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 1ntm_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 0.000 174.707 174.700 0.012 0.000 1.109 2 T CA 0.000 62.105 62.100 0.009 0.000 1.349 2 T CB 0.000 68.873 68.868 0.008 0.000 0.612 3 N N 2.311 121.018 118.700 0.012 0.000 2.438 3 N HA 0.063 4.803 4.740 -0.000 0.000 0.267 3 N C 1.846 177.368 175.510 0.020 0.000 1.222 3 N CA -0.233 52.825 53.050 0.013 0.000 0.930 3 N CB 0.175 38.669 38.487 0.011 0.000 1.083 3 N HN 0.641 nan 8.380 nan 0.000 0.476 4 I N 2.466 123.049 120.570 0.021 0.000 2.194 4 I HA -0.276 3.894 4.170 -0.000 0.000 0.246 4 I C 2.088 178.229 176.117 0.041 0.000 1.093 4 I CA 1.254 62.575 61.300 0.036 0.000 1.355 4 I CB -0.801 37.209 38.000 0.016 0.000 1.046 4 I HN 0.566 nan 8.210 nan 0.000 0.413 5 R N 1.539 122.048 120.500 0.015 0.000 2.127 5 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 5 R C 2.289 178.605 176.300 0.028 0.000 1.134 5 R CA 1.288 57.395 56.100 0.011 0.000 0.975 5 R CB 0.074 30.372 30.300 -0.002 0.000 0.865 5 R HN 0.483 nan 8.270 nan 0.000 0.447 6 K N -0.726 119.689 120.400 0.026 0.000 2.186 6 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 6 K C 1.828 178.443 176.600 0.026 0.000 1.052 6 K CA 1.442 57.742 56.287 0.021 0.000 0.965 6 K CB 0.302 32.810 32.500 0.014 0.000 0.746 6 K HN 0.221 nan 8.250 nan 0.000 0.457 7 S N -0.659 115.066 115.700 0.042 0.000 2.520 7 S HA -0.009 4.460 4.470 -0.000 0.000 0.219 7 S C 0.547 175.173 174.600 0.044 0.000 1.028 7 S CA -0.333 57.886 58.200 0.032 0.000 0.921 7 S CB -0.406 62.806 63.200 0.021 0.000 0.844 7 S HN 0.327 nan 8.310 nan 0.000 0.495 8 H N 4.210 123.275 119.070 -0.009 0.000 3.004 8 H HA 0.248 4.804 4.556 -0.000 0.000 0.316 8 H C -1.929 173.394 175.328 -0.009 0.000 1.014 8 H CA -0.971 55.073 56.048 -0.007 0.000 1.454 8 H CB 0.817 30.576 29.762 -0.006 0.000 1.472 8 H HN -0.016 nan 8.280 nan 0.000 0.571 9 P HA -0.225 nan 4.420 nan 0.000 0.218 9 P C 1.212 178.512 177.300 0.000 0.000 1.146 9 P CA 1.156 64.175 63.100 -0.135 0.000 0.820 9 P CB 0.281 31.855 31.700 -0.210 0.000 0.778 10 L N -2.358 118.970 121.223 0.176 0.000 2.130 10 L HA 0.017 4.357 4.340 -0.000 0.000 0.200 10 L C 2.353 179.330 176.870 0.179 0.000 1.075 10 L CA 1.234 56.208 54.840 0.224 0.000 0.768 10 L CB -0.541 41.704 42.059 0.310 0.000 0.933 10 L HN -0.033 nan 8.230 nan 0.000 0.451 11 M N -0.426 119.309 119.600 0.226 0.000 2.149 11 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 11 M C 2.107 178.446 176.300 0.065 0.000 1.064 11 M CA 1.618 56.971 55.300 0.088 0.000 1.102 11 M CB -0.332 32.282 32.600 0.023 0.000 1.369 11 M HN 0.090 nan 8.290 nan 0.000 0.408 12 K N 0.548 120.989 120.400 0.068 0.000 2.049 12 K HA -0.237 4.083 4.320 -0.000 0.000 0.219 12 K C 1.816 178.411 176.600 -0.009 0.000 1.056 12 K CA 1.702 58.001 56.287 0.020 0.000 0.946 12 K CB -0.371 32.133 32.500 0.007 0.000 0.723 12 K HN 0.239 nan 8.250 nan 0.000 0.453 13 I N 0.829 121.400 120.570 0.002 0.000 2.053 13 I HA -0.313 3.857 4.170 -0.000 0.000 0.236 13 I C 2.451 178.546 176.117 -0.037 0.000 1.038 13 I CA 1.481 62.766 61.300 -0.025 0.000 1.304 13 I CB -1.420 36.588 38.000 0.013 0.000 1.023 13 I HN 0.020 nan 8.210 nan 0.000 0.395 14 V N 1.475 121.424 119.914 0.058 0.000 2.250 14 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 14 V C 2.382 178.531 176.094 0.093 0.000 1.060 14 V CA 2.581 64.984 62.300 0.170 0.000 1.030 14 V CB -1.185 30.740 31.823 0.170 0.000 0.643 14 V HN 0.472 nan 8.190 nan 0.000 0.445 15 N N 0.841 119.558 118.700 0.030 0.000 2.104 15 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 15 N C 1.349 176.817 175.510 -0.070 0.000 1.024 15 N CA 1.861 54.912 53.050 0.003 0.000 0.853 15 N CB -0.321 38.167 38.487 0.002 0.000 1.008 15 N HN 0.521 nan 8.380 nan 0.000 0.424 16 N N -0.612 118.006 118.700 -0.137 0.000 2.398 16 N HA 0.132 4.872 4.740 -0.000 0.000 0.188 16 N C 0.540 175.771 175.510 -0.464 0.000 1.122 16 N CA 0.624 53.538 53.050 -0.226 0.000 0.866 16 N CB 0.253 38.633 38.487 -0.179 0.000 0.970 16 N HN 0.363 nan 8.380 nan 0.000 0.462 17 A N -0.794 121.692 122.820 -0.556 0.000 2.055 17 A HA 0.324 4.643 4.320 -0.000 0.000 0.205 17 A C 0.443 177.271 177.584 -1.260 0.000 1.235 17 A CA 0.252 51.665 52.037 -1.040 0.000 0.822 17 A CB 0.198 18.495 19.000 -1.171 0.000 0.903 17 A HN 0.191 nan 8.150 nan 0.000 0.473 18 F N -1.362 118.418 119.950 -0.283 0.000 2.944 18 F HA 0.352 4.879 4.527 -0.000 0.000 0.332 18 F C 0.800 176.618 175.800 0.029 0.000 1.215 18 F CA -0.468 57.300 58.000 -0.386 0.000 1.079 18 F CB 0.549 39.399 39.000 -0.250 0.000 1.272 18 F HN 0.018 nan 8.300 nan 0.000 0.509 19 I N -0.898 119.785 120.570 0.188 0.000 3.650 19 I HA 0.202 4.372 4.170 -0.000 0.000 0.261 19 I C 0.909 177.158 176.117 0.220 0.000 1.154 19 I CA 0.415 61.852 61.300 0.229 0.000 1.418 19 I CB -0.519 37.538 38.000 0.095 0.000 1.539 19 I HN -0.107 nan 8.210 nan 0.000 0.449 20 D N 1.209 121.676 120.400 0.110 0.000 2.389 20 D HA 0.142 4.782 4.640 -0.000 0.000 0.206 20 D C 0.925 177.273 176.300 0.079 0.000 1.055 20 D CA -0.100 53.957 54.000 0.095 0.000 0.856 20 D CB 0.370 41.197 40.800 0.046 0.000 0.957 20 D HN 0.010 nan 8.370 nan 0.000 0.509 21 L N 2.865 124.105 121.223 0.028 0.000 2.776 21 L HA 0.019 4.359 4.340 -0.000 0.000 0.283 21 L C -2.415 174.525 176.870 0.117 0.000 1.194 21 L CA -0.454 54.379 54.840 -0.012 0.000 0.947 21 L CB -0.086 41.895 42.059 -0.130 0.000 1.255 21 L HN -0.200 nan 8.230 nan 0.000 0.481 22 P HA 0.301 nan 4.420 nan 0.000 0.271 22 P C -1.144 176.241 177.300 0.142 0.000 1.226 22 P CA 0.006 63.170 63.100 0.107 0.000 0.765 22 P CB 0.954 32.690 31.700 0.059 0.000 0.835 23 A N 5.403 128.341 122.820 0.196 0.000 2.413 23 A HA 0.761 5.081 4.320 -0.000 0.000 0.307 23 A C -2.788 174.875 177.584 0.131 0.000 1.087 23 A CA -2.258 49.897 52.037 0.197 0.000 0.750 23 A CB 0.844 20.062 19.000 0.363 0.000 1.296 23 A HN 0.263 nan 8.150 nan 0.000 0.423 24 P HA 0.093 nan 4.420 nan 0.000 0.269 24 P C 0.840 178.153 177.300 0.022 0.000 1.209 24 P CA 0.196 63.276 63.100 -0.032 0.000 0.776 24 P CB 0.846 32.449 31.700 -0.163 0.000 0.876 25 S N 0.760 116.448 115.700 -0.020 0.000 2.515 25 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 25 S C 1.512 176.088 174.600 -0.040 0.000 0.987 25 S CA 0.631 58.800 58.200 -0.053 0.000 0.936 25 S CB -0.944 62.189 63.200 -0.112 0.000 0.766 25 S HN 0.489 nan 8.310 nan 0.000 0.528 26 N N 1.620 120.268 118.700 -0.086 0.000 2.173 26 N HA 0.046 4.786 4.740 -0.000 0.000 0.184 26 N C 0.767 176.122 175.510 -0.258 0.000 1.025 26 N CA 0.593 53.551 53.050 -0.153 0.000 0.852 26 N CB -0.268 38.107 38.487 -0.187 0.000 0.998 26 N HN 0.600 nan 8.380 nan 0.000 0.427 27 I N 1.677 121.967 120.570 -0.466 0.000 2.989 27 I HA -0.077 4.093 4.170 -0.000 0.000 0.311 27 I C 0.463 176.411 176.117 -0.282 0.000 1.221 27 I CA -0.242 60.587 61.300 -0.785 0.000 1.449 27 I CB 0.393 37.712 38.000 -1.135 0.000 1.325 27 I HN 0.068 nan 8.210 nan 0.000 0.557 28 S N 3.139 118.771 115.700 -0.114 0.000 2.748 28 S HA 0.366 4.836 4.470 -0.000 0.000 0.299 28 S C 0.996 175.763 174.600 0.278 0.000 1.119 28 S CA -0.203 58.084 58.200 0.144 0.000 0.997 28 S CB 1.376 64.716 63.200 0.233 0.000 1.223 28 S HN 0.725 nan 8.310 nan 0.000 0.541 29 S N -0.031 115.754 115.700 0.142 0.000 2.407 29 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 29 S C 1.139 175.779 174.600 0.067 0.000 1.036 29 S CA 1.788 59.990 58.200 0.003 0.000 1.013 29 S CB -0.707 62.381 63.200 -0.187 0.000 0.820 29 S HN 0.745 nan 8.310 nan 0.000 0.476 30 W N 0.345 121.880 121.300 0.392 0.000 2.538 30 W HA -0.001 4.659 4.660 -0.000 0.000 0.254 30 W C 1.655 178.332 176.519 0.262 0.000 1.249 30 W CA -0.210 57.360 57.345 0.375 0.000 1.253 30 W CB -0.291 29.274 29.460 0.175 0.000 1.130 30 W HN 0.394 nan 8.180 nan 0.000 0.618 31 W N -0.097 121.357 121.300 0.257 0.000 3.197 31 W HA 0.028 4.688 4.660 -0.000 0.000 0.274 31 W C 1.363 177.973 176.519 0.152 0.000 1.297 31 W CA 0.143 57.596 57.345 0.180 0.000 1.662 31 W CB -0.408 29.070 29.460 0.029 0.000 1.106 31 W HN -0.057 nan 8.180 nan 0.000 0.663 32 N N 0.519 119.327 118.700 0.180 0.000 2.396 32 N HA -0.113 4.627 4.740 -0.000 0.000 0.180 32 N C 1.256 176.691 175.510 -0.124 0.000 1.028 32 N CA 0.965 53.989 53.050 -0.044 0.000 0.893 32 N CB -0.500 37.834 38.487 -0.256 0.000 0.967 32 N HN 0.114 nan 8.380 nan 0.000 0.440 33 F N 1.184 121.242 119.950 0.180 0.000 2.333 33 F HA -0.046 4.481 4.527 -0.000 0.000 0.300 33 F C 2.526 178.353 175.800 0.046 0.000 1.083 33 F CA 0.774 58.869 58.000 0.159 0.000 1.395 33 F CB -0.763 38.395 39.000 0.264 0.000 1.056 33 F HN 0.038 nan 8.300 nan 0.000 0.529 34 G N -0.223 108.754 108.800 0.294 0.000 2.404 34 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 34 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 34 G C 1.801 176.734 174.900 0.054 0.000 1.174 34 G CA 1.065 46.254 45.100 0.149 0.000 0.780 34 G HN 0.443 nan 8.290 nan 0.000 0.537 35 S N 0.599 116.358 115.700 0.098 0.000 2.387 35 S HA 0.060 4.530 4.470 -0.000 0.000 0.226 35 S C 2.343 176.919 174.600 -0.039 0.000 1.026 35 S CA 0.894 59.130 58.200 0.061 0.000 0.972 35 S CB -0.364 62.909 63.200 0.121 0.000 0.814 35 S HN 0.273 nan 8.310 nan 0.000 0.477 36 L N 0.725 121.902 121.223 -0.076 0.000 2.093 36 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 36 L C 2.577 179.325 176.870 -0.203 0.000 1.085 36 L CA 0.917 55.682 54.840 -0.126 0.000 0.755 36 L CB -0.676 41.298 42.059 -0.141 0.000 0.904 36 L HN 0.282 nan 8.230 nan 0.000 0.435 37 L N -0.341 120.743 121.223 -0.232 0.000 2.083 37 L HA -0.145 4.194 4.340 -0.000 0.000 0.209 37 L C 2.663 179.269 176.870 -0.441 0.000 1.083 37 L CA 1.371 55.940 54.840 -0.452 0.000 0.752 37 L CB -1.057 40.759 42.059 -0.404 0.000 0.899 37 L HN 0.317 nan 8.230 nan 0.000 0.433 38 G N 0.164 108.828 108.800 -0.225 0.000 2.421 38 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 38 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 38 G C 1.576 176.378 174.900 -0.164 0.000 1.171 38 G CA 0.575 45.587 45.100 -0.146 0.000 0.775 38 G HN 0.244 nan 8.290 nan 0.000 0.543 39 I N 0.502 120.980 120.570 -0.154 0.000 2.208 39 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 39 I C 2.801 178.811 176.117 -0.179 0.000 1.097 39 I CA 0.801 62.021 61.300 -0.134 0.000 1.363 39 I CB -0.424 37.514 38.000 -0.103 0.000 1.051 39 I HN 0.201 nan 8.210 nan 0.000 0.413 40 C N 0.230 119.342 119.300 -0.313 0.000 2.422 40 C HA -0.152 4.308 4.460 -0.000 0.000 0.279 40 C C 2.703 177.499 174.990 -0.323 0.000 1.305 40 C CA 0.386 59.170 59.018 -0.391 0.000 1.757 40 C CB -0.938 26.328 27.740 -0.790 0.000 1.962 40 C HN 0.480 nan 8.230 nan 0.000 0.499 41 L N 1.852 122.860 121.223 -0.358 0.000 2.027 41 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 41 L C 2.289 179.138 176.870 -0.035 0.000 1.074 41 L CA 1.875 56.647 54.840 -0.113 0.000 0.745 41 L CB -0.932 41.078 42.059 -0.082 0.000 0.898 41 L HN 0.507 nan 8.230 nan 0.000 0.433 42 I N -2.622 117.918 120.570 -0.048 0.000 2.315 42 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 42 I C 2.389 178.506 176.117 -0.001 0.000 1.117 42 I CA 1.496 62.791 61.300 -0.009 0.000 1.404 42 I CB -0.389 37.607 38.000 -0.006 0.000 1.071 42 I HN 0.317 nan 8.210 nan 0.000 0.419 43 L N 1.068 122.281 121.223 -0.017 0.000 2.012 43 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 43 L C 2.785 179.695 176.870 0.068 0.000 1.073 43 L CA 1.666 56.510 54.840 0.006 0.000 0.748 43 L CB -0.510 41.546 42.059 -0.006 0.000 0.891 43 L HN 0.306 nan 8.230 nan 0.000 0.431 44 Q N -0.408 119.450 119.800 0.097 0.000 2.226 44 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 44 Q C 2.239 178.313 176.000 0.124 0.000 0.975 44 Q CA 1.658 57.577 55.803 0.193 0.000 0.866 44 Q CB -0.200 28.634 28.738 0.161 0.000 0.915 44 Q HN 0.633 nan 8.270 nan 0.000 0.440 45 I N -0.309 120.275 120.570 0.023 0.000 2.400 45 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 45 I C 2.195 178.323 176.117 0.018 0.000 1.109 45 I CA 0.347 61.623 61.300 -0.040 0.000 1.425 45 I CB -0.010 37.978 38.000 -0.021 0.000 1.094 45 I HN 0.132 nan 8.210 nan 0.000 0.425 46 L N 0.226 121.479 121.223 0.049 0.000 1.988 46 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 46 L C 2.849 179.759 176.870 0.068 0.000 1.071 46 L CA 2.303 57.189 54.840 0.077 0.000 0.744 46 L CB -0.483 41.583 42.059 0.011 0.000 0.893 46 L HN 0.402 nan 8.230 nan 0.000 0.433 47 T N -3.313 111.229 114.554 -0.019 0.000 2.708 47 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 47 T C 1.932 176.538 174.700 -0.158 0.000 1.037 47 T CA 0.987 63.045 62.100 -0.070 0.000 1.146 47 T CB -1.472 67.389 68.868 -0.012 0.000 0.865 47 T HN 0.438 nan 8.240 nan 0.000 0.435 48 G N 1.746 110.351 108.800 -0.326 0.000 2.505 48 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 48 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 48 G C 1.478 176.246 174.900 -0.219 0.000 1.145 48 G CA 1.201 45.971 45.100 -0.552 0.000 0.761 48 G HN 0.489 nan 8.290 nan 0.000 0.571 49 L N -0.415 120.771 121.223 -0.061 0.000 1.994 49 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 49 L C 2.619 179.568 176.870 0.132 0.000 1.071 49 L CA 1.671 56.531 54.840 0.033 0.000 0.745 49 L CB -0.673 41.464 42.059 0.130 0.000 0.892 49 L HN 0.194 nan 8.230 nan 0.000 0.431 50 F N -1.144 118.804 119.950 -0.004 0.000 2.161 50 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 