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 3p4i_1_A DATA FIRST_RESID 8 DATA SEQUENCE ARRVLVINSG SSSLKFQLVD PESGVAASTG IVERIXXESS PVPDHDAALR DATA SEQUENCE RAFDMLAGDG VDLNTAGLVA VGHRVVHGGN TFYRPTVLDD AVIARLHELS DATA SEQUENCE ELAPLHNPPA LLGIEVARRL LPGIAHVAVF DTGFFHDLPP AAATYAIDRE DATA SEQUENCE LADRWQIRRY GFHGTSHRYV SEQAAAFLDR PLRGLKQIVL HLGNGCSASA DATA SEQUENCE IAGTRPLDTS MGLTPLEGLV MGTRSGDIDP SVVSYLCHTA GMGVDDVESM DATA SEQUENCE LNHRSGVVGL SGVRDFRRLR ELIESGDGAA QLAYSVFTHR LRKYIGAYLA DATA SEQUENCE VLGHTDVISF TAGIGENDAA VRRDAVSGME ELGIVLDERR NLPGAKGARQ DATA SEQUENCE ISADDSPITV LVVPTNEELA IARDCVRVLG G 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.582 177.584 -0.004 0.000 1.274 8 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 8 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 9 R N 1.316 121.814 120.500 -0.004 0.000 2.832 9 R HA 0.956 5.294 4.340 -0.004 0.000 0.271 9 R C -0.455 175.840 176.300 -0.008 0.000 0.996 9 R CA -0.901 55.195 56.100 -0.007 0.000 0.977 9 R CB 1.727 32.023 30.300 -0.007 0.000 1.168 9 R HN 0.650 nan 8.270 nan 0.000 0.482 10 R N 0.589 121.082 120.500 -0.012 0.000 2.740 10 R HA 0.515 4.853 4.340 -0.004 0.000 0.273 10 R C -1.407 174.881 176.300 -0.021 0.000 0.998 10 R CA -1.096 54.996 56.100 -0.013 0.000 0.900 10 R CB 2.874 33.170 30.300 -0.008 0.000 1.223 10 R HN 0.359 nan 8.270 nan 0.000 0.466 11 V N 2.588 122.489 119.914 -0.022 0.000 2.487 11 V HA 0.333 4.451 4.120 -0.004 0.000 0.298 11 V C -0.790 175.288 176.094 -0.028 0.000 1.028 11 V CA -0.885 61.395 62.300 -0.035 0.000 0.860 11 V CB 1.738 33.539 31.823 -0.037 0.000 0.991 11 V HN 0.501 nan 8.190 nan 0.000 0.427 12 L N 6.607 127.806 121.223 -0.039 0.000 2.278 12 L HA 0.507 4.844 4.340 -0.004 0.000 0.287 12 L C -0.286 176.550 176.870 -0.057 0.000 1.072 12 L CA 0.462 55.291 54.840 -0.017 0.000 0.819 12 L CB 1.083 43.140 42.059 -0.004 0.000 1.176 12 L HN 0.485 nan 8.230 nan 0.000 0.435 13 V N 6.819 126.718 119.914 -0.026 0.000 2.370 13 V HA 0.444 4.562 4.120 -0.004 0.000 0.279 13 V C 0.178 176.256 176.094 -0.027 0.000 1.029 13 V CA -0.561 61.706 62.300 -0.056 0.000 0.870 13 V CB 1.292 33.088 31.823 -0.046 0.000 0.984 13 V HN 0.505 nan 8.190 nan 0.000 0.451 14 I N 4.315 124.831 120.570 -0.091 0.000 2.441 14 I HA 0.464 4.632 4.170 -0.004 0.000 0.295 14 I C -0.249 175.867 176.117 -0.002 0.000 0.994 14 I CA -0.444 60.833 61.300 -0.038 0.000 1.144 14 I CB 1.907 39.830 38.000 -0.130 0.000 1.314 14 I HN 0.565 nan 8.210 nan 0.000 0.445 15 N N 3.531 122.258 118.700 0.044 0.000 2.623 15 N HA 0.142 4.880 4.740 -0.004 0.000 0.256 15 N C -1.206 174.355 175.510 0.085 0.000 1.045 15 N CA -0.030 53.052 53.050 0.053 0.000 0.863 15 N CB 1.303 39.813 38.487 0.037 0.000 1.182 15 N HN 0.519 nan 8.380 nan 0.000 0.523 16 S N 2.101 117.860 115.700 0.098 0.000 2.474 16 S HA 0.675 5.143 4.470 -0.004 0.000 0.320 16 S C 0.356 175.033 174.600 0.128 0.000 1.067 16 S CA -0.549 57.727 58.200 0.126 0.000 1.127 16 S CB -0.289 62.980 63.200 0.116 0.000 0.971 16 S HN 0.585 nan 8.310 nan 0.000 0.472 17 G N 2.075 110.970 108.800 0.158 0.000 2.557 17 G HA2 0.387 4.345 3.960 -0.004 0.000 0.302 17 G HA3 0.387 4.345 3.960 -0.004 0.000 0.302 17 G C 1.053 176.066 174.900 0.188 0.000 1.311 17 G CA -0.093 45.103 45.100 0.160 0.000 1.030 17 G HN 0.817 nan 8.290 nan 0.000 0.509 18 S N -1.434 114.335 115.700 0.115 0.000 2.406 18 S HA -0.102 4.366 4.470 -0.004 0.000 0.228 18 S C 1.967 176.633 174.600 0.109 0.000 1.020 18 S CA 1.619 59.892 58.200 0.122 0.000 0.965 18 S CB -0.195 63.019 63.200 0.024 0.000 0.798 18 S HN 1.010 nan 8.310 nan 0.000 0.488 19 S N 0.474 116.205 115.700 0.053 0.000 2.559 19 S HA 0.416 4.884 4.470 -0.004 0.000 0.226 19 S C 0.413 175.006 174.600 -0.012 0.000 1.000 19 S CA 0.052 58.253 58.200 0.002 0.000 0.948 19 S CB 0.020 63.217 63.200 -0.006 0.000 0.870 19 S HN 0.763 nan 8.310 nan 0.000 0.497 20 S N 0.456 116.171 115.700 0.026 0.000 2.607 20 S HA 0.789 5.257 4.470 -0.004 0.000 0.273 20 S C -1.432 173.206 174.600 0.063 0.000 1.148 20 S CA -0.860 57.356 58.200 0.026 0.000 0.833 20 S CB 1.708 64.928 63.200 0.034 0.000 1.130 20 S HN 0.486 nan 8.310 nan 0.000 0.470 21 L N 0.923 122.184 121.223 0.063 0.000 2.476 21 L HA 0.618 4.956 4.340 -0.004 0.000 0.269 21 L C -1.238 175.707 176.870 0.125 0.000 0.965 21 L CA -0.385 54.517 54.840 0.104 0.000 0.845 21 L CB 1.688 43.809 42.059 0.104 0.000 1.259 21 L HN 0.807 nan 8.230 nan 0.000 0.403 22 K N 4.833 125.294 120.400 0.100 0.000 2.138 22 K HA 0.638 4.956 4.320 -0.004 0.000 0.263 22 K C -1.283 175.391 176.600 0.123 0.000 0.965 22 K CA -0.506 55.806 56.287 0.043 0.000 0.868 22 K CB 1.797 34.289 32.500 -0.014 0.000 1.083 22 K HN 0.468 nan 8.250 nan 0.000 0.443 23 F N -0.681 119.259 119.950 -0.016 0.000 2.613 23 F HA 0.508 5.033 4.527 -0.004 0.000 0.310 23 F C -1.154 174.634 175.800 -0.019 0.000 1.085 23 F CA -0.983 57.003 58.000 -0.022 0.000 0.945 23 F CB 1.769 40.760 39.000 -0.015 0.000 1.298 23 F HN 0.408 nan 8.300 nan 0.000 0.455 24 Q N 2.821 122.692 119.800 0.119 0.000 2.295 24 Q HA 0.530 4.868 4.340 -0.004 0.000 0.268 24 Q C -2.456 173.604 176.000 0.100 0.000 1.010 24 Q CA -0.955 54.871 55.803 0.038 0.000 0.856 24 Q CB 2.858 31.563 28.738 -0.054 0.000 1.349 24 Q HN 0.996 nan 8.270 nan 0.000 0.412 25 L N 4.846 126.135 121.223 0.110 0.000 2.272 25 L HA 0.731 5.068 4.340 -0.004 0.000 0.289 25 L C -1.508 175.380 176.870 0.030 0.000 1.032 25 L CA -0.373 54.511 54.840 0.073 0.000 0.810 25 L CB 1.585 43.698 42.059 0.090 0.000 1.205 25 L HN 0.482 nan 8.230 nan 0.000 0.422 26 V N 4.626 124.545 119.914 0.009 0.000 2.841 26 V HA 0.526 4.644 4.120 -0.004 0.000 0.310 26 V C -1.482 174.608 176.094 -0.006 0.000 1.090 26 V CA -0.626 61.672 62.300 -0.004 0.000 0.930 26 V CB 2.143 33.954 31.823 -0.019 0.000 1.014 26 V HN 0.839 nan 8.190 nan 0.000 0.425 27 D N 7.786 128.184 120.400 -0.004 0.000 2.347 27 D HA 0.457 5.095 4.640 -0.004 0.000 0.235 27 D C -1.540 174.760 176.300 -0.001 0.000 1.149 27 D CA -2.243 51.756 54.000 -0.002 0.000 0.850 27 D CB 2.123 42.924 40.800 0.001 0.000 1.061 27 D HN 0.420 nan 8.370 nan 0.000 0.487 28 P HA -0.088 nan 4.420 nan 0.000 0.223 28 P C 0.636 177.944 177.300 0.013 0.000 1.151 28 P CA 0.781 63.883 63.100 0.004 0.000 0.787 28 P CB 0.709 32.411 31.700 0.003 0.000 0.788 29 E N 0.144 120.351 120.200 0.012 0.000 2.086 29 E HA -0.070 4.277 4.350 -0.004 0.000 0.190 29 E C 2.271 178.881 176.600 0.018 0.000 0.975 29 E CA 1.551 57.960 56.400 0.015 0.000 0.813 29 E CB -0.504 29.203 29.700 0.011 0.000 0.768 29 E HN 0.301 nan 8.360 nan 0.000 0.457 30 S N -1.786 113.923 115.700 0.014 0.000 2.456 30 S HA 0.216 4.684 4.470 -0.004 0.000 0.224 30 S C 1.778 176.389 174.600 0.018 0.000 1.035 30 S CA 0.474 58.683 58.200 0.016 0.000 0.940 30 S CB 0.501 63.708 63.200 0.011 0.000 0.799 30 S HN 0.332 nan 8.310 nan 0.000 0.508 31 G N 0.746 109.554 108.800 0.014 0.000 2.157 31 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.248 31 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.248 31 G C 0.033 174.935 174.900 0.002 0.000 0.979 31 G CA -0.011 45.095 45.100 0.011 0.000 0.650 31 G HN 0.734 nan 8.290 nan 0.000 0.529 32 V N 1.111 121.027 119.914 0.003 0.000 2.572 32 V HA 0.538 4.656 4.120 -0.004 0.000 0.291 32 V C 0.997 177.088 176.094 -0.004 0.000 1.039 32 V CA 0.259 62.560 62.300 0.000 0.000 1.055 32 V CB 1.330 33.155 31.823 0.003 0.000 0.969 32 V HN 1.192 nan 8.190 nan 0.000 0.482 33 A N 4.211 127.026 122.820 -0.008 0.000 2.260 33 A HA 0.682 4.999 4.320 -0.004 0.000 0.312 33 A C 1.181 178.766 177.584 0.002 0.000 1.321 33 A CA 0.132 52.164 52.037 -0.008 0.000 0.928 33 A CB 0.862 19.848 19.000 -0.023 0.000 1.158 33 A HN 1.184 nan 8.150 nan 0.000 0.542 34 A N 2.150 124.978 122.820 0.013 0.000 1.930 34 A HA 0.303 4.621 4.320 -0.004 0.000 0.217 34 A C 1.205 178.810 177.584 0.035 0.000 1.175 34 A CA 1.671 53.721 52.037 0.022 0.000 0.627 34 A CB -0.103 18.912 19.000 0.026 0.000 0.815 34 A HN 1.315 nan 8.150 nan 0.000 0.443 35 S N -2.049 113.681 115.700 0.049 0.000 2.543 35 S HA 0.553 5.021 4.470 -0.004 0.000 0.273 35 S C -1.125 173.497 174.600 0.037 0.000 1.152 35 S CA -0.358 57.887 58.200 0.076 0.000 0.910 35 S CB 1.343 64.635 63.200 0.154 0.000 1.105 35 S HN 0.267 nan 8.310 nan 0.000 0.465 36 T N 2.586 117.095 114.554 -0.076 0.000 2.912 36 T HA 0.884 5.232 4.350 -0.004 0.000 0.299 36 T C -0.020 174.375 174.700 -0.508 0.000 1.052 36 T CA -0.446 61.471 62.100 -0.304 0.000 0.996 36 T CB 1.657 70.405 68.868 -0.201 0.000 1.070 36 T HN 1.081 nan 8.240 nan 0.000 0.465 37 G N 0.740 108.904 108.800 -1.060 0.000 2.495 37 G HA2 0.668 4.626 3.960 -0.004 0.000 0.294 37 G HA3 0.668 4.626 3.960 -0.004 0.000 0.294 37 G C -2.208 172.268 174.900 -0.707 0.000 1.397 37 G CA -0.601 43.999 45.100 -0.833 0.000 0.790 37 G HN 0.880 nan 8.290 nan 0.000 0.486 38 I N 0.060 120.512 120.570 -0.196 0.000 2.644 38 I HA 0.581 4.749 4.170 -0.004 0.000 0.291 38 I C -1.204 174.960 176.117 0.079 0.000 1.180 38 I CA -0.937 60.346 61.300 -0.028 0.000 1.040 38 I CB 2.096 40.064 38.000 -0.054 0.000 1.255 38 I HN 0.363 nan 8.210 nan 0.000 0.422 39 V N 7.058 127.038 119.914 0.110 0.000 2.370 39 V HA 0.454 4.572 4.120 -0.004 0.000 0.279 39 V C -0.010 176.095 176.094 0.019 0.000 1.029 39 V CA -0.386 61.952 62.300 0.064 0.000 0.870 39 V CB 1.326 33.177 31.823 0.047 0.000 0.984 39 V HN 0.699 nan 8.190 nan 0.000 0.451 40 E N 3.149 123.351 120.200 0.004 0.000 2.249 40 E HA 0.635 4.983 4.350 -0.004 0.000 0.263 40 E C -0.207 176.379 176.600 -0.023 0.000 0.950 40 E CA -0.965 55.431 56.400 -0.007 0.000 0.827 40 E CB 1.432 31.132 29.700 -0.001 0.000 1.220 40 E HN 0.476 nan 8.360 nan 0.000 0.411 41 R N 0.237 120.722 120.500 -0.025 0.000 3.531 41 R HA -0.201 4.137 4.340 -0.004 0.000 0.280 41 R C -0.012 176.257 176.300 -0.052 0.000 1.130 41 R CA 0.085 56.167 56.100 -0.031 0.000 0.757 41 R CB -2.180 28.107 30.300 -0.023 0.000 1.218 41 R HN 0.468 nan 8.270 nan 0.000 0.454 46 S N -1.016 114.677 115.700 -0.013 0.000 3.018 46 S HA -0.165 4.303 4.470 -0.004 0.000 0.274 46 S C 0.842 175.434 174.600 -0.013 0.000 1.300 46 S CA 1.205 59.399 58.200 -0.011 0.000 1.179 46 S CB -1.550 61.644 63.200 -0.009 0.000 1.427 46 S HN 1.807 nan 8.310 nan 0.000 0.668 47 S N 1.140 116.830 115.700 -0.017 0.000 2.584 47 S HA 0.472 4.940 4.470 -0.004 0.000 0.273 47 S C -1.167 173.421 174.600 -0.020 0.000 1.311 47 S CA -1.086 57.102 58.200 -0.020 0.000 1.034 47 S CB 0.837 64.020 63.200 -0.027 0.000 0.939 47 S HN 0.130 nan 8.310 nan 0.000 0.513 48 P HA 0.102 nan 4.420 nan 0.000 0.237 48 P C -0.249 177.035 177.300 -0.027 0.000 1.178 48 P CA 0.281 63.370 63.100 -0.019 0.000 0.766 48 P CB 0.133 31.825 31.700 -0.014 0.000 0.876 49 V N 2.060 121.952 119.914 -0.037 0.000 2.266 49 V HA 0.269 4.387 4.120 -0.004 0.000 0.271 49 V C -1.711 174.346 176.094 -0.063 0.000 1.032 49 V CA -2.238 60.029 62.300 -0.054 0.000 0.806 49 V CB 1.384 33.166 31.823 -0.069 0.000 1.052 49 V HN -0.058 nan 8.190 nan 0.000 0.449 50 P HA 0.026 nan 4.420 nan 0.000 0.215 50 P C -0.033 177.239 177.300 -0.048 0.000 1.157 50 P CA 1.043 64.119 63.100 -0.039 0.000 0.856 50 P CB 0.323 32.010 31.700 -0.022 0.000 0.786 51 D N -2.842 117.528 120.400 -0.050 0.000 2.758 51 D HA 0.123 4.761 4.640 -0.004 0.000 0.262 51 D C 0.782 177.025 176.300 -0.095 0.000 1.113 51 D CA -0.750 53.231 54.000 -0.032 0.000 1.114 51 D CB -0.315 40.502 40.800 0.027 0.000 1.363 51 D HN -0.115 nan 8.370 nan 0.000 0.617 52 H N -1.636 117.423 119.070 -0.018 0.000 2.502 52 H HA 0.091 4.645 4.556 -0.003 0.000 0.283 52 H C 0.804 176.107 175.328 -0.042 0.000 1.015 52 H CA 1.375 57.408 56.048 -0.025 0.000 1.298 52 H CB 0.172 29.926 29.762 -0.014 0.000 1.411 52 H HN 0.538 nan 8.280 nan 0.000 0.556 53 D N 0.118 120.550 120.400 0.053 0.000 2.084 53 D HA -0.116 4.522 4.640 -0.004 0.000 0.196 53 D C 2.286 178.558 176.300 -0.046 0.000 0.985 53 D CA 1.255 55.257 54.000 0.003 0.000 0.826 53 D CB -0.053 40.754 40.800 0.010 0.000 0.978 53 D HN 0.331 nan 8.370 nan 0.000 0.456 54 A N 0.371 123.164 122.820 -0.045 0.000 1.972 54 A HA 0.010 4.328 4.320 -0.004 0.000 0.219 54 A C 2.304 179.830 177.584 -0.096 0.000 1.169 54 A CA 1.956 53.957 52.037 -0.061 0.000 0.635 54 A CB -0.974 17.998 19.000 -0.047 0.000 0.810 54 A HN 0.347 nan 8.150 nan 0.000 0.446 55 A N -0.538 122.216 122.820 -0.109 0.000 1.877 55 A HA -0.062 4.256 4.320 -0.004 0.000 0.216 55 A C 2.108 179.582 177.584 -0.184 0.000 1.186 55 A CA 1.720 53.681 52.037 -0.127 0.000 0.620 55 A CB -0.587 18.329 19.000 -0.140 0.000 0.822 55 A HN 0.575 nan 8.150 nan 0.000 0.443 56 L N -0.352 120.733 121.223 -0.230 0.000 2.141 56 L HA -0.064 4.273 4.340 -0.004 0.000 0.209 56 L C 2.501 178.925 176.870 -0.743 0.000 1.094 56 L CA 1.497 56.059 54.840 -0.464 0.000 0.763 56 L CB -0.379 41.434 42.059 -0.410 0.000 0.908 56 L HN 0.317 nan 8.230 nan 0.000 0.437 57 R N -1.129 119.122 120.500 -0.415 0.000 2.096 57 R HA -0.146 4.192 4.340 -0.004 0.000 0.235 57 R C 2.386 178.591 176.300 -0.159 0.000 1.127 57 R CA 1.292 57.244 56.100 -0.246 0.000 0.968 57 R CB -0.352 29.905 30.300 -0.070 0.000 0.861 57 R HN 0.327 nan 8.270 nan 0.000 0.440 58 R N 0.568 120.973 120.500 -0.160 0.000 2.073 58 R HA -0.097 4.241 4.340 -0.004 0.000 0.234 58 R C 2.246 178.470 176.300 -0.127 0.000 1.134 58 R CA 