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 1tt4_1_A DATA FIRST_RESID 5 DATA SEQUENCE DFHVSEPYTL GIELEMQVIN PPGYDLSQDS STLIDAVKPQ LTAGEIKHDI DATA SEQUENCE TESMLEMATG VCRDIDQAAA QLSAMQHVIL QAASEHHLGI CGGGTHPFQK DATA SEQUENCE WXXXXXXXXX XXXRTLENFG YLIQQATVFG QHVHVGCANG DDAIYLLHGL DATA SEQUENCE SHFVPHFIAL SAASPYMQGA DTRFACARLN IFSAFPDNGP MPWVSNWQEF DATA SEQUENCE AGLFRRLSYT TMIDSIKDLH WDIRPSPAFG TVEVRVMDTP LTLDHAINMA DATA SEQUENCE GLIQATAHWL LTERPFKPQE QDYLLYKFNR FQACRYGLEG VLTDAYTGDR DATA SEQUENCE RRLADDTLRL LDNVTPSARK LGADSAIDAL RLQVKKGGNE AQYMREFIAD DATA SEQUENCE GGSLIGLVQK HCEIWA 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.425 176.300 0.208 0.000 2.045 5 D CA 0.000 54.190 54.000 0.317 0.000 0.868 5 D CB 0.000 41.080 40.800 0.467 0.000 0.688 6 F N 3.590 123.478 119.950 -0.104 0.000 2.350 6 F HA 0.235 4.762 4.527 0.000 0.000 0.365 6 F C 0.743 176.448 175.800 -0.159 0.000 1.122 6 F CA -0.623 57.200 58.000 -0.295 0.000 1.139 6 F CB 0.491 39.025 39.000 -0.777 0.000 1.220 6 F HN -0.130 nan 8.300 nan 0.000 0.499 7 H N 5.339 124.199 119.070 -0.350 0.000 3.064 7 H HA 0.076 4.632 4.556 0.000 0.000 0.329 7 H C -0.888 174.356 175.328 -0.141 0.000 1.020 7 H CA 0.236 56.154 56.048 -0.216 0.000 1.402 7 H CB 0.896 30.523 29.762 -0.225 0.000 1.379 7 H HN 0.356 nan 8.280 nan 0.000 0.594 8 V N 5.468 125.044 119.914 -0.563 0.000 2.432 8 V HA 0.064 4.184 4.120 0.000 0.000 0.271 8 V C 0.600 176.498 176.094 -0.326 0.000 1.046 8 V CA -0.138 61.978 62.300 -0.306 0.000 0.945 8 V CB 1.148 32.828 31.823 -0.238 0.000 0.992 8 V HN 0.709 nan 8.190 nan 0.000 0.471 9 S N 3.193 118.857 115.700 -0.059 0.000 2.593 9 S HA 0.355 4.825 4.470 0.000 0.000 0.297 9 S C -0.091 174.493 174.600 -0.027 0.000 1.112 9 S CA -0.673 57.541 58.200 0.023 0.000 1.043 9 S CB 1.240 64.492 63.200 0.088 0.000 1.054 9 S HN 0.824 nan 8.310 nan 0.000 0.516 10 E N 2.848 123.042 120.200 -0.011 0.000 2.406 10 E HA 0.080 4.430 4.350 0.000 0.000 0.258 10 E C -2.277 174.283 176.600 -0.067 0.000 1.043 10 E CA -1.354 55.030 56.400 -0.027 0.000 0.929 10 E CB 0.317 30.021 29.700 0.006 0.000 0.969 10 E HN 0.236 nan 8.360 nan 0.000 0.462 11 P HA -0.111 nan 4.420 nan 0.000 0.265 11 P C -0.822 176.254 177.300 -0.373 0.000 1.193 11 P CA 0.680 63.496 63.100 -0.473 0.000 0.765 11 P CB 0.134 31.371 31.700 -0.771 0.000 0.823 12 Y N -1.674 118.685 120.300 0.099 0.000 4.936 12 Y HA -0.284 4.266 4.550 0.000 0.000 0.260 12 Y C 1.106 177.052 175.900 0.076 0.000 0.928 12 Y CA 0.352 58.515 58.100 0.105 0.000 1.869 12 Y CB -2.689 35.849 38.460 0.130 0.000 1.344 12 Y HN 0.275 nan 8.280 nan 0.000 0.521 13 T N 1.755 116.393 114.554 0.140 0.000 2.898 13 T HA 0.201 4.551 4.350 0.000 0.000 0.331 13 T C -0.109 174.653 174.700 0.102 0.000 1.085 13 T CA 0.544 62.700 62.100 0.094 0.000 1.129 13 T CB 0.357 69.258 68.868 0.054 0.000 1.054 13 T HN 0.219 nan 8.240 nan 0.000 0.540 14 L N 2.218 123.483 121.223 0.071 0.000 2.422 14 L HA 0.768 5.108 4.340 0.000 0.000 0.264 14 L C -0.162 176.734 176.870 0.044 0.000 0.984 14 L CA -0.072 54.813 54.840 0.074 0.000 0.819 14 L CB 2.091 44.188 42.059 0.063 0.000 1.330 14 L HN 0.729 nan 8.230 nan 0.000 0.410 15 G N 4.599 113.445 108.800 0.078 0.000 2.701 15 G HA2 0.662 4.622 3.960 0.000 0.000 0.300 15 G HA3 0.662 4.622 3.960 0.000 0.000 0.300 15 G C -1.711 173.261 174.900 0.120 0.000 1.410 15 G CA -0.355 44.768 45.100 0.038 0.000 1.014 15 G HN 0.504 nan 8.290 nan 0.000 0.509 16 I N 1.355 121.970 120.570 0.075 0.000 2.436 16 I HA 0.322 4.492 4.170 0.000 0.000 0.289 16 I C -0.283 175.889 176.117 0.092 0.000 1.010 16 I CA -0.628 60.733 61.300 0.101 0.000 1.098 16 I CB 2.325 40.365 38.000 0.068 0.000 1.266 16 I HN 0.412 nan 8.210 nan 0.000 0.434 17 E N 6.847 127.123 120.200 0.128 0.000 2.191 17 E HA 0.656 5.006 4.350 0.000 0.000 0.278 17 E C -1.170 175.449 176.600 0.032 0.000 0.972 17 E CA -0.676 55.762 56.400 0.064 0.000 0.804 17 E CB 2.221 31.950 29.700 0.049 0.000 1.110 17 E HN 0.409 nan 8.360 nan 0.000 0.394 18 L N 2.516 123.756 121.223 0.027 0.000 2.406 18 L HA 0.348 4.688 4.340 0.000 0.000 0.272 18 L C -0.462 176.422 176.870 0.024 0.000 0.980 18 L CA -0.582 54.283 54.840 0.042 0.000 0.831 18 L CB 1.917 44.040 42.059 0.106 0.000 1.253 18 L HN 0.465 nan 8.230 nan 0.000 0.406 19 E N 4.112 124.328 120.200 0.027 0.000 2.130 19 E HA 0.407 4.757 4.350 0.000 0.000 0.284 19 E C -0.754 175.925 176.600 0.131 0.000 1.018 19 E CA -0.461 55.996 56.400 0.096 0.000 0.817 19 E CB 1.248 31.017 29.700 0.114 0.000 1.078 19 E HN 0.301 nan 8.360 nan 0.000 0.396 20 M N 2.574 122.193 119.600 0.030 0.000 2.227 20 M HA 0.219 4.699 4.480 0.000 0.000 0.335 20 M C -0.247 175.855 176.300 -0.329 0.000 1.053 20 M CA -0.601 54.559 55.300 -0.233 0.000 0.973 20 M CB 1.575 33.984 32.600 -0.319 0.000 1.623 20 M HN 0.399 nan 8.290 nan 0.000 0.434 21 Q N 1.582 120.941 119.800 -0.735 0.000 2.311 21 Q HA 0.276 4.616 4.340 0.000 0.000 0.272 21 Q C -0.699 175.072 176.000 -0.382 0.000 1.012 21 Q CA 0.076 55.412 55.803 -0.778 0.000 0.891 21 Q CB 0.896 29.081 28.738 -0.920 0.000 1.201 21 Q HN 0.429 nan 8.270 nan 0.000 0.391 22 V N 5.162 124.959 119.914 -0.194 0.000 2.370 22 V HA 0.330 4.450 4.120 0.000 0.000 0.283 22 V C -0.050 176.003 176.094 -0.069 0.000 1.023 22 V CA -0.563 61.665 62.300 -0.121 0.000 0.857 22 V CB 1.017 32.802 31.823 -0.063 0.000 0.985 22 V HN 0.616 nan 8.190 nan 0.000 0.443 23 I N 3.457 123.990 120.570 -0.061 0.000 2.863 23 I HA 0.465 4.636 4.170 0.000 0.000 0.311 23 I C 0.113 176.211 176.117 -0.032 0.000 1.026 23 I CA -0.760 60.534 61.300 -0.009 0.000 1.077 23 I CB 1.895 39.919 38.000 0.039 0.000 1.262 23 I HN 0.523 nan 8.210 nan 0.000 0.461 24 N N 4.255 122.923 118.700 -0.053 0.000 2.564 24 N HA 0.273 5.013 4.740 0.000 0.000 0.248 24 N C -2.066 173.254 175.510 -0.316 0.000 0.986 24 N CA -1.392 51.590 53.050 -0.113 0.000 0.921 24 N CB 2.293 40.750 38.487 -0.050 0.000 1.136 24 N HN 0.181 nan 8.380 nan 0.000 0.509 25 P HA -0.138 nan 4.420 nan 0.000 0.218 25 P C -1.419 175.464 177.300 -0.696 0.000 1.150 25 P CA 1.284 63.961 63.100 -0.705 0.000 0.841 25 P CB -0.199 31.343 31.700 -0.263 0.000 0.784 26 P HA -0.103 nan 4.420 nan 0.000 0.205 26 P C 1.648 178.892 177.300 -0.093 0.000 1.193 26 P CA 2.049 65.055 63.100 -0.156 0.000 0.929 26 P CB -0.826 30.826 31.700 -0.081 0.000 0.772 27 G N -3.548 105.235 108.800 -0.029 0.000 2.939 27 G HA2 -0.074 3.886 3.960 0.000 0.000 0.210 27 G HA3 -0.074 3.886 3.960 0.000 0.000 0.210 27 G C -0.339 174.765 174.900 0.339 0.000 1.160 27 G CA -0.062 45.123 45.100 0.142 0.000 0.770 27 G HN 0.145 nan 8.290 nan 0.000 0.543 28 Y N 0.296 120.695 120.300 0.165 0.000 4.272 28 Y HA -0.201 4.349 4.550 0.000 0.000 0.232 28 Y C 0.363 176.421 175.900 0.263 0.000 1.149 28 Y CA 0.097 58.309 58.100 0.187 0.000 1.961 28 Y CB -2.305 36.267 38.460 0.187 0.000 1.611 28 Y HN 0.332 nan 8.280 nan 0.000 0.682 29 D N -0.068 120.502 120.400 0.284 0.000 2.398 29 D HA 0.419 5.059 4.640 0.000 0.000 0.247 29 D C 0.389 176.722 176.300 0.055 0.000 1.227 29 D CA -0.633 53.425 54.000 0.096 0.000 0.980 29 D CB 0.572 41.413 40.800 0.069 0.000 1.106 29 D HN 0.097 nan 8.370 nan 0.000 0.493 30 L N 1.133 122.296 121.223 -0.100 0.000 2.455 30 L HA 0.071 4.412 4.340 0.000 0.000 0.272 30 L C 0.915 177.788 176.870 0.004 0.000 1.174 30 L CA -0.069 54.776 54.840 0.008 0.000 0.869 30 L CB 0.770 42.825 42.059 -0.007 0.000 1.130 30 L HN 0.394 nan 8.230 nan 0.000 0.474 31 S N 1.979 117.688 115.700 0.014 0.000 2.587 31 S HA -0.039 4.431 4.470 0.000 0.000 0.260 31 S C 0.584 175.188 174.600 0.005 0.000 1.353 31 S CA 0.006 58.208 58.200 0.003 0.000 0.995 31 S CB 1.281 64.477 63.200 -0.007 0.000 0.912 31 S HN 0.688 nan 8.310 nan 0.000 0.568 32 Q N 0.225 120.026 119.800 0.002 0.000 2.423 32 Q HA 0.204 4.544 4.340 0.000 0.000 0.231 32 Q C -1.058 174.943 176.000 0.001 0.000 0.894 32 Q CA 0.695 56.500 55.803 0.003 0.000 0.938 32 Q CB 0.431 29.171 28.738 0.003 0.000 1.079 32 Q HN 0.846 nan 8.270 nan 0.000 0.552 33 D N -1.175 119.221 120.400 -0.007 0.000 2.389 33 D HA 0.159 4.799 4.640 0.000 0.000 0.256 33 D C -0.150 176.126 176.300 -0.040 0.000 1.239 33 D CA -0.332 53.658 54.000 -0.016 0.000 0.925 33 D CB 0.943 41.733 40.800 -0.015 0.000 1.145 33 D HN 0.008 nan 8.370 nan 0.000 0.542 34 S N 0.450 116.132 115.700 -0.030 0.000 2.556 34 S HA 0.031 4.501 4.470 0.000 0.000 0.216 34 S C 1.290 175.857 174.600 -0.055 0.000 0.970 34 S CA -0.249 57.921 58.200 -0.050 0.000 0.912 34 S CB 0.182 63.367 63.200 -0.025 0.000 0.790 34 S HN 0.221 nan 8.310 nan 0.000 0.504 35 S N 1.178 116.860 115.700 -0.030 0.000 2.593 35 S HA 0.096 4.566 4.470 0.000 0.000 0.217 35 S C 1.388 175.957 174.600 -0.051 0.000 0.966 35 S CA 0.689 58.882 58.200 -0.012 0.000 0.914 35 S CB -0.279 62.951 63.200 0.050 0.000 0.776 35 S HN 0.746 nan 8.310 nan 0.000 0.523 36 T N 1.440 115.931 114.554 -0.106 0.000 3.009 36 T HA 0.120 4.470 4.350 0.000 0.000 0.258 36 T C 1.560 176.055 174.700 -0.341 0.000 1.063 36 T CA 0.297 62.289 62.100 -0.181 0.000 1.139 36 T CB -0.071 68.681 68.868 -0.194 0.000 0.890 36 T HN 0.239 nan 8.240 nan 0.000 0.471 37 L N 1.280 122.310 121.223 -0.320 0.000 2.068 37 L HA 0.303 4.644 4.340 0.000 0.000 0.204 37 L C 2.034 178.814 176.870 -0.151 0.000 1.076 37 L CA 1.411 56.078 54.840 -0.287 0.000 0.753 37 L CB -0.652 41.293 42.059 -0.191 0.000 0.910 37 L HN 0.175 nan 8.230 nan 0.000 0.439 38 I N -0.120 120.373 120.570 -0.129 0.000 2.361 38 I HA -0.274 3.896 4.170 0.000 0.000 0.251 38 I C 1.644 177.695 176.117 -0.111 0.000 1.133 38 I CA 1.470 62.694 61.300 -0.126 0.000 1.413 38 I CB -0.319 37.577 38.000 -0.173 0.000 1.073 38 I HN 0.306 nan 8.210 nan 0.000 0.424 39 D N 0.484 120.832 120.400 -0.087 0.000 2.213 39 D HA -0.015 4.625 4.640 0.000 0.000 0.205 39 D C 2.231 178.518 176.300 -0.022 0.000 0.961 39 D CA 1.010 54.983 54.000 -0.045 0.000 0.853 39 D CB -0.001 40.788 40.800 -0.017 0.000 0.967 39 D HN 0.270 nan 8.370 nan 0.000 0.496 40 A N 0.121 122.927 122.820 -0.023 0.000 1.933 40 A HA -0.120 4.200 4.320 0.000 0.000 0.218 40 A C 2.287 179.879 177.584 0.013 0.000 1.175 40 A CA 1.044 53.101 52.037 0.034 0.000 0.628 40 A CB -0.626 18.450 19.000 0.126 0.000 0.814 40 A HN 0.144 nan 8.150 nan 0.000 0.444 41 V N 0.035 119.940 119.914 -0.015 0.000 2.302 41 V HA -0.196 3.925 4.120 0.000 0.000 0.243 41 V C 2.439 178.522 176.094 -0.018 0.000 1.036 41 V CA 1.920 64.211 62.300 -0.016 0.000 1.020 41 V CB -0.574 31.233 31.823 -0.027 0.000 0.657 41 V HN 0.465 nan 8.190 nan 0.000 0.453 42 K N -0.233 120.148 120.400 -0.032 0.000 2.032 42 K HA -0.250 4.071 4.320 0.000 0.000 0.218 42 K C 0.301 176.895 176.600 -0.010 0.000 1.054 42 K CA 2.474 58.744 56.287 -0.027 0.000 0.941 42 K CB -1.867 30.611 32.500 -0.036 0.000 0.720 42 K HN 0.394 nan 8.250 nan 0.000 0.449 43 P HA -0.202 nan 4.420 nan 0.000 0.219 43 P C 0.631 177.933 177.300 0.003 0.000 1.161 43 P CA 1.722 64.823 63.100 0.002 0.000 0.909 43 P CB -0.098 31.605 31.700 0.006 0.000 0.793 44 Q N -1.526 118.276 119.800 0.002 0.000 2.282 44 Q HA 0.175 4.515 4.340 0.000 0.000 0.205 44 Q C 0.025 176.031 176.000 0.011 0.000 0.915 44 Q CA -0.336 55.470 55.803 0.006 0.000 0.949 44 Q CB -0.230 28.509 28.738 0.002 0.000 1.035 44 Q HN 0.208 nan 8.270 nan 0.000 0.484 45 L N 0.630 121.857 121.223 0.006 0.000 2.350 45 L HA 0.139 4.479 4.340 0.000 0.000 0.275 45 L C 1.129 178.005 176.870 0.009 0.000 1.099 45 L CA 0.424 55.269 54.840 0.008 0.000 0.808 45 L CB 1.310 43.368 42.059 -0.001 0.000 1.149 45 L HN 0.172 nan 8.230 nan 0.000 0.442 46 T N -0.101 114.460 114.554 0.012 0.000 3.205 46 T HA 0.493 4.843 4.350 0.000 0.000 0.238 46 T C 0.439 175.138 174.700 -0.001 0.000 0.974 46 T CA 0.337 62.441 62.100 0.006 0.000 1.246 46 T CB -0.088 68.785 68.868 0.009 0.000 1.007 46 T HN 0.555 nan 8.240 nan 0.000 0.414 47 A N 0.612 123.432 122.820 -0.001 0.000 2.337 47 A HA 0.810 5.130 4.320 0.000 0.000 0.329 47 A C 0.699 178.277 177.584 -0.009 0.000 1.146 47 A CA -0.085 51.947 52.037 -0.009 0.000 0.800 47 A CB 0.388 19.381 19.000 -0.011 0.000 1.220 47 A HN 1.736 nan 8.150 nan 0.000 0.472 48 G N 0.930 109.718 108.800 -0.020 0.000 2.661 48 G HA2 0.082 4.042 3.960 0.000 0.000 0.685 48 G HA3 0.082 4.042 3.960 0.000 0.000 0.685 48 G C -0.864 174.021 174.900 -0.024 0.000 1.298 48 G CA -0.348 44.737 45.100 -0.023 0.000 0.855 48 G HN 0.940 