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 1jsc_1_A DATA FIRST_RESID 83 DATA SEQUENCE PDMDTSFVGL TGGQIFNEMM SRQNVDTVFG YPGGAILPVY DAIHNSDKFN DATA SEQUENCE FVLPKHEQGA GHMAEGYARA SGKPGVVLVT SGPGATNVVT PMADAFADGI DATA SEQUENCE PMVVFTGQVP TSAIGTDAFQ EADVVGISRS CTKWNVMVKS VEELPLRINE DATA SEQUENCE AFEIATSGRP GPVLVDLPKD VTAAILRNPI PTKTTLPSXX XXXXXXXAQD DATA SEQUENCE EFVMQSINKA ADLINLAKKP VLYVGAGILN HADGPRLLKE LSDRAQIPVT DATA SEQUENCE TTLQGLGSFD QEDPKSLDML GMHGCATANL AVQNADLIIA VGARFDDRVT DATA SEQUENCE GNISKFAPEA RRAAAEGRGG IIHFEVSPKN INKVVQTQIA VEGDATTNLG DATA SEQUENCE KMMSKIFPVK ERSEWFAQIN KWKKEYPYAY MEETPGSKIK PQTVIKKLSK DATA SEQUENCE VANDTGRHVI VTTGVGQHQM WAAQHWTWRN PHTFITSGGL GTMGYGLPAA DATA SEQUENCE IGAQVAKPES LVIDIDGDAS FNMTLTELSS AVQAGTPVKI LILNNEEXXX DATA SEQUENCE XXXXXXXXXX XXXSHTHQLN PDFIKLAEAM GLKGLRVKKQ EELDAKLKEF DATA SEQUENCE VSTKGPVLLE VEVDKK 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 83 P HA 0.000 nan 4.420 nan 0.000 0.216 83 P C 0.000 177.297 177.300 -0.005 0.000 1.155 83 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 83 P CB 0.000 31.701 31.700 0.002 0.000 0.726 84 D N 2.567 122.963 120.400 -0.008 0.000 2.352 84 D HA 0.334 4.974 4.640 0.000 0.000 0.245 84 D C -0.277 176.011 176.300 -0.019 0.000 1.224 84 D CA -0.004 53.988 54.000 -0.014 0.000 0.879 84 D CB 0.445 41.235 40.800 -0.016 0.000 1.057 84 D HN 0.087 nan 8.370 nan 0.000 0.491 85 M N 2.196 121.784 119.600 -0.020 0.000 2.409 85 M HA 0.347 4.827 4.480 0.000 0.000 0.329 85 M C -0.280 175.994 176.300 -0.043 0.000 1.180 85 M CA -0.758 54.527 55.300 -0.024 0.000 1.053 85 M CB 1.397 33.989 32.600 -0.014 0.000 1.586 85 M HN 0.303 nan 8.290 nan 0.000 0.461 86 D N 0.019 120.384 120.400 -0.059 0.000 2.498 86 D HA 0.533 5.173 4.640 0.000 0.000 0.247 86 D C 0.110 176.357 176.300 -0.089 0.000 1.070 86 D CA -0.297 53.643 54.000 -0.100 0.000 0.842 86 D CB 1.545 42.244 40.800 -0.169 0.000 1.361 86 D HN 0.699 nan 8.370 nan 0.000 0.484 87 T N -1.043 113.459 114.554 -0.086 0.000 3.043 87 T HA 0.080 4.430 4.350 0.000 0.000 0.272 87 T C 1.555 176.232 174.700 -0.038 0.000 0.990 87 T CA 0.368 62.443 62.100 -0.042 0.000 0.897 87 T CB -0.257 68.601 68.868 -0.016 0.000 1.111 87 T HN 0.275 nan 8.240 nan 0.000 0.529 88 S N 1.157 116.785 115.700 -0.120 0.000 2.440 88 S HA -0.023 4.448 4.470 0.000 0.000 0.238 88 S C 1.411 176.078 174.600 0.111 0.000 1.010 88 S CA 0.564 58.718 58.200 -0.077 0.000 0.972 88 S CB -1.130 61.960 63.200 -0.184 0.000 0.774 88 S HN 0.648 nan 8.310 nan 0.000 0.501 89 F N 1.319 121.274 119.950 0.009 0.000 2.749 89 F HA 0.289 4.816 4.527 0.000 0.000 0.300 89 F C 0.510 176.318 175.800 0.013 0.000 1.103 89 F CA -0.720 57.288 58.000 0.012 0.000 1.342 89 F CB 0.324 39.333 39.000 0.015 0.000 1.098 89 F HN -0.013 nan 8.300 nan 0.000 0.586 90 V N 1.367 121.389 119.914 0.181 0.000 2.557 90 V HA 0.144 4.264 4.120 0.000 0.000 0.301 90 V C 1.107 177.254 176.094 0.088 0.000 1.026 90 V CA 1.430 63.796 62.300 0.109 0.000 1.137 90 V CB 0.061 31.923 31.823 0.065 0.000 0.917 90 V HN 0.656 nan 8.190 nan 0.000 0.484 91 G N 3.687 112.528 108.800 0.068 0.000 2.232 91 G HA2 -0.185 3.775 3.960 0.000 0.000 0.226 91 G HA3 -0.185 3.775 3.960 0.000 0.000 0.226 91 G C 0.054 174.978 174.900 0.040 0.000 0.996 91 G CA -0.019 45.110 45.100 0.048 0.000 0.626 91 G HN 0.535 nan 8.290 nan 0.000 0.509 92 L N 1.735 122.987 121.223 0.048 0.000 2.454 92 L HA 0.620 4.960 4.340 0.000 0.000 0.256 92 L C 1.416 178.285 176.870 -0.002 0.000 1.136 92 L CA -0.092 54.757 54.840 0.015 0.000 0.804 92 L CB 1.012 