50 F C 2.219 178.089 175.800 0.117 0.000 1.089 50 F CA 0.916 58.953 58.000 0.062 0.000 1.282 50 F CB -0.824 38.191 39.000 0.024 0.000 1.010 50 F HN 0.067 nan 8.300 nan 0.000 0.485 51 L N -0.245 121.085 121.223 0.179 0.000 2.131 51 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 51 L C 2.487 179.485 176.870 0.214 0.000 1.092 51 L CA 1.743 56.654 54.840 0.118 0.000 0.759 51 L CB -1.836 40.179 42.059 -0.074 0.000 0.903 51 L HN 0.130 nan 8.230 nan 0.000 0.435 52 A N -1.754 121.202 122.820 0.226 0.000 2.119 52 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 52 A C 2.149 179.898 177.584 0.275 0.000 1.152 52 A CA 0.702 52.970 52.037 0.385 0.000 0.708 52 A CB -0.440 18.911 19.000 0.586 0.000 0.805 52 A HN 0.387 nan 8.150 nan 0.000 0.460 53 M N -1.106 118.578 119.600 0.139 0.000 2.659 53 M HA 0.028 4.508 4.480 -0.000 0.000 0.243 53 M C 1.256 177.358 176.300 -0.330 0.000 1.111 53 M CA 0.777 56.018 55.300 -0.099 0.000 1.070 53 M CB -0.048 32.411 32.600 -0.236 0.000 1.525 53 M HN 0.507 nan 8.290 nan 0.000 0.517 54 H N -2.741 116.396 119.070 0.112 0.000 2.312 54 H HA 0.113 4.668 4.556 -0.000 0.000 0.215 54 H C 0.001 175.405 175.328 0.126 0.000 0.870 54 H CA -0.238 55.883 56.048 0.122 0.000 0.982 54 H CB -0.057 29.755 29.762 0.084 0.000 1.330 54 H HN 0.209 nan 8.280 nan 0.000 0.399 55 Y N 4.472 124.841 120.300 0.115 0.000 2.805 55 Y HA 0.038 4.588 4.550 -0.000 0.000 0.337 55 Y C 0.364 176.184 175.900 -0.134 0.000 1.252 55 Y CA 0.257 58.340 58.100 -0.028 0.000 1.515 55 Y CB 0.576 38.972 38.460 -0.105 0.000 1.305 55 Y HN 0.053 nan 8.280 nan 0.000 0.600 56 T N 1.613 115.656 114.554 -0.852 0.000 2.856 56 T HA 0.352 4.702 4.350 -0.000 0.000 0.283 56 T C 0.211 174.187 174.700 -1.207 0.000 1.008 56 T CA -0.404 61.255 62.100 -0.735 0.000 0.997 56 T CB 1.387 70.016 68.868 -0.400 0.000 0.992 56 T HN 0.713 nan 8.240 nan 0.000 0.454 57 S N 0.424 115.652 115.700 -0.788 0.000 2.582 57 S HA 0.256 4.726 4.470 -0.000 0.000 0.249 57 S C -0.477 173.893 174.600 -0.383 0.000 1.072 57 S CA -0.601 57.243 58.200 -0.593 0.000 1.115 57 S CB -0.659 62.367 63.200 -0.289 0.000 0.790 57 S HN 0.750 nan 8.310 nan 0.000 0.459 58 D N 1.314 121.473 120.400 -0.401 0.000 2.505 58 D HA 0.350 4.990 4.640 -0.000 0.000 0.249 58 D C 1.476 177.561 176.300 -0.358 0.000 1.082 58 D CA -0.055 53.745 54.000 -0.333 0.000 0.839 58 D CB 2.150 42.804 40.800 -0.244 0.000 1.317 58 D HN 0.163 nan 8.370 nan 0.000 0.497 59 T N 0.193 114.473 114.554 -0.455 0.000 2.718 59 T HA -0.297 4.053 4.350 -0.000 0.000 0.266 59 T C 1.704 176.295 174.700 -0.182 0.000 1.033 59 T CA 2.172 63.981 62.100 -0.485 0.000 1.151 59 T CB -0.747 67.854 68.868 -0.445 0.000 0.853 59 T HN 0.402 nan 8.240 nan 0.000 0.466 60 T N 2.024 116.487 114.554 -0.153 0.000 2.665 60 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 60 T C 2.117 176.771 174.700 -0.076 0.000 1.035 60 T CA 2.211 64.255 62.100 -0.094 0.000 1.151 60 T CB -0.716 68.089 68.868 -0.105 0.000 0.862 60 T HN 0.882 nan 8.240 nan 0.000 0.438 61 T N -1.232 113.249 114.554 -0.123 0.000 3.044 61 T HA 0.634 4.984 4.350 -0.000 0.000 0.260 61 T C 2.004 176.638 174.700 -0.111 0.000 1.019 61 T CA 0.497 62.534 62.100 -0.105 0.000 0.921 61 T CB 0.007 68.784 68.868 -0.150 0.000 1.053 61 T HN 0.254 nan 8.240 nan 0.000 0.533 62 A N 2.128 124.862 122.820 -0.144 0.000 1.859 62 A HA -0.090 4.229 4.320 -0.000 0.000 0.218 62 A C 1.828 179.488 177.584 0.127 0.000 1.242 62 A CA 1.884 53.860 52.037 -0.101 0.000 0.661 62 A CB -1.456 17.509 19.000 -0.059 0.000 0.842 62 A HN 0.498 nan 8.150 nan 0.000 0.455 63 F N 0.349 120.349 119.950 0.084 0.000 2.095 63 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 63 F C 2.889 178.718 175.800 0.049 0.000 1.104 63 F CA 1.992 60.045 58.000 0.087 0.000 1.232 63 F CB -0.250 38.799 39.000 0.083 0.000 0.987 63 F HN 0.257 nan 8.300 nan 0.000 0.475 64 S N -0.242 115.671 115.700 0.354 0.000 2.359 64 S HA -0.273 4.197 4.470 -0.000 0.000 0.223 64 S C 2.301 177.003 174.600 0.170 0.000 1.039 64 S CA 1.995 60.330 58.200 0.225 0.000 1.042 64 S CB -0.744 62.510 63.200 0.091 0.000 0.915 64 S HN 0.647 nan 8.310 nan 0.000 0.439 65 S N 1.005 116.763 115.700 0.096 0.000 2.374 65 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 65 S C 1.866 176.579 174.600 0.188 0.000 1.037 65 S CA 1.559 59.842 58.200 0.137 0.000 1.024 65 S CB -1.064 62.122 63.200 -0.024 0.000 0.861 65 S HN 0.345 nan 8.310 nan 0.000 0.456 66 V N 2.795 122.791 119.914 0.135 0.000 2.332 66 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 66 V C 2.902 179.000 176.094 0.006 0.000 1.055 66 V CA 2.287 64.619 62.300 0.054 0.000 1.038 66 V CB -1.709 30.070 31.823 -0.073 0.000 0.651 66 V HN 0.712 nan 8.190 nan 0.000 0.450 67 T N -1.087 113.503 114.554 0.060 0.000 2.812 67 T HA -0.217 4.133 4.350 -0.000 0.000 0.264 67 T C 1.815 176.585 174.700 0.117 0.000 1.042 67 T CA 1.570 63.730 62.100 0.099 0.000 1.140 67 T CB -0.547 68.451 68.868 0.216 0.000 0.870 67 T HN 0.710 nan 8.240 nan 0.000 0.445 68 H N 1.666 120.768 119.070 0.054 0.000 2.319 68 H HA -0.075 4.481 4.556 -0.000 0.000 0.297 68 H C 2.157 177.498 175.328 0.022 0.000 1.097 68 H CA 1.545 57.618 56.048 0.043 0.000 1.285 68 H CB -0.383 29.406 29.762 0.044 0.000 1.368 68 H HN 0.331 nan 8.280 nan 0.000 0.495 69 I N 0.663 121.104 120.570 -0.215 0.000 2.118 69 I HA -0.367 3.803 4.170 -0.000 0.000 0.241 69 I C 2.807 178.824 176.117 -0.168 0.000 1.070 69 I CA 1.582 62.711 61.300 -0.286 0.000 1.327 69 I CB -0.406 37.514 38.000 -0.132 0.000 1.034 69 I HN 0.407 nan 8.210 nan 0.000 0.405 70 C N 0.085 119.349 119.300 -0.061 0.000 2.448 70 C HA -0.003 4.457 4.460 -0.000 0.000 0.280 70 C C 2.700 177.739 174.990 0.082 0.000 1.398 70 C CA 0.358 59.401 59.018 0.042 0.000 1.774 70 C CB -1.325 26.436 27.740 0.036 0.000 1.888 70 C HN 0.439 nan 8.230 nan 0.000 0.519 71 R N 0.511 121.029 120.500 0.030 0.000 2.102 71 R HA 0.054 4.394 4.340 -0.000 0.000 0.208 71 R C 1.382 177.695 176.300 0.020 0.000 1.131 71 R CA 0.798 56.918 56.100 0.034 0.000 1.054 71 R CB -0.183 30.148 30.300 0.052 0.000 0.954 71 R HN 0.399 nan 8.270 nan 0.000 0.465 72 D N 0.654 121.051 120.400 -0.005 0.000 2.197 72 D HA 0.008 4.648 4.640 -0.000 0.000 0.212 72 D C 0.509 176.766 176.300 -0.072 0.000 0.963 72 D CA 0.567 54.568 54.000 0.001 0.000 0.864 72 D CB -0.045 40.831 40.800 0.127 0.000 1.009 72 D HN -0.135 nan 8.370 nan 0.000 0.479 73 V N 2.649 122.422 119.914 -0.235 0.000 2.540 73 V HA -0.061 4.059 4.120 -0.000 0.000 0.297 73 V C 0.401 176.416 176.094 -0.131 0.000 1.024 73 V CA -0.051 62.084 62.300 -0.276 0.000 1.105 73 V CB -0.393 31.069 31.823 -0.601 0.000 0.938 73 V HN 0.086 nan 8.190 nan 0.000 0.482 74 N N 5.011 123.681 118.700 -0.051 0.000 2.440 74 N HA 0.106 4.846 4.740 -0.000 0.000 0.265 74 N C -0.070 175.481 175.510 0.069 0.000 1.239 74 N CA -0.105 52.947 53.050 0.003 0.000 0.909 74 N CB -0.142 38.434 38.487 0.150 0.000 1.066 74 N HN 0.763 nan 8.380 nan 0.000 0.474 75 Y N -0.743 119.478 120.300 -0.131 0.000 4.753 75 Y HA -0.281 4.269 4.550 -0.000 0.000 0.232 75 Y C 1.858 177.462 175.900 -0.493 0.000 1.029 75 Y CA 0.454 58.276 58.100 -0.464 0.000 1.996 75 Y CB -1.885 36.348 38.460 -0.378 0.000 1.602 75 Y HN 0.792 nan 8.280 nan 0.000 0.621 76 G N 0.460 109.159 108.800 -0.168 0.000 2.479 76 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 76 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 76 G C 1.312 176.116 174.900 -0.160 0.000 1.115 76 G CA 0.939 45.932 45.100 -0.179 0.000 0.757 76 G HN 0.810 nan 8.290 nan 0.000 0.560 77 W N 1.592 122.806 121.300 -0.143 0.000 2.407 77 W HA -0.002 4.658 4.660 -0.000 0.000 0.305 77 W C 2.060 178.486 176.519 -0.155 0.000 1.196 77 W CA 0.982 58.198 57.345 -0.215 0.000 1.311 77 W CB -1.128 28.282 29.460 -0.083 0.000 1.135 77 W HN 0.301 nan 8.180 nan 0.000 0.514 78 I N 0.679 120.828 120.570 -0.703 0.000 2.226 78 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 78 I C 2.715 178.718 176.117 -0.190 0.000 1.100 78 I CA 1.661 62.707 61.300 -0.423 0.000 1.374 78 I CB -1.123 36.501 38.000 -0.627 0.000 1.057 78 I HN -0.160 nan 8.210 nan 0.000 0.413 79 I N 0.657 121.080 120.570 -0.245 0.000 2.091 79 I HA -0.280 3.889 4.170 -0.000 0.000 0.239 79 I C 2.900 178.980 176.117 -0.062 0.000 1.061 79 I CA 1.457 62.670 61.300 -0.146 0.000 1.317 79 I CB -0.700 37.211 38.000 -0.147 0.000 1.031 79 I HN 0.302 nan 8.210 nan 0.000 0.401 80 R N 0.819 121.237 120.500 -0.136 0.000 2.103 80 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 80 R C 2.230 178.527 176.300 -0.004 0.000 1.142 80 R CA 2.031 58.045 56.100 -0.143 0.000 0.960 80 R CB -0.555 29.518 30.300 -0.379 0.000 0.858 80 R HN 0.358 nan 8.270 nan 0.000 0.439 81 Y N -0.325 120.077 120.300 0.170 0.000 2.286 81 Y HA 0.044 4.594 4.550 -0.000 0.000 0.293 81 Y C 2.430 178.426 175.900 0.159 0.000 1.124 81 Y CA 0.706 58.918 58.100 0.186 0.000 1.178 81 Y CB -0.578 38.017 38.460 0.225 0.000 1.010 81 Y HN -0.048 nan 8.280 nan 0.000 0.536 82 M N -1.178 118.567 119.600 0.243 0.000 2.117 82 M HA -0.243 4.236 4.480 -0.000 0.000 0.262 82 M C 2.072 178.500 176.300 0.213 0.000 1.065 82 M CA 1.847 57.251 55.300 0.172 0.000 1.114 82 M CB -0.521 32.125 32.600 0.077 0.000 1.361 82 M HN 0.278 nan 8.290 nan 0.000 0.408 83 H N 0.453 119.589 119.070 0.110 0.000 2.253 83 H HA -0.083 4.473 4.556 -0.000 0.000 0.296 83 H C 2.004 177.443 175.328 0.185 0.000 1.067 83 H CA 2.402 58.522 56.048 0.121 0.000 1.245 83 H CB -0.443 29.374 29.762 0.091 0.000 1.364 83 H HN 0.304 nan 8.280 nan 0.000 0.494 84 A N 0.749 123.698 122.820 0.216 0.000 1.884 84 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 84 A C 2.305 180.025 177.584 0.228 0.000 1.197 84 A CA 2.233 54.401 52.037 0.218 0.000 0.637 84 A CB -0.687 18.522 19.000 0.349 0.000 0.827 84 A HN 0.605 nan 8.150 nan 0.000 0.450 85 N N -0.258 118.590 118.700 0.248 0.000 2.331 85 N HA -0.079 4.661 4.740 -0.000 0.000 0.180 85 N C 1.797 177.438 175.510 0.218 0.000 1.019 85 N CA 1.217 54.411 53.050 0.240 0.000 0.881 85 N CB -0.671 37.945 38.487 0.214 0.000 0.972 85 N HN 0.516 nan 8.380 nan 0.000 0.435 86 G N 0.663 109.566 108.800 0.171 0.000 2.432 86 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 86 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 86 G C 1.635 176.644 174.900 0.182 0.000 1.135 86 G CA 0.975 46.164 45.100 0.148 0.000 0.767 86 G HN 0.411 nan 8.290 nan 0.000 0.550 87 A N 0.463 123.372 122.820 0.147 0.000 1.930 87 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 87 A C 2.673 180.392 177.584 0.224 0.000 1.175 87 A CA 2.116 54.236 52.037 0.139 0.000 0.627 87 A CB -0.452 18.590 19.000 0.070 0.000 0.815 87 A HN 0.299 nan 8.150 nan 0.000 0.443 88 S N -0.698 115.210 115.700 0.347 0.000 2.357 88 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 88 S C 2.050 176.962 174.600 0.521 0.000 1.031 88 S CA 1.442 59.991 58.200 0.582 0.000 0.982 88 S CB -0.283 63.361 63.200 0.739 0.000 0.853 88 S HN 0.445 nan 8.310 nan 0.000 0.458 89 M N 0.526 120.338 119.600 0.353 0.000 2.149 89 M HA -0.053 4.427 4.480 -0.000 0.000 0.261 89 M C 1.820 178.269 176.300 0.249 0.000 1.064 89 M CA 1.240 56.701 55.300 0.268 0.000 1.102 89 M CB -1.442 31.262 32.600 0.173 0.000 1.369 89 M HN 0.305 nan 8.290 nan 0.000 0.408 90 F N 0.256 120.223 119.950 0.030 0.000 2.134 90 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 90 F C 2.033 177.645 175.800 -0.313 0.000 1.097 90 F CA 1.267 59.175 58.000 -0.154 0.000 1.264 90 F CB -0.729 38.125 39.000 -0.243 0.000 1.001 90 F HN -0.002 nan 8.300 nan 0.000 0.479 91 F N -0.383 119.550 119.950 -0.028 0.000 2.259 91 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 91 F C 2.409 178.110 175.800 -0.166 0.000 1.088 91 F CA 0.629 58.403 58.000 -0.378 0.000 1.358 91 F CB -0.532 37.999 39.000 -0.781 0.000 1.040 91 F HN -0.099 nan 8.300 nan 0.000 0.505 92 I N -0.638 120.158 120.570 0.377 0.000 2.179 92 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 92 I C 2.397 178.636 176.117 0.203 0.000 1.088 92 I CA 1.302 62.834 61.300 0.386 0.000 1.357 92 I CB -1.305 36.908 38.000 0.355 0.000 1.051 92 I HN 0.216 nan 8.210 nan 0.000 0.409 93 C N 0.170 119.582 119.300 0.187 0.000 2.440 93 C HA -0.119 4.341 4.460 -0.000 0.000 0.278 93 C C 2.752 177.780 174.990 0.064 0.000 1.295 93 C CA 0.024 59.169 59.018 0.213 0.000 1.738 93 C CB -1.084 26.827 27.740 0.284 0.000 1.987 93 C HN 0.438 nan 8.230 nan 0.000 0.492 94 L N 0.095 121.293 121.223 -0.041 0.000 2.017 94 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 94 L C 2.307 179.175 176.870 -0.004 0.000 1.073 94 L CA 2.080 56.842 54.840 -0.130 0.000 0.745 94 L CB -1.098 40.694 42.059 -0.444 0.000 0.894 94 L HN 0.318 nan 8.230 nan 0.000 0.432 95 Y N -2.071 118.251 120.300 0.037 0.000 2.314 95 Y HA -0.185 4.365 4.550 -0.000 0.000 0.293 95 Y C 2.488 178.375 175.900 -0.021 0.000 1.129 95 Y CA 0.984 59.091 58.100 0.011 0.000 1.201 95 Y CB -0.771 37.721 38.460 0.054 0.000 0.999 95 Y HN 0.177 nan 8.280 nan 0.000 0.541 96 M N -0.894 118.742 119.600 0.061 0.000 2.086 96 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 96 M C 2.103 178.361 176.300 -0.071 0.000 1.067 96 M CA 1.744 56.952 55.300 -0.153 0.000 1.116 96 M CB -0.773 31.309 32.600 -0.863 0.000 1.348 96 M HN 0.258 nan 8.290 nan 0.000 0.407 97 H N -1.007 117.998 119.070 -0.108 0.000 2.319 97 H HA -0.089 4.466 4.556 -0.000 0.000 0.299 97 H C 1.799 177.159 175.328 0.054 0.000 