1.443 57.487 56.100 -0.094 0.000 0.952 58 R CB -0.247 30.013 30.300 -0.066 0.000 0.850 58 R HN 0.210 nan 8.270 nan 0.000 0.433 59 A N 0.420 123.071 122.820 -0.282 0.000 1.940 59 A HA -0.180 4.138 4.320 -0.004 0.000 0.219 59 A C 2.037 179.408 177.584 -0.355 0.000 1.176 59 A CA 1.325 53.046 52.037 -0.526 0.000 0.631 59 A CB -0.824 17.665 19.000 -0.852 0.000 0.814 59 A HN 0.410 nan 8.150 nan 0.000 0.446 60 F N 0.047 119.837 119.950 -0.268 0.000 2.102 60 F HA -0.217 4.308 4.527 -0.004 0.000 0.298 60 F C 2.268 178.000 175.800 -0.114 0.000 1.105 60 F CA 0.764 58.658 58.000 -0.178 0.000 1.239 60 F CB -0.269 38.664 39.000 -0.113 0.000 0.991 60 F HN 0.214 nan 8.300 nan 0.000 0.474 61 D N 0.460 120.932 120.400 0.119 0.000 2.123 61 D HA -0.200 4.438 4.640 -0.004 0.000 0.196 61 D C 2.149 178.479 176.300 0.050 0.000 0.992 61 D CA 1.417 55.456 54.000 0.064 0.000 0.833 61 D CB -0.457 40.369 40.800 0.042 0.000 0.954 61 D HN 0.267 nan 8.370 nan 0.000 0.455 62 M N -0.163 119.463 119.600 0.044 0.000 2.159 62 M HA -0.117 4.361 4.480 -0.004 0.000 0.263 62 M C 2.217 178.579 176.300 0.104 0.000 1.063 62 M CA 1.047 56.400 55.300 0.089 0.000 1.110 62 M CB -0.176 32.525 32.600 0.168 0.000 1.374 62 M HN -0.008 nan 8.290 nan 0.000 0.411 63 L N -0.477 120.786 121.223 0.067 0.000 2.056 63 L HA -0.127 4.211 4.340 -0.004 0.000 0.207 63 L C 2.851 179.751 176.870 0.050 0.000 1.078 63 L CA 1.063 55.950 54.840 0.078 0.000 0.749 63 L CB -0.889 41.194 42.059 0.039 0.000 0.901 63 L HN 0.289 nan 8.230 nan 0.000 0.433 64 A N 0.460 123.299 122.820 0.031 0.000 1.908 64 A HA -0.178 4.140 4.320 -0.004 0.000 0.218 64 A C 2.397 179.995 177.584 0.024 0.000 1.181 64 A CA 1.855 53.902 52.037 0.016 0.000 0.627 64 A CB -1.384 17.622 19.000 0.010 0.000 0.818 64 A HN 0.452 nan 8.150 nan 0.000 0.445 65 G N -0.603 108.219 108.800 0.036 0.000 2.462 65 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.220 65 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.220 65 G C 0.717 175.638 174.900 0.036 0.000 1.121 65 G CA 1.147 46.268 45.100 0.035 0.000 0.758 65 G HN 0.500 nan 8.290 nan 0.000 0.559 66 D N -0.065 120.362 120.400 0.045 0.000 2.342 66 D HA 0.265 4.903 4.640 -0.004 0.000 0.221 66 D C 1.733 178.051 176.300 0.030 0.000 1.101 66 D CA 0.601 54.626 54.000 0.041 0.000 0.837 66 D CB -0.004 40.831 40.800 0.057 0.000 0.938 66 D HN 0.348 nan 8.370 nan 0.000 0.508 67 G N 0.178 108.991 108.800 0.022 0.000 2.132 67 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.234 67 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.234 67 G C 0.224 175.129 174.900 0.008 0.000 0.989 67 G CA -0.022 45.086 45.100 0.013 0.000 0.676 67 G HN 0.285 nan 8.290 nan 0.000 0.522 68 V N 0.718 120.639 119.914 0.012 0.000 2.481 68 V HA 0.658 4.776 4.120 -0.004 0.000 0.286 68 V C -0.235 175.847 176.094 -0.020 0.000 1.042 68 V CA -0.262 62.040 62.300 0.003 0.000 0.928 68 V CB 1.901 33.736 31.823 0.020 0.000 0.986 68 V HN 0.347 nan 8.190 nan 0.000 0.462 69 D N 3.152 123.532 120.400 -0.033 0.000 2.620 69 D HA 0.344 4.982 4.640 -0.004 0.000 0.252 69 D C 0.500 176.757 176.300 -0.071 0.000 1.207 69 D CA -0.469 53.495 54.000 -0.060 0.000 0.884 69 D CB 1.854 42.625 40.800 -0.049 0.000 1.262 69 D HN 0.327 nan 8.370 nan 0.000 0.552 70 L N 2.886 124.041 121.223 -0.113 0.000 2.456 70 L HA -0.016 4.322 4.340 -0.004 0.000 0.224 70 L C 1.588 178.403 176.870 -0.091 0.000 1.148 70 L CA 0.401 55.173 54.840 -0.112 0.000 0.825 70 L CB -0.162 41.790 42.059 -0.177 0.000 0.937 70 L HN 0.360 nan 8.230 nan 0.000 0.450 71 N N -0.644 118.005 118.700 -0.085 0.000 2.416 71 N HA -0.076 4.662 4.740 -0.004 0.000 0.177 71 N C 1.810 177.293 175.510 -0.044 0.000 1.036 71 N CA 1.692 54.704 53.050 -0.062 0.000 0.901 71 N CB 0.058 38.509 38.487 -0.060 0.000 0.976 71 N HN 0.411 nan 8.380 nan 0.000 0.444 72 T N -3.083 111.446 114.554 -0.041 0.000 3.022 72 T HA 0.371 4.719 4.350 -0.004 0.000 0.250 72 T C 1.629 176.314 174.700 -0.025 0.000 1.060 72 T CA 0.140 62.223 62.100 -0.029 0.000 1.013 72 T CB 0.278 69.131 68.868 -0.025 0.000 0.982 72 T HN 0.059 nan 8.240 nan 0.000 0.508 73 A N 1.184 123.987 122.820 -0.029 0.000 2.238 73 A HA 0.604 4.922 4.320 -0.004 0.000 0.208 73 A C 1.927 179.499 177.584 -0.019 0.000 1.177 73 A CA 0.374 52.398 52.037 -0.022 0.000 0.804 73 A CB -1.131 17.856 19.000 -0.023 0.000 0.823 73 A HN 1.331 nan 8.150 nan 0.000 0.482 74 G N -0.905 107.882 108.800 -0.022 0.000 2.198 74 G HA2 -0.177 3.781 3.960 -0.004 0.000 0.257 74 G HA3 -0.177 3.781 3.960 -0.004 0.000 0.257 74 G C 0.009 174.896 174.900 -0.022 0.000 1.042 74 G CA 0.206 45.295 45.100 -0.019 0.000 0.791 74 G HN 0.823 nan 8.290 nan 0.000 0.502 75 L N 0.690 121.895 121.223 -0.029 0.000 2.559 75 L HA 0.428 4.766 4.340 -0.004 0.000 0.274 75 L C 1.541 178.390 176.870 -0.036 0.000 1.205 75 L CA 1.240 56.058 54.840 -0.036 0.000 0.907 75 L CB 1.301 43.332 42.059 -0.047 0.000 1.153 75 L HN 0.802 nan 8.230 nan 0.000 0.490 76 V N 1.894 121.786 119.914 -0.038 0.000 3.548 76 V HA 0.802 4.920 4.120 -0.004 0.000 0.279 76 V C 0.395 176.460 176.094 -0.048 0.000 1.446 76 V CA 0.457 62.737 62.300 -0.034 0.000 1.023 76 V CB -0.310 31.501 31.823 -0.021 0.000 0.820 76 V HN 0.956 nan 8.190 nan 0.000 0.438 77 A N -0.381 122.394 122.820 -0.074 0.000 2.608 77 A HA 0.786 5.104 4.320 -0.004 0.000 0.292 77 A C -1.377 176.106 177.584 -0.169 0.000 1.066 77 A CA -0.343 51.627 52.037 -0.112 0.000 0.676 77 A CB 1.909 20.868 19.000 -0.068 0.000 1.277 77 A HN 0.508 nan 8.150 nan 0.000 0.413 78 V N 1.014 120.759 119.914 -0.282 0.000 2.409 78 V HA 0.686 4.804 4.120 -0.004 0.000 0.291 78 V C 0.719 176.700 176.094 -0.188 0.000 1.020 78 V CA 0.045 62.166 62.300 -0.297 0.000 0.848 78 V CB 1.622 33.152 31.823 -0.487 0.000 0.990 78 V HN 1.358 nan 8.190 nan 0.000 0.430 79 G N 3.185 111.875 108.800 -0.183 0.000 2.335 79 G HA2 0.580 4.538 3.960 -0.004 0.000 0.316 79 G HA3 0.580 4.538 3.960 -0.004 0.000 0.316 79 G C -0.657 174.116 174.900 -0.212 0.000 1.129 79 G CA -0.348 44.683 45.100 -0.116 0.000 0.899 79 G HN 0.723 nan 8.290 nan 0.000 0.448 80 H N 2.145 121.182 119.070 -0.054 0.000 2.466 80 H HA 0.304 4.858 4.556 -0.004 0.000 0.338 80 H C -0.088 175.159 175.328 -0.134 0.000 1.091 80 H CA -0.528 55.480 56.048 -0.067 0.000 1.207 80 H CB 2.168 31.893 29.762 -0.063 0.000 1.466 80 H HN 0.342 nan 8.280 nan 0.000 0.493 81 R N 2.151 122.651 120.500 0.001 0.000 2.265 81 R HA 0.360 4.698 4.340 -0.004 0.000 0.314 81 R C -0.668 175.593 176.300 -0.065 0.000 1.053 81 R CA -0.575 55.493 56.100 -0.052 0.000 0.931 81 R CB 1.094 31.385 30.300 -0.014 0.000 1.024 81 R HN 0.217 nan 8.270 nan 0.000 0.457 82 V N 4.072 123.895 119.914 -0.152 0.000 2.487 82 V HA 0.086 4.204 4.120 -0.004 0.000 0.298 82 V C 1.207 177.353 176.094 0.087 0.000 1.028 82 V CA -0.579 61.680 62.300 -0.069 0.000 0.860 82 V CB 1.794 33.513 31.823 -0.173 0.000 0.991 82 V HN 0.640 nan 8.190 nan 0.000 0.427 83 V N 2.539 122.540 119.914 0.145 0.000 2.295 83 V HA -0.111 4.007 4.120 -0.004 0.000 0.246 83 V C 0.858 177.173 176.094 0.369 0.000 1.049 83 V CA 1.642 64.064 62.300 0.203 0.000 1.024 83 V CB -0.398 31.476 31.823 0.085 0.000 0.648 83 V HN 0.863 nan 8.190 nan 0.000 0.447 84 H N -0.644 118.606 119.070 0.301 0.000 2.708 84 H HA 0.468 5.021 4.556 -0.004 0.000 0.320 84 H C 0.650 176.115 175.328 0.229 0.000 0.991 84 H CA 0.163 56.375 56.048 0.274 0.000 1.243 84 H CB 1.571 31.459 29.762 0.211 0.000 1.446 84 H HN 0.153 nan 8.280 nan 0.000 0.502 85 G N 2.484 111.493 108.800 0.348 0.000 3.088 85 G HA2 0.298 4.256 3.960 -0.004 0.000 0.217 85 G HA3 0.298 4.256 3.960 -0.004 0.000 0.217 85 G C 0.923 175.885 174.900 0.104 0.000 1.159 85 G CA 0.330 45.457 45.100 0.045 0.000 0.760 85 G HN 0.980 nan 8.290 nan 0.000 0.550 86 G N 1.061 109.987 108.800 0.210 0.000 2.574 86 G HA2 -0.381 3.577 3.960 -0.004 0.000 0.282 86 G HA3 -0.381 3.577 3.960 -0.004 0.000 0.282 86 G C 0.824 175.851 174.900 0.211 0.000 1.257 86 G CA 0.368 45.468 45.100 -0.002 0.000 0.956 86 G HN 0.316 nan 8.290 nan 0.000 0.560 87 N N -0.012 118.865 118.700 0.296 0.000 2.336 87 N HA 0.130 4.868 4.740 -0.004 0.000 0.189 87 N C 1.929 177.558 175.510 0.199 0.000 1.113 87 N CA 1.518 54.793 53.050 0.375 0.000 0.858 87 N CB 0.260 38.945 38.487 0.330 0.000 0.970 87 N HN 0.701 nan 8.380 nan 0.000 0.471 88 T N -1.994 112.569 114.554 0.015 0.000 2.959 88 T HA 0.301 4.649 4.350 -0.004 0.000 0.254 88 T C -0.580 173.726 174.700 -0.658 0.000 1.003 88 T CA -0.081 61.857 62.100 -0.271 0.000 0.950 88 T CB 0.013 68.647 68.868 -0.390 0.000 1.090 88 T HN -0.097 nan 8.240 nan 0.000 0.503 89 F N 2.551 122.315 119.950 -0.310 0.000 2.403 89 F HA 0.473 4.998 4.527 -0.003 0.000 0.355 89 F C 0.136 175.582 175.800 -0.590 0.000 1.119 89 F CA -1.279 56.313 58.000 -0.678 0.000 1.007 89 F CB 1.475 39.760 39.000 -1.193 0.000 1.194 89 F HN 0.204 nan 8.300 nan 0.000 0.443 90 Y N -0.388 119.783 120.300 -0.216 0.000 2.460 90 Y HA 0.518 5.066 4.550 -0.003 0.000 0.276 90 Y C 0.969 176.923 175.900 0.090 0.000 1.119 90 Y CA -0.467 57.586 58.100 -0.079 0.000 1.181 90 Y CB -0.373 37.954 38.460 -0.222 0.000 1.304 90 Y HN 0.233 nan 8.280 nan 0.000 0.536 91 R N 2.210 122.659 120.500 -0.085 0.000 2.528 91 R HA 0.624 4.962 4.340 -0.004 0.000 0.271 91 R C -2.917 173.497 176.300 0.191 0.000 1.056 91 R CA -2.035 54.109 56.100 0.074 0.000 1.117 91 R CB -1.514 28.765 30.300 -0.034 0.000 1.085 91 R HN 0.113 nan 8.270 nan 0.000 0.530 92 P HA 0.185 nan 4.420 nan 0.000 0.268 92 P C -0.873 176.514 177.300 0.145 0.000 1.204 92 P CA 0.245 63.438 63.100 0.155 0.000 0.768 92 P CB 0.985 32.740 31.700 0.091 0.000 0.842 93 T N 2.483 117.135 114.554 0.164 0.000 2.847 93 T HA 0.255 4.603 4.350 -0.004 0.000 0.291 93 T C -0.141 174.616 174.700 0.096 0.000 0.998 93 T CA -0.521 61.674 62.100 0.159 0.000 0.967 93 T CB 0.666 69.699 68.868 0.274 0.000 0.954 93 T HN -0.000 nan 8.240 nan 0.000 0.441 94 V N 5.260 125.223 119.914 0.081 0.000 2.540 94 V HA 0.117 4.235 4.120 -0.004 0.000 0.297 94 V C 0.424 176.556 176.094 0.062 0.000 1.024 94 V CA -0.070 62.272 62.300 0.069 0.000 1.105 94 V CB -0.101 31.759 31.823 0.061 0.000 0.938 94 V HN 0.688 nan 8.190 nan 0.000 0.482 95 L N 5.613 126.869 121.223 0.056 0.000 2.334 95 L HA 0.614 4.951 4.340 -0.004 0.000 0.277 95 L C -0.007 176.874 176.870 0.019 0.000 1.075 95 L CA -0.187 54.666 54.840 0.021 0.000 0.804 95 L CB 1.455 43.504 42.059 -0.017 0.000 1.174 95 L HN 0.953 nan 8.230 nan 0.000 0.438 96 D N -1.400 119.005 120.400 0.008 0.000 2.752 96 D HA 0.211 4.849 4.640 -0.004 0.000 0.313 96 D C 0.006 176.304 176.300 -0.003 0.000 1.225 96 D CA -0.590 53.413 54.000 0.004 0.000 0.976 96 D CB 0.608 41.420 40.800 0.019 0.000 1.443 96 D HN 0.231 nan 8.370 nan 0.000 0.515 97 D N -0.339 120.061 120.400 -0.001 0.000 2.104 97 D HA -0.125 4.513 4.640 -0.004 0.000 0.194 97 D C 1.921 178.230 176.300 0.015 0.000 0.994 97 D CA 2.308 56.307 54.000 -0.000 0.000 0.830 97 D CB -0.536 40.262 40.800 -0.003 0.000 0.959 97 D HN 0.499 nan 8.370 nan 0.000 0.452 98 A N 0.379 123.214 122.820 0.026 0.000 2.016 98 A HA -0.031 4.287 4.320 -0.004 0.000 0.217 98 A C 2.477 180.104 177.584 0.071 0.000 1.162 98 A CA 0.608 52.670 52.037 0.042 0.000 0.662 98 A CB -0.372 18.652 19.000 0.040 0.000 0.812 98 A HN 0.130 nan 8.150 nan 0.000 0.450 99 V N 0.250 120.206 119.914 0.069 0.000 2.358 99 V HA -0.247 3.871 4.120 -0.004 0.000 0.246 99 V C 2.377 178.488 176.094 0.029 0.000 1.047 99 V CA 1.953 64.303 62.300 0.083 0.000 1.035 99 V CB -0.661 31.197 31.823 0.059 0.000 0.658 99 V HN 0.572 nan 8.190 nan 0.000 0.452 100 I N 0.507 121.087 120.570 0.018 0.000 2.179 100 I HA -0.224 3.944 4.170 -0.004 0.000 0.242 100 I C 2.708 178.929 176.117 0.173 0.000 1.088 100 I CA 1.446 62.767 61.300 0.035 0.000 1.357 100 I CB -0.627 37.384 38.000 0.018 0.000 1.051 100 I HN 0.276 nan 8.210 nan 0.000 0.409 101 A N 0.860 123.757 122.820 0.129 0.000 1.892 101 A HA -0.296 4.021 4.320 -0.004 0.000 0.218 101 A C 2.384 180.075 177.584 0.179 0.000 1.188 101 A CA 2.213 54.319 52.037 0.114 0.000 0.631 101 A CB -0.717 18.296 19.000 0.022 0.000 0.822 101 A HN 0.354 nan 8.150 nan 0.000 0.447 102 R N -0.355 120.239 120.500 0.156 0.000 2.105 102 R HA -0.041 4.297 4.340 -0.004 0.000 0.239 102 R C 1.904 178.334 176.300 0.216 0.000 1.135 102 R CA 1.446 57.663 56.100 0.194 0.000 0.967 102 R CB -0.501 29.954 30.300 0.257 0.000 0.861 102 R HN 0.530 nan 8.270 nan 0.000 0.442 103 L N -0.536 120.763 121.223 0.125 0.000 2.191 103 L HA -0.185 4.153 4.340 -0.004 0.000 0.212 103 L C 1.888 178.775 176.870 0.028 0.000 1.103 103 L CA 1.290 56.142 54.840 0.020 0.000 0.769 103 L CB -0.421 41.561 42.059 -0.128 0.000 0.908 103 L HN 0.361 nan 8.230 nan 0.000 0.438 104 H N -0.407 118.682 119.070 0.032 0.000 2.489 104 H HA -0.149 4.405 4.556 -0.004 0.000 0.293 104 H C 1.964 177.317 175.328 0.042 0.000 1.066 104 H CA 1.004 57.068 56.048 0.028 0.000 1.305 104 H CB 0.028 29.800 29.762 0.016 0.000 1.386 104 H HN 0.349 nan 8.280 nan 0.000 0.551 105 E N -0.040 120.258 120.200 0.163 0.000 2.472 105 E HA -0.074 4.274 4.350 -0.004 0.000 0.200 105 E C 1.105 177.758 176.600 0.088 0.000 1.046 105 E CA 0.314 56.787 56.400 0.121 0.000 0.871 105 E CB 0.141 29.913 29.700 0.120 0.000 0.806 105 E HN 0.507 nan 8.360 nan 0.000 0.533 106 L N -0.376 120.889 121.223 0.071 0.000 2.554 