43.065 42.059 -0.010 0.000 1.181 92 L HN 0.384 nan 8.230 nan 0.000 0.469 93 T N -2.562 111.979 114.554 -0.022 0.000 2.927 93 T HA 0.288 4.638 4.350 0.000 0.000 0.281 93 T C 1.171 175.846 174.700 -0.041 0.000 0.998 93 T CA -0.227 61.859 62.100 -0.023 0.000 1.019 93 T CB 1.558 70.411 68.868 -0.025 0.000 1.061 93 T HN 0.694 nan 8.240 nan 0.000 0.518 94 G N 0.468 109.250 108.800 -0.029 0.000 2.469 94 G HA2 -0.090 3.870 3.960 0.000 0.000 0.219 94 G HA3 -0.090 3.870 3.960 0.000 0.000 0.219 94 G C 1.548 176.430 174.900 -0.031 0.000 1.150 94 G CA 0.731 45.816 45.100 -0.026 0.000 0.763 94 G HN 1.036 nan 8.290 nan 0.000 0.561 95 G N 0.175 108.945 108.800 -0.051 0.000 2.440 95 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 95 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 95 G C 1.829 176.712 174.900 -0.028 0.000 1.154 95 G CA 1.166 46.226 45.100 -0.065 0.000 0.767 95 G HN 0.538 nan 8.290 nan 0.000 0.552 96 Q N -0.347 119.424 119.800 -0.049 0.000 2.123 96 Q HA 0.148 4.488 4.340 0.000 0.000 0.199 96 Q C 2.571 178.491 176.000 -0.132 0.000 0.966 96 Q CA 0.556 56.325 55.803 -0.057 0.000 0.845 96 Q CB -0.096 28.611 28.738 -0.051 0.000 0.907 96 Q HN 0.508 nan 8.270 nan 0.000 0.439 97 I N 0.095 120.540 120.570 -0.209 0.000 2.179 97 I HA -0.268 3.902 4.170 0.000 0.000 0.242 97 I C 2.118 178.061 176.117 -0.291 0.000 1.088 97 I CA 1.136 62.167 61.300 -0.449 0.000 1.357 97 I CB -0.254 37.496 38.000 -0.415 0.000 1.051 97 I HN 0.181 nan 8.210 nan 0.000 0.409 98 F N 2.019 121.809 119.950 -0.267 0.000 2.091 98 F HA -0.325 4.202 4.527 0.000 0.000 0.299 98 F C 2.459 178.110 175.800 -0.250 0.000 1.103 98 F CA 1.972 59.816 58.000 -0.261 0.000 1.228 98 F CB -0.462 38.364 39.000 -0.289 0.000 0.984 98 F HN 0.097 nan 8.300 nan 0.000 0.477 99 N N 0.597 119.312 118.700 0.025 0.000 2.036 99 N HA -0.276 4.464 4.740 0.000 0.000 0.195 99 N C 1.937 177.462 175.510 0.026 0.000 1.037 99 N CA 1.883 54.930 53.050 -0.004 0.000 0.855 99 N CB -0.405 38.124 38.487 0.069 0.000 1.033 99 N HN 0.402 nan 8.380 nan 0.000 0.423 100 E N 0.338 120.500 120.200 -0.064 0.000 2.110 100 E HA -0.082 4.268 4.350 0.000 0.000 0.193 100 E C 1.996 178.558 176.600 -0.063 0.000 0.988 100 E CA 1.117 57.491 56.400 -0.044 0.000 0.804 100 E CB -0.207 29.416 29.700 -0.128 0.000 0.745 100 E HN 0.287 nan 8.360 nan 0.000 0.458 101 M N -0.362 119.122 119.600 -0.193 0.000 2.159 101 M HA -0.090 4.390 4.480 0.000 0.000 0.263 101 M C 1.959 178.094 176.300 -0.274 0.000 1.063 101 M CA 1.153 56.330 55.300 -0.205 0.000 1.110 101 M CB -0.806 31.635 32.600 -0.266 0.000 1.374 101 M HN 0.241 nan 8.290 nan 0.000 0.411 102 M N -0.373 119.029 119.600 -0.330 0.000 2.108 102 M HA -0.117 4.363 4.480 0.000 0.000 0.261 102 M C 2.309 178.613 176.300 0.007 0.000 1.066 102 M CA 1.408 56.581 55.300 -0.210 0.000 1.107 102 M CB -1.736 30.763 32.600 -0.168 0.000 1.356 102 M HN 0.200 nan 8.290 nan 0.000 0.406 103 S N 0.150 115.908 115.700 0.097 0.000 2.368 103 S HA -0.085 4.385 4.470 0.000 0.000 0.225 103 S C 1.936 176.515 174.600 -0.035 0.000 1.030 103 S CA 1.045 59.262 58.200 0.028 0.000 0.999 103 S CB -0.242 62.966 63.200 0.013 0.000 0.844 103 S HN 0.459 nan 8.310 nan 0.000 0.459 104 R N 0.775 121.245 120.500 -0.050 0.000 2.189 104 R HA 0.045 4.385 4.340 0.000 0.000 0.223 104 R C 1.514 177.742 176.300 -0.119 0.000 1.092 104 R CA 0.734 56.798 56.100 -0.060 0.000 0.989 104 R CB -0.091 30.192 30.300 -0.029 0.000 0.876 104 R HN 0.340 nan 8.270 nan 0.000 0.457 105 Q N 0.214 119.885 119.800 -0.214 0.000 2.320 105 Q HA 0.071 4.411 4.340 0.000 0.000 