1.092 97 H CA 2.224 58.289 56.048 0.029 0.000 1.302 97 H CB -0.212 29.591 29.762 0.069 0.000 1.373 97 H HN 0.176 nan 8.280 nan 0.000 0.497 98 V N -0.087 119.919 119.914 0.154 0.000 2.626 98 V HA -0.156 3.964 4.120 -0.000 0.000 0.252 98 V C 2.565 178.740 176.094 0.135 0.000 1.067 98 V CA 1.525 63.889 62.300 0.107 0.000 1.081 98 V CB -1.005 30.862 31.823 0.072 0.000 0.686 98 V HN 0.678 nan 8.190 nan 0.000 0.468 99 G N 0.104 108.950 108.800 0.076 0.000 2.434 99 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.214 99 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.214 99 G C 1.702 176.597 174.900 -0.008 0.000 1.202 99 G CA 0.690 45.825 45.100 0.058 0.000 0.788 99 G HN 0.322 nan 8.290 nan 0.000 0.539 100 R N 1.307 121.750 120.500 -0.096 0.000 2.096 100 R HA -0.099 4.241 4.340 -0.000 0.000 0.240 100 R C 2.650 178.943 176.300 -0.012 0.000 1.139 100 R CA 2.225 58.252 56.100 -0.121 0.000 0.952 100 R CB -1.379 28.798 30.300 -0.204 0.000 0.854 100 R HN 0.300 nan 8.270 nan 0.000 0.436 101 G N 1.474 110.291 108.800 0.028 0.000 2.446 101 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 101 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 101 G C 1.739 176.757 174.900 0.197 0.000 1.168 101 G CA 0.686 45.897 45.100 0.184 0.000 0.771 101 G HN 0.355 nan 8.290 nan 0.000 0.551 102 L N -1.141 120.200 121.223 0.198 0.000 2.027 102 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 102 L C 2.600 179.439 176.870 -0.052 0.000 1.074 102 L CA 1.493 56.390 54.840 0.096 0.000 0.745 102 L CB -0.282 41.849 42.059 0.120 0.000 0.898 102 L HN 0.379 nan 8.230 nan 0.000 0.433 103 Y N -0.495 119.530 120.300 -0.458 0.000 2.181 103 Y HA -0.310 4.240 4.550 -0.000 0.000 0.288 103 Y C 1.758 177.217 175.900 -0.734 0.000 1.146 103 Y CA 1.912 59.425 58.100 -0.979 0.000 1.164 103 Y CB -0.208 37.316 38.460 -1.560 0.000 0.982 103 Y HN 0.173 nan 8.280 nan 0.000 0.515 104 Y N -0.283 119.966 120.300 -0.085 0.000 2.461 104 Y HA 0.247 4.797 4.550 -0.000 0.000 0.277 104 Y C 1.767 177.547 175.900 -0.200 0.000 1.182 104 Y CA 0.270 58.329 58.100 -0.069 0.000 1.276 104 Y CB 0.199 38.715 38.460 0.092 0.000 1.087 104 Y HN 0.249 nan 8.280 nan 0.000 0.519 105 G N -0.493 108.200 108.800 -0.179 0.000 2.155 105 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.257 105 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.257 105 G C 1.228 175.572 174.900 -0.927 0.000 0.983 105 G CA 0.689 45.367 45.100 -0.703 0.000 0.676 105 G HN 0.390 nan 8.290 nan 0.000 0.528 106 S N -0.420 115.009 115.700 -0.452 0.000 2.440 106 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 106 S C 1.869 176.149 174.600 -0.535 0.000 1.010 106 S CA 1.760 59.703 58.200 -0.428 0.000 0.972 106 S CB -0.461 62.690 63.200 -0.082 0.000 0.774 106 S HN 1.042 nan 8.310 nan 0.000 0.501 107 Y N 2.225 122.160 120.300 -0.607 0.000 2.651 107 Y HA -0.038 4.512 4.550 -0.000 0.000 0.296 107 Y C 2.178 177.707 175.900 -0.619 0.000 1.150 107 Y CA 0.825 58.376 58.100 -0.916 0.000 1.348 107 Y CB -1.951 35.386 38.460 -1.872 0.000 0.983 107 Y HN 0.266 nan 8.280 nan 0.000 0.555 108 T N -3.067 110.939 114.554 -0.913 0.000 2.977 108 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 108 T C 0.261 174.805 174.700 -0.260 0.000 1.105 108 T CA 0.220 61.945 62.100 -0.624 0.000 1.116 108 T CB -0.808 67.630 68.868 -0.717 0.000 0.878 108 T HN 0.173 nan 8.240 nan 0.000 0.509 109 F N 2.505 122.361 119.950 -0.157 0.000 2.619 109 F HA 0.444 4.970 4.527 -0.000 0.000 0.350 109 F C 1.450 177.242 175.800 -0.014 0.000 1.259 109 F CA -2.271 55.694 58.000 -0.059 0.000 1.204 109 F CB -0.972 38.024 39.000 -0.008 0.000 1.556 109 F HN 0.042 nan 8.300 nan 0.000 0.650 110 L N 0.616 121.915 121.223 0.127 0.000 1.976 110 L HA -0.326 4.014 4.340 -0.000 0.000 0.223 110 L C 2.014 178.933 176.870 0.081 0.000 1.081 110 L CA 2.038 56.931 54.840 0.088 0.000 0.784 110 L CB -0.371 41.704 42.059 0.027 0.000 0.896 110 L HN 0.363 nan 8.230 nan 0.000 0.438 111 E N -0.743 119.396 120.200 -0.102 0.000 2.051 111 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 111 E C 2.010 178.493 176.600 -0.195 0.000 0.991 111 E CA 1.701 57.883 56.400 -0.363 0.000 0.799 111 E CB -0.514 28.536 29.700 -1.083 0.000 0.748 111 E HN 0.368 nan 8.360 nan 0.000 0.449 112 T N 0.841 115.361 114.554 -0.057 0.000 2.665 112 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 112 T C 1.231 176.131 174.700 0.333 0.000 1.035 112 T CA 1.445 63.609 62.100 0.107 0.000 1.151 112 T CB -0.409 68.510 68.868 0.084 0.000 0.862 112 T HN 0.421 nan 8.240 nan 0.000 0.438 113 W N 2.389 123.781 121.300 0.155 0.000 2.381 113 W HA -0.091 4.569 4.660 -0.000 0.000 0.301 113 W C 1.830 178.423 176.519 0.123 0.000 1.205 113 W CA 1.058 58.509 57.345 0.175 0.000 1.285 113 W CB -0.580 28.968 29.460 0.148 0.000 1.133 113 W HN 0.371 nan 8.180 nan 0.000 0.521 114 N N 0.483 119.316 118.700 0.222 0.000 2.188 114 N HA -0.200 4.540 4.740 -0.000 0.000 0.184 114 N C 1.584 177.091 175.510 -0.005 0.000 1.018 114 N CA 1.385 54.469 53.050 0.056 0.000 0.858 114 N CB -0.217 38.319 38.487 0.082 0.000 0.989 114 N HN 0.006 nan 8.380 nan 0.000 0.426 115 I N 1.331 121.942 120.570 0.067 0.000 2.286 115 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 115 I C 2.593 178.675 176.117 -0.058 0.000 1.115 115 I CA 1.018 62.364 61.300 0.078 0.000 1.392 115 I CB -1.702 36.452 38.000 0.256 0.000 1.065 115 I HN 0.106 nan 8.210 nan 0.000 0.418 116 G N 0.106 108.864 108.800 -0.071 0.000 2.422 116 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 116 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 116 G C 1.852 176.576 174.900 -0.292 0.000 1.146 116 G CA 0.859 45.800 45.100 -0.265 0.000 0.769 116 G HN 0.295 nan 8.290 nan 0.000 0.547 117 V N 1.437 121.163 119.914 -0.313 0.000 2.358 117 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 117 V C 2.760 178.761 176.094 -0.154 0.000 1.047 117 V CA 1.017 63.159 62.300 -0.264 0.000 1.035 117 V CB -0.262 31.421 31.823 -0.234 0.000 0.658 117 V HN 0.268 nan 8.190 nan 0.000 0.452 118 I N -0.377 120.122 120.570 -0.118 0.000 2.315 118 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 118 I C 2.336 178.391 176.117 -0.104 0.000 1.117 118 I CA 1.574 62.826 61.300 -0.079 0.000 1.404 118 I CB -1.108 36.869 38.000 -0.040 0.000 1.071 118 I HN 0.278 nan 8.210 nan 0.000 0.419 119 L N -0.239 120.894 121.223 -0.150 0.000 2.079 119 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 119 L C 2.551 179.309 176.870 -0.186 0.000 1.081 119 L CA 0.884 55.619 54.840 -0.175 0.000 0.752 119 L CB -0.538 41.368 42.059 -0.256 0.000 0.896 119 L HN 0.218 nan 8.230 nan 0.000 0.433 120 L N -0.132 120.981 121.223 -0.184 0.000 1.961 120 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 120 L C 2.365 179.164 176.870 -0.117 0.000 1.072 120 L CA 1.782 56.518 54.840 -0.173 0.000 0.749 120 L CB -0.523 41.458 42.059 -0.130 0.000 0.889 120 L HN 0.067 nan 8.230 nan 0.000 0.432 121 L N -1.111 120.072 121.223 -0.067 0.000 2.043 121 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 121 L C 2.356 179.210 176.870 -0.026 0.000 1.075 121 L CA 1.881 56.710 54.840 -0.018 0.000 0.752 121 L CB -1.333 40.716 42.059 -0.017 0.000 0.891 121 L HN 0.359 nan 8.230 nan 0.000 0.432 122 T N -0.710 113.803 114.554 -0.068 0.000 2.674 122 T HA -0.194 4.156 4.350 -0.000 0.000 0.265 122 T C 1.905 176.537 174.700 -0.113 0.000 1.039 122 T CA 1.586 63.640 62.100 -0.075 0.000 1.150 122 T CB -0.318 68.502 68.868 -0.080 0.000 0.864 122 T HN 0.183 nan 8.240 nan 0.000 0.427 123 V N 0.948 120.729 119.914 -0.222 0.000 2.490 123 V HA -0.131 3.989 4.120 -0.000 0.000 0.250 123 V C 2.216 178.197 176.094 -0.189 0.000 1.061 123 V CA 1.620 63.681 62.300 -0.399 0.000 1.064 123 V CB -0.488 30.807 31.823 -0.881 0.000 0.670 123 V HN 0.490 nan 8.190 nan 0.000 0.461 124 M N -0.369 119.216 119.600 -0.025 0.000 2.064 124 M HA -0.092 4.388 4.480 -0.000 0.000 0.260 124 M C 2.385 178.884 176.300 0.331 0.000 1.073 124 M CA 2.282 57.762 55.300 0.299 0.000 1.124 124 M CB -0.573 32.180 32.600 0.256 0.000 1.326 124 M HN 0.457 nan 8.290 nan 0.000 0.410 125 A N -0.258 122.668 122.820 0.177 0.000 1.917 125 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 125 A C 2.120 179.795 177.584 0.151 0.000 1.182 125 A CA 2.409 54.541 52.037 0.159 0.000 0.633 125 A CB -1.310 17.721 19.000 0.052 0.000 0.819 125 A HN 0.510 nan 8.150 nan 0.000 0.448 126 T N 0.205 114.809 114.554 0.082 0.000 2.635 126 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 126 T C 2.175 177.016 174.700 0.235 0.000 1.040 126 T CA 1.954 64.106 62.100 0.088 0.000 1.156 126 T CB -0.457 68.370 68.868 -0.069 0.000 0.863 126 T HN 0.637 nan 8.240 nan 0.000 0.430 127 A N 0.561 123.522 122.820 0.234 0.000 1.968 127 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 127 A C 2.005 179.762 177.584 0.289 0.000 1.169 127 A CA 0.991 53.201 52.037 0.288 0.000 0.638 127 A CB -0.899 18.277 19.000 0.294 0.000 0.812 127 A HN 0.589 nan 8.150 nan 0.000 0.446 128 F N 0.320 120.351 119.950 0.135 0.000 2.069 128 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 128 F C 2.209 178.047 175.800 0.064 0.000 1.113 128 F CA 2.281 60.282 58.000 0.002 0.000 1.214 128 F CB -0.216 38.719 39.000 -0.109 0.000 0.978 128 F HN 0.167 nan 8.300 nan 0.000 0.474 129 M N 0.587 119.961 119.600 -0.377 0.000 2.159 129 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 129 M C 2.486 178.650 176.300 -0.226 0.000 1.063 129 M CA 1.560 56.565 55.300 -0.491 0.000 1.110 129 M CB -1.081 31.245 32.600 -0.458 0.000 1.374 129 M HN 0.416 nan 8.290 nan 0.000 0.411 130 G N -0.157 108.471 108.800 -0.287 0.000 2.491 130 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 130 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 130 G C 1.299 176.085 174.900 -0.189 0.000 1.180 130 G CA 1.107 45.787 45.100 -0.700 0.000 0.774 130 G HN 0.610 nan 8.290 nan 0.000 0.562 131 Y N 1.096 121.320 120.300 -0.125 0.000 2.616 131 Y HA 0.165 4.715 4.550 -0.000 0.000 0.296 131 Y C 2.174 178.070 175.900 -0.007 0.000 1.154 131 Y CA 0.600 58.678 58.100 -0.037 0.000 1.325 131 Y CB 0.092 38.569 38.460 0.028 0.000 1.007 131 Y HN 0.029 nan 8.280 nan 0.000 0.542 132 V N 0.703 120.567 119.914 -0.084 0.000 2.951 132 V HA -0.223 3.897 4.120 -0.000 0.000 0.255 132 V C 2.309 178.468 176.094 0.110 0.000 1.088 132 V CA 1.218 63.494 62.300 -0.040 0.000 1.109 132 V CB -0.525 31.371 31.823 0.121 0.000 0.724 132 V HN 0.479 nan 8.190 nan 0.000 0.471 133 L N 0.584 121.830 121.223 0.037 0.000 1.990 133 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 133 L C -0.118 176.835 176.870 0.138 0.000 1.072 133 L CA 1.867 56.727 54.840 0.032 0.000 0.755 133 L CB -2.092 39.825 42.059 -0.237 0.000 0.889 133 L HN 0.383 nan 8.230 nan 0.000 0.432 134 P HA -0.191 nan 4.420 nan 0.000 0.234 134 P C 0.120 177.536 177.300 0.193 0.000 1.167 134 P CA 0.452 63.582 63.100 0.050 0.000 0.763 134 P CB -0.115 31.495 31.700 -0.150 0.000 0.835 135 W N -0.042 121.240 121.300 -0.032 0.000 5.721 135 W HA -0.156 4.504 4.660 -0.000 0.000 0.406 135 W C 0.024 176.606 176.519 0.105 0.000 1.576 135 W CA -0.057 57.305 57.345 0.028 0.000 0.977 135 W CB -1.287 28.215 29.460 0.070 0.000 2.771 135 W HN -0.025 nan 8.180 nan 0.000 1.435 136 G N 0.815 109.635 108.800 0.033 0.000 2.547 136 G HA2 0.188 4.148 3.960 -0.000 0.000 0.291 136 G HA3 0.188 4.148 3.960 -0.000 0.000 0.291 136 G C 0.558 175.416 174.900 -0.069 0.000 1.211 136 G CA -0.055 45.083 45.100 0.064 0.000 0.950 136 G HN 0.237 nan 8.290 nan 0.000 0.504 137 Q N -0.746 119.075 119.800 0.036 0.000 2.030 137 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 137 Q C 2.737 178.831 176.000 0.157 0.000 0.986 137 Q CA 1.315 57.175 55.803 0.094 0.000 0.843 137 Q CB -0.252 28.582 28.738 0.159 0.000 0.904 137 Q HN 0.453 nan 8.270 nan 0.000 0.420 138 M N 0.145 119.805 119.600 0.100 0.000 2.159 138 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 138 M C 2.209 178.449 176.300 -0.099 0.000 1.063 138 M CA 1.184 56.553 55.300 0.114 0.000 1.110 138 M CB -1.238 31.487 32.600 0.208 0.000 1.374 138 M HN 0.021 nan 8.290 nan 0.000 0.411 139 S N 0.667 116.135 115.700 -0.387 0.000 2.378 139 S HA -0.195 4.275 4.470 -0.000 0.000 0.221 139 S C 1.811 176.209 174.600 -0.335 0.000 1.037 139 S CA 1.631 59.509 58.200 -0.537 0.000 1.069 139 S CB -0.892 62.083 63.200 -0.375 0.000 1.006 139 S HN 0.473 nan 8.310 nan 0.000 0.423 140 F N 0.797 120.364 119.950 -0.638 0.000 2.065 140 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 140 F C 2.024 177.517 175.800 -0.512 0.000 1.112 140 F CA 1.647 59.121 58.000 -0.877 0.000 1.212 140 F CB -0.416 37.792 39.000 -1.319 0.000 0.975 140 F HN 0.246 nan 8.300 nan 0.000 0.476 141 W N 0.047 121.361 121.300 0.024 0.000 2.407 141 W HA 0.029 4.689 4.660 -0.000 0.000 0.305 141 W C 2.728 179.255 176.519 0.013 0.000 1.196 141 W CA 0.992 58.371 57.345 0.057 0.000 1.311 141 W CB -1.200 28.323 29.460 0.104 0.000 1.135 141 W HN 0.092 nan 8.180 nan 0.000 0.514 142 G N 0.422 109.372 108.800 0.249 0.000 2.440 142 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.218 142 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.218 142 G C 1.604 176.656 174.900 0.254 0.000 1.154 142 G CA 1.404 46.645 45.100 0.234 0.000 0.767 142 G HN 0.314 nan 8.290 nan 0.000 0.552 143 A N 0.040 122.944 122.820 0.140 0.000 1.969 143 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 143 A C 2.516 