0.206 0.000 1.156 112 T CB -0.409 68.570 68.868 0.184 0.000 0.863 112 T HN 0.426 nan 8.240 nan 0.000 0.430 113 W N 2.271 123.683 121.300 0.187 0.000 2.379 113 W HA -0.076 4.584 4.660 -0.000 0.000 0.307 113 W C 1.939 178.542 176.519 0.140 0.000 1.200 113 W CA 1.011 58.472 57.345 0.193 0.000 1.297 113 W CB -0.599 28.957 29.460 0.161 0.000 1.140 113 W HN 0.340 nan 8.180 nan 0.000 0.507 114 N N 0.489 119.348 118.700 0.264 0.000 2.166 114 N HA -0.195 4.545 4.740 -0.000 0.000 0.186 114 N C 1.664 177.189 175.510 0.025 0.000 1.019 114 N CA 1.395 54.503 53.050 0.096 0.000 0.856 114 N CB -0.193 38.362 38.487 0.114 0.000 0.993 114 N HN 0.037 nan 8.380 nan 0.000 0.426 115 I N 1.125 121.754 120.570 0.099 0.000 2.286 115 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 115 I C 2.547 178.656 176.117 -0.014 0.000 1.115 115 I CA 1.008 62.374 61.300 0.111 0.000 1.392 115 I CB -1.569 36.602 38.000 0.285 0.000 1.065 115 I HN 0.107 nan 8.210 nan 0.000 0.418 116 G N 0.413 109.202 108.800 -0.018 0.000 2.442 116 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 116 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 116 G C 1.852 176.577 174.900 -0.291 0.000 1.141 116 G CA 0.872 45.827 45.100 -0.242 0.000 0.763 116 G HN 0.277 nan 8.290 nan 0.000 0.554 117 V N 1.548 121.276 119.914 -0.309 0.000 2.295 117 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 117 V C 2.807 178.814 176.094 -0.145 0.000 1.049 117 V CA 1.160 63.306 62.300 -0.258 0.000 1.024 117 V CB -0.313 31.375 31.823 -0.224 0.000 0.648 117 V HN 0.299 nan 8.190 nan 0.000 0.447 118 I N -0.296 120.212 120.570 -0.104 0.000 2.208 118 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 118 I C 2.388 178.447 176.117 -0.097 0.000 1.097 118 I CA 1.879 63.139 61.300 -0.068 0.000 1.363 118 I CB -0.976 37.006 38.000 -0.029 0.000 1.051 118 I HN 0.303 nan 8.210 nan 0.000 0.413 119 L N -0.152 120.984 121.223 -0.146 0.000 2.083 119 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 119 L C 2.576 179.325 176.870 -0.200 0.000 1.083 119 L CA 0.809 55.541 54.840 -0.180 0.000 0.752 119 L CB -0.528 41.376 42.059 -0.258 0.000 0.899 119 L HN 0.230 nan 8.230 nan 0.000 0.433 120 L N -0.225 120.882 121.223 -0.193 0.000 2.005 120 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 120 L C 2.336 179.138 176.870 -0.114 0.000 1.072 120 L CA 1.720 56.450 54.840 -0.184 0.000 0.744 120 L CB -0.484 41.496 42.059 -0.131 0.000 0.895 120 L HN 0.063 nan 8.230 nan 0.000 0.433 121 L N -0.798 120.388 121.223 -0.060 0.000 2.013 121 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 121 L C 2.383 179.242 176.870 -0.018 0.000 1.073 121 L CA 2.061 56.897 54.840 -0.007 0.000 0.753 121 L CB -1.169 40.885 42.059 -0.008 0.000 0.890 121 L HN 0.352 nan 8.230 nan 0.000 0.432 122 T N -0.771 113.743 114.554 -0.066 0.000 2.708 122 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 122 T C 1.873 176.504 174.700 -0.115 0.000 1.037 122 T CA 1.651 63.705 62.100 -0.077 0.000 1.146 122 T CB -0.429 68.388 68.868 -0.085 0.000 0.865 122 T HN 0.343 nan 8.240 nan 0.000 0.435 123 V N 0.310 120.086 119.914 -0.230 0.000 2.759 123 V HA -0.048 4.072 4.120 -0.000 0.000 0.256 123 V C 2.077 178.082 176.094 -0.148 0.000 1.080 123 V CA 1.450 63.517 62.300 -0.388 0.000 1.101 123 V CB -0.718 30.534 31.823 -0.952 0.000 0.698 123 V HN 0.458 nan 8.190 nan 0.000 0.477 124 M N 0.349 119.966 119.600 0.029 0.000 2.077 124 M HA 0.018 4.498 4.480 -0.000 0.000 0.261 124 M C 2.503 179.021 176.300 0.364 0.000 1.070 124 M CA 2.200 57.709 55.300 0.348 0.000 1.125 124 M CB -0.526 32.288 32.600 0.358 0.000 1.339 124 M HN 0.506 nan 8.290 nan 0.000 0.409 125 A N -0.250 122.686 122.820 0.193 0.000 1.940 125 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 125 A C 2.117 179.791 177.584 0.150 0.000 1.176 125 A CA 2.335 54.472 52.037 0.168 0.000 0.631 125 A CB -1.212 17.821 19.000 0.054 0.000 0.814 125 A HN 0.493 nan 8.150 nan 0.000 0.446 126 T N 0.215 114.822 114.554 0.088 0.000 2.674 126 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 126 T C 2.247 177.094 174.700 0.244 0.000 1.039 126 T CA 1.778 63.928 62.100 0.084 0.000 1.150 126 T CB -0.488 68.332 68.868 -0.079 0.000 0.864 126 T HN 0.614 nan 8.240 nan 0.000 0.427 127 A N 0.866 123.843 122.820 0.261 0.000 1.930 127 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 127 A C 2.042 179.880 177.584 0.424 0.000 1.175 127 A CA 1.288 53.535 52.037 0.351 0.000 0.627 127 A CB -0.989 18.209 19.000 0.329 0.000 0.815 127 A HN 0.596 nan 8.150 nan 0.000 0.443 128 F N 0.116 120.233 119.950 0.279 0.000 2.069 128 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 128 F C 2.226 178.094 175.800 0.114 0.000 1.113 128 F CA 2.179 60.259 58.000 0.133 0.000 1.214 128 F CB -0.202 38.758 39.000 -0.066 0.000 0.978 128 F HN 0.161 nan 8.300 nan 0.000 0.474 129 M N 0.671 120.035 119.600 -0.394 0.000 2.279 129 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 129 M C 2.344 178.493 176.300 -0.252 0.000 1.062 129 M CA 1.451 56.416 55.300 -0.558 0.000 1.099 129 M CB -0.869 31.411 32.600 -0.534 0.000 1.394 129 M HN 0.433 nan 8.290 nan 0.000 0.426 130 G N -0.898 107.769 108.800 -0.222 0.000 2.433 130 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 130 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 130 G C 1.346 176.190 174.900 -0.093 0.000 1.186 130 G CA 0.529 45.321 45.100 -0.513 0.000 0.779 130 G HN 0.485 nan 8.290 nan 0.000 0.543 131 Y N 0.813 121.107 120.300 -0.011 0.000 2.384 131 Y HA -0.127 4.423 4.550 -0.000 0.000 0.289 131 Y C 2.697 178.637 175.900 0.068 0.000 1.152 131 Y CA 0.858 58.996 58.100 0.063 0.000 1.258 131 Y CB 0.239 38.780 38.460 0.134 0.000 0.979 131 Y HN 0.068 nan 8.280 nan 0.000 0.549 132 V N 0.002 119.940 119.914 0.039 0.000 2.719 132 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 132 V C 2.172 178.352 176.094 0.143 0.000 1.065 132 V CA 1.242 63.597 62.300 0.092 0.000 1.086 132 V CB -0.514 31.458 31.823 0.249 0.000 0.700 132 V HN 0.419 nan 8.190 nan 0.000 0.467 133 L N 0.422 121.672 121.223 0.046 0.000 2.051 133 L HA -0.168 4.172 4.340 -0.000 0.000 0.214 133 L C -0.049 176.876 176.870 0.092 0.000 1.076 133 L CA 1.829 56.680 54.840 0.017 0.000 0.758 133 L CB -2.066 39.848 42.059 -0.241 0.000 0.890 133 L HN 0.398 nan 8.230 nan 0.000 0.433 134 P HA -0.207 nan 4.420 nan 0.000 0.226 134 P C 0.274 177.695 177.300 0.201 0.000 1.153 134 P CA 0.674 63.769 63.100 -0.009 0.000 0.777 134 P CB -0.053 31.513 31.700 -0.223 0.000 0.794 135 W N -0.331 120.951 121.300 -0.030 0.000 4.949 135 W HA -0.150 4.510 4.660 -0.000 0.000 0.380 135 W C 0.060 176.656 176.519 0.129 0.000 1.446 135 W CA -0.074 57.295 57.345 0.040 0.000 0.869 135 W CB -1.387 28.106 29.460 0.056 0.000 2.591 135 W HN -0.055 nan 8.180 nan 0.000 1.398 136 G N 0.728 109.564 108.800 0.060 0.000 2.580 136 G HA2 0.164 4.124 3.960 -0.000 0.000 0.278 136 G HA3 0.164 4.124 3.960 -0.000 0.000 0.278 136 G C 0.590 175.457 174.900 -0.055 0.000 1.212 136 G CA -0.004 45.149 45.100 0.088 0.000 0.939 136 G HN 0.243 nan 8.290 nan 0.000 0.513 137 Q N -0.753 119.073 119.800 0.043 0.000 2.135 137 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 137 Q C 2.595 178.735 176.000 0.233 0.000 0.981 137 Q CA 1.150 57.038 55.803 0.143 0.000 0.856 137 Q CB -0.151 28.706 28.738 0.199 0.000 0.902 137 Q HN 0.439 nan 8.270 nan 0.000 0.425 138 M N -0.347 119.342 119.600 0.148 0.000 2.394 138 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 138 M C 2.060 178.431 176.300 0.118 0.000 1.073 138 M CA 0.860 56.280 55.300 0.199 0.000 1.111 138 M CB -0.713 32.052 32.600 0.275 0.000 1.401 138 M HN -0.015 nan 8.290 nan 0.000 0.448 139 S N 0.500 116.132 115.700 -0.115 0.000 2.355 139 S HA -0.098 4.372 4.470 -0.000 0.000 0.222 139 S C 1.727 176.257 174.600 -0.116 0.000 1.031 139 S CA 1.005 59.095 58.200 -0.184 0.000 0.993 139 S CB -0.451 62.617 63.200 -0.221 0.000 0.859 139 S HN 0.479 nan 8.310 nan 0.000 0.453 140 F N 0.743 120.415 119.950 -0.463 0.000 2.163 140 F HA 0.013 4.540 4.527 -0.000 0.000 0.297 140 F C 1.683 177.192 175.800 -0.485 0.000 1.094 140 F CA 1.003 58.559 58.000 -0.739 0.000 1.290 140 F CB -0.398 37.867 39.000 -1.225 0.000 1.017 140 F HN 0.196 nan 8.300 nan 0.000 0.483 141 W N 0.314 121.491 121.300 -0.205 0.000 2.518 141 W HA 0.128 4.788 4.660 -0.000 0.000 0.273 141 W C 2.582 179.031 176.519 -0.115 0.000 1.247 141 W CA 0.895 58.122 57.345 -0.197 0.000 1.288 141 W CB -0.918 28.540 29.460 -0.004 0.000 1.107 141 W HN 0.112 nan 8.180 nan 0.000 0.586 142 G N 0.443 109.336 108.800 0.154 0.000 2.414 142 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 142 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 142 G C 1.690 176.710 174.900 0.200 0.000 1.188 142 G CA 1.310 46.510 45.100 0.167 0.000 0.783 142 G HN 0.249 nan 8.290 nan 0.000 0.537 143 A N 0.243 123.164 122.820 0.167 0.000 1.940 143 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 143 A C 2.518 180.193 177.584 0.153 0.000 1.176 143 A CA 2.564 54.751 52.037 0.249 0.000 0.631 143 A CB -0.889 18.114 19.000 0.006 0.000 0.814 143 A HN 0.334 nan 8.150 nan 0.000 0.446 144 T N -0.512 113.959 114.554 -0.138 0.000 2.668 144 T HA -0.096 4.254 4.350 -0.000 0.000 0.258 144 T C 1.900 176.687 174.700 0.146 0.000 1.051 144 T CA 1.493 63.543 62.100 -0.083 0.000 1.155 144 T CB -0.640 67.992 68.868 -0.394 0.000 0.864 144 T HN 0.126 nan 8.240 nan 0.000 0.413 145 V N 1.970 121.957 119.914 0.122 0.000 2.317 145 V HA -0.189 3.931 4.120 -0.000 0.000 0.251 145 V C 