106 L HA 0.041 4.379 4.340 -0.004 0.000 0.225 106 L C 2.065 178.928 176.870 -0.013 0.000 1.104 106 L CA 0.031 54.885 54.840 0.024 0.000 0.866 106 L CB 0.257 42.344 42.059 0.047 0.000 1.047 106 L HN -0.048 nan 8.230 nan 0.000 0.468 107 S N 0.125 115.832 115.700 0.011 0.000 2.440 107 S HA -0.244 4.224 4.470 -0.004 0.000 0.240 107 S C 1.807 176.409 174.600 0.004 0.000 1.014 107 S CA 1.354 59.558 58.200 0.007 0.000 0.980 107 S CB -0.126 63.085 63.200 0.018 0.000 0.775 107 S HN 0.405 nan 8.310 nan 0.000 0.499 108 E N 1.009 121.214 120.200 0.008 0.000 2.077 108 E HA -0.081 4.266 4.350 -0.004 0.000 0.193 108 E C 1.754 178.342 176.600 -0.020 0.000 0.989 108 E CA 0.974 57.379 56.400 0.009 0.000 0.800 108 E CB -0.140 29.583 29.700 0.039 0.000 0.746 108 E HN 0.468 nan 8.360 nan 0.000 0.452 109 L N -0.928 120.243 121.223 -0.088 0.000 2.240 109 L HA 0.110 4.448 4.340 -0.004 0.000 0.211 109 L C 0.692 177.508 176.870 -0.091 0.000 1.106 109 L CA 0.710 55.448 54.840 -0.170 0.000 0.793 109 L CB 0.204 41.935 42.059 -0.547 0.000 0.927 109 L HN 0.049 nan 8.230 nan 0.000 0.446 110 A N -1.132 121.665 122.820 -0.038 0.000 3.370 110 A HA 0.451 4.769 4.320 -0.004 0.000 0.295 110 A C -2.086 175.534 177.584 0.060 0.000 1.030 110 A CA -0.695 51.381 52.037 0.066 0.000 0.883 110 A CB 0.006 19.103 19.000 0.162 0.000 1.191 110 A HN -0.072 nan 8.150 nan 0.000 0.507 111 P HA -0.012 nan 4.420 nan 0.000 0.223 111 P C 1.770 179.065 177.300 -0.009 0.000 1.151 111 P CA 1.593 64.700 63.100 0.013 0.000 0.787 111 P CB 0.118 31.823 31.700 0.009 0.000 0.788 112 L N -1.596 119.610 121.223 -0.028 0.000 2.209 112 L HA 0.038 4.376 4.340 -0.004 0.000 0.207 112 L C 2.493 179.231 176.870 -0.220 0.000 1.094 112 L CA 1.728 56.483 54.840 -0.142 0.000 0.790 112 L CB -2.064 39.873 42.059 -0.204 0.000 0.932 112 L HN 0.107 nan 8.230 nan 0.000 0.447 113 H N -1.324 117.761 119.070 0.025 0.000 2.506 113 H HA 0.062 4.615 4.556 -0.004 0.000 0.289 113 H C 2.066 177.405 175.328 0.019 0.000 1.009 113 H CA 1.051 57.115 56.048 0.026 0.000 1.303 113 H CB 0.312 30.090 29.762 0.026 0.000 1.453 113 H HN 0.502 nan 8.280 nan 0.000 0.526 114 N N 0.881 119.658 118.700 0.128 0.000 2.171 114 N HA -0.074 4.664 4.740 -0.004 0.000 0.184 114 N C -1.061 174.436 175.510 -0.021 0.000 1.021 114 N CA 0.779 53.866 53.050 0.062 0.000 0.854 114 N CB -1.143 37.382 38.487 0.063 0.000 0.994 114 N HN 0.256 nan 8.380 nan 0.000 0.426 115 P HA -0.076 nan 4.420 nan 0.000 0.216 115 P C -1.490 175.746 177.300 -0.108 0.000 1.150 115 P CA 1.753 64.805 63.100 -0.079 0.000 0.837 115 P CB -0.861 30.813 31.700 -0.044 0.000 0.786 116 P HA -0.019 nan 4.420 nan 0.000 0.225 116 P C 1.211 178.415 177.300 -0.160 0.000 1.156 116 P CA 1.258 64.251 63.100 -0.178 0.000 0.787 116 P CB -0.319 31.335 31.700 -0.077 0.000 0.802 117 A N 0.440 123.217 122.820 -0.071 0.000 1.930 117 A HA -0.083 4.235 4.320 -0.004 0.000 0.217 117 A C 2.299 179.821 177.584 -0.103 0.000 1.175 117 A CA 1.109 53.118 52.037 -0.047 0.000 0.627 117 A CB -1.483 17.507 19.000 -0.016 0.000 0.815 117 A HN 0.134 nan 8.150 nan 0.000 0.443 118 L N -0.614 120.519 121.223 -0.150 0.000 2.093 118 L HA -0.137 4.201 4.340 -0.004 0.000 0.208 118 L C 2.485 179.268 176.870 -0.145 0.000 1.085 118 L CA 0.758 55.485 54.840 -0.188 0.000 0.755 118 L CB -0.637 41.241 42.059 -0.302 0.000 0.904 118 L HN 0.328 nan 8.230 nan 0.000 0.435 119 L N -0.002 121.122 121.223 -0.166 0.000 2.012 119 L HA -0.172 4.165 4.340 -0.004 0.000 0.210 119 L C 2.714 179.506 176.870 -0.130 0.000 1.073 119 L CA 1.618 56.349 54.840 -0.181 0.000 0.748 119 L CB -1.224 40.612 42.059 -0.372 0.000 0.891 119 L HN 0.370 nan 8.230 nan 0.000 0.431 120 G N 0.005 108.736 108.800 -0.115 0.000 2.450 120 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.220 120 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.220 120 G C 1.564 176.503 174.900 0.064 0.000 1.130 120 G CA 0.729 45.845 45.100 0.026 0.000 0.760 120 G HN 0.309 nan 8.290 nan 0.000 0.557 121 I N 0.005 120.518 120.570 -0.096 0.000 2.252 121 I HA -0.101 4.067 4.170 -0.004 0.000 0.245 121 I C 2.682 178.694 176.117 -0.175 0.000 1.102 121 I CA 1.154 62.262 61.300 -0.320 0.000 1.385 121 I CB -0.153 37.574 38.000 -0.454 0.000 1.064 121 I HN 0.217 nan 8.210 nan 0.000 0.414 122 E N 0.956 121.090 120.200 -0.111 0.000 2.051 122 E HA -0.185 4.163 4.350 -0.004 0.000 0.192 122 E C 2.331 178.903 176.600 -0.046 0.000 0.991 122 E CA 1.628 57.983 56.400 -0.075 0.000 0.799 122 E CB 0.148 29.824 29.700 -0.041 0.000 0.748 122 E HN 0.276 nan 8.360 nan 0.000 0.449 123 V N 1.540 121.446 119.914 -0.013 0.000 2.261 123 V HA -0.278 3.840 4.120 -0.004 0.000 0.246 123 V C 2.612 178.731 176.094 0.042 0.000 1.047 123 V CA 1.919 64.228 62.300 0.016 0.000 1.015 123 V CB -1.046 30.792 31.823 0.025 0.000 0.642 123 V HN 0.390 nan 8.190 nan 0.000 0.446 124 A N -0.068 122.805 122.820 0.088 0.000 1.948 124 A HA -0.271 4.047 4.320 -0.004 0.000 0.220 124 A C 2.380 180.025 177.584 0.103 0.000 1.177 124 A CA 2.112 54.264 52.037 0.191 0.000 0.636 124 A CB -0.540 18.701 19.000 0.401 0.000 0.815 124 A HN 0.543 nan 8.150 nan 0.000 0.449 125 R N -1.116 119.301 120.500 -0.138 0.000 2.090 125 R HA -0.019 4.319 4.340 -0.004 0.000 0.228 125 R C 2.484 178.736 176.300 -0.080 0.000 1.110 125 R CA 1.103 57.028 56.100 -0.292 0.000 0.973 125 R CB -0.249 29.848 30.300 -0.339 0.000 0.869 125 R HN 0.488 nan 8.270 nan 0.000 0.440 126 R N 0.643 121.128 120.500 -0.025 0.000 2.062 126 R HA -0.042 4.296 4.340 -0.004 0.000 0.231 126 R C 2.185 178.517 176.300 0.053 0.000 1.136 126 R CA 1.195 57.302 56.100 0.012 0.000 0.948 126 R CB -0.283 30.027 30.300 0.016 0.000 0.845 126 R HN 0.210 nan 8.270 nan 0.000 0.430 127 L N 0.603 121.884 121.223 0.097 0.000 2.552 127 L HA 0.031 4.368 4.340 -0.004 0.000 0.227 127 L C 0.694 177.655 176.870 0.152 0.000 1.146 127 L CA 0.562 55.493 54.840 0.151 0.000 0.858 127 L CB 0.083 42.296 42.059 0.256 0.000 0.969 127 L HN 0.148 nan 8.230 nan 0.000 0.451 128 L N 0.676 121.994 121.223 0.158 0.000 2.574 128 L HA 0.221 4.559 4.340 -0.004 0.000 0.258 128 L C -1.725 175.259 176.870 0.190 0.000 1.520 128 L CA -0.594 54.346 54.840 0.166 0.000 0.775 128 L CB 1.328 43.524 42.059 0.229 0.000 1.028 128 L HN -0.178 nan 8.230 nan 0.000 0.516 129 P HA -0.006 nan 4.420 nan 0.000 0.236 129 P C 1.168 178.523 177.300 0.090 0.000 1.177 129 P CA 0.593 63.743 63.100 0.083 0.000 0.773 129 P CB 0.411 32.135 31.700 0.041 0.000 0.878 130 G N -0.290 108.557 108.800 0.079 0.000 3.383 130 G HA2 0.301 4.259 3.960 -0.004 0.000 0.251 130 G HA3 0.301 4.259 3.960 -0.004 0.000 0.251 130 G C 0.216 175.148 174.900 0.054 0.000 1.203 130 G CA 0.082 45.214 45.100 0.053 0.000 0.852 130 G HN 0.115 nan 8.290 nan 0.000 0.531 131 I N 0.477 121.102 120.570 0.091 0.000 2.722 131 I HA 0.489 4.656 4.170 -0.004 0.000 0.295 131 I C 0.141 176.309 176.117 0.084 0.000 1.161 131 I CA -1.501 59.823 61.300 0.040 0.000 1.032 131 I CB 1.683 39.665 38.000 -0.030 0.000 1.244 131 I HN 0.029 nan 8.210 nan 0.000 0.421 132 A N 5.157 127.996 122.820 0.031 0.000 2.462 132 A HA 0.413 4.731 4.320 -0.004 0.000 0.243 132 A C -0.793 176.789 177.584 -0.005 0.000 1.076 132 A CA 0.231 52.314 52.037 0.078 0.000 0.773 132 A CB -0.262 18.764 19.000 0.043 0.000 1.010 132 A HN 0.714 nan 8.150 nan 0.000 0.493 133 H N -0.133 118.975 119.070 0.063 0.000 2.505 133 H HA 0.558 5.112 4.556 -0.004 0.000 0.338 133 H C -0.694 174.684 175.328 0.083 0.000 1.057 133 H CA -0.427 55.686 56.048 0.108 0.000 1.202 133 H CB 1.681 31.523 29.762 0.134 0.000 1.466 133 H HN 0.365 nan 8.280 nan 0.000 0.499 134 V N 1.943 121.967 119.914 0.183 0.000 2.540 134 V HA 0.692 4.810 4.120 -0.004 0.000 0.302 134 V C 0.021 176.157 176.094 0.071 0.000 1.035 134 V CA -0.984 61.373 62.300 0.096 0.000 0.873 134 V CB 1.700 33.550 31.823 0.047 0.000 0.992 134 V HN 0.955 nan 8.190 nan 0.000 0.428 135 A N 4.242 127.042 122.820 -0.034 0.000 2.301 135 A HA 0.864 5.182 4.320 -0.004 0.000 0.312 135 A C -0.667 176.695 177.584 -0.371 0.000 1.182 135 A CA -0.477 51.411 52.037 -0.248 0.000 0.826 135 A CB 1.221 19.978 19.000 -0.404 0.000 1.134 135 A HN 0.726 nan 8.150 nan 0.000 0.501 136 V N 2.142 121.767 119.914 -0.481 0.000 2.656 136 V HA 0.506 4.624 4.120 -0.004 0.000 0.307 136 V C -1.230 174.598 176.094 -0.444 0.000 1.051 136 V CA -0.302 61.813 62.300 -0.308 0.000 0.893 136 V CB 1.509 33.277 31.823 -0.092 0.000 0.999 136 V HN 0.735 nan 8.190 nan 0.000 0.426 137 F N 1.706 121.705 119.950 0.082 0.000 2.444 137 F HA 0.385 4.911 4.527 -0.003 0.000 0.342 137 F C 1.142 177.009 175.800 0.111 0.000 1.121 137 F CA -0.602 57.458 58.000 0.100 0.000 0.997 137 F CB 1.520 40.595 39.000 0.125 0.000 1.130 137 F HN 0.509 nan 8.300 nan 0.000 0.454 138 D N 0.701 121.253 120.400 0.254 0.000 2.263 138 D HA -0.141 4.497 4.640 -0.004 0.000 0.208 138 D C 2.050 178.484 176.300 0.224 0.000 0.971 138 D CA 1.679 55.816 54.000 0.228 0.000 0.867 138 D CB 0.266 41.208 40.800 0.237 0.000 0.929 138 D HN 0.615 nan 8.370 nan 0.000 0.492 139 T N -4.002 110.654 114.554 0.169 0.000 3.081 139 T HA 0.124 4.472 4.350 -0.004 0.000 0.255 139 T C 2.056 176.859 174.700 0.172 0.000 1.113 139 T CA 0.520 62.633 62.100 0.022 0.000 1.082 139 T CB -0.047 68.713 68.868 -0.180 0.000 0.939 139 T HN 0.055 nan 8.240 nan 0.000 0.506 140 G N 1.030 109.976 108.800 0.243 0.000 2.418 140 G HA2 -0.152 3.805 3.960 -0.004 0.000 0.217 140 G HA3 -0.152 3.805 3.960 -0.004 0.000 0.217 140 G C 1.143 176.168 174.900 0.209 0.000 1.158 140 G CA 0.546 45.810 45.100 0.274 0.000 0.771 140 G HN 0.460 nan 8.290 nan 0.000 0.545 141 F N 1.188 121.093 119.950 -0.076 0.000 2.202 141 F HA 0.023 4.548 4.527 -0.002 0.000 0.301 141 F C 1.522 177.100 175.800 -0.372 0.000 1.082 141 F CA 0.632 58.460 58.000 -0.286 0.000 1.313 141 F CB -0.182 38.521 39.000 -0.494 0.000 1.024 141 F HN 0.122 nan 8.300 nan 0.000 0.495 142 F N -1.216 118.667 119.950 -0.113 0.000 2.692 142 F HA 0.121 4.645 4.527 -0.004 0.000 0.303 142 F C 2.070 177.742 175.800 -0.214 0.000 1.114 142 F CA 0.364 58.202 58.000 -0.271 0.000 1.361 142 F CB -1.320 37.548 39.000 -0.220 0.000 1.063 142 F HN 0.073 nan 8.300 nan 0.000 0.550 143 H N 0.405 119.403 119.070 -0.120 0.000 2.421 143 H HA -0.119 4.435 4.556 -0.003 0.000 0.298 143 H C 1.119 176.287 175.328 -0.267 0.000 1.087 143 H CA 1.774 57.694 56.048 -0.212 0.000 1.330 143 H CB -0.055 29.451 29.762 -0.426 0.000 1.388 143 H HN -0.029 nan 8.280 nan 0.000 0.526 144 D N 0.230 120.452 120.400 -0.296 0.000 2.325 144 D HA 0.070 4.708 4.640 -0.004 0.000 0.234 144 D C -0.009 176.135 176.300 -0.260 0.000 1.122 144 D CA -0.039 53.782 54.000 -0.298 0.000 0.850 144 D CB -0.388 40.291 40.800 -0.202 0.000 0.921 144 D HN 0.363 nan 8.370 nan 0.000 0.513 145 L N 1.511 122.583 121.223 -0.251 0.000 2.593 145 L HA 0.017 4.355 4.340 -0.004 0.000 0.287 145 L C -1.701 175.041 176.870 -0.213 0.000 1.243 145 L CA -1.084 53.628 54.840 -0.214 0.000 0.890 145 L CB -0.049 41.880 42.059 -0.217 0.000 1.134 145 L HN -0.117 nan 8.230 nan 0.000 0.502 146 P HA 0.032 nan 4.420 nan 0.000 0.267 146 P C -2.085 175.117 177.300 -0.164 0.000 1.200 146 P CA -0.989 62.018 63.100 -0.155 0.000 0.772 146 P CB 0.096 31.718 31.700 -0.129 0.000 0.855 147 P HA -0.160 nan 4.420 nan 0.000 0.218 147 P C 1.246 178.465 177.300 -0.136 0.000 1.149 147 P CA 1.555 64.567 63.100 -0.147 0.000 0.817 147 P CB -0.335 31.294 31.700 -0.119 0.000 0.785 148 A N -0.040 122.711 122.820 -0.114 0.000 1.986 148 A HA -0.150 4.168 4.320 -0.004 0.000 0.220 148 A C 2.220 179.731 177.584 -0.122 0.000 1.171 148 A CA 2.238 54.215 52.037 -0.100 0.000 0.640 148 A CB -1.373 17.578 19.000 -0.081 0.000 0.811 148 A HN 0.254 nan 8.150 nan 0.000 0.451 149 A N -1.311 121.418 122.820 -0.152 0.000 2.063 149 A HA 0.538 4.856 4.320 -0.004 0.000 0.211 149 A C 2.306 179.736 177.584 -0.256 0.000 1.177 149 A CA 1.169 53.097 52.037 -0.181 0.000 0.759 149 A CB -0.568 18.325 19.000 -0.179 0.000 0.857 149 A HN 0.885 nan 8.150 nan 0.000 0.468 150 A N -0.216 122.442 122.820 -0.270 0.000 1.929 150 A HA 0.126 4.444 4.320 -0.004 0.000 0.216 150 A C 1.270 178.619 177.584 -0.391 0.000 1.176 150 A CA 1.434 53.263 52.037 -0.345 0.000 0.628 150 A CB -0.809 18.002 19.000 -0.314 0.000 0.816 150 A HN 0.325 nan 8.150 nan 0.000 0.444 151 T N 1.007 115.395 114.554 -0.278 0.000 2.737 151 T HA 0.431 4.779 4.350 -0.004 0.000 0.296 151 T C -0.548 174.049 174.700 -0.173 0.000 0.922 151 T CA -0.072 61.909 62.100 -0.198 0.000 1.079 151 T CB -0.002 68.799 68.868 -0.112 0.000 0.892 151 T HN 0.223 nan 8.240 nan 0.000 0.514 152 Y N 1.205 121.473 120.300 -0.053 0.000 2.379 152 Y HA 0.373 4.921 4.550 -0.004 0.000 0.337 152 Y C 1.029 176.918 175.900 -0.019 0.000 1.238 152 Y CA -1.107 56.976 58.100 -0.027 0.000 1.405 152 Y CB 0.419 38.872 38.460 -0.011 0.000 1.310 152 Y HN 0.717 nan 8.280 nan 0.000 0.569 153 A N 4.652 127.576 122.820 0.173 0.000 3.091 153 A HA 0.465 4.783 4.320 -0.004 0.000 0.264 153 A C -0.151 177.476 177.584 0.071 0.000 1.673 153 A CA -0.197 51.892 52.037 0.087 0.000 1.362 153 A CB -1.803 17.232 19.000 0.058 0.000 1.137 153 A HN 0.655 nan 8.150 nan 0.000 0.617 154 I N -3.370 117.247 120.570 0.078 0.000 3.108 154 I HA 0.568 4.736 4.170 -0.004 0.000 0.312 154 I C -0.291 175.858 176.117 0.054 0.000 1.095 154 I CA -1.313 60.020 61.300 