180.203 177.584 0.171 0.000 1.169 143 A CA 2.341 54.492 52.037 0.190 0.000 0.635 143 A CB -0.595 18.351 19.000 -0.091 0.000 0.810 143 A HN 0.321 nan 8.150 nan 0.000 0.445 144 T N -0.470 114.081 114.554 -0.005 0.000 2.770 144 T HA -0.064 4.286 4.350 -0.000 0.000 0.258 144 T C 1.927 176.778 174.700 0.252 0.000 1.039 144 T CA 1.343 63.489 62.100 0.077 0.000 1.143 144 T CB -0.579 68.257 68.868 -0.053 0.000 0.866 144 T HN 0.137 nan 8.240 nan 0.000 0.428 145 V N 1.890 121.945 119.914 0.236 0.000 2.231 145 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 145 V C 2.421 178.587 176.094 0.119 0.000 1.058 145 V CA 1.830 64.238 62.300 0.180 0.000 1.022 145 V CB -0.788 31.106 31.823 0.118 0.000 0.640 145 V HN 0.442 nan 8.190 nan 0.000 0.445 146 I N -0.233 120.386 120.570 0.082 0.000 2.133 146 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 146 I C 2.626 178.728 176.117 -0.026 0.000 1.074 146 I CA 2.002 63.263 61.300 -0.065 0.000 1.342 146 I CB -0.924 36.889 38.000 -0.313 0.000 1.053 146 I HN 0.330 nan 8.210 nan 0.000 0.404 147 T N 0.796 115.448 114.554 0.165 0.000 2.624 147 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 147 T C 1.785 176.464 174.700 -0.035 0.000 1.041 147 T CA 1.831 64.020 62.100 0.147 0.000 1.159 147 T CB -0.575 68.512 68.868 0.365 0.000 0.863 147 T HN 0.292 nan 8.240 nan 0.000 0.434 148 N N 1.091 119.816 118.700 0.041 0.000 2.184 148 N HA -0.083 4.657 4.740 -0.000 0.000 0.190 148 N C 1.853 177.345 175.510 -0.031 0.000 1.011 148 N CA 0.842 53.883 53.050 -0.015 0.000 0.867 148 N CB -0.548 38.034 38.487 0.159 0.000 0.993 148 N HN 0.378 nan 8.380 nan 0.000 0.433 149 L N 0.879 122.094 121.223 -0.014 0.000 2.064 149 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 149 L C 2.031 178.880 176.870 -0.034 0.000 1.077 149 L CA 1.124 55.951 54.840 -0.021 0.000 0.766 149 L CB -0.392 41.642 42.059 -0.041 0.000 0.890 149 L HN 0.216 nan 8.230 nan 0.000 0.435 150 L N -0.717 120.470 121.223 -0.061 0.000 2.456 150 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 150 L C 2.406 179.246 176.870 -0.050 0.000 1.148 150 L CA 0.879 55.686 54.840 -0.054 0.000 0.825 150 L CB -0.656 41.365 42.059 -0.063 0.000 0.937 150 L HN 0.376 nan 8.230 nan 0.000 0.450 151 S N -0.431 115.233 115.700 -0.060 0.000 2.603 151 S HA 0.043 4.513 4.470 -0.000 0.000 0.229 151 S C 1.723 176.320 174.600 -0.005 0.000 0.972 151 S CA 0.525 58.700 58.200 -0.040 0.000 0.935 151 S CB 0.017 63.195 63.200 -0.035 0.000 0.769 151 S HN 0.364 nan 8.310 nan 0.000 0.536 152 A N 1.157 123.976 122.820 -0.001 0.000 2.115 152 A HA 0.457 4.777 4.320 -0.000 0.000 0.211 152 A C 0.826 178.420 177.584 0.017 0.000 1.169 152 A CA -0.317 51.727 52.037 0.011 0.000 0.787 152 A CB -0.316 18.689 19.000 0.009 0.000 0.858 152 A HN 0.582 nan 8.150 nan 0.000 0.474 153 I N 2.305 122.883 120.570 0.013 0.000 2.752 153 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 153 I C -2.231 173.913 176.117 0.044 0.000 1.180 153 I CA -1.335 59.979 61.300 0.024 0.000 1.404 153 I CB 0.375 38.385 38.000 0.017 0.000 1.389 153 I HN 0.080 nan 8.210 nan 0.000 0.549 154 P HA -0.146 nan 4.420 nan 0.000 0.264 154 P C 0.082 177.494 177.300 0.187 0.000 1.183 154 P CA 0.425 63.582 63.100 0.095 0.000 0.763 154 P CB 0.137 31.879 31.700 0.070 0.000 0.807 155 Y N 2.407 122.708 120.300 0.002 0.000 4.916 155 Y HA -0.268 4.282 4.550 -0.000 0.000 0.247 155 Y C 0.600 176.501 175.900 0.002 0.000 0.962 155 Y CA 1.563 59.665 58.100 0.003 0.000 1.933 155 Y CB -1.824 36.636 38.460 -0.001 0.000 1.451 155 Y HN 0.455 nan 8.280 nan 0.000 0.539 156 I N -2.266 118.304 120.570 0.001 0.000 5.080 156 I HA 0.199 4.369 4.170 -0.000 0.000 0.356 156 I C 2.015 178.108 176.117 -0.040 0.000 1.231 156 I CA 0.622 61.877 61.300 -0.075 0.000 1.458 156 I CB 0.023 37.997 38.000 -0.043 0.000 1.672 156 I HN 0.171 nan 8.210 nan 0.000 0.568 157 G N 1.010 109.803 108.800 -0.012 0.000 2.469 157 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 157 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 157 G C 1.430 176.306 174.900 -0.040 0.000 1.150 157 G CA 1.965 47.051 45.100 -0.023 0.000 0.763 157 G HN 0.327 nan 8.290 nan 0.000 0.561 158 T N 1.245 115.789 114.554 -0.017 0.000 2.569 158 T HA -0.204 4.146 4.350 -0.000 0.000 0.263 158 T C 2.124 176.832 174.700 0.014 0.000 1.074 158 T CA 1.477 63.581 62.100 0.006 0.000 1.176 158 T CB -0.722 68.167 68.868 0.035 0.000 0.863 158 T HN 0.420 nan 8.240 nan 0.000 0.410 159 N N 0.960 119.665 118.700 0.009 0.000 2.096 159 N HA -0.127 4.613 4.740 -0.000 0.000 0.195 159 N C 1.773 177.321 175.510 0.063 0.000 1.017 159 N CA 1.008 54.074 53.050 0.027 0.000 0.870 159 N CB -0.358 38.102 38.487 -0.045 0.000 1.024 159 N HN 0.137 nan 8.380 nan 0.000 0.434 160 L N 0.277 121.514 121.223 0.023 0.000 2.027 160 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 160 L C 1.982 178.888 176.870 0.059 0.000 1.074 160 L CA 1.142 56.029 54.840 0.077 0.000 0.745 160 L CB -0.275 41.796 42.059 0.020 0.000 0.898 160 L HN 0.024 nan 8.230 nan 0.000 0.433 161 V N -0.732 119.106 119.914 -0.126 0.000 2.407 161 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 161 V C 2.363 178.171 176.094 -0.477 0.000 1.055 161 V CA 1.923 63.948 62.300 -0.458 0.000 1.049 161 V CB -0.600 30.800 31.823 -0.704 0.000 0.662 161 V HN 0.478 nan 8.190 nan 0.000 0.455 162 E N -1.318 118.843 120.200 -0.066 0.000 2.150 162 E HA -0.239 4.110 4.350 -0.000 0.000 0.193 162 E C 1.891 178.624 176.600 0.221 0.000 0.985 162 E CA 1.338 57.880 56.400 0.237 0.000 0.814 162 E CB -0.183 29.680 29.700 0.272 0.000 0.752 162 E HN 0.768 nan 8.360 nan 0.000 0.466 163 W N 1.700 123.011 121.300 0.019 0.000 2.381 163 W HA -0.108 4.552 4.660 -0.000 0.000 0.301 163 W C 1.915 178.483 176.519 0.082 0.000 1.205 163 W CA 1.470 58.836 57.345 0.036 0.000 1.285 163 W CB -0.068 29.398 29.460 0.009 0.000 1.133 163 W HN 0.071 nan 8.180 nan 0.000 0.521 164 I N -1.948 118.606 120.570 -0.027 0.000 3.428 164 I HA -0.034 4.136 4.170 -0.000 0.000 0.286 164 I C 1.551 177.719 176.117 0.085 0.000 1.287 164 I CA 0.699 61.915 61.300 -0.141 0.000 1.396 164 I CB -0.600 37.399 38.000 -0.002 0.000 1.062 164 I HN -0.048 nan 8.210 nan 0.000 0.471 165 W N 2.551 123.827 121.300 -0.039 0.000 2.539 165 W HA 0.334 4.994 4.660 -0.000 0.000 0.281 165 W C 1.902 178.358 176.519 -0.104 0.000 1.220 165 W CA 1.194 58.508 57.345 -0.051 0.000 1.332 165 W CB -0.651 28.806 29.460 -0.006 0.000 1.095 165 W HN 0.410 nan 8.180 nan 0.000 0.571 166 G N 0.621 109.485 108.800 0.106 0.000 2.212 166 G HA2 0.147 4.107 3.960 -0.000 0.000 0.255 166 G HA3 0.147 4.107 3.960 -0.000 0.000 0.255 166 G C 0.406 175.286 174.900 -0.033 0.000 1.062 166 G CA 0.368 45.458 45.100 -0.017 0.000 0.815 166 G HN 0.788 nan 8.290 nan 0.000 0.497 167 G N -1.930 106.862 108.800 -0.014 0.000 2.513 167 G HA2 0.476 4.436 3.960 -0.000 0.000 0.182 167 G HA3 0.476 4.436 3.960 -0.000 0.000 0.182 167 G C -0.216 174.620 174.900 -0.106 0.000 1.190 167 G CA 0.285 45.296 45.100 -0.149 0.000 0.987 167 G HN 0.557 nan 8.290 nan 0.000 0.479 168 F N 1.566 121.570 119.950 0.091 0.000 2.706 168 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 168 F C 1.024 176.750 175.800 -0.124 0.000 1.096 168 F CA 0.074 58.149 58.000 0.125 0.000 1.219 168 F CB 1.137 40.183 39.000 0.077 0.000 1.051 168 F HN 0.657 nan 8.300 nan 0.000 0.568 169 S N -1.357 114.168 115.700 -0.291 0.000 2.661 169 S HA 0.449 4.919 4.470 -0.000 0.000 0.268 169 S C -1.132 172.840 174.600 -1.047 0.000 1.162 169 S CA -0.616 57.047 58.200 -0.895 0.000 0.817 169 S CB 0.797 63.782 63.200 -0.360 0.000 1.141 169 S HN -0.313 nan 8.310 nan 0.000 0.477 170 V N 3.388 122.671 119.914 -1.051 0.000 2.157 170 V HA 0.236 4.356 4.120 -0.000 0.000 0.241 170 V C 0.428 176.425 176.094 -0.161 0.000 1.349 170 V CA 0.340 62.198 62.300 -0.736 0.000 1.319 170 V CB -1.028 30.164 31.823 -1.052 0.000 1.421 170 V HN 0.680 nan 8.190 nan 0.000 0.501 171 D N 2.041 122.355 120.400 -0.144 0.000 2.440 171 D HA 0.250 4.890 4.640 -0.000 0.000 0.282 171 D C 1.430 177.667 176.300 -0.105 0.000 1.189 171 D CA -0.423 53.563 54.000 -0.023 0.000 1.105 171 D CB 0.824 41.585 40.800 -0.065 0.000 1.173 171 D HN 0.169 nan 8.370 nan 0.000 0.577 172 K N -0.048 120.266 120.400 -0.143 0.000 2.062 172 K HA 0.029 4.349 4.320 -0.000 0.000 0.205 172 K C 1.873 178.340 176.600 -0.222 0.000 1.051 172 K CA 0.923 57.071 56.287 -0.231 0.000 0.941 172 K CB -0.153 32.245 32.500 -0.170 0.000 0.719 172 K HN 0.262 nan 8.250 nan 0.000 0.440 173 A N 0.948 123.675 122.820 -0.154 0.000 1.892 173 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 173 A C 2.166 179.662 177.584 -0.146 0.000 1.188 173 A CA 2.247 54.208 52.037 -0.127 0.000 0.631 173 A CB -1.135 17.809 19.000 -0.093 0.000 0.822 173 A HN 0.259 nan 8.150 nan 0.000 0.447 174 T N -0.284 114.160 114.554 -0.183 0.000 2.977 174 T HA -0.003 4.347 4.350 -0.000 0.000 0.271 174 T C 1.629 176.066 174.700 -0.439 0.000 1.105 174 T CA 1.079 63.009 62.100 -0.283 0.000 1.116 174 T CB -0.188 68.517 68.868 -0.273 0.000 0.878 174 T HN 0.373 nan 8.240 nan 0.000 0.509 175 L N 0.811 121.801 121.223 -0.387 0.000 2.200 175 L HA -0.021 4.318 4.340 -0.000 0.000 0.200 175 L C 2.837 179.641 176.870 -0.110 0.000 1.072 175 L CA 1.321 55.934 54.840 -0.379 0.000 0.787 175 L CB -0.559 41.069 42.059 -0.719 0.000 0.957 175 L HN 0.364 nan 8.230 nan 0.000 0.459 176 T N -2.559 111.930 114.554 -0.108 0.000 2.821 176 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 176 T C 1.915 176.644 174.700 0.049 0.000 1.046 176 T CA 0.936 63.043 62.100 0.013 0.000 1.139 176 T CB -0.325 68.510 68.868 -0.054 0.000 0.871 176 T HN 0.208 nan 8.240 nan 0.000 0.454 177 R N 0.381 120.876 120.500 -0.009 0.000 2.103 177 R HA -0.010 4.330 4.340 -0.000 0.000 0.234 177 R C 2.309 178.690 176.300 0.135 0.000 1.132 177 R CA 2.043 58.122 56.100 -0.034 0.000 0.925 177 R CB -0.615 29.774 30.300 0.149 0.000 0.842 177 R HN 0.495 nan 8.270 nan 0.000 0.430 178 F N -0.591 119.410 119.950 0.086 0.000 2.154 178 F HA -0.294 4.233 4.527 -0.000 0.000 0.301 178 F C 2.248 178.170 175.800 0.203 0.000 1.087 178 F CA 0.641 58.747 58.000 0.176 0.000 1.274 178 F CB -0.324 38.724 39.000 0.080 0.000 1.009 178 F HN 0.174 nan 8.300 nan 0.000 0.485 179 F N 0.840 120.928 119.950 0.229 0.000 2.069 179 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 179 F C 2.465 178.399 175.800 0.222 0.000 1.113 179 F CA 1.364 59.495 58.000 0.220 0.000 1.214 179 F CB -0.391 38.748 39.000 0.231 0.000 0.978 179 F HN -0.080 nan 8.300 nan 0.000 0.474 180 A N 0.562 123.330 122.820 -0.087 0.000 1.865 180 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 180 A C 1.961 179.451 177.584 -0.156 0.000 1.191 180 A CA 2.018 53.883 52.037 -0.288 0.000 0.623 180 A CB -1.526 17.242 19.000 -0.388 0.000 0.826 180 A HN 0.454 nan 8.150 nan 0.000 0.444 181 F N -0.758 119.229 119.950 0.061 0.000 2.134 181 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 181 F C 2.243 178.071 175.800 0.048 0.000 1.097 181 F CA 1.544 59.570 58.000 0.043 0.000 1.264 181 F CB -1.271 37.736 39.000 0.012 0.000 1.001 181 F HN 0.502 nan 8.300 nan 0.000 0.479 182 H N -1.421 117.735 119.070 0.143 0.000 2.543 182 H HA -0.168 4.388 4.556 -0.000 0.000 0.286 182 H C 1.838 177.154 175.328 -0.022 0.000 1.037 182 H CA 1.180 57.259 56.048 0.051 0.000 1.250 182 H CB -0.241 29.571 29.762 0.082 0.000 1.373 182 H HN 0.177 nan 8.280 nan 0.000 0.580 183 F N -0.600 119.244 119.950 -0.176 0.000 2.274 183 F HA 0.091 4.618 4.527 -0.000 0.000 0.288 183 F C 2.175 177.877 175.800 -0.163 0.000 1.069 183 F CA 0.641 58.487 58.000 -0.257 0.000 1.343 183 F CB -0.309 38.470 39.000 -0.367 0.000 1.089 183 F HN 0.213 nan 8.300 nan 0.000 0.517 184 I N -0.559 120.164 120.570 0.256 0.000 2.617 184 I HA -0.182 3.988 4.170 -0.000 0.000 0.256 184 I C 2.066 178.264 176.117 0.134 0.000 1.167 184 I CA 0.682 62.151 61.300 0.283 0.000 1.469 184 I CB -0.103 38.041 38.000 0.241 0.000 1.098 184 I HN 0.131 nan 8.210 nan 0.000 0.436 185 L N 1.497 122.742 121.223 0.036 0.000 2.042 185 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 185 L C -0.529 176.267 176.870 -0.123 0.000 1.076 185 L CA 1.666 56.490 54.840 -0.026 0.000 0.749 185 L CB -1.715 40.327 42.059 -0.029 0.000 0.893 185 L HN 0.232 nan 8.230 nan 0.000 0.432 186 P HA -0.129 nan 4.420 nan 0.000 0.226 186 P C 1.191 178.302 177.300 -0.316 0.000 1.153 186 P CA 1.313 64.197 63.100 -0.360 0.000 0.777 186 P CB 0.017 31.388 31.700 -0.548 0.000 0.794 187 F N -1.031 118.930 119.950 0.018 0.000 2.219 187 F HA 0.002 4.529 4.527 -0.000 0.000 0.294 187 F C 2.233 178.051 175.800 0.030 0.000 1.086 187 F CA 0.522 58.542 58.000 0.034 0.000 1.330 187 F CB -0.663 38.372 39.000 0.059 0.000 1.047 187 F HN -0.235 nan 8.300 nan 0.000 0.495 188 I N 0.163 120.842 120.570 0.182 0.000 2.286 188 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 188 I C 2.266 178.420 176.117 0.062 0.000 1.115 188 I CA 1.307 62.672 61.300 0.109 0.000 1.392 188 I CB -0.576 37.475 38.000 0.084 0.000 1.065 188 I HN 0.140 nan 8.210 nan 0.000 0.418 189 I N 0.470 121.053 120.570 0.021 0.000 2.091 189 I HA -0.392 3.778 4.170 -0.000 0.000 0.239 189 I C 2.780 178.914 176.117 0.027 0.000 1.061 189 I CA 1.895 63.192 61.300 -0.005 0.000 1.317 189 I CB -0.260 37.716 38.000 -0.039 0.000 1.031 189 I HN 0.281 nan 8.210 nan 0.000 0.401 190 M N 0.221 119.853 119.600 0.054 0.000 2.106 190 