2.471 178.600 176.094 0.058 0.000 1.065 145 V CA 1.362 63.727 62.300 0.109 0.000 1.049 145 V CB -0.696 31.171 31.823 0.073 0.000 0.651 145 V HN 0.383 nan 8.190 nan 0.000 0.450 146 I N -0.014 120.567 120.570 0.019 0.000 2.110 146 I HA -0.171 3.999 4.170 -0.000 0.000 0.236 146 I C 2.607 178.703 176.117 -0.036 0.000 1.068 146 I CA 2.019 63.246 61.300 -0.122 0.000 1.333 146 I CB -1.949 35.795 38.000 -0.425 0.000 1.054 146 I HN 0.283 nan 8.210 nan 0.000 0.402 147 T N 1.588 116.230 114.554 0.147 0.000 2.699 147 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 147 T C 1.737 176.413 174.700 -0.039 0.000 1.036 147 T CA 1.553 63.727 62.100 0.124 0.000 1.147 147 T CB -0.384 68.670 68.868 0.310 0.000 0.862 147 T HN 0.233 nan 8.240 nan 0.000 0.446 148 N N 0.986 119.719 118.700 0.054 0.000 2.430 148 N HA 0.003 4.743 4.740 -0.000 0.000 0.186 148 N C 1.695 177.194 175.510 -0.019 0.000 1.032 148 N CA 0.516 53.570 53.050 0.007 0.000 0.893 148 N CB -0.427 38.167 38.487 0.177 0.000 0.957 148 N HN 0.411 nan 8.380 nan 0.000 0.442 149 L N 0.303 121.514 121.223 -0.020 0.000 2.042 149 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 149 L C 1.898 178.745 176.870 -0.038 0.000 1.076 149 L CA 0.824 55.648 54.840 -0.026 0.000 0.749 149 L CB -0.316 41.715 42.059 -0.047 0.000 0.893 149 L HN 0.157 nan 8.230 nan 0.000 0.432 150 L N -0.516 120.671 121.223 -0.061 0.000 2.450 150 L HA -0.155 4.185 4.340 -0.000 0.000 0.224 150 L C 2.477 179.311 176.870 -0.059 0.000 1.149 150 L CA 0.995 55.801 54.840 -0.058 0.000 0.816 150 L CB -0.655 41.364 42.059 -0.067 0.000 0.932 150 L HN 0.356 nan 8.230 nan 0.000 0.449 151 S N -0.619 115.041 115.700 -0.068 0.000 2.607 151 S HA 0.073 4.543 4.470 -0.000 0.000 0.224 151 S C 1.840 176.432 174.600 -0.014 0.000 0.969 151 S CA 0.422 58.593 58.200 -0.049 0.000 0.927 151 S CB 0.042 63.214 63.200 -0.047 0.000 0.772 151 S HN 0.334 nan 8.310 nan 0.000 0.533 152 A N 1.206 124.020 122.820 -0.010 0.000 2.132 152 A HA 0.429 4.749 4.320 -0.000 0.000 0.213 152 A C 0.863 178.451 177.584 0.006 0.000 1.154 152 A CA -0.188 51.849 52.037 0.001 0.000 0.753 152 A CB -0.417 18.582 19.000 -0.002 0.000 0.826 152 A HN 0.605 nan 8.150 nan 0.000 0.469 153 I N 2.063 122.635 120.570 0.003 0.000 2.581 153 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 153 I C -2.281 173.856 176.117 0.033 0.000 1.129 153 I CA -1.645 59.663 61.300 0.014 0.000 1.397 153 I CB 0.679 38.684 38.000 0.009 0.000 1.399 153 I HN 0.058 nan 8.210 nan 0.000 0.537 154 P HA -0.096 nan 4.420 nan 0.000 0.264 154 P C 0.070 177.472 177.300 0.171 0.000 1.193 154 P CA 0.409 63.559 63.100 0.083 0.000 0.763 154 P CB 0.190 31.926 31.700 0.060 0.000 0.810 155 Y N 2.617 122.914 120.300 -0.006 0.000 4.138 155 Y HA -0.324 4.226 4.550 -0.000 0.000 0.347 155 Y C 0.781 176.676 175.900 -0.007 0.000 1.116 155 Y CA 1.939 60.037 58.100 -0.005 0.000 2.132 155 Y CB -1.915 36.541 38.460 -0.007 0.000 0.967 155 Y HN 0.404 nan 8.280 nan 0.000 0.470 156 I N -1.292 119.273 120.570 -0.008 0.000 4.139 156 I HA 0.183 4.353 4.170 -0.000 0.000 0.320 156 I C 2.354 178.436 176.117 -0.059 0.000 1.290 156 I CA 0.669 61.917 61.300 -0.087 0.000 1.253 156 I CB -0.256 37.728 38.000 -0.026 0.000 1.122 156 I HN 0.297 nan 8.210 nan 0.000 0.421 157 G N 1.350 110.135 108.800 -0.025 0.000 2.469 157 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 157 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 157 G C 1.579 176.449 174.900 -0.051 0.000 1.150 157 G CA 1.850 46.931 45.100 -0.031 0.000 0.763 157 G HN 0.263 nan 8.290 nan 0.000 0.561 158 T N 1.164 115.697 114.554 -0.035 0.000 2.701 158 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 158 T C 2.282 176.973 174.700 -0.015 0.000 1.040 158 T CA 1.481 63.570 62.100 -0.019 0.000 1.147 158 T CB -0.417 68.463 68.868 0.019 0.000 0.865 158 T HN 0.434 nan 8.240 nan 0.000 0.426 159 N N 1.101 119.788 118.700 -0.022 0.000 2.205 159 N HA -0.010 4.730 4.740 -0.000 0.000 0.186 159 N C 1.761 177.291 175.510 0.033 0.000 1.015 159 N CA 0.616 53.664 53.050 -0.004 0.000 0.862 159 N CB -0.295 38.154 38.487 -0.064 0.000 0.986 159 N HN 0.224 nan 8.380 nan 0.000 0.429 160 L N 0.238 121.463 121.223 0.004 0.000 2.027 160 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 160 L C 1.842 178.730 176.870 0.030 0.000 1.074 160 L CA 0.938 55.816 54.840 0.064 0.000 0.745 160 L CB -0.095 41.973 42.059 0.015 0.000 0.898 160 L HN 0.024 nan 8.230 nan 0.000 0.433 161 V N -0.215 119.609 119.914 -0.151 0.000 2.358 161 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 161 V C 2.308 178.097 176.094 -0.508 0.000 1.047 161 V CA 1.961 63.979 62.300 -0.471 0.000 1.035 161 V CB -0.443 30.976 31.823 -0.673 0.000 0.658 161 V HN 0.473 nan 8.190 nan 0.000 0.452 162 E N -1.355 118.750 120.200 -0.160 0.000 2.204 162 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 162 E C 1.881 178.567 176.600 0.143 0.000 0.989 162 E CA 1.307 57.755 56.400 0.081 0.000 0.824 162 E CB -0.167 29.608 29.700 0.125 0.000 0.756 162 E HN 0.768 nan 8.360 nan 0.000 0.477 163 W N 1.513 122.792 121.300 -0.036 0.000 2.381 163 W HA -0.120 4.540 4.660 -0.000 0.000 0.301 163 W C 1.973 178.528 176.519 0.060 0.000 1.205 163 W CA 1.529 58.877 57.345 0.005 0.000 1.285 163 W CB -0.186 29.268 29.460 -0.009 0.000 1.133 163 W HN 0.102 nan 8.180 nan 0.000 0.521 164 I N -1.726 118.810 120.570 -0.056 0.000 2.761 164 I HA -0.083 4.087 4.170 -0.000 0.000 0.261 164 I C 1.809 177.972 176.117 0.078 0.000 1.198 164 I CA 1.191 62.400 61.300 -0.152 0.000 1.482 164 I CB -0.642 37.337 38.000 -0.034 0.000 1.100 164 I HN -0.089 nan 8.210 nan 0.000 0.445 165 W N 2.415 123.695 121.300 -0.033 0.000 2.409 165 W HA 0.254 4.914 4.660 -0.000 0.000 0.299 165 W C 2.081 178.540 176.519 -0.100 0.000 1.203 165 W CA 1.532 58.844 57.345 -0.055 0.000 1.298 165 W CB -1.111 28.335 29.460 -0.024 0.000 1.127 165 W HN 0.433 nan 8.180 nan 0.000 0.528 166 G N 0.197 109.071 108.800 0.125 0.000 2.171 166 G HA2 0.143 4.103 3.960 -0.000 0.000 0.238 166 G HA3 0.143 4.103 3.960 -0.000 0.000 0.238 166 G C 0.371 175.251 174.900 -0.033 0.000 1.039 166 G CA 0.332 45.434 45.100 0.004 0.000 0.759 166 G HN 0.806 nan 8.290 nan 0.000 0.501 167 G N -2.120 106.659 108.800 -0.035 0.000 2.360 167 G HA2 0.514 4.474 3.960 -0.000 0.000 0.276 167 G HA3 0.514 4.474 3.960 -0.000 0.000 0.276 167 G C -0.158 174.651 174.900 -0.151 0.000 1.256 167 G CA 0.138 45.118 45.100 -0.201 0.000 0.890 167 G HN 0.508 nan 8.290 nan 0.000 0.486 168 F N 1.173 121.211 119.950 0.146 0.000 2.695 168 F HA 0.622 5.149 4.527 -0.000 0.000 0.303 168 F C 1.186 176.924 175.800 -0.102 0.000 1.091 168 F CA 0.118 58.238 58.000 0.200 0.000 1.300 168 F CB 1.035 40.109 39.000 0.123 0.000 1.071 168 F HN 0.332 nan 8.300 nan 0.000 0.578 169 S N -1.180 114.349 115.700 -0.285 0.000 2.688 169 S HA 0.487 4.957 4.470 -0.000 0.000 0.275 169 S C -0.873 173.161 174.600 -0.943 0.000 1.175 169 S CA -0.714 56.993 58.200 -0.821 0.000 0.818 169 S CB 1.863 64.874 63.200 -0.316 0.000 1.157 169 S HN -0.328 nan 8.310 nan 0.000 0.482 170 V N 2.782 122.179 119.914 -0.862 0.000 2.326 170 V HA 0.251 4.371 4.120 -0.000 0.000 0.249 170 V C 0.130 176.261 176.094 0.062 0.000 1.114 170 V CA 0.347 62.368 62.300 -0.466 0.000 1.028 170 V CB -0.169 31.357 31.823 -0.496 0.000 1.170 170 V HN 0.697 nan 8.190 nan 0.000 0.494 171 D N 2.737 123.116 120.400 -0.036 0.000 2.574 171 D HA 0.314 4.954 4.640 -0.000 0.000 0.210 171 D C 1.428 177.643 176.300 -0.142 0.000 1.277 171 D CA -0.427 53.579 54.000 0.010 0.000 1.121 171 D CB 0.992 41.763 40.800 -0.049 0.000 1.192 171 D HN 0.189 nan 8.370 nan 0.000 0.602 172 K N 0.022 120.320 120.400 -0.169 0.000 2.007 172 K HA 0.084 4.404 4.320 -0.000 0.000 0.206 172 K C 1.922 178.390 176.600 -0.220 0.000 1.047 172 K CA 1.130 57.271 56.287 -0.242 0.000 0.937 172 K CB -0.228 32.169 32.500 -0.171 0.000 0.718 172 K HN 0.251 nan 8.250 nan 0.000 0.438 173 A N 1.221 123.952 122.820 -0.149 0.000 1.908 173 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 173 A C 2.195 179.705 177.584 -0.125 0.000 1.181 173 A CA 2.261 54.228 52.037 -0.116 0.000 0.627 173 A CB -1.141 17.811 19.000 -0.081 0.000 0.818 173 A HN 0.335 nan 8.150 nan 0.000 0.445 174 T N 0.036 114.497 114.554 -0.154 0.000 2.821 174 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 174 T C 1.849 176.351 174.700 -0.330 0.000 1.046 174 T CA 1.181 63.149 62.100 -0.220 0.000 1.139 174 T CB -0.311 68.416 68.868 -0.236 0.000 0.871 174 T HN 0.347 nan 8.240 nan 0.000 0.454 175 L N 0.761 121.774 121.223 -0.349 0.000 2.005 175 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 175 L C 2.731 179.547 176.870 -0.090 0.000 1.072 175 L CA 1.532 56.174 54.840 -0.330 0.000 0.744 175 L CB -0.818 40.839 42.059 -0.670 0.000 0.895 175 L HN 0.290 nan 8.230 nan 0.000 0.433 176 T N -0.789 113.697 114.554 -0.114 0.000 2.720 176 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 176 T C 1.860 176.592 174.700 0.053 0.000 1.037 176 T CA 1.573 63.671 62.100 -0.003 0.000 1.144 176 T CB -0.268 68.560 68.868 -0.067 0.000 0.864 176 T HN 0.282 nan 8.240 nan 0.000 0.444 177 R N 0.278 120.773 120.500 -0.008 0.000 2.103 177 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 177 R C 2.219 178.578 176.300 0.099 0.000 1.132 177 R CA 1.813 57.885 56.100 -0.046 0.000 0.925 177 R CB -0.590 29.759 30.300 0.082 0.000 0.842 177 R HN 0.432 nan 8.270 nan 0.000 0.430 178 F N -0.383 119.597 119.950 0.051 0.000 2.236 178 F HA -0.273 4.254 4.527 -0.000 0.000 0.302 178 F C 