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 3jyt_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFK KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXXGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQ 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.614 174.600 0.023 0.000 1.055 3 S CA 0.000 58.212 58.200 0.019 0.000 1.107 3 S CB 0.000 63.212 63.200 0.021 0.000 0.593 4 P HA 0.269 nan 4.420 nan 0.000 0.252 4 P C -0.327 176.991 177.300 0.031 0.000 1.635 4 P CA 0.284 63.399 63.100 0.025 0.000 1.206 4 P CB -0.287 31.426 31.700 0.022 0.000 1.911 5 I N 0.790 121.382 120.570 0.036 0.000 3.660 5 I HA 0.408 4.578 4.170 -0.000 0.000 0.285 5 I C 0.689 176.836 176.117 0.049 0.000 1.266 5 I CA -0.970 60.356 61.300 0.045 0.000 0.987 5 I CB 1.144 39.173 38.000 0.048 0.000 1.417 5 I HN 0.127 nan 8.210 nan 0.000 0.590 6 E N 0.544 120.780 120.200 0.059 0.000 3.011 6 E HA 0.177 4.526 4.350 -0.000 0.000 0.315 6 E C -1.180 175.463 176.600 0.072 0.000 1.176 6 E CA -0.632 55.805 56.400 0.061 0.000 0.819 6 E CB 0.475 30.211 29.700 0.061 0.000 1.508 6 E HN 0.600 nan 8.360 nan 0.000 0.381 7 T N -0.720 113.874 114.554 0.068 0.000 2.775 7 T HA 0.250 4.600 4.350 -0.000 0.000 0.287 7 T C 0.848 175.588 174.700 0.067 0.000 0.909 7 T CA -0.603 61.542 62.100 0.074 0.000 1.081 7 T CB 0.359 69.270 68.868 0.072 0.000 0.891 7 T HN 0.463 nan 8.240 nan 0.000 0.544 8 V N 2.736 122.695 119.914 0.075 0.000 2.493 8 V HA 0.311 4.430 4.120 -0.000 0.000 0.292 8 V C -1.895 174.215 176.094 0.026 0.000 1.016 8 V CA -1.803 60.541 62.300 0.072 0.000 1.097 8 V CB -0.475 31.419 31.823 0.118 0.000 0.947 8 V HN 0.715 nan 8.190 nan 0.000 0.479 9 P HA 0.417 nan 4.420 nan 0.000 0.271 9 P C -0.715 176.527 177.300 -0.096 0.000 1.216 9 P CA -0.089 63.002 63.100 -0.014 0.000 0.776 9 P CB 1.556 33.270 31.700 0.023 0.000 0.881 10 V N 2.326 122.098 119.914 -0.236 0.000 3.087 10 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 10 V C -0.150 175.716 176.094 -0.379 0.000 1.187 10 V CA -0.704 61.328 62.300 -0.447 0.000 0.999 10 V CB 2.440 33.654 31.823 -1.015 0.000 1.049 10 V HN 0.635 nan 8.190 nan 0.000 0.431 11 K N 1.792 122.040 120.400 -0.254 0.000 2.482 11 K HA 0.744 5.064 4.320 -0.000 0.000 0.257 11 K C -1.569 175.003 176.600 -0.047 0.000 0.969 11 K CA -0.811 55.425 56.287 -0.085 0.000 0.842 11 K CB 2.367 34.877 32.500 0.016 0.000 1.359 11 K HN 0.641 nan 8.250 nan 0.000 0.441 12 L N 2.381 123.613 121.223 0.014 0.000 2.439 12 L HA 0.355 4.695 4.340 -0.000 0.000 0.261 12 L C 0.626 177.526 176.870 0.049 0.000 1.153 12 L CA -0.791 54.062 54.840 0.022 0.000 0.808 12 L CB 0.568 42.586 42.059 -0.070 0.000 1.126 12 L HN 0.672 nan 8.230 nan 0.000 0.460 13 K N 1.367 121.809 120.400 0.071 0.000 2.393 13 K HA -0.000 4.320 4.320 -0.000 0.000 0.264 13 K C -2.177 174.453 176.600 0.051 0.000 0.979 13 K CA -0.830 55.494 56.287 0.063 0.000 0.893 13 K CB -0.154 32.390 32.500 0.073 0.000 0.967 13 K HN 0.393 nan 8.250 nan 0.000 0.521 14 P HA 0.007 nan 4.420 nan 0.000 0.276 14 P C -0.120 177.208 177.300 0.047 0.000 1.235 14 P CA 0.209 63.335 63.100 0.043 0.000 0.772 14 P CB 0.655 32.376 31.700 0.034 0.000 0.871 15 G N 3.396 112.228 108.800 0.053 0.000 2.333 15 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.296 15 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.296 15 G C -0.092 174.843 174.900 0.058 0.000 1.059 15 G CA -0.253 44.880 45.100 0.056 0.000 1.050 15 G HN 0.549 nan 8.290 nan 0.000 0.508 16 M N 0.595 120.231 119.600 0.060 0.000 2.122 16 M HA 0.205 4.685 4.480 -0.000 0.000 0.269 16 M C -0.333 175.996 176.300 0.048 0.000 0.954 16 M CA -0.832 54.500 55.300 0.053 0.000 0.998 16 M CB 1.424 34.051 32.600 0.045 0.000 1.755 16 M HN 0.169 nan 8.290 nan 0.000 0.459 17 D N 1.455 121.901 120.400 0.076 0.000 2.312 17 D HA 0.290 4.930 4.640 -0.000 0.000 0.244 17 D C 0.422 176.714 176.300 -0.014 0.000 1.328 17 D CA 0.733 54.798 54.000 0.109 0.000 0.965 17 D CB 1.046 41.955 40.800 0.183 0.000 1.140 17 D HN 0.742 nan 8.370 nan 0.000 0.523 18 G N -0.633 108.097 108.800 -0.116 0.000 2.568 18 G HA2 0.404 4.363 3.960 -0.000 0.000 0.293 18 G HA3 0.404 4.363 3.960 -0.000 0.000 0.293 18 G C -2.458 172.412 174.900 -0.050 0.000 1.347 18 G CA -0.756 44.148 45.100 -0.327 0.000 1.039 18 G HN 0.327 nan 8.290 nan 0.000 0.523 19 P HA 0.241 nan 4.420 nan 0.000 0.275 19 P C -0.969 176.439 177.300 0.180 0.000 1.276 19 P CA 0.087 63.242 63.100 0.092 0.000 0.782 19 P CB 0.764 32.511 31.700 0.077 0.000 0.851 20 K N 2.683 123.183 120.400 0.167 0.000 2.724 20 K HA 0.312 4.631 4.320 -0.000 0.000 0.198 20 K C -0.462 176.200 176.600 0.104 0.000 1.099 20 K CA -0.623 55.758 56.287 0.157 0.000 1.025 20 K CB 1.314 33.915 32.500 0.168 0.000 1.509 20 K HN 0.221 nan 8.250 nan 0.000 0.564 21 V N 1.745 121.712 119.914 0.088 0.000 2.347 21 V HA 0.241 4.361 4.120 -0.000 0.000 0.280 21 V C -0.399 175.733 176.094 0.064 0.000 1.021 21 V CA -0.785 61.567 62.300 0.087 0.000 0.847 21 V CB 0.746 32.629 31.823 0.099 0.000 0.990 21 V HN 0.422 nan 8.190 nan 0.000 0.444 22 K N 4.475 124.921 120.400 0.077 0.000 2.524 22 K HA 0.063 4.383 4.320 -0.000 0.000 0.279 22 K C 0.048 176.666 176.600 0.029 0.000 0.993 22 K CA 0.217 56.534 56.287 0.051 0.000 1.030 22 K CB 0.452 32.996 32.500 0.072 0.000 0.891 22 K HN 0.815 nan 8.250 nan 0.000 0.488 23 Q N 4.108 123.863 119.800 -0.075 0.000 2.327 23 Q HA 0.088 4.428 4.340 -0.000 0.000 0.254 23 Q C -1.197 174.718 176.000 -0.141 0.000 0.952 23 Q CA -0.100 55.550 55.803 -0.255 0.000 0.884 23 Q CB 0.636 29.235 28.738 -0.231 0.000 1.224 23 Q HN 0.522 nan 8.270 nan 0.000 0.422 24 W N 2.027 123.317 121.300 -0.018 0.000 2.639 24 W HA 0.574 5.233 4.660 -0.000 0.000 0.347 24 W C -2.483 173.982 176.519 -0.089 0.000 1.067 24 W CA -2.646 54.668 57.345 -0.052 0.000 1.218 24 W CB -0.560 28.868 29.460 -0.053 0.000 1.393 24 W HN 0.511 nan 8.180 nan 0.000 0.557 25 P HA -0.158 nan 4.420 nan 0.000 0.264 25 P C 0.174 177.507 177.300 0.055 0.000 1.156 25 P CA 0.953 64.087 63.100 0.057 0.000 0.756 25 P CB 0.640 32.343 31.700 0.006 0.000 0.764 26 L N 1.426 122.636 121.223 -0.021 0.000 2.242 26 L HA 0.556 4.895 4.340 -0.000 0.000 0.261 26 L C 0.630 177.453 176.870 -0.080 0.000 1.052 26 L CA -0.641 54.172 54.840 -0.046 0.000 0.972 26 L CB 1.510 43.529 42.059 -0.067 0.000 1.562 26 L HN 0.238 nan 8.230 nan 0.000 0.509 27 T N -1.373 113.121 114.554 -0.099 0.000 2.942 27 T HA 0.158 4.508 4.350 -0.000 0.000 0.289 27 T C 0.634 175.260 174.700 -0.124 0.000 1.044 27 T CA -0.488 61.548 62.100 -0.105 0.000 1.023 27 T CB 2.419 71.225 68.868 -0.103 0.000 1.123 27 T HN 0.662 nan 8.240 nan 0.000 0.512 28 E N 1.393 121.530 120.200 -0.106 0.000 2.023 28 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 28 E C 1.826 178.324 176.600 -0.171 0.000 1.003 28 E CA 2.311 58.643 56.400 -0.113 0.000 0.809 28 E CB -0.117 29.535 29.700 -0.080 0.000 0.755 28 E HN 0.805 nan 8.360 nan 0.000 0.449 29 E N 0.807 120.896 120.200 -0.186 0.000 2.097 29 E HA -0.267 4.082 4.350 -0.000 0.000 0.196 29 E C 2.168 178.417 176.600 -0.585 0.000 1.000 29 E CA 1.441 57.651 56.400 -0.317 0.000 0.804 29 E CB -0.276 29.298 29.700 -0.210 0.000 0.740 29 E HN 0.204 nan 8.360 nan 0.000 0.454 30 K N 0.462 120.580 120.400 -0.470 0.000 2.057 30 K HA -0.065 4.254 4.320 -0.000 0.000 0.207 30 K C 2.266 178.669 176.600 -0.328 0.000 1.049 30 K CA 1.555 57.566 56.287 -0.460 0.000 0.931 30 K CB -0.149 32.233 32.500 -0.197 0.000 0.714 30 K HN 0.218 nan 8.250 nan 0.000 0.440 31 I N 1.086 121.517 120.570 -0.231 0.000 2.286 31 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 31 I C 2.118 178.124 176.117 -0.185 0.000 1.104 31 I CA 1.166 62.363 61.300 -0.171 0.000 1.397 31 I CB -0.182 37.742 38.000 -0.127 0.000 1.072 31 I HN 0.130 nan 8.210 nan 0.000 0.417 32 K N 0.811 121.081 120.400 -0.217 0.000 2.152 32 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 32 K C 2.100 178.572 176.600 -0.214 0.000 1.048 32 K CA 1.649 57.820 56.287 -0.193 0.000 0.933 32 K CB -0.120 32.267 32.500 -0.189 0.000 0.721 32 K HN 0.350 nan 8.250 nan 0.000 0.447 33 A N 0.833 123.453 122.820 -0.333 0.000 1.901 33 A HA -0.022 4.297 4.320 -0.000 0.000 0.210 33 A C 1.885 179.367 177.584 -0.170 0.000 1.208 33 A CA 0.237 52.097 52.037 -0.295 0.000 0.644 33 A CB -0.357 18.286 19.000 -0.594 0.000 0.863 33 A HN 0.158 nan 8.150 nan 0.000 0.454 34 L N 0.333 121.448 121.223 -0.181 0.000 2.129 34 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 34 L C 2.347 179.165 176.870 -0.087 0.000 1.087 34 L CA 2.217 56.996 54.840 -0.101 0.000 0.757 34 L CB -0.672 41.332 42.059 -0.091 0.000 0.896 34 L HN 0.294 nan 8.230 nan 0.000 0.434 35 V N -0.655 119.202 119.914 -0.096 0.000 2.426 35 V HA -0.160 3.960 4.120 -0.000 0.000 0.242 35 V C 2.437 178.487 176.094 -0.072 0.000 1.036 35 V CA 1.509 63.767 62.300 -0.071 0.000 1.044 35 V CB -0.009 31.779 31.823 -0.058 0.000 0.688 35 V HN 0.516 nan 8.190 nan 0.000 0.462 36 E N -0.257 119.898 120.200 -0.075 0.000 2.219 36 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 36 E C 1.996 178.563 176.600 -0.055 0.000 0.998 36 E CA 1.904 58.270 56.400 -0.057 0.000 0.818 36 E CB -0.136 29.532 29.700 -0.053 0.000 0.741 36 E HN 0.740 nan 8.360 nan 0.000 0.477 37 I N -0.102 120.428 120.570 -0.066 0.000 2.130 37 I HA -0.293 3.876 4.170 -0.000 0.000 0.234 37 I C 2.470 178.511 176.117 -0.127 0.000 1.067 37 I CA 0.637 61.894 61.300 -0.072 0.000 1.339 37 I CB -0.362 37.602 38.000 -0.060 0.000 1.073 37 I HN 0.245 nan 8.210 nan 0.000 0.405 38 C N 0.667 119.857 119.300 -0.184 0.000 2.393 38 C HA -0.181 4.279 4.460 -0.000 0.000 0.292 38 C C 2.924 177.760 174.990 -0.257 0.000 1.347 38 C CA 1.308 60.118 59.018 -0.347 0.000 1.810 38 C CB -1.482 25.898 27.740 -0.600 0.000 1.899 38 C HN 0.560 nan 8.230 nan 0.000 0.532 39 T N 0.271 114.753 114.554 -0.121 0.000 2.668 39 T HA -0.135 4.215 4.350 -0.000 0.000 0.262 39 T C 1.788 176.455 174.700 -0.055 0.000 1.045 39 T CA 1.541 63.611 62.100 -0.049 0.000 1.152 39 T CB -0.217 68.633 68.868 -0.030 0.000 0.864 39 T HN 0.456 nan 8.240 nan 0.000 0.419 40 E N 1.010 121.173 120.200 -0.062 0.000 2.051 40 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 40 E C 2.117 178.671 176.600 -0.077 0.000 0.991 40 E CA 1.129 57.497 56.400 -0.053 0.000 0.799 40 E CB -0.370 29.305 29.700 -0.042 0.000 0.748 40 E HN 0.428 nan 8.360 nan 0.000 0.449 41 M N -0.097 119.428 119.600 -0.125 0.000 2.337 41 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 41 M C 2.092 178.313 176.300 -0.132 0.000 1.067 41 M CA 1.475 56.672 55.300 -0.171 0.000 1.074 41 M CB -0.133 32.313 32.600 -0.256 0.000 1.395 41 M HN 0.159 nan 8.290 nan 0.000 0.431 42 E N 0.402 120.547 120.200 -0.092 0.000 2.127 42 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 42 E C 1.823 178.416 176.600 -0.011 0.000 0.964 42 E CA 0.551 56.938 56.400 -0.022 0.000 0.832 42 E CB 0.139 29.878 29.700 0.064 0.000 0.790 42 E HN 0.287 nan 8.360 nan 0.000 0.465 43 K N 0.443 120.833 120.400 -0.017 0.000 2.520 43 K HA -0.134 4.186 4.320 -0.000 0.000 0.197 43 K C 0.053 176.646 176.600 -0.012 0.000 1.043 43 K CA 1.139 57.419 56.287 -0.011 0.000 0.944 43 K CB 0.139 32.631 32.500 -0.014 0.000 0.770 43 K HN 0.116 nan 8.250 nan 0.000 0.480 44 E N -0.984 119.204 120.200 -0.020 0.000 3.575 44 E HA 0.139 4.489 4.350 -0.000 0.000 0.201 44 E C 0.087 176.681 176.600 -0.009 0.000 0.999 44 E CA -0.026 56.366 56.400 -0.013 0.000 1.315 44 E CB 1.046 30.734 29.700 -0.020 0.000 1.146 44 E HN 0.349 nan 8.360 nan 0.000 0.453 45 G N 1.977 110.777 108.800 -0.000 0.000 2.397 45 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.312 45 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.312 45 G C 1.030 175.945 174.900 0.025 0.000 0.970 45 G CA 1.452 46.560 45.100 0.014 0.000 0.770 45 G HN 0.338 nan 8.290 nan 0.000 0.513 46 K N -0.634 119.763 120.400 -0.005 0.000 2.116 46 K HA 0.175 4.494 4.320 -0.000 0.000 0.203 46 K C 1.479 178.118 176.600 0.065 0.000 1.052 46 K CA 1.315 57.613 56.287 0.019 0.000 0.952 46 K CB 0.084 32.499 32.500 -0.143 0.000 0.729 46 K HN 0.754 nan 8.250 nan 0.000 0.446 47 I N -2.749 117.801 120.570 -0.035 0.000 2.892 47 I HA 0.420 4.590 4.170 -0.000 0.000 0.306 47 I C -0.939 175.209 176.117 0.052 0.000 1.078 47 I CA -1.009 60.259 61.300 -0.053 0.000 1.032 47 I CB 2.480 40.347 38.000 -0.221 0.000 1.229 47 I HN -0.317 nan 8.210 nan 0.000 0.435 48 S N 1.977 117.743 115.700 0.111 0.000 2.614 48 S HA 0.361 4.831 4.470 -0.000 0.000 0.275 48 S C -0.819 173.797 174.600 0.026 0.000 1.161 48 S CA -0.892 57.360 58.200 0.086 0.000 0.969 48 S CB 1.687 64.900 63.200 0.022 0.000 1.059 48 S HN 0.535 nan 8.310 nan 0.000 0.482 49 K N 2.495 122.827 120.400 -0.113 0.000 2.561 49 K HA 0.187 4.507 4.320 -0.000 0.000 0.280 49 K C 0.081 176.515 176.600 -0.276 0.000 0.975 49 K CA 0.564 56.593 56.287 -0.429 0.000 1.024 49 K CB -0.024 32.203 32.500 -0.455 0.000 0.883 49 K HN 0.638 nan 8.250 nan 0.000 0.496 50 I N -2.000 118.380 120.570 -0.317 0.000 2.969 50 I HA 0.597 4.767 4.170 -0.000 0.000 0.307 50 I C 0.136 176.119 176.117 -0.225 0.000 1.149 50 I CA -1.132 60.037 61.300 -0.219 0.000 1.008 50 I CB 2.141 40.036 38.000 -0.174 0.000 1.232 50 I HN 0.548 nan 8.210 nan 0.000 0.435 51 G N 1.812 110.505 108.800 -0.177 0.000 2.606 51 G HA2 0.554 4.513 3.960 -0.000 0.000 0.262 51 G HA3 0.554 4.513 3.960 -0.000 0.000 0.262 51 G C -2.242 172.562 174.900 -0.159 0.000 1.394 51 G CA -1.222 43.779 45.100 -0.166 0.000 1.044 51 G HN 0.517 nan 8.290 nan 0.000 0.553 52 P HA 0.002 nan 4.420 nan 0.000 0.222 52 P C 1.588 178.804 177.300 -0.140 0.000 1.153 52 P CA 0.929 63.950 63.100 -0.132 0.000 0.798 52 P CB 0.212 31.845 31.700 -0.111 0.000 0.796 53 E N -0.272 119.846 120.200 -0.137 0.000 2.510 53 E HA -0.152 4.198 4.350 -0.000 0.000 0.202 53 E C 0.209 176.693 176.600 -0.192 0.000 1.072 53 E CA 0.771 57.084 56.400 -0.144 0.000 0.883 53 E CB -1.144 28.485 29.700 -0.118 0.000 0.818 53 E HN 0.170 nan 8.360 nan 0.000 0.548 54 N N 2.189 120.762 118.700 -0.212 0.000 2.678 54 N HA 0.110 4.849 4.740 -0.000 0.000 0.231 54 N C -1.969 173.337 175.510 -0.340 0.000 1.038 54 N CA -2.133 50.748 53.050 -0.283 0.000 0.932 54 N CB 1.266 39.633 38.487 -0.200 0.000 1.176 54 N HN -0.108 nan 8.380 nan 0.000 0.511 55 P HA 0.019 nan 4.420 nan 0.000 0.258 55 P C -0.801 176.303 177.300 -0.327 0.000 1.319 55 P CA 0.240 63.090 63.100 -0.416 0.000 0.785 55 P CB -0.287 31.174 31.700 -0.398 0.000 1.252 56 Y N 0.712 120.984 120.300 -0.047 0.000 2.341 56 Y HA 0.575 5.125 4.550 -0.000 0.000 0.337 56 Y C 0.714 176.605 175.900 -0.016 0.000 1.014 56 Y CA -1.598 56.498 58.100 -0.007 0.000 1.111 56 Y CB 0.907 39.364 38.460 -0.006 0.000 1.194 56 Y HN -0.104 nan 8.280 nan 0.000 0.462 57 N N 0.096 118.899 118.700 0.172 0.000 2.405 57 N HA 0.622 5.362 4.740 -0.000 0.000 0.274 57 N C -1.779 173.759 175.510 0.046 0.000 1.170 57 N CA -0.447 52.647 53.050 0.073 0.000 0.848 57 N CB 1.857 40.353 38.487 0.014 0.000 1.629 57 N HN 0.500 nan 8.380 nan 0.000 0.481 58 T N 2.292 116.840 114.554 -0.009 0.000 2.886 58 T HA 0.527 4.877 4.350 -0.000 0.000 0.292 58 T C -2.807 171.797 174.700 -0.160 0.000 1.012 58 T CA -0.932 61.109 62.100 -0.098 0.000 0.982 58 T CB 2.018 70.731 68.868 -0.257 0.000 1.018 58 T HN 0.311 nan 8.240 nan 0.000 0.451 59 P HA 0.328 nan 4.420 nan 0.000 0.269 59 P C -0.881 176.196 177.300 -0.371 0.000 1.215 59 P CA -0.366 62.494 63.100 -0.399 0.000 0.780 59 P CB 0.632 32.143 31.700 -0.314 0.000 0.898 60 V N 3.407 123.039 119.914 -0.470 0.000 3.188 60 V HA 0.918 5.038 4.120 -0.000 0.000 0.305 60 V C -1.648 174.342 176.094 -0.173 0.000 1.232 60 V CA -0.661 61.463 62.300 -0.293 0.000 1.043 60 V CB 1.650 33.371 31.823 -0.170 0.000 1.068 60 V HN 0.639 nan 8.190 nan 0.000 0.439 61 F N 1.208 121.012 119.950 -0.243 0.000 3.265 61 F HA 0.969 5.496 4.527 -0.001 0.000 0.328 61 F C -0.879 174.892 175.800 -0.049 0.000 1.117 61 F CA -0.528 57.377 58.000 -0.158 0.000 0.850 61 F CB 0.323 39.254 39.000 -0.115 0.000 1.470 61 F HN 1.240 nan 8.300 nan 0.000 0.473 62 A N 0.719 123.706 122.820 0.278 0.000 2.485 62 A HA 0.964 5.284 4.320 -0.000 0.000 0.292 62 A C -1.345 176.543 177.584 0.507 0.000 1.147 62 A CA -0.625 51.554 52.037 0.236 0.000 0.750 62 A CB 1.844 20.998 19.000 0.257 0.000 1.331 62 A HN 1.419 nan 8.150 nan 0.000 0.419 63 I N -1.243 119.575 120.570 0.415 0.000 2.627 63 I HA 0.422 4.592 4.170 -0.000 0.000 0.288 63 I C -0.556 175.541 176.117 -0.034 0.000 1.202 63 I CA -0.722 60.743 61.300 0.275 0.000 1.050 63 I CB 1.476 39.625 38.000 0.248 0.000 1.264 63 I HN 0.748 nan 8.210 nan 0.000 0.429 64 K N 5.147 125.158 120.400 -0.648 0.000 2.187 64 K HA 0.351 4.671 4.320 -0.000 0.000 0.247 64 K C -0.589 175.780 176.600 -0.384 0.000 1.019 64 K CA -0.188 55.547 56.287 -0.918 0.000 0.893 64 K CB 0.942 32.498 32.500 -1.573 0.000 1.025 64 K HN 0.813 nan 8.250 nan 0.000 0.500 65 K N 1.760 121.996 120.400 -0.273 0.000 2.572 65 K HA 0.046 4.366 4.320 -0.000 0.000 0.263 65 K C -1.122 175.431 176.600 -0.080 0.000 0.932 65 K CA -0.389 55.820 56.287 -0.130 0.000 0.838 65 K CB 1.136 33.601 32.500 -0.058 0.000 1.366 65 K HN 0.718 nan 8.250 nan 0.000 0.425 66 K N 2.660 123.028 120.400 -0.054 0.000 3.349 66 K HA -0.270 4.050 4.320 -0.000 0.000 0.310 66 K C -0.588 176.001 176.600 -0.019 0.000 1.267 66 K CA 2.259 58.533 56.287 -0.023 0.000 0.920 66 K CB -1.412 31.108 32.500 0.033 0.000 1.240 66 K HN 1.043 nan 8.250 nan 0.000 0.453 67 D N -1.006 119.363 120.400 -0.053 0.000 2.947 67 D HA -0.144 4.496 4.640 -0.000 0.000 0.224 67 D C 0.570 176.853 176.300 -0.028 0.000 1.132 67 D CA 1.354 55.328 54.000 -0.043 0.000 0.801 67 D CB -1.133 39.658 40.800 -0.015 0.000 1.097 67 D HN 0.581 nan 8.370 nan 0.000 0.431 68 S N -1.419 114.254 115.700 -0.046 0.000 2.501 68 S HA 0.026 4.496 4.470 -0.000 0.000 0.220 68 S C 1.164 175.737 174.600 -0.046 0.000 0.997 68 S CA 0.896 59.082 58.200 -0.024 0.000 0.919 68 S CB -0.300 62.889 63.200 -0.020 0.000 0.778 68 S HN 0.893 nan 8.310 nan 0.000 0.523 69 T N -0.019 114.473 114.554 -0.102 0.000 3.795 69 T HA -0.188 4.162 4.350 -0.000 0.000 0.370 69 T C -0.380 174.261 174.700 -0.098 0.000 0.761 69 T CA 1.017 63.041 62.100 -0.125 0.000 1.923 69 T CB -2.418 66.426 68.868 -0.040 0.000 1.795 69 T HN 0.689 nan 8.240 nan 0.000 0.762 70 K N -0.219 120.084 120.400 -0.163 0.000 2.535 70 K HA 0.449 4.769 4.320 -0.000 0.000 0.250 70 K C -0.687 175.833 176.600 -0.133 0.000 0.948 70 K CA -0.815 55.447 56.287 -0.042 0.000 0.796 70 K CB 1.414 33.924 32.500 0.016 0.000 1.216 70 K HN 0.220 nan 8.250 nan 0.000 0.432 71 W N 2.254 123.566 121.300 0.019 0.000 2.251 71 W HA 0.384 5.043 4.660 -0.000 0.000 0.329 71 W C 0.574 177.101 176.519 0.014 0.000 1.234 71 W CA -0.288 57.068 57.345 0.018 0.000 1.228 71 W CB 0.577 30.043 29.460 0.010 0.000 1.135 71 W HN 0.342 nan 8.180 nan 0.000 0.576 72 R N 2.520 123.144 120.500 0.207 0.000 2.740 72 R HA 0.352 4.691 4.340 -0.000 0.000 0.282 72 R C -0.514 175.845 176.300 0.098 0.000 0.969 72 R CA -0.942 55.235 56.100 0.127 0.000 0.918 72 R CB 1.343 31.690 30.300 0.078 0.000 1.175 72 R HN 0.494 nan 8.270 nan 0.000 0.464 73 K N 4.072 124.502 120.400 0.050 0.000 2.174 73 K HA 0.321 4.640 4.320 -0.000 0.000 0.275 73 K C -1.410 175.130 176.600 -0.099 0.000 1.015 73 K CA -0.511 55.754 56.287 -0.036 0.000 0.933 73 K CB 0.934 33.402 32.500 -0.054 0.000 1.025 73 K HN 0.409 nan 8.250 nan 0.000 0.463 74 L N 2.998 124.052 121.223 -0.282 0.000 2.415 74 L HA 0.585 4.925 4.340 -0.000 0.000 0.256 74 L C -1.931 174.667 176.870 -0.454 0.000 1.010 74 L CA -0.656 53.970 54.840 -0.357 0.000 0.826 74 L CB 2.318 44.055 42.059 -0.537 0.000 1.405 74 L HN 0.423 nan 8.230 nan 0.000 0.410 75 V N 1.575 121.316 119.914 -0.288 0.000 2.888 75 V HA 0.352 4.472 4.120 -0.000 0.000 0.309 75 V C -1.239 174.723 176.094 -0.220 0.000 1.114 75 V CA -0.579 61.492 62.300 -0.381 0.000 0.940 75 V CB 1.857 33.243 31.823 -0.728 0.000 1.021 75 V HN 0.818 nan 8.190 nan 0.000 0.426 76 D N 2.152 122.467 120.400 -0.141 0.000 2.558 76 D HA 0.281 4.921 4.640 -0.000 0.000 0.221 76 D C 0.500 176.768 176.300 -0.052 0.000 1.143 76 D CA -0.035 53.990 54.000 0.043 0.000 1.010 76 D CB -0.040 40.907 40.800 0.245 0.000 1.068 76 D HN 0.390 nan 8.370 nan 0.000 0.511 77 F N 1.272 121.256 119.950 0.056 0.000 2.771 77 F HA 0.113 4.640 4.527 -0.001 0.000 0.299 77 F C 2.180 178.000 175.800 0.034 0.000 1.177 77 F CA 0.088 58.117 58.000 0.049 0.000 1.450 77 F CB -0.076 38.975 39.000 0.085 0.000 1.114 77 F HN 0.266 nan 8.300 nan 0.000 0.587 78 R N 0.235 120.822 120.500 0.144 0.000 2.136 78 R HA -0.278 4.061 4.340 -0.000 0.000 0.242 78 R C 2.064 178.389 176.300 0.042 0.000 1.131 78 R CA 2.071 58.197 56.100 0.044 0.000 0.937 78 R CB -0.637 29.630 30.300 -0.056 0.000 0.863 78 R HN 0.141 nan 8.270 nan 0.000 0.435 79 E N 0.820 121.051 120.200 0.051 0.000 2.265 79 E HA -0.154 4.195 4.350 -0.000 0.000 0.196 79 E C 1.637 178.283 176.600 0.078 0.000 0.996 79 E CA 0.799 57.232 56.400 0.056 0.000 0.832 79 E CB -0.097 29.640 29.700 0.062 0.000 0.756 79 E HN 0.188 nan 8.360 nan 0.000 0.491 80 L N 0.362 121.661 121.223 0.126 0.000 2.071 80 L HA 0.012 4.352 4.340 -0.000 0.000 0.201 80 L C 1.578 178.532 176.870 0.139 0.000 1.076 80 L CA 1.479 56.408 54.840 0.148 0.000 0.755 80 L CB -0.731 41.488 42.059 0.266 0.000 0.915 80 L HN 0.025 nan 8.230 nan 0.000 0.445 81 N N 0.429 119.197 118.700 0.114 0.000 2.184 81 N HA -0.244 4.496 4.740 -0.000 0.000 0.190 81 N C 1.641 177.034 175.510 -0.196 0.000 1.011 81 N CA 1.588 54.542 53.050 -0.160 0.000 0.867 81 N CB -0.277 38.024 38.487 -0.310 0.000 0.993 81 N HN 0.507 nan 8.380 nan 0.000 0.433 82 K N 0.658 121.047 120.400 -0.018 0.000 2.148 82 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 82 K C 2.013 178.723 176.600 0.183 0.000 1.050 82 K CA 0.813 57.161 56.287 0.101 0.000 0.942 82 K CB 0.039 32.585 32.500 0.076 0.000 0.724 82 K HN 0.220 nan 8.250 nan 0.000 0.446 83 R N 0.098 120.678 120.500 0.135 0.000 2.156 83 R HA 0.022 4.362 4.340 -0.000 0.000 0.207 83 R C 0.944 177.342 176.300 0.164 0.000 1.040 83 R CA 0.269 56.441 56.100 0.121 0.000 1.013 83 R CB 0.010 30.334 30.300 0.040 0.000 0.931 83 R HN -0.056 nan 8.270 nan 0.000 0.465 84 T N 2.010 116.696 114.554 0.219 0.000 2.758 84 T HA -0.077 4.273 4.350 -0.000 0.000 0.281 84 T C 0.158 175.137 174.700 0.465 0.000 0.963 84 T CA 0.130 62.419 62.100 0.316 0.000 1.201 84 T CB 0.285 69.414 68.868 0.435 0.000 0.906 84 T HN 0.159 nan 8.240 nan 0.000 0.528 85 Q N 3.358 123.342 119.800 0.305 0.000 2.624 85 Q HA -0.054 4.286 4.340 -0.000 0.000 0.256 85 Q C 0.730 176.859 176.000 0.215 0.000 1.119 85 Q CA 0.008 55.958 55.803 0.245 0.000 0.995 85 Q CB 0.398 29.208 28.738 0.120 0.000 1.318 85 Q HN 0.631 nan 8.270 nan 0.000 0.534 86 D N 2.076 122.408 120.400 -0.114 0.000 2.422 86 D HA -0.166 4.473 4.640 -0.000 0.000 0.245 86 D C 0.929 177.037 176.300 -0.321 0.000 1.102 86 D CA 0.419 54.117 54.000 -0.503 0.000 0.981 86 D CB -0.496 40.081 40.800 -0.371 0.000 0.877 86 D HN 0.494 nan 8.370 nan 0.000 0.522 87 F N 0.923 120.789 119.950 -0.140 0.000 2.236 87 F HA -0.218 4.309 4.527 -0.000 0.000 0.302 87 F C 1.804 177.568 175.800 -0.060 0.000 1.073 87 F CA 1.108 59.068 58.000 -0.068 0.000 1.336 87 F CB -0.105 38.886 39.000 -0.014 0.000 1.040 87 F HN 0.121 nan 8.300 nan 0.000 0.507 88 W N -0.192 121.026 121.300 -0.137 0.000 3.107 88 W HA 0.268 4.927 4.660 -0.000 0.000 0.293 88 W C 1.469 177.897 176.519 -0.152 0.000 1.239 88 W CA 0.587 57.806 57.345 -0.211 0.000 1.653 88 W CB -0.933 28.452 29.460 -0.125 0.000 1.068 88 W HN 0.158 nan 8.180 nan 0.000 0.615 89 E N 1.757 121.504 120.200 -0.755 0.000 2.118 89 E HA 0.008 4.358 4.350 -0.000 0.000 0.203 89 E C 1.904 178.284 176.600 -0.366 0.000 0.958 89 E CA 1.313 57.313 56.400 -0.667 0.000 0.957 89 E CB -0.495 28.607 29.700 -0.997 0.000 1.205 89 E HN -0.164 nan 8.360 nan 0.000 0.494 90 V N 1.776 121.490 119.914 -0.334 0.000 3.510 90 V HA -0.011 4.108 4.120 -0.000 0.000 0.270 90 V C 1.999 177.981 176.094 -0.187 0.000 1.201 90 V CA 1.570 63.740 62.300 -0.216 0.000 1.166 90 V CB -0.194 31.523 31.823 -0.177 0.000 0.825 90 V HN 0.357 nan 8.190 nan 0.000 0.484 91 Q N -0.116 119.544 119.800 -0.233 0.000 2.471 91 Q HA 0.219 4.558 4.340 -0.000 0.000 0.241 91 Q C 0.796 176.648 176.000 -0.248 0.000 0.886 91 Q CA 0.435 56.105 55.803 -0.223 0.000 0.953 91 Q CB 0.677 29.264 28.738 -0.251 0.000 1.108 91 Q HN 0.570 nan 8.270 nan 0.000 0.575 92 L N 1.723 122.764 121.223 -0.303 0.000 2.725 92 L HA 0.471 4.811 4.340 -0.000 0.000 0.270 92 L C 0.510 177.282 176.870 -0.164 0.000 1.422 92 L CA -0.718 53.966 54.840 -0.260 0.000 0.770 92 L CB 1.070 42.888 42.059 -0.402 0.000 1.081 92 L HN 0.153 nan 8.230 nan 0.000 0.527 93 G N 0.435 109.167 108.800 -0.113 0.000 2.518 93 G HA2 0.282 4.242 3.960 -0.000 0.000 0.284 93 G HA3 0.282 4.242 3.960 -0.000 0.000 0.284 93 G C -0.467 174.447 174.900 0.025 0.000 1.362 93 G CA 0.024 45.101 45.100 -0.039 0.000 1.065 93 G HN 0.131 nan 8.290 nan 0.000 0.561 94 I N 1.054 121.683 120.570 0.097 0.000 2.500 94 I HA 0.309 4.478 4.170 -0.000 0.000 0.286 94 I C -1.969 174.262 176.117 0.190 0.000 1.063 94 I CA -2.009 59.388 61.300 0.161 0.000 1.062 94 I CB 2.184 40.344 38.000 0.266 0.000 1.223 94 I HN 0.267 nan 8.210 nan 0.000 0.435 95 P HA 0.150 nan 4.420 nan 0.000 0.273 95 P C -0.532 176.755 177.300 -0.023 0.000 1.319 95 P CA -0.243 62.889 63.100 0.052 0.000 0.885 95 P CB -0.033 31.642 31.700 -0.042 0.000 1.015 96 H N 4.130 123.203 119.070 0.004 0.000 3.267 96 H HA -0.003 4.553 4.556 -0.000 0.000 0.239 96 H C -1.924 173.338 175.328 -0.110 0.000 0.836 96 H CA -1.607 54.408 56.048 -0.054 0.000 1.388 96 H CB -0.765 29.011 29.762 0.024 0.000 1.505 96 H HN 0.358 nan 8.280 nan 0.000 0.510 97 P HA 0.202 nan 4.420 nan 0.000 0.220 97 P C 0.877 178.079 177.300 -0.164 0.000 1.806 97 P CA -0.193 62.791 63.100 -0.192 0.000 0.976 97 P CB -0.173 31.412 31.700 -0.193 0.000 1.952 98 A N 1.641 124.398 122.820 -0.105 0.000 2.204 98 A HA -0.123 4.196 4.320 -0.000 0.000 0.220 98 A C 2.195 179.721 177.584 -0.097 0.000 1.165 98 A CA 1.740 53.724 52.037 -0.089 0.000 0.671 98 A CB -1.255 17.733 19.000 -0.020 0.000 0.792 98 A HN 0.431 nan 8.150 nan 0.000 0.473 99 G N -0.902 107.848 108.800 -0.083 0.000 2.598 99 G HA2 0.003 3.963 3.960 -0.000 0.000 0.215 99 G HA3 0.003 3.963 3.960 -0.000 0.000 0.215 99 G C 1.305 176.172 174.900 -0.055 0.000 1.131 99 G CA 0.587 45.650 45.100 -0.061 0.000 0.785 99 G HN 0.482 nan 8.290 nan 0.000 0.539 100 L N -0.282 120.900 121.223 -0.068 0.000 2.291 100 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 100 L C 2.733 179.569 176.870 -0.058 0.000 1.120 100 L CA 0.738 55.551 54.840 -0.047 0.000 0.799 100 L CB -0.081 41.953 42.059 -0.043 0.000 0.925 100 L HN 0.226 nan 8.230 nan 0.000 0.446 101 K N 0.180 120.526 120.400 -0.089 0.000 2.152 101 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 101 K C 1.878 178.448 176.600 -0.049 0.000 1.048 101 K CA 1.272 57.502 56.287 -0.094 0.000 0.933 101 K CB -0.069 32.346 32.500 -0.142 0.000 0.721 101 K HN 0.345 nan 8.250 nan 0.000 0.447 102 K N 0.923 121.298 120.400 -0.042 0.000 2.243 102 K HA 0.033 4.352 4.320 -0.000 0.000 0.201 102 K C 0.079 176.672 176.600 -0.011 0.000 1.051 102 K CA 0.216 56.488 56.287 -0.024 0.000 0.970 102 K CB 0.115 32.598 32.500 -0.028 0.000 0.755 102 K HN -0.046 nan 8.250 nan 0.000 0.465 103 K N 2.448 122.842 120.400 -0.009 0.000 2.513 103 K HA -0.110 4.210 4.320 -0.000 0.000 0.275 103 K C 0.775 177.380 176.600 0.009 0.000 1.025 103 K CA 0.517 56.801 56.287 -0.005 0.000 1.125 103 K CB 0.254 32.758 32.500 0.007 0.000 0.843 103 K HN 0.042 nan 8.250 nan 0.000 0.486 104 K N 1.491 121.871 120.400 -0.033 0.000 1.969 104 K HA -0.068 4.252 4.320 -0.000 0.000 0.216 104 K C 0.469 177.096 176.600 0.045 0.000 1.048 104 K CA 1.328 57.581 56.287 -0.057 0.000 0.948 104 K CB -0.051 32.379 32.500 -0.116 0.000 0.726 104 K HN 0.452 nan 8.250 nan 0.000 0.442 105 S N 1.063 116.745 115.700 -0.031 0.000 2.640 105 S HA 0.347 4.817 4.470 -0.000 0.000 0.320 105 S C -0.379 174.231 174.600 0.015 0.000 1.097 105 S CA -0.750 57.531 58.200 0.134 0.000 1.092 105 S CB 1.978 65.207 63.200 0.049 0.000 0.988 105 S HN -0.075 nan 8.310 nan 0.000 0.470 106 V N 2.982 122.971 119.914 0.125 0.000 2.716 106 V HA 0.633 4.753 4.120 -0.000 0.000 0.304 106 V C 0.248 176.457 176.094 0.191 0.000 1.053 106 V CA -0.480 61.901 62.300 0.135 0.000 0.984 106 V CB 1.965 33.811 31.823 0.037 0.000 1.021 106 V HN 0.846 nan 8.190 nan 0.000 0.467 107 T N 2.236 116.918 114.554 0.214 0.000 2.861 107 T HA 0.613 4.962 4.350 -0.000 0.000 0.287 107 T C -0.649 174.173 174.700 0.203 0.000 1.003 107 T CA -0.419 61.789 62.100 0.181 0.000 0.977 107 T CB 1.773 70.715 68.868 0.125 0.000 