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 190 M C 2.370 178.721 176.300 0.084 0.000 1.068 190 M CA 2.297 57.645 55.300 0.079 0.000 1.100 190 M CB -0.163 32.509 32.600 0.119 0.000 1.351 190 M HN 0.350 nan 8.290 nan 0.000 0.404 191 A N 0.331 123.207 122.820 0.093 0.000 1.877 191 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 191 A C 1.936 179.562 177.584 0.070 0.000 1.186 191 A CA 1.643 53.727 52.037 0.079 0.000 0.620 191 A CB -0.993 18.053 19.000 0.077 0.000 0.822 191 A HN 0.580 nan 8.150 nan 0.000 0.443 192 I N -0.152 120.456 120.570 0.063 0.000 2.335 192 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 192 I C 2.807 178.970 176.117 0.076 0.000 1.129 192 I CA 0.987 62.325 61.300 0.063 0.000 1.402 192 I CB -0.169 37.851 38.000 0.034 0.000 1.069 192 I HN 0.378 nan 8.210 nan 0.000 0.424 193 A N 0.126 122.981 122.820 0.059 0.000 2.014 193 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 193 A C 2.312 179.976 177.584 0.133 0.000 1.163 193 A CA 1.076 53.162 52.037 0.081 0.000 0.652 193 A CB -0.406 18.621 19.000 0.045 0.000 0.808 193 A HN 0.329 nan 8.150 nan 0.000 0.449 194 M N -0.765 118.893 119.600 0.097 0.000 2.175 194 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 194 M C 1.878 178.214 176.300 0.060 0.000 1.063 194 M CA 1.142 56.487 55.300 0.076 0.000 1.119 194 M CB -0.226 32.410 32.600 0.061 0.000 1.377 194 M HN 0.232 nan 8.290 nan 0.000 0.415 195 V N -0.837 119.129 119.914 0.087 0.000 2.809 195 V HA -0.230 3.890 4.120 -0.000 0.000 0.256 195 V C 2.123 178.347 176.094 0.216 0.000 1.080 195 V CA 1.698 64.051 62.300 0.087 0.000 1.102 195 V CB -1.008 30.893 31.823 0.130 0.000 0.705 195 V HN 0.444 nan 8.190 nan 0.000 0.475 196 H N -0.006 119.127 119.070 0.105 0.000 2.299 196 H HA -0.113 4.443 4.556 -0.000 0.000 0.302 196 H C 1.945 177.304 175.328 0.050 0.000 1.078 196 H CA 1.785 57.904 56.048 0.119 0.000 1.323 196 H CB -0.150 29.656 29.762 0.074 0.000 1.381 196 H HN 0.212 nan 8.280 nan 0.000 0.498 197 L N -0.020 121.196 121.223 -0.012 0.000 2.093 197 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 197 L C 2.373 179.046 176.870 -0.328 0.000 1.085 197 L CA 1.214 55.888 54.840 -0.277 0.000 0.755 197 L CB -1.170 40.772 42.059 -0.195 0.000 0.904 197 L HN 0.392 nan 8.230 nan 0.000 0.435 198 L N -1.281 119.856 121.223 -0.143 0.000 1.970 198 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 198 L C 2.330 179.104 176.870 -0.160 0.000 1.071 198 L CA 1.972 56.719 54.840 -0.155 0.000 0.751 198 L CB -0.996 40.922 42.059 -0.234 0.000 0.889 198 L HN 0.134 nan 8.230 nan 0.000 0.432 199 F N -0.897 118.991 119.950 -0.103 0.000 2.171 199 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 199 F C 2.302 177.973 175.800 -0.215 0.000 1.090 199 F CA 1.546 59.477 58.000 -0.116 0.000 1.293 199 F CB -0.854 38.106 39.000 -0.066 0.000 1.013 199 F HN 0.172 nan 8.300 nan 0.000 0.486 200 L N -0.329 120.829 121.223 -0.109 0.000 2.046 200 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 200 L C 2.168 178.901 176.870 -0.228 0.000 1.077 200 L CA 2.024 56.698 54.840 -0.276 0.000 0.747 200 L CB -0.972 40.870 42.059 -0.361 0.000 0.896 200 L HN 0.216 nan 8.230 nan 0.000 0.432 201 H N -1.123 117.864 119.070 -0.138 0.000 2.543 201 H HA -0.070 4.486 4.556 -0.000 0.000 0.286 201 H C 1.758 177.009 175.328 -0.129 0.000 1.037 201 H CA 0.545 56.510 56.048 -0.139 0.000 1.250 201 H CB 0.302 29.973 29.762 -0.153 0.000 1.373 201 H HN 0.409 nan 8.280 nan 0.000 0.580 202 E N -0.007 120.179 120.200 -0.023 0.000 2.110 202 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 202 E C 2.260 178.810 176.600 -0.083 0.000 0.988 202 E CA 1.793 58.168 56.400 -0.041 0.000 0.804 202 E CB -0.009 29.683 29.700 -0.013 0.000 0.745 202 E HN 0.634 nan 8.360 nan 0.000 0.458 203 T N -3.340 111.100 114.554 -0.190 0.000 2.978 203 T HA 0.395 4.745 4.350 -0.000 0.000 0.248 203 T C 1.000 175.638 174.700 -0.102 0.000 1.018 203 T CA 0.585 62.560 62.100 -0.208 0.000 1.026 203 T CB 0.848 69.376 68.868 -0.566 0.000 1.032 203 T HN 0.289 nan 8.240 nan 0.000 0.485 204 G N 0.996 109.745 108.800 -0.084 0.000 2.757 204 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.638 204 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.638 204 G C -0.445 174.504 174.900 0.082 0.000 1.344 204 G CA -0.465 44.658 45.100 0.038 0.000 0.855 204 G HN 0.589 nan 8.290 nan 0.000 0.537 205 S N -0.146 115.651 115.700 0.162 0.000 2.592 205 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 205 S C 1.015 175.800 174.600 0.308 0.000 1.326 205 S CA -0.008 58.358 58.200 0.277 0.000 1.024 205 S CB 1.051 64.376 63.200 0.208 0.000 0.921 205 S HN 0.819 nan 8.310 nan 0.000 0.527 206 N N 0.834 119.802 118.700 0.447 0.000 2.418 206 N HA 0.250 4.990 4.740 -0.000 0.000 0.283 206 N C -0.528 175.059 175.510 0.128 0.000 1.267 206 N CA -0.398 52.815 53.050 0.272 0.000 0.975 206 N CB 0.478 39.065 38.487 0.166 0.000 1.167 206 N HN 0.827 nan 8.380 nan 0.000 0.581 207 N N -1.953 116.749 118.700 0.002 0.000 2.732 207 N HA 0.396 5.136 4.740 -0.000 0.000 0.259 207 N C -2.662 172.713 175.510 -0.225 0.000 1.402 207 N CA -1.095 51.704 53.050 -0.419 0.000 0.829 207 N CB 1.766 40.042 38.487 -0.352 0.000 1.495 207 N HN 0.123 nan 8.380 nan 0.000 0.511 208 P HA -0.208 nan 4.420 nan 0.000 0.217 208 P C 1.001 178.386 177.300 0.142 0.000 1.151 208 P CA 2.248 65.303 63.100 -0.076 0.000 0.849 208 P CB -0.123 31.534 31.700 -0.072 0.000 0.787 209 T N -5.515 109.048 114.554 0.015 0.000 3.088 209 T HA 0.191 4.541 4.350 -0.000 0.000 0.259 209 T C 1.703 176.431 174.700 0.046 0.000 1.122 209 T CA 0.757 62.850 62.100 -0.011 0.000 1.095 209 T CB -1.140 67.805 68.868 0.129 0.000 0.930 209 T HN 0.252 nan 8.240 nan 0.000 0.508 210 G N 1.344 110.181 108.800 0.062 0.000 2.196 210 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.268 210 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.268 210 G C 0.085 175.011 174.900 0.043 0.000 0.975 210 G CA 0.461 45.584 45.100 0.038 0.000 0.648 210 G HN 0.682 nan 8.290 nan 0.000 0.538 211 I N 1.242 121.860 120.570 0.080 0.000 2.499 211 I HA 0.406 4.576 4.170 -0.000 0.000 0.296 211 I C 1.241 177.385 176.117 0.045 0.000 0.992 211 I CA -0.338 61.010 61.300 0.079 0.000 1.297 211 I CB 1.644 39.715 38.000 0.119 0.000 1.410 211 I HN 0.185 nan 8.210 nan 0.000 0.507 212 S N 3.137 118.860 115.700 0.038 0.000 2.558 212 S HA 0.013 4.483 4.470 -0.000 0.000 0.288 212 S C 0.925 175.543 174.600 0.029 0.000 1.318 212 S CA -0.042 58.179 58.200 0.035 0.000 1.056 212 S CB 0.514 63.735 63.200 0.035 0.000 0.853 212 S HN 0.743 nan 8.310 nan 0.000 0.505 213 S N 2.217 117.931 115.700 0.023 0.000 2.578 213 S HA 0.195 4.665 4.470 -0.000 0.000 0.231 213 S C 0.693 175.302 174.600 0.015 0.000 0.994 213 S CA -0.356 57.851 58.200 0.011 0.000 0.956 213 S CB 0.056 63.248 63.200 -0.012 0.000 0.870 213 S HN 0.724 nan 8.310 nan 0.000 0.494 214 D N 2.222 122.635 120.400 0.023 0.000 2.239 214 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 214 D C 1.595 177.905 176.300 0.017 0.000 0.993 214 D CA 0.731 54.745 54.000 0.023 0.000 0.874 214 D CB -0.191 40.623 40.800 0.024 0.000 0.922 214 D HN 0.339 nan 8.370 nan 0.000 0.464 215 V N -0.023 119.900 119.914 0.015 0.000 3.217 215 V HA -0.103 4.017 4.120 -0.000 0.000 0.264 215 V C 0.384 176.481 176.094 0.005 0.000 1.135 215 V CA 0.927 63.233 62.300 0.011 0.000 1.142 215 V CB 0.053 31.883 31.823 0.013 0.000 0.754 215 V HN 0.028 nan 8.190 nan 0.000 0.484 216 D N 0.014 120.415 120.400 0.003 0.000 2.968 216 D HA 0.178 4.818 4.640 -0.000 0.000 0.301 216 D C -0.293 176.003 176.300 -0.007 0.000 1.226 216 D CA -0.291 53.704 54.000 -0.008 0.000 0.746 216 D CB 0.220 41.011 40.800 -0.016 0.000 1.278 216 D HN -0.035 nan 8.370 nan 0.000 0.544 217 K N 0.882 121.287 120.400 0.009 0.000 2.118 217 K HA 0.577 4.897 4.320 -0.000 0.000 0.267 217 K C 0.445 177.065 176.600 0.033 0.000 0.991 217 K CA -0.642 55.663 56.287 0.029 0.000 0.916 217 K CB 1.586 34.112 32.500 0.043 0.000 1.041 217 K HN 0.516 nan 8.250 nan 0.000 0.455 218 I N -1.205 119.403 120.570 0.064 0.000 2.785 218 I HA 0.575 4.745 4.170 -0.000 0.000 0.302 218 I C -2.641 173.589 176.117 0.189 0.000 1.069 218 I CA -2.949 58.396 61.300 0.075 0.000 1.045 218 I CB 2.482 40.429 38.000 -0.088 0.000 1.236 218 I HN 0.208 nan 8.210 nan 0.000 0.429 219 P HA 0.110 nan 4.420 nan 0.000 0.271 219 P C 0.114 177.617 177.300 0.339 0.000 1.216 219 P CA -0.026 63.226 63.100 0.254 0.000 0.776 219 P CB 0.580 32.400 31.700 0.199 0.000 0.881 220 F N 1.734 121.834 119.950 0.249 0.000 2.171 220 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 220 F C 1.244 177.201 175.800 0.262 0.000 1.090 220 F CA 1.423 59.624 58.000 0.335 0.000 1.293 220 F CB -0.235 38.942 39.000 0.296 0.000 1.013 220 F HN 0.373 nan 8.300 nan 0.000 0.486 221 H N 0.374 119.595 119.070 0.252 0.000 2.457 221 H HA 0.309 4.865 4.556 -0.000 0.000 0.335 221 H C -2.152 173.116 175.328 -0.100 0.000 1.115 221 H CA -2.561 53.524 56.048 0.062 0.000 1.219 221 H CB 1.591 31.431 29.762 0.131 0.000 1.471 221 H HN -0.191 nan 8.280 nan 0.000 0.491 222 P HA 0.025 nan 4.420 nan 0.000 0.261 222 P C 0.346 177.234 177.300 -0.688 0.000 1.268 222 P CA 0.442 62.952 63.100 -0.983 0.000 0.833 222 P CB 0.199 31.323 31.700 -0.960 0.000 1.231 223 Y N -0.816 119.218 120.300 -0.443 0.000 2.109 223 Y HA -0.146 4.404 4.550 -0.000 0.000 0.285 223 Y C 1.742 177.178 175.900 -0.773 0.000 1.131 223 Y CA 1.532 59.250 58.100 -0.636 0.000 1.121 223 Y CB -1.515 36.447 38.460 -0.830 0.000 0.987 223 Y HN -0.072 nan 8.280 nan 0.000 0.495 224 Y N -0.187 119.893 120.300 -0.366 0.000 2.466 224 Y HA 0.034 4.584 4.550 -0.000 0.000 0.272 224 Y C 2.158 177.680 175.900 -0.629 0.000 1.169 224 Y CA 0.410 58.108 58.100 -0.670 0.000 1.285 224 Y CB -0.999 36.743 38.460 -1.198 0.000 1.078 224 Y HN 0.214 nan 8.280 nan 0.000 0.523 225 T N -2.656 111.755 114.554 -0.239 0.000 2.901 225 T HA -0.063 4.287 4.350 -0.000 0.000 0.252 225 T C 1.949 176.654 174.700 0.008 0.000 1.035 225 T CA 0.743 62.884 62.100 0.068 0.000 1.142 225 T CB -0.419 68.607 68.868 0.264 0.000 0.869 225 T HN 0.348 nan 8.240 nan 0.000 0.442 226 I N 1.231 121.753 120.570 -0.080 0.000 2.353 226 I HA -0.010 4.160 4.170 -0.000 0.000 0.248 226 I C 2.676 178.765 176.117 -0.046 0.000 1.119 226 I CA 1.156 62.415 61.300 -0.068 0.000 1.417 226 I CB -0.131 37.805 38.000 -0.107 0.000 1.078 226 I HN 0.190 nan 8.210 nan 0.000 0.421 227 K N 0.480 120.850 120.400 -0.051 0.000 2.209 227 K HA -0.238 4.082 4.320 -0.000 0.000 0.204 227 K C 1.410 178.030 176.600 0.033 0.000 1.048 227 K CA 1.877 58.169 56.287 0.008 0.000 0.940 227 K CB -0.001 32.544 32.500 0.076 0.000 0.729 227 K HN 0.266 nan 8.250 nan 0.000 0.451 228 D N 0.464 120.894 120.400 0.049 0.000 2.194 228 D HA -0.021 4.619 4.640 -0.000 0.000 0.204 228 D C 1.751 178.066 176.300 0.025 0.000 0.964 228 D CA 0.672 54.712 54.000 0.068 0.000 0.846 228 D CB 0.113 41.008 40.800 0.158 0.000 0.962 228 D HN 0.216 nan 8.370 nan 0.000 0.490 229 I N 0.305 120.885 120.570 0.016 0.000 2.142 229 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 229 I C 2.283 178.389 176.117 -0.018 0.000 1.078 229 I CA 0.628 61.927 61.300 -0.002 0.000 1.343 229 I CB -0.151 37.846 38.000 -0.005 0.000 1.046 229 I HN 0.059 nan 8.210 nan 0.000 0.405 230 L N 1.307 122.517 121.223 -0.022 0.000 2.013 230 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 230 L C 2.215 179.061 176.870 -0.041 0.000 1.073 230 L CA 2.407 57.230 54.840 -0.028 0.000 0.753 230 L CB -1.257 40.785 42.059 -0.028 0.000 0.890 230 L HN 0.195 nan 8.230 nan 0.000 0.432 231 G N -1.750 107.018 108.800 -0.053 0.000 2.559 231 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.216 231 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.216 231 G C 1.423 176.266 174.900 -0.094 0.000 1.126 231 G CA 0.617 45.661 45.100 -0.094 0.000 0.778 231 G HN 0.675 nan 8.290 nan 0.000 0.543 232 A N 0.220 123.003 122.820 -0.061 0.000 1.943 232 A HA 0.289 4.609 4.320 -0.000 0.000 0.213 232 A C 2.168 179.727 177.584 -0.041 0.000 1.181 232 A CA 0.931 52.934 52.037 -0.056 0.000 0.653 232 A CB -0.264 18.711 19.000 -0.042 0.000 0.833 232 A HN 0.333 nan 8.150 nan 0.000 0.451 233 L N 0.168 121.371 121.223 -0.033 0.000 2.042 233 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 233 L C 2.248 179.108 176.870 -0.017 0.000 1.076 233 L CA 1.668 56.495 54.840 -0.022 0.000 0.749 233 L CB -0.449 41.599 42.059 -0.019 0.000 0.893 233 L HN 0.408 nan 8.230 nan 0.000 0.432 234 L N -1.391 119.816 121.223 -0.027 0.000 2.046 234 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 234 L C 2.488 179.353 176.870 -0.008 0.000 1.077 234 L CA 1.269 56.097 54.840 -0.020 0.000 0.747 234 L CB -0.684 41.350 42.059 -0.040 0.000 0.896 234 L HN 0.350 nan 8.230 nan 0.000 0.432 235 L N -0.445 120.764 121.223 -0.023 0.000 2.191 235 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 235 L C 2.307 179.184 176.870 0.013 0.000 1.103 235 L CA 1.489 56.327 54.840 -0.004 0.000 0.769 235 L CB -0.247 41.793 42.059 -0.031 0.000 0.908 235 L HN 0.096 nan 8.230 nan 0.000 0.438 236 I N -1.045 119.527 120.570 0.003 0.000 2.353 236 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 236 I C 2.304 178.440 176.117 0.032 0.000 1.119 236 I CA 0.859 62.166 61.300 0.012 0.000 1.417 236 I CB -1.199 36.799 38.000 -0.003 0.000 1.078 236 I HN 0.320 nan 8.210 nan 0.000 0.421 237 L N 1.567 122.810 121.223 0.033 0.000 1.955 237 