2.142 178.057 175.800 0.191 0.000 1.073 178 F CA 0.565 58.650 58.000 0.141 0.000 1.336 178 F CB -0.201 38.835 39.000 0.060 0.000 1.040 178 F HN 0.198 nan 8.300 nan 0.000 0.507 179 F N 0.514 120.577 119.950 0.188 0.000 2.060 179 F HA -0.207 4.320 4.527 -0.000 0.000 0.295 179 F C 2.495 178.412 175.800 0.194 0.000 1.120 179 F CA 1.192 59.304 58.000 0.187 0.000 1.205 179 F CB -0.386 38.731 39.000 0.195 0.000 0.986 179 F HN -0.097 nan 8.300 nan 0.000 0.470 180 A N 0.583 123.385 122.820 -0.030 0.000 1.892 180 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 180 A C 1.920 179.437 177.584 -0.113 0.000 1.188 180 A CA 2.058 53.959 52.037 -0.226 0.000 0.631 180 A CB -1.524 17.255 19.000 -0.369 0.000 0.822 180 A HN 0.474 nan 8.150 nan 0.000 0.447 181 F N -1.025 118.965 119.950 0.066 0.000 2.234 181 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 181 F C 2.175 177.992 175.800 0.029 0.000 1.087 181 F CA 1.390 59.408 58.000 0.030 0.000 1.340 181 F CB -1.074 37.918 39.000 -0.014 0.000 1.031 181 F HN 0.509 nan 8.300 nan 0.000 0.500 182 H N -1.691 117.449 119.070 0.117 0.000 2.529 182 H HA -0.064 4.492 4.556 -0.000 0.000 0.277 182 H C 1.859 177.160 175.328 -0.045 0.000 0.999 182 H CA 0.940 57.003 56.048 0.025 0.000 1.256 182 H CB -0.148 29.645 29.762 0.051 0.000 1.402 182 H HN 0.125 nan 8.280 nan 0.000 0.566 183 F N -0.434 119.410 119.950 -0.177 0.000 2.220 183 F HA 0.077 4.604 4.527 -0.000 0.000 0.290 183 F C 2.162 177.856 175.800 -0.177 0.000 1.080 183 F CA 0.690 58.538 58.000 -0.254 0.000 1.318 183 F CB -0.351 38.444 39.000 -0.341 0.000 1.063 183 F HN 0.223 nan 8.300 nan 0.000 0.498 184 I N -0.736 119.973 120.570 0.233 0.000 2.500 184 I HA -0.193 3.977 4.170 -0.000 0.000 0.252 184 I C 2.066 178.245 176.117 0.102 0.000 1.142 184 I CA 0.786 62.241 61.300 0.259 0.000 1.451 184 I CB -0.138 37.995 38.000 0.222 0.000 1.093 184 I HN 0.102 nan 8.210 nan 0.000 0.430 185 L N 1.406 122.634 121.223 0.007 0.000 2.013 185 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 185 L C -0.496 176.289 176.870 -0.142 0.000 1.073 185 L CA 1.798 56.606 54.840 -0.053 0.000 0.753 185 L CB -1.789 40.240 42.059 -0.051 0.000 0.890 185 L HN 0.236 nan 8.230 nan 0.000 0.432 186 P HA -0.151 nan 4.420 nan 0.000 0.222 186 P C 1.251 178.383 177.300 -0.279 0.000 1.147 186 P CA 1.404 64.295 63.100 -0.349 0.000 0.790 186 P CB -0.004 31.385 31.700 -0.518 0.000 0.780 187 F N -1.356 118.607 119.950 0.022 0.000 2.187 187 F HA -0.040 4.487 4.527 -0.000 0.000 0.295 187 F C 2.242 178.057 175.800 0.025 0.000 1.091 187 F CA 0.522 58.541 58.000 0.033 0.000 1.308 187 F CB -0.833 38.199 39.000 0.052 0.000 1.030 187 F HN -0.224 nan 8.300 nan 0.000 0.487 188 I N 0.398 121.071 120.570 0.172 0.000 2.163 188 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 188 I C 2.319 178.469 176.117 0.056 0.000 1.085 188 I CA 1.401 62.762 61.300 0.101 0.000 1.347 188 I CB -0.449 37.595 38.000 0.074 0.000 1.044 188 I HN 0.097 nan 8.210 nan 0.000 0.408 189 I N -0.103 120.476 120.570 0.014 0.000 2.145 189 I HA -0.422 3.748 4.170 -0.000 0.000 0.244 189 I C 2.658 178.789 176.117 0.024 0.000 1.075 189 I CA 1.839 63.135 61.300 -0.008 0.000 1.332 189 I CB -0.264 37.712 38.000 -0.040 0.000 1.033 189 I HN 0.324 nan 8.210 nan 0.000 0.410 190 M N 0.063 119.695 119.600 0.055 0.000 2.086 190 M HA -0.218 4.261 4.480 -0.000 0.000 0.261 190 M C 2.417 178.760 176.300 0.071 0.000 1.067 190 M CA 2.170 57.514 55.300 0.073 0.000 1.116 190 M CB -0.168 32.501 32.600 0.115 0.000 1.348 190 M HN 0.312 nan 8.290 nan 0.000 0.407 191 A N 0.318 123.185 122.820 0.078 0.000 1.940 191 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 191 A C 1.920 179.535 177.584 0.052 0.000 1.176 191 A CA 1.697 53.770 52.037 0.061 0.000 0.631 191 A CB -1.029 18.008 19.000 0.061 0.000 0.814 191 A HN 0.616 nan 8.150 nan 0.000 0.446 192 I N -0.608 119.992 120.570 0.050 0.000 2.500 192 I HA -0.164 4.006 4.170 -0.000 0.000 0.252 192 I C 2.826 178.983 176.117 0.068 0.000 1.142 192 I CA 0.800 62.131 61.300 0.052 0.000 1.451 192 I CB -0.276 37.739 38.000 0.026 0.000 1.093 192 I HN 0.325 nan 8.210 nan 0.000 0.430 193 A N 0.622 123.473 122.820 0.051 0.000 2.019 193 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 193 A C 2.311 179.965 177.584 0.117 0.000 1.164 193 A CA 1.433 53.518 52.037 0.081 0.000 0.644 193 A CB -0.475 18.556 19.000 0.052 0.000 0.805 193 A HN 0.343 nan 8.150 nan 0.000 0.449 194 M N -1.120 118.522 119.600 0.070 0.000 2.236 194 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 194 M C 1.944 178.238 176.300 -0.010 0.000 1.070 194 M CA 0.996 56.314 55.300 0.029 0.000 1.137 194 M CB -0.137 32.476 32.600 0.021 0.000 1.378 194 M HN 0.217 nan 8.290 nan 0.000 0.426 195 V N -0.703 119.225 119.914 0.023 0.000 2.548 195 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 195 V C 2.212 178.362 176.094 0.094 0.000 1.055 195 V CA 1.950 64.244 62.300 -0.010 0.000 1.065 195 V CB -0.927 30.934 31.823 0.063 0.000 0.681 195 V HN 0.455 nan 8.190 nan 0.000 0.462 196 H N -0.072 119.036 119.070 0.063 0.000 2.293 196 H HA -0.153 4.403 4.556 -0.000 0.000 0.300 196 H C 1.904 177.249 175.328 0.028 0.000 1.082 196 H CA 1.950 58.065 56.048 0.112 0.000 1.308 196 H CB -0.179 29.633 29.762 0.082 0.000 1.375 196 H HN 0.243 nan 8.280 nan 0.000 0.495 197 L N -0.287 120.902 121.223 -0.057 0.000 2.201 197 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 197 L C 2.223 178.787 176.870 -0.510 0.000 1.105 197 L CA 0.942 55.585 54.840 -0.327 0.000 0.775 197 L CB -0.778 41.135 42.059 -0.243 0.000 0.913 197 L HN 0.359 nan 8.230 nan 0.000 0.440 198 L N -1.582 119.454 121.223 -0.312 0.000 1.994 198 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 198 L C 2.229 178.907 176.870 -0.321 0.000 1.071 198 L CA 1.876 56.513 54.840 -0.339 0.000 0.745 198 L CB -0.775 41.053 42.059 -0.386 0.000 0.892 198 L HN 0.131 nan 8.230 nan 0.000 0.431 199 F N -1.004 118.868 119.950 -0.130 0.000 2.171 199 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 199 F C 2.285 177.965 175.800 -0.200 0.000 1.090 199 F CA 1.283 59.212 58.000 -0.119 0.000 1.293 199 F CB -0.921 38.043 39.000 -0.060 0.000 1.013 199 F HN 0.120 nan 8.300 nan 0.000 0.486 200 L N -0.309 120.855 121.223 -0.099 0.000 2.127 200 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 200 L C 2.234 179.036 176.870 -0.113 0.000 1.089 200 L CA 2.021 56.741 54.840 -0.200 0.000 0.757 200 L CB -0.876 41.039 42.059 -0.240 0.000 0.899 200 L HN 0.251 nan 8.230 nan 0.000 0.434 201 H N -1.355 117.631 119.070 -0.140 0.000 2.491 201 H HA -0.053 4.503 4.556 -0.000 0.000 0.290 201 H C 1.692 176.943 175.328 -0.128 0.000 1.050 201 H CA 0.533 56.499 56.048 -0.138 0.000 1.309 201 H CB 0.322 29.997 29.762 -0.145 0.000 1.392 201 H HN 0.384 nan 8.280 nan 0.000 0.554 202 E N 0.212 120.409 120.200 -0.004 0.000 2.209 202 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 202 E C 2.113 178.666 176.600 -0.078 0.000 0.993 202 E CA 1.752 58.135 56.400 -0.029 0.000 0.819 202 E CB -0.005 29.697 29.700 0.003 0.000 0.745 202 E HN 0.652 nan 8.360 nan 0.000 0.477 203 T N -3.825 110.625 114.554 -0.175 0.000 2.964 203 T HA 0.415 4.765 4.350 -0.000 0.000 0.249 203 T C 1.006 175.646 174.700 -0.100 0.000 1.000 203 T CA 0.514 62.502 62.100 -0.186 0.000 0.992 203 T CB 0.947 69.541 68.868 -0.457 0.000 1.087 203 T HN 0.293 nan 8.240 nan 0.000 0.489 204 G N 1.062 109.808 108.800 -0.091 0.000 2.728 204 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.294 204 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.294 204 G C -0.419 174.531 174.900 0.083 0.000 1.342 204 G CA -0.432 44.679 45.100 0.019 0.000 0.866 204 G HN 0.594 nan 8.290 nan 0.000 0.534 205 S N -0.400 115.400 115.700 0.167 0.000 2.603 205 S HA 0.436 4.906 4.470 -0.000 0.000 0.268 205 S C 0.953 175.746 174.600 0.321 0.000 1.317 205 S CA 0.047 58.426 58.200 0.298 0.000 1.012 205 S CB 1.032 64.377 63.200 0.241 0.000 0.926 205 S HN 0.808 nan 8.310 nan 0.000 0.539 206 N N 0.574 119.544 118.700 0.450 0.000 2.418 206 N HA 0.320 5.060 4.740 -0.000 0.000 0.283 206 N C -0.594 174.979 175.510 0.106 0.000 1.267 206 N CA -0.514 52.704 53.050 0.279 0.000 0.975 206 N CB 0.489 39.103 38.487 0.212 0.000 1.167 206 N HN 0.812 nan 8.380 nan 0.000 0.581 207 N N -1.749 116.933 118.700 -0.030 0.000 2.732 207 N HA 0.394 5.134 4.740 -0.000 0.000 0.259 207 N C -2.665 172.693 175.510 -0.254 0.000 1.402 207 N CA -1.141 51.641 53.050 -0.446 0.000 0.829 207 N CB 1.890 40.160 38.487 -0.362 0.000 1.495 207 N HN 0.130 nan 8.380 nan 0.000 0.511 208 P HA -0.238 nan 4.420 nan 0.000 0.218 208 P C 0.999 178.342 177.300 0.071 0.000 1.152 208 P CA 2.362 65.354 63.100 -0.180 0.000 0.857 208 P CB -0.114 31.499 31.700 -0.145 0.000 0.787 209 T N -5.629 108.912 114.554 -0.021 0.000 3.055 209 T HA 0.153 4.503 4.350 -0.000 0.000 0.265 209 T C 1.710 176.443 174.700 0.055 0.000 1.111 209 T CA 0.852 62.934 62.100 -0.030 0.000 1.118 209 T CB -1.122 67.816 68.868 0.117 0.000 0.909 209 T HN 0.257 nan 8.240 nan 0.000 0.501 210 G N 1.266 110.106 108.800 0.067 0.000 2.189 210 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.267 210 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.267 210 G C 0.067 175.000 174.900 0.056 0.000 0.975 210 G CA 0.353 45.483 45.100 0.052 0.000 0.644 210 G HN 0.671 nan 8.290 nan 0.000 0.537 211 I N 1.256 121.880 120.570 0.091 0.000 2.488 211 I HA 0.415 4.585 4.170 -0.000 0.000 0.299 211 I C 1.250 177.401 176.117 0.056 0.000 0.984 211 I CA -0.414 60.942 