0.201 105 Q C -0.375 175.536 176.000 -0.147 0.000 0.910 105 Q CA 0.096 55.706 55.803 -0.323 0.000 0.946 105 Q CB 0.162 28.371 28.738 -0.881 0.000 1.062 105 Q HN 0.371 nan 8.270 nan 0.000 0.503 106 N N -0.675 117.985 118.700 -0.068 0.000 2.754 106 N HA -0.149 4.591 4.740 0.000 0.000 0.248 106 N C -1.022 174.524 175.510 0.061 0.000 1.093 106 N CA 0.101 53.149 53.050 -0.004 0.000 0.699 106 N CB -1.069 37.423 38.487 0.007 0.000 1.016 106 N HN -0.041 nan 8.380 nan 0.000 0.552 107 V N 1.104 121.071 119.914 0.088 0.000 2.407 107 V HA 0.233 4.353 4.120 0.000 0.000 0.278 107 V C 0.819 177.053 176.094 0.232 0.000 1.037 107 V CA 0.239 62.658 62.300 0.197 0.000 0.900 107 V CB 1.569 33.532 31.823 0.233 0.000 0.983 107 V HN 0.357 nan 8.190 nan 0.000 0.459 108 D N 1.354 121.863 120.400 0.182 0.000 2.520 108 D HA 0.104 4.744 4.640 0.000 0.000 0.223 108 D C 0.297 176.664 176.300 0.111 0.000 1.186 108 D CA 0.006 54.069 54.000 0.106 0.000 0.821 108 D CB 0.678 41.486 40.800 0.012 0.000 1.072 108 D HN 0.457 nan 8.370 nan 0.000 0.518 109 T N 0.056 114.629 114.554 0.032 0.000 2.886 109 T HA 0.643 4.993 4.350 0.000 0.000 0.292 109 T C -0.991 173.501 174.700 -0.347 0.000 1.012 109 T CA -0.626 61.318 62.100 -0.261 0.000 0.982 109 T CB 2.535 71.073 68.868 -0.549 0.000 1.018 109 T HN -0.114 nan 8.240 nan 0.000 0.451 110 V N 3.329 122.927 119.914 -0.527 0.000 2.733 110 V HA 0.566 4.686 4.120 0.000 0.000 0.306 110 V C -1.389 174.146 176.094 -0.932 0.000 1.084 110 V CA -0.992 61.033 62.300 -0.458 0.000 0.905 110 V CB 1.621 33.357 31.823 -0.145 0.000 1.010 110 V HN 0.833 nan 8.190 nan 0.000 0.424 111 F N 2.525 122.245 119.950 -0.383 0.000 2.436 111 F HA 0.926 5.453 4.527 0.000 0.000 0.340 111 F C 0.833 176.437 175.800 -0.327 0.000 1.113 111 F CA -0.186 57.571 58.000 -0.406 0.000 1.022 111 F CB 2.089 40.973 39.000 -0.192 0.000 1.128 111 F HN 0.727 nan 8.300 nan 0.000 0.466 112 G N 1.435 110.109 108.800 -0.209 0.000 2.430 112 G HA2 0.445 4.405 3.960 0.000 0.000 0.300 112 G HA3 0.445 4.405 3.960 0.000 0.000 0.300 112 G C -2.709 172.486 174.900 0.492 0.000 1.330 112 G CA -0.695 44.529 45.100 0.206 0.000 0.813 112 G HN 0.432 nan 8.290 nan 0.000 0.487 113 Y N 1.179 121.670 120.300 0.319 0.000 2.470 113 Y HA 0.633 5.183 4.550 0.000 0.000 0.341 113 Y C -2.223 173.635 175.900 -0.070 0.000 1.021 113 Y CA -1.636 56.562 58.100 0.162 0.000 1.025 113 Y CB 3.054 41.544 38.460 0.050 0.000 1.266 113 Y HN 0.534 nan 8.280 nan 0.000 0.448 114 P HA 0.491 nan 4.420 nan 0.000 0.272 114 P C -0.700 176.381 177.300 -0.365 0.000 1.230 114 P CA 0.056 62.611 63.100 -0.908 0.000 0.788 114 P CB 1.564 32.428 31.700 -1.394 0.000 0.949 115 G N -0.897 107.709 108.800 -0.323 0.000 2.556 115 G HA2 0.410 4.370 3.960 0.000 0.000 0.294 115 G HA3 0.410 4.370 3.960 0.000 0.000 0.294 115 G C 0.662 175.482 174.900 -0.132 0.000 1.516 115 G CA -0.096 44.913 45.100 -0.150 0.000 0.824 115 G HN 0.488 nan 8.290 nan 0.000 0.535 116 G N 0.431 109.186 108.800 -0.075 0.000 2.476 116 G HA2 0.067 4.027 3.960 0.000 0.000 0.218 116 G HA3 0.067 4.027 3.960 0.000 0.000 0.218 116 G C 2.014 176.885 174.900 -0.049 0.000 1.164 116 G CA 2.138 47.209 45.100 -0.048 0.000 0.768 116 G HN 1.597 nan 8.290 nan 0.000 0.560 117 A N -0.126 122.663 122.820 -0.052 0.000 2.015 117 A HA 0.154 4.474 4.320 0.000 0.000 0.219 117 A C 2.151 179.703 177.584 -0.054 0.000 1.163 117 A CA 1.375 53.382 52.037 -0.049 0.000 0.646 117 A CB -0.163 18.802 19.000 -0.059 0.000 0.806 117 A HN 0.435 nan 8.150 nan 0.000 0.448 118 I N -1.273 119.258 120.570 -0.065 0.000 3.956 