0.996 107 T HN 0.354 nan 8.240 nan 0.000 0.448 108 V N 3.608 123.652 119.914 0.216 0.000 2.547 108 V HA 0.755 4.874 4.120 -0.000 0.000 0.299 108 V C -0.819 175.411 176.094 0.227 0.000 1.040 108 V CA -0.780 61.717 62.300 0.329 0.000 0.913 108 V CB 1.683 33.734 31.823 0.380 0.000 0.992 108 V HN 0.689 nan 8.190 nan 0.000 0.449 109 L N 3.333 124.670 121.223 0.191 0.000 2.543 109 L HA 0.486 4.826 4.340 -0.000 0.000 0.265 109 L C -0.806 176.103 176.870 0.065 0.000 0.945 109 L CA -0.144 54.761 54.840 0.108 0.000 0.869 109 L CB 1.947 44.038 42.059 0.054 0.000 1.294 109 L HN 0.726 nan 8.230 nan 0.000 0.405 110 D N 3.184 123.622 120.400 0.063 0.000 2.351 110 D HA 0.342 4.981 4.640 -0.000 0.000 0.251 110 D C 0.508 176.778 176.300 -0.051 0.000 1.137 110 D CA 0.355 54.365 54.000 0.017 0.000 0.879 110 D CB 1.525 42.353 40.800 0.046 0.000 1.181 110 D HN 0.468 nan 8.370 nan 0.000 0.448 111 V N 0.975 120.810 119.914 -0.132 0.000 3.432 111 V HA 0.301 4.421 4.120 -0.000 0.000 0.290 111 V C 1.777 177.634 176.094 -0.395 0.000 1.591 111 V CA 0.418 62.604 62.300 -0.189 0.000 1.069 111 V CB 0.137 31.879 31.823 -0.134 0.000 0.892 111 V HN 0.509 nan 8.190 nan 0.000 0.436 112 G N 1.047 109.535 108.800 -0.520 0.000 2.605 112 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.222 112 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.222 112 G C 0.917 175.231 174.900 -0.976 0.000 1.092 112 G CA 1.424 45.877 45.100 -1.078 0.000 0.730 112 G HN 0.624 nan 8.290 nan 0.000 0.588 113 D N 0.010 120.081 120.400 -0.549 0.000 2.420 113 D HA 0.148 4.788 4.640 -0.000 0.000 0.233 113 D C 2.227 178.297 176.300 -0.384 0.000 1.017 113 D CA 0.935 54.699 54.000 -0.393 0.000 0.951 113 D CB -0.156 40.562 40.800 -0.138 0.000 0.877 113 D HN 0.311 nan 8.370 nan 0.000 0.528 114 A N -1.261 121.219 122.820 -0.566 0.000 2.014 114 A HA 0.043 4.363 4.320 -0.000 0.000 0.210 114 A C 1.724 178.988 177.584 -0.533 0.000 1.188 114 A CA -0.008 51.742 52.037 -0.477 0.000 0.731 114 A CB -0.629 18.066 19.000 -0.508 0.000 0.858 114 A HN 0.405 nan 8.150 nan 0.000 0.464 115 Y N -0.905 118.984 120.300 -0.685 0.000 2.181 115 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 115 Y C 1.478 177.189 175.900 -0.314 0.000 1.179 115 Y CA 0.741 58.480 58.100 -0.602 0.000 1.179 115 Y CB -0.438 37.665 38.460 -0.594 0.000 0.973 115 Y HN 0.346 nan 8.280 nan 0.000 0.519 116 F N -0.510 119.434 119.950 -0.010 0.000 2.754 116 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 116 F C 1.201 176.995 175.800 -0.010 0.000 1.234 116 F CA 0.433 58.429 58.000 -0.006 0.000 1.460 116 F CB -0.674 38.327 39.000 0.002 0.000 1.120 116 F HN -0.151 nan 8.300 nan 0.000 0.592 117 S N -0.906 114.854 115.700 0.100 0.000 2.855 117 S HA 0.281 4.751 4.470 -0.000 0.000 0.249 117 S C 0.170 174.803 174.600 0.055 0.000 1.033 117 S CA -0.134 58.105 58.200 0.064 0.000 1.038 117 S CB 0.576 63.789 63.200 0.021 0.000 0.960 117 S HN -0.066 nan 8.310 nan 0.000 0.548 118 V N 2.536 122.491 119.914 0.068 0.000 2.384 118 V HA 0.305 4.425 4.120 -0.000 0.000 0.257 118 V C -2.861 173.290 176.094 0.096 0.000 0.969 118 V CA -2.139 60.210 62.300 0.082 0.000 0.910 118 V CB 0.211 32.077 31.823 0.073 0.000 1.150 118 V HN 0.046 nan 8.190 nan 0.000 0.481 119 P HA -0.123 nan 4.420 nan 0.000 0.258 119 P C -0.308 177.050 177.300 0.096 0.000 1.136 119 P CA 0.563 63.719 63.100 0.093 0.000 0.761 119 P CB 0.239 31.987 31.700 0.080 0.000 0.724 120 L N 3.501 124.785 121.223 0.101 0.000 2.357 120 L HA 0.418 4.758 4.340 -0.000 0.000 0.273 120 L C 0.083 177.024 176.870 0.118 0.000 1.080 120 L CA -0.744 54.163 54.840 0.112 0.000 0.803 120 L CB 0.512 42.632 42.059 0.101 0.000 1.174 120 L HN 0.162 nan 8.230 nan 0.000 0.443 121 D N 2.597 123.074 120.400 0.128 0.000 2.554 121 D HA -0.111 4.529 4.640 -0.000 0.000 0.251 121 D C 1.062 177.456 176.300 0.158 0.000 1.213 121 D CA 0.820 54.896 54.000 0.127 0.000 0.900 121 D CB 0.526 41.389 40.800 0.106 0.000 1.135 121 D HN 0.769 nan 8.370 nan 0.000 0.522 122 E N 3.139 123.404 120.200 0.109 0.000 2.097 122 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 122 E C 0.976 177.632 176.600 0.094 0.000 1.000 122 E CA 1.036 57.487 56.400 0.086 0.000 0.804 122 E CB 0.038 29.773 29.700 0.058 0.000 0.740 122 E HN 0.646 nan 8.360 nan 0.000 0.454 123 D N -0.972 119.497 120.400 0.116 0.000 2.384 123 D HA -0.146 4.494 4.640 -0.000 0.000 0.222 123 D C 1.175 177.609 176.300 0.223 0.000 0.976 123 D CA 0.455 54.531 54.000 0.127 0.000 0.915 123 D CB -0.028 40.847 40.800 0.124 0.000 0.896 123 D HN 0.196 nan 8.370 nan 0.000 0.523 124 F N 0.605 120.589 119.950 0.056 0.000 2.637 124 F HA 0.234 4.761 4.527 -0.000 0.000 0.284 124 F C 2.062 177.910 175.800 0.080 0.000 1.105 124 F CA -0.058 58.018 58.000 0.126 0.000 1.356 124 F CB 0.019 39.059 39.000 0.066 0.000 1.096 124 F HN -0.265 nan 8.300 nan 0.000 0.616 125 R N 1.312 121.804 120.500 -0.013 0.000 2.198 125 R HA -0.245 4.094 4.340 -0.000 0.000 0.258 125 R C 1.771 177.964 176.300 -0.179 0.000 1.173 125 R CA 2.005 58.052 56.100 -0.089 0.000 0.991 125 R CB -0.736 29.571 30.300 0.011 0.000 0.879 125 R HN 0.396 nan 8.270 nan 0.000 0.460 126 K N -0.549 119.696 120.400 -0.258 0.000 2.589 126 K HA -0.163 4.157 4.320 -0.000 0.000 0.195 126 K C 0.438 176.802 176.600 -0.392 0.000 1.040 126 K CA 1.339 57.438 56.287 -0.312 0.000 0.950 126 K CB -0.016 32.275 32.500 -0.349 0.000 0.781 126 K HN 0.308 nan 8.250 nan 0.000 0.486 127 Y N 0.928 121.054 120.300 -0.290 0.000 2.535 127 Y HA 0.038 4.587 4.550 -0.000 0.000 0.264 127 Y C 1.954 177.754 175.900 -0.167 0.000 1.087 127 Y CA 0.478 58.376 58.100 -0.337 0.000 1.285 127 Y CB 0.307 38.320 38.460 -0.746 0.000 1.200 127 Y HN 0.161 nan 8.280 nan 0.000 0.514 128 T N -0.900 113.649 114.554 -0.009 0.000 3.320 128 T HA 0.221 4.570 4.350 -0.000 0.000 0.258 128 T C 0.904 175.787 174.700 0.305 0.000 1.176 128 T CA 0.289 62.537 62.100 0.246 0.000 1.037 128 T CB -0.780 68.302 68.868 0.356 0.000 0.958 128 T HN 0.227 nan 8.240 nan 0.000 0.545 129 A N 2.193 125.124 122.820 0.186 0.000 2.491 129 A HA 0.525 4.844 4.320 -0.000 0.000 0.261 129 A C -0.029 177.672 177.584 0.196 0.000 1.101 129 A CA -0.670 51.461 52.037 0.157 0.000 0.772 129 A CB -0.686 18.340 19.000 0.043 0.000 1.043 129 A HN 0.606 nan 8.150 nan 0.000 0.501 130 F N 0.314 120.206 119.950 -0.096 0.000 2.551 130 F HA 0.783 5.309 4.527 -0.000 0.000 0.316 130 F C -0.246 175.492 175.800 -0.103 0.000 1.089 130 F CA -1.267 56.650 58.000 -0.138 0.000 0.915 130 F CB 1.088 39.968 39.000 -0.198 0.000 1.186 130 F HN 0.219 nan 8.300 nan 0.000 0.456 131 T N 4.518 118.970 114.554 -0.170 0.000 2.779 131 T HA 0.604 4.954 4.350 -0.000 0.000 0.280 131 T C -0.091 174.499 174.700 -0.182 0.000 0.987 131 T CA -0.387 61.570 62.100 -0.239 0.000 0.966 131 T CB 1.012 69.776 68.868 -0.174 0.000 0.933 131 T HN 0.541 nan 8.240 nan 0.000 0.442 132 I N 6.251 126.712 120.570 -0.181 0.000 2.385 132 I HA 0.391 4.561 4.170 -0.000 0.000 0.294 132 I C -1.884 174.164 176.117 -0.116 0.000 0.988 132 I CA -2.279 58.952 61.300 -0.114 0.000 1.265 132 I CB 1.895 39.856 38.000 -0.064 0.000 1.388 132 I HN 0.381 nan 8.210 nan 0.000 0.480 133 P HA 0.424 nan 4.420 nan 0.000 0.307 133 P C -1.094 176.156 177.300 -0.083 0.000 1.307 133 P CA -0.606 62.438 63.100 -0.094 0.000 0.814 133 P CB 1.887 33.533 31.700 -0.089 0.000 1.311 134 S N -0.726 114.929 115.700 -0.075 0.000 2.548 134 S HA 0.526 4.996 4.470 -0.000 0.000 0.286 134 S C 0.096 174.658 174.600 -0.062 0.000 1.098 134 S CA -0.778 57.380 58.200 -0.070 0.000 0.930 134 S CB 0.488 63.648 63.200 -0.067 0.000 1.070 134 S HN 0.449 nan 8.310 nan 0.000 0.480 135 I N 1.543 122.077 120.570 -0.061 0.000 2.683 135 I HA 0.255 4.424 4.170 -0.000 0.000 0.286 135 I C 0.772 176.860 176.117 -0.048 0.000 1.175 135 I CA 0.082 61.349 61.300 -0.055 0.000 1.429 135 I CB -0.305 37.661 38.000 -0.055 0.000 1.371 135 I HN 0.836 nan 8.210 nan 0.000 0.569 136 N N 4.341 123.014 118.700 -0.044 0.000 2.713 136 N HA -0.341 4.399 4.740 -0.000 0.000 0.251 136 N C 0.025 175.511 175.510 -0.039 0.000 1.117 136 N CA 1.521 54.548 53.050 -0.038 0.000 0.770 136 N CB -1.703 36.763 38.487 -0.035 0.000 1.137 136 N HN 1.057 nan 8.380 nan 0.000 0.566 137 N N -1.076 117.597 118.700 -0.044 0.000 2.738 137 N HA -0.268 4.472 4.740 -0.000 0.000 0.249 137 N C 0.599 176.081 175.510 -0.046 0.000 1.047 137 N CA 0.894 53.916 53.050 -0.046 0.000 0.707 137 N CB -0.668 37.794 38.487 -0.041 0.000 0.937 137 N HN 0.722 nan 8.380 nan 0.000 0.545 138 E N -0.044 120.127 120.200 -0.047 0.000 2.031 138 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 138 E C 0.866 177.436 176.600 -0.051 0.000 0.994 138 E CA 1.508 57.880 56.400 -0.046 0.000 0.800 138 E CB 0.242 29.915 29.700 -0.046 0.000 0.752 138 E HN 0.362 nan 8.360 nan 0.000 0.447 139 T N 0.506 115.025 114.554 -0.058 0.000 2.932 139 T HA 0.424 4.773 4.350 -0.000 0.000 0.289 139 T C -2.633 172.023 174.700 -0.074 0.000 1.039 139 T CA -2.226 59.835 62.100 -0.066 0.000 1.024 139 T CB 1.698 70.523 68.868 -0.071 0.000 1.090 139 T HN -0.013 nan 8.240 nan 0.000 0.496 140 P HA 0.308 nan 4.420 nan 0.000 0.274 140 P C 0.366 177.601 177.300 -0.108 0.000 1.246 140 P CA -0.235 62.812 63.100 -0.088 0.000 0.795 140 P CB 0.090 31.737 31.700 -0.088 0.000 1.006 141 G N 1.546 110.277 108.800 -0.114 0.000 2.138 141 G HA2 0.070 4.029 3.960 -0.000 0.000 0.244 141 G HA3 0.070 4.029 3.960 -0.000 0.000 0.244 141 G C 0.238 175.029 174.900 -0.181 0.000 1.166 141 G CA -0.357 44.659 45.100 -0.139 0.000 0.902 141 G HN 0.445 nan 8.290 nan 0.000 0.460 142 I N 3.705 124.158 120.570 -0.195 0.000 2.291 142 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 142 I C 1.018 176.905 176.117 -0.384 0.000 1.064 142 I CA -0.321 60.813 61.300 -0.277 0.000 1.269 142 I CB 0.400 38.278 38.000 -0.203 0.000 1.418 142 I HN 0.469 nan 8.210 nan 0.000 0.485 143 R N 5.468 125.681 120.500 -0.478 0.000 2.541 143 R HA 0.700 5.039 4.340 -0.000 0.000 0.263 143 R C -1.284 174.545 176.300 -0.785 0.000 1.112 143 R CA -0.572 55.216 56.100 -0.520 0.000 1.170 143 R CB 0.998 31.079 30.300 -0.364 0.000 1.167 143 R HN 0.367 nan 8.270 nan 0.000 0.582 144 Y N -1.473 118.459 120.300 -0.613 0.000 2.750 144 Y HA 0.230 4.779 4.550 -0.000 0.000 0.335 144 Y C -0.457 175.261 175.900 -0.303 0.000 1.252 144 Y CA -0.822 56.971 58.100 -0.512 0.000 1.064 144 Y CB 2.035 40.054 38.460 -0.736 0.000 1.321 144 Y HN 0.430 nan 8.280 nan 0.000 0.451 145 Q N -0.234 119.598 119.800 0.053 0.000 2.544 145 Q HA 0.486 4.825 4.340 -0.000 0.000 0.291 145 Q C -1.986 174.029 176.000 0.026 0.000 1.068 145 Q CA -1.153 54.684 55.803 0.057 0.000 0.785 145 Q CB 3.424 32.170 28.738 0.013 0.000 1.481 145 Q HN 0.672 nan 8.270 nan 0.000 0.430 146 Y N 0.906 121.265 120.300 0.097 0.000 2.341 146 Y HA 0.293 4.843 4.550 -0.000 0.000 0.337 146 Y C 0.810 176.723 175.900 0.022 0.000 1.014 146 Y CA -0.342 57.789 58.100 0.052 0.000 1.111 146 Y CB 1.240 39.711 38.460 0.018 0.000 1.194 146 Y HN 0.640 nan 8.280 nan 0.000 0.462 147 N N 1.501 120.354 118.700 0.254 0.000 2.499 147 N HA -0.003 4.737 4.740 -0.000 0.000 0.182 147 N C 0.526 176.124 175.510 0.147 0.000 1.034 147 N CA 0.682 53.823 53.050 0.151 0.000 0.882 147 N CB 0.340 38.891 38.487 0.108 0.000 1.125 147 N HN 0.411 nan 8.380 nan 0.000 0.436 148 V N -0.237 119.786 119.914 0.182 0.000 3.743 148 V HA 0.380 4.500 4.120 -0.000 0.000 0.274 148 V C 0.673 176.835 176.094 0.113 0.000 1.001 148 V CA -0.835 61.563 62.300 0.164 0.000 0.890 148 V CB -0.002 31.953 31.823 0.221 0.000 1.225 148 V HN -0.073 nan 8.190 nan 0.000 0.411 149 L N 2.698 123.988 121.223 0.112 0.000 2.313 149 L HA 0.389 4.729 4.340 -0.000 0.000 0.282 149 L C -2.205 174.595 176.870 -0.117 0.000 1.092 149 L CA -1.521 53.307 54.840 -0.021 0.000 0.831 149 L CB 1.339 43.349 42.059 -0.081 0.000 1.159 149 L HN 0.550 nan 8.230 nan 0.000 0.442 150 P HA 0.070 nan 4.420 nan 0.000 0.280 150 P C -0.760 176.372 177.300 -0.280 0.000 1.300 150 P CA -0.377 62.328 63.100 -0.658 0.000 0.785 150 P CB 0.685 31.799 31.700 -0.977 0.000 0.874 151 Q N 1.858 121.629 119.800 -0.048 0.000 2.414 151 Q HA 0.195 4.534 4.340 -0.000 0.000 0.288 151 Q C 1.271 177.325 176.000 0.090 0.000 1.086 151 Q CA 1.039 56.873 55.803 0.052 0.000 0.943 151 Q CB -0.112 28.666 28.738 0.066 0.000 1.282 151 Q HN 0.800 nan 8.270 nan 0.000 0.438 152 G N 0.935 109.804 108.800 0.115 0.000 2.221 152 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.265 152 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.265 152 G C -0.948 174.011 174.900 0.098 0.000 1.041 152 G CA 0.412 45.614 45.100 0.170 0.000 0.807 152 G HN 0.597 nan 8.290 nan 0.000 0.502 153 W N -0.527 120.556 121.300 -0.361 0.000 2.902 153 W HA 0.761 5.420 4.660 -0.000 0.000 0.346 153 W C 0.692 176.991 176.519 -0.365 0.000 1.139 153 W CA -1.478 55.560 57.345 -0.511 0.000 1.139 153 W CB 0.838 29.809 29.460 -0.814 0.000 1.439 153 W HN -0.171 nan 8.180 nan 0.000 0.558 154 K N 1.323 121.063 120.400 -1.100 0.000 1.984 154 K HA -0.007 4.312 4.320 -0.000 0.000 0.209 154 K C 1.861 177.859 176.600 -1.003 0.000 1.046 154 K CA 1.927 57.617 56.287 -0.994 0.000 0.934 154 K CB -1.041 30.829 32.500 -1.049 0.000 0.717 154 K HN 0.786 nan 8.250 nan 0.000 0.438 155 G N 0.364 108.081 108.800 -1.803 0.000 2.448 155 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 155 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 155 G C 1.600 176.003 174.900 -0.829 0.000 1.135 155 G CA 0.943 45.392 45.100 -1.085 0.000 0.784 155 G HN 0.339 nan 8.290 nan 0.000 0.543 156 S N 1.261 116.425 115.700 -0.894 0.000 2.392 156 S HA -0.101 4.369 4.470 -0.000 0.000 0.232 156 S C 0.713 174.738 174.600 -0.958 0.000 1.041 156 S CA 1.979 59.857 58.200 -0.537 0.000 1.026 156 S CB -0.411 62.549 63.200 -0.401 0.000 0.845 156 S HN 0.437 nan 8.310 nan 0.000 0.465 157 P HA 0.280 nan 4.420 nan 0.000 0.218 157 P C 1.503 178.758 177.300 -0.075 0.000 1.147 157 P CA 1.220 64.182 63.100 -0.230 0.000 0.863 157 P CB -0.255 31.385 31.700 -0.100 0.000 0.812 158 A N 1.178 123.911 122.820 -0.145 0.000 1.869 158 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 158 A C 2.361 179.927 177.584 -0.030 0.000 1.203 158 A CA 2.168 54.148 52.037 -0.094 0.000 0.638 158 A CB -1.844 17.071 19.000 -0.142 0.000 0.831 158 A HN 0.125 nan 8.150 nan 0.000 0.450 159 I N -2.174 118.421 120.570 0.043 0.000 2.361 159 