L HA -0.139 4.201 4.340 -0.000 0.000 0.213 237 L C 2.654 179.567 176.870 0.072 0.000 1.072 237 L CA 2.381 57.252 54.840 0.053 0.000 0.755 237 L CB -1.328 40.756 42.059 0.042 0.000 0.888 237 L HN 0.214 nan 8.230 nan 0.000 0.432 238 A N -0.447 122.412 122.820 0.064 0.000 1.859 238 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 238 A C 2.316 179.957 177.584 0.095 0.000 1.209 238 A CA 2.482 54.567 52.037 0.080 0.000 0.639 238 A CB -1.400 17.648 19.000 0.080 0.000 0.835 238 A HN 0.540 nan 8.150 nan 0.000 0.450 239 L N -0.948 120.328 121.223 0.087 0.000 1.997 239 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 239 L C 2.449 179.380 176.870 0.101 0.000 1.074 239 L CA 2.510 57.409 54.840 0.097 0.000 0.763 239 L CB -0.419 41.686 42.059 0.077 0.000 0.890 239 L HN 0.398 nan 8.230 nan 0.000 0.434 240 M N -1.617 118.034 119.600 0.085 0.000 2.296 240 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 240 M C 2.172 178.542 176.300 0.117 0.000 1.064 240 M CA 1.039 56.387 55.300 0.081 0.000 1.109 240 M CB -1.104 31.527 32.600 0.053 0.000 1.396 240 M HN 0.295 nan 8.290 nan 0.000 0.430 241 L N 0.200 121.523 121.223 0.166 0.000 2.046 241 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 241 L C 2.195 179.218 176.870 0.253 0.000 1.077 241 L CA 1.520 56.525 54.840 0.275 0.000 0.747 241 L CB -1.202 40.976 42.059 0.198 0.000 0.896 241 L HN 0.167 nan 8.230 nan 0.000 0.432 242 L N -1.054 120.269 121.223 0.167 0.000 1.973 242 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 242 L C 2.706 179.654 176.870 0.131 0.000 1.073 242 L CA 1.991 56.917 54.840 0.143 0.000 0.746 242 L CB -1.522 40.614 42.059 0.129 0.000 0.891 242 L HN 0.263 nan 8.230 nan 0.000 0.433 243 V N -1.392 118.604 119.914 0.137 0.000 2.392 243 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 243 V C 2.024 178.197 176.094 0.133 0.000 1.059 243 V CA 1.762 64.159 62.300 0.162 0.000 1.051 243 V CB -0.465 31.499 31.823 0.235 0.000 0.658 243 V HN 0.410 nan 8.190 nan 0.000 0.455 244 L N -2.082 119.159 121.223 0.031 0.000 2.592 244 L HA 0.322 4.662 4.340 -0.000 0.000 0.227 244 L C 1.677 178.283 176.870 -0.440 0.000 1.127 244 L CA 0.482 55.215 54.840 -0.179 0.000 0.884 244 L CB 0.008 41.857 42.059 -0.350 0.000 1.065 244 L HN 0.343 nan 8.230 nan 0.000 0.457 245 F N -1.235 118.759 119.950 0.073 0.000 2.411 245 F HA 0.346 4.873 4.527 -0.000 0.000 0.286 245 F C 1.269 177.076 175.800 0.013 0.000 0.858 245 F CA -0.171 57.853 58.000 0.039 0.000 1.080 245 F CB 0.078 39.099 39.000 0.035 0.000 0.961 245 F HN -0.241 nan 8.300 nan 0.000 0.742 246 A N 0.534 123.476 122.820 0.203 0.000 3.201 246 A HA 0.503 4.823 4.320 -0.000 0.000 0.312 246 A C -2.006 175.594 177.584 0.027 0.000 1.011 246 A CA -1.007 51.085 52.037 0.092 0.000 0.987 246 A CB -0.635 18.414 19.000 0.081 0.000 1.060 246 A HN 0.015 nan 8.150 nan 0.000 0.505 247 P HA -0.174 nan 4.420 nan 0.000 0.216 247 P C 0.574 177.781 177.300 -0.154 0.000 1.150 247 P CA 1.403 64.401 63.100 -0.169 0.000 0.843 247 P CB 0.249 31.681 31.700 -0.447 0.000 0.787 248 D N -1.705 118.628 120.400 -0.113 0.000 2.349 248 D HA 0.066 4.706 4.640 -0.000 0.000 0.214 248 D C 1.848 178.154 176.300 0.010 0.000 1.063 248 D CA -0.071 53.899 54.000 -0.050 0.000 0.847 248 D CB -0.045 40.687 40.800 -0.112 0.000 0.933 248 D HN 0.126 nan 8.370 nan 0.000 0.513 249 L N 0.648 121.878 121.223 0.012 0.000 2.064 249 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 249 L C 1.998 178.895 176.870 0.045 0.000 1.077 249 L CA 1.406 56.260 54.840 0.023 0.000 0.766 249 L CB -0.000 42.070 42.059 0.019 0.000 0.890 249 L HN 0.045 nan 8.230 nan 0.000 0.435 250 L N -1.209 120.062 121.223 0.080 0.000 2.592 250 L HA 0.218 4.558 4.340 -0.000 0.000 0.227 250 L C 0.994 177.985 176.870 0.203 0.000 1.127 250 L CA -0.054 54.866 54.840 0.132 0.000 0.884 250 L CB -0.263 41.908 42.059 0.186 0.000 1.065 250 L HN 0.234 nan 8.230 nan 0.000 0.457 251 G N -1.020 107.878 108.800 0.164 0.000 2.389 251 G HA2 0.252 4.212 3.960 -0.000 0.000 0.328 251 G HA3 0.252 4.212 3.960 -0.000 0.000 0.328 251 G C -1.054 173.943 174.900 0.161 0.000 1.133 251 G CA -0.422 44.790 45.100 0.187 0.000 0.891 251 G HN -0.171 nan 8.290 nan 0.000 0.485 252 D N 1.468 121.984 120.400 0.193 0.000 2.389 252 D HA 0.185 4.825 4.640 -0.000 0.000 0.247 252 D C -1.152 175.231 176.300 0.138 0.000 1.128 252 D CA -1.250 52.846 54.000 0.160 0.000 0.884 252 D CB 2.234 43.136 40.800 0.170 0.000 1.194 252 D HN 0.034 nan 8.370 nan 0.000 0.441 253 P HA -0.038 nan 4.420 nan 0.000 0.225 253 P C 0.806 178.163 177.300 0.095 0.000 1.156 253 P CA 0.393 63.497 63.100 0.007 0.000 0.787 253 P CB 0.481 32.159 31.700 -0.038 0.000 0.802 254 D N -0.838 119.583 120.400 0.036 0.000 2.219 254 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 254 D C 1.540 177.927 176.300 0.146 0.000 0.970 254 D CA 0.850 54.869 54.000 0.032 0.000 0.851 254 D CB -0.608 40.112 40.800 -0.134 0.000 0.943 254 D HN -0.021 nan 8.370 nan 0.000 0.488 255 N N -0.960 117.867 118.700 0.212 0.000 2.521 255 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 255 N C 0.560 176.232 175.510 0.271 0.000 1.146 255 N CA 0.273 53.446 53.050 0.205 0.000 0.893 255 N CB -0.124 38.475 38.487 0.187 0.000 0.975 255 N HN 0.158 nan 8.380 nan 0.000 0.451 256 Y N -0.347 120.061 120.300 0.181 0.000 2.490 256 Y HA 0.113 4.663 4.550 -0.000 0.000 0.281 256 Y C 0.489 176.641 175.900 0.419 0.000 1.174 256 Y CA 0.218 58.490 58.100 0.288 0.000 1.295 256 Y CB -0.156 38.424 38.460 0.201 0.000 1.062 256 Y HN -0.039 nan 8.280 nan 0.000 0.522 257 T N -1.422 113.369 114.554 0.394 0.000 2.772 257 T HA 0.410 4.760 4.350 -0.000 0.000 0.288 257 T C -2.883 171.903 174.700 0.143 0.000 0.994 257 T CA -2.863 59.349 62.100 0.188 0.000 0.951 257 T CB 1.790 70.718 68.868 0.100 0.000 0.933 257 T HN -0.242 nan 8.240 nan 0.000 0.447 258 P HA 0.183 nan 4.420 nan 0.000 0.263 258 P C 0.357 177.601 177.300 -0.093 0.000 1.175 258 P CA 0.079 63.097 63.100 -0.135 0.000 0.761 258 P CB 0.091 31.545 31.700 -0.410 0.000 0.794 259 A N 3.485 126.212 122.820 -0.156 0.000 2.577 259 A HA 0.071 4.391 4.320 -0.000 0.000 0.233 259 A C 0.608 177.950 177.584 -0.403 0.000 1.076 259 A CA 0.631 52.414 52.037 -0.423 0.000 0.767 259 A CB -0.295 18.123 19.000 -0.970 0.000 1.017 259 A HN 0.681 nan 8.150 nan 0.000 0.511 260 N N 1.497 119.885 118.700 -0.521 0.000 2.699 260 N HA 0.190 4.930 4.740 -0.000 0.000 0.271 260 N C -2.562 172.646 175.510 -0.504 0.000 1.216 260 N CA -1.055 51.766 53.050 -0.381 0.000 0.844 260 N CB 1.830 40.243 38.487 -0.125 0.000 1.462 260 N HN 0.268 nan 8.380 nan 0.000 0.555 261 P HA -0.065 nan 4.420 nan 0.000 0.226 261 P C 0.908 178.181 177.300 -0.046 0.000 1.146 261 P CA 0.854 63.492 63.100 -0.771 0.000 0.773 261 P CB 0.481 31.845 31.700 -0.560 0.000 0.772 262 L N -3.034 118.224 121.223 0.058 0.000 2.609 262 L HA 0.233 4.573 4.340 -0.000 0.000 0.230 262 L C 2.396 179.372 176.870 0.177 0.000 1.087 262 L CA -0.006 54.918 54.840 0.140 0.000 0.874 262 L CB -1.077 41.007 42.059 0.042 0.000 1.114 262 L HN -0.147 nan 8.230 nan 0.000 0.488 263 N N 1.295 120.120 118.700 0.209 0.000 2.006 263 N HA -0.131 4.609 4.740 -0.000 0.000 0.196 263 N C -0.077 175.407 175.510 -0.044 0.000 1.070 263 N CA 2.065 55.185 53.050 0.117 0.000 0.859 263 N CB -0.043 38.530 38.487 0.142 0.000 1.060 263 N HN 0.278 nan 8.380 nan 0.000 0.424 264 T N 1.077 115.454 114.554 -0.295 0.000 2.422 264 T HA -0.064 4.286 4.350 -0.000 0.000 0.524 264 T C -2.639 171.748 174.700 -0.522 0.000 0.835 264 T CA -0.430 61.071 62.100 -0.998 0.000 2.787 264 T CB -1.016 67.380 68.868 -0.787 0.000 1.749 264 T HN 0.277 nan 8.240 nan 0.000 0.524 265 P HA 0.269 nan 4.420 nan 0.000 0.272 265 P C -1.532 175.686 177.300 -0.137 0.000 1.230 265 P CA -1.333 61.650 63.100 -0.194 0.000 0.788 265 P CB 0.383 32.013 31.700 -0.117 0.000 0.949 266 P HA -0.105 nan 4.420 nan 0.000 0.221 266 P C 1.409 178.742 177.300 0.056 0.000 1.155 266 P CA 1.079 64.175 63.100 -0.006 0.000 0.812 266 P CB -0.232 31.477 31.700 0.015 0.000 0.801 267 H N 1.251 120.306 119.070 -0.025 0.000 2.321 267 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 267 H C 0.922 176.262 175.328 0.021 0.000 1.087 267 H CA 0.698 56.751 56.048 0.007 0.000 1.319 267 H CB -1.002 28.771 29.762 0.018 0.000 1.379 267 H HN -0.056 nan 8.280 nan 0.000 0.501 268 I N 2.351 123.124 120.570 0.338 0.000 2.755 268 I HA -0.342 3.828 4.170 -0.000 0.000 0.126 268 I C -0.131 176.050 176.117 0.106 0.000 0.885 268 I CA 1.147 62.570 61.300 0.205 0.000 2.786 268 I CB -0.232 37.807 38.000 0.064 0.000 0.577 268 I HN 0.514 nan 8.210 nan 0.000 0.352 269 K N 5.989 126.452 120.400 0.104 0.000 2.443 269 K HA 0.832 5.152 4.320 -0.000 0.000 0.251 269 K C -2.943 173.567 176.600 -0.149 0.000 0.972 269 K CA -1.857 54.368 56.287 -0.104 0.000 0.833 269 K CB 1.635 34.116 32.500 -0.032 0.000 1.317 269 K HN -0.067 nan 8.250 nan 0.000 0.441 270 P HA 0.133 nan 4.420 nan 0.000 0.282 270 P C -0.756 176.354 177.300 -0.316 0.000 1.287 270 P CA -0.590 62.316 63.100 -0.324 0.000 0.792 270 P CB 0.419 31.853 31.700 -0.443 0.000 1.163 271 E N 0.624 120.482 120.200 -0.570 0.000 2.418 271 E HA -0.075 4.275 4.350 -0.000 0.000 0.261 271 E C 1.462 177.685 176.600 -0.629 0.000 1.070 271 E CA 0.065 56.013 56.400 -0.754 0.000 0.931 271 E CB 0.102 28.991 29.700 -1.353 0.000 0.954 271 E HN 0.664 nan 8.360 nan 0.000 0.439 272 W N 4.610 125.653 121.300 -0.428 0.000 2.290 272 W HA -0.313 4.347 4.660 -0.000 0.000 0.311 272 W C 1.225 177.710 176.519 -0.056 0.000 1.238 272 W CA 1.445 58.695 57.345 -0.159 0.000 1.255 272 W CB -1.128 28.315 29.460 -0.028 0.000 1.145 272 W HN 0.627 nan 8.180 nan 0.000 0.506 273 Y N -2.148 117.516 120.300 -1.060 0.000 2.688 273 Y HA 0.179 4.729 4.550 -0.000 0.000 0.311 273 Y C 1.160 176.764 175.900 -0.493 0.000 1.185 273 Y CA 0.374 57.825 58.100 -1.081 0.000 1.336 273 Y CB -1.625 35.672 38.460 -1.937 0.000 1.015 273 Y HN -0.129 nan 8.280 nan 0.000 0.522 274 F N -1.304 118.543 119.950 -0.171 0.000 2.817 274 F HA 0.241 4.768 4.527 -0.000 0.000 0.333 274 F C 1.641 177.375 175.800 -0.110 0.000 1.085 274 F CA -0.406 57.529 58.000 -0.108 0.000 1.170 274 F CB 0.135 38.994 39.000 -0.235 0.000 1.066 274 F HN -0.031 nan 8.300 nan 0.000 0.564 275 L N 0.260 121.591 121.223 0.180 0.000 2.021 275 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 275 L C 2.670 179.615 176.870 0.126 0.000 1.074 275 L CA 2.081 57.033 54.840 0.187 0.000 0.760 275 L CB -1.005 41.182 42.059 0.214 0.000 0.889 275 L HN 0.324 nan 8.230 nan 0.000 0.433 276 F N 0.475 120.449 119.950 0.039 0.000 2.161 276 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 276 F C 2.357 178.114 175.800 -0.072 0.000 1.089 276 F CA 1.075 59.048 58.000 -0.045 0.000 1.282 276 F CB -1.025 37.907 39.000 -0.114 0.000 1.010 276 F HN -0.054 nan 8.300 nan 0.000 0.485 277 A N -0.560 121.473 122.820 -1.311 0.000 1.970 277 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 277 A C 2.135 179.537 177.584 -0.305 0.000 1.170 277 A CA 1.037 52.490 52.037 -0.974 0.000 0.645 277 A CB -1.515 16.868 19.000 -1.029 0.000 0.816 277 A HN 0.582 nan 8.150 nan 0.000 0.447 278 Y N 1.011 121.133 120.300 -0.296 0.000 2.145 278 Y HA -0.093 4.457 4.550 -0.000 0.000 0.286 278 Y C 2.650 178.464 175.900 -0.142 0.000 1.145 278 Y CA 0.939 58.942 58.100 -0.162 0.000 1.148 278 Y CB -0.961 37.434 38.460 -0.110 0.000 0.981 278 Y HN 0.315 nan 8.280 nan 0.000 0.507 279 A N 1.089 123.808 122.820 -0.169 0.000 1.859 279 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 279 A C 2.406 179.876 177.584 -0.190 0.000 1.209 279 A CA 2.427 54.324 52.037 -0.235 0.000 0.639 279 A CB -1.375 17.542 19.000 -0.139 0.000 0.835 279 A HN 0.536 nan 8.150 nan 0.000 0.450 280 I N -0.748 119.733 120.570 -0.148 0.000 2.300 280 I HA -0.272 3.898 4.170 -0.000 0.000 0.252 280 I C 2.490 178.568 176.117 -0.064 0.000 1.119 280 I CA 1.774 63.023 61.300 -0.086 0.000 1.384 280 I CB -0.509 37.428 38.000 -0.105 0.000 1.062 280 I HN 0.471 nan 8.210 nan 0.000 0.426 281 L N 1.799 122.967 121.223 -0.092 0.000 2.044 281 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 281 L C 2.687 179.505 176.870 -0.087 0.000 1.075 281 L CA 1.663 56.467 54.840 -0.059 0.000 0.747 281 L CB -0.573 41.478 42.059 -0.013 0.000 0.903 281 L HN 0.191 nan 8.230 nan 0.000 0.435 282 R N -0.643 119.753 120.500 -0.173 0.000 2.275 282 R HA 0.065 4.405 4.340 -0.000 0.000 0.199 282 R C 1.885 178.107 176.300 -0.130 0.000 0.989 282 R CA 0.900 56.896 56.100 -0.174 0.000 1.016 282 R CB -1.014 29.106 30.300 -0.299 0.000 0.918 282 R HN 0.537 nan 8.270 nan 0.000 0.473 283 S N 0.957 116.586 115.700 -0.118 0.000 2.595 283 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 283 S C 0.887 175.457 174.600 -0.051 0.000 0.974 283 S CA 0.141 58.294 58.200 -0.078 0.000 0.942 283 S CB -0.341 62.826 63.200 -0.056 0.000 0.766 283 S HN 0.269 nan 8.310 nan 0.000 0.536 284 I N 1.902 122.442 120.570 -0.051 0.000 2.389 284 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 284 I C -2.721 173.374 176.117 -0.037 0.000 0.999 284 I CA -2.532 58.743 61.300 -0.041 0.000 1.129 284 I CB 2.001 39.977 38.000 -0.040 0.000 1.288 284 I HN -0.100 nan 8.210 nan 0.000 0.444 285 P HA 0.196 nan 4.420 nan 0.000 0.226 285 P C -0.627 176.662 177.300 -0.019 0.000 1.758 285 P CA 0.131 63.217 63.100 -0.024 0.000 0.896 285 P CB -0.108 31.580 31.700 -0.021 0.000 1.784 286 N N 0.557 119.245 