0.056 0.000 1.000 154 I CB 1.247 39.277 38.000 0.050 0.000 1.229 154 I HN 0.117 nan 8.210 nan 0.000 0.454 155 D N 2.185 122.614 120.400 0.048 0.000 2.661 155 D HA -0.073 4.565 4.640 -0.004 0.000 0.244 155 D C 1.261 177.594 176.300 0.056 0.000 1.196 155 D CA 0.758 54.787 54.000 0.049 0.000 0.881 155 D CB 0.677 41.508 40.800 0.053 0.000 1.141 155 D HN 0.632 nan 8.370 nan 0.000 0.530 156 R N 2.720 123.244 120.500 0.040 0.000 2.122 156 R HA -0.310 4.028 4.340 -0.004 0.000 0.236 156 R C 2.298 178.618 176.300 0.034 0.000 1.129 156 R CA 2.635 58.754 56.100 0.031 0.000 0.925 156 R CB -0.477 29.832 30.300 0.016 0.000 0.850 156 R HN 0.685 nan 8.270 nan 0.000 0.431 157 E N 0.803 121.020 120.200 0.029 0.000 2.070 157 E HA -0.233 4.115 4.350 -0.004 0.000 0.197 157 E C 1.809 178.432 176.600 0.039 0.000 1.004 157 E CA 1.657 58.069 56.400 0.019 0.000 0.805 157 E CB -0.949 28.761 29.700 0.016 0.000 0.744 157 E HN 0.343 nan 8.360 nan 0.000 0.451 158 L N 0.122 121.399 121.223 0.090 0.000 2.083 158 L HA 0.126 4.464 4.340 -0.004 0.000 0.209 158 L C 2.743 179.747 176.870 0.223 0.000 1.083 158 L CA 2.163 57.115 54.840 0.186 0.000 0.752 158 L CB -0.554 41.619 42.059 0.190 0.000 0.899 158 L HN 0.380 nan 8.230 nan 0.000 0.433 159 A N -0.857 122.050 122.820 0.144 0.000 1.873 159 A HA -0.179 4.139 4.320 -0.004 0.000 0.215 159 A C 1.982 179.633 177.584 0.111 0.000 1.186 159 A CA 1.720 53.845 52.037 0.146 0.000 0.616 159 A CB -0.750 18.315 19.000 0.108 0.000 0.823 159 A HN 0.490 nan 8.150 nan 0.000 0.442 160 D N -0.712 119.716 120.400 0.047 0.000 2.144 160 D HA -0.147 4.490 4.640 -0.004 0.000 0.199 160 D C 2.036 178.307 176.300 -0.049 0.000 0.984 160 D CA 1.246 55.248 54.000 0.004 0.000 0.834 160 D CB -0.361 40.429 40.800 -0.017 0.000 0.955 160 D HN 0.551 nan 8.370 nan 0.000 0.465 161 R N -0.345 120.080 120.500 -0.124 0.000 2.081 161 R HA -0.140 4.198 4.340 -0.004 0.000 0.235 161 R C 1.166 177.177 176.300 -0.483 0.000 1.131 161 R CA 1.243 57.107 56.100 -0.393 0.000 0.960 161 R CB -0.182 29.751 30.300 -0.611 0.000 0.856 161 R HN 0.229 nan 8.270 nan 0.000 0.436 162 W N 0.760 122.092 121.300 0.053 0.000 3.132 162 W HA 0.284 4.942 4.660 -0.003 0.000 0.364 162 W C -0.116 176.462 176.519 0.098 0.000 1.129 162 W CA -0.643 56.741 57.345 0.065 0.000 1.815 162 W CB 0.827 30.322 29.460 0.059 0.000 1.099 162 W HN 0.047 nan 8.180 nan 0.000 0.605 163 Q N 0.119 120.057 119.800 0.231 0.000 2.478 163 Q HA -0.204 4.134 4.340 -0.004 0.000 0.286 163 Q C -0.373 175.801 176.000 0.290 0.000 1.299 163 Q CA 0.970 56.911 55.803 0.230 0.000 0.826 163 Q CB -2.447 26.442 28.738 0.252 0.000 1.199 163 Q HN 0.465 nan 8.270 nan 0.000 0.451 164 I N 1.561 122.277 120.570 0.242 0.000 2.352 164 I HA 0.277 4.445 4.170 -0.004 0.000 0.290 164 I C 0.966 177.163 176.117 0.133 0.000 1.036 164 I CA 0.257 61.703 61.300 0.243 0.000 1.336 164 I CB 0.568 38.707 38.000 0.232 0.000 1.407 164 I HN 0.238 nan 8.210 nan 0.000 0.497 165 R N 4.502 125.017 120.500 0.025 0.000 2.741 165 R HA 0.453 4.791 4.340 -0.004 0.000 0.274 165 R C -0.986 175.107 176.300 -0.345 0.000 1.029 165 R CA -1.170 54.785 56.100 -0.243 0.000 0.880 165 R CB 0.850 30.871 30.300 -0.466 0.000 1.264 165 R HN 0.407 nan 8.270 nan 0.000 0.465 166 R N 1.330 121.471 120.500 -0.598 0.000 2.288 166 R HA 0.135 4.473 4.340 -0.004 0.000 0.330 166 R C -0.553 175.495 176.300 -0.421 0.000 1.069 166 R CA 0.042 55.868 56.100 -0.456 0.000 0.941 166 R CB 0.199 30.164 30.300 -0.560 0.000 0.998 166 R HN 0.727 nan 8.270 nan 0.000 0.452 167 Y N 3.566 123.770 120.300 -0.160 0.000 2.262 167 Y HA 0.185 4.733 4.550 -0.003 0.000 0.295 167 Y C 1.404 177.012 175.900 -0.488 0.000 1.121 167 Y CA 1.147 59.069 58.100 -0.296 0.000 1.144 167 Y CB 0.345 38.596 38.460 -0.348 0.000 1.043 167 Y HN 0.932 nan 8.280 nan 0.000 0.528 168 G N 0.056 108.548 108.800 -0.514 0.000 2.722 168 G HA2 -0.161 3.797 3.960 -0.004 0.000 0.686 168 G HA3 -0.161 3.797 3.960 -0.004 0.000 0.686 168 G C -1.079 173.363 174.900 -0.762 0.000 1.282 168 G CA -0.676 44.053 45.100 -0.617 0.000 0.817 168 G HN 0.125 nan 8.290 nan 0.000 0.605 169 F N -1.090 118.880 119.950 0.034 0.000 2.726 169 F HA 0.698 5.223 4.527 -0.003 0.000 0.324 169 F C 1.082 177.004 175.800 0.204 0.000 1.140 169 F CA -0.056 57.984 58.000 0.067 0.000 0.964 169 F CB 1.290 40.188 39.000 -0.169 0.000 1.399 169 F HN 0.838 nan 8.300 nan 0.000 0.491 170 H N -1.277 118.013 119.070 0.367 0.000 2.861 170 H HA -0.172 4.382 4.556 -0.003 0.000 0.289 170 H C 1.453 176.975 175.328 0.323 0.000 1.176 170 H CA 0.129 56.286 56.048 0.182 0.000 1.146 170 H CB -1.302 28.398 29.762 -0.103 0.000 1.330 170 H HN 0.872 nan 8.280 nan 0.000 0.379 171 G N -0.357 108.698 108.800 0.425 0.000 2.440 171 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.218 171 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.218 171 G C 1.633 176.555 174.900 0.035 0.000 1.154 171 G CA 1.430 46.668 45.100 0.230 0.000 0.767 171 G HN 0.484 nan 8.290 nan 0.000 0.552 172 T N 0.508 115.100 114.554 0.064 0.000 2.746 172 T HA -0.140 4.208 4.350 -0.004 0.000 0.267 172 T C 2.646 177.334 174.700 -0.021 0.000 1.039 172 T CA 1.627 63.722 62.100 -0.008 0.000 1.142 172 T CB -0.300 68.576 68.868 0.013 0.000 0.866 172 T HN 0.335 nan 8.240 nan 0.000 0.444 173 S N 0.174 115.884 115.700 0.017 0.000 2.355 173 S HA -0.169 4.299 4.470 -0.004 0.000 0.222 173 S C 1.985 176.570 174.600 -0.025 0.000 1.031 173 S CA 0.952 59.158 58.200 0.011 0.000 0.993 173 S CB -0.435 62.767 63.200 0.003 0.000 0.859 173 S HN 0.557 nan 8.310 nan 0.000 0.453 174 H N 0.870 119.952 119.070 0.020 0.000 2.321 174 H HA -0.024 4.531 4.556 -0.003 0.000 0.300 174 H C 2.540 177.695 175.328 -0.287 0.000 1.087 174 H CA 1.664 57.706 56.048 -0.009 0.000 1.319 174 H CB -0.355 29.531 29.762 0.207 0.000 1.379 174 H HN 0.382 nan 8.280 nan 0.000 0.501 175 R N 0.126 120.251 120.500 -0.625 0.000 2.073 175 R HA -0.180 4.158 4.340 -0.004 0.000 0.234 175 R C 2.282 178.418 176.300 -0.274 0.000 1.134 175 R CA 1.431 57.034 56.100 -0.829 0.000 0.952 175 R CB -0.507 29.115 30.300 -1.130 0.000 0.850 175 R HN 0.293 nan 8.270 nan 0.000 0.433 176 Y N 0.867 121.025 120.300 -0.237 0.000 2.097 176 Y HA -0.278 4.270 4.550 -0.004 0.000 0.282 176 Y C 2.169 178.019 175.900 -0.084 0.000 1.152 176 Y CA 2.034 60.058 58.100 -0.125 0.000 1.136 176 Y CB -0.320 38.087 38.460 -0.089 0.000 0.975 176 Y HN -0.138 nan 8.280 nan 0.000 0.498 177 V N 0.318 120.207 119.914 -0.042 0.000 2.332 177 V HA -0.347 3.771 4.120 -0.004 0.000 0.248 177 V C 2.610 178.636 176.094 -0.114 0.000 1.055 177 V CA 2.103 64.347 62.300 -0.093 0.000 1.038 177 V CB -1.195 30.625 31.823 -0.004 0.000 0.651 177 V HN 0.687 nan 8.190 nan 0.000 0.450 178 S N 0.258 115.912 115.700 -0.076 0.000 2.368 178 S HA -0.275 4.193 4.470 -0.004 0.000 0.225 178 S C 1.798 176.359 174.600 -0.066 0.000 1.030 178 S CA 1.763 59.941 58.200 -0.038 0.000 0.999 178 S CB -0.550 62.657 63.200 0.012 0.000 0.844 178 S HN 0.732 nan 8.310 nan 0.000 0.459 179 E N 1.036 121.163 120.200 -0.122 0.000 2.058 179 E HA -0.158 4.189 4.350 -0.004 0.000 0.194 179 E C 2.549 179.056 176.600 -0.155 0.000 0.997 179 E CA 1.405 57.726 56.400 -0.131 0.000 0.801 179 E CB -0.205 29.402 29.700 -0.155 0.000 0.746 179 E HN 0.515 nan 8.360 nan 0.000 0.450 180 Q N 0.107 119.747 119.800 -0.267 0.000 2.167 180 Q HA -0.067 4.271 4.340 -0.004 0.000 0.202 180 Q C 2.204 178.170 176.000 -0.058 0.000 0.970 180 Q CA 1.255 56.929 55.803 -0.214 0.000 0.855 180 Q CB -0.314 28.209 28.738 -0.357 0.000 0.911 180 Q HN 0.280 nan 8.270 nan 0.000 0.438 181 A N 1.137 123.927 122.820 -0.049 0.000 1.933 181 A HA -0.074 4.244 4.320 -0.004 0.000 0.218 181 A C 2.327 179.960 177.584 0.082 0.000 1.175 181 A CA 1.807 53.860 52.037 0.026 0.000 0.628 181 A CB -0.573 18.430 19.000 0.004 0.000 0.814 181 A HN 0.355 nan 8.150 nan 0.000 0.444 182 A N -0.204 122.636 122.820 0.033 0.000 1.898 182 A HA 0.204 4.522 4.320 -0.004 0.000 0.216 182 A C 2.485 180.092 177.584 0.038 0.000 1.181 182 A CA 1.940 53.998 52.037 0.035 0.000 0.620 182 A CB -0.927 18.080 19.000 0.012 0.000 0.819 182 A HN 1.005 nan 8.150 nan 0.000 0.442 183 A N -1.268 121.569 122.820 0.028 0.000 1.898 183 A HA -0.014 4.304 4.320 -0.004 0.000 0.216 183 A C 2.048 179.662 177.584 0.050 0.000 1.181 183 A CA 1.458 53.509 52.037 0.023 0.000 0.620 183 A CB -0.712 18.290 19.000 0.004 0.000 0.819 183 A HN 0.653 nan 8.150 nan 0.000 0.442 184 F N 0.527 120.458 119.950 -0.032 0.000 2.126 184 F HA -0.129 4.396 4.527 -0.004 0.000 0.299 184 F C 1.704 177.499 175.800 -0.008 0.000 1.096 184 F CA 1.767 59.756 58.000 -0.018 0.000 1.255 184 F CB -0.121 38.869 39.000 -0.016 0.000 0.997 184 F HN 0.126 nan 8.300 nan 0.000 0.479 185 L N -0.134 121.139 121.223 0.083 0.000 2.478 185 L HA -0.056 4.282 4.340 -0.004 0.000 0.223 185 L C 0.363 177.196 176.870 -0.062 0.000 1.140 185 L CA 0.862 55.700 54.840 -0.003 0.000 0.842 185 L CB -0.687 41.426 42.059 0.090 0.000 0.953 185 L HN 0.142 nan 8.230 nan 0.000 0.452 186 D N 1.065 121.430 120.400 -0.059 0.000 2.699 186 D HA -0.206 4.432 4.640 -0.004 0.000 0.239 186 D C 0.030 176.318 176.300 -0.021 0.000 1.136 186 D CA 0.678 54.649 54.000 -0.049 0.000 0.668 186 D CB -0.345 40.409 40.800 -0.076 0.000 1.060 186 D HN 0.311 nan 8.370 nan 0.000 0.429 187 R N 0.010 120.508 120.500 -0.002 0.000 2.725 187 R HA 0.588 4.925 4.340 -0.004 0.000 0.277 187 R C -2.449 173.858 176.300 0.012 0.000 0.987 187 R CA -1.832 54.273 56.100 0.008 0.000 0.901 187 R CB 1.531 31.843 30.300 0.020 0.000 1.207 187 R HN -0.054 nan 8.270 nan 0.000 0.463 188 P HA -0.040 nan 4.420 nan 0.000 0.264 188 P C 0.316 177.627 177.300 0.020 0.000 1.193 188 P CA -0.169 62.939 63.100 0.013 0.000 0.763 188 P CB 0.570 32.277 31.700 0.012 0.000 0.810 189 L N 4.761 125.995 121.223 0.019 0.000 2.131 189 L HA -0.145 4.193 4.340 -0.004 0.000 0.210 189 L C 2.204 179.092 176.870 0.030 0.000 1.092 189 L CA 1.670 56.524 54.840 0.024 0.000 0.759 189 L CB -0.729 41.341 42.059 0.019 0.000 0.903 189 L HN 0.321 nan 8.230 nan 0.000 0.435 190 R N -0.283 120.233 120.500 0.026 0.000 2.148 190 R HA -0.061 4.277 4.340 -0.004 0.000 0.227 190 R C 1.614 177.930 176.300 0.026 0.000 1.103 190 R CA 1.379 57.495 56.100 0.026 0.000 0.983 190 R CB -0.852 29.460 30.300 0.021 0.000 0.874 190 R HN 0.481 nan 8.270 nan 0.000 0.451 191 G N 1.243 110.059 108.800 0.027 0.000 3.233 191 G HA2 0.207 4.165 3.960 -0.004 0.000 0.227 191 G HA3 0.207 4.165 3.960 -0.004 0.000 0.227 191 G C 0.204 175.133 174.900 0.048 0.000 1.175 191 G CA -0.395 44.724 45.100 0.032 0.000 0.781 191 G HN 0.114 nan 8.290 nan 0.000 0.542 192 L N 0.471 121.723 121.223 0.049 0.000 2.325 192 L HA 0.500 4.838 4.340 -0.004 0.000 0.278 192 L C -0.167 176.735 176.870 0.055 0.000 1.023 192 L CA -0.752 54.122 54.840 0.057 0.000 0.811 192 L CB 2.083 44.171 42.059 0.048 0.000 1.249 192 L HN -0.103 nan 8.230 nan 0.000 0.431 193 K N 3.621 124.054 120.400 0.055 0.000 2.292 193 K HA 0.522 4.839 4.320 -0.004 0.000 0.257 193 K C -1.186 175.416 176.600 0.003 0.000 0.940 193 K CA -0.707 55.598 56.287 0.030 0.000 0.811 193 K CB 2.345 34.867 32.500 0.036 0.000 1.120 193 K HN 0.586 nan 8.250 nan 0.000 0.428 194 Q N 1.976 121.783 119.800 0.013 0.000 2.534 194 Q HA 0.556 4.894 4.340 -0.004 0.000 0.290 194 Q C -1.314 174.708 176.000 0.037 0.000 0.991 194 Q CA -0.949 54.865 55.803 0.017 0.000 0.783 194 Q CB 1.406 30.162 28.738 0.029 0.000 1.470 194 Q HN 0.471 nan 8.270 nan 0.000 0.406 195 I N 1.381 121.974 120.570 0.038 0.000 2.465 195 I HA 0.557 4.725 4.170 -0.004 0.000 0.291 195 I C -0.952 175.198 176.117 0.056 0.000 1.014 195 I CA -1.228 60.117 61.300 0.074 0.000 1.093 195 I CB 2.260 40.301 38.000 0.067 0.000 1.267 195 I HN 0.433 nan 8.210 nan 0.000 0.431 196 V N 7.062 127.059 119.914 0.139 0.000 2.680 196 V HA 0.497 4.615 4.120 -0.004 0.000 0.309 196 V C -0.393 175.797 176.094 0.161 0.000 1.052 196 V CA -0.606 61.778 62.300 0.140 0.000 0.908 196 V CB 2.150 34.141 31.823 0.280 0.000 1.001 196 V HN 0.448 nan 8.190 nan 0.000 0.431 197 L N 3.811 125.030 121.223 -0.006 0.000 2.388 197 L HA 0.465 4.803 4.340 -0.004 0.000 0.267 197 L C -0.504 176.385 176.870 0.030 0.000 0.995 197 L CA -0.482 54.353 54.840 -0.007 0.000 0.864 197 L CB 1.024 42.936 42.059 -0.244 0.000 1.216 197 L HN 0.712 nan 8.230 nan 0.000 0.430 198 H N 4.785 123.830 119.070 -0.041 0.000 2.969 198 H HA 0.437 4.991 4.556 -0.003 0.000 0.269 198 H C -0.861 174.422 175.328 -0.075 0.000 1.223 198 H CA -0.263 55.696 56.048 -0.147 0.000 1.400 198 H CB 0.419 29.971 29.762 -0.350 0.000 1.500 198 H HN 0.469 nan 8.280 nan 0.000 0.486 199 L N 5.957 127.104 121.223 -0.126 0.000 2.297 199 L HA 0.479 4.816 4.340 -0.004 0.000 0.277 199 L C 0.761 177.544 176.870 -0.145 0.000 1.040 199 L CA -0.340 54.483 54.840 -0.028 0.000 0.867 199 L CB 1.105 43.214 42.059 0.083 0.000 1.244 199 L HN 0.764 nan 8.230 nan 0.000 0.433 200 G N 1.642 110.395 108.800 -0.079 0.000 3.259 200 G HA2 0.167 4.125 3.960 -0.004 0.000 0.178 200 G HA3 0.167 4.125 3.960 -0.004 0.000 0.178 200 G C 0.253 175.156 174.900 0.004 0.000 1.129 200 G CA -0.294 44.760 45.100 -0.077 0.000 0.816 200 G HN 0.462 nan 8.290 nan 0.000 0.634 201 N N -0.319 118.412 118.700 0.052 0.000 2.142 201 N HA 0.115 4.853 4.740 -0.004 0.000 0.186 201 N C 1.204 176.791 175.510 0.129 0.000 