118 I HA 0.166 4.336 4.170 0.000 0.000 0.333 118 I C 1.484 177.564 176.117 -0.063 0.000 1.302 118 I CA -0.099 61.161 61.300 -0.066 0.000 1.122 118 I CB -0.107 37.867 38.000 -0.043 0.000 1.013 118 I HN 0.202 nan 8.210 nan 0.000 0.405 119 L N 2.143 123.327 121.223 -0.066 0.000 2.010 119 L HA -0.159 4.181 4.340 0.000 0.000 0.219 119 L C -0.583 176.266 176.870 -0.035 0.000 1.077 119 L CA 2.604 57.418 54.840 -0.044 0.000 0.773 119 L CB -1.607 40.418 42.059 -0.057 0.000 0.892 119 L HN 0.180 nan 8.230 nan 0.000 0.436 120 P HA -0.170 nan 4.420 nan 0.000 0.216 120 P C 1.916 179.141 177.300 -0.124 0.000 1.153 120 P CA 1.704 64.758 63.100 -0.078 0.000 0.858 120 P CB -0.009 31.648 31.700 -0.072 0.000 0.789 121 V N -2.102 117.699 119.914 -0.188 0.000 2.446 121 V HA -0.206 3.914 4.120 0.000 0.000 0.244 121 V C 2.261 178.182 176.094 -0.288 0.000 1.039 121 V CA 1.277 63.367 62.300 -0.351 0.000 1.045 121 V CB -1.365 30.067 31.823 -0.652 0.000 0.681 121 V HN 0.013 nan 8.190 nan 0.000 0.459 122 Y N 1.770 121.893 120.300 -0.295 0.000 2.097 122 Y HA -0.285 4.265 4.550 0.000 0.000 0.282 122 Y C 2.435 178.171 175.900 -0.274 0.000 1.152 122 Y CA 2.174 60.096 58.100 -0.297 0.000 1.136 122 Y CB -0.368 37.923 38.460 -0.281 0.000 0.975 122 Y HN 0.309 nan 8.280 nan 0.000 0.498 123 D N 0.020 120.332 120.400 -0.147 0.000 2.123 123 D HA -0.210 4.430 4.640 0.000 0.000 0.196 123 D C 2.282 178.476 176.300 -0.177 0.000 0.992 123 D CA 1.487 55.387 54.000 -0.167 0.000 0.833 123 D CB -0.597 40.161 40.800 -0.070 0.000 0.954 123 D HN 0.503 nan 8.370 nan 0.000 0.455 124 A N 1.210 123.934 122.820 -0.160 0.000 1.877 124 A HA -0.160 4.160 4.320 0.000 0.000 0.216 124 A C 2.255 179.760 177.584 -0.132 0.000 1.186 124 A CA 0.973 52.941 52.037 -0.115 0.000 0.620 124 A CB -0.470 18.473 19.000 -0.096 0.000 0.822 124 A HN 0.120 nan 8.150 nan 0.000 0.443 125 I N -0.829 119.599 120.570 -0.237 0.000 2.233 125 I HA -0.168 4.002 4.170 0.000 0.000 0.243 125 I C 2.402 178.378 176.117 -0.235 0.000 1.093 125 I CA 1.638 62.782 61.300 -0.261 0.000 1.380 125 I CB -1.442 36.397 38.000 -0.269 0.000 1.067 125 I HN 0.551 nan 8.210 nan 0.000 0.413 126 H N 1.702 120.396 119.070 -0.626 0.000 2.421 126 H HA -0.101 4.455 4.556 0.000 0.000 0.298 126 H C 1.384 176.523 175.328 -0.315 0.000 1.087 126 H CA 1.257 56.893 56.048 -0.688 0.000 1.330 126 H CB 0.256 29.271 29.762 -1.244 0.000 1.388 126 H HN 0.306 nan 8.280 nan 0.000 0.526 127 N N 0.328 118.956 118.700 -0.121 0.000 2.412 127 N HA -0.070 4.670 4.740 0.000 0.000 0.184 127 N C 0.295 175.781 175.510 -0.040 0.000 1.101 127 N CA 0.151 53.166 53.050 -0.058 0.000 0.881 127 N CB 0.302 38.778 38.487 -0.018 0.000 0.969 127 N HN 0.070 nan 8.380 nan 0.000 0.459 128 S N 1.319 117.023 115.700 0.007 0.000 2.525 128 S HA 0.085 4.555 4.470 0.000 0.000 0.278 128 S C 0.704 175.339 174.600 0.057 0.000 1.234 128 S CA -0.726 57.526 58.200 0.087 0.000 1.058 128 S CB 0.972 64.342 63.200 0.283 0.000 0.983 128 S HN 0.221 nan 8.310 nan 0.000 0.495 129 D N 3.870 124.264 120.400 -0.010 0.000 2.340 129 D HA 0.023 4.663 4.640 0.000 0.000 0.220 129 D C 0.828 177.063 176.300 -0.108 0.000 1.039 129 D CA 0.246 54.217 54.000 -0.048 0.000 0.866 129 D CB 0.035 40.804 40.800 -0.053 0.000 0.913 129 D HN 0.561 nan 8.370 nan 0.000 0.523 130 K N -0.575 119.710 120.400 -0.193 0.000 2.432 130 K HA 0.104 4.424 4.320 0.000 0.000 0.196 130 K C -0.239 175.901 176.600 -0.768 0.000 1.038 130 K CA 0.423 56.398 56.287 -0.519 0.000 0.986 130 K CB 0.192 32.234 32.500 -0.763 0.000 0.782 130 K HN 0.133 nan 8.250 nan 0.000 0.485 