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 159 I C 2.332 178.535 176.117 0.143 0.000 1.133 159 I CA 1.485 62.858 61.300 0.122 0.000 1.413 159 I CB -0.319 37.788 38.000 0.178 0.000 1.073 159 I HN 0.434 nan 8.210 nan 0.000 0.424 160 F N 1.813 121.758 119.950 -0.008 0.000 2.335 160 F HA -0.139 4.388 4.527 -0.001 0.000 0.296 160 F C 2.638 178.481 175.800 0.071 0.000 1.091 160 F CA 1.155 59.196 58.000 0.068 0.000 1.399 160 F CB -0.539 38.574 39.000 0.187 0.000 1.067 160 F HN 0.042 nan 8.300 nan 0.000 0.520 161 Q N 0.761 120.496 119.800 -0.108 0.000 2.224 161 Q HA -0.246 4.094 4.340 -0.000 0.000 0.213 161 Q C 1.973 177.817 176.000 -0.259 0.000 0.998 161 Q CA 2.460 58.139 55.803 -0.206 0.000 0.895 161 Q CB -0.696 27.995 28.738 -0.078 0.000 0.926 161 Q HN 0.477 nan 8.270 nan 0.000 0.417 162 S N 0.393 115.985 115.700 -0.181 0.000 2.351 162 S HA -0.148 4.322 4.470 -0.000 0.000 0.220 162 S C 1.938 176.434 174.600 -0.174 0.000 1.035 162 S CA 1.609 59.731 58.200 -0.130 0.000 1.031 162 S CB -0.547 62.615 63.200 -0.063 0.000 0.928 162 S HN 0.584 nan 8.310 nan 0.000 0.433 163 S N 0.395 115.949 115.700 -0.244 0.000 2.474 163 S HA -0.060 4.409 4.470 -0.000 0.000 0.235 163 S C 1.729 176.114 174.600 -0.358 0.000 0.997 163 S CA 1.005 59.080 58.200 -0.208 0.000 0.949 163 S CB -0.330 62.818 63.200 -0.087 0.000 0.766 163 S HN 0.364 nan 8.310 nan 0.000 0.517 164 M N 2.315 121.517 119.600 -0.663 0.000 2.062 164 M HA -0.064 4.415 4.480 -0.000 0.000 0.259 164 M C 2.299 178.476 176.300 -0.205 0.000 1.076 164 M CA 2.783 57.762 55.300 -0.536 0.000 1.122 164 M CB -1.608 30.670 32.600 -0.536 0.000 1.312 164 M HN 0.412 nan 8.290 nan 0.000 0.412 165 T N -1.215 113.243 114.554 -0.160 0.000 2.680 165 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 165 T C 1.774 176.446 174.700 -0.046 0.000 1.033 165 T CA 2.121 64.174 62.100 -0.078 0.000 1.152 165 T CB -0.912 67.921 68.868 -0.058 0.000 0.859 165 T HN 0.570 nan 8.240 nan 0.000 0.452 166 K N 0.610 120.995 120.400 -0.025 0.000 2.362 166 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 166 K C 1.997 178.660 176.600 0.105 0.000 1.046 166 K CA 0.904 57.222 56.287 0.053 0.000 0.952 166 K CB -0.227 32.324 32.500 0.085 0.000 0.753 166 K HN 0.480 nan 8.250 nan 0.000 0.466 167 I N 0.530 121.124 120.570 0.040 0.000 3.603 167 I HA -0.107 4.063 4.170 -0.000 0.000 0.297 167 I C 1.645 177.517 176.117 -0.407 0.000 1.269 167 I CA 0.439 61.663 61.300 -0.125 0.000 1.361 167 I CB 0.135 38.227 38.000 0.154 0.000 1.063 167 I HN 0.063 nan 8.210 nan 0.000 0.448 168 L N 0.429 121.553 121.223 -0.165 0.000 2.202 168 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 168 L C 2.469 179.303 176.870 -0.060 0.000 1.083 168 L CA 0.646 55.429 54.840 -0.095 0.000 0.790 168 L CB -0.620 41.410 42.059 -0.049 0.000 0.942 168 L HN 0.253 nan 8.230 nan 0.000 0.452 169 E N 1.002 121.173 120.200 -0.049 0.000 2.172 169 E HA -0.279 4.071 4.350 -0.000 0.000 0.213 169 E C -0.817 175.774 176.600 -0.015 0.000 1.051 169 E CA 1.678 58.070 56.400 -0.014 0.000 0.860 169 E CB -1.935 27.777 29.700 0.019 0.000 0.755 169 E HN 0.371 nan 8.360 nan 0.000 0.462 170 P HA -0.108 nan 4.420 nan 0.000 0.217 170 P C 0.925 178.149 177.300 -0.126 0.000 1.150 170 P CA 1.073 64.163 63.100 -0.016 0.000 0.832 170 P CB -0.045 31.728 31.700 0.123 0.000 0.787 171 F N -0.627 119.092 119.950 -0.385 0.000 2.717 171 F HA 0.271 4.797 4.527 -0.001 0.000 0.297 171 F C 1.781 177.460 175.800 -0.201 0.000 1.113 171 F CA 0.299 58.064 58.000 -0.392 0.000 1.319 171 F CB 0.214 38.834 39.000 -0.634 0.000 1.097 171 F HN -0.319 nan 8.300 nan 0.000 0.595 172 K N -0.099 120.356 120.400 0.092 0.000 2.426 172 K HA -0.037 4.283 4.320 -0.000 0.000 0.193 172 K C 1.531 178.137 176.600 0.011 0.000 1.028 172 K CA 0.583 56.913 56.287 0.070 0.000 1.047 172 K CB 0.252 32.775 32.500 0.037 0.000 0.821 172 K HN 0.001 nan 8.250 nan 0.000 0.513 173 K N 0.411 120.795 120.400 -0.027 0.000 2.412 173 K HA 0.011 4.330 4.320 -0.000 0.000 0.202 173 K C 1.060 177.616 176.600 -0.073 0.000 1.102 173 K CA 0.284 56.548 56.287 -0.038 0.000 1.027 173 K CB 0.634 33.120 32.500 -0.024 0.000 0.931 173 K HN 0.138 nan 8.250 nan 0.000 0.557 174 Q N -0.901 118.820 119.800 -0.132 0.000 2.247 174 Q HA 0.302 4.641 4.340 -0.000 0.000 0.204 174 Q C -0.348 175.508 176.000 -0.239 0.000 0.872 174 Q CA 0.373 56.064 55.803 -0.187 0.000 0.951 174 Q CB 0.227 28.816 28.738 -0.248 0.000 1.099 174 Q HN 0.115 nan 8.270 nan 0.000 0.501 175 N N -0.642 117.949 118.700 -0.181 0.000 2.471 175 N HA 0.201 4.941 4.740 -0.000 0.000 0.264 175 N C -2.455 173.037 175.510 -0.029 0.000 1.493 175 N CA -0.683 52.285 53.050 -0.136 0.000 0.932 175 N CB 0.943 39.293 38.487 -0.228 0.000 1.405 175 N HN 0.001 nan 8.380 nan 0.000 0.505 176 P HA -0.164 nan 4.420 nan 0.000 0.224 176 P C 0.806 178.109 177.300 0.005 0.000 1.142 176 P CA 1.060 64.158 63.100 -0.003 0.000 0.778 176 P CB 0.054 31.745 31.700 -0.014 0.000 0.764 177 D N -0.489 119.912 120.400 0.001 0.000 2.178 177 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 177 D C 0.861 177.174 176.300 0.023 0.000 0.980 177 D CA 0.713 54.716 54.000 0.005 0.000 0.842 177 D CB -0.562 40.237 40.800 -0.001 0.000 0.948 177 D HN 0.205 nan 8.370 nan 0.000 0.472 178 I N 1.031 121.630 120.570 0.048 0.000 2.662 178 I HA 0.076 4.245 4.170 -0.000 0.000 0.291 178 I C -0.010 176.148 176.117 0.068 0.000 1.046 178 I CA -0.736 60.608 61.300 0.074 0.000 1.361 178 I CB 1.944 40.021 38.000 0.129 0.000 1.429 178 I HN -0.245 nan 8.210 nan 0.000 0.558 179 V N 6.900 126.857 119.914 0.072 0.000 2.347 179 V HA 0.374 4.494 4.120 -0.000 0.000 0.280 179 V C 0.035 176.200 176.094 0.118 0.000 1.021 179 V CA -0.394 61.948 62.300 0.071 0.000 0.847 179 V CB 1.334 33.182 31.823 0.042 0.000 0.990 179 V HN 0.442 nan 8.190 nan 0.000 0.444 180 I N 5.603 126.247 120.570 0.123 0.000 2.330 180 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 180 I C -1.069 175.177 176.117 0.215 0.000 1.001 180 I CA -0.534 60.855 61.300 0.149 0.000 1.193 180 I CB 1.136 39.189 38.000 0.088 0.000 1.345 180 I HN 0.570 nan 8.210 nan 0.000 0.461 181 Y N 6.680 127.036 120.300 0.093 0.000 2.429 181 Y HA 0.420 4.970 4.550 -0.000 0.000 0.342 181 Y C -0.570 175.305 175.900 -0.042 0.000 1.004 181 Y CA -0.886 57.257 58.100 0.071 0.000 1.075 181 Y CB 1.593 40.157 38.460 0.173 0.000 1.214 181 Y HN 0.477 nan 8.280 nan 0.000 0.455 182 Q N 5.353 124.839 119.800 -0.524 0.000 2.325 182 Q HA 0.318 4.657 4.340 -0.000 0.000 0.270 182 Q C -2.314 173.257 176.000 -0.715 0.000 1.020 182 Q CA -0.804 54.689 55.803 -0.516 0.000 0.785 182 Q CB 1.414 30.022 28.738 -0.217 0.000 1.259 182 Q HN 0.745 nan 8.270 nan 0.000 0.452 183 Y N 5.202 125.030 120.300 -0.787 0.000 2.350 183 Y HA 0.298 4.848 4.550 -0.000 0.000 0.338 183 Y C 0.472 176.203 175.900 -0.282 0.000 0.961 183 Y CA -0.448 57.313 58.100 -0.565 0.000 1.100 183 Y CB 1.138 39.271 38.460 -0.545 0.000 1.179 183 Y HN 1.032 nan 8.280 nan 0.000 0.454 184 M N 2.496 121.689 119.600 -0.678 0.000 7.319 184 M HA -0.465 4.015 4.480 -0.000 0.000 0.287 184 M C 0.526 176.786 176.300 -0.067 0.000 0.480 184 M CA 3.025 58.075 55.300 -0.417 0.000 1.311 184 M CB -1.272 31.061 32.600 -0.445 0.000 0.421 184 M HN 0.795 nan 8.290 nan 0.000 0.485 185 D N -1.256 119.135 120.400 -0.014 0.000 2.514 185 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 185 D C -0.190 176.064 176.300 -0.077 0.000 1.036 185 D CA 0.463 54.458 54.000 -0.009 0.000 0.911 185 D CB 0.051 40.871 40.800 0.034 0.000 1.145 185 D HN 0.415 nan 8.370 nan 0.000 0.495 186 D N 0.765 121.152 120.400 -0.021 0.000 2.372 186 D HA 0.255 4.895 4.640 -0.000 0.000 0.243 186 D C -0.422 175.720 176.300 -0.264 0.000 1.121 186 D CA -0.135 53.836 54.000 -0.047 0.000 0.898 186 D CB 1.546 42.424 40.800 0.130 0.000 1.202 186 D HN -0.043 nan 8.370 nan 0.000 0.428 187 L N 2.281 123.399 121.223 -0.175 0.000 2.346 187 L HA 0.357 4.696 4.340 -0.000 0.000 0.276 187 L C -1.448 175.424 176.870 0.004 0.000 1.006 187 L CA -0.675 54.048 54.840 -0.194 0.000 0.817 187 L CB 1.265 43.277 42.059 -0.078 0.000 1.272 187 L HN 0.302 nan 8.230 nan 0.000 0.421 188 Y N 4.053 124.405 120.300 0.088 0.000 2.335 188 Y HA 0.612 5.162 4.550 -0.000 0.000 0.338 188 Y C -0.289 175.681 175.900 0.117 0.000 0.977 188 Y CA -1.323 56.852 58.100 0.125 0.000 1.114 188 Y CB 1.973 40.545 38.460 0.187 0.000 1.182 188 Y HN 0.174 nan 8.280 nan 0.000 0.463 189 V N 3.496 123.571 119.914 0.269 0.000 2.320 189 V HA 0.372 4.492 4.120 -0.000 0.000 0.268 189 V C 0.249 176.470 176.094 0.212 0.000 1.021 189 V CA -0.669 61.748 62.300 0.195 0.000 0.813 189 V CB 1.010 32.912 31.823 0.132 0.000 1.054 189 V HN 0.964 nan 8.190 nan 0.000 0.444 190 G N 2.670 111.571 108.800 0.169 0.000 2.338 190 G HA2 0.615 4.574 3.960 -0.000 0.000 0.298 190 G HA3 0.615 4.574 3.960 -0.000 0.000 0.298 190 G C 0.136 175.079 174.900 0.072 0.000 1.140 190 G CA 0.439 45.605 45.100 0.110 0.000 0.860 190 G HN 0.769 nan 8.290 nan 0.000 0.470 191 S N 0.497 116.193 115.700 -0.007 0.000 3.331 191 S HA 0.587 5.057 4.470 -0.000 0.000 0.316 191 S C -0.234 174.289 174.600 -0.128 0.000 1.104 191 S CA -0.510 57.666 58.200 -0.041 0.000 0.977 191 S CB 1.941 65.155 63.200 0.023 0.000 1.370 191 S HN 0.320 nan 8.310 nan 0.000 0.731 192 D N -0.430 119.897 120.400 -0.122 0.000 2.449 192 D HA 0.326 4.966 4.640 -0.000 0.000 0.255 192 D C 0.458 176.692 176.300 -0.110 0.000 1.121 192 D CA -0.133 53.798 54.000 -0.114 0.000 0.830 192 D CB 0.314 41.079 40.800 -0.057 0.000 1.280 192 D HN 0.311 nan 8.370 nan 0.000 0.522 193 L N 1.637 122.813 121.223 -0.078 0.000 2.498 193 L HA -0.073 4.267 4.340 -0.000 0.000 0.293 193 L C 1.020 177.901 176.870 0.017 0.000 1.271 193 L CA 0.435 55.279 54.840 0.006 0.000 0.831 193 L CB 0.497 42.621 42.059 0.108 0.000 1.091 193 L HN -0.071 nan 8.230 nan 0.000 0.535 194 E N 1.072 121.304 120.200 0.052 0.000 2.391 194 E HA -0.017 4.333 4.350 -0.000 0.000 0.255 194 E C 0.576 177.252 176.600 0.127 0.000 1.187 194 E CA -0.063 56.371 56.400 0.056 0.000 0.941 194 E CB 0.720 30.442 29.700 0.036 0.000 1.010 194 E HN 0.381 nan 8.360 nan 0.000 0.458 195 I N 1.710 122.347 120.570 0.111 0.000 2.614 195 I HA 0.004 4.174 4.170 -0.000 0.000 0.258 195 I C 1.590 177.758 176.117 0.086 0.000 1.189 195 I CA 1.871 63.250 61.300 0.133 0.000 1.462 195 I CB -0.510 37.555 38.000 0.109 0.000 1.092 195 I HN 0.642 nan 8.210 nan 0.000 0.442 196 G N -0.885 107.954 108.800 0.066 0.000 2.403 196 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 196 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 196 G C 1.436 176.363 174.900 0.045 0.000 1.154 196 G CA 0.542 45.669 45.100 0.044 0.000 0.784 196 G HN 0.382 nan 8.290 nan 0.000 0.538 197 Q N -0.638 119.202 119.800 0.066 0.000 2.123 197 Q HA 0.124 4.463 4.340 -0.000 0.000 0.193 197 Q C 2.138 178.194 176.000 0.094 0.000 0.981 197 Q CA 1.114 56.959 55.803 0.069 0.000 0.833 197 Q CB -0.962 27.818 28.738 0.070 0.000 0.914 197 Q HN 0.560 nan 8.270 nan 0.000 0.484 198 H N 1.088 120.180 119.070 0.037 0.000 2.368 198 H HA -0.204 4.352 4.556 -0.001 0.000 0.292 198 H C 1.962 177.319 175.328 0.048 0.000 1.117 198 H CA 2.398 58.476 56.048 0.050 0.000 1.231 198 H CB 0.110 29.905 29.762 0.055 0.000 1.359 198 H HN 0.130 nan 8.280 nan 0.000 0.490 199 R N -0.834 119.573 120.500 -0.155 0.000 2.073 199 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 199 R C 1.880 178.101 176.300 -0.132 0.000 1.120 199 R CA 1.658 57.628 56.100 -0.216 0.000 0.967 199 R CB -0.151 30.093 30.300 -0.093 0.000 0.862 199 R HN 0.402 nan 8.270 nan 0.000 0.436 200 T N 0.999 115.521 114.554 -0.054 0.000 2.929 200 T HA -0.110 4.240 4.350 -0.000 0.000 0.271 200 T C 1.560 176.258 174.700 -0.004 0.000 1.085 200 T CA 1.173 63.260 62.100 -0.023 0.000 1.125 200 T CB -0.009 68.862 68.868 0.004 0.000 0.874 200 T HN 0.286 nan 8.240 nan 0.000 0.494 201 K N 0.747 121.148 120.400 0.001 0.000 2.098 201 K HA 0.057 4.377 4.320 -0.000 0.000 0.203 201 K C 2.096 178.715 176.600 0.033 0.000 1.051 201 K CA 0.468 56.801 56.287 0.076 0.000 0.957 201 K CB -0.038 32.548 32.500 0.144 0.000 0.738 201 K HN 0.142 nan 8.250 nan 0.000 0.447 202 I N 2.371 122.892 120.570 -0.081 0.000 2.399 202 I HA -0.256 3.914 4.170 -0.000 0.000 0.254 202 I C 2.230 178.285 176.117 -0.103 0.000 1.146 202 I CA 1.461 62.687 61.300 -0.123 0.000 1.412 202 I CB -0.851 37.042 38.000 -0.179 0.000 1.076 202 I HN 0.424 nan 8.210 nan 0.000 0.432 203 E N 0.874 121.031 120.200 -0.071 0.000 2.427 203 E HA -0.162 4.187 4.350 -0.000 0.000 0.196 203 E C 1.605 178.200 176.600 -0.008 0.000 1.028 203 E CA 0.563 56.935 56.400 -0.046 0.000 0.864 203 E CB 0.314 29.990 29.700 -0.040 0.000 0.813 203 E HN 0.575 nan 8.360 nan 0.000 0.514 204 E N 0.139 120.353 120.200 0.024 0.000 2.127 204 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 204 E C 1.931 178.543 176.600 0.019 0.000 0.964 204 E CA 0.082 56.544 56.400 0.103 0.000 0.832 204 E CB -0.025 29.828 29.700 0.255 0.000 0.790 204 E HN 0.121 nan 8.360 nan 0.000 0.465 205 L N 1.828 122.907 121.223 -0.241 0.000 2.549 205 L HA -0.118 4.221 4.340 -0.000 0.000 0.230 205 L C 1.784 178.523 176.870 -0.219 0.000 1.162 205 L CA 1.333 55.815 54.840 -0.596 0.000 0.834 205 L CB -0.248 41.349 42.059 -0.771 0.000 0.947 205 L HN -0.022 nan 8.230 nan 0.000 0.452 206 R N -1.457 118.985 120.500 -0.096 0.000 2.052 206 R HA 0.003 4.343 4.340 -0.000 0.000 0.224 206 R C 1.954 178.269 176.300 0.025 0.000 1.149 206 R CA 0.867 56.946 56.100 -0.035 0.000 0.962 206 R CB -0.513 29.770 30.300 -0.028 0.000 0.856 206 R HN 0.332 nan 8.270 nan 0.000 0.433 207 Q N 0.315 120.147 119.800 0.053 0.000 2.308 207 Q HA -0.213 4.127 4.340 -0.000 0.000 0.209 207 Q C 1.724 177.813 176.000 0.149 0.000 0.985 207 Q CA 1.611 57.471 55.803 0.094 0.000 0.881 207 Q CB -0.412 28.387 28.738 0.101 0.000 0.917 207 Q HN 0.490 nan 8.270 nan 0.000 0.443 208 H N 0.032 119.116 119.070 0.022 0.000 2.355 208 H HA 0.121 4.676 4.556 -0.000 0.000 0.303 208 H C 1.817 177.161 175.328 0.027 0.000 1.061 208 H CA 0.988 57.040 56.048 0.006 0.000 1.368 208 H CB 0.038 29.737 29.762 -0.106 0.000 1.412 208 H HN 0.099 nan 8.280 nan 0.000 0.523 209 L N 0.426 121.664 121.223 0.024 0.000 2.313 209 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 209 L C 1.943 178.869 176.870 0.093 0.000 1.119 209 L CA 0.536 55.396 54.840 0.034 0.000 0.809 209 L CB -0.249 41.811 42.059 