nan 8.290 nan 0.000 0.560 49 E N -0.521 119.662 120.200 -0.028 0.000 2.210 49 E HA 0.564 4.914 4.350 0.000 0.000 0.266 49 E C -0.256 176.331 176.600 -0.022 0.000 0.883 49 E CA -0.956 55.428 56.400 -0.026 0.000 0.761 49 E CB 1.902 31.584 29.700 -0.030 0.000 1.156 49 E HN 0.398 nan 8.360 nan 0.000 0.412 50 I N 2.788 123.337 120.570 -0.035 0.000 2.354 50 I HA 0.353 4.523 4.170 0.000 0.000 0.292 50 I C 0.018 176.078 176.117 -0.094 0.000 0.989 50 I CA -0.562 60.707 61.300 -0.051 0.000 1.188 50 I CB 1.079 39.044 38.000 -0.059 0.000 1.342 50 I HN 0.374 nan 8.210 nan 0.000 0.457 51 K N 5.081 125.440 120.400 -0.068 0.000 2.328 51 K HA 0.451 4.772 4.320 0.000 0.000 0.246 51 K C -0.553 176.032 176.600 -0.024 0.000 0.955 51 K CA -0.801 55.462 56.287 -0.041 0.000 0.817 51 K CB 2.326 34.869 32.500 0.072 0.000 1.208 51 K HN 0.604 nan 8.250 nan 0.000 0.432 52 H N 0.713 119.786 119.070 0.005 0.000 2.646 52 H HA 0.129 4.685 4.556 0.000 0.000 0.325 52 H C -0.450 174.880 175.328 0.004 0.000 1.075 52 H CA -0.575 55.474 56.048 0.002 0.000 1.421 52 H CB 1.234 30.996 29.762 0.001 0.000 1.461 52 H HN 0.505 nan 8.280 nan 0.000 0.525 53 D N 1.487 121.960 120.400 0.122 0.000 2.509 53 D HA 0.258 4.898 4.640 0.000 0.000 0.275 53 D C 1.419 177.744 176.300 0.042 0.000 1.189 53 D CA -0.597 53.439 54.000 0.060 0.000 1.098 53 D CB 1.035 41.847 40.800 0.021 0.000 1.177 53 D HN 0.492 nan 8.370 nan 0.000 0.599 54 I N -0.572 120.003 120.570 0.009 0.000 2.956 54 I HA 0.023 4.193 4.170 0.000 0.000 0.233 54 I C 0.883 177.001 176.117 0.003 0.000 1.054 54 I CA 0.268 61.571 61.300 0.005 0.000 1.456 54 I CB -0.621 37.377 38.000 -0.004 0.000 1.297 54 I HN 0.345 nan 8.210 nan 0.000 0.448 55 T N 0.309 114.854 114.554 -0.015 0.000 2.946 55 T HA 0.001 4.351 4.350 0.000 0.000 0.311 55 T C 0.347 175.053 174.700 0.010 0.000 1.063 55 T CA -0.144 61.950 62.100 -0.009 0.000 1.139 55 T CB 0.593 69.444 68.868 -0.028 0.000 0.994 55 T HN 0.238 nan 8.240 nan 0.000 0.547 56 E N 1.610 121.820 120.200 0.016 0.000 2.320 56 E HA 0.115 4.465 4.350 0.000 0.000 0.234 56 E C 0.533 177.152 176.600 0.031 0.000 1.290 56 E CA -0.231 56.183 56.400 0.024 0.000 1.545 56 E CB -0.075 29.635 29.700 0.016 0.000 1.379 56 E HN 0.843 nan 8.360 nan 0.000 0.437 57 S N -0.314 115.422 115.700 0.059 0.000 2.754 57 S HA 0.300 4.770 4.470 0.000 0.000 0.247 57 S C 0.107 174.821 174.600 0.190 0.000 1.031 57 S CA -0.572 57.686 58.200 0.097 0.000 1.014 57 S CB 0.188 63.457 63.200 0.115 0.000 0.918 57 S HN 0.180 nan 8.310 nan 0.000 0.519 58 M N 1.613 121.306 119.600 0.155 0.000 2.446 58 M HA 0.588 5.068 4.480 0.000 0.000 0.294 58 M C -2.352 173.998 176.300 0.083 0.000 1.158 58 M CA -0.947 54.487 55.300 0.222 0.000 0.899 58 M CB 2.316 35.038 32.600 0.204 0.000 1.687 58 M HN 0.364 nan 8.290 nan 0.000 0.455 59 L N 4.237 125.489 121.223 0.049 0.000 2.388 59 L HA 0.485 4.825 4.340 0.000 0.000 0.267 59 L C -0.827 176.046 176.870 0.006 0.000 0.995 59 L CA -0.241 54.596 54.840 -0.004 0.000 0.864 59 L CB 1.428 43.456 42.059 -0.051 0.000 1.216 59 L HN 0.816 nan 8.230 nan 0.000 0.430 60 E N 5.590 125.798 120.200 0.013 0.000 2.289 60 E HA 0.389 4.739 4.350 0.000 0.000 0.278 60 E C -1.141 175.465 176.600 0.011 0.000 1.032 60 E CA -0.502 55.906 56.400 0.013 0.000 0.854 60 E CB 0.906 30.612 29.700 0.011 0.000 1.046 60 E HN 0.609 nan 8.360 nan 0.000 0.409 61 M N 3.054 122.671 119.600 0.028 0.000 2.383 61 M HA 0.673 5.153 4.480 0.000 0.000 0.325 61 M C -0.859 175.458 176.300 0.029 0.000 1.092 61 M CA -0.867 54.456 55.300 0.037 0.000 0.961 61 M CB 2.259 34.908 32.600 0.083 0.000 1.672 61 M HN 0.416 nan 8.290 nan 0.000 0.438 62 A N 1.286 124.112 122.820 0.010 0.000 2.422 62 A HA 0.793 5.113 4.320 0.000 0.000 0.302 62 A C -0.030 177.538 177.584 -0.027 0.000 1.041 62 A CA -0.756 51.277 52.037 -0.007 0.000 0.708 62 A CB 1.148 20.130 19.000 -0.030 0.000 1.257 62 A HN 0.901 nan 8.150 nan 0.000 0.414 63 T N 0.341 114.878 114.554 -0.028 0.000 2.748 63 T HA 0.543 4.893 4.350 0.000 0.000 0.304 63 T C 0.900 175.545 174.700 -0.092 0.000 1.041 63 T CA 0.241 62.315 62.100 -0.044 0.000 1.033 63 T CB 0.751 69.601 68.868 -0.030 0.000 0.995 63 T HN 1.324 nan 8.240 nan 0.000 0.536 64 G N -0.395 108.352 108.800 -0.089 0.000 2.508 64 G HA2 0.472 4.432 3.960 0.000 0.000 0.278 64 G HA3 0.472 4.432 3.960 0.000 0.000 0.278 64 G C -0.389 174.434 174.900 -0.128 0.000 1.389 64 G CA -0.949 44.077 45.100 -0.124 0.000 1.050 64 G HN 0.864 nan 8.290 nan 0.000 0.522 65 V N -0.146 119.688 119.914 -0.132 0.000 2.446 65 V HA 0.188 4.308 4.120 0.000 0.000 0.276 65 V C 0.154 176.217 176.094 -0.051 0.000 1.030 65 V CA -0.335 61.905 62.300 -0.101 0.000 1.033 65 V CB -0.212 31.556 31.823 -0.092 0.000 0.993 65 V HN 0.608 nan 8.190 nan 0.000 0.477 66 C N 5.542 124.824 119.300 -0.029 0.000 2.411 66 C HA 0.484 4.944 4.460 0.000 0.000 0.330 66 C C 1.513 176.510 174.990 0.011 0.000 1.224 66 C CA -0.872 58.141 59.018 -0.009 0.000 1.770 66 C CB 1.473 29.209 27.740 -0.006 0.000 2.297 66 C HN 1.047 nan 8.230 nan 0.000 0.507 67 R N 0.874 121.382 120.500 0.012 0.000 2.276 67 R HA 0.254 4.594 4.340 0.000 0.000 0.196 67 R C -0.444 175.874 176.300 0.029 0.000 0.961 67 R CA 0.889 57.005 56.100 0.026 0.000 1.024 67 R CB -0.133 30.179 30.300 0.020 0.000 0.940 67 R HN 0.885 nan 8.270 nan 0.000 0.480 68 D N -1.226 119.184 120.400 0.017 0.000 2.725 68 D HA 0.047 4.687 4.640 0.000 0.000 0.292 68 D C 0.609 176.911 176.300 0.002 0.000 1.288 68 D CA -0.460 53.546 54.000 0.010 0.000 0.784 68 D CB 0.170 40.969 40.800 -0.001 0.000 1.308 68 D HN 0.011 nan 8.370 nan 0.000 0.429 69 I N -2.652 117.916 120.570 -0.004 0.000 2.756 69 I HA 0.031 4.201 4.170 0.000 0.000 0.262 69 I C 0.395 176.503 176.117 -0.014 0.000 1.225 69 I CA 1.020 62.315 61.300 -0.008 0.000 1.472 69 I CB -0.431 37.561 38.000 -0.013 0.000 1.094 69 I HN 0.151 nan 8.210 nan 0.000 0.454 70 D N 1.246 121.636 120.400 -0.016 0.000 2.103 70 D HA -0.222 4.418 4.640 0.000 0.000 0.199 70 D C 2.228 178.516 176.300 -0.019 0.000 0.978 70 D CA 1.432 55.420 54.000 -0.020 0.000 0.829 70 D CB -0.152 40.635 40.800 -0.021 0.000 0.981 70 D HN 0.528 nan 8.370 nan 0.000 0.464 71 Q N 0.386 120.177 119.800 -0.015 0.000 2.084 71 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 71 Q C 2.007 177.998 176.000 -0.016 0.000 0.978 71 Q CA 1.585 57.379 55.803 -0.015 0.000 0.844 71 Q CB -0.108 28.623 28.738 -0.012 0.000 0.898 71 Q HN 0.258 nan 8.270 nan 0.000 0.426 72 A N 0.793 123.606 122.820 -0.011 0.000 1.877 72 A HA -0.112 4.208 4.320 0.000 0.000 0.216 72 A C 2.321 179.898 177.584 -0.013 0.000 1.186 72 A CA 1.715 53.747 52.037 -0.008 0.000 0.620 72 A CB -1.128 17.873 19.000 0.001 0.000 0.822 72 A HN 0.574 nan 8.150 nan 0.000 0.443 73 A N -0.384 122.425 122.820 -0.018 0.000 1.933 73 A HA 0.174 4.494 4.320 0.000 0.000 0.218 73 A C 2.394 179.955 177.584 -0.038 0.000 1.175 73 A CA 2.073 54.094 52.037 -0.028 0.000 0.628 73 A CB -0.799 18.183 19.000 -0.030 0.000 0.814 73 A HN 1.079 nan 8.150 nan 0.000 0.444 74 A N -1.335 121.464 122.820 -0.034 0.000 2.072 74 A HA 0.002 4.322 4.320 0.000 0.000 0.216 74 A C 2.021 179.585 177.584 -0.033 0.000 1.156 74 A CA 1.037 53.051 52.037 -0.039 0.000 0.701 74 A CB -0.286 18.692 19.000 -0.036 0.000 0.816 74 A HN 0.619 nan 8.150 nan 0.000 0.458 75 Q N -0.426 119.360 119.800 -0.025 0.000 2.137 75 Q HA 0.038 4.379 4.340 0.000 0.000 0.198 75 Q C 1.894 177.887 176.000 -0.012 0.000 0.960 75 Q CA 0.826 56.618 55.803 -0.017 0.000 0.847 75 Q CB -0.177 28.551 28.738 -0.017 0.000 0.915 75 Q HN 0.639 nan 8.270 nan 0.000 0.448 76 L N 0.003 121.216 121.223 -0.017 0.000 2.046 76 L HA -0.174 4.166 4.340 0.000 0.000 0.208 76 L C 2.374 179.216 176.870 -0.047 0.000 1.077 76 L CA 0.929 55.759 54.840 -0.016 0.000 0.747 76 L CB -0.288 41.758 42.059 -0.022 0.000 0.896 76 L HN 0.157 nan 8.230 nan 0.000 0.432 77 S N -0.266 115.395 115.700 -0.066 0.000 2.383 77 S HA -0.100 4.370 4.470 0.000 0.000 0.227 77 S C 2.132 176.720 174.600 -0.020 0.000 1.026 77 S CA 1.073 59.226 58.200 -0.079 0.000 0.981 77 S CB -0.129 63.019 63.200 -0.086 0.000 0.818 77 S HN 0.488 nan 8.310 nan 0.000 0.472 78 A N 1.104 123.919 122.820 -0.009 0.000 1.972 78 A HA -0.034 4.286 4.320 0.000 0.000 0.219 78 A C 2.090 179.708 177.584 0.056 0.000 1.169 78 A CA 1.295 53.347 52.037 0.024 0.000 0.635 78 A CB -0.496 18.507 19.000 0.005 0.000 0.810 78 A HN 0.474 nan 8.150 nan 0.000 0.446 79 M N -1.525 118.098 119.600 0.040 0.000 2.193 79 M HA -0.129 4.351 4.480 0.000 0.000 0.265 79 M C 2.502 178.853 176.300 0.085 0.000 1.071 79 M CA 1.630 56.964 55.300 0.057 0.000 1.140 79 M CB -0.259 32.376 32.600 0.058 0.000 1.369 79 M HN 0.628 nan 8.290 nan 0.000 0.423 80 Q N 0.015 119.849 119.800 0.056 0.000 2.030 80 Q HA -0.276 4.065 4.340 0.000 0.000 0.204 80 Q C 2.112 178.157 176.000 0.074 0.000 0.986 80 Q CA 1.764 57.587 55.803 0.033 0.000 0.843 80 Q CB -0.339 28.245 28.738 -0.257 0.000 0.904 80 Q HN 0.593 nan 8.270 nan 0.000 0.420 81 H N -0.475 118.576 119.070 -0.030 0.000 2.319 81 H HA -0.137 4.420 4.556 0.000 0.000 0.297 81 H C 1.942 177.279 175.328 0.014 0.000 1.097 81 H CA 1.883 57.922 56.048 -0.015 0.000 1.285 81 H CB 0.178 29.924 29.762 -0.027 0.000 1.368 81 H HN 0.216 nan 8.280 nan 0.000 0.495 82 V N 1.045 120.935 119.914 -0.040 0.000 2.427 82 V HA -0.223 3.897 4.120 0.000 0.000 0.248 82 V C 2.800 178.868 176.094 -0.042 0.000 1.051 82 V CA 1.563 63.815 62.300 -0.080 0.000 1.048 82 V CB -0.442 31.382 31.823 0.001 0.000 0.666 82 V HN 0.339 nan 8.190 nan 0.000 0.456 83 I N -0.406 120.181 120.570 0.029 0.000 2.163 83 I HA -0.241 3.929 4.170 0.000 0.000 0.240 83 I C 2.297 178.452 176.117 0.062 0.000 1.081 83 I CA 1.631 62.971 61.300 0.066 0.000 1.353 83 I CB -0.297 37.797 38.000 0.157 0.000 1.054 83 I HN 0.217 nan 8.210 nan 0.000 0.407 84 L N -0.039 121.240 121.223 0.093 0.000 2.187 84 L HA -0.250 4.090 4.340 0.000 0.000 0.213 84 L C 2.658 179.524 176.870 -0.007 0.000 1.100 84 L CA 1.019 55.904 54.840 0.076 0.000 0.765 84 L CB -0.638 41.476 42.059 0.091 0.000 0.904 84 L HN 0.398 nan 8.230 nan 0.000 0.437 85 Q N 0.059 119.812 119.800 -0.079 0.000 1.965 85 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 85 Q C 2.386 178.354 176.000 -0.054 0.000 0.981 85 Q CA 1.941 57.679 55.803 -0.108 0.000 0.834 85 Q CB -0.322 28.302 28.738 -0.190 0.000 0.900 85 Q HN 0.501 nan 8.270 nan 0.000 0.426 86 A N 0.448 123.255 122.820 -0.021 0.000 2.178 86 A HA -0.012 4.308 4.320 0.000 0.000 0.218 86 A C 2.094 179.739 177.584 0.102 0.000 1.157 86 A CA 1.532 53.597 52.037 0.047 0.000 0.689 86 A CB -0.392 18.650 19.000 0.069 0.000 0.787 86 A HN 0.382 nan 8.150 nan 0.000 0.465 87 A N -0.847 121.997 122.820 0.041 0.000 1.874 87 A HA 0.029 4.349 4.320 0.000 0.000 0.214 87 A C 2.394 179.974 177.584 -0.006 0.000 1.189 87 A CA 1.622 53.680 52.037 0.036 0.000 0.615 87 A CB -0.902 18.114 19.000 0.028 0.000 0.830 87 A HN 0.397 nan 8.150 nan 0.000 0.443 88 S N -0.245 115.433 115.700 -0.037 0.000 2.372 88 S HA -0.240 4.231 4.470 0.000 0.000 0.227 88 S C 1.890 176.340 174.600 -0.251 0.000 1.044 88 S CA 1.818 59.962 58.200 -0.094 0.000 1.050 88 S CB -0.365 62.793 63.200 -0.070 0.000 0.901 88 S HN 0.658 nan 8.310 nan 0.000 0.447 89 E N -0.615 119.445 120.200 -0.234 0.000 2.204 89 E HA -0.127 4.223 4.350 0.000 0.000 0.194 89 E C 1.026 177.269 176.600 -0.595 0.000 0.989 89 E CA 0.898 57.066 56.400 -0.387 0.000 0.824 89 E CB -0.033 29.487 29.700 -0.299 0.000 0.756 89 E HN 0.634 nan 8.360 nan 0.000 0.477 90 H N -1.199 117.706 119.070 -0.275 0.000 2.549 90 H HA 0.144 4.700 4.556 0.000 0.000 0.279 90 H C -0.575 174.713 175.328 -0.067 0.000 1.018 90 H CA -0.006 55.955 56.048 -0.146 0.000 1.175 90 H CB 0.243 29.976 29.762 -0.048 0.000 1.485 90 H HN 0.155 nan 8.280 nan 0.000 0.543 91 H N -0.483 118.617 119.070 0.050 0.000 2.756 91 H HA -0.160 4.396 4.556 0.000 0.000 0.315 91 H C -0.543 174.787 175.328 0.003 0.000 1.210 91 H CA 0.561 56.616 56.048 0.012 0.000 1.150 91 H CB -2.109 27.650 29.762 -0.006 0.000 1.463 91 H HN 0.356 nan 8.280 nan 0.000 0.427 92 L N -0.509 120.752 121.223 0.063 0.000 2.301 92 L HA 0.787 5.127 4.340 0.000 0.000 0.264 92 L C 1.121 177.997 176.870 0.009 0.000 1.016 92 L CA -0.636 54.218 54.840 0.024 0.000 0.821 92 L CB 2.224 44.292 42.059 0.016 0.000 1.346 92 L HN 0.271 nan 8.230 nan 0.000 0.429 93 G N 0.697 109.492 