118.700 -0.020 0.000 2.308 286 N HA 0.106 4.846 4.740 -0.000 0.000 0.283 286 N C 0.451 175.955 175.510 -0.010 0.000 1.105 286 N CA -0.446 52.595 53.050 -0.015 0.000 0.840 286 N CB 2.167 40.641 38.487 -0.021 0.000 1.633 286 N HN -0.205 nan 8.380 nan 0.000 0.476 287 K N 1.600 121.999 120.400 -0.001 0.000 1.973 287 K HA -0.098 4.222 4.320 -0.000 0.000 0.212 287 K C 1.660 178.261 176.600 0.002 0.000 1.047 287 K CA 1.164 57.455 56.287 0.006 0.000 0.937 287 K CB -0.048 32.459 32.500 0.013 0.000 0.721 287 K HN 0.395 nan 8.250 nan 0.000 0.440 288 L N 0.996 122.219 121.223 -0.001 0.000 2.056 288 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 288 L C 2.112 178.974 176.870 -0.012 0.000 1.078 288 L CA 2.177 57.015 54.840 -0.003 0.000 0.749 288 L CB -1.117 40.940 42.059 -0.002 0.000 0.901 288 L HN 0.347 nan 8.230 nan 0.000 0.433 289 G N -0.863 107.923 108.800 -0.023 0.000 2.552 289 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 289 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 289 G C 1.547 176.427 174.900 -0.034 0.000 1.240 289 G CA 0.797 45.873 45.100 -0.040 0.000 0.796 289 G HN 0.588 nan 8.290 nan 0.000 0.568 290 G N 0.014 108.799 108.800 -0.024 0.000 2.599 290 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 290 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 290 G C 1.856 176.755 174.900 -0.002 0.000 1.193 290 G CA 1.804 46.894 45.100 -0.017 0.000 0.778 290 G HN 0.570 nan 8.290 nan 0.000 0.589 291 V N 0.174 120.089 119.914 0.003 0.000 2.287 291 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 291 V C 2.835 178.946 176.094 0.028 0.000 1.053 291 V CA 2.290 64.597 62.300 0.011 0.000 1.027 291 V CB -0.342 31.484 31.823 0.005 0.000 0.646 291 V HN 0.295 nan 8.190 nan 0.000 0.447 292 L N 0.537 121.773 121.223 0.022 0.000 1.989 292 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 292 L C 2.661 179.572 176.870 0.069 0.000 1.071 292 L CA 2.660 57.524 54.840 0.041 0.000 0.749 292 L CB -1.276 40.785 42.059 0.002 0.000 0.890 292 L HN 0.389 nan 8.230 nan 0.000 0.431 293 A N -0.981 121.847 122.820 0.014 0.000 1.908 293 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 293 A C 2.261 179.949 177.584 0.174 0.000 1.181 293 A CA 2.030 54.087 52.037 0.034 0.000 0.627 293 A CB -1.053 17.927 19.000 -0.033 0.000 0.818 293 A HN 0.457 nan 8.150 nan 0.000 0.445 294 L N -0.363 120.919 121.223 0.097 0.000 2.079 294 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 294 L C 2.555 179.489 176.870 0.106 0.000 1.081 294 L CA 2.256 57.137 54.840 0.068 0.000 0.752 294 L CB -0.674 41.392 42.059 0.012 0.000 0.896 294 L HN 0.344 nan 8.230 nan 0.000 0.433 295 A N -0.654 122.240 122.820 0.123 0.000 1.845 295 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 295 A C 2.258 179.963 177.584 0.201 0.000 1.195 295 A CA 1.763 53.876 52.037 0.126 0.000 0.616 295 A CB -1.408 17.657 19.000 0.108 0.000 0.832 295 A HN 0.500 nan 8.150 nan 0.000 0.443 296 F N 1.017 121.042 119.950 0.125 0.000 2.271 296 F HA -0.213 4.314 4.527 -0.000 0.000 0.302 296 F C 2.770 178.797 175.800 0.380 0.000 1.063 296 F CA 1.608 59.732 58.000 0.208 0.000 1.362 296 F CB -0.026 39.051 39.000 0.129 0.000 1.060 296 F HN 0.278 nan 8.300 nan 0.000 0.521 297 S N -0.138 115.871 115.700 0.515 0.000 2.382 297 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 297 S C 1.753 176.517 174.600 0.273 0.000 1.027 297 S CA 1.851 60.272 58.200 0.370 0.000 0.991 297 S CB -0.269 62.995 63.200 0.106 0.000 0.823 297 S HN 0.347 nan 8.310 nan 0.000 0.469 298 I N 0.525 121.210 120.570 0.193 0.000 3.039 298 I HA 0.222 4.392 4.170 -0.000 0.000 0.270 298 I C 1.715 177.874 176.117 0.071 0.000 1.150 298 I CA 0.357 61.751 61.300 0.155 0.000 1.448 298 I CB -0.273 37.811 38.000 0.140 0.000 1.197 298 I HN 0.157 nan 8.210 nan 0.000 0.450 299 L N 0.903 122.140 121.223 0.024 0.000 2.642 299 L HA -0.106 4.234 4.340 -0.000 0.000 0.236 299 L C 2.207 178.998 176.870 -0.132 0.000 1.169 299 L CA 0.963 55.769 54.840 -0.058 0.000 0.851 299 L CB -0.295 41.712 42.059 -0.087 0.000 0.968 299 L HN 0.355 nan 8.230 nan 0.000 0.453 300 I N -0.451 120.066 120.570 -0.089 0.000 3.059 300 I HA -0.170 4.000 4.170 -0.000 0.000 0.270 300 I C 2.081 178.200 176.117 0.003 0.000 1.238 300 I CA 0.381 61.616 61.300 -0.108 0.000 1.478 300 I CB 0.262 38.285 38.000 0.039 0.000 1.097 300 I HN 0.270 nan 8.210 nan 0.000 0.455 301 L N 0.733 121.987 121.223 0.052 0.000 2.261 301 L HA -0.175 4.165 4.340 -0.000 0.000 0.216 301 L C 2.409 179.452 176.870 0.288 0.000 1.114 301 L CA 1.181 56.110 54.840 0.148 0.000 0.777 301 L CB -0.592 41.471 42.059 0.007 0.000 0.910 301 L HN 0.286 nan 8.230 nan 0.000 0.440 302 A N -1.075 121.826 122.820 0.135 0.000 2.251 302 A HA 0.092 4.412 4.320 -0.000 0.000 0.209 302 A C 2.058 179.699 177.584 0.095 0.000 1.187 302 A CA 0.346 52.483 52.037 0.167 0.000 0.823 302 A CB -0.068 18.970 19.000 0.063 0.000 0.846 302 A HN 0.353 nan 8.150 nan 0.000 0.486 303 L N -0.622 120.622 121.223 0.034 0.000 2.408 303 L HA 0.068 4.408 4.340 -0.000 0.000 0.215 303 L C 2.038 178.890 176.870 -0.031 0.000 1.081 303 L CA 0.300 55.138 54.840 -0.005 0.000 0.840 303 L CB -0.293 41.750 42.059 -0.026 0.000 1.002 303 L HN 0.369 nan 8.230 nan 0.000 0.468 304 I N 1.243 121.771 120.570 -0.070 0.000 2.103 304 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 304 I C -0.274 175.654 176.117 -0.316 0.000 1.036 304 I CA 2.008 63.147 61.300 -0.268 0.000 1.300 304 I CB -2.145 35.609 38.000 -0.409 0.000 1.010 304 I HN 0.198 nan 8.210 nan 0.000 0.406 305 P HA -0.179 nan 4.420 nan 0.000 0.217 305 P C 1.797 179.119 177.300 0.037 0.000 1.148 305 P CA 1.593 64.693 63.100 0.000 0.000 0.834 305 P CB -0.093 31.598 31.700 -0.014 0.000 0.783 306 L N -2.359 118.867 121.223 0.006 0.000 2.554 306 L HA 0.023 4.363 4.340 -0.000 0.000 0.226 306 L C 1.838 178.719 176.870 0.019 0.000 1.137 306 L CA 0.493 55.344 54.840 0.019 0.000 0.863 306 L CB -0.526 41.543 42.059 0.016 0.000 0.985 306 L HN -0.010 nan 8.230 nan 0.000 0.451 307 L N -1.456 119.767 121.223 0.001 0.000 2.607 307 L HA 0.110 4.450 4.340 -0.000 0.000 0.228 307 L C 0.634 177.500 176.870 -0.007 0.000 1.123 307 L CA -0.275 54.554 54.840 -0.018 0.000 0.890 307 L CB -0.353 41.674 42.059 -0.054 0.000 1.103 307 L HN 0.185 nan 8.230 nan 0.000 0.468 308 H N -0.522 118.532 119.070 -0.025 0.000 2.803 308 H HA 0.028 4.583 4.556 -0.000 0.000 0.330 308 H C 0.838 176.147 175.328 -0.033 0.000 1.057 308 H CA 0.917 56.969 56.048 0.006 0.000 1.458 308 H CB 1.164 30.975 29.762 0.082 0.000 1.470 308 H HN -0.137 nan 8.280 nan 0.000 0.560 309 T N 1.873 116.154 114.554 -0.454 0.000 3.010 309 T HA 0.090 4.440 4.350 -0.000 0.000 0.253 309 T C 0.531 175.063 174.700 -0.279 0.000 0.939 309 T CA 0.326 62.278 62.100 -0.247 0.000 0.910 309 T CB -0.073 68.686 68.868 -0.181 0.000 1.226 309 T HN 0.575 nan 8.240 nan 0.000 0.508 310 S N 0.987 116.390 115.700 -0.496 0.000 2.584 310 S HA 0.182 4.652 4.470 -0.000 0.000 0.270 310 S C 1.134 175.644 174.600 -0.150 0.000 1.346 310 S CA -0.147 57.890 58.200 -0.271 0.000 1.018 310 S CB 0.525 63.565 63.200 -0.266 0.000 0.899 310 S HN 0.249 nan 8.310 nan 0.000 0.542 311 K N 1.498 121.780 120.400 -0.197 0.000 2.444 311 K HA 0.135 4.455 4.320 -0.000 0.000 0.193 311 K C 0.121 176.520 176.600 -0.336 0.000 1.024 311 K CA 0.397 56.435 56.287 -0.415 0.000 1.077 311 K CB 0.133 32.044 32.500 -0.981 0.000 0.833 311 K HN 0.632 nan 8.250 nan 0.000 0.517 312 Q N -0.040 119.705 119.800 -0.092 0.000 2.306 312 Q HA 0.289 4.629 4.340 -0.000 0.000 0.265 312 Q C 0.705 176.742 176.000 0.062 0.000 1.022 312 Q CA -0.413 55.403 55.803 0.022 0.000 0.853 312 Q CB 2.558 31.394 28.738 0.163 0.000 1.327 312 Q HN -0.044 nan 8.270 nan 0.000 0.449 313 R N 0.772 121.263 120.500 -0.014 0.000 2.052 313 R HA 0.068 4.408 4.340 -0.000 0.000 0.224 313 R C 0.867 177.105 176.300 -0.103 0.000 1.149 313 R CA 0.678 56.698 56.100 -0.134 0.000 0.962 313 R CB 0.096 30.259 30.300 -0.227 0.000 0.856 313 R HN 0.559 nan 8.270 nan 0.000 0.433 314 S N -0.450 115.204 115.700 -0.076 0.000 2.600 314 S HA 0.086 4.556 4.470 -0.000 0.000 0.265 314 S C 0.924 175.360 174.600 -0.274 0.000 1.325 314 S CA -0.378 57.743 58.200 -0.132 0.000 1.002 314 S CB 0.909 64.087 63.200 -0.037 0.000 0.921 314 S HN 0.339 nan 8.310 nan 0.000 0.554 315 M N 2.712 121.954 119.600 -0.596 0.000 2.428 315 M HA 0.123 4.603 4.480 -0.000 0.000 0.239 315 M C 1.807 177.751 176.300 -0.593 0.000 1.121 315 M CA 0.021 54.886 55.300 -0.725 0.000 1.019 315 M CB -0.085 31.731 32.600 -1.308 0.000 1.485 315 M HN 0.791 nan 8.290 nan 0.000 0.484 316 M N 0.351 119.657 119.600 -0.490 0.000 2.108 316 M HA -0.235 4.245 4.480 -0.000 0.000 0.257 316 M C 0.273 176.373 176.300 -0.334 0.000 1.071 316 M CA 2.089 57.172 55.300 -0.361 0.000 1.093 316 M CB 0.020 32.334 32.600 -0.477 0.000 1.345 316 M HN 0.196 nan 8.290 nan 0.000 0.403 317 F N 0.935 120.889 119.950 0.008 0.000 2.668 317 F HA 0.261 4.788 4.527 -0.000 0.000 0.297 317 F C 0.109 175.909 175.800 0.001 0.000 1.124 317 F CA -0.229 57.786 58.000 0.024 0.000 1.353 317 F CB -0.141 38.888 39.000 0.048 0.000 0.992 317 F HN 0.103 nan 8.300 nan 0.000 0.524 318 R N -0.454 120.079 120.500 0.055 0.000 2.407 318 R HA 0.384 4.724 4.340 -0.000 0.000 0.298 318 R C -2.709 173.586 176.300 -0.009 0.000 1.166 318 R CA -1.620 54.494 56.100 0.023 0.000 1.006 318 R CB 0.954 31.250 30.300 -0.008 0.000 1.145 318 R HN -0.110 nan 8.270 nan 0.000 0.538 319 P HA -0.096 nan 4.420 nan 0.000 0.216 319 P C 1.108 178.436 177.300 0.046 0.000 1.153 319 P CA 0.371 63.504 63.100 0.055 0.000 0.844 319 P CB 0.268 32.009 31.700 0.068 0.000 0.787 320 L N -0.412 120.828 121.223 0.028 0.000 2.043 320 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 320 L C 2.341 179.216 176.870 0.009 0.000 1.075 320 L CA 2.020 56.873 54.840 0.021 0.000 0.752 320 L CB -1.517 40.546 42.059 0.008 0.000 0.891 320 L HN -0.067 nan 8.230 nan 0.000 0.432 321 S N -1.514 114.168 115.700 -0.030 0.000 2.387 321 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 321 S C 1.834 176.398 174.600 -0.060 0.000 1.026 321 S CA 0.685 58.840 58.200 -0.074 0.000 0.972 321 S CB -0.172 62.936 63.200 -0.154 0.000 0.814 321 S HN 0.493 nan 8.310 nan 0.000 0.477 322 Q N 0.279 120.058 119.800 -0.035 0.000 2.096 322 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 322 Q C 2.474 178.645 176.000 0.285 0.000 0.982 322 Q CA 1.459 57.316 55.803 0.090 0.000 0.850 322 Q CB -0.545 28.308 28.738 0.192 0.000 0.901 322 Q HN 0.552 nan 8.270 nan 0.000 0.422 323 C N 0.639 120.067 119.300 0.214 0.000 2.432 323 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 323 C C 2.727 177.821 174.990 0.174 0.000 1.249 323 C CA 0.515 59.665 59.018 0.221 0.000 1.725 323 C CB -1.108 26.710 27.740 0.130 0.000 2.028 323 C HN 0.457 nan 8.230 nan 0.000 0.477 324 L N -0.186 121.093 121.223 0.092 0.000 2.079 324 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 324 L C 2.427 179.313 176.870 0.026 0.000 1.081 324 L CA 1.607 56.472 54.840 0.041 0.000 0.752 324 L CB -0.737 41.322 42.059 -0.001 0.000 0.896 324 L HN 0.333 nan 8.230 nan 0.000 0.433 325 F N 0.088 119.943 119.950 -0.157 0.000 2.046 325 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 325 F C 2.047 177.687 175.800 -0.266 0.000 1.123 325 F CA 1.657 59.472 58.000 -0.308 0.000 1.199 325 F CB -0.628 38.064 39.000 -0.513 0.000 0.972 325 F HN -0.022 nan 8.300 nan 0.000 0.474 326 W N 0.190 121.483 121.300 -0.012 0.000 2.425 326 W HA -0.020 4.640 4.660 -0.000 0.000 0.277 326 W C 2.545 178.976 176.519 -0.147 0.000 1.231 326 W CA 0.980 58.239 57.345 -0.143 0.000 1.248 326 W CB -0.828 28.657 29.460 0.042 0.000 1.117 326 W HN 0.144 nan 8.180 nan 0.000 0.568 327 A N 0.323 123.210 122.820 0.111 0.000 1.902 327 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 327 A C 1.978 179.537 177.584 -0.041 0.000 1.181 327 A CA 1.372 53.435 52.037 0.043 0.000 0.623 327 A CB -0.937 18.084 19.000 0.036 0.000 0.818 327 A HN 0.347 nan 8.150 nan 0.000 0.443 328 L N -0.195 120.936 121.223 -0.153 0.000 2.046 328 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 328 L C 2.479 179.208 176.870 -0.235 0.000 1.077 328 L CA 1.652 56.359 54.840 -0.222 0.000 0.747 328 L CB -0.363 41.489 42.059 -0.344 0.000 0.896 328 L HN 0.284 nan 8.230 nan 0.000 0.432 329 V N 0.389 120.088 119.914 -0.357 0.000 2.237 329 V HA -0.318 3.802 4.120 -0.000 0.000 0.245 329 V C 2.863 178.915 176.094 -0.070 0.000 1.046 329 V CA 1.870 64.020 62.300 -0.251 0.000 1.007 329 V CB -1.093 30.611 31.823 -0.199 0.000 0.638 329 V HN 0.593 nan 8.190 nan 0.000 0.445 330 A N 0.052 122.872 122.820 -0.000 0.000 1.917 330 A HA -0.361 3.959 4.320 -0.000 0.000 0.219 330 A C 2.030 179.634 177.584 0.032 0.000 1.182 330 A CA 2.497 54.550 52.037 0.028 0.000 0.633 330 A CB -0.894 18.131 19.000 0.041 0.000 0.819 330 A HN 0.644 nan 8.150 nan 0.000 0.448 331 D N -0.625 119.792 120.400 0.027 0.000 2.218 331 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 331 D C 1.682 178.030 176.300 0.080 0.000 0.976 331 D CA 0.980 55.019 54.000 0.064 0.000 0.853 331 D CB -0.174 40.666 40.800 0.067 0.000 0.939 331 D HN 0.470 nan 8.370 nan 0.000 0.481 332 L N -0.256 120.988 121.223 0.035 0.000 2.179 332 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 332 L C 2.451 179.350 176.870 0.049 0.000 1.096 332 L CA 0.287 55.134 54.840 0.011 0.000 0.779 332 L CB -0.172 41.805 42.059 -0.137 0.000 