131 F N 0.066 119.993 119.950 -0.039 0.000 2.576 131 F HA 0.250 4.777 4.527 0.000 0.000 0.313 131 F C -0.042 175.727 175.800 -0.052 0.000 1.078 131 F CA -1.649 56.329 58.000 -0.037 0.000 0.921 131 F CB 0.904 39.901 39.000 -0.006 0.000 1.232 131 F HN -0.235 nan 8.300 nan 0.000 0.459 132 N N 2.342 121.102 118.700 0.099 0.000 2.462 132 N HA 0.176 4.916 4.740 0.000 0.000 0.242 132 N C -1.541 173.933 175.510 -0.059 0.000 1.010 132 N CA -0.303 52.747 53.050 -0.000 0.000 0.939 132 N CB 0.171 38.627 38.487 -0.053 0.000 1.127 132 N HN 0.520 nan 8.380 nan 0.000 0.509 133 F N 4.447 124.313 119.950 -0.140 0.000 2.404 133 F HA 0.369 4.896 4.527 0.000 0.000 0.358 133 F C -0.350 175.370 175.800 -0.133 0.000 1.120 133 F CA -0.607 57.297 58.000 -0.161 0.000 1.144 133 F CB 0.685 39.597 39.000 -0.147 0.000 1.133 133 F HN 0.142 nan 8.300 nan 0.000 0.495 134 V N 7.960 127.550 119.914 -0.539 0.000 2.383 134 V HA 0.257 4.377 4.120 0.000 0.000 0.275 134 V C -0.062 175.975 176.094 -0.095 0.000 1.036 134 V CA -0.696 61.461 62.300 -0.239 0.000 0.889 134 V CB 1.240 32.898 31.823 -0.275 0.000 0.985 134 V HN 0.549 nan 8.190 nan 0.000 0.459 135 L N 9.047 130.362 121.223 0.153 0.000 2.272 135 L HA 0.515 4.855 4.340 0.000 0.000 0.289 135 L C -1.853 175.169 176.870 0.254 0.000 1.032 135 L CA -1.170 53.832 54.840 0.269 0.000 0.810 135 L CB 1.950 44.197 42.059 0.313 0.000 1.205 135 L HN 0.499 nan 8.230 nan 0.000 0.422 136 P HA 0.301 nan 4.420 nan 0.000 0.310 136 P C -0.487 176.991 177.300 0.297 0.000 1.309 136 P CA -0.523 62.724 63.100 0.246 0.000 0.769 136 P CB 1.640 33.463 31.700 0.205 0.000 1.327 137 K N -1.780 118.738 120.400 0.197 0.000 2.354 137 K HA 0.131 4.451 4.320 0.000 0.000 0.194 137 K C 0.409 177.015 176.600 0.009 0.000 1.038 137 K CA 0.557 56.946 56.287 0.169 0.000 1.052 137 K CB -0.073 32.503 32.500 0.127 0.000 0.861 137 K HN 0.572 nan 8.250 nan 0.000 0.535 138 H N 0.034 119.029 119.070 -0.124 0.000 2.954 138 H HA 0.159 4.715 4.556 0.000 0.000 0.361 138 H C -0.058 175.169 175.328 -0.168 0.000 1.122 138 H CA -0.069 55.844 56.048 -0.225 0.000 1.217 138 H CB 1.785 31.472 29.762 -0.124 0.000 1.776 138 H HN -0.216 nan 8.280 nan 0.000 0.533 139 E N 2.207 122.286 120.200 -0.203 0.000 2.171 139 E HA -0.221 4.129 4.350 0.000 0.000 0.197 139 E C 1.878 178.531 176.600 0.088 0.000 0.997 139 E CA 1.567 57.950 56.400 -0.029 0.000 0.810 139 E CB 0.163 29.798 29.700 -0.108 0.000 0.738 139 E HN 0.623 nan 8.360 nan 0.000 0.467 140 Q N -0.074 119.902 119.800 0.293 0.000 2.135 140 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 140 Q C 2.157 178.116 176.000 -0.067 0.000 0.981 140 Q CA 1.634 57.447 55.803 0.017 0.000 0.856 140 Q CB -0.345 28.355 28.738 -0.063 0.000 0.902 140 Q HN 0.392 nan 8.270 nan 0.000 0.425 141 G N 0.394 109.224 108.800 0.049 0.000 2.446 141 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 141 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 141 G C 1.465 176.372 174.900 0.011 0.000 1.168 141 G CA 1.017 46.145 45.100 0.046 0.000 0.771 141 G HN 0.512 nan 8.290 nan 0.000 0.551 142 A N 0.920 123.765 122.820 0.042 0.000 1.883 142 A HA 0.083 4.403 4.320 0.000 0.000 0.217 142 A C 2.734 180.266 177.584 -0.086 0.000 1.186 142 A CA 2.314 54.380 52.037 0.048 0.000 0.624 142 A CB -1.200 17.872 19.000 0.121 0.000 0.822 142 A HN 0.585 nan 8.150 nan 0.000 0.444 143 G N -1.480 107.249 108.800 -0.118 0.000 2.421 143 G HA2 -0.253 3.707 3.960 0.000 0.000 0.216 143 G HA3 -0.253 3.707 3.960 0.000 0.000 0.216 143 G C 1.492 176.273 174.900 -0.199 0.000 1.171 143 G CA 1.139 