1.023 201 N CA 1.003 54.103 53.050 0.082 0.000 0.852 201 N CB 0.051 38.588 38.487 0.084 0.000 0.998 201 N HN 0.486 nan 8.380 nan 0.000 0.424 202 G N -0.738 108.173 108.800 0.184 0.000 2.425 202 G HA2 0.485 4.443 3.960 -0.004 0.000 0.302 202 G HA3 0.485 4.443 3.960 -0.004 0.000 0.302 202 G C -1.057 174.027 174.900 0.306 0.000 1.159 202 G CA -0.369 44.875 45.100 0.240 0.000 0.865 202 G HN 0.171 nan 8.290 nan 0.000 0.515 203 C N 0.964 120.428 119.300 0.274 0.000 2.441 203 C HA 0.864 5.322 4.460 -0.004 0.000 0.318 203 C C 0.181 175.303 174.990 0.221 0.000 1.222 203 C CA -0.796 58.369 59.018 0.245 0.000 1.474 203 C CB 0.534 28.380 27.740 0.177 0.000 2.125 203 C HN 0.995 nan 8.230 nan 0.000 0.479 204 S N 1.567 117.436 115.700 0.281 0.000 2.579 204 S HA 0.931 5.399 4.470 -0.004 0.000 0.272 204 S C -0.938 173.822 174.600 0.268 0.000 1.141 204 S CA -0.532 57.809 58.200 0.235 0.000 0.843 204 S CB 1.712 65.136 63.200 0.373 0.000 1.122 204 S HN 1.330 nan 8.310 nan 0.000 0.468 205 A N 1.151 124.057 122.820 0.144 0.000 2.356 205 A HA 0.953 5.271 4.320 -0.004 0.000 0.323 205 A C -0.021 177.700 177.584 0.229 0.000 1.119 205 A CA -0.483 51.695 52.037 0.235 0.000 0.790 205 A CB 1.450 20.510 19.000 0.100 0.000 1.273 205 A HN 1.921 nan 8.150 nan 0.000 0.452 206 S N -0.095 115.736 115.700 0.218 0.000 2.595 206 S HA 0.858 5.326 4.470 -0.004 0.000 0.281 206 S C -0.596 174.018 174.600 0.024 0.000 1.117 206 S CA -0.096 58.112 58.200 0.013 0.000 0.873 206 S CB 1.792 64.879 63.200 -0.189 0.000 1.108 206 S HN 2.128 nan 8.310 nan 0.000 0.477 207 A N 1.916 124.579 122.820 -0.260 0.000 2.343 207 A HA 0.833 5.151 4.320 -0.004 0.000 0.316 207 A C -0.813 176.709 177.584 -0.104 0.000 1.104 207 A CA -0.801 51.103 52.037 -0.222 0.000 0.768 207 A CB 0.436 19.132 19.000 -0.507 0.000 1.213 207 A HN 0.872 nan 8.150 nan 0.000 0.456 208 I N 1.764 122.327 120.570 -0.012 0.000 2.499 208 I HA 0.562 4.729 4.170 -0.004 0.000 0.288 208 I C 0.141 176.271 176.117 0.022 0.000 1.048 208 I CA -0.533 60.789 61.300 0.037 0.000 1.062 208 I CB 2.252 40.332 38.000 0.134 0.000 1.238 208 I HN 0.702 nan 8.210 nan 0.000 0.426 209 A N 4.754 127.578 122.820 0.007 0.000 2.291 209 A HA 0.795 5.113 4.320 -0.004 0.000 0.311 209 A C 0.606 178.204 177.584 0.023 0.000 1.224 209 A CA 0.247 52.291 52.037 0.012 0.000 0.821 209 A CB 0.708 19.704 19.000 -0.007 0.000 1.172 209 A HN 1.130 nan 8.150 nan 0.000 0.494 210 G N 2.295 111.117 108.800 0.036 0.000 2.602 210 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.310 210 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.310 210 G C 1.196 176.134 174.900 0.062 0.000 1.183 210 G CA 1.671 46.795 45.100 0.040 0.000 0.979 210 G HN 2.069 nan 8.290 nan 0.000 0.545 211 T N -1.445 113.146 114.554 0.062 0.000 3.069 211 T HA 0.455 4.803 4.350 -0.004 0.000 0.252 211 T C 0.897 175.658 174.700 0.100 0.000 1.053 211 T CA 1.123 63.286 62.100 0.104 0.000 0.964 211 T CB 0.253 69.174 68.868 0.087 0.000 1.005 211 T HN 0.677 nan 8.240 nan 0.000 0.532 212 R N 2.383 122.894 120.500 0.018 0.000 2.437 212 R HA 0.468 4.806 4.340 -0.004 0.000 0.310 212 R C -2.986 173.233 176.300 -0.135 0.000 0.955 212 R CA -2.396 53.646 56.100 -0.096 0.000 0.851 212 R CB 1.505 31.753 30.300 -0.087 0.000 1.161 212 R HN 0.106 nan 8.270 nan 0.000 0.446 213 P HA 0.086 nan 4.420 nan 0.000 0.275 213 P C 0.023 177.231 177.300 -0.155 0.000 1.227 213 P CA -0.139 62.841 63.100 -0.200 0.000 0.781 213 P CB 1.143 32.664 31.700 -0.298 0.000 0.906 214 L N 0.178 121.314 121.223 -0.145 0.000 2.470 214 L HA 0.307 4.645 4.340 -0.004 0.000 0.219 214 L C 0.731 177.463 176.870 -0.229 0.000 1.071 214 L CA 0.823 55.559 54.840 -0.173 0.000 0.850 214 L CB -0.010 41.956 42.059 -0.156 0.000 1.040 214 L HN 0.403 nan 8.230 nan 0.000 0.475 215 D N -1.825 118.393 120.400 -0.304 0.000 2.694 215 D HA 0.343 4.981 4.640 -0.004 0.000 0.260 215 D C -1.311 174.737 176.300 -0.420 0.000 1.250 215 D CA -0.008 53.770 54.000 -0.370 0.000 0.763 215 D CB 2.417 42.959 40.800 -0.430 0.000 1.311 215 D HN -0.233 nan 8.370 nan 0.000 0.420 216 T N -0.954 113.403 114.554 -0.328 0.000 2.840 216 T HA 0.398 4.746 4.350 -0.004 0.000 0.317 216 T C 0.706 175.349 174.700 -0.094 0.000 1.401 216 T CA 0.269 62.174 62.100 -0.324 0.000 1.028 216 T CB 1.085 69.353 68.868 -1.001 0.000 1.317 216 T HN 0.290 nan 8.240 nan 0.000 0.495 217 S N 2.546 118.219 115.700 -0.045 0.000 2.446 217 S HA 0.260 4.728 4.470 -0.004 0.000 0.225 217 S C 0.983 175.551 174.600 -0.054 0.000 1.016 217 S CA 0.006 58.161 58.200 -0.074 0.000 0.943 217 S CB -0.401 62.526 63.200 -0.456 0.000 0.786 217 S HN 0.661 nan 8.310 nan 0.000 0.508 218 M N 1.456 121.037 119.600 -0.031 0.000 2.228 218 M HA 0.504 4.982 4.480 -0.004 0.000 0.326 218 M C 1.097 177.462 176.300 0.108 0.000 1.122 218 M CA 0.116 55.471 55.300 0.092 0.000 1.161 218 M CB 0.987 33.730 32.600 0.237 0.000 1.437 218 M HN 0.387 nan 8.290 nan 0.000 0.465 219 G N 0.277 109.226 108.800 0.248 0.000 3.356 219 G HA2 0.315 4.273 3.960 -0.004 0.000 0.178 219 G HA3 0.315 4.273 3.960 -0.004 0.000 0.178 219 G C 0.254 175.404 174.900 0.417 0.000 1.175 219 G CA -0.489 44.780 45.100 0.283 0.000 0.840 219 G HN 0.651 nan 8.290 nan 0.000 0.658 220 L N 0.908 122.429 121.223 0.495 0.000 2.043 220 L HA 0.125 4.463 4.340 -0.004 0.000 0.212 220 L C 1.539 178.806 176.870 0.662 0.000 1.075 220 L CA 2.688 57.876 54.840 0.580 0.000 0.752 220 L CB -0.635 41.682 42.059 0.430 0.000 0.891 220 L HN 0.713 nan 8.230 nan 0.000 0.432 221 T N -6.230 108.618 114.554 0.491 0.000 2.864 221 T HA 0.489 4.837 4.350 -0.004 0.000 0.289 221 T C -2.358 172.393 174.700 0.085 0.000 1.082 221 T CA -1.459 60.823 62.100 0.303 0.000 1.009 221 T CB 1.371 70.316 68.868 0.128 0.000 1.234 221 T HN -0.200 nan 8.240 nan 0.000 0.526 222 P HA 0.148 nan 4.420 nan 0.000 0.247 222 P C 1.185 178.409 177.300 -0.126 0.000 1.225 222 P CA -0.152 62.704 63.100 -0.406 0.000 0.768 222 P CB -0.067 31.238 31.700 -0.659 0.000 1.020 223 L N -0.151 121.043 121.223 -0.047 0.000 2.156 223 L HA 0.049 4.387 4.340 -0.004 0.000 0.208 223 L C 0.977 177.859 176.870 0.020 0.000 1.095 223 L CA 1.326 56.158 54.840 -0.013 0.000 0.770 223 L CB -0.893 41.164 42.059 -0.004 0.000 0.914 223 L HN -0.053 nan 8.230 nan 0.000 0.439 224 E N -1.310 118.923 120.200 0.055 0.000 2.390 224 E HA 0.418 4.766 4.350 -0.004 0.000 0.261 224 E C 0.679 177.292 176.600 0.023 0.000 1.076 224 E CA 0.534 56.975 56.400 0.068 0.000 0.905 224 E CB 0.371 30.148 29.700 0.128 0.000 0.984 224 E HN 0.397 nan 8.360 nan 0.000 0.427 225 G N 2.442 111.248 108.800 0.009 0.000 2.846 225 G HA2 -0.238 3.719 3.960 -0.004 0.000 0.225 225 G HA3 -0.238 3.719 3.960 -0.004 0.000 0.225 225 G C -0.429 174.355 174.900 -0.194 0.000 1.285 225 G CA -0.251 44.760 45.100 -0.148 0.000 1.055 225 G HN 0.555 nan 8.290 nan 0.000 0.579 226 L N 1.217 122.256 121.223 -0.307 0.000 2.483 226 L HA 0.404 4.741 4.340 -0.004 0.000 0.275 226 L C 1.260 178.091 176.870 -0.064 0.000 1.220 226 L CA -0.587 54.118 54.840 -0.224 0.000 0.833 226 L CB 0.663 42.581 42.059 -0.234 0.000 1.102 226 L HN 0.422 nan 8.230 nan 0.000 0.490 227 V N 3.460 123.350 119.914 -0.040 0.000 2.637 227 V HA 0.125 4.243 4.120 -0.004 0.000 0.296 227 V C 0.559 176.805 176.094 0.253 0.000 1.046 227 V CA 0.372 62.742 62.300 0.116 0.000 1.066 227 V CB 0.952 32.888 31.823 0.190 0.000 0.968 227 V HN 0.661 nan 8.190 nan 0.000 0.483 228 M N 2.737 122.482 119.600 0.243 0.000 2.788 228 M HA 0.488 4.966 4.480 -0.004 0.000 0.291 228 M C 1.545 177.980 176.300 0.225 0.000 1.213 228 M CA -0.291 55.159 55.300 0.249 0.000 0.768 228 M CB 1.072 33.766 32.600 0.158 0.000 1.766 228 M HN 0.557 nan 8.290 nan 0.000 0.460 229 G N 0.184 109.093 108.800 0.182 0.000 2.491 229 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.218 229 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.218 229 G C 1.234 176.212 174.900 0.131 0.000 1.180 229 G CA 2.118 47.313 45.100 0.159 0.000 0.774 229 G HN 0.810 nan 8.290 nan 0.000 0.562 230 T N -3.286 111.335 114.554 0.111 0.000 3.058 230 T HA 0.405 4.753 4.350 -0.004 0.000 0.278 230 T C 0.778 175.512 174.700 0.057 0.000 0.974 230 T CA -0.462 61.693 62.100 0.091 0.000 0.893 230 T CB 0.502 69.435 68.868 0.108 0.000 1.138 230 T HN 0.193 nan 8.240 nan 0.000 0.529 231 R N 1.373 121.906 120.500 0.056 0.000 2.604 231 R HA 0.564 4.902 4.340 -0.004 0.000 0.287 231 R C 1.414 177.746 176.300 0.053 0.000 0.970 231 R CA 0.087 56.203 56.100 0.026 0.000 0.946 231 R CB 1.482 31.788 30.300 0.009 0.000 1.127 231 R HN 0.272 nan 8.270 nan 0.000 0.473 232 S N 0.977 116.700 115.700 0.038 0.000 2.406 232 S HA 0.017 4.485 4.470 -0.004 0.000 0.228 232 S C 1.262 175.894 174.600 0.054 0.000 1.020 232 S CA 0.357 58.587 58.200 0.051 0.000 0.965 232 S CB -0.421 62.802 63.200 0.039 0.000 0.798 232 S HN 0.998 nan 8.310 nan 0.000 0.488 233 G N 1.907 110.732 108.800 0.041 0.000 2.569 233 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.259 233 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.259 233 G C -1.048 173.881 174.900 0.048 0.000 1.263 233 G CA -0.060 45.061 45.100 0.035 0.000 0.928 233 G HN 0.477 nan 8.290 nan 0.000 0.572 234 D N 0.476 120.916 120.400 0.067 0.000 2.531 234 D HA 0.436 5.074 4.640 -0.004 0.000 0.239 234 D C 0.503 176.837 176.300 0.057 0.000 1.144 234 D CA 1.251 55.298 54.000 0.079 0.000 0.869 234 D CB 0.886 41.757 40.800 0.117 0.000 1.160 234 D HN 0.743 nan 8.370 nan 0.000 0.484 235 I N 1.170 121.765 120.570 0.042 0.000 2.787 235 I HA 0.057 4.225 4.170 -0.004 0.000 0.294 235 I C -1.013 175.114 176.117 0.016 0.000 1.365 235 I CA -0.886 60.431 61.300 0.028 0.000 1.029 235 I CB 2.214 40.230 38.000 0.027 0.000 1.313 235 I HN 0.042 nan 8.210 nan 0.000 0.431 236 D N 8.252 128.655 120.400 0.005 0.000 2.581 236 D HA 0.030 4.668 4.640 -0.004 0.000 0.238 236 D C -1.740 174.560 176.300 -0.001 0.000 1.145 236 D CA -0.983 53.015 54.000 -0.004 0.000 0.866 236 D CB 1.384 42.172 40.800 -0.019 0.000 1.151 236 D HN 0.259 nan 8.370 nan 0.000 0.500 237 P HA -0.042 nan 4.420 nan 0.000 0.228 237 P C 1.085 178.392 177.300 0.012 0.000 1.151 237 P CA 0.468 63.566 63.100 -0.004 0.000 0.770 237 P CB 0.252 31.938 31.700 -0.023 0.000 0.786 238 S N -0.353 115.354 115.700 0.013 0.000 2.469 238 S HA -0.106 4.362 4.470 -0.004 0.000 0.238 238 S C 1.869 176.513 174.600 0.074 0.000 0.998 238 S CA 1.267 59.487 58.200 0.034 0.000 0.957 238 S CB -1.205 62.001 63.200 0.010 0.000 0.764 238 S HN 0.153 nan 8.310 nan 0.000 0.514 239 V N -0.068 119.881 119.914 0.058 0.000 2.469 239 V HA -0.148 3.970 4.120 -0.004 0.000 0.251 239 V C 2.046 178.222 176.094 0.137 0.000 1.064 239 V CA 1.377 63.741 62.300 0.106 0.000 1.066 239 V CB -1.400 30.467 31.823 0.073 0.000 0.667 239 V HN 0.361 nan 8.190 nan 0.000 0.461 240 V N 0.512 120.479 119.914 0.088 0.000 2.237 240 V HA -0.251 3.867 4.120 -0.004 0.000 0.245 240 V C 2.893 179.042 176.094 0.093 0.000 1.046 240 V CA 2.549 64.892 62.300 0.071 0.000 1.007 240 V CB -0.945 30.902 31.823 0.040 0.000 0.638 240 V HN 0.657 nan 8.190 nan 0.000 0.445 241 S N -1.149 114.620 115.700 0.115 0.000 2.359 241 S HA -0.288 4.180 4.470 -0.004 0.000 0.224 241 S C 2.043 176.783 174.600 0.233 0.000 1.035 241 S CA 2.181 60.481 58.200 0.167 0.000 1.018 241 S CB -0.530 62.763 63.200 0.154 0.000 0.876 241 S HN 0.654 nan 8.310 nan 0.000 0.448 242 Y N 1.495 121.846 120.300 0.085 0.000 2.181 242 Y HA -0.009 4.538 4.550 -0.004 0.000 0.288 242 Y C 1.952 177.899 175.900 0.078 0.000 1.146 242 Y CA 1.729 59.874 58.100 0.075 0.000 1.164 242 Y CB -0.364 38.117 38.460 0.035 0.000 0.982 242 Y HN 0.264 nan 8.280 nan 0.000 0.515 243 L N -1.085 120.186 121.223 0.079 0.000 2.141 243 L HA -0.216 4.122 4.340 -0.004 0.000 0.209 243 L C 2.818 179.651 176.870 -0.061 0.000 1.094 243 L CA 1.062 55.889 54.840 -0.021 0.000 0.763 243 L CB -0.661 41.433 42.059 0.058 0.000 0.908 243 L HN 0.488 nan 8.230 nan 0.000 0.437 244 C N -0.467 118.814 119.300 -0.032 0.000 2.436 244 C HA -0.212 4.246 4.460 -0.004 0.000 0.277 244 C C 2.829 177.723 174.990 -0.160 0.000 1.241 244 C CA 0.839 59.799 59.018 -0.097 0.000 1.721 244 C CB -0.845 26.825 27.740 -0.117 0.000 2.043 244 C HN 0.507 nan 8.230 nan 0.000 0.472 245 H N -0.237 118.768 119.070 -0.109 0.000 2.495 245 H HA -0.041 4.513 4.556 -0.004 0.000 0.287 245 H C 2.342 177.568 175.328 -0.170 0.000 1.033 245 H CA 1.977 57.955 56.048 -0.117 0.000 1.307 245 H CB -0.090 29.617 29.762 -0.092 0.000 1.401 245 H HN 0.775 nan 8.280 nan 0.000 0.555 246 T N -2.641 111.810 114.554 -0.171 0.000 3.045 246 T HA 0.242 4.590 4.350 -0.004 0.000 0.239 246 T C 2.118 176.733 174.700 -0.141 0.000 1.008 246 T CA 0.425 62.394 62.100 -0.219 0.000 1.143 246 T CB -0.192 68.404 68.868 -0.454 0.000 0.894 246 T HN 0.179 nan 8.240 nan 0.000 0.451 247 A N 0.899 123.639 122.820 -0.133 0.000 2.238 247 A HA 0.615 4.933 4.320 -0.004 0.000 0.210 247 A C 1.999 179.547 177.584 -0.061 0.000 1.179 247 A CA 0.605 52.596 52.037 -0.076 0.000 0.827 247 A CB -1.081 17.887 19.000 -0.054 0.000 0.856 247 A HN 1.410 nan 8.150 nan 0.000 0.488 248 G N -0.797 107.957 108.800 -0.077 0.000 2.225 248 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.267 248 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.267 248 G C 0.177 175.042 174.900 -0.059 0.000 1.024 248 G CA 0.704 45.760 45.100 -0.073 0.000 0.784 248 G HN 0.468 nan 8.290 nan 0.000 0.507 249 M N 0.667 120.236 119.600 -0.052 0.000 2.235 249 M HA 0.463 4.941 4.480 -0.004 0.000 0.351 249 M C 1.279 177.557 176.300 -0.036 0.000 1.178 249 M CA 0.519 55.799 55.300 -0.033 0.000 1.143 249 M CB 0.796 33.386 32.600 -0.017 0.000 1.530 249 M HN 0.252 nan 8.290 nan 0.000 0.461 250 G N 1.676 110.460 108.800 -0.027 0.000 2.507 250 G HA2 0.356 4.314 3.960 -0.004 0.000 0.271 250 G HA3 0.356 4.314 3.960 -0.004 0.000 0.271 250 G C 0.763 175.654 174.900 -0.015 0.000 1.189 250 G CA -0.833 44.251 45.100 -0.027 0.000 0.859 250 G HN 0.648 nan 8.290 nan 0.000 0.542 251 V N 0.928 120.832 119.914 -0.017 0.000 2.332 251 V HA -0.163 3.955 4.120 -0.004 0.000 0.248 251 V C 2.473 178.565 176.094 -0.002 0.000 1.055 251 V CA 2.255 64.549 62.300 -0.010 0.000 1.038 251 V CB -0.412 31.402 31.823 -0.016 0.000 0.651 251 V HN 0.631 nan 8.190 nan 0.000 0.450 252 D N -0.476 119.922 120.400 -0.003 0.000 2.144 252 D HA -0.147 4.490 4.640 -0.004 0.000 0.200 252 D C 2.036 178.345 176.300 0.016 0.000 0.978 252 D CA 1.072 55.076 54.000 0.005 0.000 0.833 252 D CB -0.346 40.455 40.800 0.002 0.000 0.961 252 D HN 0.428 nan 8.370 nan 0.000 0.470 253 D N 0.065 120.473 120.400 0.012 0.000 2.117 253 D HA -0.111 4.527 4.640 -0.004 0.000 0.197 253 D C 2.156 178.472 176.300 0.026 0.000 0.987 253 D CA 0.700 54.711 54.000 0.019 0.000 0.829 253 D CB 0.379 41.184 40.800 0.010 0.000 0.961 253 D HN 0.033 nan 8.370 nan 0.000 0.460 254 V N 1.018 120.944 119.914 0.021 0.000 2.261 254 V HA -0.235 3.883 4.120 -0.004 0.000 0.246 254 V C 2.459 178.567 176.094 0.025 0.000 1.047 254 V CA 1.811 64.127 62.300 0.026 0.000 1.015 254 V CB -0.568 31.270 31.823 0.025 0.000 0.642 254 V HN 0.103 nan 8.190 nan 0.000 0.446 255 E N 0.563 120.775 120.200 0.019 0.000 2.097 255 E HA -0.242 4.106 4.350 -0.004 0.000 0.196 255 E C 2.412 179.020 176.600 0.014 0.000 1.000 255 E CA 1.860 58.268 56.400 0.012 0.000 0.804 255 E CB -0.537 29.170 29.700 0.011 0.000 0.740 255 E HN 0.510 nan 8.360 nan 0.000 0.454 256 S N -0.944 114.785 115.700 0.047 0.000 2.383 256 S HA -0.121 4.346 4.470 -0.004 0.000 0.227 256 S C 1.917 176.577 174.600 0.100 0.000 1.026 256 S CA 1.398 59.663 58.200 0.109 0.000 0.981 256 S CB -0.346 62.931 63.200 0.129 0.000 0.818 256 S HN 0.416 nan 8.310 nan 0.000 0.472 257 M N 1.119 120.757 119.600 0.064 0.000 2.108 257 M HA -0.046 4.432 4.480 -0.004 0.000 0.261 257 M C 1.827 178.146 176.300 0.032 0.000 1.066 257 M CA 1.632 56.966 55.300 0.056 0.000 1.107 257 M CB -0.987 31.641 32.600 0.046 0.000 1.356 257 M HN 0.427 nan 8.290 nan 0.000 0.406 258 L N -0.284 120.944 121.223 0.009 0.000 2.201 258 L HA -0.195 4.143 4.340 -0.004 0.000 0.212 258 L C 1.732 178.568 176.870 -0.058 0.000 1.105 258 L CA 1.167 56.002 54.840 -0.008 0.000 0.775 258 L CB -0.719 41.339 42.059 -0.002 0.000 0.913 258 L HN 0.407 nan 8.230 nan 0.000 0.440 259 N N -1.820 116.790 118.700 -0.150 0.000 2.368 259 N HA -0.056 4.682 4.740 -0.004 0.000 0.176 259 N C 1.458 176.696 175.510 -0.453 0.000 1.021 259 N CA 0.606 53.433 53.050 -0.372 0.000 0.888 259 N CB 0.281 38.396 38.487 -0.619 0.000 0.995 259 N HN 0.316 nan 8.380 nan 0.000 0.437 260 H N -1.457 117.637 119.070 0.039 0.000 3.241 260 H HA 0.328 4.882 4.556 -0.003 0.000 0.260 260 H C 0.536 175.887 175.328 0.039 0.000 1.084 260 H CA 0.135 56.206 56.048 0.038 0.000 1.203 260 H CB 0.992 30.771 29.762 0.028 0.000 1.524 260 H HN 0.007 nan 8.280 nan 0.000 0.521 261 R N 0.670 121.241 120.500 0.119 0.000 2.629 261 R HA 0.336 4.673 4.340 -0.004 0.000 0.386 261 R C -0.145 176.194 176.300 0.066 0.000 1.071 261 R CA 0.037 56.190 56.100 0.088 0.000 1.104 261 R CB 1.065 31.412 30.300 0.079 0.000 1.370 261 R HN -0.031 nan 8.270 nan 0.000 0.574 262 S N -1.546 114.191 115.700 0.061 0.000 3.137 262 S HA 0.709 5.176 4.470 -0.004 0.000 0.292 262 S C 0.478 175.123 174.600 0.075 0.000 1.041 262 S CA -0.083 58.153 58.200 0.060 0.000 0.956 262 S CB 1.072 64.300 63.200 0.047 0.000 1.360 262 S HN 0.411 nan 8.310 nan 0.000 0.690 263 G N 0.692 109.544 108.800 0.086 0.000 2.614 263 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.303 263 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.303 263 G C 0.905 175.881 174.900 0.126 0.000 1.270 263 G CA 0.384 45.558 45.100 0.123 0.000 0.988 263 G HN 0.857 nan 8.290 nan 0.000 0.551 264 V N 0.062 120.065 119.914 0.148 0.000 2.343 264 V HA -0.150 3.968 4.120 -0.004 0.000 0.247 264 V C 2.972 179.108 176.094 0.070 0.000 1.051 264 V CA 2.431 64.798 62.300 0.112 0.000 1.036 264 V CB -0.768 31.126 31.823 0.119 0.000 0.654 264 V HN 0.857 nan 8.190 nan 0.000 0.451 265 V N 0.887 120.846 119.914 0.074 0.000 2.427 265 V HA -0.132 3.986 4.120 -0.004 0.000 0.248 265 V C 2.428 178.552 176.094 0.050 0.000 1.051 265 V CA 2.277 64.610 62.300 0.056 0.000 1.048 265 V CB -0.603 31.257 31.823 0.062 0.000 0.666 265 V HN 0.571 nan 8.190 nan 0.000 0.456 266 G N -0.582 108.253 108.800 0.059 0.000 2.422 266 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.218 266 G HA3 -0.188 3.770 3.960 -0.004 0.000 0.218 266 G C 1.514 176.442 174.900 0.046 0.000 1.146 266 G CA 1.096 46.228 45.100 0.053 0.000 0.769 266 G HN 0.522 nan 8.290 nan 0.000 0.547 267 L N 0.826 122.079 121.223 0.050 0.000 2.209 267 L HA 0.063 4.401 4.340 -0.004 0.000 0.207 267 L C 2.753 179.640 176.870 0.029 0.000 1.094 267 L CA 1.477 56.342 54.840 0.043 0.000 0.790 267 L CB 0.043 42.135 42.059 0.055 0.000 0.932 267 L HN 0.450 nan 8.230 nan 0.000 0.447 268 S N -2.443 113.270 115.700 0.022 0.000 2.604 268 S HA 0.272 4.739 4.470 -0.004 0.000 0.235 268 S C 1.406 176.007 174.600 0.001 0.000 1.043 268 S CA 0.379 58.582 58.200 0.005 0.000 0.997 268 S CB 1.217 64.408 63.200 -0.014 0.000 0.956 268 S HN 0.410 nan 8.310 nan 0.000 0.535 269 G N 0.711 109.518 108.800 0.011 0.000 2.205 269 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.261 269 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.261 269 G C 0.063 174.967 174.900 0.007 0.000 0.980 269 G CA 0.242 45.348 45.100 0.010 0.000 0.632 269 G HN 1.180 nan 8.290 nan 0.000 0.533 270 V N -0.094 119.819 119.914 -0.001 0.000 2.555 270 V HA 0.844 4.962 4.120 -0.004 0.000 0.302 270 V C 1.188 177.290 176.094 0.012 0.000 1.038 270 V CA 0.879 63.176 62.300 -0.005 0.000 0.887 270 V CB 1.447 33.251 31.823 -0.032 0.000 0.991 270 V HN 0.861 nan 8.190 nan 0.000 0.434 271 R N 3.212 123.730 120.500 0.030 0.000 2.087 271 R HA 0.161 4.499 4.340 -0.004 0.000 0.216 271 R C 1.016 177.365 176.300 0.080 0.000 1.114 271 R CA 1.018 57.155 56.100 0.062 0.000 1.002 271 R CB -0.781 29.558 30.300 0.064 0.000 0.903 271 R HN 0.789 nan 8.270 nan 0.000 0.445 272 D N 0.068 120.500 120.400 0.053 0.000 2.402 272 D HA -0.009 4.629 4.640 -0.004 0.000 0.268 272 D C 0.220 176.557 176.300 0.062 0.000 1.294 272 D CA -0.072 53.965 54.000 0.062 0.000 0.945 272 D CB 0.027 40.844 40.800 0.028 0.000 1.112 272 D HN 0.304 nan 8.370 nan 0.000 0.517 273 F N 3.774 123.690 119.950 -0.057 0.000 2.202 273 F HA -0.208 4.317 4.527 -0.004 0.000 0.301 273 F C 2.376 178.120 175.800 -0.093 0.000 1.082 273 F CA 1.278 59.225 58.000 -0.089 0.000 1.313 273 F CB 0.193 39.127 39.000 -0.111 0.000 1.024 273 F HN 0.460 nan 8.300 nan 0.000 0.495 274 R N -0.155 120.393 120.500 0.081 0.000 2.115 274 R HA -0.055 4.283 4.340 -0.004 0.000 0.230 274 R C 2.015 178.275 176.300 -0.066 0.000 1.111 274 R CA 1.078 57.181 56.100 0.005 0.000 0.976 274 R CB -0.736 29.575 30.300 0.018 0.000 0.870 274 R HN 0.144 nan 8.270 nan 0.000 0.445 275 R N 0.466 120.924 120.500 -0.070 0.000 2.189 275 R HA -0.044 4.294 4.340 -0.004 0.000 0.223 275 R C 1.937 178.155 176.300 -0.135 0.000 1.092 275 R CA 0.722 56.770 56.100 -0.086 0.000 0.989 275 R CB -0.348 29.914 30.300 -0.063 0.000 0.876 275 R HN 0.216 nan 8.270 nan 0.000 0.457 276 L N 1.192 122.285 121.223 -0.216 0.000 2.056 276 L HA -0.183 4.154 4.340 -0.004 0.000 0.207 276 L C 2.974 179.682 176.870 -0.269 0.000 1.078 276 L CA 2.135 56.806 54.840 -0.281 0.000 0.749 276 L CB -0.758 41.010 42.059 -0.486 0.000 0.901 276 L HN 0.070 nan 8.230 nan 0.000 0.433 277 R N -0.210 120.121 120.500 -0.282 0.000 2.083 277 R HA -0.202 4.136 4.340 -0.004 0.000 0.237 277 R C 2.101 178.307 176.300 -0.156 0.000 1.137 277 R CA 1.978 57.933 56.100 -0.242 0.000 0.951 277 R CB -1.538 28.638 30.300 -0.208 0.000 0.851 277 R HN 0.626 nan 8.270 nan 0.000 0.434 278 E N 0.432 120.559 120.200 -0.121 0.000 2.058 278 E HA -0.116 4.232 4.350 -0.004 0.000 0.194 278 E C 2.223 178.776 176.600 -0.079 0.000 0.997 278 E CA 1.447 57.795 56.400 -0.086 0.000 0.801 278 E CB -0.218 29.441 29.700 -0.068 0.000 0.746 278 E HN 0.551 nan 8.360 nan 0.000 0.450 279 L N 0.585 121.755 121.223 -0.087 0.000 2.131 279 L HA -0.172 4.166 4.340 -0.004 0.000 0.210 279 L C 2.386 179.215 176.870 -0.069 0.000 1.092 279 L CA 0.720 55.517 54.840 -0.072 0.000 0.759 279 L CB -0.339 41.676 42.059 -0.073 0.000 0.903 279 L HN 0.173 nan 8.230 nan 0.000 0.435 280 I N -0.289 120.226 120.570 -0.092 0.000 2.252 280 I HA -0.241 3.926 4.170 -0.004 0.000 0.245 280 I C 2.314 178.395 176.117 -0.061 0.000 1.102 280 I CA 1.263 62.515 61.300 -0.079 0.000 1.385 280 I CB -0.201 37.728 38.000 -0.117 0.000 1.064 280 I HN 0.244 nan 8.210 nan 0.000 0.414 281 E N 0.311 120.471 120.200 -0.067 0.000 2.208 281 E HA -0.148 4.200 4.350 -0.004 0.000 0.193 281 E C 1.903 178.480 176.600 -0.038 0.000 0.988 281 E CA 1.325 57.694 56.400 -0.050 0.000 0.828 281 E CB 0.001 29.669 29.700 -0.053 0.000 0.763 281 E HN 0.453 nan 8.360 nan 0.000 0.478 282 S N -0.808 114.869 115.700 -0.038 0.000 2.634 282 S HA 0.209 4.677 4.470 -0.004 0.000 0.221 282 S C 1.325 175.910 174.600 -0.025 0.000 0.952 282 S CA 0.224 58.407 58.200 -0.029 0.000 0.930 282 S CB 0.483 63.665 63.200 -0.030 0.000 0.780 282 S HN 0.300 nan 8.310 nan 0.000 0.498 283 G N 1.313 110.098 108.800 -0.025 0.000 2.147 283 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.244 283 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.244 283 G C -0.337 174.553 174.900 -0.016 0.000 1.005 283 G CA 0.015 45.104 45.100 -0.018 0.000 0.713 283 G HN 0.685 nan 8.290 nan 0.000 0.515 284 D N 0.235 120.622 120.400 -0.022 0.000 2.346 284 D HA 0.471 5.109 4.640 -0.004 0.000 0.260 284 D C 1.653 177.945 176.300 -0.014 0.000 1.252 284 D CA 0.765 54.753 54.000 -0.019 0.000 0.895 284 D CB 0.426 41.210 40.800 -0.027 0.000 1.097 284 D HN 0.192 nan 8.370 nan 0.000 0.489 285 G N 3.220 112.016 108.800 -0.006 0.000 2.408 285 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.217 285 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.217 285 G C 1.412 176.315 174.900 0.005 0.000 1.150 285 G CA 0.739 45.840 45.100 0.001 0.000 0.776 285 G HN 0.612 nan 8.290 nan 0.000 0.542 286 A N 1.136 123.957 122.820 0.002 0.000 1.933 286 A HA 0.285 4.603 4.320 -0.004 0.000 0.218 286 A C 2.782 180.369 177.584 0.005 0.000 1.175 286 A CA 2.156 54.197 52.037 0.006 0.000 0.628 286 A CB -0.669 18.334 19.000 0.004 0.000 0.814 286 A HN 0.714 nan 8.150 nan 0.000 0.444 287 A N -0.907 121.907 122.820 -0.010 0.000 1.898 287 A HA -0.152 4.166 4.320 -0.004 0.000 0.216 287 A C 2.148 179.733 177.584 0.001 0.000 1.181 287 A CA 2.018 54.039 52.037 -0.027 0.000 0.620 287 A CB -0.487 18.477 19.000 -0.060 0.000 0.819 287 A HN 0.528 nan 8.150 nan 0.000 0.442 288 Q N -0.406 119.404 119.800 0.015 0.000 2.124 288 Q HA -0.140 4.198 4.340 -0.004 0.000 0.202 288 Q C 1.837 177.892 176.000 0.093 0.000 0.977 288 Q CA 1.835 57.673 55.803 0.059 0.000 0.850 288 Q CB -0.534 28.227 28.738 0.039 0.000 0.901 288 Q HN 0.543 nan 8.270 nan 0.000 0.429 289 L N 0.022 121.280 121.223 0.059 0.000 2.056 289 L HA 0.033 4.371 4.340 -0.004 0.000 0.207 289 L C 2.066 178.981 176.870 0.075 0.000 1.078 289 L CA 2.222 57.096 54.840 0.055 0.000 0.749 289 L CB -1.094 40.986 42.059 0.033 0.000 0.901 289 L HN 0.217 nan 8.230 nan 0.000 0.433 290 A N -1.229 121.637 122.820 0.077 0.000 1.902 290 A HA -0.279 4.039 4.320 -0.004 0.000 0.217 290 A C 2.312 179.990 177.584 0.158 0.000 1.181 290 A CA 1.813 53.908 52.037 0.097 0.000 0.623 290 A CB -1.249 17.785 19.000 0.058 0.000 0.818 290 A HN 0.644 nan 8.150 nan 0.000 0.443 291 Y N 1.758 122.064 120.300 0.010 0.000 2.181 291 Y HA -0.212 4.336 4.550 -0.003 0.000 0.288 291 Y C 2.901 178.906 175.900 0.175 0.000 1.146 291 Y CA 1.856 59.982 58.100 0.042 0.000 1.164 291 Y CB -0.377 38.047 38.460 -0.060 0.000 0.982 291 Y HN 0.426 nan 8.280 nan 0.000 0.515 292 S N -1.374 114.365 115.700 0.065 0.000 2.406 292 S HA -0.116 4.352 4.470 -0.004 0.000 0.228 292 S C 1.967 176.594 174.600 0.044 0.000 1.020 292 S CA 1.134 59.336 58.200 0.002 0.000 0.965 292 S CB -1.025 62.206 63.200 0.052 0.000 0.798 292 S HN 0.203 nan 8.310 nan 0.000 0.488 293 V N 1.257 121.220 119.914 0.081 0.000 2.343 293 V HA -0.091 4.027 4.120 -0.004 0.000 0.247 293 V C 2.111 178.291 176.094 0.145 0.000 1.051 293 V CA 2.074 64.434 62.300 0.102 0.000 1.036 293 V CB -1.094 30.785 31.823 0.093 0.000 0.654 293 V HN 0.583 nan 8.190 nan 0.000 0.451 294 F N 1.400 121.365 119.950 0.025 0.000 2.069 294 F HA -0.240 4.286 4.527 -0.003 0.000 0.298 294 F C 2.473 178.271 175.800 -0.005 0.000 1.113 294 F CA 2.446 60.472 58.000 0.044 0.000 1.214 294 F CB -0.586 38.484 39.000 0.118 0.000 0.978 294 F HN 0.103 nan 8.300 nan 0.000 0.474 