0.922 332 L HN 0.146 nan 8.230 nan 0.000 0.443 333 L N -0.742 120.510 121.223 0.050 0.000 2.201 333 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 333 L C 2.426 179.392 176.870 0.161 0.000 1.105 333 L CA 1.147 56.038 54.840 0.084 0.000 0.775 333 L CB -0.148 41.939 42.059 0.047 0.000 0.913 333 L HN 0.272 nan 8.230 nan 0.000 0.440 334 T N 0.008 114.667 114.554 0.174 0.000 2.770 334 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 334 T C 1.889 176.757 174.700 0.280 0.000 1.039 334 T CA 1.030 63.316 62.100 0.309 0.000 1.142 334 T CB -0.130 68.888 68.868 0.250 0.000 0.868 334 T HN 0.216 nan 8.240 nan 0.000 0.435 335 L N 0.775 122.099 121.223 0.169 0.000 2.079 335 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 335 L C 2.857 179.810 176.870 0.139 0.000 1.081 335 L CA 1.194 56.103 54.840 0.116 0.000 0.752 335 L CB -1.009 41.119 42.059 0.114 0.000 0.896 335 L HN 0.302 nan 8.230 nan 0.000 0.433 336 T N -1.270 113.407 114.554 0.204 0.000 2.643 336 T HA -0.256 4.094 4.350 -0.000 0.000 0.264 336 T C 1.293 176.113 174.700 0.200 0.000 1.045 336 T CA 1.623 63.860 62.100 0.228 0.000 1.155 336 T CB -0.493 68.522 68.868 0.244 0.000 0.863 336 T HN 0.522 nan 8.240 nan 0.000 0.420 337 W N 2.457 123.767 121.300 0.016 0.000 2.290 337 W HA -0.241 4.419 4.660 -0.000 0.000 0.328 337 W C 1.721 178.168 176.519 -0.120 0.000 1.272 337 W CA 1.051 58.370 57.345 -0.043 0.000 1.262 337 W CB -0.882 28.552 29.460 -0.043 0.000 1.151 337 W HN 0.079 nan 8.180 nan 0.000 0.473 338 I N 1.273 121.590 120.570 -0.421 0.000 2.091 338 I HA -0.252 3.918 4.170 -0.000 0.000 0.239 338 I C 2.675 178.525 176.117 -0.445 0.000 1.061 338 I CA 2.160 63.049 61.300 -0.685 0.000 1.317 338 I CB -2.142 35.611 38.000 -0.412 0.000 1.031 338 I HN 0.276 nan 8.210 nan 0.000 0.401 339 G N 0.332 109.005 108.800 -0.212 0.000 2.517 339 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.222 339 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.222 339 G C 1.569 176.462 174.900 -0.011 0.000 1.109 339 G CA 1.001 46.044 45.100 -0.094 0.000 0.746 339 G HN 0.557 nan 8.290 nan 0.000 0.576 340 G N -1.365 107.384 108.800 -0.085 0.000 2.920 340 G HA2 0.276 4.236 3.960 -0.000 0.000 0.208 340 G HA3 0.276 4.236 3.960 -0.000 0.000 0.208 340 G C 0.628 175.406 174.900 -0.204 0.000 1.159 340 G CA -0.054 44.998 45.100 -0.080 0.000 0.784 340 G HN 0.335 nan 8.290 nan 0.000 0.535 341 Q N 0.150 119.735 119.800 -0.359 0.000 2.301 341 Q HA 0.385 4.725 4.340 -0.000 0.000 0.267 341 Q C -2.628 173.207 176.000 -0.275 0.000 1.035 341 Q CA -2.184 53.349 55.803 -0.451 0.000 0.856 341 Q CB 1.853 29.930 28.738 -1.102 0.000 1.337 341 Q HN -0.032 nan 8.270 nan 0.000 0.450 342 P HA 0.023 nan 4.420 nan 0.000 0.269 342 P C -0.273 177.015 177.300 -0.019 0.000 1.215 342 P CA -0.211 62.864 63.100 -0.042 0.000 0.780 342 P CB 0.430 32.144 31.700 0.023 0.000 0.898 343 V N 2.085 121.974 119.914 -0.042 0.000 1.956 343 V HA 0.072 4.192 4.120 -0.000 0.000 0.248 343 V C 0.685 176.778 176.094 -0.001 0.000 1.615 343 V CA 0.775 63.047 62.300 -0.047 0.000 1.558 343 V CB -2.010 29.768 31.823 -0.075 0.000 1.529 343 V HN 0.539 nan 8.190 nan 0.000 0.505 344 E N 0.081 120.305 120.200 0.041 0.000 2.524 344 E HA 0.373 4.723 4.350 -0.000 0.000 0.219 344 E C 0.753 177.353 176.600 0.000 0.000 0.776 344 E CA -0.984 55.437 56.400 0.034 0.000 0.944 344 E CB 0.705 30.429 29.700 0.040 0.000 1.719 344 E HN 0.381 nan 8.360 nan 0.000 0.384 345 H N 1.209 120.219 119.070 -0.101 0.000 1.458 345 H HA -0.221 4.335 4.556 -0.000 0.000 0.090 345 H C -1.161 174.060 175.328 -0.179 0.000 0.969 345 H CA 2.955 58.909 56.048 -0.156 0.000 1.900 345 H CB -1.509 28.192 29.762 -0.102 0.000 2.257 345 H HN 0.314 nan 8.280 nan 0.000 0.961 346 P HA -0.133 nan 4.420 nan 0.000 0.214 346 P C 1.627 178.708 177.300 -0.365 0.000 1.162 346 P CA 2.019 64.643 63.100 -0.794 0.000 0.879 346 P CB -0.551 30.790 31.700 -0.599 0.000 0.786 347 Y N -0.186 119.944 120.300 -0.283 0.000 2.133 347 Y HA -0.242 4.308 4.550 -0.000 0.000 0.279 347 Y C 2.494 178.250 175.900 -0.240 0.000 1.209 347 Y CA 0.193 58.108 58.100 -0.308 0.000 1.152 347 Y CB -2.100 36.163 38.460 -0.329 0.000 0.961 347 Y HN -0.035 nan 8.280 nan 0.000 0.512 348 I N -0.347 120.202 120.570 -0.035 0.000 2.058 348 I HA -0.363 3.807 4.170 -0.000 0.000 0.235 348 I C 2.654 178.741 176.117 -0.050 0.000 1.053 348 I CA 2.391 63.661 61.300 -0.050 0.000 1.313 348 I CB -0.983 36.997 38.000 -0.033 0.000 1.039 348 I HN 0.347 nan 8.210 nan 0.000 0.396 349 T N -0.068 114.457 114.554 -0.049 0.000 2.759 349 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 349 T C 1.905 176.596 174.700 -0.014 0.000 1.042 349 T CA 1.536 63.620 62.100 -0.027 0.000 1.140 349 T CB -0.763 68.094 68.868 -0.018 0.000 0.864 349 T HN 0.524 nan 8.240 nan 0.000 0.455 350 I N 0.712 121.271 120.570 -0.018 0.000 2.439 350 I HA 0.154 4.324 4.170 -0.000 0.000 0.251 350 I C 2.453 178.581 176.117 0.017 0.000 1.139 350 I CA 1.443 62.759 61.300 0.027 0.000 1.438 350 I CB -0.810 37.242 38.000 0.086 0.000 1.085 350 I HN 0.362 nan 8.210 nan 0.000 0.427 351 G N 0.606 109.384 108.800 -0.036 0.000 2.408 351 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 351 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 351 G C 1.484 176.370 174.900 -0.024 0.000 1.150 351 G CA 0.545 45.608 45.100 -0.061 0.000 0.776 351 G HN 0.567 nan 8.290 nan 0.000 0.542 352 Q N -0.409 119.381 119.800 -0.015 0.000 2.378 352 Q HA 0.234 4.574 4.340 -0.000 0.000 0.205 352 Q C 2.371 178.391 176.000 0.034 0.000 0.954 352 Q CA 0.226 56.032 55.803 0.004 0.000 0.901 352 Q CB -0.017 28.719 28.738 -0.003 0.000 0.981 352 Q HN 0.408 nan 8.270 nan 0.000 0.483 353 L N -0.178 121.068 121.223 0.039 0.000 2.102 353 L HA -0.001 4.339 4.340 -0.000 0.000 0.202 353 L C 2.430 179.347 176.870 0.079 0.000 1.076 353 L CA 0.672 55.546 54.840 0.057 0.000 0.761 353 L CB -0.430 41.662 42.059 0.055 0.000 0.921 353 L HN 0.197 nan 8.230 nan 0.000 0.444 354 A N -0.406 122.462 122.820 0.080 0.000 1.908 354 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 354 A C 2.467 180.123 177.584 0.120 0.000 1.181 354 A CA 2.079 54.175 52.037 0.098 0.000 0.627 354 A CB -0.604 18.453 19.000 0.094 0.000 0.818 354 A HN 0.375 nan 8.150 nan 0.000 0.445 355 S N -0.279 115.485 115.700 0.106 0.000 2.378 355 S HA -0.193 4.277 4.470 -0.000 0.000 0.221 355 S C 1.964 176.742 174.600 0.297 0.000 1.037 355 S CA 1.789 60.089 58.200 0.167 0.000 1.069 355 S CB -0.822 62.455 63.200 0.128 0.000 1.006 355 S HN 0.397 nan 8.310 nan 0.000 0.423 356 V N 2.263 122.308 119.914 0.218 0.000 2.278 356 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 356 V C 2.297 178.525 176.094 0.223 0.000 1.062 356 V CA 1.955 64.384 62.300 0.215 0.000 1.038 356 V CB -0.944 30.945 31.823 0.109 0.000 0.646 356 V HN 0.340 nan 8.190 nan 0.000 0.447 357 L N -0.366 120.953 121.223 0.161 0.000 1.990 357 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 357 L C 2.362 179.302 176.870 0.117 0.000 1.072 357 L CA 2.474 57.386 54.840 0.120 0.000 0.755 357 L CB -1.010 41.105 42.059 0.094 0.000 0.889 357 L HN 0.470 nan 8.230 nan 0.000 0.432 358 Y N -0.644 119.645 120.300 -0.017 0.000 2.102 358 Y HA -0.376 4.174 4.550 -0.000 0.000 0.280 358 Y C 2.151 177.938 175.900 -0.189 0.000 1.178 358 Y CA 2.395 60.403 58.100 -0.153 0.000 1.146 358 Y CB -0.603 37.693 38.460 -0.274 0.000 0.968 358 Y HN 0.245 nan 8.280 nan 0.000 0.504 359 F N -1.105 118.962 119.950 0.196 0.000 2.259 359 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 359 F C 2.129 177.938 175.800 0.014 0.000 1.088 359 F CA 1.044 59.106 58.000 0.103 0.000 1.358 359 F CB -0.781 38.318 39.000 0.164 0.000 1.040 359 F HN 0.128 nan 8.300 nan 0.000 0.505 360 L N -0.719 120.607 121.223 0.172 0.000 2.056 360 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 360 L C 2.174 179.053 176.870 0.015 0.000 1.078 360 L CA 1.165 56.057 54.840 0.086 0.000 0.749 360 L CB -0.677 41.426 42.059 0.073 0.000 0.901 360 L HN 0.038 nan 8.230 nan 0.000 0.433 361 L N -0.784 120.420 121.223 -0.032 0.000 2.083 361 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 361 L C 2.188 178.983 176.870 -0.125 0.000 1.083 361 L CA 1.888 56.678 54.840 -0.083 0.000 0.752 361 L CB -0.422 41.565 42.059 -0.121 0.000 0.899 361 L HN 0.245 nan 8.230 nan 0.000 0.433 362 I N -2.448 118.015 120.570 -0.177 0.000 2.556 362 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 362 I C 1.882 177.961 176.117 -0.064 0.000 1.105 362 I CA 0.275 61.469 61.300 -0.178 0.000 1.436 362 I CB -0.035 37.777 38.000 -0.312 0.000 1.139 362 I HN 0.098 nan 8.210 nan 0.000 0.438 363 L N -0.317 120.918 121.223 0.021 0.000 2.465 363 L HA -0.001 4.339 4.340 -0.000 0.000 0.224 363 L C 1.468 178.360 176.870 0.036 0.000 1.145 363 L CA 1.309 56.194 54.840 0.076 0.000 0.834 363 L CB 0.265 42.429 42.059 0.175 0.000 0.944 363 L HN 0.038 nan 8.230 nan 0.000 0.451 364 V N -3.375 116.546 119.914 0.011 0.000 3.273 364 V HA 0.014 4.134 4.120 -0.000 0.000 0.208 364 V C 1.481 177.567 176.094 -0.014 0.000 1.464 364 V CA 0.019 62.321 62.300 0.003 0.000 1.270 364 V CB 0.321 32.155 31.823 0.017 0.000 1.161 364 V HN -0.012 nan 8.190 nan 0.000 0.512 365 L N -0.051 121.161 121.223 -0.018 0.000 2.056 365 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 365 L C 2.260 179.105 176.870 -0.041 0.000 1.078 365 L CA 2.302 57.128 54.840 -0.024 0.000 0.749 365 L CB -0.727 41.321 42.059 -0.018 0.000 0.901 365 L HN 0.299 nan 8.230 nan 0.000 0.433 366 M N -1.036 118.528 119.600 -0.061 0.000 2.099 366 M HA -0.114 4.365 4.480 -0.000 0.000 0.262 366 M C -0.257 175.987 176.300 -0.093 0.000 1.067 366 M CA 1.762 57.013 55.300 -0.081 0.000 1.124 366 M CB -1.259 31.280 32.600 -0.101 0.000 1.353 366 M HN 0.087 nan 8.290 nan 0.000 0.410 367 P HA -0.111 nan 4.420 nan 0.000 0.215 367 P C 1.318 178.575 177.300 -0.071 0.000 1.153 367 P CA 1.449 64.497 63.100 -0.086 0.000 0.853 367 P CB -0.217 31.450 31.700 -0.056 0.000 0.788 368 T N -0.456 114.069 114.554 -0.048 0.000 2.737 368 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 368 T C 1.909 176.587 174.700 -0.037 0.000 1.038 368 T CA 1.617 63.696 62.100 -0.035 0.000 1.144 368 T CB -1.040 67.816 68.868 -0.020 0.000 0.866 368 T HN 0.022 nan 8.240 nan 0.000 0.434 369 A N 1.358 124.154 122.820 -0.040 0.000 1.958 369 A HA -0.051 4.269 4.320 -0.000 0.000 0.221 369 A C 2.536 180.091 177.584 -0.048 0.000 1.178 369 A CA 2.153 54.168 52.037 -0.037 0.000 0.642 369 A CB -1.415 17.561 19.000 -0.040 0.000 0.816 369 A HN 0.536 nan 8.150 nan 0.000 0.453 370 G N -1.277 107.474 108.800 -0.081 0.000 2.433 370 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 370 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 370 G C 1.583 176.444 174.900 -0.064 0.000 1.186 370 G CA 1.613 46.649 45.100 -0.106 0.000 0.779 370 G HN 0.438 nan 8.290 nan 0.000 0.543 371 T N 1.391 115.912 114.554 -0.055 0.000 2.759 371 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 371 T C 2.362 177.061 174.700 -0.001 0.000 1.042 371 T CA 1.045 63.129 62.100 -0.027 0.000 1.140 371 T CB -0.140 68.713 68.868 -0.025 0.000 0.864 371 T HN 0.242 nan 8.240 nan 0.000 0.455 372 I N 0.849 121.416 120.570 -0.004 0.000 2.202 372 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 372 I C 2.567 178.697 176.117 0.023 0.000 1.091 372 I CA 1.337 62.642 61.300 0.009 0.000 1.368 372 I CB -0.379 37.623 38.000 0.003 0.000 1.058 372 I HN 0.301 nan 8.210 nan 0.000 0.410 373 E N 0.780 120.993 120.200 0.021 0.000 2.204 373 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 373 E C 1.792 178.449 176.600 0.094 0.000 0.990 373 E CA 0.953 57.380 56.400 0.045 0.000 0.821 373 E CB -0.092 29.630 29.700 0.036 0.000 0.750 373 E HN 0.469 nan 8.360 nan 0.000 0.477 374 N N 0.724 119.484 118.700 0.100 0.000 2.109 374 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 374 N C 1.544 177.150 175.510 0.160 0.000 1.034 374 N CA 0.780 53.943 53.050 0.187 0.000 0.846 374 N CB -0.107 38.452 38.487 0.119 0.000 1.010 374 N HN -0.031 nan 8.380 nan 0.000 0.425 375 K N 1.126 121.579 120.400 0.089 0.000 2.113 375 K HA -0.047 4.272 4.320 -0.000 0.000 0.208 375 K C 2.045 178.671 176.600 0.043 0.000 1.047 375 K CA 0.644 56.968 56.287 0.061 0.000 0.928 375 K CB -0.631 31.891 32.500 0.036 0.000 0.716 375 K HN 0.253 nan 8.250 nan 0.000 0.446 376 L N 0.179 121.424 121.223 0.037 0.000 2.291 376 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 376 L C 1.987 178.849 176.870 -0.014 0.000 1.120 376 L CA 0.510 55.357 54.840 0.012 0.000 0.799 376 L CB -0.087 41.980 42.059 0.013 0.000 0.925 376 L HN 0.055 nan 8.230 nan 0.000 0.446 377 L N -0.927 120.292 121.223 -0.006 0.000 2.592 377 L HA 0.039 4.379 4.340 -0.000 0.000 0.227 377 L C 0.831 177.597 176.870 -0.173 0.000 1.127 377 L CA 0.173 54.941 54.840 -0.120 0.000 0.884 377 L CB 0.066 42.027 42.059 -0.164 0.000 1.065 377 L HN 0.183 nan 8.230 nan 0.000 0.457 378 K N -1.943 118.430 120.400 -0.045 0.000 3.391 378 K HA -0.209 4.111 4.320 -0.000 0.000 0.307 378 K C -0.097 176.540 176.600 0.061 0.000 1.304 378 K CA 0.418 56.692 56.287 -0.022 0.000 0.904 378 K CB -0.872 31.584 32.500 -0.074 0.000 1.293 378 K HN 0.224 nan 8.250 nan 0.000 0.470 379 W N 0.000 121.292 121.300 -0.013 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.338 57.345 -0.012 0.000 1.226 379 W CB 0.000 29.453 29.460 -0.012 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535