0.002 0.000 0.933 209 L HN 0.340 nan 8.230 nan 0.000 0.449 210 L N -2.522 118.748 121.223 0.078 0.000 2.209 210 L HA 0.075 4.415 4.340 -0.000 0.000 0.207 210 L C 1.916 178.838 176.870 0.088 0.000 1.094 210 L CA 1.268 56.149 54.840 0.068 0.000 0.790 210 L CB -0.502 41.585 42.059 0.047 0.000 0.932 210 L HN -0.085 nan 8.230 nan 0.000 0.447 211 R N -1.102 119.473 120.500 0.125 0.000 2.555 211 R HA 0.129 4.469 4.340 -0.000 0.000 0.272 211 R C -0.267 176.130 176.300 0.162 0.000 1.089 211 R CA 0.059 56.231 56.100 0.121 0.000 1.126 211 R CB -0.722 29.657 30.300 0.133 0.000 1.250 211 R HN 0.556 nan 8.270 nan 0.000 0.551 212 W N -1.300 119.952 121.300 -0.081 0.000 1.762 212 W HA 0.282 4.942 4.660 -0.000 0.000 0.260 212 W C 1.114 177.614 176.519 -0.032 0.000 0.846 212 W CA 0.410 57.700 57.345 -0.090 0.000 1.326 212 W CB 0.899 30.248 29.460 -0.186 0.000 1.010 212 W HN 0.316 nan 8.180 nan 0.000 0.482 213 G N 0.457 109.326 108.800 0.115 0.000 3.597 213 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.202 213 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.202 213 G C 0.331 175.266 174.900 0.058 0.000 1.702 213 G CA -0.260 44.885 45.100 0.074 0.000 1.354 213 G HN 0.012 nan 8.290 nan 0.000 0.609 214 L N 1.759 123.024 121.223 0.071 0.000 2.517 214 L HA 0.442 4.782 4.340 -0.000 0.000 0.294 214 L C 0.539 177.413 176.870 0.006 0.000 1.264 214 L CA 0.919 55.767 54.840 0.013 0.000 0.839 214 L CB -0.245 41.826 42.059 0.019 0.000 1.098 214 L HN 0.482 nan 8.230 nan 0.000 0.525 215 T N -0.363 114.178 114.554 -0.021 0.000 2.853 215 T HA 0.600 4.950 4.350 -0.000 0.000 0.311 215 T C -0.729 173.958 174.700 -0.022 0.000 1.307 215 T CA -0.631 61.464 62.100 -0.010 0.000 1.019 215 T CB 2.242 71.112 68.868 0.003 0.000 1.264 215 T HN 0.702 nan 8.240 nan 0.000 0.497 216 T N 2.838 117.386 114.554 -0.010 0.000 3.012 216 T HA 0.621 4.971 4.350 -0.000 0.000 0.330 216 T C -2.588 172.115 174.700 0.005 0.000 1.321 216 T CA -0.884 61.212 62.100 -0.006 0.000 1.067 216 T CB 1.821 70.683 68.868 -0.011 0.000 1.235 216 T HN 0.597 nan 8.240 nan 0.000 0.479 232 Y N 0.577 120.893 120.300 0.027 0.000 2.503 232 Y HA 0.179 4.729 4.550 -0.001 0.000 0.278 232 Y C 1.655 177.567 175.900 0.019 0.000 1.111 232 Y CA 0.253 58.369 58.100 0.027 0.000 1.270 232 Y CB 0.295 38.773 38.460 0.031 0.000 1.063 232 Y HN 0.465 nan 8.280 nan 0.000 0.548 233 E N 0.893 121.197 120.200 0.174 0.000 2.622 233 E HA 0.449 4.799 4.350 -0.000 0.000 0.255 233 E C -0.665 175.839 176.600 -0.160 0.000 1.313 233 E CA -0.301 56.135 56.400 0.061 0.000 1.011 233 E CB 1.248 31.037 29.700 0.148 0.000 1.173 233 E HN 0.123 nan 8.360 nan 0.000 0.601 234 L N -0.027 120.982 121.223 -0.357 0.000 2.518 234 L HA 0.299 4.638 4.340 -0.000 0.000 0.257 234 L C -0.918 175.551 176.870 -0.668 0.000 0.980 234 L CA -0.624 53.922 54.840 -0.490 0.000 0.837 234 L CB 2.129 44.081 42.059 -0.177 0.000 1.410 234 L HN 0.554 nan 8.230 nan 0.000 0.410 235 H N 0.176 119.280 119.070 0.056 0.000 2.946 235 H HA 0.148 4.704 4.556 -0.000 0.000 0.217 235 H C -2.407 172.977 175.328 0.093 0.000 1.393 235 H CA -1.275 54.803 56.048 0.049 0.000 1.306 235 H CB 0.541 30.327 29.762 0.040 0.000 2.062 235 H HN 0.261 nan 8.280 nan 0.000 0.520 236 P HA -0.220 nan 4.420 nan 0.000 0.218 236 P C 1.482 178.889 177.300 0.178 0.000 1.152 236 P CA 1.848 65.058 63.100 0.182 0.000 0.857 236 P CB 0.428 32.191 31.700 0.105 0.000 0.787 237 D N -0.773 119.695 120.400 0.114 0.000 2.224 237 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 237 D C 1.635 178.011 176.300 0.126 0.000 0.965 237 D CA 0.823 54.869 54.000 0.078 0.000 0.852 237 D CB -0.444 40.373 40.800 0.027 0.000 0.947 237 D HN -0.013 nan 8.370 nan 0.000 0.494 238 K N -0.914 119.590 120.400 0.174 0.000 2.616 238 K HA -0.059 4.261 4.320 -0.000 0.000 0.192 238 K C -0.710 176.049 176.600 0.265 0.000 1.031 238 K CA -0.016 56.375 56.287 0.173 0.000 1.004 238 K CB 0.003 32.604 32.500 0.169 0.000 0.810 238 K HN 0.186 nan 8.250 nan 0.000 0.497 239 W N 0.766 122.094 121.300 0.046 0.000 2.756 239 W HA 0.263 4.923 4.660 -0.000 0.000 0.333 239 W C -1.353 175.177 176.519 0.018 0.000 1.025 239 W CA -0.930 56.436 57.345 0.035 0.000 1.246 239 W CB 0.898 30.384 29.460 0.043 0.000 1.358 239 W HN -0.272 nan 8.180 nan 0.000 0.444 240 T N 5.100 119.739 114.554 0.140 0.000 2.851 240 T HA 0.252 4.601 4.350 -0.000 0.000 0.298 240 T C 0.289 174.806 174.700 -0.306 0.000 0.977 240 T CA -0.297 61.766 62.100 -0.061 0.000 1.126 240 T CB 0.520 69.412 68.868 0.039 0.000 0.916 240 T HN 0.431 nan 8.240 nan 0.000 0.529 241 V N 3.094 122.843 119.914 -0.275 0.000 2.493 241 V HA 0.142 4.262 4.120 -0.000 0.000 0.292 241 V C 0.510 176.509 176.094 -0.158 0.000 1.016 241 V CA -0.647 61.474 62.300 -0.299 0.000 1.097 241 V CB 0.000 31.737 31.823 -0.144 0.000 0.947 241 V HN 0.901 nan 8.190 nan 0.000 0.479 242 Q N 6.161 125.867 119.800 -0.157 0.000 2.286 242 Q HA 0.301 4.641 4.340 -0.000 0.000 0.265 242 Q C -2.117 173.899 176.000 0.027 0.000 1.080 242 Q CA -1.399 54.390 55.803 -0.023 0.000 0.906 242 Q CB 0.668 29.421 28.738 0.024 0.000 1.227 242 Q HN 0.756 nan 8.270 nan 0.000 0.409 243 P HA -0.049 nan 4.420 nan 0.000 0.271 243 P C -0.361 176.974 177.300 0.058 0.000 1.238 243 P CA -0.071 63.066 63.100 0.063 0.000 0.794 243 P CB 0.451 32.183 31.700 0.053 0.000 0.959 244 I N 1.611 122.212 120.570 0.053 0.000 2.472 244 I HA 0.043 4.213 4.170 -0.000 0.000 0.305 244 I C 0.104 176.231 176.117 0.017 0.000 1.196 244 I CA -0.267 61.035 61.300 0.004 0.000 1.613 244 I CB -0.575 37.410 38.000 -0.026 0.000 1.501 244 I HN -0.038 nan 8.210 nan 0.000 0.754 245 V N 7.662 127.596 119.914 0.034 0.000 2.872 245 V HA 0.100 4.220 4.120 -0.000 0.000 0.307 245 V C 0.276 176.396 176.094 0.044 0.000 1.072 245 V CA 0.205 62.527 62.300 0.037 0.000 1.148 245 V CB 1.065 32.918 31.823 0.051 0.000 0.954 245 V HN 0.613 nan 8.190 nan 0.000 0.490 246 L N 6.655 127.903 121.223 0.042 0.000 2.335 246 L HA 0.612 4.952 4.340 -0.000 0.000 0.268 246 L C -1.982 174.951 176.870 0.104 0.000 1.016 246 L CA -1.894 52.981 54.840 0.060 0.000 0.805 246 L CB 1.671 43.746 42.059 0.027 0.000 1.311 246 L HN 0.553 nan 8.230 nan 0.000 0.456 247 P HA 0.079 nan 4.420 nan 0.000 0.274 247 P C -1.226 176.239 177.300 0.275 0.000 1.231 247 P CA -0.272 62.961 63.100 0.222 0.000 0.790 247 P CB 1.087 32.984 31.700 0.329 0.000 0.951 248 E N 1.775 122.071 120.200 0.159 0.000 3.167 248 E HA 0.195 4.545 4.350 -0.000 0.000 0.212 248 E C -0.519 176.092 176.600 0.018 0.000 1.143 248 E CA -0.461 56.020 56.400 0.136 0.000 1.002 248 E CB 0.278 30.023 29.700 0.076 0.000 1.315 248 E HN 0.285 nan 8.360 nan 0.000 0.422 249 K N 0.636 120.987 120.400 -0.081 0.000 2.393 249 K HA 0.281 4.601 4.320 -0.000 0.000 0.241 249 K C -0.342 176.115 176.600 -0.237 0.000 1.055 249 K CA -0.604 55.426 56.287 -0.427 0.000 0.951 249 K CB 0.880 32.676 32.500 -1.173 0.000 1.285 249 K HN 0.233 nan 8.250 nan 0.000 0.500 250 D N -0.967 119.231 120.400 -0.336 0.000 2.594 250 D HA 0.162 4.802 4.640 -0.000 0.000 0.256 250 D C -0.930 175.269 176.300 -0.169 0.000 1.393 250 D CA -0.295 53.634 54.000 -0.119 0.000 0.797 250 D CB 0.673 41.438 40.800 -0.057 0.000 1.110 250 D HN 0.167 nan 8.370 nan 0.000 0.495 251 S N -0.133 115.278 115.700 -0.482 0.000 2.570 251 S HA 0.444 4.913 4.470 -0.000 0.000 0.286 251 S C -1.898 172.346 174.600 -0.593 0.000 1.143 251 S CA -0.964 57.055 58.200 -0.302 0.000 0.921 251 S CB 0.811 63.898 63.200 -0.187 0.000 1.108 251 S HN 0.178 nan 8.310 nan 0.000 0.456 252 W N 2.072 123.371 121.300 -0.001 0.000 2.683 252 W HA 0.551 5.211 4.660 -0.000 0.000 0.329 252 W C 0.697 177.217 176.519 0.001 0.000 1.037 252 W CA -0.675 56.670 57.345 0.001 0.000 1.232 252 W CB 1.137 30.597 29.460 -0.001 0.000 1.390 252 W HN 0.688 nan 8.180 nan 0.000 0.465 253 T N -2.058 112.594 114.554 0.163 0.000 2.810 253 T HA 0.242 4.592 4.350 -0.000 0.000 0.277 253 T C 0.907 175.678 174.700 0.119 0.000 0.973 253 T CA -0.615 61.548 62.100 0.104 0.000 0.949 253 T CB 0.883 69.783 68.868 0.053 0.000 1.075 253 T HN 0.211 nan 8.240 nan 0.000 0.537 254 V N 2.270 122.231 119.914 0.078 0.000 2.427 254 V HA -0.156 3.963 4.120 -0.000 0.000 0.248 254 V C 2.871 179.007 176.094 0.071 0.000 1.051 254 V CA 2.123 64.463 62.300 0.067 0.000 1.048 254 V CB -1.135 30.716 31.823 0.046 0.000 0.666 254 V HN 0.993 nan 8.190 nan 0.000 0.456 255 N N -0.062 118.680 118.700 0.070 0.000 2.251 255 N HA -0.175 4.565 4.740 -0.000 0.000 0.181 255 N C 1.657 177.227 175.510 0.100 0.000 1.019 255 N CA 1.462 54.555 53.050 0.070 0.000 0.862 255 N CB -0.637 37.883 38.487 0.055 0.000 0.992 255 N HN 0.394 nan 8.380 nan 0.000 0.429 256 D N 0.820 121.295 120.400 0.124 0.000 2.280 256 D HA -0.097 4.543 4.640 -0.000 0.000 0.206 256 D C 1.784 178.249 176.300 0.275 0.000 0.988 256 D CA 0.691 54.808 54.000 0.195 0.000 0.886 256 D CB -0.032 40.883 40.800 0.192 0.000 0.914 256 D HN 0.479 nan 8.370 nan 0.000 0.473 257 I N -0.469 120.218 120.570 0.195 0.000 2.512 257 I HA -0.110 4.059 4.170 -0.000 0.000 0.247 257 I C 2.364 178.514 176.117 0.055 0.000 1.094 257 I CA 0.127 61.492 61.300 0.109 0.000 1.427 257 I CB -0.211 37.831 38.000 0.070 0.000 1.149 257 I HN -0.135 nan 8.210 nan 0.000 0.438 258 Q N 1.003 120.838 119.800 0.058 0.000 2.308 258 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 258 Q C 1.949 177.982 176.000 0.055 0.000 0.985 258 Q CA 1.357 57.187 55.803 0.045 0.000 0.881 258 Q CB -0.024 28.742 28.738 0.047 0.000 0.917 258 Q HN 0.447 nan 8.270 nan 0.000 0.443 259 K N 0.097 120.543 120.400 0.076 0.000 2.029 259 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 259 K C 1.755 178.402 176.600 0.078 0.000 1.042 259 K CA 0.539 56.881 56.287 0.091 0.000 0.949 259 K CB -0.157 32.409 32.500 0.110 0.000 0.740 259 K HN 0.065 nan 8.250 nan 0.000 0.442 260 L N 1.444 122.712 121.223 0.074 0.000 2.549 260 L HA -0.093 4.246 4.340 -0.000 0.000 0.230 260 L C 1.583 178.433 176.870 -0.033 0.000 1.162 260 L CA 1.111 55.968 54.840 0.028 0.000 0.834 260 L CB -0.086 41.984 42.059 0.018 0.000 0.947 260 L HN -0.057 nan 8.230 nan 0.000 0.452 261 V N -0.860 119.042 119.914 -0.021 0.000 2.300 261 V HA 0.006 4.126 4.120 -0.000 0.000 0.241 261 V C 2.428 178.504 176.094 -0.031 0.000 1.034 261 V CA 1.494 63.771 62.300 -0.038 0.000 1.021 261 V CB -1.017 30.793 31.823 -0.022 0.000 0.662 261 V HN 0.489 nan 8.190 nan 0.000 0.458 262 G N -0.406 108.400 108.800 0.009 0.000 2.498 262 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 262 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 262 G C 1.584 176.465 174.900 -0.032 0.000 1.119 262 G CA 1.021 46.142 45.100 0.035 0.000 0.766 262 G HN 0.488 nan 8.290 nan 0.000 0.552 263 K N 0.045 120.389 120.400 -0.095 0.000 2.044 263 K HA 0.137 4.457 4.320 -0.000 0.000 0.204 263 K C 2.180 178.489 176.600 -0.485 0.000 1.049 263 K CA 0.450 56.521 56.287 -0.360 0.000 0.945 263 K CB -0.229 32.198 32.500 -0.121 0.000 0.724 263 K HN 0.313 nan 8.250 nan 0.000 0.440 264 L N 1.670 122.748 121.223 -0.242 0.000 2.552 264 L HA -0.053 4.286 4.340 -0.000 0.000 0.227 264 L C 1.974 178.742 176.870 -0.170 0.000 1.146 264 L CA 0.481 55.203 54.840 -0.197 0.000 0.858 264 L CB -0.394 41.583 42.059 -0.137 0.000 0.969 264 L HN 0.331 nan 8.230 nan 0.000 0.451 265 N N -0.640 117.974 118.700 -0.142 0.000 2.331 265 N HA -0.200 4.539 4.740 -0.000 0.000 0.180 265 N C 1.575 177.023 175.510 -0.104 0.000 1.019 265 N CA 1.272 54.273 53.050 -0.082 0.000 0.881 265 N CB -0.029 38.466 38.487 0.013 0.000 0.972 265 N HN 0.250 nan 8.380 nan 0.000 0.435 266 W N -0.021 121.017 121.300 -0.436 0.000 2.699 266 W HA 0.511 5.171 4.660 -0.001 0.000 0.265 266 W C 1.805 178.066 176.519 -0.431 0.000 1.210 266 W CA 0.385 57.451 57.345 -0.466 0.000 1.414 266 W CB -0.303 28.656 29.460 -0.834 0.000 1.043 266 W HN 0.072 nan 8.180 nan 0.000 0.599 267 A N 0.202 122.826 122.820 -0.327 0.000 2.250 267 A HA 0.035 4.354 4.320 -0.000 0.000 0.208 267 A C 1.710 179.274 177.584 -0.034 0.000 1.254 267 A CA 1.484 53.436 52.037 -0.142 0.000 0.858 267 A CB -0.984 17.901 19.000 -0.191 0.000 0.820 267 A HN 0.194 nan 8.150 nan 0.000 0.484 268 S N -1.359 114.272 115.700 -0.116 0.000 2.502 268 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 268 S C 1.526 176.012 174.600 -0.189 0.000 1.061 268 S CA 0.440 58.572 58.200 -0.113 0.000 0.935 268 S CB -0.313 62.791 63.200 -0.160 0.000 0.809 268 S HN 0.444 nan 8.310 nan 0.000 0.510 269 Q N 0.763 120.334 119.800 -0.381 0.000 2.488 269 Q HA 0.310 4.650 4.340 -0.000 0.000 0.211 269 Q C 1.608 177.358 176.000 -0.415 0.000 0.967 269 Q CA 0.569 56.009 55.803 -0.604 0.000 0.926 269 Q CB -0.438 27.462 28.738 -1.396 0.000 0.992 269 Q HN 0.655 nan 8.270 nan 0.000 0.506 270 I N -1.362 119.074 120.570 -0.223 0.000 3.030 270 I HA -0.033 4.137 4.170 -0.000 0.000 0.270 270 I C -0.560 175.249 176.117 -0.513 0.000 1.211 270 I CA 0.534 61.682 61.300 -0.254 0.000 1.479 270 I CB 0.453 38.337 38.000 -0.194 0.000 1.105 270 I HN 0.005 nan 8.210 nan 0.000 0.447 271 Y N 1.680 121.933 120.300 -0.078 0.000 2.475 271 Y HA 0.379 4.929 4.550 -0.000 0.000 0.343 271 Y C -1.740 174.096 175.900 -0.106 0.000 1.068 271 Y CA -1.932 56.121 58.100 -0.077 0.000 1.307 271 Y CB 0.672 39.087 38.460 -0.076 0.000 1.097 271 Y HN -0.026 nan 8.280 nan 0.000 0.530 272 P HA -0.159 nan 4.420 nan 0.000 0.221 272 P C 0.742 178.026 177.300 -0.027 0.000 1.141 272 P CA 1.124 64.194 63.100 -0.049 0.000 0.794 272 P CB 0.402 32.069 31.700 -0.054 0.000 0.764 273 G N 0.349 109.158 108.800 0.014 0.000 2.800 273 G HA2 0.540 4.500 3.960 -0.000 0.000 0.340 273 G HA3 0.540 4.500 3.960 -0.000 0.000 0.340 273 G C -0.930 173.951 174.900 -0.030 0.000 1.089 273 G CA -0.264 44.828 45.100 -0.013 0.000 1.144 273 G HN 0.232 nan 8.290 nan 0.000 0.461 274 I N 1.311 121.851 120.570 -0.052 0.000 2.627 274 I HA 0.288 4.457 4.170 -0.000 0.000 0.288 274 I C -0.935 175.133 176.117 -0.082 0.000 1.202 274 I CA -1.045 60.208 61.300 -0.079 0.000 1.050 274 I CB 1.998 39.958 38.000 -0.067 0.000 1.264 274 I HN 0.088 nan 8.210 nan 0.000 0.429 275 K N 5.992 126.339 120.400 -0.088 0.000 2.416 275 K HA 0.119 4.439 4.320 -0.000 0.000 0.283 275 K C 0.398 176.947 176.600 -0.086 0.000 1.037 275 K CA 0.147 56.384 56.287 -0.083 0.000 0.995 275 K CB 1.779 34.230 32.500 -0.082 0.000 0.938 275 K HN 0.558 nan 8.250 nan 0.000 0.475 276 V N 3.897 123.765 119.914 -0.076 