61.300 0.092 0.000 1.250 211 I CB 1.662 39.745 38.000 0.137 0.000 1.389 211 I HN 0.181 nan 8.210 nan 0.000 0.488 212 S N 3.087 118.817 115.700 0.049 0.000 2.558 212 S HA -0.006 4.464 4.470 -0.000 0.000 0.288 212 S C 0.898 175.520 174.600 0.036 0.000 1.318 212 S CA -0.063 58.163 58.200 0.045 0.000 1.056 212 S CB 0.441 63.667 63.200 0.043 0.000 0.853 212 S HN 0.730 nan 8.310 nan 0.000 0.505 213 S N 2.240 117.958 115.700 0.030 0.000 2.593 213 S HA 0.218 4.688 4.470 -0.000 0.000 0.236 213 S C 0.535 175.146 174.600 0.018 0.000 0.991 213 S CA -0.444 57.765 58.200 0.015 0.000 0.963 213 S CB 0.152 63.349 63.200 -0.006 0.000 0.865 213 S HN 0.710 nan 8.310 nan 0.000 0.488 214 D N 2.167 122.581 120.400 0.025 0.000 2.221 214 D HA -0.055 4.585 4.640 -0.000 0.000 0.204 214 D C 1.638 177.948 176.300 0.017 0.000 0.982 214 D CA 0.610 54.624 54.000 0.022 0.000 0.857 214 D CB -0.172 40.641 40.800 0.023 0.000 0.934 214 D HN 0.330 nan 8.370 nan 0.000 0.475 215 V N 0.067 119.989 119.914 0.015 0.000 3.217 215 V HA -0.104 4.016 4.120 -0.000 0.000 0.264 215 V C 0.386 176.482 176.094 0.004 0.000 1.135 215 V CA 0.990 63.297 62.300 0.010 0.000 1.142 215 V CB -0.019 31.811 31.823 0.012 0.000 0.754 215 V HN 0.063 nan 8.190 nan 0.000 0.484 216 D N 0.060 120.461 120.400 0.002 0.000 2.978 216 D HA 0.166 4.806 4.640 -0.000 0.000 0.268 216 D C -0.314 175.981 176.300 -0.008 0.000 1.252 216 D CA -0.289 53.705 54.000 -0.010 0.000 0.771 216 D CB 0.275 41.063 40.800 -0.019 0.000 1.361 216 D HN 0.015 nan 8.370 nan 0.000 0.558 217 K N 1.034 121.439 120.400 0.008 0.000 2.098 217 K HA 0.613 4.933 4.320 -0.000 0.000 0.258 217 K C 0.520 177.138 176.600 0.031 0.000 0.973 217 K CA -0.694 55.610 56.287 0.029 0.000 0.898 217 K CB 1.933 34.460 32.500 0.044 0.000 1.057 217 K HN 0.487 nan 8.250 nan 0.000 0.447 218 I N -1.624 118.984 120.570 0.064 0.000 2.892 218 I HA 0.535 4.705 4.170 -0.000 0.000 0.306 218 I C -2.675 173.561 176.117 0.198 0.000 1.078 218 I CA -3.048 58.302 61.300 0.084 0.000 1.032 218 I CB 2.195 40.154 38.000 -0.069 0.000 1.229 218 I HN 0.192 nan 8.210 nan 0.000 0.435 219 P HA 0.097 nan 4.420 nan 0.000 0.271 219 P C 0.014 177.510 177.300 0.328 0.000 1.218 219 P CA 0.008 63.253 63.100 0.241 0.000 0.780 219 P CB 0.492 32.291 31.700 0.164 0.000 0.901 220 F N 1.861 121.949 119.950 0.230 0.000 2.293 220 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 220 F C 2.221 178.152 175.800 0.217 0.000 1.086 220 F CA 1.283 59.475 58.000 0.320 0.000 1.375 220 F CB -0.504 38.672 39.000 0.293 0.000 1.045 220 F HN 0.432 nan 8.300 nan 0.000 0.516 221 H N 0.129 119.332 119.070 0.223 0.000 2.539 221 H HA -0.083 4.473 4.556 -0.000 0.000 0.292 221 H C -1.473 173.772 175.328 -0.139 0.000 1.069 221 H CA 1.688 57.773 56.048 0.061 0.000 1.244 221 H CB -0.486 29.363 29.762 0.145 0.000 1.365 221 H HN 0.279 nan 8.280 nan 0.000 0.575 222 P HA 0.067 nan 4.420 nan 0.000 0.333 222 P C 0.704 177.595 177.300 -0.682 0.000 1.030 222 P CA 0.260 62.795 63.100 -0.941 0.000 1.400 222 P CB 0.223 31.297 31.700 -1.042 0.000 1.145 223 Y N -0.544 119.493 120.300 -0.439 0.000 2.097 223 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 223 Y C 2.035 177.468 175.900 -0.778 0.000 1.152 223 Y CA 1.524 59.249 58.100 -0.624 0.000 1.136 223 Y CB -1.622 36.367 38.460 -0.786 0.000 0.975 223 Y HN -0.054 nan 8.280 nan 0.000 0.498 224 Y N -0.647 119.429 120.300 -0.374 0.000 2.478 224 Y HA 0.021 4.571 4.550 -0.000 0.000 0.261 224 Y C 2.349 177.853 175.900 -0.659 0.000 1.127 224 Y CA 0.478 58.171 58.100 -0.679 0.000 1.288 224 Y CB -0.995 36.786 38.460 -1.132 0.000 1.084 224 Y HN 0.190 nan 8.280 nan 0.000 0.530 225 T N -1.399 112.967 114.554 -0.314 0.000 2.732 225 T HA -0.183 4.167 4.350 -0.000 0.000 0.261 225 T C 1.977 176.678 174.700 0.002 0.000 1.040 225 T CA 1.259 63.375 62.100 0.025 0.000 1.145 225 T CB -0.656 68.371 68.868 0.266 0.000 0.866 225 T HN 0.316 nan 8.240 nan 0.000 0.427 226 I N 1.360 121.894 120.570 -0.059 0.000 2.394 226 I HA -0.063 4.107 4.170 -0.000 0.000 0.251 226 I C 2.635 178.729 176.117 -0.038 0.000 1.136 226 I CA 1.286 62.555 61.300 -0.051 0.000 1.425 226 I CB -0.140 37.809 38.000 -0.085 0.000 1.079 226 I HN 0.192 nan 8.210 nan 0.000 0.425 227 K N 0.341 120.717 120.400 -0.040 0.000 2.148 227 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 227 K C 1.486 178.101 176.600 0.025 0.000 1.050 227 K CA 1.749 58.041 56.287 0.008 0.000 0.942 227 K CB -0.004 32.540 32.500 0.072 0.000 0.724 227 K HN 0.259 nan 8.250 nan 0.000 0.446 228 D N 0.632 121.057 120.400 0.042 0.000 2.194 228 D HA -0.050 4.590 4.640 -0.000 0.000 0.204 228 D C 1.814 178.121 176.300 0.012 0.000 0.964 228 D CA 0.758 54.788 54.000 0.051 0.000 0.846 228 D CB 0.065 40.939 40.800 0.123 0.000 0.962 228 D HN 0.240 nan 8.370 nan 0.000 0.490 229 I N 0.424 120.999 120.570 0.009 0.000 2.113 229 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 229 I C 2.321 178.426 176.117 -0.019 0.000 1.070 229 I CA 0.647 61.943 61.300 -0.007 0.000 1.332 229 I CB -0.186 37.811 38.000 -0.006 0.000 1.044 229 I HN 0.042 nan 8.210 nan 0.000 0.402 230 L N 1.351 122.561 121.223 -0.022 0.000 2.081 230 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 230 L C 2.209 179.056 176.870 -0.039 0.000 1.080 230 L CA 2.352 57.175 54.840 -0.028 0.000 0.754 230 L CB -1.212 40.831 42.059 -0.028 0.000 0.893 230 L HN 0.211 nan 8.230 nan 0.000 0.433 231 G N -1.520 107.250 108.800 -0.050 0.000 2.421 231 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 231 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 231 G C 1.553 176.405 174.900 -0.081 0.000 1.143 231 G CA 0.597 45.645 45.100 -0.087 0.000 0.784 231 G HN 0.644 nan 8.290 nan 0.000 0.541 232 A N 0.339 123.126 122.820 -0.056 0.000 1.968 232 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 232 A C 2.263 179.825 177.584 -0.036 0.000 1.169 232 A CA 1.303 53.310 52.037 -0.049 0.000 0.638 232 A CB -0.305 18.670 19.000 -0.041 0.000 0.812 232 A HN 0.374 nan 8.150 nan 0.000 0.446 233 L N -0.352 120.853 121.223 -0.031 0.000 2.083 233 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 233 L C 2.138 179.000 176.870 -0.013 0.000 1.083 233 L CA 1.512 56.340 54.840 -0.020 0.000 0.752 233 L CB -0.372 41.676 42.059 -0.019 0.000 0.899 233 L HN 0.388 nan 8.230 nan 0.000 0.433 234 L N -1.503 119.706 121.223 -0.023 0.000 2.217 234 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 234 L C 2.310 179.182 176.870 0.003 0.000 1.107 234 L CA 0.638 55.469 54.840 -0.014 0.000 0.783 234 L CB -0.378 41.661 42.059 -0.034 0.000 0.919 234 L HN 0.331 nan 8.230 nan 0.000 0.442 235 L N -0.620 120.599 121.223 -0.008 0.000 2.156 235 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 235 L C 2.289 179.172 176.870 0.022 0.000 1.095 235 L CA 1.346 56.195 54.840 0.014 0.000 0.770 235 L CB -0.152 41.902 42.059 -0.008 0.000 0.914 235 L HN 0.047 nan 8.230 nan 0.000 0.439 236 I N -0.741 119.833 120.570 0.008 0.000 2.202 236 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 236 I C 2.417 178.553 176.117 0.031 0.000 1.091 236 I CA 1.078 62.385 61.300 0.012 0.000 1.368 236 I CB -1.357 36.640 38.000 -0.004 0.000 1.058 236 I HN 0.313 nan 8.210 nan 0.000 0.410 237 L N 1.569 122.812 121.223 0.033 0.000 1.971 237 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 237 L C 2.632 179.545 176.870 0.072 0.000 1.072 237 L CA 2.498 57.369 54.840 0.052 0.000 0.758 237 L CB -1.184 40.902 42.059 0.045 0.000 0.889 237 L HN 0.230 nan 8.230 nan 0.000 0.433 238 A N -0.709 122.153 122.820 0.070 0.000 1.873 238 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 238 A C 2.303 179.945 177.584 0.097 0.000 1.193 238 A CA 2.309 54.398 52.037 0.086 0.000 0.629 238 A CB -1.249 17.806 19.000 0.092 0.000 0.826 238 A HN 0.550 nan 8.150 nan 0.000 0.447 239 L N -0.900 120.376 121.223 0.089 0.000 1.970 239 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 239 L C 2.442 179.369 176.870 0.096 0.000 1.071 239 L CA 2.367 57.265 54.840 0.096 0.000 0.751 239 L CB -0.450 41.654 42.059 0.075 0.000 0.889 239 L HN 0.349 nan 8.230 nan 0.000 0.432 240 M N -1.342 118.303 119.600 0.075 0.000 2.213 240 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 240 M C 2.298 178.647 176.300 0.081 0.000 1.062 240 M CA 1.370 56.708 55.300 0.062 0.000 1.105 240 M CB -1.275 31.345 32.600 0.033 0.000 1.385 240 M HN 0.330 nan 8.290 nan 0.000 0.417 241 L N 0.123 121.429 121.223 0.138 0.000 2.046 241 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 241 L C 2.267 179.275 176.870 0.231 0.000 1.077 241 L CA 1.473 56.461 54.840 0.247 0.000 0.747 241 L CB -0.980 41.199 42.059 0.199 0.000 0.896 241 L HN 0.145 nan 8.230 nan 0.000 0.432 242 L N -1.193 120.124 121.223 0.157 0.000 1.961 242 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 242 L C 2.649 179.597 176.870 0.131 0.000 1.072 242 L CA 2.080 57.004 54.840 0.139 0.000 0.749 242 L CB -0.950 41.186 42.059 0.129 0.000 0.889 242 L HN 0.277 nan 8.230 nan 0.000 0.432 243 V N -1.126 118.867 119.914 0.132 0.000 2.490 243 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 243 V C 1.882 178.053 176.094 0.129 0.000 1.061 243 V CA 1.765 64.157 62.300 0.155 0.000 1.064 243 V CB -0.357 31.608 31.823 0.237 0.000 0.670 243 V HN 0.414 nan 8.190 nan 0.000 0.461 244 L N -1.740 119.495 121.223 0.019 0.000 2.592 244 L HA 0.332 4.672 4.340 -0.000 0.000 0.227 244 L C 1.476 178.111 176.870 -0.392 0.000 1.127 244 L CA 0.318 55.063 54.840 -0.158 0.000 0.884 244 L CB -0.043 41.831 42.059 -0.307 0.000 1.065 