46.130 45.100 -0.181 0.000 0.775 143 G HN 0.655 nan 8.290 nan 0.000 0.543 144 H N -0.003 119.005 119.070 -0.104 0.000 2.428 144 H HA 0.130 4.686 4.556 0.000 0.000 0.296 144 H C 2.700 177.842 175.328 -0.309 0.000 1.062 144 H CA 0.945 56.893 56.048 -0.166 0.000 1.350 144 H CB -0.240 29.423 29.762 -0.165 0.000 1.403 144 H HN 0.345 nan 8.280 nan 0.000 0.533 145 M N -0.087 119.369 119.600 -0.240 0.000 2.117 145 M HA -0.090 4.390 4.480 0.000 0.000 0.262 145 M C 2.672 178.492 176.300 -0.801 0.000 1.065 145 M CA 1.397 56.422 55.300 -0.458 0.000 1.114 145 M CB -0.179 32.156 32.600 -0.443 0.000 1.361 145 M HN 0.222 nan 8.290 nan 0.000 0.408 146 A N 0.377 122.682 122.820 -0.857 0.000 1.933 146 A HA -0.174 4.146 4.320 0.000 0.000 0.218 146 A C 1.913 179.394 177.584 -0.172 0.000 1.175 146 A CA 1.674 53.326 52.037 -0.641 0.000 0.628 146 A CB -0.628 18.206 19.000 -0.277 0.000 0.814 146 A HN 0.548 nan 8.150 nan 0.000 0.444 147 E N -0.694 119.442 120.200 -0.106 0.000 2.072 147 E HA -0.095 4.255 4.350 0.000 0.000 0.191 147 E C 2.187 178.793 176.600 0.011 0.000 0.985 147 E CA 0.736 57.153 56.400 0.028 0.000 0.801 147 E CB -0.386 29.411 29.700 0.161 0.000 0.750 147 E HN 0.599 nan 8.360 nan 0.000 0.452 148 G N 0.708 109.448 108.800 -0.100 0.000 2.418 148 G HA2 -0.313 3.647 3.960 0.000 0.000 0.217 148 G HA3 -0.313 3.647 3.960 0.000 0.000 0.217 148 G C 1.417 176.322 174.900 0.009 0.000 1.158 148 G CA 0.878 45.927 45.100 -0.085 0.000 0.771 148 G HN 0.279 nan 8.290 nan 0.000 0.545 149 Y N 1.967 122.205 120.300 -0.104 0.000 2.128 149 Y HA -0.036 4.514 4.550 0.000 0.000 0.284 149 Y C 2.912 178.846 175.900 0.055 0.000 1.154 149 Y CA 1.681 59.792 58.100 0.018 0.000 1.149 149 Y CB -0.336 38.173 38.460 0.082 0.000 0.976 149 Y HN 0.249 nan 8.280 nan 0.000 0.505 150 A N 0.651 123.562 122.820 0.152 0.000 1.877 150 A HA -0.174 4.146 4.320 0.000 0.000 0.216 150 A C 2.272 179.874 177.584 0.030 0.000 1.186 150 A CA 1.789 53.882 52.037 0.093 0.000 0.620 150 A CB -0.621 18.465 19.000 0.143 0.000 0.822 150 A HN 0.543 nan 8.150 nan 0.000 0.443 151 R N -0.631 119.904 120.500 0.058 0.000 2.148 151 R HA -0.016 4.324 4.340 0.000 0.000 0.227 151 R C 2.170 178.563 176.300 0.155 0.000 1.103 151 R CA 1.072 57.234 56.100 0.103 0.000 0.983 151 R CB -0.307 30.035 30.300 0.070 0.000 0.874 151 R HN 0.510 nan 8.270 nan 0.000 0.451 152 A N 0.320 123.161 122.820 0.036 0.000 2.081 152 A HA -0.033 4.287 4.320 0.000 0.000 0.214 152 A C 2.000 179.513 177.584 -0.119 0.000 1.158 152 A CA 1.068 53.119 52.037 0.025 0.000 0.724 152 A CB 0.083 19.089 19.000 0.009 0.000 0.826 152 A HN 0.352 nan 8.150 nan 0.000 0.463 153 S N -3.038 112.518 115.700 -0.240 0.000 2.527 153 S HA 0.416 4.886 4.470 0.000 0.000 0.227 153 S C 1.517 175.954 174.600 -0.271 0.000 1.059 153 S CA 1.206 59.213 58.200 -0.321 0.000 0.919 153 S CB 0.135 63.003 63.200 -0.553 0.000 0.805 153 S HN 1.757 nan 8.310 nan 0.000 0.500 154 G N 1.190 109.880 108.800 -0.184 0.000 2.195 154 G HA2 -0.224 3.736 3.960 0.000 0.000 0.246 154 G HA3 -0.224 3.736 3.960 0.000 0.000 0.246 154 G C -0.074 174.813 174.900 -0.021 0.000 0.984 154 G CA 0.245 45.281 45.100 -0.107 0.000 0.633 154 G HN 0.633 nan 8.290 nan 0.000 0.525 155 K N 1.523 121.919 120.400 -0.008 0.000 2.095 155 K HA 0.572 4.892 4.320 0.000 0.000 0.252 155 K C -2.336 174.388 176.600 0.206 0.000 0.977 155 K CA -1.909 54.448 56.287 0.118 0.000 0.900 155 K CB 1.664 34.273 32.500 0.182 0.000 1.060 155 K HN 0.061 nan 8.250 nan 0.000 0.449 156 P HA 0.032 nan 4.420 nan 0.000 0.275 156 P C -0.484 176.998 177.300 0.303 