0.000 2.602 276 V HA -0.044 4.076 4.120 -0.000 0.000 0.235 276 V C 1.951 178.005 176.094 -0.067 0.000 1.087 276 V CA 0.450 62.706 62.300 -0.073 0.000 1.117 276 V CB -0.008 31.775 31.823 -0.066 0.000 0.820 276 V HN 0.689 nan 8.190 nan 0.000 0.490 277 R N 0.128 120.594 120.500 -0.058 0.000 2.140 277 R HA -0.191 4.149 4.340 -0.000 0.000 0.250 277 R C 2.323 178.591 176.300 -0.055 0.000 1.150 277 R CA 2.013 58.083 56.100 -0.051 0.000 0.966 277 R CB -0.984 29.289 30.300 -0.044 0.000 0.869 277 R HN 0.567 nan 8.270 nan 0.000 0.445 278 Q N 0.088 119.850 119.800 -0.063 0.000 2.170 278 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 278 Q C 2.014 177.966 176.000 -0.080 0.000 0.976 278 Q CA 1.100 56.863 55.803 -0.068 0.000 0.858 278 Q CB 0.016 28.710 28.738 -0.073 0.000 0.907 278 Q HN 0.370 nan 8.270 nan 0.000 0.433 279 L N -0.676 120.492 121.223 -0.092 0.000 2.616 279 L HA 0.100 4.440 4.340 -0.000 0.000 0.229 279 L C 1.952 178.775 176.870 -0.078 0.000 1.110 279 L CA 0.156 54.931 54.840 -0.107 0.000 0.884 279 L CB 0.149 42.121 42.059 -0.144 0.000 1.115 279 L HN 0.002 nan 8.230 nan 0.000 0.481 280 S N -0.242 115.421 115.700 -0.061 0.000 2.528 280 S HA -0.068 4.402 4.470 -0.000 0.000 0.219 280 S C 1.844 176.424 174.600 -0.034 0.000 0.985 280 S CA 0.623 58.797 58.200 -0.043 0.000 0.914 280 S CB 0.206 63.382 63.200 -0.040 0.000 0.776 280 S HN 0.301 nan 8.310 nan 0.000 0.526 281 K N 0.397 120.774 120.400 -0.039 0.000 2.137 281 K HA 0.161 4.481 4.320 -0.000 0.000 0.202 281 K C 1.348 177.932 176.600 -0.026 0.000 1.052 281 K CA 0.598 56.866 56.287 -0.031 0.000 0.961 281 K CB -0.158 32.321 32.500 -0.034 0.000 0.741 281 K HN 0.282 nan 8.250 nan 0.000 0.452 282 L N 1.634 122.837 121.223 -0.033 0.000 2.671 282 L HA -0.108 4.231 4.340 -0.000 0.000 0.236 282 L C 0.396 177.261 176.870 -0.009 0.000 1.178 282 L CA 1.173 55.999 54.840 -0.024 0.000 0.829 282 L CB -0.880 41.158 42.059 -0.035 0.000 0.956 282 L HN 0.255 nan 8.230 nan 0.000 0.455 283 L N -4.344 116.874 121.223 -0.008 0.000 2.513 283 L HA 0.604 4.944 4.340 -0.000 0.000 0.261 283 L C 0.039 176.908 176.870 -0.001 0.000 0.945 283 L CA -0.857 53.983 54.840 0.000 0.000 0.848 283 L CB 1.849 43.911 42.059 0.006 0.000 1.334 283 L HN -0.218 nan 8.230 nan 0.000 0.407 284 R N 1.542 122.043 120.500 0.002 0.000 2.486 284 R HA 0.493 4.833 4.340 -0.000 0.000 0.388 284 R C -0.422 175.880 176.300 0.004 0.000 0.810 284 R CA 0.229 56.330 56.100 0.001 0.000 1.057 284 R CB 1.232 31.530 30.300 -0.002 0.000 1.670 284 R HN 1.058 nan 8.270 nan 0.000 0.551 285 G N -0.458 108.346 108.800 0.007 0.000 2.718 285 G HA2 0.187 4.147 3.960 -0.000 0.000 0.295 285 G HA3 0.187 4.147 3.960 -0.000 0.000 0.295 285 G C -0.502 174.404 174.900 0.011 0.000 1.421 285 G CA -0.547 44.558 45.100 0.008 0.000 0.902 285 G HN 0.043 nan 8.290 nan 0.000 0.501 286 T N 0.312 114.873 114.554 0.011 0.000 3.333 286 T HA 0.268 4.618 4.350 -0.000 0.000 0.240 286 T C 0.240 174.948 174.700 0.014 0.000 0.961 286 T CA -0.135 61.973 62.100 0.013 0.000 1.215 286 T CB -0.112 68.763 68.868 0.012 0.000 1.031 286 T HN 0.224 nan 8.240 nan 0.000 0.709 287 K N 1.903 122.313 120.400 0.016 0.000 2.098 287 K HA 0.630 4.950 4.320 -0.000 0.000 0.261 287 K C 0.345 176.957 176.600 0.020 0.000 0.987 287 K CA -0.761 55.536 56.287 0.018 0.000 0.916 287 K CB 1.677 34.189 32.500 0.020 0.000 1.039 287 K HN 0.677 nan 8.250 nan 0.000 0.455 288 A N 3.261 126.092 122.820 0.019 0.000 2.454 288 A HA 0.115 4.435 4.320 -0.000 0.000 0.260 288 A C 1.531 179.129 177.584 0.023 0.000 1.106 288 A CA -0.101 51.948 52.037 0.019 0.000 0.780 288 A CB -0.266 18.744 19.000 0.016 0.000 1.044 288 A HN 0.778 nan 8.150 nan 0.000 0.498 289 L N 2.346 123.583 121.223 0.023 0.000 2.081 289 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 289 L C 2.548 179.435 176.870 0.027 0.000 1.080 289 L CA 2.010 56.867 54.840 0.028 0.000 0.754 289 L CB -0.787 41.287 42.059 0.026 0.000 0.893 289 L HN 0.833 nan 8.230 nan 0.000 0.433 290 T N -1.708 112.858 114.554 0.020 0.000 2.777 290 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 290 T C 0.854 175.565 174.700 0.019 0.000 1.040 290 T CA 0.240 62.349 62.100 0.016 0.000 1.141 290 T CB -0.268 68.606 68.868 0.010 0.000 0.868 290 T HN 0.333 nan 8.240 nan 0.000 0.444 291 E N 1.995 122.208 120.200 0.022 0.000 2.765 291 E HA -0.031 4.319 4.350 -0.000 0.000 0.256 291 E C -0.932 175.689 176.600 0.035 0.000 0.935 291 E CA -0.123 56.292 56.400 0.025 0.000 0.954 291 E CB 0.346 30.061 29.700 0.025 0.000 0.908 291 E HN 0.067 nan 8.360 nan 0.000 0.500 292 V N 7.180 127.113 119.914 0.032 0.000 2.432 292 V HA 0.231 4.351 4.120 -0.000 0.000 0.275 292 V C 0.452 176.580 176.094 0.056 0.000 1.043 292 V CA -0.217 62.110 62.300 0.045 0.000 0.925 292 V CB 0.707 32.546 31.823 0.027 0.000 0.985 292 V HN 0.586 nan 8.190 nan 0.000 0.466 293 I N 3.297 123.917 120.570 0.084 0.000 2.867 293 I HA 0.474 4.644 4.170 -0.000 0.000 0.282 293 I C -2.295 173.886 176.117 0.107 0.000 1.437 293 I CA -1.646 59.700 61.300 0.076 0.000 0.918 293 I CB 1.303 39.336 38.000 0.055 0.000 1.612 293 I HN 0.397 nan 8.210 nan 0.000 0.592 294 P HA 0.067 nan 4.420 nan 0.000 0.272 294 P C -0.473 176.875 177.300 0.081 0.000 1.239 294 P CA 0.095 63.299 63.100 0.173 0.000 0.807 294 P CB 0.635 32.428 31.700 0.155 0.000 0.951 295 L N -1.140 120.111 121.223 0.046 0.000 2.397 295 L HA 0.577 4.916 4.340 -0.000 0.000 0.266 295 L C 1.414 178.277 176.870 -0.011 0.000 1.040 295 L CA -0.675 54.153 54.840 -0.019 0.000 0.800 295 L CB -1.107 40.890 42.059 -0.103 0.000 1.324 295 L HN 0.454 nan 8.230 nan 0.000 0.469 296 T N -3.677 110.860 114.554 -0.028 0.000 2.833 296 T HA 0.270 4.620 4.350 -0.000 0.000 0.312 296 T C 0.741 175.425 174.700 -0.027 0.000 1.085 296 T CA -0.284 61.803 62.100 -0.022 0.000 0.955 296 T CB 0.407 69.259 68.868 -0.026 0.000 1.353 296 T HN 0.586 nan 8.240 nan 0.000 0.544 297 E N 0.026 120.212 120.200 -0.024 0.000 2.318 297 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 297 E C 1.998 178.577 176.600 -0.036 0.000 0.998 297 E CA 0.360 56.745 56.400 -0.025 0.000 0.859 297 E CB 0.123 29.813 29.700 -0.017 0.000 0.812 297 E HN 0.634 nan 8.360 nan 0.000 0.492 298 E N 0.835 121.011 120.200 -0.041 0.000 2.051 298 E HA -0.045 4.304 4.350 -0.000 0.000 0.189 298 E C 1.784 178.345 176.600 -0.066 0.000 0.979 298 E CA 1.051 57.422 56.400 -0.048 0.000 0.803 298 E CB -0.072 29.602 29.700 -0.043 0.000 0.761 298 E HN 0.154 nan 8.360 nan 0.000 0.451 299 A N 0.568 123.343 122.820 -0.076 0.000 2.167 299 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 299 A C 1.886 179.389 177.584 -0.134 0.000 1.151 299 A CA 1.044 53.016 52.037 -0.108 0.000 0.735 299 A CB -0.139 18.793 19.000 -0.112 0.000 0.802 299 A HN 0.083 nan 8.150 nan 0.000 0.467 300 E N -0.981 119.160 120.200 -0.099 0.000 2.340 300 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 300 E C 1.480 178.038 176.600 -0.071 0.000 0.996 300 E CA 0.290 56.637 56.400 -0.088 0.000 0.869 300 E CB -0.037 29.637 29.700 -0.042 0.000 0.835 300 E HN 0.397 nan 8.360 nan 0.000 0.493 301 L N 0.352 121.536 121.223 -0.066 0.000 2.529 301 L HA 0.219 4.559 4.340 -0.000 0.000 0.223 301 L C 1.682 178.509 176.870 -0.072 0.000 1.113 301 L CA 1.136 55.942 54.840 -0.057 0.000 0.861 301 L CB 0.032 42.063 42.059 -0.047 0.000 1.012 301 L HN 0.089 nan 8.230 nan 0.000 0.461 302 E N -0.965 119.180 120.200 -0.092 0.000 2.299 302 E HA -0.148 4.201 4.350 -0.000 0.000 0.193 302 E C 1.911 178.438 176.600 -0.122 0.000 0.998 302 E CA 0.486 56.823 56.400 -0.106 0.000 0.851 302 E CB 0.117 29.747 29.700 -0.116 0.000 0.795 302 E HN 0.434 nan 8.360 nan 0.000 0.492 303 L N -0.118 121.026 121.223 -0.131 0.000 2.240 303 L HA 0.153 4.492 4.340 -0.000 0.000 0.211 303 L C 1.768 178.590 176.870 -0.080 0.000 1.106 303 L CA 1.615 56.374 54.840 -0.135 0.000 0.793 303 L CB 0.073 42.033 42.059 -0.166 0.000 0.927 303 L HN 0.061 nan 8.230 nan 0.000 0.446 304 A N -1.648 121.132 122.820 -0.066 0.000 2.303 304 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 304 A C 2.076 179.623 177.584 -0.061 0.000 1.205 304 A CA 0.452 52.461 52.037 -0.047 0.000 0.875 304 A CB -0.203 18.778 19.000 -0.032 0.000 0.910 304 A HN 0.512 nan 8.150 nan 0.000 0.501 305 E N 0.206 120.360 120.200 -0.076 0.000 2.052 305 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 305 E C 0.603 177.137 176.600 -0.110 0.000 0.958 305 E CA 0.114 56.463 56.400 -0.085 0.000 0.835 305 E CB -0.038 29.614 29.700 -0.081 0.000 0.811 305 E HN 0.407 nan 8.360 nan 0.000 0.462 306 N N 1.258 119.886 118.700 -0.120 0.000 2.627 306 N HA -0.105 4.635 4.740 -0.000 0.000 0.196 306 N C 1.040 176.459 175.510 -0.153 0.000 1.268 306 N CA 0.505 53.467 53.050 -0.147 0.000 0.904 306 N CB -0.029 38.376 38.487 -0.137 0.000 1.016 306 N HN 0.163 nan 8.380 nan 0.000 0.448 307 R N 0.067 120.493 120.500 -0.124 0.000 2.437 307 R HA 0.119 4.459 4.340 -0.000 0.000 0.257 307 R C 0.601 176.838 176.300 -0.106 0.000 0.927 307 R CA 0.100 56.139 56.100 -0.102 0.000 1.078 307 R CB 0.498 30.760 30.300 -0.064 0.000 1.161 307 R HN -0.093 nan 8.270 nan 0.000 0.529 308 E N 0.350 120.472 120.200 -0.130 0.000 2.340 308 E HA 0.077 4.427 4.350 -0.000 0.000 0.198 308 E C 1.613 178.101 176.600 -0.187 0.000 0.961 308 E CA 0.418 56.743 56.400 -0.124 0.000 0.905 308 E CB 0.329 29.969 29.700 -0.100 0.000 0.884 308 E HN 0.364 nan 8.360 nan 0.000 0.491 309 I N 0.925 121.327 120.570 -0.281 0.000 2.916 309 I HA -0.138 4.032 4.170 -0.000 0.000 0.267 309 I C 1.309 177.031 176.117 -0.658 0.000 1.263 309 I CA 0.740 61.737 61.300 -0.506 0.000 1.471 309 I CB -0.179 37.440 38.000 -0.635 0.000 1.089 309 I HN -0.093 nan 8.210 nan 0.000 0.468 310 L N 1.074 122.081 121.223 -0.360 0.000 2.912 310 L HA 0.228 4.567 4.340 -0.000 0.000 0.240 310 L C 1.126 177.949 176.870 -0.077 0.000 1.262 310 L CA 0.286 55.005 54.840 -0.201 0.000 1.058 310 L CB -0.299 41.681 42.059 -0.131 0.000 1.383 310 L HN 0.175 nan 8.230 nan 0.000 0.512 311 K N -0.251 120.104 120.400 -0.076 0.000 2.608 311 K HA 0.079 4.399 4.320 -0.000 0.000 0.214 311 K C 0.036 176.629 176.600 -0.012 0.000 1.469 311 K CA -0.081 56.191 56.287 -0.025 0.000 1.012 311 K CB 1.266 33.747 32.500 -0.032 0.000 1.211 311 K HN -0.031 nan 8.250 nan 0.000 0.627 312 E N 3.602 123.780 120.200 -0.037 0.000 2.046 312 E HA 0.138 4.488 4.350 -0.000 0.000 0.279 312 E C -2.516 174.139 176.600 0.092 0.000 0.989 312 E CA -2.819 53.571 56.400 -0.017 0.000 0.798 312 E CB 0.726 30.373 29.700 -0.088 0.000 1.086 312 E HN -0.095 nan 8.360 nan 0.000 0.399 313 P HA -0.116 nan 4.420 nan 0.000 0.260 313 P C 0.286 177.646 177.300 0.101 0.000 1.185 313 P CA -0.007 63.166 63.100 0.122 0.000 0.763 313 P CB 0.731 32.505 31.700 0.123 0.000 0.776 314 V N 5.381 125.361 119.914 0.110 0.000 3.230 314 V HA -0.112 4.008 4.120 -0.000 0.000 0.302 314 V C 0.041 176.252 176.094 0.195 0.000 1.158 314 V CA 0.580 62.851 62.300 -0.048 0.000 1.279 314 V CB -0.431 31.245 31.823 -0.246 0.000 0.983 314 V HN 0.600 nan 8.190 nan 0.000 0.506 315 H N 3.791 122.859 119.070 -0.004 0.000 2.823 315 H HA 0.574 5.129 4.556 -0.000 0.000 0.332 315 H C 0.570 175.915 175.328 0.029 0.000 0.980 315 H CA -0.227 55.841 56.048 0.032 0.000 1.286 315 H CB 1.526 31.314 29.762 0.043 0.000 1.541 315 H HN 0.994 nan 8.280 nan 0.000 0.521 316 G N 2.443 111.333 108.800 0.151 0.000 3.800 316 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.221 316 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.221 316 G C -0.159 174.891 174.900 0.250 0.000 0.893 316 G CA 0.009 45.192 45.100 0.138 0.000 0.986 316 G HN 0.541 nan 8.290 nan 0.000 0.719 317 V N 0.384 120.432 119.914 0.223 0.000 2.338 317 V HA 0.736 4.855 4.120 -0.000 0.000 0.255 317 V C -0.268 176.008 176.094 0.303 0.000 1.082 317 V CA -1.200 61.253 62.300 0.255 0.000 0.951 317 V CB -0.973 30.968 31.823 0.196 0.000 1.102 317 V HN 0.786 nan 8.190 nan 0.000 0.489 318 Y N 3.936 124.308 120.300 0.121 0.000 2.345 318 Y HA 0.610 5.159 4.550 -0.001 0.000 0.331 318 Y C -0.644 175.381 175.900 0.207 0.000 0.959 318 Y CA -3.066 55.106 58.100 0.119 0.000 1.204 318 Y CB 0.694 39.187 38.460 0.056 0.000 1.135 318 Y HN 0.605 nan 8.280 nan 0.000 0.477 319 Y N 4.471 124.799 120.300 0.046 0.000 2.683 319 Y HA 0.214 4.764 4.550 -0.000 0.000 0.355 319 Y C -0.386 175.489 175.900 -0.041 0.000 1.199 319 Y CA -0.915 57.218 58.100 0.055 0.000 1.654 319 Y CB -0.350 38.242 38.460 0.220 0.000 1.361 319 Y HN 0.788 nan 8.280 nan 0.000 0.493 320 D N 8.099 128.332 120.400 -0.279 0.000 2.422 320 D HA 0.239 4.878 4.640 -0.000 0.000 0.227 320 D C -2.140 173.937 176.300 -0.372 0.000 1.190 320 D CA -2.504 51.304 54.000 -0.320 0.000 0.905 320 D CB 1.341 41.983 40.800 -0.263 0.000 1.034 320 D HN 0.301 nan 8.370 nan 0.000 0.507 321 P HA -0.083 nan 4.420 nan 0.000 0.236 321 P C 1.030 178.230 177.300 -0.167 0.000 1.172 321 P CA 0.468 63.322 63.100 -0.411 0.000 0.759 321 P CB 0.280 31.696 31.700 -0.473 0.000 0.843 322 S N -1.769 113.844 115.700 -0.145 0.000 2.489 322 S HA -0.005 4.465 4.470 -0.000 0.000 0.228 322 S C 0.978 175.551 174.600 -0.045 0.000 0.995 322 S CA 0.654 58.807 58.200 -0.079 0.000 0.934 322 S CB -0.266 62.901 63.200 -0.054 0.000 0.771 322 S HN -0.069 nan 8.310 nan 0.000 0.522 323 K N 1.330 121.702 120.400 -0.047 0.000 2.352 323 K HA 0.390 4.710 4.320 -0.000 0.000 0.240 323 K C -1.593 174.999 176.600 -0.014 0.000 1.017 323 K CA -0.938 55.335 56.287 -0.023 0.000 0.851 323 K CB 1.103 33.587 32.500 -0.026 0.000 1.261 323 K HN -0.059 nan 8.250 nan 0.000 0.451 324 D N 2.198 122.590 120.400 -0.013 0.000 2.312 324 D HA 0.132 4.772 4.640 -0.000 0.000 0.252 324 D C -0.113 176.125 176.300 -0.104 0.000 1.150 324 D CA -0.136 53.848 54.000 -0.025 0.000 0.870 324 D CB 0.693 41.490 40.800 -0.005 0.000 1.153 324 D HN 0.387 nan 8.370 nan 0.000 0.457 325 L N 3.425 124.551 121.223 -0.161 0.000 2.597 325 L HA 0.070 4.410 4.340 -0.000 0.000 0.271 325 L C 0.533 177.179 176.870 -0.372 0.000 1.157 325 L CA 0.312 54.948 54.840 -0.340 0.000 0.928 325 L CB -0.047 41.734 42.059 -0.464 0.000 1.216 325 L HN 0.183 nan 8.230 nan 0.000 0.481 326 I N 2.910 123.181 120.570 -0.498 0.000 2.793 326 I HA 0.771 4.941 4.170 -0.000 0.000 0.313 326 I C 0.225 175.766 176.117 -0.960 0.000 0.998 326 I CA -0.567 60.362 61.300 -0.617 0.000 1.140 326 I CB 1.857 39.518 38.000 -0.566 0.000 1.327 326 I HN 0.632 nan 8.210 