244 L HN 0.332 nan 8.230 nan 0.000 0.457 245 F N -0.624 119.364 119.950 0.064 0.000 2.767 245 F HA 0.375 4.902 4.527 -0.000 0.000 0.329 245 F C 0.932 176.735 175.800 0.004 0.000 0.912 245 F CA -0.371 57.647 58.000 0.029 0.000 1.115 245 F CB 0.431 39.449 39.000 0.030 0.000 0.936 245 F HN -0.177 nan 8.300 nan 0.000 0.624 246 A N 0.384 123.310 122.820 0.177 0.000 3.409 246 A HA 0.551 4.871 4.320 -0.000 0.000 0.282 246 A C -2.296 175.306 177.584 0.031 0.000 1.064 246 A CA -0.671 51.416 52.037 0.084 0.000 0.889 246 A CB -0.229 18.823 19.000 0.086 0.000 1.251 246 A HN -0.025 nan 8.150 nan 0.000 0.538 247 P HA 0.016 nan 4.420 nan 0.000 0.233 247 P C 0.295 177.537 177.300 -0.098 0.000 1.167 247 P CA 1.081 64.090 63.100 -0.151 0.000 0.770 247 P CB 0.376 31.751 31.700 -0.542 0.000 0.837 248 D N -1.848 118.529 120.400 -0.038 0.000 2.469 248 D HA 0.095 4.735 4.640 -0.000 0.000 0.213 248 D C 1.623 177.964 176.300 0.068 0.000 1.135 248 D CA -0.167 53.860 54.000 0.045 0.000 0.834 248 D CB 0.143 40.958 40.800 0.025 0.000 1.009 248 D HN 0.038 nan 8.370 nan 0.000 0.507 249 L N 0.906 122.157 121.223 0.046 0.000 2.021 249 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 249 L C 1.909 178.808 176.870 0.049 0.000 1.074 249 L CA 1.663 56.527 54.840 0.040 0.000 0.760 249 L CB -0.147 41.929 42.059 0.029 0.000 0.889 249 L HN 0.022 nan 8.230 nan 0.000 0.433 250 L N -1.112 120.154 121.223 0.073 0.000 2.592 250 L HA 0.255 4.595 4.340 -0.000 0.000 0.227 250 L C 1.021 177.999 176.870 0.180 0.000 1.127 250 L CA -0.059 54.836 54.840 0.091 0.000 0.884 250 L CB -0.709 41.411 42.059 0.102 0.000 1.065 250 L HN 0.288 nan 8.230 nan 0.000 0.457 251 G N -0.902 108.002 108.800 0.173 0.000 2.434 251 G HA2 0.252 4.212 3.960 -0.000 0.000 0.330 251 G HA3 0.252 4.212 3.960 -0.000 0.000 0.330 251 G C -1.379 173.642 174.900 0.202 0.000 1.155 251 G CA -0.260 44.970 45.100 0.216 0.000 0.917 251 G HN -0.099 nan 8.290 nan 0.000 0.493 252 D N 0.899 121.441 120.400 0.235 0.000 2.359 252 D HA 0.354 4.994 4.640 -0.000 0.000 0.230 252 D C -2.152 174.284 176.300 0.226 0.000 1.118 252 D CA -1.942 52.168 54.000 0.183 0.000 0.844 252 D CB 1.635 42.528 40.800 0.154 0.000 1.059 252 D HN -0.068 nan 8.370 nan 0.000 0.493 253 P HA 0.241 nan 4.420 nan 0.000 0.256 253 P C -0.528 176.853 177.300 0.135 0.000 1.688 253 P CA 0.191 63.391 63.100 0.167 0.000 1.162 253 P CB 0.615 32.343 31.700 0.048 0.000 1.870 254 D N 1.162 121.691 120.400 0.216 0.000 1.999 254 D HA -0.090 4.550 4.640 -0.000 0.000 0.758 254 D C 0.951 177.362 176.300 0.185 0.000 0.564 254 D CA 0.118 54.198 54.000 0.133 0.000 1.286 254 D CB -1.027 39.764 40.800 -0.016 0.000 1.248 254 D HN -0.022 nan 8.370 nan 0.000 0.365 255 N N -0.517 118.312 118.700 0.214 0.000 2.461 255 N HA 0.042 4.782 4.740 -0.000 0.000 0.188 255 N C 0.720 176.313 175.510 0.138 0.000 1.134 255 N CA 0.693 53.819 53.050 0.127 0.000 0.878 255 N CB -0.088 38.436 38.487 0.062 0.000 0.972 255 N HN 0.221 nan 8.380 nan 0.000 0.456 256 Y N -0.811 119.630 120.300 0.234 0.000 2.500 256 Y HA 0.124 4.674 4.550 -0.000 0.000 0.270 256 Y C 0.777 176.909 175.900 0.388 0.000 1.134 256 Y CA 0.323 58.640 58.100 0.362 0.000 1.293 256 Y CB 0.231 38.828 38.460 0.229 0.000 1.063 256 Y HN -0.004 nan 8.280 nan 0.000 0.534 257 T N -0.592 114.148 114.554 0.311 0.000 2.744 257 T HA 0.377 4.727 4.350 -0.000 0.000 0.291 257 T C -2.814 171.872 174.700 -0.024 0.000 0.957 257 T CA -2.722 59.425 62.100 0.079 0.000 1.002 257 T CB 1.527 70.430 68.868 0.060 0.000 0.919 257 T HN -0.229 nan 8.240 nan 0.000 0.468 258 P HA 0.176 nan 4.420 nan 0.000 0.264 258 P C 0.063 177.242 177.300 -0.202 0.000 1.179 258 P CA -0.012 62.872 63.100 -0.359 0.000 0.763 258 P CB 0.135 31.531 31.700 -0.506 0.000 0.806 259 A N 3.057 125.711 122.820 -0.277 0.000 2.565 259 A HA 0.068 4.388 4.320 -0.000 0.000 0.237 259 A C 0.543 177.850 177.584 -0.461 0.000 1.053 259 A CA 0.660 52.367 52.037 -0.549 0.000 0.755 259 A CB -0.591 17.628 19.000 -1.301 0.000 0.980 259 A HN 0.575 nan 8.150 nan 0.000 0.506 260 N N 2.637 121.074 118.700 -0.437 0.000 2.581 260 N HA 0.334 5.074 4.740 -0.000 0.000 0.279 260 N C -2.657 172.665 175.510 -0.314 0.000 1.124 260 N CA -1.580 51.302 53.050 -0.280 0.000 0.833 260 N CB 1.906 40.357 38.487 -0.059 0.000 1.338 260 N HN 0.134 nan 8.380 nan 0.000 0.533 261 P HA 0.039 nan 4.420 nan 0.000 0.236 261 P C 0.757 178.114 177.300 0.096 0.000 1.172 261 P CA 0.859 63.660 63.100 -0.498 0.000 0.759 261 P CB 0.332 31.755 31.700 -0.461 0.000 0.843 262 L N -3.265 118.048 121.223 0.150 0.000 2.642 262 L HA 0.248 4.588 4.340 -0.000 0.000 0.233 262 L C 0.823 177.831 176.870 0.230 0.000 1.077 262 L CA -0.021 54.932 54.840 0.187 0.000 0.879 262 L CB -0.244 41.858 42.059 0.071 0.000 1.151 262 L HN -0.176 nan 8.230 nan 0.000 0.495 263 N N 1.418 120.279 118.700 0.268 0.000 2.500 263 N HA 0.138 4.878 4.740 -0.000 0.000 0.236 263 N C -0.825 174.730 175.510 0.075 0.000 1.022 263 N CA -0.045 53.099 53.050 0.157 0.000 0.935 263 N CB 0.753 39.304 38.487 0.107 0.000 1.147 263 N HN -0.034 nan 8.380 nan 0.000 0.512 264 T N 3.700 118.069 114.554 -0.310 0.000 2.733 264 T HA 0.393 4.743 4.350 -0.000 0.000 0.294 264 T C -2.384 172.022 174.700 -0.491 0.000 0.956 264 T CA -1.430 60.114 62.100 -0.927 0.000 0.987 264 T CB 1.110 69.498 68.868 -0.801 0.000 0.920 264 T HN 0.339 nan 8.240 nan 0.000 0.470 265 P HA 0.224 nan 4.420 nan 0.000 0.271 265 P C -1.823 175.405 177.300 -0.120 0.000 1.218 265 P CA -1.520 61.481 63.100 -0.165 0.000 0.780 265 P CB 0.162 31.820 31.700 -0.069 0.000 0.901 266 P HA -0.182 nan 4.420 nan 0.000 0.218 266 P C 1.342 178.658 177.300 0.026 0.000 1.149 266 P CA 1.356 64.448 63.100 -0.014 0.000 0.817 266 P CB -0.194 31.513 31.700 0.011 0.000 0.785 267 H N 0.276 119.330 119.070 -0.027 0.000 3.199 267 H HA -0.078 4.478 4.556 -0.000 0.000 0.301 267 H C 0.704 176.038 175.328 0.009 0.000 1.003 267 H CA 1.663 57.714 56.048 0.006 0.000 1.011 267 H CB -0.783 28.995 29.762 0.026 0.000 1.610 267 H HN -0.125 nan 8.280 nan 0.000 0.910 268 I N 1.515 122.233 120.570 0.245 0.000 7.706 268 I HA -0.309 3.861 4.170 -0.000 0.000 0.126 268 I C -0.328 175.848 176.117 0.098 0.000 1.832 268 I CA 0.491 61.873 61.300 0.136 0.000 2.069 268 I CB -0.903 37.129 38.000 0.052 0.000 3.675 268 I HN 0.471 nan 8.210 nan 0.000 0.179 269 K N 4.790 125.230 120.400 0.068 0.000 2.536 269 K HA 0.855 5.175 4.320 -0.000 0.000 0.269 269 K C -3.097 173.391 176.600 -0.188 0.000 0.965 269 K CA -1.771 54.437 56.287 -0.133 0.000 0.860 269 K CB 2.370 34.908 32.500 0.064 0.000 1.423 269 K HN -0.102 nan 8.250 nan 0.000 0.438 270 P HA 0.096 nan 4.420 nan 0.000 0.293 270 P C -0.694 176.458 177.300 -0.248 0.000 1.298 270 P CA -0.413 62.512 63.100 -0.292 0.000 0.757 270 P CB 0.337 31.849 31.700 -0.312 0.000 1.262 271 E N 0.282 120.236 120.200 -0.410 0.000 2.373 271 E HA -0.014 4.336 4.350 -0.000 0.000 0.263 271 E C 1.471 177.686 176.600 -0.643 0.000 1.073 271 E CA -0.185 55.810 56.400 -0.675 0.000 0.894 271 E CB 0.098 29.065 29.700 -1.222 0.000 1.008 271 E HN 0.618 nan 8.360 nan 0.000 0.420 272 W N 4.219 125.237 121.300 -0.470 0.000 2.313 272 W HA -0.300 4.360 4.660 -0.000 0.000 0.293 272 W C 1.243 177.672 176.519 -0.151 0.000 1.216 272 W CA 1.293 58.510 57.345 -0.214 0.000 1.223 272 W CB -1.192 28.230 29.460 -0.064 0.000 1.138 272 W HN 0.620 nan 8.180 nan 0.000 0.535 273 Y N -1.842 117.790 120.300 -1.112 0.000 2.639 273 Y HA 0.076 4.626 4.550 -0.000 0.000 0.297 273 Y C 1.419 176.950 175.900 -0.615 0.000 1.151 273 Y CA 0.699 58.138 58.100 -1.102 0.000 1.335 273 Y CB -1.694 35.583 38.460 -1.972 0.000 0.994 273 Y HN -0.161 nan 8.280 nan 0.000 0.548 274 F N -0.745 119.058 119.950 -0.247 0.000 2.682 274 F HA 0.272 4.799 4.527 -0.000 0.000 0.308 274 F C 1.627 177.311 175.800 -0.194 0.000 1.093 274 F CA -0.526 57.347 58.000 -0.211 0.000 1.244 274 F CB -0.090 38.733 39.000 -0.295 0.000 1.052 274 F HN -0.019 nan 8.300 nan 0.000 0.573 275 L N 0.043 121.334 121.223 0.114 0.000 2.081 275 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 275 L C 2.624 179.571 176.870 0.128 0.000 1.080 275 L CA 1.754 56.694 54.840 0.167 0.000 0.754 275 L CB -0.845 41.334 42.059 0.199 0.000 0.893 275 L HN 0.307 nan 8.230 nan 0.000 0.433 276 F N -0.027 119.940 119.950 0.028 0.000 2.146 276 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 276 F C 2.411 178.162 175.800 -0.083 0.000 1.096 276 F CA 0.842 58.804 58.000 -0.063 0.000 1.275 276 F CB -1.049 37.863 39.000 -0.147 0.000 1.008 276 F HN -0.083 nan 8.300 nan 0.000 0.480 277 A N -0.275 121.828 122.820 -1.196 0.000 1.929 277 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 277 A C 2.167 179.591 177.584 -0.267 0.000 1.176 277 A CA 1.195 52.745 52.037 -0.812 0.000 0.628 277 A CB -1.598 16.914 19.000 -0.813 0.000 0.816 277 A HN 0.579 nan 8.150 nan 0.000 0.444 278 Y N 0.940 121.062 120.300 -0.298 0.000 2.181 278 Y HA -0.121 4.429 4.550 -0.000 0.000 0.288 278 Y C 2.628 178.443 175.900 -0.142 0.000 1.146 278 Y CA 0.957 58.951 58.100 -0.177 0.000 1.164 278 Y CB -0.793 37.589 38.460 -0.131 0.000 0.982 278 Y HN 0.302 nan 8.280 nan 0.000 0.515 279 A N 0.228 122.945 122.820 -0.172 0.000 1.902 279 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 279 A C 2.414 179.892 177.584 -0.177 0.000 1.181 279 A CA 1.819 53.714 52.037 -0.236 0.000 0.623 279 A CB -1.075 17.841 19.000 -0.140 0.000 0.818 279 A HN 0.528 nan 8.150 nan 0.000 0.443 280 I N -0.689 119.801 120.570 -0.133 0.000 2.226 280 