295 T N -1.146 113.428 114.554 0.034 0.000 2.674 295 T HA -0.288 4.060 4.350 -0.004 0.000 0.265 295 T C 1.660 176.325 174.700 -0.059 0.000 1.039 295 T CA 1.949 64.003 62.100 -0.076 0.000 1.150 295 T CB -0.743 68.012 68.868 -0.189 0.000 0.864 295 T HN 0.508 nan 8.240 nan 0.000 0.427 296 H N 1.056 120.078 119.070 -0.080 0.000 2.289 296 H HA -0.099 4.455 4.556 -0.004 0.000 0.296 296 H C 2.509 177.800 175.328 -0.061 0.000 1.091 296 H CA 2.130 58.145 56.048 -0.054 0.000 1.274 296 H CB -0.072 29.672 29.762 -0.030 0.000 1.364 296 H HN 0.081 nan 8.280 nan 0.000 0.490 297 R N -0.114 120.374 120.500 -0.020 0.000 2.091 297 R HA -0.110 4.228 4.340 -0.004 0.000 0.238 297 R C 2.269 178.526 176.300 -0.072 0.000 1.136 297 R CA 1.500 57.575 56.100 -0.041 0.000 0.959 297 R CB -0.738 29.554 30.300 -0.015 0.000 0.856 297 R HN 0.447 nan 8.270 nan 0.000 0.437 298 L N 0.565 121.672 121.223 -0.192 0.000 2.093 298 L HA -0.027 4.311 4.340 -0.004 0.000 0.208 298 L C 1.948 178.757 176.870 -0.101 0.000 1.085 298 L CA 1.691 56.427 54.840 -0.174 0.000 0.755 298 L CB -0.390 41.500 42.059 -0.280 0.000 0.904 298 L HN 0.112 nan 8.230 nan 0.000 0.435 299 R N -0.321 120.103 120.500 -0.126 0.000 2.091 299 R HA -0.194 4.144 4.340 -0.004 0.000 0.238 299 R C 2.250 178.450 176.300 -0.167 0.000 1.136 299 R CA 1.870 57.896 56.100 -0.123 0.000 0.959 299 R CB -0.344 29.876 30.300 -0.134 0.000 0.856 299 R HN 0.348 nan 8.270 nan 0.000 0.437 300 K N -0.413 119.847 120.400 -0.232 0.000 2.032 300 K HA -0.183 4.135 4.320 -0.004 0.000 0.209 300 K C 1.898 178.296 176.600 -0.337 0.000 1.048 300 K CA 1.638 57.757 56.287 -0.280 0.000 0.927 300 K CB -0.229 32.082 32.500 -0.315 0.000 0.712 300 K HN 0.179 nan 8.250 nan 0.000 0.441 301 Y N 0.816 120.932 120.300 -0.307 0.000 2.293 301 Y HA -0.132 4.416 4.550 -0.004 0.000 0.291 301 Y C 1.963 177.562 175.900 -0.501 0.000 1.137 301 Y CA 1.055 58.866 58.100 -0.481 0.000 1.202 301 Y CB -0.103 38.069 38.460 -0.479 0.000 0.990 301 Y HN 0.009 nan 8.280 nan 0.000 0.537 302 I N -1.049 119.421 120.570 -0.167 0.000 2.179 302 I HA -0.260 3.908 4.170 -0.004 0.000 0.242 302 I C 2.638 178.699 176.117 -0.093 0.000 1.088 302 I CA 1.514 62.748 61.300 -0.110 0.000 1.357 302 I CB -0.913 37.050 38.000 -0.061 0.000 1.051 302 I HN 0.255 nan 8.210 nan 0.000 0.409 303 G N 0.427 109.156 108.800 -0.118 0.000 2.402 303 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.216 303 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.216 303 G C 1.886 176.735 174.900 -0.084 0.000 1.162 303 G CA 0.771 45.817 45.100 -0.089 0.000 0.777 303 G HN 0.479 nan 8.290 nan 0.000 0.539 304 A N 0.236 122.958 122.820 -0.164 0.000 1.908 304 A HA -0.051 4.267 4.320 -0.004 0.000 0.218 304 A C 2.262 179.903 177.584 0.096 0.000 1.181 304 A CA 1.659 53.624 52.037 -0.119 0.000 0.627 304 A CB -0.601 18.214 19.000 -0.309 0.000 0.818 304 A HN 0.383 nan 8.150 nan 0.000 0.445 305 Y N -0.090 120.179 120.300 -0.052 0.000 2.337 305 Y HA 0.034 4.582 4.550 -0.004 0.000 0.293 305 Y C 2.161 178.042 175.900 -0.032 0.000 1.123 305 Y CA 0.113 58.196 58.100 -0.028 0.000 1.201 305 Y CB -1.006 37.454 38.460 0.001 0.000 1.011 305 Y HN 0.195 nan 8.280 nan 0.000 0.545 306 L N -0.512 120.776 121.223 0.108 0.000 2.013 306 L HA -0.269 4.069 4.340 -0.004 0.000 0.212 306 L C 2.661 179.551 176.870 0.034 0.000 1.073 306 L CA 1.479 56.345 54.840 0.043 0.000 0.753 306 L CB -0.923 41.144 42.059 0.013 0.000 0.890 306 L HN 0.163 nan 8.230 nan 0.000 0.432 307 A N -0.380 122.460 122.820 0.032 0.000 1.898 307 A HA -0.121 4.197 4.320 -0.004 0.000 0.216 307 A C 2.355 179.952 177.584 0.022 0.000 1.181 307 A CA 1.583 53.632 52.037 0.020 0.000 0.620 307 A CB -0.798 18.205 19.000 0.005 0.000 0.819 307 A HN 0.180 nan 8.150 nan 0.000 0.442 308 V N 0.191 120.128 119.914 0.039 0.000 2.287 308 V HA -0.285 3.833 4.120 -0.004 0.000 0.248 308 V C 2.557 178.646 176.094 -0.008 0.000 1.053 308 V CA 2.144 64.449 62.300 0.008 0.000 1.027 308 V CB -0.738 31.079 31.823 -0.010 0.000 0.646 308 V HN 0.574 nan 8.190 nan 0.000 0.447 309 L N -0.687 120.537 121.223 0.002 0.000 2.109 309 L HA 0.140 4.477 4.340 -0.004 0.000 0.207 309 L C 2.208 179.093 176.870 0.025 0.000 1.086 309 L CA 1.229 56.069 54.840 0.001 0.000 0.760 309 L CB -0.783 41.274 42.059 -0.004 0.000 0.910 309 L HN 0.566 nan 8.230 nan 0.000 0.437 310 G N -0.547 108.271 108.800 0.030 0.000 2.990 310 G HA2 -0.394 3.564 3.960 -0.004 0.000 0.225 310 G HA3 -0.394 3.564 3.960 -0.004 0.000 0.225 310 G C 0.277 175.233 174.900 0.094 0.000 1.304 310 G CA 0.622 45.753 45.100 0.051 0.000 0.816 310 G HN 0.525 nan 8.290 nan 0.000 0.528 311 H N 0.810 119.884 119.070 0.007 0.000 2.589 311 H HA 0.714 5.268 4.556 -0.004 0.000 0.351 311 H C -0.999 174.338 175.328 0.015 0.000 1.074 311 H CA 0.293 56.347 56.048 0.011 0.000 1.203 311 H CB 1.974 31.741 29.762 0.008 0.000 1.558 311 H HN 0.190 nan 8.280 nan 0.000 0.522 312 T N 5.338 119.524 114.554 -0.613 0.000 2.840 312 T HA 0.148 4.496 4.350 -0.004 0.000 0.287 312 T C 0.200 174.634 174.700 -0.442 0.000 0.991 312 T CA -0.688 61.183 62.100 -0.383 0.000 0.964 312 T CB 1.232 70.008 68.868 -0.154 0.000 0.954 312 T HN 0.700 nan 8.240 nan 0.000 0.438 313 D N 1.385 121.627 120.400 -0.264 0.000 2.162 313 D HA 0.080 4.718 4.640 -0.004 0.000 0.205 313 D C 0.707 176.984 176.300 -0.039 0.000 0.964 313 D CA 0.940 54.877 54.000 -0.106 0.000 0.847 313 D CB 0.679 41.488 40.800 0.015 0.000 0.988 313 D HN 0.312 nan 8.370 nan 0.000 0.480 314 V N 0.437 120.335 119.914 -0.027 0.000 3.012 314 V HA 0.453 4.570 4.120 -0.004 0.000 0.307 314 V C -1.792 174.295 176.094 -0.011 0.000 1.166 314 V CA -0.758 61.542 62.300 0.001 0.000 0.974 314 V CB 2.648 34.489 31.823 0.030 0.000 1.040 314 V HN -0.115 nan 8.190 nan 0.000 0.428 315 I N 4.277 124.839 120.570 -0.013 0.000 2.466 315 I HA 0.603 4.770 4.170 -0.004 0.000 0.289 315 I C -0.390 175.682 176.117 -0.074 0.000 1.026 315 I CA -0.232 61.034 61.300 -0.057 0.000 1.078 315 I CB 2.307 40.265 38.000 -0.070 0.000 1.249 315 I HN 0.585 nan 8.210 nan 0.000 0.429 316 S N 5.323 120.945 115.700 -0.130 0.000 2.521 316 S HA 0.631 5.099 4.470 -0.004 0.000 0.295 316 S C -0.781 173.699 174.600 -0.199 0.000 1.098 316 S CA -0.520 57.626 58.200 -0.090 0.000 0.999 316 S CB 1.230 64.405 63.200 -0.042 0.000 1.034 316 S HN 0.249 nan 8.310 nan 0.000 0.483 317 F N 1.495 121.431 119.950 -0.022 0.000 2.404 317 F HA 0.697 5.222 4.527 -0.003 0.000 0.339 317 F C 0.998 176.758 175.800 -0.065 0.000 1.105 317 F CA -0.114 57.868 58.000 -0.031 0.000 1.087 317 F CB 1.944 40.927 39.000 -0.028 0.000 1.143 317 F HN 0.458 nan 8.300 nan 0.000 0.491 318 T N 1.275 115.871 114.554 0.070 0.000 2.762 318 T HA 0.704 5.052 4.350 -0.004 0.000 0.301 318 T C -0.844 173.732 174.700 -0.206 0.000 1.299 318 T CA 0.287 62.353 62.100 -0.057 0.000 1.005 318 T CB 1.103 69.930 68.868 -0.068 0.000 1.377 318 T HN 1.431 nan 8.240 nan 0.000 0.504 319 A N -0.302 122.350 122.820 -0.280 0.000 6.624 319 A HA 0.122 4.440 4.320 -0.004 0.000 0.226 319 A C 1.403 178.859 177.584 -0.213 0.000 2.318 319 A CA 1.018 52.831 52.037 -0.372 0.000 0.686 319 A CB -1.874 16.631 19.000 -0.826 0.000 0.893 319 A HN 2.011 nan 8.150 nan 0.000 0.362 320 G N -1.070 107.616 108.800 -0.190 0.000 2.491 320 G HA2 -0.069 3.889 3.960 -0.004 0.000 0.218 320 G HA3 -0.069 3.889 3.960 -0.004 0.000 0.218 320 G C 1.399 176.226 174.900 -0.121 0.000 1.180 320 G CA 1.859 46.885 45.100 -0.125 0.000 0.774 320 G HN 1.016 nan 8.290 nan 0.000 0.562 321 I N 0.973 121.447 120.570 -0.160 0.000 2.277 321 I HA 0.038 4.206 4.170 -0.004 0.000 0.243 321 I C 3.098 179.151 176.117 -0.107 0.000 1.094 321 I CA 0.868 62.059 61.300 -0.181 0.000 1.393 321 I CB -0.455 37.329 38.000 -0.360 0.000 1.078 321 I HN 0.231 nan 8.210 nan 0.000 0.417 322 G N 0.456 109.215 108.800 -0.068 0.000 2.440 322 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.218 322 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.218 322 G C 1.495 176.391 174.900 -0.007 0.000 1.154 322 G CA 0.654 45.773 45.100 0.032 0.000 0.767 322 G HN 0.421 nan 8.290 nan 0.000 0.552 323 E N 0.113 120.288 120.200 -0.043 0.000 2.358 323 E HA 0.013 4.361 4.350 -0.004 0.000 0.195 323 E C 1.495 178.062 176.600 -0.056 0.000 1.010 323 E CA 0.429 56.803 56.400 -0.044 0.000 0.856 323 E CB 0.172 29.841 29.700 -0.051 0.000 0.795 323 E HN 0.363 nan 8.360 nan 0.000 0.504 324 N N -0.168 118.493 118.700 -0.064 0.000 2.266 324 N HA -0.040 4.698 4.740 -0.004 0.000 0.217 324 N C -0.323 175.154 175.510 -0.055 0.000 1.211 324 N CA 0.130 53.146 53.050 -0.056 0.000 0.881 324 N CB 0.850 39.309 38.487 -0.047 0.000 1.153 324 N HN -0.039 nan 8.380 nan 0.000 0.489 325 D N 1.360 121.722 120.400 -0.063 0.000 2.479 325 D HA 0.366 5.004 4.640 -0.004 0.000 0.218 325 D C 0.897 177.159 176.300 -0.062 0.000 1.131 325 D CA -0.256 53.723 54.000 -0.035 0.000 0.916 325 D CB 1.256 42.062 40.800 0.010 0.000 1.022 325 D HN 0.103 nan 8.370 nan 0.000 0.515 326 A N 3.692 126.475 122.820 -0.061 0.000 1.908 326 A HA -0.150 4.168 4.320 -0.004 0.000 0.218 326 A C 2.139 179.696 177.584 -0.044 0.000 1.181 326 A CA 1.906 53.898 52.037 -0.074 0.000 0.627 326 A CB -0.387 18.581 19.000 -0.053 0.000 0.818 326 A HN 0.592 nan 8.150 nan 0.000 0.445 327 A N -0.546 122.275 122.820 0.001 0.000 1.883 327 A HA -0.044 4.274 4.320 -0.004 0.000 0.217 327 A C 2.250 179.921 177.584 0.145 0.000 1.186 327 A CA 1.911 53.981 52.037 0.055 0.000 0.624 327 A CB -1.095 17.919 19.000 0.024 0.000 0.822 327 A HN 0.431 nan 8.150 nan 0.000 0.444 328 V N 0.223 120.246 119.914 0.182 0.000 2.252 328 V HA -0.341 3.777 4.120 -0.004 0.000 0.249 328 V C 2.690 178.821 176.094 0.063 0.000 1.056 328 V CA 2.481 64.930 62.300 0.248 0.000 1.022 328 V CB -0.881 31.095 31.823 0.256 0.000 0.641 328 V HN 0.558 nan 8.190 nan 0.000 0.445 329 R N -0.457 119.925 120.500 -0.197 0.000 2.081 329 R HA -0.182 4.155 4.340 -0.004 0.000 0.235 329 R C 2.534 178.724 176.300 -0.182 0.000 1.131 329 R CA 1.741 57.515 56.100 -0.543 0.000 0.960 329 R CB -0.488 29.274 30.300 -0.896 0.000 0.856 329 R HN 0.464 nan 8.270 nan 0.000 0.436 330 R N 1.068 121.521 120.500 -0.079 0.000 2.073 330 R HA -0.159 4.179 4.340 -0.004 0.000 0.234 330 R C 1.176 177.510 176.300 0.057 0.000 1.134 330 R CA 2.056 58.157 56.100 0.002 0.000 0.952 330 R CB -0.129 30.179 30.300 0.014 0.000 0.850 330 R HN 0.144 nan 8.270 nan 0.000 0.433 331 D N 0.218 120.677 120.400 0.099 0.000 2.224 331 D HA -0.053 4.585 4.640 -0.004 0.000 0.205 331 D C 1.680 178.037 176.300 0.095 0.000 0.965 331 D CA 1.151 55.221 54.000 0.117 0.000 0.852 331 D CB -0.097 40.814 40.800 0.185 0.000 0.947 331 D HN 0.397 nan 8.370 nan 0.000 0.494 332 A N 0.608 123.501 122.820 0.121 0.000 1.933 332 A HA -0.117 4.200 4.320 -0.004 0.000 0.218 332 A C 2.126 179.786 177.584 0.126 0.000 1.175 332 A CA 1.952 54.077 52.037 0.147 0.000 0.628 332 A CB -0.214 18.964 19.000 0.296 0.000 0.814 332 A HN 0.250 nan 8.150 nan 0.000 0.444 333 V N -2.436 117.556 119.914 0.130 0.000 3.432 333 V HA 0.254 4.372 4.120 -0.004 0.000 0.298 333 V C 0.716 176.851 176.094 0.068 0.000 1.464 333 V CA 0.298 62.660 62.300 0.104 0.000 1.046 333 V CB -0.862 31.047 31.823 0.143 0.000 0.887 333 V HN 0.553 nan 8.190 nan 0.000 0.441 334 S N 1.084 116.820 115.700 0.061 0.000 2.573 334 S HA 0.485 4.953 4.470 -0.004 0.000 0.277 334 S C 1.352 175.975 174.600 0.039 0.000 1.346 334 S CA 0.860 59.089 58.200 0.048 0.000 1.034 334 S CB 0.508 63.737 63.200 0.048 0.000 0.879 334 S HN 2.249 nan 8.310 nan 0.000 0.528 335 G N 2.212 111.032 108.800 0.033 0.000 2.160 335 G HA2 -0.231 3.726 3.960 -0.004 0.000 0.251 335 G HA3 -0.231 3.726 3.960 -0.004 0.000 0.251 335 G C 0.262 175.176 174.900 0.022 0.000 1.008 335 G CA 0.577 45.694 45.100 0.027 0.000 0.724 335 G HN 0.757 nan 8.290 nan 0.000 0.514 336 M N -0.628 118.988 119.600 0.025 0.000 2.484 336 M HA 0.236 4.714 4.480 -0.004 0.000 0.307 336 M C 1.556 177.870 176.300 0.022 0.000 1.149 336 M CA 0.043 55.355 55.300 0.021 0.000 0.972 336 M CB 0.380 32.994 32.600 0.023 0.000 1.400 336 M HN 0.176 nan 8.290 nan 0.000 0.508 337 E N 1.534 121.748 120.200 0.023 0.000 2.118 337 E HA -0.186 4.162 4.350 -0.004 0.000 0.195 337 E C 1.347 177.959 176.600 0.020 0.000 0.992 337 E CA 1.305 57.719 56.400 0.023 0.000 0.804 337 E CB -0.018 29.695 29.700 0.023 0.000 0.741 337 E HN 0.517 nan 8.360 nan 0.000 0.458 338 E N 0.038 120.248 120.200 0.017 0.000 2.347 338 E HA -0.077 4.271 4.350 -0.004 0.000 0.196 338 E C 1.506 178.114 176.600 0.014 0.000 1.008 338 E CA 0.439 56.848 56.400 0.015 0.000 0.852 338 E CB 0.032 29.739 29.700 0.012 0.000 0.783 338 E HN 0.316 nan 8.360 nan 0.000 0.505 339 L N -1.045 120.186 121.223 0.013 0.000 2.509 339 L HA 0.189 4.527 4.340 -0.004 0.000 0.222 339 L C 1.459 178.338 176.870 0.014 0.000 1.123 339 L CA 0.536 55.383 54.840 0.011 0.000 0.856 339 L CB 0.189 42.251 42.059 0.006 0.000 0.985 339 L HN 0.265 nan 8.230 nan 0.000 0.456 340 G N 0.745 109.556 108.800 0.019 0.000 2.175 340 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.182 340 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.182 340 G C -0.043 174.871 174.900 0.024 0.000 1.003 340 G CA -0.610 44.503 45.100 0.022 0.000 0.666 340 G HN 0.186 nan 8.290 nan 0.000 0.506 341 I N 1.464 122.050 120.570 0.028 0.000 2.339 341 I HA 0.567 4.735 