nan 0.000 0.491 327 A N 2.796 125.106 122.820 -0.851 0.000 2.602 327 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 327 A C -1.435 175.871 177.584 -0.463 0.000 1.114 327 A CA -0.594 50.970 52.037 -0.788 0.000 0.683 327 A CB 2.011 20.458 19.000 -0.921 0.000 1.281 327 A HN 0.714 nan 8.150 nan 0.000 0.416 328 E N -0.205 119.826 120.200 -0.281 0.000 2.356 328 E HA 0.641 4.991 4.350 -0.000 0.000 0.275 328 E C -1.556 174.961 176.600 -0.139 0.000 0.904 328 E CA -0.476 55.843 56.400 -0.135 0.000 0.757 328 E CB 2.826 32.519 29.700 -0.012 0.000 1.232 328 E HN 0.550 nan 8.360 nan 0.000 0.442 329 I N 1.156 121.676 120.570 -0.083 0.000 3.002 329 I HA 0.304 4.474 4.170 -0.000 0.000 0.310 329 I C -1.443 174.680 176.117 0.009 0.000 1.087 329 I CA -0.677 60.620 61.300 -0.006 0.000 1.017 329 I CB 2.214 40.257 38.000 0.072 0.000 1.226 329 I HN 0.453 nan 8.210 nan 0.000 0.443 330 Q N 3.859 123.706 119.800 0.079 0.000 2.331 330 Q HA 0.361 4.701 4.340 -0.000 0.000 0.272 330 Q C -1.290 174.694 176.000 -0.027 0.000 1.062 330 Q CA -0.722 55.081 55.803 -0.000 0.000 0.806 330 Q CB 2.319 30.992 28.738 -0.109 0.000 1.312 330 Q HN 0.303 nan 8.270 nan 0.000 0.431 331 K N 2.346 122.628 120.400 -0.198 0.000 2.253 331 K HA 0.265 4.585 4.320 -0.000 0.000 0.277 331 K C -0.258 176.091 176.600 -0.419 0.000 1.053 331 K CA -0.068 55.862 56.287 -0.595 0.000 0.892 331 K CB 0.675 32.902 32.500 -0.456 0.000 1.102 331 K HN 0.576 nan 8.250 nan 0.000 0.469 332 Q N 2.318 121.835 119.800 -0.471 0.000 2.596 332 Q HA 0.320 4.660 4.340 -0.000 0.000 0.190 332 Q C 0.280 176.133 176.000 -0.245 0.000 0.905 332 Q CA 0.218 55.862 55.803 -0.265 0.000 0.846 332 Q CB 0.764 29.404 28.738 -0.164 0.000 1.117 332 Q HN 0.759 nan 8.270 nan 0.000 0.630 333 G N 0.305 108.960 108.800 -0.241 0.000 2.752 333 G HA2 0.307 4.266 3.960 -0.000 0.000 0.298 333 G HA3 0.307 4.266 3.960 -0.000 0.000 0.298 333 G C -1.193 173.632 174.900 -0.126 0.000 1.434 333 G CA -0.412 44.589 45.100 -0.165 0.000 1.004 333 G HN 0.235 nan 8.290 nan 0.000 0.560 334 Q N 0.151 119.900 119.800 -0.085 0.000 2.447 334 Q HA -0.088 4.252 4.340 -0.000 0.000 0.348 334 Q C 1.179 177.178 176.000 -0.002 0.000 1.421 334 Q CA 1.646 57.435 55.803 -0.024 0.000 0.978 334 Q CB -1.225 27.507 28.738 -0.010 0.000 1.191 334 Q HN 2.823 nan 8.270 nan 0.000 0.371 335 G N 0.733 109.548 108.800 0.026 0.000 2.182 335 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.248 335 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.248 335 G C -0.400 174.557 174.900 0.094 0.000 1.042 335 G CA 0.286 45.503 45.100 0.196 0.000 0.775 335 G HN 0.459 nan 8.290 nan 0.000 0.501 336 Q N -0.434 119.213 119.800 -0.255 0.000 2.465 336 Q HA 0.596 4.935 4.340 -0.000 0.000 0.237 336 Q C -0.619 175.129 176.000 -0.420 0.000 1.051 336 Q CA -0.291 55.390 55.803 -0.203 0.000 0.874 336 Q CB 0.304 28.942 28.738 -0.166 0.000 1.207 336 Q HN 0.460 nan 8.270 nan 0.000 0.508 337 W N 1.224 122.616 121.300 0.154 0.000 2.819 337 W HA 0.625 5.285 4.660 -0.001 0.000 0.337 337 W C -0.317 176.336 176.519 0.222 0.000 1.077 337 W CA -0.856 56.595 57.345 0.176 0.000 1.226 337 W CB 1.571 31.173 29.460 0.237 0.000 1.419 337 W HN 0.379 nan 8.180 nan 0.000 0.502 338 T N -1.242 113.529 114.554 0.362 0.000 2.876 338 T HA 0.507 4.857 4.350 -0.000 0.000 0.289 338 T C -1.299 173.577 174.700 0.293 0.000 1.014 338 T CA -0.846 61.430 62.100 0.294 0.000 0.986 338 T CB 1.125 70.079 68.868 0.144 0.000 1.021 338 T HN 0.170 nan 8.240 nan 0.000 0.458 339 Y N 1.480 121.794 120.300 0.023 0.000 2.393 339 Y HA 0.468 5.017 4.550 -0.000 0.000 0.338 339 Y C 0.656 176.520 175.900 -0.061 0.000 1.029 339 Y CA -0.999 57.078 58.100 -0.038 0.000 1.239 339 Y CB 0.999 39.434 38.460 -0.042 0.000 1.170 339 Y HN 0.669 nan 8.280 nan 0.000 0.515 340 Q N 3.595 123.408 119.800 0.023 0.000 2.706 340 Q HA 0.438 4.777 4.340 -0.000 0.000 0.250 340 Q C -1.091 174.872 176.000 -0.063 0.000 1.120 340 Q CA 0.050 55.877 55.803 0.041 0.000 0.972 340 Q CB 0.061 28.820 28.738 0.036 0.000 1.173 340 Q HN 0.591 nan 8.270 nan 0.000 0.522 341 I N 3.736 124.276 120.570 -0.049 0.000 2.301 341 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 341 I C -0.684 175.341 176.117 -0.152 0.000 1.046 341 I CA -0.911 60.230 61.300 -0.265 0.000 1.282 341 I CB -0.115 37.745 38.000 -0.233 0.000 1.409 341 I HN 0.352 nan 8.210 nan 0.000 0.484 342 Y N 3.287 123.452 120.300 -0.225 0.000 2.609 342 Y HA 0.436 4.985 4.550 -0.001 0.000 0.336 342 Y C -0.147 175.639 175.900 -0.189 0.000 1.129 342 Y CA -1.210 56.798 58.100 -0.152 0.000 1.040 342 Y CB 1.122 39.538 38.460 -0.075 0.000 1.310 342 Y HN 0.389 nan 8.280 nan 0.000 0.460 343 Q N 0.197 120.076 119.800 0.131 0.000 2.350 343 Q HA 0.294 4.634 4.340 -0.000 0.000 0.225 343 Q C -0.536 175.568 176.000 0.173 0.000 0.878 343 Q CA 0.397 56.220 55.803 0.033 0.000 0.935 343 Q CB 0.947 29.628 28.738 -0.094 0.000 1.099 343 Q HN 0.627 nan 8.270 nan 0.000 0.527 344 E N -0.205 120.151 120.200 0.260 0.000 2.430 344 E HA 0.311 4.661 4.350 -0.000 0.000 0.279 344 E C -2.788 173.766 176.600 -0.077 0.000 1.003 344 E CA -2.333 54.142 56.400 0.125 0.000 0.801 344 E CB 1.592 31.364 29.700 0.120 0.000 1.313 344 E HN -0.266 nan 8.360 nan 0.000 0.459 345 P HA -0.063 nan 4.420 nan 0.000 0.252 345 P C -0.388 176.859 177.300 -0.088 0.000 1.147 345 P CA 0.902 63.817 63.100 -0.309 0.000 0.779 345 P CB -0.380 31.286 31.700 -0.057 0.000 0.733 346 F N 1.153 120.966 119.950 -0.227 0.000 2.825 346 F HA -0.269 4.257 4.527 -0.001 0.000 0.358 346 F C 1.012 176.771 175.800 -0.068 0.000 0.639 346 F CA 0.871 58.807 58.000 -0.106 0.000 1.153 346 F CB -1.579 37.375 39.000 -0.077 0.000 1.610 346 F HN 0.329 nan 8.300 nan 0.000 0.305 347 K N 1.681 122.131 120.400 0.083 0.000 2.751 347 K HA 0.200 4.520 4.320 -0.000 0.000 0.252 347 K C -0.220 176.474 176.600 0.158 0.000 1.277 347 K CA -0.143 56.223 56.287 0.132 0.000 1.226 347 K CB -0.505 32.089 32.500 0.157 0.000 1.658 347 K HN 0.229 nan 8.250 nan 0.000 0.303 348 N N 2.027 120.820 118.700 0.154 0.000 2.400 348 N HA 0.011 4.751 4.740 -0.000 0.000 0.278 348 N C 1.382 177.007 175.510 0.191 0.000 1.247 348 N CA 0.039 53.211 53.050 0.204 0.000 0.970 348 N CB 0.222 38.832 38.487 0.205 0.000 1.312 348 N HN 0.211 nan 8.380 nan 0.000 0.488 349 L N 0.766 122.116 121.223 0.211 0.000 2.079 349 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 349 L C 0.988 178.032 176.870 0.289 0.000 1.081 349 L CA 1.166 56.175 54.840 0.281 0.000 0.752 349 L CB -0.346 41.958 42.059 0.409 0.000 0.896 349 L HN 0.498 nan 8.230 nan 0.000 0.433 350 K N -0.071 120.488 120.400 0.265 0.000 2.589 350 K HA 0.291 4.610 4.320 -0.000 0.000 0.265 350 K C -1.120 175.581 176.600 0.168 0.000 0.935 350 K CA -0.387 56.029 56.287 0.215 0.000 0.850 350 K CB 1.901 34.587 32.500 0.309 0.000 1.372 350 K HN 0.012 nan 8.250 nan 0.000 0.420 351 T N -0.225 114.391 114.554 0.102 0.000 2.916 351 T HA 0.926 5.275 4.350 -0.000 0.000 0.292 351 T C 0.049 174.671 174.700 -0.130 0.000 1.055 351 T CA -0.204 61.954 62.100 0.097 0.000 1.009 351 T CB 1.991 70.974 68.868 0.191 0.000 1.118 351 T HN 0.794 nan 8.240 nan 0.000 0.497 352 G N 0.638 109.286 108.800 -0.253 0.000 2.570 352 G HA2 0.698 4.657 3.960 -0.000 0.000 0.310 352 G HA3 0.698 4.657 3.960 -0.000 0.000 0.310 352 G C -1.659 172.916 174.900 -0.542 0.000 1.266 352 G CA -0.626 44.010 45.100 -0.774 0.000 0.825 352 G HN 1.057 nan 8.290 nan 0.000 0.483 353 K N -2.535 117.504 120.400 -0.601 0.000 2.305 353 K HA 0.811 5.131 4.320 -0.000 0.000 0.268 353 K C -2.049 174.909 176.600 0.596 0.000 1.034 353 K CA -1.089 55.286 56.287 0.147 0.000 0.879 353 K CB 2.357 34.999 32.500 0.236 0.000 1.506 353 K HN 1.004 nan 8.250 nan 0.000 0.425 354 Y N -0.314 120.291 120.300 0.508 0.000 2.294 354 Y HA 0.498 5.048 4.550 -0.000 0.000 0.316 354 Y C -2.274 173.878 175.900 0.420 0.000 1.265 354 Y CA -0.388 58.009 58.100 0.496 0.000 1.149 354 Y CB 1.588 40.337 38.460 0.481 0.000 1.293 354 Y HN 0.974 nan 8.280 nan 0.000 0.416 355 A N 6.230 128.934 122.820 -0.193 0.000 2.365 355 A HA 0.746 5.066 4.320 -0.000 0.000 0.318 355 A C -0.811 176.516 177.584 -0.429 0.000 1.091 355 A CA -1.057 50.882 52.037 -0.163 0.000 0.763 355 A CB 1.246 20.227 19.000 -0.033 0.000 1.248 355 A HN 0.826 nan 8.150 nan 0.000 0.442 356 R N 3.570 123.942 120.500 -0.212 0.000 2.502 356 R HA 0.145 4.485 4.340 -0.000 0.000 0.292 356 R C 0.675 176.893 176.300 -0.137 0.000 0.998 356 R CA -0.144 55.853 56.100 -0.171 0.000 1.056 356 R CB 0.165 30.463 30.300 -0.004 0.000 0.939 356 R HN 0.799 nan 8.270 nan 0.000 0.411 357 M N 3.156 122.678 119.600 -0.129 0.000 2.113 357 M HA 0.084 4.563 4.480 -0.000 0.000 0.288 357 M C 0.380 176.654 176.300 -0.043 0.000 1.225 357 M CA 0.362 55.613 55.300 -0.082 0.000 1.148 357 M CB -0.076 32.489 32.600 -0.057 0.000 1.388 357 M HN 0.581 nan 8.290 nan 0.000 0.469 358 R N 0.640 121.118 120.500 -0.036 0.000 4.576 358 R HA 0.329 4.669 4.340 -0.000 0.000 0.185 358 R C -0.203 176.087 176.300 -0.017 0.000 1.837 358 R CA 0.129 56.213 56.100 -0.026 0.000 1.520 358 R CB -0.920 29.363 30.300 -0.027 0.000 1.403 358 R HN 0.878 nan 8.270 nan 0.000 0.831 359 G N -0.394 108.402 108.800 -0.007 0.000 3.105 359 G HA2 0.515 4.475 3.960 -0.000 0.000 0.277 359 G HA3 0.515 4.475 3.960 -0.000 0.000 0.277 359 G C -1.218 173.698 174.900 0.027 0.000 1.375 359 G CA -0.586 44.517 45.100 0.004 0.000 0.962 359 G HN 0.394 nan 8.290 nan 0.000 0.541 360 A N 0.463 123.307 122.820 0.041 0.000 2.540 360 A HA 0.342 4.662 4.320 -0.000 0.000 0.264 360 A C 0.670 178.339 177.584 0.142 0.000 1.080 360 A CA 0.230 52.321 52.037 0.090 0.000 0.776 360 A CB -1.418 17.624 19.000 0.071 0.000 1.011 360 A HN 1.082 nan 8.150 nan 0.000 0.514 361 H N 2.155 121.215 119.070 -0.016 0.000 3.138 361 H HA 0.315 4.871 4.556 -0.000 0.000 0.275 361 H C 0.744 176.058 175.328 -0.023 0.000 0.997 361 H CA -0.155 55.884 56.048 -0.015 0.000 1.460 361 H CB 0.035 29.790 29.762 -0.011 0.000 1.524 361 H HN 0.644 nan 8.280 nan 0.000 0.532 362 T N 1.631 116.158 114.554 -0.045 0.000 3.018 362 T HA 0.156 4.506 4.350 -0.000 0.000 0.338 362 T C 0.499 175.093 174.700 -0.177 0.000 1.208 362 T CA -0.338 61.675 62.100 -0.144 0.000 0.963 362 T CB 0.542 69.328 68.868 -0.136 0.000 1.697 362 T HN 0.866 nan 8.240 nan 0.000 0.560 363 N N -1.105 117.485 118.700 -0.183 0.000 2.619 363 N HA 0.333 5.073 4.740 -0.000 0.000 0.294 363 N C 0.272 175.767 175.510 -0.025 0.000 1.279 363 N CA -0.818 52.154 53.050 -0.130 0.000 0.867 363 N CB 0.432 38.807 38.487 -0.187 0.000 1.329 363 N HN 0.500 nan 8.380 nan 0.000 0.557 364 D N -0.371 120.061 120.400 0.053 0.000 2.182 364 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 364 D C 1.894 178.268 176.300 0.124 0.000 0.999 364 D CA 2.656 56.793 54.000 0.229 0.000 0.850 364 D CB -0.609 40.306 40.800 0.192 0.000 0.994 364 D HN 0.455 nan 8.370 nan 0.000 0.450 365 V N 0.260 120.216 119.914 0.069 0.000 2.287 365 V HA -0.263 3.856 4.120 -0.000 0.000 0.248 365 V C 2.446 178.555 176.094 0.025 0.000 1.053 365 V CA 2.296 64.674 62.300 0.131 0.000 1.027 365 V CB -0.882 31.069 31.823 0.213 0.000 0.646 365 V HN 0.110 nan 8.190 nan 0.000 0.447 366 K N 0.173 120.422 120.400 -0.251 0.000 2.059 366 K HA -0.305 4.015 4.320 -0.000 0.000 0.212 366 K C 2.332 178.778 176.600 -0.255 0.000 1.050 366 K CA 2.615 58.518 56.287 -0.641 0.000 0.927 366 K CB -0.256 31.631 32.500 -1.020 0.000 0.714 366 K HN 0.767 nan 8.250 nan 0.000 0.447 367 Q N 0.331 120.014 119.800 -0.194 0.000 2.033 367 Q HA -0.067 4.273 4.340 -0.000 0.000 0.196 367 Q C 2.302 178.079 176.000 -0.372 0.000 0.970 367 Q CA 1.070 56.767 55.803 -0.177 0.000 0.828 367 Q CB -0.225 28.451 28.738 -0.102 0.000 0.895 367 Q HN 0.332 nan 8.270 nan 0.000 0.440 368 L N 0.985 121.838 121.223 -0.617 0.000 2.151 368 L HA -0.282 4.058 4.340 -0.000 0.000 0.215 368 L C 2.014 178.760 176.870 -0.208 0.000 1.084 368 L CA 1.262 55.685 54.840 -0.695 0.000 0.764 368 L CB -0.231 41.572 42.059 -0.427 0.000 0.891 368 L HN 0.323 nan 8.230 nan 0.000 0.435 369 T N -0.749 113.838 114.554 0.055 0.000 2.770 369 T HA -0.152 4.197 4.350 -0.000 0.000 0.263 369 T C 1.559 176.218 174.700 -0.067 0.000 1.039 369 T CA 1.530 63.772 62.100 0.236 0.000 1.142 369 T CB -0.066 69.014 68.868 0.354 0.000 0.868 369 T HN 0.487 nan 8.240 nan 0.000 0.435 370 E N 1.549 121.662 120.200 -0.145 0.000 2.106 370 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 370 E C 1.968 178.313 176.600 -0.425 0.000 0.984 370 E CA 0.872 57.115 56.400 -0.262 0.000 0.806 370 E CB -0.117 29.484 29.700 -0.164 0.000 0.750 370 E HN 0.383 nan 8.360 nan 0.000 0.458 371 A N 0.689 123.247 122.820 -0.436 0.000 2.265 371 A HA 0.110 4.429 4.320 -0.000 0.000 0.213 371 A C 1.546 178.996 177.584 -0.224 0.000 1.255 371 A CA 0.339 52.113 52.037 -0.438 0.000 0.862 371 A CB 0.148 18.920 19.000 -0.381 0.000 0.852 371 A HN 0.120 nan 8.150 nan 0.000 0.484 372 V N -1.970 117.832 119.914 -0.187 0.000 3.408 372 V HA -0.020 4.100 4.120 -0.000 0.000 0.263 372 V C 2.047 178.050 176.094 -0.151 0.000 1.503 372 V CA 0.675 62.903 62.300 -0.120 0.000 1.046 372 V CB 0.088 31.715 31.823 -0.328 0.000 0.851 372 V HN 0.580 nan 8.190 nan 0.000 0.435 373 Q N -0.270 119.389 119.800 -0.236 0.000 2.134 373 Q HA -0.020 4.320 4.340 -0.000 0.000 0.195 373 Q C 2.101 178.105 176.000 0.006 0.000 0.958 373 Q CA 0.798 56.469 55.803 -0.221 0.000 0.840 373 Q CB 0.036 28.462 28.738 -0.520 0.000 0.918 373 Q HN 0.305 nan 8.270 nan 0.000 0.467 374 K N 1.447 121.771 120.400 -0.126 0.000 1.991 374 K HA -0.157 4.162 4.320 -0.000 0.000 0.212 374 K C 2.074 178.701 176.600 0.045 0.000 1.049 374 K CA 1.083 57.338 56.287 -0.054 0.000 0.932 374 K CB -0.771 31.600 32.500 -0.215 0.000 0.717 374 K HN 0.290 nan 8.250 nan 0.000 0.441 375 I N 1.069 121.584 120.570 -0.092 0.000 2.315 375 I HA -0.299 3.871 4.170 -0.000 0.000 0.251 375 I C 1.321 177.464 176.117 0.043 0.000 1.125 375 I CA 1.742 62.900 61.300 -0.236 0.000 1.392 375 I CB -0.072 37.544 38.000 -0.640 0.000 1.065 375 I HN 0.082 nan 8.210 nan 0.000 0.424 376 T N 0.069 114.767 114.554 0.239 0.000 2.978 376 T HA -0.049 4.301 4.350 -0.000 0.000 0.262 376 T C 1.699 176.461 174.700 0.102 0.000 1.063 376 T CA 1.451 63.704 62.100 0.256 0.000 1.140 376 T CB -0.206 68.941 68.868 0.465 0.000 0.886 376 T HN 0.419 nan 8.240 nan 0.000 0.470 377 T N 2.617 117.283 114.554 0.186 0.000 2.699 377 