0.000 1.228 156 P CA -0.357 62.869 63.100 0.211 0.000 0.786 156 P CB 0.765 32.548 31.700 0.139 0.000 0.927 157 G N 1.771 110.710 108.800 0.231 0.000 2.333 157 G HA2 0.421 4.381 3.960 0.000 0.000 0.290 157 G HA3 0.421 4.381 3.960 0.000 0.000 0.290 157 G C -0.455 174.548 174.900 0.172 0.000 1.150 157 G CA -0.388 44.860 45.100 0.248 0.000 0.895 157 G HN 0.331 nan 8.290 nan 0.000 0.444 158 V N 3.340 123.397 119.914 0.239 0.000 2.370 158 V HA 0.359 4.479 4.120 0.000 0.000 0.279 158 V C 0.041 176.304 176.094 0.282 0.000 1.029 158 V CA -0.607 61.852 62.300 0.265 0.000 0.870 158 V CB 1.322 33.357 31.823 0.353 0.000 0.984 158 V HN 0.481 nan 8.190 nan 0.000 0.451 159 V N 6.220 126.283 119.914 0.249 0.000 2.555 159 V HA 0.543 4.663 4.120 0.000 0.000 0.302 159 V C -0.582 175.686 176.094 0.291 0.000 1.038 159 V CA -0.636 61.795 62.300 0.218 0.000 0.887 159 V CB 1.857 33.747 31.823 0.113 0.000 0.991 159 V HN 0.658 nan 8.190 nan 0.000 0.434 160 L N 7.070 128.454 121.223 0.267 0.000 2.372 160 L HA 0.846 5.186 4.340 0.000 0.000 0.274 160 L C -0.506 176.517 176.870 0.256 0.000 0.988 160 L CA -0.124 54.893 54.840 0.295 0.000 0.833 160 L CB 1.651 43.912 42.059 0.335 0.000 1.236 160 L HN 0.599 nan 8.230 nan 0.000 0.410 161 V N 0.912 120.932 119.914 0.176 0.000 3.160 161 V HA 0.727 4.847 4.120 0.000 0.000 0.310 161 V C -0.074 176.055 176.094 0.058 0.000 1.181 161 V CA -0.437 61.937 62.300 0.124 0.000 1.047 161 V CB 1.584 33.454 31.823 0.078 0.000 1.068 161 V HN 0.708 nan 8.190 nan 0.000 0.441 162 T N 0.977 115.543 114.554 0.020 0.000 2.814 162 T HA 0.506 4.856 4.350 0.000 0.000 0.284 162 T C 0.652 175.321 174.700 -0.051 0.000 0.998 162 T CA 0.425 62.508 62.100 -0.029 0.000 0.935 162 T CB 0.962 69.799 68.868 -0.052 0.000 1.167 162 T HN 1.644 nan 8.240 nan 0.000 0.545 163 S N -0.308 115.343 115.700 -0.083 0.000 2.634 163 S HA 0.572 5.042 4.470 0.000 0.000 0.261 163 S C 1.333 175.845 174.600 -0.147 0.000 1.271 163 S CA -0.081 58.054 58.200 -0.108 0.000 0.985 163 S CB -0.039 63.086 63.200 -0.125 0.000 0.968 163 S HN 1.558 nan 8.310 nan 0.000 0.568 164 G N 1.635 110.342 108.800 -0.154 0.000 2.665 164 G HA2 -0.304 3.656 3.960 0.000 0.000 0.326 164 G HA3 -0.304 3.656 3.960 0.000 0.000 0.326 164 G C -0.938 173.881 174.900 -0.135 0.000 1.231 164 G CA 0.450 45.449 45.100 -0.168 0.000 0.992 164 G HN 0.753 nan 8.290 nan 0.000 0.549 165 P HA -0.061 nan 4.420 nan 0.000 0.219 165 P C 1.908 179.128 177.300 -0.133 0.000 1.146 165 P CA 2.661 65.685 63.100 -0.127 0.000 0.808 165 P CB -0.709 30.913 31.700 -0.130 0.000 0.779 166 G N 0.539 109.266 108.800 -0.122 0.000 2.402 166 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 166 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 166 G C 1.824 176.679 174.900 -0.075 0.000 1.162 166 G CA 1.001 46.042 45.100 -0.099 0.000 0.777 166 G HN 0.375 nan 8.290 nan 0.000 0.539 167 A N 0.802 123.579 122.820 -0.072 0.000 1.897 167 A HA 0.022 4.342 4.320 0.000 0.000 0.215 167 A C 2.640 180.185 177.584 -0.065 0.000 1.181 167 A CA 2.524 54.524 52.037 -0.061 0.000 0.620 167 A CB -1.044 17.917 19.000 -0.066 0.000 0.821 167 A HN 0.508 nan 8.150 nan 0.000 0.443 168 T N -2.071 112.441 114.554 -0.071 0.000 2.915 168 T HA -0.112 4.238 4.350 0.000 0.000 0.269 168 T C 1.356 176.031 174.700 -0.042 0.000 1.071 168 T CA 1.546 63.611 62.100 -0.059 0.000 1.132 168 T CB -0.785 68.049 68.868 -0.058 0.000 0.878 168 T HN 0.589 nan 8.240 nan 0.000 0.479 169 N N 1.069 119.740 118.700 -0.050 0.000 2.550 169 N HA 0.049 4.789 4.740 0.000 0.000 0.186 169 N C 1.410 176.922 