108.800 -0.008 0.000 2.568 93 G HA2 0.773 4.733 3.960 0.000 0.000 0.313 93 G HA3 0.773 4.733 3.960 0.000 0.000 0.313 93 G C -1.243 173.620 174.900 -0.061 0.000 1.227 93 G CA -0.383 44.721 45.100 0.006 0.000 0.979 93 G HN 0.243 nan 8.290 nan 0.000 0.486 94 I N 0.299 120.809 120.570 -0.099 0.000 2.571 94 I HA 0.428 4.598 4.170 0.000 0.000 0.289 94 I C -0.081 175.780 176.117 -0.428 0.000 1.115 94 I CA -0.525 60.593 61.300 -0.304 0.000 1.045 94 I CB 1.027 38.803 38.000 -0.375 0.000 1.238 94 I HN 0.842 nan 8.210 nan 0.000 0.424 95 C N 2.525 121.493 119.300 -0.554 0.000 3.291 95 C HA 0.978 5.438 4.460 0.000 0.000 0.316 95 C C 0.451 175.040 174.990 -0.669 0.000 1.391 95 C CA -0.481 58.189 59.018 -0.580 0.000 1.394 95 C CB 1.196 28.777 27.740 -0.265 0.000 1.744 95 C HN 0.868 nan 8.230 nan 0.000 0.461 96 G N -0.671 107.816 108.800 -0.522 0.000 2.641 96 G HA2 0.839 4.799 3.960 0.000 0.000 0.239 96 G HA3 0.839 4.799 3.960 0.000 0.000 0.239 96 G C 0.256 174.965 174.900 -0.318 0.000 1.402 96 G CA -0.133 44.741 45.100 -0.376 0.000 1.046 96 G HN 2.651 nan 8.290 nan 0.000 0.565 97 G N -3.023 105.654 108.800 -0.205 0.000 2.742 97 G HA2 0.418 4.378 3.960 0.000 0.000 0.686 97 G HA3 0.418 4.378 3.960 0.000 0.000 0.686 97 G C 0.707 175.600 174.900 -0.012 0.000 1.220 97 G CA 0.091 45.115 45.100 -0.127 0.000 0.783 97 G HN 1.534 nan 8.290 nan 0.000 0.646 98 G N -0.311 108.528 108.800 0.064 0.000 2.448 98 G HA2 0.444 4.404 3.960 0.000 0.000 0.218 98 G HA3 0.444 4.404 3.960 0.000 0.000 0.218 98 G C 1.015 176.048 174.900 0.222 0.000 1.135 98 G CA 2.292 47.481 45.100 0.148 0.000 0.784 98 G HN 1.973 nan 8.290 nan 0.000 0.543 99 T N -3.832 110.828 114.554 0.177 0.000 2.901 99 T HA 0.465 4.815 4.350 0.000 0.000 0.293 99 T C -1.079 173.723 174.700 0.169 0.000 1.084 99 T CA -0.881 61.352 62.100 0.221 0.000 1.008 99 T CB 2.320 71.270 68.868 0.137 0.000 1.170 99 T HN 0.036 nan 8.240 nan 0.000 0.509 100 H N 1.854 120.979 119.070 0.091 0.000 2.742 100 H HA 0.296 4.852 4.556 0.000 0.000 0.302 100 H C -1.990 173.293 175.328 -0.075 0.000 1.069 100 H CA -2.010 53.995 56.048 -0.072 0.000 1.446 100 H CB 1.470 31.158 29.762 -0.123 0.000 1.462 100 H HN 0.340 nan 8.280 nan 0.000 0.499 101 P HA -0.156 nan 4.420 nan 0.000 0.218 101 P C 0.302 177.794 177.300 0.319 0.000 1.146 101 P CA 1.533 64.761 63.100 0.214 0.000 0.813 101 P CB -0.016 31.740 31.700 0.093 0.000 0.778 102 F N -4.707 115.440 119.950 0.327 0.000 2.964 102 F HA 0.415 4.942 4.527 0.000 0.000 0.371 102 F C 0.363 176.145 175.800 -0.031 0.000 1.026 102 F CA -0.843 57.224 58.000 0.111 0.000 1.106 102 F CB -0.924 38.123 39.000 0.078 0.000 1.135 102 F HN -0.361 nan 8.300 nan 0.000 0.557 103 Q N 4.629 124.159 119.800 -0.450 0.000 2.315 103 Q HA 0.138 4.478 4.340 0.000 0.000 0.289 103 Q C 0.038 175.983 176.000 -0.091 0.000 1.044 103 Q CA 0.284 55.873 55.803 -0.357 0.000 0.920 103 Q CB 0.677 29.032 28.738 -0.639 0.000 1.214 103 Q HN 0.575 nan 8.270 nan 0.000 0.392 104 K N 2.150 122.537 120.400 -0.022 0.000 2.139 104 K HA 0.484 4.804 4.320 0.000 0.000 0.243 104 K C 0.260 176.851 176.600 -0.014 0.000 0.983 104 K CA -0.133 56.156 56.287 0.003 0.000 0.890 104 K CB -0.048 32.471 32.500 0.032 0.000 1.090 104 K HN 0.708 nan 8.250 nan 0.000 0.445 119 T N 2.080 116.702 114.554 0.114 0.000 3.035 119 T HA 0.089 4.439 4.350 0.000 0.000 0.268 119 T C 1.606 176.441 174.700 0.226 0.000 1.109 119 T CA 0.999 63.225 62.100 0.210 0.000 1.119 119 T CB -0.023 68.981 68.868 0.227 0.000 0.900 119 T HN 0.091 nan 8.240 nan 0.000 0.503 120 L N 0.688 121.991 121.223 0.133 0.000 2.056 120 L HA -0.085 4.255 4.340 0.000 0.000 0.207 120 L C 2.814 179.729 176.870 0.076 0.000 1.078 120 L CA 1.392 56.298 54.840 0.109 0.000 0.749 120 L CB -0.227 41.874 42.059 0.071 0.000 0.901 120 L HN 0.197 nan 8.230 nan 0.000 0.433 121 E N -0.083 120.141 120.200 0.040 0.000 2.031 121 E HA -0.248 4.102 4.350 0.000 0.000 0.193 121 E C 1.859 178.422 176.600 -0.062 0.000 0.994 121 E CA 1.201 57.599 56.400 -0.004 0.000 0.800 121 E CB -0.345 29.348 29.700 -0.013 0.000 0.752 121 E HN 0.403 nan 8.360 nan 0.000 0.447 122 N N -0.509 118.124 118.700 -0.112 0.000 2.205 122 N HA -0.133 4.607 4.740 0.000 0.000 0.186 122 N C 0.965 176.105 175.510 -0.616 0.000 1.015 122 N CA 1.085 53.897 53.050 -0.397 0.000 0.862 122 N CB -0.031 38.147 38.487 -0.514 0.000 0.986 122 N HN 0.060 nan 8.380 nan 0.000 0.429 123 F N -1.715 118.227 119.950 -0.013 0.000 2.817 123 F HA 0.381 4.908 4.527 0.000 0.000 0.333 123 F C 1.593 177.347 175.800 -0.077 0.000 1.085 123 F CA 0.273 58.218 58.000 -0.091 0.000 1.170 123 F CB 0.154 39.099 39.000 -0.092 0.000 1.066 123 F HN 0.028 nan 8.300 nan 0.000 0.564 124 G N 1.768 110.648 108.800 0.133 0.000 2.596 124 G HA2 -0.446 3.514 3.960 0.000 0.000 0.295 124 G HA3 -0.446 3.514 3.960 0.000 0.000 0.295 124 G C 0.890 175.888 174.900 0.162 0.000 1.240 124 G CA 0.711 45.901 45.100 0.150 0.000 0.985 124 G HN 0.586 nan 8.290 nan 0.000 0.555 125 Y N 0.594 120.905 120.300 0.019 0.000 2.680 125 Y HA 0.411 4.961 4.550 0.000 0.000 0.303 125 Y C 2.465 178.371 175.900 0.009 0.000 1.166 125 Y CA 1.159 59.266 58.100 0.011 0.000 1.344 125 Y CB -0.251 38.208 38.460 -0.001 0.000 1.002 125 Y HN 0.337 nan 8.280 nan 0.000 0.537 126 L N 1.065 121.998 121.223 -0.483 0.000 2.156 126 L HA -0.079 4.261 4.340 0.000 0.000 0.208 126 L C 1.742 178.524 176.870 -0.146 0.000 1.095 126 L CA 1.099 55.656 54.840 -0.472 0.000 0.770 126 L CB -0.271 41.493 42.059 -0.492 0.000 0.914 126 L HN 0.499 nan 8.230 nan 0.000 0.439 127 I N -3.930 116.621 120.570 -0.031 0.000 3.858 127 I HA 0.071 4.241 4.170 0.000 0.000 0.325 127 I C 0.951 177.050 176.117 -0.031 0.000 1.403 127 I CA 0.346 61.643 61.300 -0.005 0.000 1.169 127 I CB 0.017 38.052 38.000 0.058 0.000 1.077 127 I HN 0.083 nan 8.210 nan 0.000 0.403 128 Q N 0.677 120.455 119.800 -0.036 0.000 2.110 128 Q HA 0.315 4.655 4.340 0.000 0.000 0.232 128 Q C 0.297 176.286 176.000 -0.018 0.000 0.810 128 Q CA -0.136 55.662 55.803 -0.008 0.000 1.083 128 Q CB 0.826 29.591 28.738 0.046 0.000 1.193 128 Q HN 0.648 nan 8.270 nan 0.000 0.471 129 Q N 0.179 119.941 119.800 -0.064 0.000 2.846 129 Q HA 0.548 4.888 4.340 0.000 0.000 0.185 129 Q C -0.030 175.922 176.000 -0.080 0.000 1.105 129 Q CA -0.497 55.268 55.803 -0.064 0.000 0.724 129 Q CB 0.313 28.992 28.738 -0.098 0.000 4.033 129 Q HN 0.272 nan 8.270 nan 0.000 0.373 130 A N 1.173 123.939 122.820 -0.091 0.000 2.540 130 A HA 0.164 4.484 4.320 0.000 0.000 0.239 130 A C 0.218 177.711 177.584 -0.151 0.000 1.061 130 A CA 0.278 52.264 52.037 -0.086 0.000 0.758 130 A CB -0.326 18.638 19.000 -0.060 0.000 0.991 130 A HN 0.523 nan 8.150 nan 0.000 0.502 131 T N 0.329 114.800 114.554 -0.138 0.000 2.899 131 T HA 0.499 4.849 4.350 0.000 0.000 0.295 131 T C -0.220 174.241 174.700 -0.400 0.000 1.033 131 T CA -0.386 61.550 62.100 -0.274 0.000 1.084 131 T CB 0.844 69.561 68.868 -0.250 0.000 0.979 131 T HN 1.040 nan 8.240 nan 0.000 0.532 132 V N 3.181 122.687 119.914 -0.680 0.000 2.971 132 V HA 0.717 4.837 4.120 0.000 0.000 0.309 132 V C -1.625 174.068 176.094 -0.669 0.000 1.130 132 V CA -1.072 60.939 62.300 -0.482 0.000 0.964 132 V CB 2.088 33.734 31.823 -0.295 0.000 1.029 132 V HN 0.953 nan 8.190 nan 0.000 0.427 133 F N 3.351 123.309 119.950 0.013 0.000 2.539 133 F HA 0.786 5.313 4.527 0.000 0.000 0.328 133 F C 0.578 176.390 175.800 0.020 0.000 1.148 133 F CA -0.423 57.575 58.000 -0.003 0.000 0.940 133 F CB 2.189 41.165 39.000 -0.040 0.000 1.194 133 F HN 0.592 nan 8.300 nan 0.000 0.438 134 G N 1.697 110.583 108.800 0.143 0.000 2.498 134 G HA2 0.550 4.510 3.960 0.000 0.000 0.312 134 G HA3 0.550 4.510 3.960 0.000 0.000 0.312 134 G C -2.005 172.937 174.900 0.069 0.000 1.230 134 G CA -0.756 44.423 45.100 0.132 0.000 0.968 134 G HN 0.540 nan 8.290 nan 0.000 0.481 135 Q N -0.117 119.766 119.800 0.137 0.000 2.271 135 Q HA 0.383 4.723 4.340 0.000 0.000 0.258 135 Q C -0.953 175.216 176.000 0.282 0.000 0.936 135 Q CA -0.569 55.310 55.803 0.127 0.000 0.909 135 Q CB 0.804 29.610 28.738 0.113 0.000 1.253 135 Q HN 0.733 nan 8.270 nan 0.000 0.440 136 H N 1.613 120.714 119.070 0.050 0.000 2.492 136 H HA 0.539 5.095 4.556 0.000 0.000 0.345 136 H C -1.008 174.334 175.328 0.022 0.000 1.136 136 H CA -1.219 54.841 56.048 0.019 0.000 1.202 136 H CB 2.081 31.854 29.762 0.019 0.000 1.524 136 H HN 0.332 nan 8.280 nan 0.000 0.506 137 V N 4.041 124.003 119.914 0.080 0.000 2.487 137 V HA 0.114 4.234 4.120 0.000 0.000 0.298 137 V C -0.207 175.878 176.094 -0.015 0.000 1.028 137 V CA -0.752 61.581 62.300 0.055 0.000 0.860 137 V CB 1.445 33.272 31.823 0.007 0.000 0.991 137 V HN 0.804 nan 8.190 nan 0.000 0.427 138 H N 2.989 122.102 119.070 0.071 0.000 2.467 138 H HA 0.662 5.218 4.556 0.000 0.000 0.331 138 H C -0.940 174.433 175.328 0.076 0.000 1.120 138 H CA -0.331 55.764 56.048 0.077 0.000 1.270 138 H CB 2.343 32.138 29.762 0.056 0.000 1.466 138 H HN 0.396 nan 8.280 nan 0.000 0.504 139 V N 1.933 121.966 119.914 0.199 0.000 2.638 139 V HA 0.312 4.432 4.120 0.000 0.000 0.306 139 V C 0.722 176.915 176.094 0.164 0.000 1.052 139 V CA -1.085 61.322 62.300 0.177 0.000 0.885 139 V CB 1.857 33.791 31.823 0.184 0.000 0.999 139 V HN 0.945 nan 8.190 nan 0.000 0.424 140 G N 2.014 110.888 108.800 0.124 0.000 2.483 140 G HA2 0.434 4.394 3.960 0.000 0.000 0.248 140 G HA3 0.434 4.394 3.960 0.000 0.000 0.248 140 G C -0.380 174.532 174.900 0.020 0.000 1.248 140 G CA 0.008 45.157 45.100 0.082 0.000 0.838 140 G HN 0.815 nan 8.290 nan 0.000 0.566 141 C N 0.368 119.710 119.300 0.071 0.000 2.994 141 C HA 0.660 5.120 4.460 0.000 0.000 0.304 141 C C 1.533 176.529 174.990 0.010 0.000 1.273 141 C CA 0.174 59.197 59.018 0.008 0.000 1.537 141 C CB 1.595 29.368 27.740 0.054 0.000 2.001 141 C HN 0.959 nan 8.230 nan 0.000 0.471 142 A N 1.605 124.361 122.820 -0.107 0.000 1.898 142 A HA -0.039 4.281 4.320 0.000 0.000 0.214 142 A C 1.401 178.926 177.584 -0.098 0.000 1.183 142 A CA 2.248 54.221 52.037 -0.105 0.000 0.622 142 A CB -0.346 18.572 19.000 -0.137 0.000 0.824 142 A HN 1.045 nan 8.150 nan 0.000 0.444 143 N N -5.429 113.134 118.700 -0.228 0.000 1.952 143 N HA 0.322 5.062 4.740 0.000 0.000 0.231 143 N C 0.870 175.898 175.510 -0.804 0.000 1.378 143 N CA 1.308 54.162 53.050 -0.326 0.000 0.828 143 N CB 0.483 38.828 38.487 -0.238 0.000 1.097 143 N HN 0.741 nan 8.380 nan 0.000 0.476 144 G N 0.353 108.365 108.800 -1.312 0.000 2.424 144 G HA2 -0.303 3.657 3.960 0.000 0.000 0.207 144 G HA3 -0.303 3.657 3.960 0.000 0.000 0.207 144 G C 0.624 175.049 174.900 -0.792 0.000 1.061 144 G CA 0.408 44.336 45.100 -1.954 0.000 0.657 144 G HN 0.241 nan 8.290 nan 0.000 0.508 145 D N 1.239 121.398 120.400 -0.401 0.000 2.117 145 D HA 0.018 4.658 4.640 0.000 0.000 0.197 145 D C 1.963 178.185 176.300 -0.130 0.000 0.987 145 D CA 1.333 55.253 54.000 -0.133 0.000 0.829 145 D CB -0.239 40.515 40.800 -0.076 0.000 0.961 145 D HN 0.414 nan 8.370 nan 0.000 0.460 146 D N 0.210 120.483 120.400 -0.211 0.000 2.149 146 D HA -0.121 4.519 4.640 0.000 0.000 0.198 146 D C 1.967 178.212 176.300 -0.092 0.000 0.990 146 D CA 1.236 55.158 54.000 -0.131 0.000 0.839 146 D CB -0.310 40.387 40.800 -0.171 0.000 0.948 146 D HN 0.156 nan 8.370 nan 0.000 0.460 147 A N 0.997 123.648 122.820 -0.283 0.000 1.908 147 A HA -0.165 4.155 4.320 0.000 0.000 0.218 147 A C 2.172 179.695 177.584 -0.101 0.000 1.181 147 A CA 0.960 52.874 52.037 -0.205 0.000 0.627 147 A CB -0.462 18.274 19.000 -0.440 0.000 0.818 147 A HN 0.131 nan 8.150 nan 0.000 0.445 148 I N -1.770 118.734 120.570 -0.111 0.000 2.252 148 I HA -0.189 3.981 4.170 0.000 0.000 0.245 148 I C 2.360 178.393 176.117 -0.140 0.000 1.102 148 I CA 1.336 62.538 61.300 -0.162 0.000 1.385 148 I CB -1.558 36.391 38.000 -0.085 0.000 1.064 148 I HN 0.562 nan 8.210 nan 0.000 0.414 149 Y N 1.591 121.859 120.300 -0.053 0.000 2.128 149 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 149 Y C 2.559 178.510 175.900 0.084 0.000 1.154 149 Y CA 1.649 59.788 58.100 0.066 0.000 1.149 149 Y CB -0.232 38.255 38.460 0.046 0.000 0.976 149 Y HN 0.079 nan 8.280 nan 0.000 0.505 150 L N 0.184 121.530 121.223 0.204 0.000 2.046 150 L HA -0.172 4.168 4.340 0.000 0.000 0.208 150 L C 2.304 179.236 176.870 0.103 0.000 1.077 150 L CA 1.677 56.627 54.840 0.184 0.000 0.747 150 L CB -1.035 41.136 42.059 0.187 0.000 0.896 150 L HN 