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 377 T C 1.882 176.594 174.700 0.019 0.000 1.036 377 T CA 1.393 63.566 62.100 0.122 0.000 1.147 377 T CB -0.231 68.736 68.868 0.165 0.000 0.862 377 T HN 0.592 nan 8.240 nan 0.000 0.446 378 E N 0.816 121.063 120.200 0.078 0.000 2.051 378 E HA -0.032 4.318 4.350 -0.000 0.000 0.189 378 E C 2.481 179.154 176.600 0.120 0.000 0.979 378 E CA 0.886 57.341 56.400 0.091 0.000 0.803 378 E CB -0.306 29.505 29.700 0.185 0.000 0.761 378 E HN 0.283 nan 8.360 nan 0.000 0.451 379 S N 0.760 116.539 115.700 0.133 0.000 2.407 379 S HA -0.189 4.280 4.470 -0.000 0.000 0.235 379 S C 1.915 176.581 174.600 0.110 0.000 1.036 379 S CA 1.031 59.321 58.200 0.149 0.000 1.013 379 S CB -0.256 62.902 63.200 -0.070 0.000 0.820 379 S HN 0.198 nan 8.310 nan 0.000 0.476 380 I N 0.437 120.983 120.570 -0.039 0.000 2.617 380 I HA -0.058 4.112 4.170 -0.000 0.000 0.256 380 I C 1.943 178.071 176.117 0.018 0.000 1.167 380 I CA 0.587 61.802 61.300 -0.141 0.000 1.469 380 I CB -0.085 37.710 38.000 -0.342 0.000 1.098 380 I HN 0.213 nan 8.210 nan 0.000 0.436 381 V N 0.579 120.486 119.914 -0.011 0.000 2.500 381 V HA -0.082 4.037 4.120 -0.000 0.000 0.243 381 V C 2.063 178.090 176.094 -0.113 0.000 1.039 381 V CA 1.199 63.464 62.300 -0.058 0.000 1.053 381 V CB -0.220 31.512 31.823 -0.151 0.000 0.695 381 V HN 0.284 nan 8.190 nan 0.000 0.463 382 I N -1.618 118.885 120.570 -0.111 0.000 3.291 382 I HA -0.068 4.102 4.170 -0.000 0.000 0.279 382 I C 1.812 177.568 176.117 -0.602 0.000 1.294 382 I CA 1.122 62.201 61.300 -0.369 0.000 1.428 382 I CB -0.026 37.707 38.000 -0.445 0.000 1.070 382 I HN 0.440 nan 8.210 nan 0.000 0.478 383 W N -0.375 120.768 121.300 -0.260 0.000 2.804 383 W HA 0.241 4.901 4.660 -0.001 0.000 0.205 383 W C 1.428 177.852 176.519 -0.159 0.000 0.994 383 W CA 0.751 57.868 57.345 -0.381 0.000 1.269 383 W CB 0.526 29.654 29.460 -0.555 0.000 0.761 383 W HN 0.156 nan 8.180 nan 0.000 0.745 384 G N 2.392 111.241 108.800 0.081 0.000 2.141 384 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.231 384 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.231 384 G C 0.059 174.999 174.900 0.067 0.000 0.984 384 G CA 0.791 45.956 45.100 0.108 0.000 0.660 384 G HN 0.297 nan 8.290 nan 0.000 0.525 385 K N -1.571 118.800 120.400 -0.048 0.000 2.499 385 K HA 0.779 5.099 4.320 -0.000 0.000 0.284 385 K C -0.515 176.002 176.600 -0.139 0.000 1.039 385 K CA -0.456 55.780 56.287 -0.085 0.000 0.873 385 K CB 0.722 33.294 32.500 0.120 0.000 1.545 385 K HN 0.545 nan 8.250 nan 0.000 0.402 386 T N -1.419 113.125 114.554 -0.016 0.000 2.912 386 T HA 0.554 4.904 4.350 -0.000 0.000 0.288 386 T C -2.585 172.129 174.700 0.022 0.000 1.030 386 T CA -1.930 60.184 62.100 0.022 0.000 1.020 386 T CB 1.630 70.586 68.868 0.147 0.000 1.056 386 T HN 0.275 nan 8.240 nan 0.000 0.480 387 P HA 0.302 nan 4.420 nan 0.000 0.296 387 P C -0.259 177.084 177.300 0.071 0.000 1.295 387 P CA -0.513 62.535 63.100 -0.086 0.000 0.754 387 P CB 0.352 31.847 31.700 -0.341 0.000 1.311 388 K N 0.429 120.822 120.400 -0.011 0.000 3.301 388 K HA 0.226 4.546 4.320 -0.000 0.000 0.170 388 K C -0.972 175.672 176.600 0.073 0.000 1.061 388 K CA -0.654 55.673 56.287 0.067 0.000 0.807 388 K CB -0.569 31.912 32.500 -0.031 0.000 0.889 388 K HN 0.189 nan 8.250 nan 0.000 0.564 389 F N 2.048 121.951 119.950 -0.078 0.000 2.537 389 F HA -0.149 4.377 4.527 -0.001 0.000 0.402 389 F C 1.335 177.046 175.800 -0.148 0.000 1.005 389 F CA 0.972 58.900 58.000 -0.120 0.000 1.203 389 F CB 0.322 39.263 39.000 -0.098 0.000 0.955 389 F HN -0.124 nan 8.300 nan 0.000 0.547 390 K N 6.228 126.608 120.400 -0.034 0.000 2.257 390 K HA 0.319 4.639 4.320 -0.000 0.000 0.270 390 K C -0.376 176.179 176.600 -0.075 0.000 1.098 390 K CA -0.298 55.953 56.287 -0.059 0.000 0.943 390 K CB 0.760 33.231 32.500 -0.050 0.000 1.316 390 K HN 0.535 nan 8.250 nan 0.000 0.447 391 L N 4.991 126.124 121.223 -0.150 0.000 2.349 391 L HA 0.141 4.481 4.340 -0.000 0.000 0.275 391 L C -0.908 175.931 176.870 -0.053 0.000 1.115 391 L CA -1.393 53.331 54.840 -0.192 0.000 0.820 391 L CB 0.812 42.575 42.059 -0.492 0.000 1.135 391 L HN 0.294 nan 8.230 nan 0.000 0.445 392 P HA 0.039 nan 4.420 nan 0.000 0.245 392 P C 0.533 177.857 177.300 0.041 0.000 1.203 392 P CA 0.610 63.722 63.100 0.020 0.000 0.792 392 P CB 0.879 32.613 31.700 0.057 0.000 0.997 393 I N -0.042 120.544 120.570 0.027 0.000 3.110 393 I HA 0.148 4.317 4.170 -0.000 0.000 0.314 393 I C 0.548 176.666 176.117 0.000 0.000 1.020 393 I CA -0.799 60.531 61.300 0.049 0.000 1.169 393 I CB 1.051 39.101 38.000 0.084 0.000 1.437 393 I HN -0.208 nan 8.210 nan 0.000 0.595 394 Q N 2.569 122.348 119.800 -0.035 0.000 2.235 394 Q HA 0.146 4.486 4.340 -0.000 0.000 0.250 394 Q C 0.482 176.226 176.000 -0.427 0.000 0.909 394 Q CA -0.143 55.563 55.803 -0.161 0.000 0.910 394 Q CB 1.632 30.334 28.738 -0.060 0.000 1.223 394 Q HN 0.470 nan 8.270 nan 0.000 0.432 395 K N 2.392 122.305 120.400 -0.811 0.000 2.015 395 K HA -0.266 4.054 4.320 -0.000 0.000 0.220 395 K C 1.173 177.505 176.600 -0.447 0.000 1.055 395 K CA 1.919 57.483 56.287 -1.204 0.000 0.951 395 K CB 0.270 32.350 32.500 -0.701 0.000 0.725 395 K HN 0.498 nan 8.250 nan 0.000 0.449 396 E N 0.218 120.279 120.200 -0.231 0.000 2.055 396 E HA -0.231 4.118 4.350 -0.000 0.000 0.209 396 E C 2.118 178.685 176.600 -0.056 0.000 1.036 396 E CA 2.215 58.546 56.400 -0.114 0.000 0.849 396 E CB -1.259 28.404 29.700 -0.061 0.000 0.767 396 E HN 0.461 nan 8.360 nan 0.000 0.461 397 T N 1.590 116.179 114.554 0.059 0.000 2.607 397 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 397 T C 1.440 176.346 174.700 0.343 0.000 1.049 397 T CA 1.549 63.833 62.100 0.307 0.000 1.162 397 T CB -0.733 68.308 68.868 0.289 0.000 0.863 397 T HN 0.411 nan 8.240 nan 0.000 0.424 398 W N 2.022 123.325 121.300 0.006 0.000 2.298 398 W HA -0.239 4.420 4.660 -0.001 0.000 0.328 398 W C 2.061 178.686 176.519 0.177 0.000 1.259 398 W CA 1.779 59.144 57.345 0.033 0.000 1.251 398 W CB -0.273 29.119 29.460 -0.114 0.000 1.161 398 W HN 0.402 nan 8.180 nan 0.000 0.466 399 E N -0.627 119.613 120.200 0.067 0.000 2.333 399 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 399 E C 1.966 178.409 176.600 -0.262 0.000 1.007 399 E CA 1.627 58.044 56.400 0.029 0.000 0.845 399 E CB -0.129 29.550 29.700 -0.035 0.000 0.766 399 E HN 0.256 nan 8.360 nan 0.000 0.507 400 T N -0.570 113.783 114.554 -0.335 0.000 2.770 400 T HA -0.066 4.284 4.350 -0.000 0.000 0.258 400 T C 1.093 175.274 174.700 -0.865 0.000 1.039 400 T CA 0.696 62.343 62.100 -0.756 0.000 1.143 400 T CB -0.002 68.115 68.868 -1.253 0.000 0.866 400 T HN 0.360 nan 8.240 nan 0.000 0.428 401 W N 0.598 121.766 121.300 -0.220 0.000 2.993 401 W HA 0.215 4.875 4.660 -0.000 0.000 0.290 401 W C 2.069 178.361 176.519 -0.378 0.000 1.203 401 W CA -0.809 56.377 57.345 -0.264 0.000 1.582 401 W CB -0.481 28.955 29.460 -0.041 0.000 1.033 401 W HN 0.410 nan 8.180 nan 0.000 0.594 402 W N 2.462 123.488 121.300 -0.457 0.000 2.304 402 W HA -0.316 4.343 4.660 -0.001 0.000 0.315 402 W C 1.734 177.969 176.519 -0.473 0.000 1.233 402 W CA 2.586 59.478 57.345 -0.756 0.000 1.261 402 W CB -1.702 26.654 29.460 -1.840 0.000 1.150 402 W HN -0.136 nan 8.180 nan 0.000 0.494 403 T N -1.035 112.597 114.554 -1.537 0.000 2.946 403 T HA -0.219 4.131 4.350 -0.000 0.000 0.271 403 T C 1.545 175.839 174.700 -0.677 0.000 1.104 403 T CA 1.681 62.841 62.100 -1.565 0.000 1.114 403 T CB -0.346 67.408 68.868 -1.858 0.000 0.867 403 T HN 0.139 nan 8.240 nan 0.000 0.513 404 E N 1.447 121.299 120.200 -0.580 0.000 2.015 404 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 404 E C 0.110 176.439 176.600 -0.452 0.000 0.991 404 E CA 1.121 57.165 56.400 -0.592 0.000 0.802 404 E CB -0.310 28.778 29.700 -1.019 0.000 0.759 404 E HN 0.796 nan 8.360 nan 0.000 0.447 405 Y N -0.503 119.834 120.300 0.062 0.000 2.817 405 Y HA 0.239 4.789 4.550 -0.000 0.000 0.339 405 Y C -0.032 175.989 175.900 0.201 0.000 1.281 405 Y CA -0.562 57.596 58.100 0.097 0.000 1.564 405 Y CB -0.149 38.350 38.460 0.066 0.000 1.628 405 Y HN 0.029 nan 8.280 nan 0.000 0.489 406 W N 2.398 123.736 121.300 0.063 0.000 3.274 406 W HA 0.364 5.023 4.660 -0.000 0.000 0.327 406 W C -1.070 175.465 176.519 0.028 0.000 1.172 406 W CA -0.948 56.441 57.345 0.073 0.000 1.217 406 W CB 2.320 31.868 29.460 0.146 0.000 1.376 406 W HN 0.339 nan 8.180 nan 0.000 0.507 407 Q N 2.919 122.720 119.800 0.002 0.000 2.073 407 Q HA 0.305 4.644 4.340 -0.000 0.000 0.215 407 Q C 0.345 176.288 176.000 -0.094 0.000 0.776 407 Q CA -0.073 55.745 55.803 0.025 0.000 1.008 407 Q CB 1.429 30.147 28.738 -0.034 0.000 1.196 407 Q HN 0.353 nan 8.270 nan 0.000 0.458 408 A N 1.014 123.598 122.820 -0.394 0.000 2.350 408 A HA 0.277 4.596 4.320 -0.000 0.000 0.293 408 A C 1.153 178.557 177.584 -0.300 0.000 1.231 408 A CA -0.000 51.590 52.037 -0.745 0.000 0.883 408 A CB -0.092 17.851 19.000 -1.761 0.000 1.133 408 A HN 0.326 nan 8.150 nan 0.000 0.533 409 T N 0.935 115.374 114.554 -0.192 0.000 3.320 409 T HA 0.033 4.383 4.350 -0.000 0.000 0.262 409 T C 0.280 175.100 174.700 0.199 0.000 1.187 409 T CA 0.350 62.494 62.100 0.073 0.000 1.038 409 T CB -0.846 68.125 68.868 0.172 0.000 0.939 409 T HN 0.726 nan 8.240 nan 0.000 0.550 410 W N -0.668 120.868 121.300 0.395 0.000 3.032 410 W HA 0.705 5.365 4.660 -0.001 0.000 0.341 410 W C -1.463 175.368 176.519 0.520 0.000 1.202 410 W CA -2.193 55.359 57.345 0.345 0.000 1.132 410 W CB 0.723 30.351 29.460 0.279 0.000 1.465 410 W HN -0.137 nan 8.180 nan 0.000 0.576 411 I N 3.243 124.185 120.570 0.621 0.000 2.503 411 I HA 0.183 4.353 4.170 -0.000 0.000 0.282 411 I C -2.138 174.181 176.117 0.337 0.000 1.059 411 I CA -2.082 59.480 61.300 0.437 0.000 1.081 411 I CB 2.121 40.176 38.000 0.092 0.000 1.210 411 I HN -0.119 nan 8.210 nan 0.000 0.450 412 P HA 0.060 nan 4.420 nan 0.000 0.271 412 P C -0.234 177.037 177.300 -0.048 0.000 1.216 412 P CA -0.070 63.220 63.100 0.317 0.000 0.776 412 P CB 1.192 33.143 31.700 0.418 0.000 0.881 413 E N 1.979 122.154 120.200 -0.042 0.000 2.409 413 E HA 0.210 4.560 4.350 -0.000 0.000 0.257 413 E C -0.590 175.956 176.600 -0.091 0.000 1.150 413 E CA 0.431 56.700 56.400 -0.218 0.000 0.942 413 E CB 0.329 29.985 29.700 -0.073 0.000 0.979 413 E HN 0.535 nan 8.360 nan 0.000 0.447 414 W N 0.246 121.482 121.300 -0.108 0.000 3.064 414 W HA 0.391 5.051 4.660 -0.000 0.000 0.328 414 W C -1.482 174.802 176.519 -0.392 0.000 1.210 414 W CA -0.812 56.397 57.345 -0.226 0.000 1.178 414 W CB -0.409 28.836 29.460 -0.357 0.000 1.416 414 W HN 0.539 nan 8.180 nan 0.000 0.568 415 E N 0.360 120.494 120.200 -0.111 0.000 2.456 415 E HA 0.792 5.142 4.350 -0.000 0.000 0.276 415 E C -1.782 174.446 176.600 -0.620 0.000 0.981 415 E CA -1.094 55.105 56.400 -0.334 0.000 0.814 415 E CB 2.562 32.198 29.700 -0.108 0.000 1.382 415 E HN 0.203 nan 8.360 nan 0.000 0.459 416 F N 0.455 120.405 119.950 0.001 0.000 2.469 416 F HA 0.647 5.174 4.527 -0.001 0.000 0.332 416 F C -0.420 175.360 175.800 -0.033 0.000 1.103 416 F CA -1.022 56.939 58.000 -0.065 0.000 0.979 416 F CB 2.173 41.146 39.000 -0.045 0.000 1.137 416 F HN 0.295 nan 8.300 nan 0.000 0.463 417 V N 4.328 124.320 119.914 0.130 0.000 2.851 417 V HA 0.523 4.642 4.120 -0.000 0.000 0.307 417 V C -1.735 174.384 176.094 0.041 0.000 1.129 417 V CA -0.621 61.720 62.300 0.068 0.000 0.932 417 V CB 2.071 33.910 31.823 0.027 0.000 1.024 417 V HN 0.857 nan 8.190 nan 0.000 0.426 418 N N 3.477 122.195 118.700 0.031 0.000 2.407 418 N HA 0.677 5.417 4.740 -0.000 0.000 0.277 418 N C -1.050 174.456 175.510 -0.007 0.000 0.995 418 N CA -0.099 52.957 53.050 0.010 0.000 0.903 418 N CB 2.077 40.573 38.487 0.014 0.000 1.218 418 N HN 0.810 nan 8.380 nan 0.000 0.487 419 T N -0.897 113.638 114.554 -0.031 0.000 3.295 419 T HA 0.414 4.763 4.350 -0.000 0.000 0.331 419 T C -2.936 171.715 174.700 -0.081 0.000 1.142 419 T CA -1.042 61.027 62.100 -0.051 0.000 1.078 419 T CB 0.867 69.698 68.868 -0.061 0.000 1.150 419 T HN 0.256 nan 8.240 nan 0.000 0.465 420 P HA 0.142 nan 4.420 nan 0.000 0.266 420 P C -1.884 175.327 177.300 -0.148 0.000 1.180 420 P CA -0.630 62.415 63.100 -0.093 0.000 0.765 420 P CB 0.177 31.833 31.700 -0.073 0.000 0.806 421 P HA 0.103 nan 4.420 nan 0.000 0.343 421 P C 0.419 177.580 177.300 -0.231 0.000 1.358 421 P CA -0.242 62.739 63.100 -0.198 0.000 0.802 421 P CB 0.288 31.901 31.700 -0.145 0.000 1.886 422 L N -3.176 117.919 121.223 -0.212 0.000 5.081 422 L HA -0.195 4.145 4.340 -0.000 0.000 0.423 422 L C 1.051 177.683 176.870 -0.396 0.000 1.019 422 L CA 1.581 56.331 54.840 -0.150 0.000 1.223 422 L CB -2.160 39.867 42.059 -0.054 0.000 1.940 422 L HN 0.234 nan 8.230 nan 0.000 0.675 423 V N -5.898 113.560 119.914 -0.760 0.000 3.645 423 V HA 0.205 4.325 4.120 -0.000 0.000 0.275 423 V C 1.929 177.358 176.094 -1.110 0.000 1.356 423 V CA 0.856 62.167 62.300 -1.648 0.000 1.051 423 V CB 0.152 31.299 31.823 -1.127 0.000 0.828 423 V HN 0.386 nan 8.190 nan 0.000 0.441 424 K N 0.158 120.231 120.400 -0.546 0.000 2.323 424 K HA 0.238 4.557 4.320 -0.000 0.000 0.197 424 K C 1.825 178.390 176.600 -0.058 0.000 1.043 424 K CA 0.568 56.726 56.287 -0.215 0.000 0.997 424 K CB -0.053 32.340 32.500 -0.178 0.000 0.807 424 K HN 0.289 nan 8.250 nan 0.000 0.497 425 L N 0.631 121.765 121.223 -0.149 0.000 1.990 425 L HA -0.198 4.141 4.340 -0.000 0.000 0.213 425 L C 1.897 178.903 176.870 0.226 0.000 1.072 425 L CA 1.725 56.605 54.840 0.066 0.000 0.755 425 L CB -0.886 41.276 42.059 0.171 0.000 0.889 425 L HN 0.309 nan 8.230 nan 0.000 0.432 426 W N -1.526 119.803 121.300 0.048 0.000 2.436 426 W HA -0.192 4.468 4.660 -0.001 0.000 0.261 426 W C 1.923 178.219 176.519 -0.371 0.000 1.222 426 W CA 0.449 57.707 57.345 -0.145 0.000 1.191 426 W CB -1.624 27.712 29.460 -0.207 0.000 1.132 426 W HN 0.328 nan 8.180 nan 0.000 0.596 427 Y N -1.351 119.062 120.300 0.188 0.000 2.426 427 Y HA 0.169 4.718 4.550 -0.000 0.000 0.249 427 Y C 1.790 177.744 175.900 0.090 0.000 1.103 427 Y CA -0.494 57.684 58.100 0.132 0.000 1.256 427 Y CB -0.488 38.027 38.460 0.092 0.000 1.208 427 Y HN -0.163 nan 8.280 nan 0.000 0.519 428 Q N 0.000 119.921 119.800 0.202 0.000 2.315 428 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 428 Q CA 0.000 55.875 55.803 0.120 0.000 1.022 428 Q CB 0.000 28.789 28.738 0.085 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481