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 280 I C 2.472 178.560 176.117 -0.047 0.000 1.100 280 I CA 1.281 62.547 61.300 -0.058 0.000 1.374 280 I CB -0.321 37.654 38.000 -0.041 0.000 1.057 280 I HN 0.465 nan 8.210 nan 0.000 0.413 281 L N 2.197 123.372 121.223 -0.079 0.000 1.955 281 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 281 L C 2.686 179.500 176.870 -0.094 0.000 1.072 281 L CA 1.994 56.798 54.840 -0.060 0.000 0.755 281 L CB -0.747 41.295 42.059 -0.029 0.000 0.888 281 L HN 0.242 nan 8.230 nan 0.000 0.432 282 R N -0.908 119.480 120.500 -0.187 0.000 2.339 282 R HA 0.048 4.388 4.340 -0.000 0.000 0.199 282 R C 1.510 177.727 176.300 -0.138 0.000 1.018 282 R CA 0.961 56.948 56.100 -0.189 0.000 1.036 282 R CB -0.864 29.250 30.300 -0.311 0.000 0.899 282 R HN 0.394 nan 8.270 nan 0.000 0.473 283 S N 0.956 116.589 115.700 -0.112 0.000 2.515 283 S HA 0.153 4.623 4.470 -0.000 0.000 0.231 283 S C 0.813 175.387 174.600 -0.044 0.000 0.987 283 S CA 0.337 58.495 58.200 -0.070 0.000 0.936 283 S CB -0.034 63.143 63.200 -0.039 0.000 0.766 283 S HN 0.268 nan 8.310 nan 0.000 0.528 284 I N 2.580 123.123 120.570 -0.045 0.000 2.339 284 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 284 I C -2.619 173.477 176.117 -0.035 0.000 0.994 284 I CA -2.422 58.858 61.300 -0.034 0.000 1.191 284 I CB 1.622 39.603 38.000 -0.032 0.000 1.343 284 I HN -0.186 nan 8.210 nan 0.000 0.458 285 P HA 0.167 nan 4.420 nan 0.000 0.228 285 P C -0.667 176.620 177.300 -0.021 0.000 1.748 285 P CA 0.202 63.288 63.100 -0.024 0.000 0.909 285 P CB -0.169 31.519 31.700 -0.020 0.000 1.882 286 N N 0.570 119.257 118.700 -0.022 0.000 2.446 286 N HA 0.066 4.806 4.740 -0.000 0.000 0.272 286 N C 0.290 175.791 175.510 -0.016 0.000 1.127 286 N CA -0.420 52.619 53.050 -0.019 0.000 0.896 286 N CB 1.932 40.405 38.487 -0.024 0.000 1.658 286 N HN -0.179 nan 8.380 nan 0.000 0.483 287 K N 1.685 122.080 120.400 -0.009 0.000 2.007 287 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 287 K C 1.693 178.289 176.600 -0.008 0.000 1.047 287 K CA 0.977 57.262 56.287 -0.003 0.000 0.937 287 K CB 0.011 32.514 32.500 0.004 0.000 0.718 287 K HN 0.434 nan 8.250 nan 0.000 0.438 288 L N 0.761 121.977 121.223 -0.011 0.000 2.023 288 L HA 0.027 4.367 4.340 -0.000 0.000 0.205 288 L C 2.217 179.073 176.870 -0.024 0.000 1.073 288 L CA 2.241 57.072 54.840 -0.015 0.000 0.745 288 L CB -1.018 41.032 42.059 -0.015 0.000 0.900 288 L HN 0.294 nan 8.230 nan 0.000 0.435 289 G N -1.163 107.618 108.800 -0.033 0.000 2.432 289 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 289 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 289 G C 1.491 176.367 174.900 -0.039 0.000 1.135 289 G CA 0.601 45.672 45.100 -0.048 0.000 0.767 289 G HN 0.604 nan 8.290 nan 0.000 0.550 290 G N -0.010 108.774 108.800 -0.027 0.000 2.402 290 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 290 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 290 G C 1.693 176.588 174.900 -0.009 0.000 1.162 290 G CA 1.088 46.176 45.100 -0.020 0.000 0.777 290 G HN 0.378 nan 8.290 nan 0.000 0.539 291 V N -0.151 119.758 119.914 -0.008 0.000 2.951 291 V HA 0.133 4.253 4.120 -0.000 0.000 0.255 291 V C 2.551 178.653 176.094 0.013 0.000 1.088 291 V CA 0.856 63.155 62.300 -0.002 0.000 1.109 291 V CB 0.084 31.901 31.823 -0.009 0.000 0.724 291 V HN 0.242 nan 8.190 nan 0.000 0.471 292 L N 0.557 121.781 121.223 0.001 0.000 2.072 292 L HA 0.176 4.516 4.340 -0.000 0.000 0.205 292 L C 2.497 179.387 176.870 0.034 0.000 1.079 292 L CA 2.298 57.140 54.840 0.003 0.000 0.752 292 L CB -0.885 41.147 42.059 -0.045 0.000 0.906 292 L HN 0.318 nan 8.230 nan 0.000 0.436 293 A N -1.351 121.475 122.820 0.011 0.000 2.067 293 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 293 A C 2.145 179.841 177.584 0.185 0.000 1.156 293 A CA 1.163 53.235 52.037 0.058 0.000 0.683 293 A CB -0.635 18.353 19.000 -0.020 0.000 0.808 293 A HN 0.409 nan 8.150 nan 0.000 0.455 294 L N -0.268 121.016 121.223 0.102 0.000 2.027 294 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 294 L C 2.575 179.511 176.870 0.110 0.000 1.074 294 L CA 2.200 57.081 54.840 0.069 0.000 0.745 294 L CB -0.632 41.430 42.059 0.006 0.000 0.898 294 L HN 0.274 nan 8.230 nan 0.000 0.433 295 A N -0.617 122.273 122.820 0.118 0.000 1.865 295 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 295 A C 2.319 180.037 177.584 0.224 0.000 1.191 295 A CA 1.994 54.112 52.037 0.136 0.000 0.623 295 A CB -1.423 17.648 19.000 0.118 0.000 0.826 295 A HN 0.571 nan 8.150 nan 0.000 0.444 296 F N 1.603 121.633 119.950 0.132 0.000 2.307 296 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 296 F C 2.640 178.700 175.800 0.433 0.000 1.076 296 F CA 1.616 59.742 58.000 0.212 0.000 1.383 296 F CB 0.081 39.137 39.000 0.094 0.000 1.055 296 F HN 0.356 nan 8.300 nan 0.000 0.526 297 S N -0.777 115.237 115.700 0.523 0.000 2.481 297 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 297 S C 1.765 176.544 174.600 0.299 0.000 0.996 297 S CA 0.698 59.171 58.200 0.455 0.000 0.942 297 S CB -0.290 63.031 63.200 0.201 0.000 0.768 297 S HN 0.308 nan 8.310 nan 0.000 0.520 298 I N 0.905 121.596 120.570 0.201 0.000 3.194 298 I HA 0.332 4.502 4.170 -0.000 0.000 0.271 298 I C 1.886 178.040 176.117 0.063 0.000 1.150 298 I CA 0.344 61.739 61.300 0.159 0.000 1.440 298 I CB -0.767 37.327 38.000 0.157 0.000 1.276 298 I HN 0.294 nan 8.210 nan 0.000 0.457 299 L N 0.542 121.775 121.223 0.018 0.000 2.549 299 L HA -0.088 4.252 4.340 -0.000 0.000 0.229 299 L C 2.302 179.075 176.870 -0.162 0.000 1.158 299 L CA 0.646 55.459 54.840 -0.044 0.000 0.842 299 L CB -0.243 41.814 42.059 -0.004 0.000 0.952 299 L HN 0.193 nan 8.230 nan 0.000 0.452 300 I N -0.125 120.297 120.570 -0.248 0.000 2.614 300 I HA -0.257 3.913 4.170 -0.000 0.000 0.258 300 I C 2.138 178.193 176.117 -0.104 0.000 1.189 300 I CA 0.942 62.044 61.300 -0.330 0.000 1.462 300 I CB 0.164 37.988 38.000 -0.294 0.000 1.092 300 I HN 0.226 nan 8.210 nan 0.000 0.442 301 L N 0.591 121.815 121.223 0.001 0.000 2.265 301 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 301 L C 2.522 179.574 176.870 0.304 0.000 1.117 301 L CA 1.024 55.964 54.840 0.165 0.000 0.782 301 L CB -0.761 41.341 42.059 0.072 0.000 0.914 301 L HN 0.311 nan 8.230 nan 0.000 0.441 302 A N -0.690 122.210 122.820 0.132 0.000 2.169 302 A HA 0.064 4.384 4.320 -0.000 0.000 0.212 302 A C 2.121 179.760 177.584 0.092 0.000 1.153 302 A CA 0.574 52.705 52.037 0.157 0.000 0.756 302 A CB -0.146 18.901 19.000 0.079 0.000 0.813 302 A HN 0.364 nan 8.150 nan 0.000 0.471 303 L N -0.852 120.382 121.223 0.018 0.000 2.416 303 L HA 0.083 4.423 4.340 -0.000 0.000 0.216 303 L C 2.080 178.913 176.870 -0.062 0.000 1.098 303 L CA 0.281 55.114 54.840 -0.012 0.000 0.840 303 L CB -0.374 41.671 42.059 -0.023 0.000 0.981 303 L HN 0.352 nan 8.230 nan 0.000 0.462 304 I N 1.293 121.796 120.570 -0.110 0.000 2.091 304 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 304 I C -0.340 175.533 176.117 -0.406 0.000 1.046 304 I CA 1.969 63.080 61.300 -0.314 0.000 1.306 304 I CB -1.538 36.195 38.000 -0.446 0.000 1.018 304 I HN 0.200 nan 8.210 nan 0.000 0.404 305 P HA -0.158 nan 4.420 nan 0.000 0.218 305 P C 1.620 178.901 177.300 -0.030 0.000 1.146 305 P CA 1.418 64.437 63.100 -0.135 0.000 0.813 305 P CB -0.064 31.594 31.700 -0.070 0.000 0.778 306 L N -2.301 118.898 121.223 -0.040 0.000 2.492 306 L HA 0.025 4.365 4.340 -0.000 0.000 0.223 306 L C 1.643 178.509 176.870 -0.006 0.000 1.132 306 L CA 0.610 55.447 54.840 -0.005 0.000 0.850 306 L CB -0.475 41.587 42.059 0.005 0.000 0.966 306 L HN -0.021 nan 8.230 nan 0.000 0.454 307 L N -1.677 119.524 121.223 -0.036 0.000 2.769 307 L HA 0.163 4.503 4.340 -0.000 0.000 0.240 307 L C 0.455 177.299 176.870 -0.043 0.000 1.163 307 L CA -0.350 54.462 54.840 -0.046 0.000 0.962 307 L CB -0.299 41.714 42.059 -0.078 0.000 1.258 307 L HN 0.121 nan 8.230 nan 0.000 0.513 308 H N -0.570 118.457 119.070 -0.072 0.000 2.803 308 H HA 0.082 4.638 4.556 -0.000 0.000 0.330 308 H C 0.823 176.127 175.328 -0.039 0.000 1.057 308 H CA 0.802 56.836 56.048 -0.023 0.000 1.458 308 H CB 1.166 30.972 29.762 0.074 0.000 1.470 308 H HN -0.110 nan 8.280 nan 0.000 0.560 309 T N 2.058 116.409 114.554 -0.338 0.000 2.993 309 T HA 0.083 4.433 4.350 -0.000 0.000 0.260 309 T C 0.275 174.853 174.700 -0.203 0.000 0.939 309 T CA 0.265 62.260 62.100 -0.176 0.000 0.886 309 T CB 0.009 68.794 68.868 -0.139 0.000 1.209 309 T HN 0.589 nan 8.240 nan 0.000 0.518 310 S N 0.886 116.343 115.700 -0.405 0.000 2.576 310 S HA 0.260 4.730 4.470 -0.000 0.000 0.276 310 S C 1.128 175.669 174.600 -0.098 0.000 1.339 310 S CA -0.224 57.835 58.200 -0.235 0.000 1.039 310 S CB 0.838 63.876 63.200 -0.270 0.000 0.902 310 S HN 0.323 nan 8.310 nan 0.000 0.516 311 K N 1.635 121.937 120.400 -0.164 0.000 2.366 311 K HA 0.061 4.381 4.320 -0.000 0.000 0.198 311 K C 0.492 176.923 176.600 -0.282 0.000 1.044 311 K CA 0.602 56.670 56.287 -0.364 0.000 0.973 311 K CB 0.078 32.053 32.500 -0.875 0.000 0.767 311 K HN 0.644 nan 8.250 nan 0.000 0.475 312 Q N -0.276 119.489 119.800 -0.057 0.000 2.215 312 Q HA 0.235 4.575 4.340 -0.000 0.000 0.256 312 Q C 0.675 176.733 176.000 0.096 0.000 0.972 312 Q CA -0.351 55.489 55.803 0.063 0.000 0.889 312 Q CB 1.944 30.805 28.738 0.204 0.000 1.281 312 Q HN -0.008 nan 8.270 nan 0.000 0.456 313 R N 0.364 120.887 120.500 0.038 0.000 2.075 313 R HA 0.078 4.418 4.340 -0.000 0.000 0.220 313 R C 0.890 177.157 176.300 -0.055 0.000 1.118 313 R CA 0.578 