0.479 nan 8.230 nan 0.000 0.432 151 L N -1.305 119.920 121.223 0.003 0.000 1.989 151 L HA -0.273 4.067 4.340 0.000 0.000 0.211 151 L C 2.643 179.526 176.870 0.022 0.000 1.071 151 L CA 1.539 56.367 54.840 -0.020 0.000 0.749 151 L CB -0.623 41.339 42.059 -0.161 0.000 0.890 151 L HN 0.395 nan 8.230 nan 0.000 0.431 152 H N -0.384 118.715 119.070 0.049 0.000 2.352 152 H HA -0.119 4.437 4.556 0.000 0.000 0.299 152 H C 2.107 177.388 175.328 -0.077 0.000 1.097 152 H CA 1.329 57.398 56.048 0.036 0.000 1.311 152 H CB -0.852 28.928 29.762 0.029 0.000 1.377 152 H HN 0.529 nan 8.280 nan 0.000 0.504 153 G N 0.649 109.477 108.800 0.047 0.000 2.421 153 G HA2 -0.173 3.788 3.960 0.000 0.000 0.216 153 G HA3 -0.173 3.788 3.960 0.000 0.000 0.216 153 G C 1.892 176.941 174.900 0.249 0.000 1.171 153 G CA 0.546 45.717 45.100 0.118 0.000 0.775 153 G HN 0.312 nan 8.290 nan 0.000 0.543 154 L N 0.886 122.278 121.223 0.282 0.000 2.275 154 L HA -0.008 4.332 4.340 0.000 0.000 0.215 154 L C 2.974 179.968 176.870 0.208 0.000 1.119 154 L CA 0.587 55.653 54.840 0.376 0.000 0.790 154 L CB -0.107 42.199 42.059 0.411 0.000 0.919 154 L HN 0.152 nan 8.230 nan 0.000 0.443 155 S N -1.332 114.443 115.700 0.124 0.000 2.423 155 S HA -0.196 4.274 4.470 0.000 0.000 0.231 155 S C 1.870 176.435 174.600 -0.058 0.000 1.014 155 S CA 0.831 59.100 58.200 0.117 0.000 0.965 155 S CB -0.281 62.954 63.200 0.058 0.000 0.785 155 S HN 0.513 nan 8.310 nan 0.000 0.495 156 H N 0.391 119.209 119.070 -0.420 0.000 2.457 156 H HA 0.057 4.613 4.556 0.000 0.000 0.294 156 H C 0.410 175.178 175.328 -0.933 0.000 1.064 156 H CA 1.069 56.675 56.048 -0.736 0.000 1.330 156 H CB -0.134 28.980 29.762 -1.080 0.000 1.395 156 H HN 0.392 nan 8.280 nan 0.000 0.541 157 F N -1.037 118.611 119.950 -0.503 0.000 2.750 157 F HA 0.224 4.751 4.527 0.000 0.000 0.297 157 F C 1.628 176.862 175.800 -0.943 0.000 1.138 157 F CA -0.194 57.233 58.000 -0.954 0.000 1.346 157 F CB 0.022 38.348 39.000 -1.124 0.000 0.965 157 F HN -0.024 nan 8.300 nan 0.000 0.514 158 V N 1.785 121.484 119.914 -0.357 0.000 2.358 158 V HA -0.156 3.964 4.120 0.000 0.000 0.246 158 V C -0.284 175.777 176.094 -0.056 0.000 1.047 158 V CA 1.944 64.167 62.300 -0.128 0.000 1.035 158 V CB -0.908 30.925 31.823 0.016 0.000 0.658 158 V HN 0.187 nan 8.190 nan 0.000 0.452 159 P HA -0.139 nan 4.420 nan 0.000 0.215 159 P C 1.201 178.523 177.300 0.037 0.000 1.157 159 P CA 1.598 64.680 63.100 -0.030 0.000 0.868 159 P CB -0.115 31.536 31.700 -0.082 0.000 0.788 160 H N -1.624 117.377 119.070 -0.115 0.000 2.290 160 H HA -0.112 4.444 4.556 0.000 0.000 0.298 160 H C 1.788 177.193 175.328 0.128 0.000 1.087 160 H CA 1.295 57.331 56.048 -0.020 0.000 1.291 160 H CB -1.494 28.250 29.762 -0.030 0.000 1.369 160 H HN 0.075 nan 8.280 nan 0.000 0.492 161 F N 0.256 120.343 119.950 0.228 0.000 2.126 161 F HA -0.126 4.401 4.527 0.000 0.000 0.299 161 F C 2.534 178.395 175.800 0.103 0.000 1.096 161 F CA 0.684 58.770 58.000 0.144 0.000 1.255 161 F CB -1.169 37.916 39.000 0.141 0.000 0.997 161 F HN 0.124 nan 8.300 nan 0.000 0.479 162 I N -0.190 120.542 120.570 0.269 0.000 2.226 162 I HA -0.288 3.882 4.170 0.000 0.000 0.245 162 I C 2.527 178.710 176.117 0.109 0.000 1.100 162 I CA 1.367 62.764 61.300 0.161 0.000 1.374 162 I CB -0.616 37.446 38.000 0.102 0.000 1.057 162 I HN 0.077 nan 8.210 nan 0.000 0.413 163 A N 0.268 123.140 122.820 0.086 0.000 2.016 163 A HA -0.031 4.289 4.320 0.000 0.000 0.217 163 A C 2.229 179.844 177.584 0.051 0.000 1.162 163 A CA 0.869 52.930 52.037 0.040 0.000 0.662 163 A CB -0.559 18.439 19.000 -0.003 0.000 0.812 163 A HN 0.372 nan 8.150 nan 0.000 0.450 164 L N 0.177 121.460 121.223 0.099 0.000 2.217 164 L HA -0.095 4.245 4.340 0.000 0.000 0.211 164 L C 2.253 179.174 176.870 0.085 0.000 1.107 164 L CA 1.487 56.382 54.840 0.091 0.000 0.783 164 L CB -0.072 42.068 42.059 0.135 0.000 0.919 164 L HN 0.576 nan 8.230 nan 0.000 0.442 165 S N -1.594 114.165 115.700 0.099 0.000 2.603 165 S HA 0.333 4.803 4.470 0.000 0.000 0.232 165 S C 0.810 175.453 174.600 0.072 0.000 1.016 165 S CA -0.197 58.061 58.200 0.095 0.000 0.976 165 S CB 0.212 63.478 63.200 0.110 0.000 0.921 165 S HN 0.126 nan 8.310 nan 0.000 0.516 166 A N 1.412 124.264 122.820 0.053 0.000 2.548 166 A HA 0.615 4.936 4.320 0.000 0.000 0.247 166 A C 0.769 178.366 177.584 0.022 0.000 1.067 166 A CA 0.370 52.429 52.037 0.037 0.000 0.757 166 A CB -0.304 18.706 19.000 0.017 0.000 0.996 166 A HN 1.361 nan 8.150 nan 0.000 0.504 167 A N 2.488 125.324 122.820 0.028 0.000 3.214 167 A HA 0.533 4.853 4.320 0.000 0.000 0.203 167 A C 0.164 177.768 177.584 0.034 0.000 0.960 167 A CA 0.362 52.407 52.037 0.015 0.000 1.113 167 A CB -0.398 18.597 19.000 -0.009 0.000 1.280 167 A HN 1.855 nan 8.150 nan 0.000 0.573 168 S N -0.670 115.053 115.700 0.037 0.000 2.606 168 S HA 0.349 4.819 4.470 0.000 0.000 0.156 168 S C -2.249 172.356 174.600 0.009 0.000 1.308 168 S CA -0.499 57.730 58.200 0.049 0.000 1.228 168 S CB 0.750 63.982 63.200 0.053 0.000 1.568 168 S HN 0.178 nan 8.310 nan 0.000 0.397 169 P HA 0.137 nan 4.420 nan 0.000 0.230 169 P C -0.520 176.591 177.300 -0.314 0.000 1.168 169 P CA 0.578 63.542 63.100 -0.226 0.000 0.793 169 P CB -0.135 31.321 31.700 -0.406 0.000 0.851 170 Y N 0.030 120.376 120.300 0.078 0.000 2.331 170 Y HA 0.599 5.149 4.550 0.000 0.000 0.338 170 Y C 0.632 176.580 175.900 0.079 0.000 0.976 170 Y CA -0.671 57.481 58.100 0.087 0.000 1.137 170 Y CB 1.349 39.872 38.460 0.104 0.000 1.172 170 Y HN -0.224 nan 8.280 nan 0.000 0.478 171 M N 2.094 121.821 119.600 0.212 0.000 2.457 171 M HA 0.294 4.774 4.480 0.000 0.000 0.300 171 M C -0.556 175.830 176.300 0.144 0.000 1.141 171 M CA -0.519 54.864 55.300 0.138 0.000 0.901 171 M CB 2.070 34.701 32.600 0.051 0.000 1.687 171 M HN 0.783 nan 8.290 nan 0.000 0.449 172 Q N 2.324 122.200 119.800 0.127 0.000 2.435 172 Q HA -0.241 4.099 4.340 0.000 0.000 0.312 172 Q C 0.642 176.728 176.000 0.143 0.000 1.333 172 Q CA 1.331 57.203 55.803 0.115 0.000 0.883 172 Q CB -1.471 27.310 28.738 0.072 0.000 1.170 172 Q HN 1.242 nan 8.270 nan 0.000 0.443 173 G N -2.980 105.940 108.800 0.201 0.000 2.225 173 G HA2 -0.208 3.752 3.960 0.000 0.000 0.254 173 G HA3 -0.208 3.752 3.960 0.000 0.000 0.254 173 G C 0.079 175.083 174.900 0.172 0.000 0.988 173 G CA -0.024 45.182 45.100 0.177 0.000 0.625 173 G HN 1.210 nan 8.290 nan 0.000 0.527 174 A N -0.522 122.422 122.820 0.206 0.000 2.469 174 A HA 0.653 4.973 4.320 0.000 0.000 0.299 174 A C -0.776 176.981 177.584 0.287 0.000 1.098 174 A CA 0.082 52.250 52.037 0.219 0.000 0.737 174 A CB 1.392 20.476 19.000 0.140 0.000 1.312 174 A HN 0.261 nan 8.150 nan 0.000 0.414 175 D N 1.105 121.666 120.400 0.268 0.000 2.383 175 D HA 0.201 4.841 4.640 0.000 0.000 0.252 175 D C 1.429 177.766 176.300 0.062 0.000 1.166 175 D CA 0.934 54.995 54.000 0.102 0.000 0.879 175 D CB 1.234 42.096 40.800 0.103 0.000 1.164 175 D HN 0.587 nan 8.370 nan 0.000 0.462 176 T N 1.092 115.660 114.554 0.023 0.000 3.065 176 T HA 0.024 4.374 4.350 0.000 0.000 0.252 176 T C 1.107 175.910 174.700 0.172 0.000 1.099 176 T CA -0.145 62.013 62.100 0.096 0.000 1.063 176 T CB 0.213 69.120 68.868 0.065 0.000 0.948 176 T HN 0.517 nan 8.240 nan 0.000 0.506 177 R N -0.874 119.666 120.500 0.066 0.000 3.954 177 R HA -0.113 4.227 4.340 0.000 0.000 0.422 177 R C -0.774 175.473 176.300 -0.088 0.000 1.091 177 R CA 0.567 56.667 56.100 -0.000 0.000 1.168 177 R CB -2.694 27.602 30.300 -0.006 0.000 1.752 177 R HN 0.557 nan 8.270 nan 0.000 0.547 178 F N -0.446 119.404 119.950 -0.168 0.000 2.425 178 F HA 0.475 5.002 4.527 0.000 0.000 0.331 178 F C 1.694 177.389 175.800 -0.174 0.000 1.085 178 F CA 0.169 58.043 58.000 -0.211 0.000 1.028 178 F CB 1.305 40.183 39.000 -0.202 0.000 1.177 178 F HN -0.045 nan 8.300 nan 0.000 0.487 179 A N 1.263 124.071 122.820 -0.020 0.000 1.898 179 A HA -0.049 4.271 4.320 0.000 0.000 0.214 179 A C 0.653 178.250 177.584 0.022 0.000 1.183 179 A CA 0.729 52.754 52.037 -0.020 0.000 0.622 179 A CB -0.413 18.562 19.000 -0.041 0.000 0.824 179 A HN 0.657 nan 8.150 nan 0.000 0.444 180 C N -0.267 119.071 119.300 0.064 0.000 2.335 180 C HA 0.742 5.202 4.460 0.000 0.000 0.318 180 C C 1.233 176.256 174.990 0.055 0.000 1.150 180 C CA -0.348 58.707 59.018 0.062 0.000 1.466 180 C CB 0.009 27.785 27.740 0.059 0.000 2.024 180 C HN 0.558 nan 8.230 nan 0.000 0.429 181 A N 4.847 127.653 122.820 -0.024 0.000 2.220 181 A HA 0.133 4.453 4.320 0.000 0.000 0.211 181 A C 2.183 179.682 177.584 -0.143 0.000 1.176 181 A CA 0.434 52.351 52.037 -0.201 0.000 0.834 181 A CB -0.306 18.570 19.000 -0.208 0.000 0.868 181 A HN 0.929 nan 8.150 nan 0.000 0.488 182 R N 0.367 120.843 120.500 -0.041 0.000 2.094 182 R HA -0.134 4.206 4.340 0.000 0.000 0.239 182 R C 1.467 177.771 176.300 0.006 0.000 1.137 182 R CA 2.068 58.160 56.100 -0.013 0.000 0.943 182 R CB -0.558 29.783 30.300 0.068 0.000 0.850 182 R HN 0.445 nan 8.270 nan 0.000 0.433 183 L N 1.078 122.349 121.223 0.080 0.000 2.191 183 L HA -0.149 4.191 4.340 0.000 0.000 0.212 183 L C 1.941 178.884 176.870 0.121 0.000 1.103 183 L CA 0.838 55.790 54.840 0.187 0.000 0.769 183 L CB -0.581 41.569 42.059 0.151 0.000 0.908 183 L HN 0.326 nan 8.230 nan 0.000 0.438 184 N N 0.890 119.569 118.700 -0.035 0.000 2.205 184 N HA -0.196 4.544 4.740 0.000 0.000 0.186 184 N C 1.756 177.222 175.510 -0.073 0.000 1.015 184 N CA 1.604 54.605 53.050 -0.081 0.000 0.862 184 N CB -0.319 38.011 38.487 -0.262 0.000 0.986 184 N HN 0.534 nan 8.380 nan 0.000 0.429 185 I N -2.950 117.515 120.570 -0.176 0.000 3.444 185 I HA 0.055 4.225 4.170 0.000 0.000 0.287 185 I C 0.645 176.589 176.117 -0.288 0.000 1.302 185 I CA 0.951 62.089 61.300 -0.270 0.000 1.368 185 I CB -0.281 37.480 38.000 -0.398 0.000 1.048 185 I HN -0.213 nan 8.210 nan 0.000 0.487 186 F N 0.771 120.715 119.950 -0.010 0.000 2.695 186 F HA 0.206 4.733 4.527 0.000 0.000 0.303 186 F C 2.462 178.380 175.800 0.197 0.000 1.091 186 F CA 0.421 58.404 58.000 -0.029 0.000 1.300 186 F CB -0.165 38.731 39.000 -0.174 0.000 1.071 186 F HN 0.215 nan 8.300 nan 0.000 0.578 187 S N -0.466 115.411 115.700 0.294 0.000 2.489 187 S HA 0.079 4.549 4.470 0.000 0.000 0.228 187 S C 1.914 176.645 174.600 0.217 0.000 0.995 187 S CA 0.625 58.967 58.200 0.237 0.000 0.934 187 S CB -0.278 63.013 63.200 0.152 0.000 0.771 187 S HN 0.165 nan 8.310 nan 0.000 0.522 188 A N 0.270 123.214 122.820 0.207 0.000 2.238 188 A HA 0.473 4.793 4.320 0.000 0.000 0.210 188 A C 0.270 177.901 177.584 0.077 0.000 1.179 188 A CA -0.507 51.584 52.037 0.088 0.000 0.827 188 A CB -0.465 18.519 19.000 -0.027 0.000 0.856 188 A HN 0.470 nan 8.150 nan 0.000 0.488 189 F N 0.636 120.648 119.950 0.105 0.000 2.484 189 F HA 0.227 4.754 4.527 0.000 0.000 0.360 189 F C -0.749 175.146 175.800 0.158 0.000 1.101 189 F CA -1.621 56.468 58.000 0.148 0.000 1.251 189 F CB 0.733 39.790 39.000 0.094 0.000 1.132 189 F HN 0.079 nan 8.300 nan 0.000 0.570 190 P HA -0.146 nan 4.420 nan 0.000 0.226 190 P C 0.397 177.841 177.300 0.240 0.000 1.153 190 P CA 1.257 64.494 63.100 0.228 0.000 0.777 190 P CB 0.036 31.848 31.700 0.186 0.000 0.794 191 D N -2.292 118.275 120.400 0.279 0.000 2.340 191 D HA -0.008 4.632 4.640 0.000 0.000 0.217 191 D C 0.372 176.854 176.300 0.302 0.000 1.081 191 D CA -0.351 53.803 54.000 0.257 0.000 0.842 191 D CB -0.577 40.283 40.800 0.100 0.000 0.934 191 D HN 0.131 nan 8.370 nan 0.000 0.511 192 N N 0.758 119.626 118.700 0.280 0.000 2.503 192 N HA 0.298 5.038 4.740 0.000 0.000 0.267 192 N C 0.867 176.530 175.510 0.255 0.000 1.214 192 N CA 1.320 54.520 53.050 0.250 0.000 0.959 192 N CB 1.157 39.797 38.487 0.255 0.000 1.142 192 N HN 0.286 nan 8.380 nan 0.000 0.455 193 G N 1.956 110.905 108.800 0.248 0.000 2.484 193 G HA2 -0.197 3.763 3.960 0.000 0.000 0.225 193 G HA3 -0.197 3.763 3.960 0.000 0.000 0.225 193 G C -2.915 172.104 174.900 0.199 0.000 1.250 193 G CA -0.638 44.615 45.100 0.256 0.000 0.926 193 G HN 0.549 nan 8.290 nan 0.000 0.581 194 P HA 0.382 nan 4.420 nan 0.000 0.278 194 P C 0.122 177.171 177.300 -0.419 0.000 1.238 194 P CA -0.397 62.541 63.100 -0.270 0.000 0.794 194 P CB 0.865 32.177 31.700 -0.646 0.000 0.955 195 M N 3.749 122.935 119.600 -0.691 0.000 2.252 195 M HA 0.133 4.613 4.480 0.000 0.000 0.348 195 M C -2.046 173.788 176.300 -0.776 0.000 1.334 195 M CA -1.270 53.252 55.300 -1.297 0.000 