4.170 -0.004 0.000 0.290 341 I C -0.157 175.984 176.117 0.040 0.000 0.994 341 I CA -1.188 60.134 61.300 0.037 0.000 1.191 341 I CB 2.025 40.052 38.000 0.044 0.000 1.343 341 I HN -0.110 nan 8.210 nan 0.000 0.458 342 V N 7.204 127.143 119.914 0.042 0.000 2.443 342 V HA 0.363 4.481 4.120 -0.004 0.000 0.293 342 V C -0.273 175.848 176.094 0.044 0.000 1.021 342 V CA -0.619 61.705 62.300 0.040 0.000 0.848 342 V CB 1.789 33.632 31.823 0.034 0.000 0.998 342 V HN 0.409 nan 8.190 nan 0.000 0.424 343 L N 3.627 124.875 121.223 0.042 0.000 2.375 343 L HA 0.559 4.897 4.340 -0.004 0.000 0.271 343 L C 0.080 176.968 176.870 0.029 0.000 1.107 343 L CA 0.407 55.270 54.840 0.039 0.000 0.806 343 L CB 1.275 43.355 42.059 0.035 0.000 1.146 343 L HN 0.661 nan 8.230 nan 0.000 0.447 344 D N 2.478 122.893 120.400 0.025 0.000 2.392 344 D HA 0.273 4.911 4.640 -0.004 0.000 0.228 344 D C 0.828 177.136 176.300 0.012 0.000 1.074 344 D CA 0.389 54.401 54.000 0.021 0.000 0.838 344 D CB 1.750 42.565 40.800 0.025 0.000 1.067 344 D HN 0.709 nan 8.370 nan 0.000 0.511 345 E N 3.469 123.675 120.200 0.010 0.000 2.077 345 E HA -0.264 4.083 4.350 -0.004 0.000 0.193 345 E C 2.117 178.718 176.600 0.002 0.000 0.989 345 E CA 2.193 58.595 56.400 0.004 0.000 0.800 345 E CB -0.832 28.872 29.700 0.006 0.000 0.746 345 E HN 0.638 nan 8.360 nan 0.000 0.452 346 R N 0.634 121.138 120.500 0.006 0.000 2.096 346 R HA -0.096 4.242 4.340 -0.004 0.000 0.240 346 R C 2.527 178.829 176.300 0.004 0.000 1.139 346 R CA 2.009 58.112 56.100 0.006 0.000 0.952 346 R CB -0.944 29.361 30.300 0.009 0.000 0.854 346 R HN 0.584 nan 8.270 nan 0.000 0.436 347 R N -0.150 120.355 120.500 0.008 0.000 2.189 347 R HA -0.000 4.338 4.340 -0.004 0.000 0.218 347 R C 1.688 177.984 176.300 -0.007 0.000 1.074 347 R CA 1.096 57.200 56.100 0.007 0.000 0.991 347 R CB -0.124 30.187 30.300 0.018 0.000 0.883 347 R HN 0.491 nan 8.270 nan 0.000 0.457 348 N N 1.187 119.878 118.700 -0.014 0.000 2.449 348 N HA -0.013 4.725 4.740 -0.004 0.000 0.191 348 N C 0.005 175.493 175.510 -0.036 0.000 1.161 348 N CA -0.141 52.888 53.050 -0.034 0.000 0.863 348 N CB 0.011 38.473 38.487 -0.040 0.000 0.980 348 N HN 0.162 nan 8.380 nan 0.000 0.458 349 L N -0.446 120.763 121.223 -0.023 0.000 2.593 349 L HA 0.247 4.585 4.340 -0.004 0.000 0.287 349 L C -2.059 174.795 176.870 -0.027 0.000 1.243 349 L CA -1.174 53.654 54.840 -0.021 0.000 0.890 349 L CB -0.295 41.756 42.059 -0.013 0.000 1.134 349 L HN -0.020 nan 8.230 nan 0.000 0.502 350 P HA 0.212 nan 4.420 nan 0.000 0.269 350 P C 0.593 177.880 177.300 -0.022 0.000 1.209 350 P CA 0.805 63.889 63.100 -0.028 0.000 0.776 350 P CB 0.956 32.641 31.700 -0.025 0.000 0.876 351 G N 0.234 109.020 108.800 -0.023 0.000 2.131 351 G HA2 0.006 3.964 3.960 -0.004 0.000 0.223 351 G HA3 0.006 3.964 3.960 -0.004 0.000 0.223 351 G C 0.304 175.194 174.900 -0.016 0.000 0.990 351 G CA -0.067 45.022 45.100 -0.019 0.000 0.671 351 G HN 0.841 nan 8.290 nan 0.000 0.521 352 A N -0.484 122.324 122.820 -0.019 0.000 2.248 352 A HA 0.903 5.221 4.320 -0.004 0.000 0.316 352 A C 0.312 177.887 177.584 -0.016 0.000 1.101 352 A CA 0.298 52.326 52.037 -0.015 0.000 0.875 352 A CB 1.188 20.179 19.000 -0.015 0.000 1.207 352 A HN 0.858 nan 8.150 nan 0.000 0.504 353 K N -0.391 120.003 120.400 -0.010 0.000 2.498 353 K HA 0.542 4.860 4.320 -0.004 0.000 0.254 353 K C -0.114 176.484 176.600 -0.003 0.000 0.933 353 K CA 0.266 56.548 56.287 -0.008 0.000 0.806 353 K CB 1.647 34.146 32.500 -0.001 0.000 1.301 353 K HN 2.307 nan 8.250 nan 0.000 0.432 354 G N 1.326 110.122 108.800 -0.007 0.000 2.796 354 G HA2 -0.034 3.924 3.960 -0.004 0.000 0.571 354 G HA3 -0.034 3.924 3.960 -0.004 0.000 0.571 354 G C -0.519 174.357 174.900 -0.040 0.000 1.370 354 G CA -0.476 44.623 45.100 -0.002 0.000 0.856 354 G HN 0.893 nan 8.290 nan 0.000 0.538 355 A N 0.585 123.374 122.820 -0.051 0.000 2.524 355 A HA 0.647 4.965 4.320 -0.004 0.000 0.250 355 A C 0.979 178.365 177.584 -0.330 0.000 1.078 355 A CA 1.504 53.419 52.037 -0.203 0.000 0.761 355 A CB -0.113 18.794 19.000 -0.155 0.000 1.012 355 A HN 1.850 nan 8.150 nan 0.000 0.500 356 R N 1.759 121.958 120.500 -0.502 0.000 2.663 356 R HA 0.468 4.805 4.340 -0.004 0.000 0.267 356 R C -1.030 175.074 176.300 -0.327 0.000 1.038 356 R CA -0.840 55.052 56.100 -0.347 0.000 0.886 356 R CB 0.966 31.212 30.300 -0.091 0.000 1.249 356 R HN 0.668 nan 8.270 nan 0.000 0.463 357 Q N 2.398 122.152 119.800 -0.077 0.000 2.288 357 Q HA 0.260 4.598 4.340 -0.004 0.000 0.258 357 Q C 0.357 176.371 176.000 0.023 0.000 0.957 357 Q CA -0.323 55.496 55.803 0.027 0.000 0.919 357 Q CB 0.960 29.803 28.738 0.175 0.000 1.185 357 Q HN 0.776 nan 8.270 nan 0.000 0.408 358 I N 0.023 120.606 120.570 0.022 0.000 4.227 358 I HA 0.238 4.406 4.170 -0.004 0.000 0.334 358 I C 0.205 176.344 176.117 0.037 0.000 1.341 358 I CA -0.555 60.757 61.300 0.021 0.000 1.123 358 I CB 0.718 38.718 38.000 0.000 0.000 1.097 358 I HN 0.334 nan 8.210 nan 0.000 0.399 359 S N 1.830 117.562 115.700 0.053 0.000 2.617 359 S HA 0.749 5.217 4.470 -0.004 0.000 0.269 359 S C 0.522 175.151 174.600 0.049 0.000 1.292 359 S CA -0.356 57.877 58.200 0.055 0.000 1.010 359 S CB 1.501 64.740 63.200 0.064 0.000 0.944 359 S HN 0.384 nan 8.310 nan 0.000 0.536 360 A N 1.060 123.906 122.820 0.043 0.000 2.466 360 A HA 0.207 4.525 4.320 -0.004 0.000 0.238 360 A C 0.945 178.555 177.584 0.042 0.000 1.074 360 A CA -0.340 51.720 52.037 0.039 0.000 0.774 360 A CB -0.297 18.723 19.000 0.033 0.000 1.015 360 A HN 0.907 nan 8.150 nan 0.000 0.498 361 D N 0.475 120.898 120.400 0.038 0.000 2.218 361 D HA -0.138 4.500 4.640 -0.004 0.000 0.204 361 D C 0.942 177.263 176.300 0.036 0.000 0.976 361 D CA 1.845 55.868 54.000 0.039 0.000 0.853 361 D CB -0.065 40.755 40.800 0.032 0.000 0.939 361 D HN 0.785 nan 8.370 nan 0.000 0.481 362 D N -0.742 119.677 120.400 0.033 0.000 2.339 362 D HA -0.019 4.619 4.640 -0.004 0.000 0.217 362 D C 0.329 176.649 176.300 0.034 0.000 1.050 362 D CA -0.144 53.874 54.000 0.031 0.000 0.856 362 D CB -0.288 40.528 40.800 0.026 0.000 0.922 362 D HN -0.238 nan 8.370 nan 0.000 0.518 363 S N 1.158 116.881 115.700 0.038 0.000 2.515 363 S HA 0.116 4.584 4.470 -0.004 0.000 0.285 363 S C -1.378 173.246 174.600 0.040 0.000 1.265 363 S CA -1.072 57.151 58.200 0.039 0.000 1.079 363 S CB 0.943 64.169 63.200 0.043 0.000 0.877 363 S HN -0.060 nan 8.310 nan 0.000 0.493 364 P HA 0.004 nan 4.420 nan 0.000 0.217 364 P C -0.225 177.098 177.300 0.038 0.000 1.148 364 P CA 1.118 64.244 63.100 0.044 0.000 0.828 364 P CB 0.111 31.837 31.700 0.042 0.000 0.783 365 I N -1.014 119.571 120.570 0.026 0.000 2.378 365 I HA 0.142 4.310 4.170 -0.004 0.000 0.291 365 I C 0.223 176.359 176.117 0.031 0.000 0.992 365 I CA -0.629 60.677 61.300 0.010 0.000 1.154 365 I CB 1.758 39.754 38.000 -0.008 0.000 1.315 365 I HN -0.284 nan 8.210 nan 0.000 0.448 366 T N 5.581 120.158 114.554 0.037 0.000 2.913 366 T HA 0.384 4.732 4.350 -0.004 0.000 0.297 366 T C -0.122 174.611 174.700 0.056 0.000 1.029 366 T CA -0.303 61.832 62.100 0.058 0.000 1.104 366 T CB 1.249 70.164 68.868 0.079 0.000 0.964 366 T HN 0.239 nan 8.240 nan 0.000 0.532 367 V N 4.094 124.051 119.914 0.071 0.000 2.577 367 V HA 0.548 4.666 4.120 -0.004 0.000 0.303 367 V C -0.447 175.691 176.094 0.074 0.000 1.042 367 V CA -0.825 61.529 62.300 0.090 0.000 0.872 367 V CB 1.508 33.416 31.823 0.141 0.000 0.998 367 V HN 0.689 nan 8.190 nan 0.000 0.423 368 L N 3.939 125.198 121.223 0.060 0.000 2.333 368 L HA 0.731 5.069 4.340 -0.004 0.000 0.263 368 L C -0.774 176.120 176.870 0.040 0.000 1.014 368 L CA -1.126 53.693 54.840 -0.034 0.000 0.820 368 L CB 2.446 44.411 42.059 -0.156 0.000 1.352 368 L HN 0.308 nan 8.230 nan 0.000 0.421 369 V N 2.121 122.008 119.914 -0.045 0.000 2.427 369 V HA 0.422 4.540 4.120 -0.004 0.000 0.286 369 V C -0.296 175.733 176.094 -0.108 0.000 1.034 369 V CA -0.488 61.801 62.300 -0.019 0.000 0.893 369 V CB 1.867 33.670 31.823 -0.034 0.000 0.982 369 V HN 0.427 nan 8.190 nan 0.000 0.452 370 V N 7.073 126.950 119.914 -0.062 0.000 2.419 370 V HA 0.345 4.463 4.120 -0.004 0.000 0.287 370 V C -2.523 173.558 176.094 -0.022 0.000 1.017 370 V CA -1.805 60.450 62.300 -0.076 0.000 0.844 370 V CB 1.709 33.482 31.823 -0.083 0.000 1.011 370 V HN 0.716 nan 8.190 nan 0.000 0.429 371 P HA 0.188 nan 4.420 nan 0.000 0.269 371 P C 0.015 177.372 177.300 0.096 0.000 1.209 371 P CA 0.356 63.467 63.100 0.019 0.000 0.776 371 P CB 0.625 32.333 31.700 0.014 0.000 0.876 372 T N 2.055 116.646 114.554 0.062 0.000 2.934 372 T HA 0.403 4.750 4.350 -0.004 0.000 0.283 372 T C -0.330 174.350 174.700 -0.032 0.000 1.005 372 T CA -0.337 61.826 62.100 0.105 0.000 1.041 372 T CB -0.064 68.828 68.868 0.040 0.000 1.042 372 T HN 0.262 nan 8.240 nan 0.000 0.505 373 N N 2.249 120.778 118.700 -0.285 0.000 2.751 373 N HA 0.182 4.920 4.740 -0.004 0.000 0.234 373 N C 0.482 175.680 175.510 -0.521 0.000 1.403 373 N CA -0.232 52.573 53.050 -0.409 0.000 0.747 373 N CB 0.936 39.191 38.487 -0.386 0.000 1.326 373 N HN 0.696 nan 8.380 nan 0.000 0.532 374 E N 0.377 120.412 120.200 -0.275 0.000 2.077 374 E HA -0.179 4.169 4.350 -0.004 0.000 0.193 374 E C 0.580 177.072 176.600 -0.180 0.000 0.989 374 E CA 1.493 57.774 56.400 -0.199 0.000 0.800 374 E CB 0.404 30.056 29.700 -0.079 0.000 0.746 374 E HN 0.489 nan 8.360 nan 0.000 0.452 375 E N 0.492 120.599 120.200 -0.154 0.000 2.072 375 E HA -0.171 4.177 4.350 -0.004 0.000 0.191 375 E C 1.871 178.396 176.600 -0.125 0.000 0.985 375 E CA 0.517 56.849 56.400 -0.114 0.000 0.801 375 E CB -0.138 29.508 29.700 -0.090 0.000 0.750 375 E HN 0.101 nan 8.360 nan 0.000 0.452 376 L N 0.474 121.592 121.223 -0.175 0.000 2.093 376 L HA -0.045 4.293 4.340 -0.004 0.000 0.208 376 L C 2.029 178.812 176.870 -0.145 0.000 1.085 376 L CA 1.952 56.701 54.840 -0.151 0.000 0.755 376 L CB -0.779 41.184 42.059 -0.160 0.000 0.904 376 L HN 0.112 nan 8.230 nan 0.000 0.435 377 A N -0.293 122.382 122.820 -0.243 0.000 1.902 377 A HA -0.172 4.146 4.320 -0.004 0.000 0.217 377 A C 2.271 179.821 177.584 -0.055 0.000 1.181 377 A CA 2.052 54.015 52.037 -0.123 0.000 0.623 377 A CB -0.845 18.064 19.000 -0.151 0.000 0.818 377 A HN 0.498 nan 8.150 nan 0.000 0.443 378 I N -0.222 120.306 120.570 -0.071 0.000 2.179 378 I HA -0.285 3.883 4.170 -0.004 0.000 0.242 378 I C 2.982 179.079 176.117 -0.033 0.000 1.088 378 I CA 1.043 62.317 61.300 -0.043 0.000 1.357 378 I CB -0.316 37.653 38.000 -0.051 0.000 1.051 378 I HN 0.356 nan 8.210 nan 0.000 0.409 379 A N 0.867 123.662 122.820 -0.042 0.000 1.908 379 A HA -0.238 4.080 4.320 -0.004 0.000 0.218 379 A C 2.378 179.954 177.584 -0.013 0.000 1.181 379 A CA 1.697 53.716 52.037 -0.030 0.000 0.627 379 A CB -0.628 18.352 19.000 -0.032 0.000 0.818 379 A HN 0.338 nan 8.150 nan 0.000 0.445 380 R N -0.488 120.009 120.500 -0.005 0.000 2.120 380 R HA -0.103 4.235 4.340 -0.004 0.000 0.234 380 R C 1.494 177.804 176.300 0.017 0.000 1.123 380 R CA 1.287 57.395 56.100 0.013 0.000 0.975 380 R CB -0.341 29.977 30.300 0.030 0.000 0.866 380 R HN 0.495 nan 8.270 nan 0.000 0.446 381 D N 0.225 120.634 120.400 0.015 0.000 2.144 381 D HA -0.124 4.513 4.640 -0.004 0.000 0.200 381 D C 1.901 178.214 176.300 0.022 0.000 0.978 381 D CA 0.992 55.007 54.000 0.025 0.000 0.833 381 D CB -0.189 40.627 40.800 0.027 0.000 0.961 381 D HN 0.240 nan 8.370 nan 0.000 0.470 382 C N 0.214 119.519 119.300 0.009 0.000 2.432 382 C HA -0.070 4.387 4.460 -0.004 0.000 0.277 382 C C 2.951 177.947 174.990 0.009 0.000 1.249 382 C CA 0.118 59.140 59.018 0.006 0.000 1.725 382 C CB -0.869 26.864 27.740 -0.011 0.000 2.028 382 C HN 0.153 nan 8.230 nan 0.000 0.477 383 V N 0.764 120.682 119.914 0.006 0.000 2.295 383 V HA -0.219 3.899 4.120 -0.004 0.000 0.246 383 V C 2.704 178.807 176.094 0.015 0.000 1.049 383 V CA 2.153 64.458 62.300 0.008 0.000 1.024 383 V CB -0.714 31.112 31.823 0.006 0.000 0.648 383 V HN 0.504 nan 8.190 nan 0.000 0.447 384 R N -0.394 120.118 120.500 0.020 0.000 2.094 384 R HA -0.188 4.150 4.340 -0.004 0.000 0.239 384 R C 2.317 178.633 176.300 0.027 0.000 1.137 384 R CA 2.172 58.288 56.100 0.026 0.000 0.943 384 R CB -0.611 29.708 30.300 0.032 0.000 0.850 384 R HN 0.379 nan 8.270 nan 0.000 0.433 385 V N 0.867 120.799 119.914 0.030 0.000 2.515 385 V HA -0.113 4.005 4.120 -0.004 0.000 0.250 385 V C 1.722 177.834 176.094 0.029 0.000 1.058 385 V CA 1.479 63.799 62.300 0.034 0.000 1.064 385 V CB -0.085 31.763 31.823 0.042 0.000 0.675 385 V HN 0.339 nan 8.190 nan 0.000 0.461 386 L N 0.707 121.945 121.223 0.024 0.000 2.645 386 L HA 0.364 4.701 4.340 -0.004 0.000 0.235 386 L C 1.275 178.157 176.870 0.018 0.000 1.150 386 L CA 0.794 55.647 54.840 0.021 0.000 0.911 386 L CB -0.330 41.739 42.059 0.017 0.000 1.077 386 L HN 0.516 nan 8.230 nan 0.000 0.438 387 G N -0.551 108.261 108.800 0.019 0.000 2.226 387 G HA2 0.090 4.048 3.960 -0.004 0.000 0.176 387 G HA3 0.090 4.048 3.960 -0.004 0.000 0.176 387 G C 0.463 175.372 174.900 0.016 0.000 1.042 387 G CA -0.213 44.898 45.100 0.018 0.000 0.732 387 G HN 0.741 nan 8.290 nan 0.000 0.494 388 G N 0.000 108.810 108.800 0.017 0.000 5.446 388 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 388 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 388 G CA 0.000 45.109 45.100 0.015 0.000 0.502 388 G HN 0.000 nan 8.290 nan 0.000 0.925