56.640 56.100 -0.063 0.000 0.986 313 R CB 0.286 30.491 30.300 -0.158 0.000 0.884 313 R HN 0.561 nan 8.270 nan 0.000 0.439 314 S N -0.920 114.765 115.700 -0.025 0.000 2.713 314 S HA 0.195 4.665 4.470 -0.000 0.000 0.277 314 S C 0.863 175.337 174.600 -0.210 0.000 1.168 314 S CA -0.585 57.575 58.200 -0.067 0.000 0.994 314 S CB 1.126 64.362 63.200 0.060 0.000 1.054 314 S HN 0.268 nan 8.310 nan 0.000 0.555 315 M N 1.368 120.684 119.600 -0.474 0.000 2.382 315 M HA 0.167 4.647 4.480 -0.000 0.000 0.247 315 M C 1.759 177.813 176.300 -0.411 0.000 1.104 315 M CA 0.022 54.928 55.300 -0.657 0.000 1.030 315 M CB -0.096 31.649 32.600 -1.425 0.000 1.424 315 M HN 0.837 nan 8.290 nan 0.000 0.486 316 M N 0.599 120.039 119.600 -0.267 0.000 2.116 316 M HA -0.251 4.229 4.480 -0.000 0.000 0.255 316 M C 0.489 176.613 176.300 -0.293 0.000 1.075 316 M CA 2.257 57.400 55.300 -0.261 0.000 1.087 316 M CB -0.002 32.281 32.600 -0.528 0.000 1.340 316 M HN 0.201 nan 8.290 nan 0.000 0.402 317 F N 0.490 120.470 119.950 0.050 0.000 2.664 317 F HA 0.254 4.781 4.527 -0.000 0.000 0.303 317 F C 0.213 176.024 175.800 0.019 0.000 1.092 317 F CA -0.268 57.761 58.000 0.047 0.000 1.305 317 F CB -0.140 38.898 39.000 0.063 0.000 1.054 317 F HN 0.124 nan 8.300 nan 0.000 0.565 318 R N -0.085 120.457 120.500 0.070 0.000 2.312 318 R HA 0.389 4.729 4.340 -0.000 0.000 0.310 318 R C -2.638 173.657 176.300 -0.009 0.000 1.064 318 R CA -1.647 54.468 56.100 0.026 0.000 0.983 318 R CB 0.703 31.002 30.300 -0.001 0.000 1.139 318 R HN -0.091 nan 8.270 nan 0.000 0.536 319 P HA -0.175 nan 4.420 nan 0.000 0.215 319 P C 1.314 178.640 177.300 0.045 0.000 1.157 319 P CA 0.654 63.788 63.100 0.056 0.000 0.863 319 P CB 0.266 32.006 31.700 0.066 0.000 0.787 320 L N -0.767 120.473 121.223 0.028 0.000 2.042 320 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 320 L C 2.273 179.146 176.870 0.005 0.000 1.076 320 L CA 1.695 56.548 54.840 0.021 0.000 0.749 320 L CB -0.646 41.419 42.059 0.010 0.000 0.893 320 L HN -0.033 nan 8.230 nan 0.000 0.432 321 S N -0.997 114.680 115.700 -0.039 0.000 2.402 321 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 321 S C 1.777 176.318 174.600 -0.099 0.000 1.021 321 S CA 0.908 59.053 58.200 -0.093 0.000 0.974 321 S CB -0.087 63.013 63.200 -0.167 0.000 0.800 321 S HN 0.472 nan 8.310 nan 0.000 0.484 322 Q N 0.002 119.756 119.800 -0.077 0.000 2.061 322 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 322 Q C 2.488 178.628 176.000 0.233 0.000 0.984 322 Q CA 1.609 57.429 55.803 0.029 0.000 0.846 322 Q CB -0.430 28.410 28.738 0.171 0.000 0.902 322 Q HN 0.561 nan 8.270 nan 0.000 0.421 323 C N 0.495 119.916 119.300 0.202 0.000 2.413 323 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 323 C C 2.649 177.741 174.990 0.170 0.000 1.236 323 C CA 0.550 59.700 59.018 0.220 0.000 1.735 323 C CB -1.092 26.728 27.740 0.133 0.000 2.031 323 C HN 0.481 nan 8.230 nan 0.000 0.474 324 L N -0.400 120.875 121.223 0.088 0.000 2.083 324 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 324 L C 2.426 179.304 176.870 0.014 0.000 1.083 324 L CA 1.575 56.436 54.840 0.035 0.000 0.752 324 L CB -0.707 41.348 42.059 -0.007 0.000 0.899 324 L HN 0.354 nan 8.230 nan 0.000 0.433 325 F N -0.130 119.719 119.950 -0.168 0.000 2.113 325 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 325 F C 2.055 177.688 175.800 -0.279 0.000 1.103 325 F CA 1.457 59.272 58.000 -0.308 0.000 1.248 325 F CB -0.436 38.269 39.000 -0.492 0.000 0.999 325 F HN -0.040 nan 8.300 nan 0.000 0.475 326 W N 0.209 121.580 121.300 0.118 0.000 2.425 326 W HA -0.045 4.615 4.660 -0.000 0.000 0.277 326 W C 2.495 178.963 176.519 -0.085 0.000 1.231 326 W CA 0.990 58.333 57.345 -0.004 0.000 1.248 326 W CB -0.619 28.913 29.460 0.119 0.000 1.117 326 W HN 0.106 nan 8.180 nan 0.000 0.568 327 A N -0.278 122.624 122.820 0.136 0.000 2.066 327 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 327 A C 1.836 179.401 177.584 -0.032 0.000 1.157 327 A CA 1.081 53.154 52.037 0.060 0.000 0.670 327 A CB -0.620 18.410 19.000 0.050 0.000 0.804 327 A HN 0.298 nan 8.150 nan 0.000 0.453 328 L N -0.539 120.588 121.223 -0.160 0.000 2.072 328 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 328 L C 2.383 179.120 176.870 -0.222 0.000 1.079 328 L CA 1.426 56.129 54.840 -0.227 0.000 0.752 328 L CB -0.213 41.614 42.059 -0.386 0.000 0.906 328 L HN 0.149 nan 8.230 nan 0.000 0.436 329 V N -0.187 119.541 119.914 -0.309 0.000 2.307 329 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 329 V C 2.730 178.805 176.094 -0.033 0.000 1.045 329 V CA 1.578 63.762 62.300 -0.193 0.000 1.024 329 V CB -1.191 30.561 31.823 -0.119 0.000 0.651 329 V HN 0.561 nan 8.190 nan 0.000 0.449 330 A N -0.038 122.801 122.820 0.033 0.000 1.933 330 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 330 A C 2.047 179.657 177.584 0.043 0.000 1.175 330 A CA 2.153 54.220 52.037 0.050 0.000 0.628 330 A CB -0.682 18.358 19.000 0.067 0.000 0.814 330 A HN 0.565 nan 8.150 nan 0.000 0.444 331 D N -0.353 120.067 120.400 0.032 0.000 2.219 331 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 331 D C 1.664 177.999 176.300 0.057 0.000 0.970 331 D CA 0.827 54.862 54.000 0.059 0.000 0.851 331 D CB -0.175 40.663 40.800 0.063 0.000 0.943 331 D HN 0.438 nan 8.370 nan 0.000 0.488 332 L N -0.201 121.024 121.223 0.003 0.000 2.395 332 L HA 0.018 4.358 4.340 -0.000 0.000 0.218 332 L C 2.223 179.101 176.870 0.013 0.000 1.130 332 L CA 0.109 54.920 54.840 -0.048 0.000 0.826 332 L CB 0.003 41.938 42.059 -0.206 0.000 0.941 332 L HN 0.154 nan 8.230 nan 0.000 0.451 333 L N -0.983 120.270 121.223 0.049 0.000 2.095 333 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 333 L C 2.546 179.527 176.870 0.185 0.000 1.080 333 L CA 1.340 56.235 54.840 0.091 0.000 0.759 333 L CB -0.923 41.168 42.059 0.054 0.000 0.914 333 L HN 0.251 nan 8.230 nan 0.000 0.439 334 T N 0.792 115.465 114.554 0.199 0.000 2.684 334 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 334 T C 2.053 176.918 174.700 0.274 0.000 1.036 334 T CA 1.274 63.587 62.100 0.354 0.000 1.148 334 T CB -0.328 68.698 68.868 0.264 0.000 0.863 334 T HN 0.163 nan 8.240 nan 0.000 0.436 335 L N 1.129 122.445 121.223 0.155 0.000 2.046 335 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 335 L C 3.148 180.090 176.870 0.120 0.000 1.077 335 L CA 1.763 56.661 54.840 0.097 0.000 0.747 335 L CB -1.121 40.986 42.059 0.081 0.000 0.896 335 L HN 0.488 nan 8.230 nan 0.000 0.432 336 T N -3.392 111.277 114.554 0.191 0.000 2.777 336 T HA -0.256 4.094 4.350 -0.000 0.000 0.266 336 T C 1.493 176.310 174.700 0.196 0.000 1.040 336 T CA 0.857 63.086 62.100 0.216 0.000 1.141 336 T CB -0.729 68.300 68.868 0.269 0.000 0.868 336 T HN 0.519 nan 8.240 nan 0.000 0.444 337 W N 2.295 123.607 121.300 0.020 0.000 2.333 337 W HA -0.052 4.608 4.660 -0.000 0.000 0.316 337 W C 1.751 178.205 176.519 -0.108 0.000 1.215 337 W CA 0.659 57.984 57.345 -0.033 0.000 1.278 337 W CB -0.759 28.682 29.460 -0.031 0.000 1.154 337 W HN 0.102 nan 8.180 nan 0.000 0.486 338 I N 1.580 121.857 120.570 -0.489 0.000 2.163 338 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 338 I C 2.615 178.468 176.117 -0.441 0.000 1.085 338 I CA 1.987 62.852 61.300 -0.725 0.000 1.347 338 I CB -2.076 35.655 38.000 -0.449 0.000 1.044 338 I HN 0.278 nan 8.210 nan 0.000 0.408 339 G N 0.271 108.953 108.800 -0.197 0.000 2.450 339 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 339 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 339 G C 1.556 176.486 174.900 0.049 0.000 1.130 339 G CA 0.826 45.894 45.100 -0.054 0.000 0.760 339 G HN 0.524 nan 8.290 nan 0.000 0.557 340 G N -1.081 107.700 108.800 -0.033 0.000 3.181 340 G HA2 0.341 4.301 3.960 -0.000 0.000 0.219 340 G HA3 0.341 4.301 3.960 -0.000 0.000 0.219 340 G C 0.414 175.213 174.900 -0.170 0.000 1.182 340 G CA -0.106 44.980 45.100 -0.023 0.000 0.791 340 G HN 0.292 nan 8.290 nan 0.000 0.537 341 Q N 0.082 119.684 119.800 -0.331 0.000 2.387 341 Q HA 0.397 4.737 4.340 -0.000 0.000 0.273 341 Q C -2.666 173.159 176.000 -0.291 0.000 1.089 341 Q CA -2.291 53.234 55.803 -0.463 0.000 0.824 341 Q CB 1.980 30.033 28.738 -1.141 0.000 1.367 341 Q HN -0.049 nan 8.270 nan 0.000 0.443 342 P HA 0.019 nan 4.420 nan 0.000 0.268 342 P C -0.246 177.042 177.300 -0.020 0.000 1.208 342 P CA -0.175 62.892 63.100 -0.054 0.000 0.777 342 P CB 0.443 32.149 31.700 0.010 0.000 0.875 343 V N 1.924 121.815 119.914 -0.040 0.000 2.052 343 V HA 0.095 4.215 4.120 -0.000 0.000 0.281 343 V C 0.750 176.845 176.094 0.001 0.000 1.668 343 V CA 0.629 62.904 62.300 -0.041 0.000 1.621 343 V CB -1.758 30.020 31.823 -0.075 0.000 1.488 343 V HN 0.527 nan 8.190 nan 0.000 0.513 344 E N 0.151 120.376 120.200 0.042 0.000 3.446 344 E HA 0.385 4.735 4.350 -0.000 0.000 0.229 344 E C 0.355 176.970 176.600 0.026 0.000 0.740 344 E CA -0.929 55.494 56.400 0.038 0.000 1.531 344 E CB 0.640 30.368 29.700 0.047 0.000 1.891 344 E HN 0.539 nan 8.360 nan 0.000 0.383 345 H N 0.862 119.874 119.070 -0.098 0.000 1.623 345 H HA -0.067 4.489 4.556 -0.000 0.000 0.313 345 H C -1.402 173.776 175.328 -0.251 0.000 2.094 345 H CA 0.335 56.293 56.048 -0.150 0.000 1.296 345 H CB -0.387 29.299 29.762 -0.126 0.000 1.646 345 H HN 0.123 nan 8.280 nan 0.000 0.430 346 P HA -0.349 nan 4.420 nan 0.000 0.223 346 P C 1.214 178.288 177.300 -0.377 0.000 0.913 346 P CA 2.674 65.362 63.100 -0.687 0.000 1.058 346 P CB -0.663 30.694 31.700 -0.571 0.000 0.714 347 Y N -1.611 118.534 120.300 -0.260 0.000 2.218 