1.071 195 M CB -0.168 31.664 32.600 -1.280 0.000 1.763 195 M HN 0.195 nan 8.290 nan 0.000 0.452 196 P HA -0.138 nan 4.420 nan 0.000 0.267 196 P C -1.091 176.029 177.300 -0.299 0.000 1.201 196 P CA 0.122 63.019 63.100 -0.337 0.000 0.775 196 P CB 0.226 31.808 31.700 -0.197 0.000 0.854 197 W N 4.625 125.704 121.300 -0.367 0.000 2.381 197 W HA 0.313 4.973 4.660 0.000 0.000 0.321 197 W C -1.019 175.421 176.519 -0.132 0.000 1.407 197 W CA -0.006 57.172 57.345 -0.279 0.000 1.274 197 W CB 0.374 29.673 29.460 -0.269 0.000 1.310 197 W HN 0.172 nan 8.180 nan 0.000 0.551 198 V N 2.882 122.325 119.914 -0.786 0.000 3.074 198 V HA 0.532 4.653 4.120 0.000 0.000 0.314 198 V C 0.366 175.829 176.094 -1.051 0.000 1.117 198 V CA -0.546 61.330 62.300 -0.707 0.000 1.014 198 V CB 1.624 33.269 31.823 -0.296 0.000 1.057 198 V HN 0.540 nan 8.190 nan 0.000 0.438 199 S N 0.965 116.333 115.700 -0.552 0.000 2.497 199 S HA 0.246 4.716 4.470 0.000 0.000 0.218 199 S C 0.448 174.998 174.600 -0.083 0.000 1.023 199 S CA 0.417 58.432 58.200 -0.308 0.000 0.913 199 S CB -0.486 62.714 63.200 0.000 0.000 0.800 199 S HN 1.185 nan 8.310 nan 0.000 0.505 200 N N -1.138 117.528 118.700 -0.056 0.000 3.039 200 N HA 0.178 4.918 4.740 0.000 0.000 0.257 200 N C -0.221 175.342 175.510 0.088 0.000 1.497 200 N CA -1.038 52.035 53.050 0.040 0.000 0.861 200 N CB -0.203 38.321 38.487 0.061 0.000 1.479 200 N HN 0.077 nan 8.380 nan 0.000 0.547 201 W N 0.040 121.309 121.300 -0.051 0.000 2.425 201 W HA -0.106 4.554 4.660 0.000 0.000 0.277 201 W C 1.435 177.998 176.519 0.074 0.000 1.231 201 W CA 1.856 59.193 57.345 -0.014 0.000 1.248 201 W CB 0.229 29.627 29.460 -0.104 0.000 1.117 201 W HN 0.847 nan 8.180 nan 0.000 0.568 202 Q N 0.742 120.566 119.800 0.040 0.000 2.050 202 Q HA -0.235 4.105 4.340 0.000 0.000 0.202 202 Q C 1.962 177.902 176.000 -0.098 0.000 0.980 202 Q CA 2.135 57.922 55.803 -0.026 0.000 0.840 202 Q CB -0.386 28.372 28.738 0.033 0.000 0.898 202 Q HN 0.282 nan 8.270 nan 0.000 0.424 203 E N -0.466 119.689 120.200 -0.076 0.000 2.150 203 E HA -0.158 4.192 4.350 0.000 0.000 0.193 203 E C 1.634 178.139 176.600 -0.158 0.000 0.985 203 E CA 0.822 57.161 56.400 -0.101 0.000 0.814 203 E CB -0.141 29.507 29.700 -0.086 0.000 0.752 203 E HN 0.404 nan 8.360 nan 0.000 0.466 204 F N 1.471 121.219 119.950 -0.337 0.000 2.134 204 F HA -0.168 4.359 4.527 0.000 0.000 0.299 204 F C 2.186 177.746 175.800 -0.401 0.000 1.097 204 F CA 1.411 59.169 58.000 -0.403 0.000 1.264 204 F CB -0.182 38.466 39.000 -0.586 0.000 1.001 204 F HN -0.057 nan 8.300 nan 0.000 0.479 205 A N 0.334 122.912 122.820 -0.404 0.000 1.972 205 A HA -0.055 4.265 4.320 0.000 0.000 0.219 205 A C 2.446 179.904 177.584 -0.211 0.000 1.169 205 A CA 1.636 53.495 52.037 -0.296 0.000 0.635 205 A CB -1.802 17.052 19.000 -0.242 0.000 0.810 205 A HN 0.528 nan 8.150 nan 0.000 0.446 206 G N -0.218 108.459 108.800 -0.205 0.000 2.402 206 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 206 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 206 G C 1.485 176.251 174.900 -0.222 0.000 1.162 206 G CA 1.105 46.104 45.100 -0.168 0.000 0.777 206 G HN 0.498 nan 8.290 nan 0.000 0.539 207 L N -0.280 120.777 121.223 -0.277 0.000 2.012 207 L HA 0.057 4.397 4.340 0.000 0.000 0.210 207 L C 2.452 179.142 176.870 -0.300 0.000 1.073 207 L CA 1.858 56.529 54.840 -0.282 0.000 0.748 207 L CB -0.617 41.246 42.059 -0.328 0.000 0.891 207 L HN 0.218 nan 8.230 nan 0.000 0.431 208 F N 0.099 119.721 119.950 -0.547 0.000 2.234 208 F HA -0.130 4.397 4.527 0.000 0.000 0.299 208 F C 2.659 178.243 175.800 -0.361 0.000 1.087 208 F CA 1.608 59.339 58.000 -0.447 0.000 1.340 208 F CB -0.341 38.358 39.000 -0.501 0.000 1.031 208 F HN 0.071 nan 8.300 nan 0.000 0.500 209 R N 0.432 120.686 120.500 -0.409 0.000 2.073 209 R HA -0.136 4.204 4.340 0.000 0.000 0.234 209 R C 2.415 178.138 176.300 -0.963 0.000 1.134 209 R CA 1.600 57.372 56.100 -0.545 0.000 0.952 209 R CB -0.148 29.968 30.300 -0.306 0.000 0.850 209 R HN 0.251 nan 8.270 nan 0.000 0.433 210 R N 0.291 120.338 120.500 -0.755 0.000 2.073 210 R HA -0.055 4.285 4.340 0.000 0.000 0.229 210 R C 2.468 178.455 176.300 -0.522 0.000 1.120 210 R CA 0.942 56.584 56.100 -0.763 0.000 0.967 210 R CB -0.547 29.588 30.300 -0.274 0.000 0.862 210 R HN 0.289 nan 8.270 nan 0.000 0.436 211 L N 1.491 122.478 121.223 -0.395 0.000 2.127 211 L HA -0.157 4.183 4.340 0.000 0.000 0.211 211 L C 2.575 179.245 176.870 -0.332 0.000 1.089 211 L CA 1.654 56.334 54.840 -0.267 0.000 0.757 211 L CB -0.510 41.435 42.059 -0.191 0.000 0.899 211 L HN 0.286 nan 8.230 nan 0.000 0.434 212 S N -1.811 113.546 115.700 -0.572 0.000 2.527 212 S HA -0.108 4.362 4.470 0.000 0.000 0.222 212 S C 1.793 176.257 174.600 -0.227 0.000 0.985 212 S CA 0.027 57.925 58.200 -0.504 0.000 0.921 212 S CB -0.413 62.291 63.200 -0.828 0.000 0.772 212 S HN 0.320 nan 8.310 nan 0.000 0.529 213 Y N 4.117 124.300 120.300 -0.194 0.000 2.384 213 Y HA -0.021 4.529 4.550 0.000 0.000 0.289 213 Y C 1.900 177.742 175.900 -0.097 0.000 1.152 213 Y CA 0.215 58.240 58.100 -0.124 0.000 1.258 213 Y CB -1.838 36.562 38.460 -0.101 0.000 0.979 213 Y HN 0.486 nan 8.280 nan 0.000 0.549 214 T N -3.052 111.528 114.554 0.044 0.000 2.766 214 T HA 0.102 4.452 4.350 0.000 0.000 0.295 214 T C 1.624 176.319 174.700 -0.008 0.000 1.024 214 T CA 0.118 62.225 62.100 0.012 0.000 1.018 214 T CB 1.285 70.150 68.868 -0.005 0.000 1.002 214 T HN 0.356 nan 8.240 nan 0.000 0.532 215 T N -0.779 113.769 114.554 -0.011 0.000 2.857 215 T HA -0.073 4.277 4.350 0.000 0.000 0.266 215 T C 1.940 176.631 174.700 -0.015 0.000 1.048 215 T CA 0.852 62.941 62.100 -0.018 0.000 1.139 215 T CB -0.565 68.287 68.868 -0.028 0.000 0.874 215 T HN 0.566 nan 8.240 nan 0.000 0.455 216 M N 0.282 119.877 119.600 -0.008 0.000 2.476 216 M HA 0.335 4.815 4.480 0.000 0.000 0.262 216 M C 0.116 176.433 176.300 0.030 0.000 1.079 216 M CA 0.859 56.174 55.300 0.024 0.000 1.104 216 M CB -0.071 32.563 32.600 0.057 0.000 1.409 216 M HN 0.239 nan 8.290 nan 0.000 0.467 217 I N 0.309 120.865 120.570 -0.024 0.000 2.439 217 I HA 0.130 4.300 4.170 0.000 0.000 0.283 217 I C -0.480 175.582 176.117 -0.092 0.000 1.023 217 I CA -0.335 60.925 61.300 -0.066 0.000 1.100 217 I CB 1.621 39.547 38.000 -0.123 0.000 1.238 217 I HN -0.057 nan 8.210 nan 0.000 0.445 218 D N 2.295 122.673 120.400 -0.038 0.000 2.454 218 D HA 0.088 4.728 4.640 0.000 0.000 0.219 218 D C 0.499 176.841 176.300 0.069 0.000 1.081 218 D CA 0.595 54.587 54.000 -0.014 0.000 0.867 218 D CB 0.717 41.523 40.800 0.011 0.000 1.054 218 D HN 0.519 nan 8.370 nan 0.000 0.500 219 S N -1.028 114.742 115.700 0.117 0.000 2.671 219 S HA 0.311 4.781 4.470 0.000 0.000 0.277 219 S C 0.616 175.346 174.600 0.217 0.000 1.165 219 S CA -0.683 57.651 58.200 0.223 0.000 0.822 219 S CB 0.938 64.179 63.200 0.068 0.000 1.150 219 S HN -0.208 nan 8.310 nan 0.000 0.479 220 I N 1.537 122.123 120.570 0.027 0.000 2.264 220 I HA -0.126 4.044 4.170 0.000 0.000 0.248 220 I C 2.205 178.221 176.117 -0.168 0.000 1.111 220 I CA 1.676 62.892 61.300 -0.140 0.000 1.382 220 I CB -1.133 36.722 38.000 -0.241 0.000 1.060 220 I HN 0.775 nan 8.210 nan 0.000 0.418 221 K N 0.227 120.551 120.400 -0.126 0.000 2.280 221 K HA -0.160 4.160 4.320 0.000 0.000 0.202 221 K C 1.186 177.639 176.600 -0.244 0.000 1.047 221 K CA 0.975 57.184 56.287 -0.131 0.000 0.942 221 K CB -0.076 32.394 32.500 -0.050 0.000 0.739 221 K HN 0.299 nan 8.250 nan 0.000 0.457 222 D N 0.477 120.731 120.400 -0.243 0.000 2.363 222 D HA -0.000 4.640 4.640 0.000 0.000 0.226 222 D C -0.103 175.810 176.300 -0.645 0.000 1.020 222 D CA 0.665 54.466 54.000 -0.332 0.000 0.892 222 D CB 0.179 40.905 40.800 -0.123 0.000 0.900 222 D HN 0.117 nan 8.370 nan 0.000 0.531 223 L N 0.947 121.730 121.223 -0.735 0.000 2.313 223 L HA 0.236 4.576 4.340 0.000 0.000 0.273 223 L C -0.177 176.141 176.870 -0.919 0.000 1.028 223 L CA -0.477 53.809 54.840 -0.923 0.000 0.871 223 L CB 0.734 42.038 42.059 -1.259 0.000 1.242 223 L HN -0.125 nan 8.230 nan 0.000 0.434 224 H N 1.866 120.686 119.070 -0.417 0.000 2.768 224 H HA 0.086 4.642 4.556 0.000 0.000 0.228 224 H C -0.444 174.797 175.328 -0.146 0.000 1.812 224 H CA -0.551 55.308 56.048 -0.315 0.000 1.273 224 H CB -0.163 29.361 29.762 -0.397 0.000 1.631 224 H HN 0.423 nan 8.280 nan 0.000 0.526 225 W N 0.740 122.027 121.300 -0.022 0.000 2.126 225 W HA -0.011 4.649 4.660 0.000 0.000 0.346 225 W C 1.100 177.613 176.519 -0.010 0.000 1.279 225 W CA -0.749 56.597 57.345 0.002 0.000 1.259 225 W CB 0.488 29.961 29.460 0.022 0.000 1.133 225 W HN 0.396 nan 8.180 nan 0.000 0.592 226 D N 0.928 121.500 120.400 0.288 0.000 2.149 226 D HA -0.055 4.585 4.640 0.000 0.000 0.198 226 D C 0.541 176.951 176.300 0.183 0.000 0.990 226 D CA 1.690 55.819 54.000 0.215 0.000 0.839 226 D CB 0.323 41.313 40.800 0.316 0.000 0.948 226 D HN 0.110 nan 8.370 nan 0.000 0.460 227 I N 0.063 120.764 120.570 0.219 0.000 2.571 227 I HA 0.316 4.486 4.170 0.000 0.000 0.289 227 I C -0.607 175.655 176.117 0.241 0.000 1.115 227 I CA -0.911 60.495 61.300 0.178 0.000 1.045 227 I CB 2.402 40.510 38.000 0.181 0.000 1.238 227 I HN -0.208 nan 8.210 nan 0.000 0.424 228 R N 5.359 125.988 120.500 0.215 0.000 2.725 228 R HA 0.747 5.087 4.340 0.000 0.000 0.277 228 R C -3.255 173.154 176.300 0.182 0.000 0.987 228 R CA -1.837 54.460 56.100 0.327 0.000 0.901 228 R CB 2.135 32.686 30.300 0.418 0.000 1.207 228 R HN 0.106 nan 8.270 nan 0.000 0.463 229 P HA 0.103 nan 4.420 nan 0.000 0.279 229 P C -0.902 176.467 177.300 0.114 0.000 1.239 229 P CA -0.548 62.634 63.100 0.137 0.000 0.789 229 P CB 1.618 33.372 31.700 0.089 0.000 0.933 230 S N 3.156 118.895 115.700 0.066 0.000 2.461 230 S HA 0.398 4.868 4.470 0.000 0.000 0.322 230 S C -1.697 172.710 174.600 -0.322 0.000 1.063 230 S CA -1.999 56.153 58.200 -0.081 0.000 1.120 230 S CB 0.162 63.356 63.200 -0.010 0.000 0.968 230 S HN 0.156 nan 8.310 nan 0.000 0.467 231 P HA -0.109 nan 4.420 nan 0.000 0.216 231 P C 1.322 178.354 177.300 -0.447 0.000 1.153 231 P CA 1.424 64.297 63.100 -0.379 0.000 0.858 231 P CB 0.139 31.845 31.700 0.011 0.000 0.789 232 A N -1.470 121.106 122.820 -0.407 0.000 1.898 232 A HA -0.138 4.182 4.320 0.000 0.000 0.216 232 A C 1.738 179.095 177.584 -0.378 0.000 1.181 232 A CA 1.415 53.205 52.037 -0.413 0.000 0.620 232 A CB -1.523 17.139 19.000 -0.563 0.000 0.819 232 A HN 0.080 nan 8.150 nan 0.000 0.442 233 F N -0.635 119.124 119.950 -0.319 0.000 2.743 233 F HA 0.332 4.859 4.527 0.000 0.000 0.297 233 F C 1.816 177.437 175.800 -0.298 0.000 1.131 233 F CA -0.113 57.681 58.000 -0.344 0.000 1.426 233 F CB -0.799 38.054 39.000 -0.245 0.000 1.116 233 F HN 0.350 nan 8.300 nan 0.000 0.583 234 G N 1.740 110.376 108.800 -0.273 0.000 2.289 234 G HA2 -0.167 3.793 3.960 0.000 0.000 0.280 234 G HA3 -0.167 3.793 3.960 0.000 0.000 0.280 234 G C 0.146 174.982 174.900 -0.107 0.000 1.089 234 G CA 0.426 45.252 45.100 -0.457 0.000 0.939 234 G HN 0.584 nan 8.290 nan 0.000 0.499 235 T N -3.987 110.552 114.554 -0.024 0.000 2.804 235 T HA 0.777 5.127 4.350 0.000 0.000 0.290 235 T C -0.609 174.238 174.700 0.245 0.000 1.099 235 T CA -0.450 61.778 62.100 0.213 0.000 1.011 235 T CB 2.864 71.936 68.868 0.340 0.000 1.291 235 T HN 0.997 nan 8.240 nan 0.000 0.523 236 V N 1.038 121.073 119.914 0.202 0.000 2.444 236 V HA 0.539 4.659 4.120 0.000 0.000 0.294 236 V C -0.220 175.907 176.094 0.054 0.000 1.022 236 V CA -0.712 61.671 62.300 0.137 0.000 0.850 236 V CB 1.275 33.176 31.823 0.131 0.000 0.992 236 V HN 1.004 nan 8.190 nan 0.000 0.426 237 E N 3.226 123.404 120.200 -0.036 0.000 2.134 237 E HA 0.525 4.875 4.350 0.000 0.000 0.278 237 E C -0.817 175.719 176.600 -0.108 0.000 0.959 237 E CA -0.483 55.776 56.400 -0.236 0.000 0.783 237 E CB 1.995 31.452 29.700 -0.404 0.000 1.095 237 E HN 0.662 nan 8.360 nan 0.000 0.399 238 V N 3.951 123.818 119.914 -0.079 0.000 2.427 238 V HA 0.484 4.604 4.120 0.000 0.000 0.286 238 V C 0.064 176.109 176.094 -0.082 0.000 1.034 238 V CA -0.295 62.004 62.300 -0.001 0.000 0.893 238 V CB 1.293 33.176 31.823 0.099 0.000 0.982 238 V HN 0.804 nan 8.190 nan 0.000 0.452 239 R N 3.435 123.876 120.500 -0.098 0.000 2.535 239 R HA 0.197 4.537 4.340 0.000 0.000 0.323 239 R C 1.184 177.478 176.300 -0.009 0.000 0.979 239 R CA 0.732 56.676 56.100 -0.260 0.000 1.120 239 R CB 0.961 30.934 30.300 -0.545 0.000 1.306 239 R HN 0.829 nan 8.270 nan 0.000 0.540 240 V N -1.947 118.022 119.914 0.090 0.000 3.129 240 V HA 0.145 4.265 4.120 0.000 0.000 0.259 240 V C 0.844 177.030 176.094 0.153 0.000 1.116 240 V CA 0.479 62.861 62.300 0.137 0.000 1.127 240 V CB -0.389 31.548 31.823 0.190 0.000 0.742 240 V HN 0.015 nan 8.190 nan 0.000 0.474 241 M N 2.154 121.848 119.600 0.156 0.000 2.217 241 M HA 0.347 4.827 4.480 0.000 0.000 0.354 241 M C -0.147 176.241 176.300 0.146 0.000 1.225 241 M CA 0.225 55.612 55.300 0.145 0.000 1.137 241 M CB 0.058 32.729 32.600 0.119 0.000 1.576 241 M HN 0.123 nan 8.290 nan 0.000 0.461 242 D N 1.834 122.309 120.400 0.125 0.000 2.414 242 D HA 0.052 4.692 4.640 0.000 0.000 0.242 242 D C -0.131 176.231 176.300 0.104 0.000 1.129 242 D CA 0.212 54.283 54.000 0.118 0.000 0.885 242 D CB 0.543 41.398 40.800 0.092 0.000 1.198 242 D HN 0.537 nan 8.370 nan 0.000 0.437 243 T N 4.126 118.744 114.554 0.107 0.000 2.831 243 T HA 0.140 4.490 4.350 0.000 0.000 0.291 243 T C -2.044 172.676 174.700 0.032 0.000 0.981 243 T CA -0.662 61.483 62.100 0.075 0.000 1.174 243 T CB 0.470 69.377 68.868 0.065 0.000 0.929 243 T HN 0.253 nan 8.240 nan 0.000 0.532 244 P HA 0.310 nan 4.420 nan 0.000 0.279 244 P C 0.723 178.005 177.300 -0.031 0.000 1.276 244 P CA -0.658 62.450 63.100 0.012 0.000 0.801 244 P CB 0.801 32.547 31.700 0.076 0.000 1.127 245 L N -1.773 119.372 121.223 -0.130 0.000 2.478 245 L HA 0.075 4.415 4.340 0.000 0.000 0.223 245 L C 1.089 178.011 176.870 0.087 0.000 1.140 245 L CA 1.257 56.002 54.840 -0.157 0.000 0.842 245 L CB -0.228 41.629 42.059 -0.337 0.000 0.953 245 L HN 0.447 nan 8.230 nan 0.000 0.452 246 T N -1.932 112.668 114.554 0.077 0.000 2.868 246 T HA 0.348 4.698 4.350 0.000 0.000 0.306 246 T C 0.657 175.395 174.700 0.063 0.000 1.224 246 T CA -0.657 61.478 62.100 0.058 0.000 1.012 246 T CB 1.784 70.599 68.868 -0.089 0.000 1.221 246 T HN -0.148 nan 8.240 nan 0.000 0.499 247 L N 1.009 122.174 121.223 -0.098 0.000 2.109 247 L HA 0.007 4.347 4.340 0.000 0.000 0.207 247 L C 1.846 178.727 176.870 0.019 0.000 1.086 247 L CA 1.187 55.988 54.840 -0.065 0.000 0.760 247 L CB -0.278 41.651 42.059 -0.216 0.000 0.910 247 L HN 0.649 nan 8.230 nan 0.000 0.437 248 D N -0.708 119.721 120.400 0.048 0.000 2.123 248 D HA -0.188 4.452 4.640 0.000 0.000 0.196 248 D C 2.104 178.471 176.300 0.111 0.000 0.992 248 D CA 1.278 55.324 54.000 0.076 0.000 0.833 248 D CB -0.239 40.621 40.800 0.100 0.000 0.954 248 D HN 0.415 nan 8.370 nan 0.000 0.455 249 H N -0.076 118.999 119.070 0.008 0.000 2.389 249 H HA 0.064 4.620 4.556 0.000 0.000 0.299 249 H C 2.027 177.367 175.328 0.020 0.000 1.081 249 H CA 0.927 56.986 56.048 0.019 0.000 1.345 249 H CB 0.214 29.995 29.762 0.031 0.000 1.393 249 H HN 0.100 nan 8.280 nan 0.000 0.520 250 A N 1.630 124.543 122.820 0.155 0.000 1.877 250 A HA -0.134 4.186 4.320 0.000 0.000 0.216 250 A C 2.364 179.979 177.584 0.051 0.000 1.186 250 A CA 1.034 53.129 52.037 0.097 0.000 0.620 250 A CB -0.481 18.581 19.000 0.103 0.000 0.822 250 A HN 0.206 nan 8.150 nan 0.000 0.443 251 I N 0.642 121.235 120.570 0.038 0.000 2.361 251 I HA -0.197 3.973 4.170 0.000 0.000 0.251 251 I C 1.698 177.811 176.117 -0.007 0.000 1.133 251 I CA 1.383 62.689 61.300 0.010 0.000 1.413 251 I CB -1.335 36.664 38.000 -0.001 0.000 1.073 251 I HN 0.316 nan 8.210 nan 0.000 0.424 252 N N 0.115 118.808 118.700 -0.013 0.000 2.244 252 N HA -0.105 4.635 4.740 0.000 0.000 0.183 252 N C 1.727 177.215 175.510 -0.037 0.000 1.016 252 N CA 1.019 54.046 53.050 -0.039 0.000 0.866 252 N CB -0.137 38.304 38.487 -0.078 0.000 0.980 252 N HN 0.189 nan 8.380 nan 0.000 0.430 253 M N 0.154 119.739 119.600 -0.026 0.000 2.288 253 M HA 0.142 4.622 4.480 0.000 0.000 0.266 253 M C 1.999 178.241 176.300 -0.095 0.000 1.072 253 M CA 0.487 55.751 55.300 -0.059 0.000 1.132 253 M CB -1.052 31.528 32.600 -0.033 0.000 1.386 253 M HN 0.078 nan 8.290 nan 0.000 0.432 254 A N 0.212 123.004 122.820 -0.047 0.000 1.933 254 A HA 0.008 4.328 4.320 0.000 0.000 0.218 254 A C 2.383 179.948 177.584 -0.032 0.000 1.175 254 A CA 1.901 53.918 52.037 -0.034 0.000 0.628 254 A CB -1.306 17.695 19.000 0.002 0.000 0.814 254 A HN 0.500 nan 8.150 nan 0.000 0.444 255 G N -0.386 108.395 108.800 -0.032 0.000 2.403 255 G HA2 -0.043 3.917 3.960 0.000 0.000 0.216 255 G HA3 -0.043 3.917 3.960 0.000 0.000 0.216 255 G C 1.446 176.327 174.900 -0.032 0.000 1.154 255 G CA 1.071 46.155 45.100 -0.028 0.000 0.784 255 G HN 0.502 nan 8.290 nan 0.000 0.538 256 L N 0.575 121.768 121.223 -0.050 0.000 2.093 256 L HA 0.175 4.515 4.340 0.000 0.000 0.208 256 L C 2.507 179.358 176.870 -0.032 0.000 1.085 256 L CA 1.333 56.150 54.840 -0.039 0.000 0.755 256 L CB -0.380 41.660 42.059 -0.032 0.000 0.904 256 L HN 0.235 nan 8.230 nan 0.000 0.435 257 I N -0.915 119.585 120.570 -0.117 0.000 2.286 257 I HA -0.241 3.929 4.170 0.000 0.000 0.245 257 I C 2.590 178.744 176.117 0.061 0.000 1.104 257 I CA 1.180 62.418 61.300 -0.103 0.000 1.397 257 I CB -0.287 37.557 38.000 -0.260 0.000 1.072 257 I HN 0.446 nan 8.210 nan 0.000 0.417 258 Q N 1.092 120.923 119.800 0.051 0.000 2.061 258 Q HA -0.260 4.080 4.340 0.000 0.000 0.204 258 Q C 2.331 178.401 176.000 0.117 0.000 0.984 258 Q CA 2.183 58.050 55.803 0.107 0.000 0.846 258 Q CB -0.116 28.664 28.738 0.070 0.000 0.902 258 Q HN 0.555 nan 8.270 nan 0.000 0.421 259 A N -0.214 122.644 122.820 0.062 0.000 1.930 259 A HA -0.144 4.176 4.320 0.000 0.000 0.217 259 A C 2.178 179.858 177.584 0.160 0.000 1.175 259 A CA 1.841 53.911 52.037 0.055 0.000 0.627 259 A CB -0.788 18.205 19.000 -0.010 0.000 0.815 259 A HN 0.478 nan 8.150 nan 0.000 0.443 260 T N 0.182 114.843 114.554 0.180 0.000 2.821 260 T HA 0.038 4.388 4.350 0.000 0.000 0.267 260 T C 2.212 177.151 174.700 0.398 0.000 1.046 260 T CA 1.359 63.639 62.100 0.299 0.000 1.139 260 T CB -0.369 68.680 68.868 0.301 0.000 0.871 260 T HN 0.576 nan 8.240 nan 0.000 0.454 261 A N 1.240 124.258 122.820 0.331 0.000 1.933 261 A HA -0.184 4.136 4.320 0.000 0.000 0.218 261 A C 2.150 179.946 177.584 0.353 0.000 1.175 261 A CA 1.618 53.865 52.037 0.352 0.000 0.628 261 A CB -0.828 18.378 19.000 0.345 0.000 0.814 261 A HN 0.652 nan 8.150 nan 0.000 0.444 262 H N -2.435 116.714 119.070 0.131 0.000 2.333 262 H HA -0.189 4.367 4.556 0.000 0.000 0.302 262 H C 2.022 177.387 175.328 0.060 0.000 1.075 262 H CA 2.093 58.050 56.048 -0.153 0.000 1.348 262 H CB -0.450 29.049 29.762 -0.438 0.000 1.393 262 H HN 0.643 nan 8.280 nan 0.000 0.509 263 W N 1.943 123.270 121.300 0.046 0.000 2.315 263 W HA -0.253 4.407 4.660 0.000 0.000 0.323 263 W C 2.403 178.933 176.519 0.018 0.000 1.233 263 W CA 2.132 59.487 57.345 0.016 0.000 1.267 263 W CB -0.920 28.564 29.460 0.041 0.000 1.160 263 W HN 0.187 nan 8.180 nan 0.000 0.474 264 L N 0.036 121.268 121.223 0.014 0.000 1.971 264 L HA -0.301 4.039 4.340 0.000 0.000 0.215 264 L C 2.700 179.585 176.870 0.026 0.000 1.072 264 L CA 1.895 56.689 54.840 -0.077 0.000 0.758 264 L CB -1.279 40.913 42.059 0.222 0.000 0.889 264 L HN 0.056 nan 8.230 nan 0.000 0.433 265 L N -1.357 119.922 121.223 0.094 0.000 2.141 265 L HA -0.161 4.179 4.340 0.000 0.000 0.209 265 L C 2.503 179.309 176.870 -0.107 0.000 1.094 265 L CA 1.106 55.959 54.840 0.022 0.000 0.763 265 L CB -0.511 41.638 42.059 0.149 0.000 0.908 265 L HN 0.295 nan 8.230 nan 0.000 0.437 266 T N -1.258 113.188 114.554 -0.180 0.000 2.814 266 T HA -0.058 4.292 4.350 0.000 0.000 0.254 266 T C 1.612 176.206 174.700 -0.176 0.000 1.037 266 T CA 0.861 62.827 62.100 -0.223 0.000 1.143 266 T CB 0.101 68.699 68.868 -0.450 0.000 0.866 266 T HN 0.212 nan 8.240 nan 0.000 0.431 267 E N 0.792 120.865 120.200 -0.212 0.000 2.447 267 E HA 0.153 4.503 4.350 0.000 0.000 0.195 267 E C 0.237 176.682 176.600 -0.259 0.000 1.028 267 E CA -0.037 56.239 56.400 -0.206 0.000 0.876 267 E CB -0.003 29.575 29.700 -0.203 0.000 0.885 267 E HN 0.396 nan 8.360 nan 0.000 0.500 268 R N 1.070 121.409 120.500 -0.267 0.000 3.109 268 R HA -0.145 4.196 4.340 0.000 0.000 0.241 268 R C -1.650 174.533 176.300 -0.195 0.000 0.882 268 R CA 0.339 56.343 56.100 -0.160 0.000 0.604 268 R CB -1.198 29.003 30.300 -0.164 0.000 1.040 268 R HN 0.249 nan 8.270 nan 0.000 0.480 269 P HA -0.043 nan 4.420 nan 0.000 0.245 269 P C -0.206 176.751 177.300 -0.570 0.000 1.212 269 P CA 0.944 63.670 63.100 -0.623 0.000 0.774 269 P CB 0.331 31.363 31.700 -1.114 0.000 0.999 270 F N 0.489 120.410 119.950 -0.048 0.000 2.563 270 F HA 0.451 4.978 4.527 0.000 0.000 0.316 270 F C 0.666 176.490 175.800 0.040 0.000 1.076 270 F CA -1.737 56.236 58.000 -0.047 0.000 0.921 270 F CB 2.013 40.935 39.000 -0.130 0.000 1.209 270 F HN -0.372 nan 8.300 nan 0.000 0.462 271 K N 4.218 124.753 120.400 0.226 0.000 2.478 271 K HA 0.466 4.786 4.320 0.000 0.000 0.236 271 K C -2.899 173.770 176.600 0.115 0.000 1.021 271 K CA -1.591 54.802 56.287 0.177 0.000 1.010 271 K CB 0.807 33.374 32.500 0.113 0.000 1.331 271 K HN 0.236 nan 8.250 nan 0.000 0.470 272 P HA 0.074 nan 4.420 nan 0.000 0.271 272 P C -1.087 176.300 177.300 0.144 0.000 1.216 272 P CA -0.108 63.035 63.100 0.071 0.000 0.771 272 P CB 1.184 32.919 31.700 0.059 0.000 0.864 273 Q N 0.077 119.838 119.800 -0.066 0.000 2.456 273 Q HA 0.148 4.488 4.340 0.000 0.000 0.283 273 Q C 0.930 176.378 176.000 -0.920 0.000 1.084 273 Q CA -0.589 55.005 55.803 -0.347 0.000 0.801 273 Q CB 2.099 30.750 28.738 -0.145 0.000 1.434 273 Q HN 0.508 nan 8.270 nan 0.000 0.419 274 E N 0.452 119.804 120.200 -1.414 0.000 2.204 274 E HA -0.203 4.147 4.350 0.000 0.000 0.194 274 E C 0.971 177.252 176.600 -0.532 0.000 0.989 274 E CA 1.333 56.870 56.400 -1.438 0.000 0.824 274 E CB 0.367 29.170 29.700 -1.495 0.000 0.756 274 E HN 0.428 nan 8.360 nan 0.000 0.477 275 Q N 0.522 120.111 119.800 -0.353 0.000 2.435 275 Q HA -0.071 4.269 4.340 0.000 0.000 0.207 275 Q C 1.021 176.858 176.000 -0.270 0.000 0.956 275 Q CA 0.816 56.471 55.803 -0.246 0.000 0.917 275 Q CB 0.139 28.762 28.738 -0.190 0.000 0.997 275 Q HN 0.423 nan 8.270 nan 0.000 0.497 276 D N -0.361 119.947 120.400 -0.153 0.000 2.123 276 D HA -0.172 4.468 4.640 0.000 0.000 0.196 276 D C 1.230 177.461 176.300 -0.115 0.000 0.992 276 D CA 1.120 55.038 54.000 -0.136 0.000 0.833 276 D CB -0.329 40.374 40.800 -0.162 0.000 0.954 276 D HN 0.336 nan 8.370 nan 0.000 0.455 277 Y N 0.448 120.681 120.300 -0.113 0.000 2.680 277 Y HA -0.036 4.515 4.550 0.000 0.000 0.303 277 Y C 1.980 177.898 175.900 0.030 0.000 1.166 277 Y CA -0.137 57.959 58.100 -0.006 0.000 1.344 277 Y CB -0.197 38.224 38.460 -0.065 0.000 1.002 277 Y HN -0.054 nan 8.280 nan 0.000 0.537 278 L N -0.583 120.678 121.223 0.064 0.000 2.079 278 L HA -0.209 4.131 4.340 0.000 0.000 0.210 278 L C 1.331 178.296 176.870 0.158 0.000 1.081 278 L CA 1.896 56.764 54.840 0.047 0.000 0.752 278 L CB -0.276 41.730 42.059 -0.089 0.000 0.896 278 L HN 0.134 nan 8.230 nan 0.000 0.433 279 L N -1.986 119.331 121.223 0.157 0.000 2.728 279 L HA 0.087 4.427 4.340 0.000 0.000 0.238 279 L C 1.531 178.585 176.870 0.307 0.000 1.143 279 L CA 0.278 55.284 54.840 0.276 0.000 0.937 279 L CB -1.248 40.871 42.059 0.100 0.000 1.225 279 L HN 0.251 nan 8.230 nan 0.000 0.507 280 Y N 1.274 121.656 120.300 0.137 0.000 2.062 280 Y HA -0.424 4.126 4.550 0.000 0.000 0.273 280 Y C 2.405 178.374 175.900 0.115 0.000 1.206 280 Y CA 2.290 60.452 58.100 0.104 0.000 1.125 280 Y CB 0.177 38.730 38.460 0.156 0.000 0.951 280 Y HN 0.108 nan 8.280 nan 0.000 0.501 281 K N -1.046 119.499 120.400 0.243 0.000 2.155 281 K HA -0.079 4.241 4.320 0.000 0.000 0.203 281 K C 1.704 178.260 176.600 -0.073 0.000 1.052 281 K CA 1.368 57.683 56.287 0.046 0.000 0.948 281 K CB -0.329 32.135 32.500 -0.061 0.000 0.728 281 K HN 0.275 nan 8.250 nan 0.000 0.448 282 F N 1.442 121.438 119.950 0.076 0.000 2.146 282 F HA -0.147 4.380 4.527 0.000 0.000 0.298 282 F C 1.943 177.793 175.800 0.084 0.000 1.096 282 F CA 0.920 58.958 58.000 0.064 0.000 1.275 282 F CB -0.335 38.680 39.000 0.025 0.000 1.008 282 F HN 0.048 nan 8.300 nan 0.000 0.480 283 N N 0.159 118.972 118.700 0.189 0.000 2.188 283 N HA -0.151 4.589 4.740 0.000 0.000 0.184 283 N C 1.981 177.491 175.510 0.001 0.000 1.018 283 N CA 0.855 53.944 53.050 0.064 0.000 0.858 283 N CB -0.501 37.970 38.487 -0.026 0.000 0.989 283 N HN 0.270 nan 8.380 nan 0.000 0.426 284 R N -0.078 120.381 120.500 -0.068 0.000 2.115 284 R HA -0.055 4.285 4.340 0.000 0.000 0.230 284 R C 1.990 178.316 176.300 0.044 0.000 1.111 284 R CA 0.676 56.722 56.100 -0.091 0.000 0.976 284 R CB -0.319 29.860 30.300 -0.202 0.000 0.870 284 R HN 0.174 nan 8.270 nan 0.000 0.445 285 F N 1.528 121.466 119.950 -0.020 0.000 2.163 285 F HA -0.135 4.392 4.527 0.000 0.000 0.297 285 F C 2.377 178.167 175.800 -0.017 0.000 1.094 285 F CA 1.454 59.465 58.000 0.018 0.000 1.290 285 F CB -0.128 38.879 39.000 0.011 0.000 1.017 285 F HN 0.027 nan 8.300 nan 0.000 0.483 286 Q N 0.652 120.588 119.800 0.225 0.000 2.112 286 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 286 Q C 2.198 178.197 176.000 -0.002 0.000 0.987 286 Q CA 2.219 58.116 55.803 0.157 0.000 0.858 286 Q CB -0.649 28.209 28.738 0.199 0.000 0.905 286 Q HN 0.501 nan 8.270 nan 0.000 0.420 287 A N -1.509 121.290 122.820 -0.034 0.000 2.014 287 A HA -0.113 4.207 4.320 0.000 0.000 0.218 287 A C 2.231 179.761 177.584 -0.091 0.000 1.163 287 A CA 1.141 53.147 52.037 -0.052 0.000 0.652 287 A CB -0.613 18.363 19.000 -0.041 0.000 0.808 287 A HN 0.536 nan 8.150 nan 0.000 0.449 288 C N -1.409 117.799 119.300 -0.154 0.000 2.500 288 C HA 0.069 4.529 4.460 0.000 0.000 0.279 288 C C 2.720 177.531 174.990 -0.297 0.000 1.288 288 C CA 1.121 60.067 59.018 -0.120 0.000 1.710 288 C CB -0.839 26.880 27.740 -0.035 0.000 2.052 288 C HN 0.731 nan 8.230 nan 0.000 0.488 289 R N 0.634 120.627 120.500 -0.846 0.000 2.070 289 R HA -0.027 4.313 4.340 0.000 0.000 0.227 289 R C 0.791 176.531 176.300 -0.934 0.000 1.147 289 R CA 1.771 56.989 56.100 -1.471 0.000 0.924 289 R CB -1.094 28.125 30.300 -1.801 0.000 0.827 289 R HN 0.524 nan 8.270 nan 0.000 0.431 290 Y N -1.741 118.365 120.300 -0.323 0.000 2.561 290 Y HA 0.482 5.032 4.550 0.000 0.000 0.422 290 Y C 1.646 177.458 175.900 -0.147 0.000 1.402 290 Y CA -0.083 57.905 58.100 -0.187 0.000 1.876 290 Y CB -0.481 37.902 38.460 -0.127 0.000 1.768 290 Y HN 0.255 nan 8.280 nan 0.000 0.631 291 G N -0.956 107.888 108.800 0.072 0.000 2.890 291 G HA2 0.176 4.136 3.960 0.000 0.000 0.199 291 G HA3 0.176 4.136 3.960 0.000 0.000 0.199 291 G C 0.492 175.389 174.900 -0.005 0.000 1.729 291 G CA -0.462 44.640 45.100 0.003 0.000 0.767 291 G HN 0.414 nan 8.290 nan 0.000 0.804 292 L N 1.440 122.652 121.223 -0.019 0.000 2.551 292 L HA 0.116 4.456 4.340 0.000 0.000 0.228 292 L C 2.384 179.233 176.870 -0.035 0.000 1.153 292 L CA 0.507 55.325 54.840 -0.037 0.000 0.851 292 L CB 0.012 42.051 42.059 -0.034 0.000 0.959 292 L HN 0.270 nan 8.230 nan 0.000 0.451 293 E N 0.531 120.722 120.200 -0.014 0.000 2.216 293 E HA 0.016 4.366 4.350 0.000 0.000 0.192 293 E C 1.323 177.893 176.600 -0.051 0.000 0.988 293 E CA 0.400 56.776 56.400 -0.042 0.000 0.834 293 E CB -0.261 29.412 29.700 -0.046 0.000 0.772 293 E HN 0.362 nan 8.360 nan 0.000 0.479 294 G N 1.552 110.380 108.800 0.046 0.000 2.464 294 G HA2 0.111 4.071 3.960 0.000 0.000 0.231 294 G HA3 0.111 4.071 3.960 0.000 0.000 0.231 294 G C 0.013 174.918 174.900 0.008 0.000 1.267 294 G CA -0.243 44.917 45.100 0.101 0.000 0.863 294 G HN -0.016 nan 8.290 nan 0.000 0.559 295 V N 3.818 123.750 119.914 0.030 0.000 2.370 295 V HA 0.234 4.354 4.120 0.000 0.000 0.279 295 V C 0.606 176.710 176.094 0.017 0.000 1.029 295 V CA -0.625 61.675 62.300 0.000 0.000 0.870 295 V CB 1.346 33.163 31.823 -0.010 0.000 0.984 295 V HN 0.541 nan 8.190 nan 0.000 0.451 296 L N 4.736 125.954 121.223 -0.009 0.000 2.326 296 L HA 0.454 4.794 4.340 0.000 0.000 0.278 296 L C 0.175 177.056 176.870 0.018 0.000 1.092 296 L CA 0.105 54.944 54.840 -0.001 0.000 0.810 296 L CB 1.711 43.759 42.059 -0.018 0.000 1.153 296 L HN 0.674 nan 8.230 nan 0.000 0.439 297 T N 1.476 116.045 114.554 0.024 0.000 2.786 297 T HA 0.168 4.518 4.350 0.000 0.000 0.283 297 T C -0.296 174.416 174.700 0.020 0.000 0.992 297 T CA -0.671 61.436 62.100 0.012 0.000 0.954 297 T CB 1.672 70.530 68.868 -0.018 0.000 0.934 297 T HN 0.451 nan 8.240 nan 0.000 0.440 298 D N 2.164 122.583 120.400 0.031 0.000 2.390 298 D HA 0.206 4.846 4.640 0.000 0.000 0.249 298 D C 1.223 177.511 176.300 -0.020 0.000 1.144 298 D CA -0.246 53.779 54.000 0.043 0.000 0.880 298 D CB 1.416 42.264 40.800 0.079 0.000 1.182 298 D HN 0.573 nan 8.370 nan 0.000 0.451 299 A N 4.185 126.952 122.820 -0.088 0.000 1.883 299 A HA -0.228 4.092 4.320 0.000 0.000 0.217 299 A C 1.636 179.037 177.584 -0.305 0.000 1.186 299 A CA 1.347 53.221 52.037 -0.271 0.000 0.624 299 A CB -0.669 18.029 19.000 -0.504 0.000 0.822 299 A HN 0.760 nan 8.150 nan 0.000 0.444 300 Y N 0.154 120.427 120.300 -0.044 0.000 2.269 300 Y HA -0.067 4.483 4.550 0.000 0.000 0.294 300 Y C 3.089 178.970 175.900 -0.031 0.000 1.120 300 Y CA 1.688 59.763 58.100 -0.041 0.000 1.159 300 Y CB -0.475 37.959 38.460 -0.044 0.000 1.024 300 Y HN 0.478 nan 8.280 nan 0.000 0.532 301 T N -5.061 109.570 114.554 0.130 0.000 3.042 301 T HA 0.407 4.757 4.350 0.000 0.000 0.245 301 T C 1.860 176.577 174.700 0.029 0.000 1.029 301 T CA 0.702 62.845 62.100 0.070 0.000 1.120 301 T CB 0.094 69.002 68.868 0.067 0.000 0.917 301 T HN 0.428 nan 8.240 nan 0.000 0.467 302 G N 1.441 110.251 108.800 0.017 0.000 2.195 302 G HA2 -0.164 3.796 3.960 0.000 0.000 0.224 302 G HA3 -0.164 3.796 3.960 0.000 0.000 0.224 302 G C -0.393 174.509 174.900 0.003 0.000 0.990 302 G CA -0.073 45.022 45.100 -0.007 0.000 0.639 302 G HN 0.592 nan 8.290 nan 0.000 0.514 303 D N 0.923 121.336 120.400 0.022 0.000 2.488 303 D HA 0.389 5.030 4.640 0.000 0.000 0.238 303 D C 1.057 177.373 176.300 0.027 0.000 1.138 303 D CA 0.540 54.556 54.000 0.027 0.000 0.873 303 D CB 0.497 41.322 40.800 0.042 0.000 1.183 303 D HN 0.790 nan 8.370 nan 0.000 0.458 304 R N 1.555 122.066 120.500 0.019 0.000 2.480 304 R HA 0.579 4.919 4.340 0.000 0.000 0.306 304 R C -0.704 175.607 176.300 0.018 0.000 0.958 304 R CA -0.879 55.230 56.100 0.016 0.000 0.861 304 R CB 1.770 32.070 30.300 0.001 0.000 1.171 304 R HN 0.250 nan 8.270 nan 0.000 0.445 305 R N 2.835 123.349 120.500 0.023 0.000 2.562 305 R HA 0.339 4.679 4.340 0.000 0.000 0.298 305 R C -0.415 175.881 176.300 -0.007 0.000 0.961 305 R CA -1.143 54.969 56.100 0.020 0.000 0.881 305 R CB 2.343 32.674 30.300 0.051 0.000 1.159 305 R HN 0.553 nan 8.270 nan 0.000 0.450 306 R N 1.786 122.276 120.500 -0.017 0.000 2.570 306 R HA -0.049 4.291 4.340 0.000 0.000 0.277 306 R C 1.286 177.550 176.300 -0.059 0.000 1.039 306 R CA -0.279 55.798 56.100 -0.039 0.000 1.065 306 R CB 0.507 30.785 30.300 -0.035 0.000 0.964 306 R HN 0.422 nan 8.270 nan 0.000 0.428 307 L N 4.282 125.449 121.223 -0.093 0.000 2.042 307 L HA -0.185 4.155 4.340 0.000 0.000 0.210 307 L C 2.011 178.796 176.870 -0.141 0.000 1.076 307 L CA 2.354 57.088 54.840 -0.177 0.000 0.749 307 L CB -1.363 40.592 42.059 -0.173 0.000 0.893 307 L HN 0.898 nan 8.230 nan 0.000 0.432 308 A N -0.853 121.922 122.820 -0.075 0.000 1.898 308 A HA -0.195 4.125 4.320 0.000 0.000 0.216 308 A C 1.939 179.512 177.584 -0.018 0.000 1.181 308 A CA 1.683 53.695 52.037 -0.041 0.000 0.620 308 A CB -0.562 18.421 19.000 -0.028 0.000 0.819 308 A HN 0.464 nan 8.150 nan 0.000 0.442 309 D N -0.225 120.167 120.400 -0.013 0.000 2.144 309 D HA -0.143 4.497 4.640 0.000 0.000 0.199 309 D C 1.397 177.717 176.300 0.033 0.000 0.984 309 D CA 1.689 55.694 54.000 0.008 0.000 0.834 309 D CB -0.438 40.369 40.800 0.011 0.000 0.955 309 D HN 0.502 nan 8.370 nan 0.000 0.465 310 D N -0.647 119.776 120.400 0.038 0.000 2.277 310 D HA -0.093 4.547 4.640 0.000 0.000 0.208 310 D C 2.010 178.434 176.300 0.206 0.000 0.962 310 D CA 1.263 55.341 54.000 0.129 0.000 0.865 310 D CB 0.090 40.973 40.800 0.139 0.000 0.939 310 D HN 0.166 nan 8.370 nan 0.000 0.510 311 T N -1.580 113.051 114.554 0.129 0.000 2.985 311 T HA -0.012 4.338 4.350 0.000 0.000 0.266 311 T C 2.097 176.830 174.700 0.054 0.000 1.076 311 T CA 0.395 62.600 62.100 0.174 0.000 1.135 311 T CB -0.290 68.662 68.868 0.139 0.000 0.890 311 T HN 0.122 nan 8.240 nan 0.000 0.480 312 L N 0.346 121.586 121.223 0.028 0.000 2.046 312 L HA 0.012 4.352 4.340 0.000 0.000 0.208 312 L C 3.261 180.118 176.870 -0.023 0.000 1.077 312 L CA 1.446 56.284 54.840 -0.004 0.000 0.747 312 L CB -0.616 41.443 42.059 -0.000 0.000 0.896 312 L HN 0.252 nan 8.230 nan 0.000 0.432 313 R N 0.584 121.088 120.500 0.008 0.000 2.091 313 R HA -0.222 4.118 4.340 0.000 0.000 0.238 313 R C 2.330 178.569 176.300 -0.101 0.000 1.136 313 R CA 1.762 57.859 56.100 -0.005 0.000 0.959 313 R CB -0.366 29.980 30.300 0.076 0.000 0.856 313 R HN 0.260 nan 8.270 nan 0.000 0.437 314 L N 1.028 122.184 121.223 -0.112 0.000 2.056 314 L HA -0.093 4.247 4.340 0.000 0.000 0.207 314 L C 2.115 178.768 176.870 -0.362 0.000 1.078 314 L CA 1.504 56.136 54.840 -0.345 0.000 0.749 314 L CB -0.316 41.501 42.059 -0.403 0.000 0.901 314 L HN 0.157 nan 8.230 nan 0.000 0.433 315 L N -0.460 120.643 121.223 -0.200 0.000 2.131 315 L HA -0.167 4.173 4.340 0.000 0.000 0.210 315 L C 2.184 178.942 176.870 -0.187 0.000 1.092 315 L CA 1.032 55.773 54.840 -0.166 0.000 0.759 315 L CB -0.876 41.130 42.059 -0.089 0.000 0.903 315 L HN 0.273 nan 8.230 nan 0.000 0.435 316 D N -0.068 120.226 120.400 -0.176 0.000 2.097 316 D HA -0.156 4.484 4.640 0.000 0.000 0.197 316 D C 2.017 178.167 176.300 -0.250 0.000 0.984 316 D CA 0.973 54.876 54.000 -0.161 0.000 0.826 316 D CB -0.278 40.456 40.800 -0.111 0.000 0.973 316 D HN 0.177 nan 8.370 nan 0.000 0.460 317 N N 0.301 118.761 118.700 -0.400 0.000 2.289 317 N HA -0.113 4.627 4.740 0.000 0.000 0.184 317 N C 1.703 176.709 175.510 -0.840 0.000 1.016 317 N CA 0.877 53.518 53.050 -0.682 0.000 0.872 317 N CB 0.276 38.080 38.487 -1.138 0.000 0.973 317 N HN 0.225 nan 8.380 nan 0.000 0.433 318 V N -3.402 116.140 119.914 -0.620 0.000 3.621 318 V HA 0.221 4.341 4.120 0.000 0.000 0.285 318 V C 1.746 177.731 176.094 -0.182 0.000 1.346 318 V CA 0.208 62.279 62.300 -0.383 0.000 1.104 318 V CB -0.049 31.609 31.823 -0.276 0.000 0.913 318 V HN -0.069 nan 8.190 nan 0.000 0.432 319 T N 2.155 116.605 114.554 -0.175 0.000 2.684 319 T HA -0.050 4.300 4.350 0.000 0.000 0.267 319 T C -0.067 174.587 174.700 -0.077 0.000 1.036 319 T CA 2.653 64.688 62.100 -0.109 0.000 1.148 319 T CB -1.067 67.743 68.868 -0.097 0.000 0.863 319 T HN 0.519 nan 8.240 nan 0.000 0.436 320 P HA -0.035 nan 4.420 nan 0.000 0.215 320 P C 1.752 179.035 177.300 -0.029 0.000 1.157 320 P CA 1.126 64.214 63.100 -0.020 0.000 0.874 320 P CB -0.138 31.576 31.700 0.023 0.000 0.790 321 S N -0.521 115.181 115.700 0.003 0.000 2.382 321 S HA -0.137 4.333 4.470 0.000 0.000 0.228 321 S C 2.056 176.523 174.600 -0.220 0.000 1.027 321 S CA 1.368 59.520 58.200 -0.081 0.000 0.991 321 S CB -1.067 62.260 63.200 0.212 0.000 0.823 321 S HN 0.155 nan 8.310 nan 0.000 0.469 322 A N 1.749 124.496 122.820 -0.123 0.000 1.969 322 A HA -0.072 4.248 4.320 0.000 0.000 0.218 322 A C 2.144 179.659 177.584 -0.114 0.000 1.169 322 A CA 0.984 52.952 52.037 -0.115 0.000 0.635 322 A CB -0.345 18.604 19.000 -0.084 0.000 0.810 322 A HN 0.369 nan 8.150 nan 0.000 0.445 323 R N -0.504 119.935 120.500 -0.103 0.000 2.075 323 R HA -0.045 4.295 4.340 0.000 0.000 0.232 323 R C 2.083 178.324 176.300 -0.099 0.000 1.126 323 R CA 1.186 57.236 56.100 -0.083 0.000 0.963 323 R CB -0.290 29.973 30.300 -0.062 0.000 0.858 323 R HN 0.358 nan 8.270 nan 0.000 0.435 324 K N 0.909 121.224 120.400 -0.141 0.000 2.209 324 K HA -0.081 4.239 4.320 0.000 0.000 0.204 324 K C 1.845 178.345 176.600 -0.168 0.000 1.048 324 K CA 1.024 57.216 56.287 -0.159 0.000 0.940 324 K CB 0.099 32.462 32.500 -0.228 0.000 0.729 324 K HN 0.187 nan 8.250 nan 0.000 0.451 325 L N -1.233 119.873 121.223 -0.195 0.000 2.590 325 L HA 0.153 4.493 4.340 0.000 0.000 0.227 325 L C 0.901 177.722 176.870 -0.082 0.000 1.099 325 L CA 0.373 55.124 54.840 -0.148 0.000 0.872 325 L CB 0.491 42.440 42.059 -0.182 0.000 1.088 325 L HN 0.271 nan 8.230 nan 0.000 0.479 326 G N 0.762 109.516 108.800 -0.077 0.000 2.203 326 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 326 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 326 G C 0.297 175.168 174.900 -0.048 0.000 1.058 326 G CA 0.098 45.166 45.100 -0.053 0.000 0.781 326 G HN 0.406 nan 8.290 nan 0.000 0.496 327 A N -0.504 122.282 122.820 -0.058 0.000 2.594 327 A HA 0.582 4.902 4.320 0.000 0.000 0.292 327 A C 1.186 178.739 177.584 -0.053 0.000 1.026 327 A CA 0.993 53.000 52.037 -0.051 0.000 