347 Y HA -0.262 4.288 4.550 -0.000 0.000 0.272 347 Y C 2.586 178.342 175.900 -0.240 0.000 1.280 347 Y CA 0.624 58.548 58.100 -0.294 0.000 1.117 347 Y CB -2.119 36.158 38.460 -0.305 0.000 0.924 347 Y HN 0.117 nan 8.280 nan 0.000 0.522 348 I N -0.438 120.097 120.570 -0.058 0.000 2.133 348 I HA -0.298 3.872 4.170 -0.000 0.000 0.238 348 I C 2.483 178.559 176.117 -0.069 0.000 1.074 348 I CA 2.193 63.452 61.300 -0.069 0.000 1.342 348 I CB -0.745 37.223 38.000 -0.053 0.000 1.053 348 I HN 0.382 nan 8.210 nan 0.000 0.404 349 T N -0.599 113.904 114.554 -0.086 0.000 2.951 349 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 349 T C 1.873 176.554 174.700 -0.032 0.000 1.073 349 T CA 0.979 63.046 62.100 -0.056 0.000 1.134 349 T CB -0.573 68.259 68.868 -0.059 0.000 0.884 349 T HN 0.521 nan 8.240 nan 0.000 0.479 350 I N 0.614 121.162 120.570 -0.035 0.000 2.406 350 I HA 0.222 4.392 4.170 -0.000 0.000 0.249 350 I C 2.442 178.564 176.117 0.008 0.000 1.122 350 I CA 1.356 62.663 61.300 0.013 0.000 1.431 350 I CB -0.699 37.339 38.000 0.063 0.000 1.087 350 I HN 0.291 nan 8.210 nan 0.000 0.424 351 G N 0.211 108.987 108.800 -0.041 0.000 2.534 351 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 351 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 351 G C 1.551 176.433 174.900 -0.030 0.000 1.128 351 G CA 0.434 45.498 45.100 -0.060 0.000 0.784 351 G HN 0.529 nan 8.290 nan 0.000 0.542 352 Q N -0.596 119.192 119.800 -0.019 0.000 2.096 352 Q HA 0.175 4.515 4.340 -0.000 0.000 0.197 352 Q C 2.454 178.474 176.000 0.033 0.000 0.964 352 Q CA 0.451 56.254 55.803 0.000 0.000 0.838 352 Q CB -0.085 28.648 28.738 -0.009 0.000 0.906 352 Q HN 0.459 nan 8.270 nan 0.000 0.444 353 L N -0.181 121.063 121.223 0.035 0.000 2.156 353 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 353 L C 2.390 179.307 176.870 0.077 0.000 1.095 353 L CA 0.766 55.638 54.840 0.054 0.000 0.770 353 L CB -0.370 41.717 42.059 0.046 0.000 0.914 353 L HN 0.226 nan 8.230 nan 0.000 0.439 354 A N -0.662 122.202 122.820 0.074 0.000 1.930 354 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 354 A C 2.503 180.157 177.584 0.117 0.000 1.175 354 A CA 1.871 53.962 52.037 0.091 0.000 0.627 354 A CB -0.467 18.582 19.000 0.082 0.000 0.815 354 A HN 0.345 nan 8.150 nan 0.000 0.443 355 S N -0.249 115.519 115.700 0.113 0.000 2.356 355 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 355 S C 1.924 176.717 174.600 0.321 0.000 1.032 355 S CA 1.515 59.825 58.200 0.184 0.000 1.005 355 S CB -0.518 62.774 63.200 0.152 0.000 0.867 355 S HN 0.377 nan 8.310 nan 0.000 0.449 356 V N 1.950 122.002 119.914 0.230 0.000 2.287 356 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 356 V C 2.271 178.503 176.094 0.229 0.000 1.053 356 V CA 1.588 64.028 62.300 0.233 0.000 1.027 356 V CB -0.782 31.118 31.823 0.129 0.000 0.646 356 V HN 0.346 nan 8.190 nan 0.000 0.447 357 L N -0.523 120.798 121.223 0.162 0.000 2.042 357 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 357 L C 2.336 179.268 176.870 0.103 0.000 1.076 357 L CA 2.149 57.059 54.840 0.115 0.000 0.749 357 L CB -0.893 41.221 42.059 0.091 0.000 0.893 357 L HN 0.460 nan 8.230 nan 0.000 0.432 358 Y N -0.516 119.765 120.300 -0.031 0.000 2.081 358 Y HA -0.341 4.209 4.550 -0.000 0.000 0.280 358 Y C 2.112 177.873 175.900 -0.231 0.000 1.163 358 Y CA 2.310 60.297 58.100 -0.189 0.000 1.135 358 Y CB -0.592 37.678 38.460 -0.316 0.000 0.970 358 Y HN 0.223 nan 8.280 nan 0.000 0.498 359 F N -1.175 118.864 119.950 0.148 0.000 2.325 359 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 359 F C 2.049 177.859 175.800 0.016 0.000 1.090 359 F CA 0.784 58.827 58.000 0.072 0.000 1.392 359 F CB -0.625 38.492 39.000 0.196 0.000 1.053 359 F HN 0.141 nan 8.300 nan 0.000 0.521 360 L N -0.845 120.482 121.223 0.172 0.000 2.109 360 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 360 L C 2.048 178.930 176.870 0.019 0.000 1.086 360 L CA 1.164 56.061 54.840 0.094 0.000 0.760 360 L CB -0.574 41.533 42.059 0.080 0.000 0.910 360 L HN 0.021 nan 8.230 nan 0.000 0.437 361 L N -0.348 120.855 121.223 -0.033 0.000 1.961 361 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 361 L C 2.357 179.152 176.870 -0.126 0.000 1.075 361 L CA 1.980 56.768 54.840 -0.086 0.000 0.749 361 L CB -0.764 41.219 42.059 -0.128 0.000 0.890 361 L HN 0.199 nan 8.230 nan 0.000 0.433 362 I N -1.291 119.148 120.570 -0.218 0.000 2.208 362 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 362 I C 2.182 178.237 176.117 -0.103 0.000 1.097 362 I CA 1.011 62.180 61.300 -0.218 0.000 1.363 362 I CB -0.231 37.552 38.000 -0.362 0.000 1.051 362 I HN 0.239 nan 8.210 nan 0.000 0.413 363 L N -0.932 120.279 121.223 -0.020 0.000 2.375 363 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 363 L C 1.722 178.605 176.870 0.021 0.000 1.108 363 L CA 1.246 56.112 54.840 0.044 0.000 0.830 363 L CB 0.378 42.531 42.059 0.156 0.000 0.959 363 L HN -0.015 nan 8.230 nan 0.000 0.457 364 V N -2.864 117.054 119.914 0.007 0.000 3.102 364 V HA 0.035 4.155 4.120 -0.000 0.000 0.225 364 V C 1.735 177.819 176.094 -0.016 0.000 1.301 364 V CA 0.101 62.403 62.300 0.002 0.000 1.308 364 V CB 0.248 32.082 31.823 0.020 0.000 1.129 364 V HN 0.040 nan 8.190 nan 0.000 0.502 365 L N 0.024 121.235 121.223 -0.020 0.000 1.994 365 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 365 L C 2.393 179.236 176.870 -0.044 0.000 1.071 365 L CA 2.302 57.126 54.840 -0.026 0.000 0.745 365 L CB -0.810 41.236 42.059 -0.020 0.000 0.892 365 L HN 0.271 nan 8.230 nan 0.000 0.431 366 M N -1.013 118.547 119.600 -0.066 0.000 2.080 366 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 366 M C -0.152 176.089 176.300 -0.099 0.000 1.068 366 M CA 1.988 57.235 55.300 -0.088 0.000 1.109 366 M CB -1.585 30.948 32.600 -0.111 0.000 1.342 366 M HN 0.134 nan 8.290 nan 0.000 0.405 367 P HA -0.100 nan 4.420 nan 0.000 0.214 367 P C 1.403 178.660 177.300 -0.073 0.000 1.163 367 P CA 1.474 64.517 63.100 -0.094 0.000 0.883 367 P CB -0.305 31.354 31.700 -0.068 0.000 0.788 368 T N -0.284 114.241 114.554 -0.049 0.000 2.699 368 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 368 T C 1.875 176.554 174.700 -0.035 0.000 1.036 368 T CA 1.841 63.921 62.100 -0.034 0.000 1.147 368 T CB -1.036 67.820 68.868 -0.020 0.000 0.862 368 T HN 0.074 nan 8.240 nan 0.000 0.446 369 A N 1.296 124.090 122.820 -0.043 0.000 1.908 369 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 369 A C 2.648 180.203 177.584 -0.049 0.000 1.181 369 A CA 1.923 53.936 52.037 -0.039 0.000 0.627 369 A CB -1.360 17.613 19.000 -0.045 0.000 0.818 369 A HN 0.528 nan 8.150 nan 0.000 0.445 370 G N -1.250 107.500 108.800 -0.083 0.000 2.418 370 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 370 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 370 G C 1.563 176.429 174.900 -0.058 0.000 1.158 370 G CA 1.635 46.673 45.100 -0.103 0.000 0.771 370 G HN 0.436 nan 8.290 nan 0.000 0.545 371 T N 1.212 115.738 114.554 -0.047 0.000 2.777 371 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 371 T C 2.385 177.088 174.700 0.004 0.000 1.040 371 T CA 0.838 62.926 62.100 -0.020 0.000 1.141 371 T CB -0.129 68.728 68.868 -0.020 0.000 0.868 371 T HN 0.235 nan 8.240 nan 0.000 0.444 372 I N 0.970 121.540 120.570 -0.000 0.000 2.226 372 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 372 I C 2.617 178.750 176.117 0.026 0.000 1.100 372 I CA 1.430 62.737 61.300 0.012 0.000 1.374 372 I CB -0.353 37.650 38.000 0.005 0.000 1.057 372 I HN 0.335 nan 8.210 nan 0.000 0.413 373 E N 0.623 120.838 120.200 0.026 0.000 2.110 373 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 373 E C 1.889 178.549 176.600 0.100 0.000 0.988 373 E CA 1.105 57.534 56.400 0.050 0.000 0.804 373 E CB -0.139 29.584 29.700 0.038 0.000 0.745 373 E HN 0.459 nan 8.360 nan 0.000 0.458 374 N N 1.148 119.914 118.700 0.111 0.000 2.043 374 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 374 N C 1.543 177.162 175.510 0.182 0.000 1.037 374 N CA 1.112 54.284 53.050 0.202 0.000 0.851 374 N CB -0.173 38.388 38.487 0.124 0.000 1.027 374 N HN 0.102 nan 8.380 nan 0.000 0.422 375 K N 0.519 120.979 120.400 0.101 0.000 2.103 375 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 375 K C 2.045 178.674 176.600 0.048 0.000 1.048 375 K CA 0.753 57.083 56.287 0.071 0.000 0.930 375 K CB -0.239 32.287 32.500 0.043 0.000 0.716 375 K HN 0.141 nan 8.250 nan 0.000 0.444 376 L N 0.656 121.903 121.223 0.039 0.000 2.201 376 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 376 L C 1.953 178.814 176.870 -0.015 0.000 1.105 376 L CA 0.810 55.658 54.840 0.013 0.000 0.775 376 L CB -0.090 41.977 42.059 0.015 0.000 0.913 376 L HN 0.187 nan 8.230 nan 0.000 0.440 377 L N -0.479 120.739 121.223 -0.008 0.000 2.591 377 L HA -0.014 4.326 4.340 -0.000 0.000 0.228 377 L C 0.725 177.487 176.870 -0.179 0.000 1.133 377 L CA 0.241 55.009 54.840 -0.120 0.000 0.880 377 L CB -0.087 41.891 42.059 -0.136 0.000 1.033 377 L HN 0.265 nan 8.230 nan 0.000 0.450 378 K N -2.467 117.906 120.400 -0.045 0.000 3.281 378 K HA -0.216 4.104 4.320 -0.000 0.000 0.295 378 K C -0.179 176.462 176.600 0.070 0.000 1.233 378 K CA 0.574 56.850 56.287 -0.018 0.000 0.866 378 K CB -1.485 30.972 32.500 -0.071 0.000 1.265 378 K HN 0.233 nan 8.250 nan 0.000 0.482 379 W N 0.000 121.295 121.300 -0.009 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.341 57.345 -0.007 0.000 1.226 379 W CB 0.000 29.456 29.460 -0.007 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535