0.983 327 A CB 0.223 19.193 19.000 -0.050 0.000 1.233 327 A HN 0.386 nan 8.150 nan 0.000 0.519 328 D N 0.678 121.046 120.400 -0.053 0.000 2.183 328 D HA -0.149 4.491 4.640 0.000 0.000 0.203 328 D C 2.064 178.337 176.300 -0.046 0.000 0.969 328 D CA 1.370 55.339 54.000 -0.051 0.000 0.842 328 D CB -0.227 40.545 40.800 -0.048 0.000 0.957 328 D HN 0.413 nan 8.370 nan 0.000 0.484 329 S N 1.261 116.936 115.700 -0.042 0.000 2.365 329 S HA -0.242 4.228 4.470 0.000 0.000 0.225 329 S C 2.250 176.824 174.600 -0.045 0.000 1.039 329 S CA 1.060 59.236 58.200 -0.039 0.000 1.033 329 S CB -0.850 62.328 63.200 -0.036 0.000 0.887 329 S HN 0.387 nan 8.310 nan 0.000 0.447 330 A N 2.087 124.879 122.820 -0.046 0.000 1.898 330 A HA 0.105 4.425 4.320 0.000 0.000 0.216 330 A C 2.289 179.841 177.584 -0.053 0.000 1.181 330 A CA 1.490 53.497 52.037 -0.050 0.000 0.620 330 A CB -0.782 18.192 19.000 -0.044 0.000 0.819 330 A HN 0.838 nan 8.150 nan 0.000 0.442 331 I N -3.084 117.456 120.570 -0.051 0.000 3.251 331 I HA 0.042 4.212 4.170 0.000 0.000 0.277 331 I C 1.038 177.125 176.117 -0.049 0.000 1.268 331 I CA 1.259 62.527 61.300 -0.052 0.000 1.449 331 I CB -0.031 37.932 38.000 -0.061 0.000 1.083 331 I HN -0.011 nan 8.210 nan 0.000 0.464 332 D N 1.886 122.258 120.400 -0.047 0.000 2.123 332 D HA -0.038 4.602 4.640 0.000 0.000 0.200 332 D C 2.324 178.600 176.300 -0.041 0.000 0.976 332 D CA 1.745 55.721 54.000 -0.041 0.000 0.831 332 D CB -0.003 40.775 40.800 -0.037 0.000 0.974 332 D HN 0.518 nan 8.370 nan 0.000 0.469 333 A N 0.426 123.215 122.820 -0.051 0.000 1.930 333 A HA -0.060 4.260 4.320 0.000 0.000 0.217 333 A C 2.370 179.912 177.584 -0.069 0.000 1.175 333 A CA 0.703 52.701 52.037 -0.065 0.000 0.627 333 A CB -0.623 18.320 19.000 -0.094 0.000 0.815 333 A HN 0.193 nan 8.150 nan 0.000 0.443 334 L N -1.184 120.002 121.223 -0.062 0.000 2.093 334 L HA -0.126 4.214 4.340 0.000 0.000 0.208 334 L C 2.759 179.613 176.870 -0.027 0.000 1.085 334 L CA 1.527 56.340 54.840 -0.045 0.000 0.755 334 L CB -0.406 41.635 42.059 -0.030 0.000 0.904 334 L HN 0.432 nan 8.230 nan 0.000 0.435 335 R N 0.375 120.858 120.500 -0.028 0.000 2.081 335 R HA -0.156 4.184 4.340 0.000 0.000 0.235 335 R C 2.346 178.639 176.300 -0.012 0.000 1.131 335 R CA 1.199 57.287 56.100 -0.020 0.000 0.960 335 R CB -0.132 30.153 30.300 -0.026 0.000 0.856 335 R HN 0.301 nan 8.270 nan 0.000 0.436 336 L N 0.603 121.818 121.223 -0.013 0.000 1.989 336 L HA -0.270 4.070 4.340 0.000 0.000 0.211 336 L C 2.745 179.623 176.870 0.014 0.000 1.071 336 L CA 1.884 56.724 54.840 0.001 0.000 0.749 336 L CB -0.684 41.373 42.059 -0.002 0.000 0.890 336 L HN 0.462 nan 8.230 nan 0.000 0.431 337 Q N -0.569 119.234 119.800 0.005 0.000 2.135 337 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 337 Q C 2.126 178.134 176.000 0.013 0.000 0.981 337 Q CA 1.773 57.586 55.803 0.017 0.000 0.856 337 Q CB 0.147 28.878 28.738 -0.011 0.000 0.902 337 Q HN 0.370 nan 8.270 nan 0.000 0.425 338 V N 0.238 120.155 119.914 0.005 0.000 2.446 338 V HA -0.146 3.974 4.120 0.000 0.000 0.244 338 V C 2.063 178.161 176.094 0.007 0.000 1.039 338 V CA 1.431 63.733 62.300 0.002 0.000 1.045 338 V CB -0.256 31.567 31.823 0.001 0.000 0.681 338 V HN 0.235 nan 8.190 nan 0.000 0.459 339 K N 0.856 121.262 120.400 0.010 0.000 2.155 339 K HA -0.047 4.273 4.320 0.000 0.000 0.203 339 K C 0.691 177.303 176.600 0.020 0.000 1.052 339 K CA 0.874 57.167 56.287 0.011 0.000 0.948 339 K CB 0.136 32.641 32.500 0.007 0.000 0.728 339 K HN 0.495 nan 8.250 nan 0.000 0.448 340 K N -0.779 119.641 120.400 0.033 0.000 2.716 340 K HA 0.415 4.735 4.320 0.000 0.000 0.249 340 K C -0.467 176.184 176.600 0.084 0.000 1.004 340 K CA -0.518 55.799 56.287 0.049 0.000 0.968 340 K CB 1.659 34.185 32.500 0.043 0.000 1.214 340 K HN 0.137 nan 8.250 nan 0.000 0.476 341 G N 1.122 109.978 108.800 0.093 0.000 2.291 341 G HA2 0.376 4.336 3.960 0.000 0.000 0.249 341 G HA3 0.376 4.336 3.960 0.000 0.000 0.249 341 G C -0.755 174.159 174.900 0.023 0.000 1.340 341 G CA -0.250 44.941 45.100 0.152 0.000 1.017 341 G HN 1.031 nan 8.290 nan 0.000 0.470 342 G N -0.883 107.839 108.800 -0.129 0.000 2.561 342 G HA2 0.676 4.636 3.960 0.000 0.000 0.310 342 G HA3 0.676 4.636 3.960 0.000 0.000 0.310 342 G C -0.617 174.086 174.900 -0.329 0.000 1.292 342 G CA 0.413 45.378 45.100 -0.225 0.000 0.811 342 G HN 1.625 nan 8.290 nan 0.000 0.482 343 N N -0.319 118.236 118.700 -0.242 0.000 2.347 343 N HA 0.232 4.972 4.740 0.000 0.000 0.253 343 N C 0.555 175.917 175.510 -0.248 0.000 1.274 343 N CA -0.184 52.769 53.050 -0.162 0.000 0.941 343 N CB 1.017 39.464 38.487 -0.067 0.000 1.200 343 N HN 0.585 nan 8.380 nan 0.000 0.514 344 E N -1.338 118.808 120.200 -0.089 0.000 2.478 344 E HA -0.049 4.301 4.350 0.000 0.000 0.198 344 E C 1.180 177.775 176.600 -0.007 0.000 1.046 344 E CA 0.543 56.918 56.400 -0.042 0.000 0.870 344 E CB -0.101 29.578 29.700 -0.034 0.000 0.818 344 E HN 0.681 nan 8.360 nan 0.000 0.527 345 A N 0.572 123.374 122.820 -0.030 0.000 1.935 345 A HA -0.130 4.190 4.320 0.000 0.000 0.214 345 A C 1.992 179.585 177.584 0.015 0.000 1.178 345 A CA 0.596 52.636 52.037 0.005 0.000 0.640 345 A CB -0.084 18.904 19.000 -0.020 0.000 0.825 345 A HN 0.122 nan 8.150 nan 0.000 0.447 346 Q N -1.359 118.407 119.800 -0.057 0.000 2.096 346 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 346 Q C 1.678 177.770 176.000 0.153 0.000 0.982 346 Q CA 1.780 57.566 55.803 -0.027 0.000 0.850 346 Q CB -0.242 28.391 28.738 -0.174 0.000 0.901 346 Q HN 0.796 nan 8.270 nan 0.000 0.422 347 Y N -0.614 119.749 120.300 0.106 0.000 2.395 347 Y HA -0.029 4.521 4.550 0.000 0.000 0.293 347 Y C 1.986 178.002 175.900 0.192 0.000 1.123 347 Y CA 0.520 58.701 58.100 0.135 0.000 1.227 347 Y CB -0.352 38.178 38.460 0.116 0.000 1.012 347 Y HN 0.148 nan 8.280 nan 0.000 0.552 348 M N -0.876 118.929 119.600 0.342 0.000 2.213 348 M HA -0.227 4.253 4.480 0.000 0.000 0.263 348 M C 2.233 178.781 176.300 0.414 0.000 1.062 348 M CA 1.629 57.137 55.300 0.348 0.000 1.105 348 M CB -0.182 32.635 32.600 0.362 0.000 1.385 348 M HN 0.061 nan 8.290 nan 0.000 0.417 349 R N -0.220 120.484 120.500 0.339 0.000 2.161 349 R HA -0.045 4.295 4.340 0.000 0.000 0.213 349 R C 1.797 178.260 176.300 0.273 0.000 1.055 349 R CA 0.824 57.113 56.100 0.316 0.000 0.996 349 R CB 0.095 30.494 30.300 0.166 0.000 0.901 349 R HN 0.441 nan 8.270 nan 0.000 0.456 350 E N -0.335 120.024 120.200 0.266 0.000 2.106 350 E HA -0.200 4.150 4.350 0.000 0.000 0.192 350 E C 1.502 178.219 176.600 0.196 0.000 0.984 350 E CA 0.992 57.517 56.400 0.207 0.000 0.806 350 E CB -0.078 29.746 29.700 0.206 0.000 0.750 350 E HN 0.250 nan 8.360 nan 0.000 0.458 351 F N 0.704 120.719 119.950 0.109 0.000 2.171 351 F HA -0.196 4.331 4.527 0.000 0.000 0.300 351 F C 1.981 177.806 175.800 0.041 0.000 1.090 351 F CA 0.890 58.926 58.000 0.060 0.000 1.293 351 F CB 0.148 39.183 39.000 0.059 0.000 1.013 351 F HN -0.045 nan 8.300 nan 0.000 0.486 352 I N 0.187 120.961 120.570 0.340 0.000 2.500 352 I HA -0.051 4.119 4.170 0.000 0.000 0.252 352 I C 2.388 178.566 176.117 0.103 0.000 1.142 352 I CA 1.179 62.611 61.300 0.220 0.000 1.451 352 I CB -0.675 37.467 38.000 0.238 0.000 1.093 352 I HN 0.134 nan 8.210 nan 0.000 0.430 353 A N -0.794 122.088 122.820 0.103 0.000 2.168 353 A HA -0.127 4.193 4.320 0.000 0.000 0.215 353 A C 1.324 178.908 177.584 -0.001 0.000 1.152 353 A CA 1.247 53.319 52.037 0.057 0.000 0.716 353 A CB -0.586 18.457 19.000 0.072 0.000 0.794 353 A HN 0.330 nan 8.150 nan 0.000 0.465 354 D N -0.739 119.628 120.400 -0.055 0.000 2.434 354 D HA 0.366 5.006 4.640 0.000 0.000 0.232 354 D C 1.227 177.440 176.300 -0.144 0.000 1.166 354 D CA 0.979 54.905 54.000 -0.123 0.000 0.830 354 D CB -0.186 40.484 40.800 -0.217 0.000 0.960 354 D HN 0.433 nan 8.370 nan 0.000 0.497 355 G N -0.045 108.705 108.800 -0.084 0.000 2.153 355 G HA2 -0.210 3.750 3.960 0.000 0.000 0.252 355 G HA3 -0.210 3.750 3.960 0.000 0.000 0.252 355 G C 0.746 175.595 174.900 -0.086 0.000 0.994 355 G CA -0.004 45.055 45.100 -0.069 0.000 0.698 355 G HN 0.572 nan 8.290 nan 0.000 0.521 356 G N -0.134 108.594 108.800 -0.119 0.000 2.476 356 G HA2 0.685 4.645 3.960 0.000 0.000 0.269 356 G HA3 0.685 4.645 3.960 0.000 0.000 0.269 356 G C 0.538 175.487 174.900 0.082 0.000 1.195 356 G CA 0.828 45.901 45.100 -0.045 0.000 0.843 356 G HN 1.476 nan 8.290 nan 0.000 0.545 357 S N 0.571 116.323 115.700 0.086 0.000 2.707 357 S HA 0.362 4.832 4.470 0.000 0.000 0.276 357 S C 1.309 175.893 174.600 -0.027 0.000 1.179 357 S CA -0.892 57.310 58.200 0.003 0.000 0.992 357 S CB 1.352 64.528 63.200 -0.041 0.000 1.030 357 S HN 0.370 nan 8.310 nan 0.000 0.554 358 L N 0.314 121.470 121.223 -0.112 0.000 2.179 358 L HA 0.048 4.388 4.340 0.000 0.000 0.208 358 L C 2.162 179.031 176.870 -0.001 0.000 1.096 358 L CA 0.503 55.280 54.840 -0.106 0.000 0.779 358 L CB -0.379 41.646 42.059 -0.057 0.000 0.922 358 L HN 0.669 nan 8.230 nan 0.000 0.443 359 I N 0.208 120.722 120.570 -0.094 0.000 2.361 359 I HA -0.183 3.987 4.170 0.000 0.000 0.251 359 I C 2.398 178.423 176.117 -0.154 0.000 1.133 359 I CA 1.697 62.987 61.300 -0.016 0.000 1.413 359 I CB -1.174 36.786 38.000 -0.066 0.000 1.073 359 I HN 0.275 nan 8.210 nan 0.000 0.424 360 G N 0.279 108.996 108.800 -0.138 0.000 2.539 360 G HA2 -0.118 3.842 3.960 0.000 0.000 0.215 360 G HA3 -0.118 3.842 3.960 0.000 0.000 0.215 360 G C 1.676 176.381 174.900 -0.326 0.000 1.141 360 G CA -0.020 44.986 45.100 -0.156 0.000 0.806 360 G HN 0.244 nan 8.290 nan 0.000 0.533 361 L N 1.019 121.972 121.223 -0.450 0.000 1.994 361 L HA -0.030 4.310 4.340 0.000 0.000 0.208 361 L C 2.881 179.195 176.870 -0.927 0.000 1.071 361 L CA 1.563 55.858 54.840 -0.909 0.000 0.745 361 L CB -0.525 41.114 42.059 -0.700 0.000 0.892 361 L HN 0.059 nan 8.230 nan 0.000 0.431 362 V N -0.156 119.395 119.914 -0.606 0.000 2.407 362 V HA -0.337 3.784 4.120 0.000 0.000 0.248 362 V C 2.565 178.375 176.094 -0.473 0.000 1.055 362 V CA 2.056 64.050 62.300 -0.508 0.000 1.049 362 V CB -0.806 30.810 31.823 -0.344 0.000 0.662 362 V HN 0.694 nan 8.190 nan 0.000 0.455 363 Q N 0.524 119.924 119.800 -0.667 0.000 2.119 363 Q HA -0.289 4.052 4.340 0.000 0.000 0.201 363 Q C 2.245 178.076 176.000 -0.282 0.000 0.972 363 Q CA 2.084 57.486 55.803 -0.667 0.000 0.847 363 Q CB -0.074 28.128 28.738 -0.895 0.000 0.903 363 Q HN 0.590 nan 8.270 nan 0.000 0.433 364 K N -0.663 119.548 120.400 -0.315 0.000 2.217 364 K HA -0.144 4.176 4.320 0.000 0.000 0.202 364 K C 1.631 178.212 176.600 -0.032 0.000 1.051 364 K CA 1.312 57.499 56.287 -0.166 0.000 0.952 364 K CB -0.013 32.346 32.500 -0.235 0.000 0.736 364 K HN 0.332 nan 8.250 nan 0.000 0.453 365 H N -0.760 118.201 119.070 -0.181 0.000 2.403 365 H HA 0.012 4.568 4.556 0.000 0.000 0.298 365 H C 2.027 177.319 175.328 -0.061 0.000 1.059 365 H CA 0.958 56.928 56.048 -0.130 0.000 1.363 365 H CB -0.730 28.915 29.762 -0.195 0.000 1.410 365 H HN 0.225 nan 8.280 nan 0.000 0.528 366 C N 0.841 120.175 119.300 0.055 0.000 2.429 366 C HA -0.101 4.359 4.460 0.000 0.000 0.277 366 C C 2.578 177.648 174.990 0.133 0.000 1.262 366 C CA 0.960 60.021 59.018 0.071 0.000 1.733 366 C CB -0.430 27.370 27.740 0.099 0.000 2.010 366 C HN 0.629 nan 8.230 nan 0.000 0.483 367 E N 0.369 120.631 120.200 0.104 0.000 2.046 367 E HA -0.099 4.251 4.350 0.000 0.000 0.190 367 E C 2.070 178.741 176.600 0.119 0.000 0.982 367 E CA 0.890 57.353 56.400 0.105 0.000 0.800 367 E CB -0.163 29.579 29.700 0.070 0.000 0.756 367 E HN 0.579 nan 8.360 nan 0.000 0.449 368 I N 0.313 120.955 120.570 0.119 0.000 2.248 368 I HA -0.231 3.939 4.170 0.000 0.000 0.248 368 I C 0.921 177.118 176.117 0.132 0.000 1.107 368 I CA 0.782 62.145 61.300 0.105 0.000 1.373 368 I CB -0.161 37.894 38.000 0.092 0.000 1.055 368 I HN 0.276 nan 8.210 nan 0.000 0.418 369 W N 2.920 124.204 121.300 -0.026 0.000 1.534 369 W HA 0.361 5.021 4.660 0.000 0.000 0.520 369 W C 0.479 176.994 176.519 -0.005 0.000 0.682 369 W CA 1.136 58.465 57.345 -0.027 0.000 2.176 369 W CB -0.596 28.841 29.460 -0.038 0.000 1.620 369 W HN 0.239 nan 8.180 nan 0.000 0.206 370 A N 0.000 122.800 122.820 -0.033 0.000 2.254 370 A HA 0.000 4.320 4.320 0.000 0.000 0.244 370 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 370 A CB 0.000 19.021 19.000 0.035 0.000 0.831 370 A HN 0.000 nan 8.150 nan 0.000 0.486