175.510 0.003 0.000 1.110 169 N CA 0.713 53.763 53.050 0.000 0.000 0.912 169 N CB 0.093 38.527 38.487 -0.088 0.000 0.968 169 N HN 0.524 nan 8.380 nan 0.000 0.448 170 V N -3.420 116.471 119.914 -0.038 0.000 3.483 170 V HA 0.194 4.314 4.120 0.000 0.000 0.301 170 V C 1.562 177.616 176.094 -0.068 0.000 1.389 170 V CA -0.045 62.219 62.300 -0.060 0.000 1.101 170 V CB -0.014 31.778 31.823 -0.052 0.000 0.971 170 V HN -0.104 nan 8.190 nan 0.000 0.434 171 V N 1.265 121.147 119.914 -0.053 0.000 2.295 171 V HA -0.221 3.899 4.120 0.000 0.000 0.246 171 V C 2.777 178.846 176.094 -0.042 0.000 1.049 171 V CA 3.008 65.275 62.300 -0.054 0.000 1.024 171 V CB -1.045 30.748 31.823 -0.049 0.000 0.648 171 V HN 0.655 nan 8.190 nan 0.000 0.447 172 T N 0.262 114.798 114.554 -0.031 0.000 2.684 172 T HA -0.113 4.237 4.350 0.000 0.000 0.267 172 T C -0.047 174.659 174.700 0.009 0.000 1.036 172 T CA 2.085 64.187 62.100 0.004 0.000 1.148 172 T CB -1.114 67.777 68.868 0.039 0.000 0.863 172 T HN 0.430 nan 8.240 nan 0.000 0.436 173 P HA 0.018 nan 4.420 nan 0.000 0.217 173 P C 1.584 178.880 177.300 -0.005 0.000 1.150 173 P CA 1.095 64.110 63.100 -0.141 0.000 0.832 173 P CB -0.119 31.360 31.700 -0.369 0.000 0.787 174 M N -1.245 118.341 119.600 -0.023 0.000 2.132 174 M HA -0.103 4.377 4.480 0.000 0.000 0.263 174 M C 2.172 178.506 176.300 0.057 0.000 1.065 174 M CA 1.928 57.232 55.300 0.006 0.000 1.122 174 M CB -0.902 31.674 32.600 -0.039 0.000 1.365 174 M HN -0.095 nan 8.290 nan 0.000 0.411 175 A N 0.139 122.978 122.820 0.031 0.000 1.933 175 A HA -0.228 4.092 4.320 0.000 0.000 0.218 175 A C 1.926 179.585 177.584 0.125 0.000 1.175 175 A CA 2.009 54.085 52.037 0.065 0.000 0.628 175 A CB -0.910 18.101 19.000 0.019 0.000 0.814 175 A HN 0.542 nan 8.150 nan 0.000 0.444 176 D N 0.089 120.550 120.400 0.101 0.000 2.084 176 D HA -0.113 4.527 4.640 0.000 0.000 0.194 176 D C 2.146 178.493 176.300 0.079 0.000 0.990 176 D CA 1.528 55.579 54.000 0.086 0.000 0.826 176 D CB -0.111 40.785 40.800 0.159 0.000 0.971 176 D HN 0.324 nan 8.370 nan 0.000 0.453 177 A N 0.132 123.019 122.820 0.111 0.000 1.972 177 A HA -0.166 4.154 4.320 0.000 0.000 0.219 177 A C 2.100 179.742 177.584 0.097 0.000 1.169 177 A CA 0.953 53.045 52.037 0.093 0.000 0.635 177 A CB -1.049 18.006 19.000 0.091 0.000 0.810 177 A HN 0.397 nan 8.150 nan 0.000 0.446 178 F N 0.865 120.809 119.950 -0.010 0.000 2.134 178 F HA -0.043 4.484 4.527 0.000 0.000 0.299 178 F C 2.487 178.276 175.800 -0.018 0.000 1.097 178 F CA 1.159 59.152 58.000 -0.012 0.000 1.264 178 F CB -0.358 38.635 39.000 -0.013 0.000 1.001 178 F HN 0.239 nan 8.300 nan 0.000 0.479 179 A N -0.751 122.095 122.820 0.043 0.000 1.929 179 A HA -0.129 4.191 4.320 0.000 0.000 0.216 179 A C 1.647 179.157 177.584 -0.123 0.000 1.176 179 A CA 1.792 53.793 52.037 -0.060 0.000 0.628 179 A CB -0.660 18.343 19.000 0.005 0.000 0.816 179 A HN 0.379 nan 8.150 nan 0.000 0.444 180 D N -0.885 119.455 120.400 -0.099 0.000 2.340 180 D HA 0.266 4.906 4.640 0.000 0.000 0.217 180 D C 1.045 177.284 176.300 -0.103 0.000 1.081 180 D CA 0.876 54.809 54.000 -0.110 0.000 0.842 180 D CB -0.064 40.668 40.800 -0.114 0.000 0.934 180 D HN 0.498 nan 8.370 nan 0.000 0.511 181 G N 1.743 110.467 108.800 -0.127 0.000 2.350 181 G HA2 -0.288 3.672 3.960 0.000 0.000 0.298 181 G HA3 -0.288 3.672 3.960 0.000 0.000 0.298 181 G C 0.134 175.005 174.900 -0.047 0.000 1.037 181 G CA -0.040 44.993 45.100 -0.111 0.000 1.074 181 G HN 0.360 nan 8.290 nan 0.000 0.511 182 I N 1.659 122.220 120.570 -0.016 0.000 2.354 182 I HA 0.317 4.487 4.170 0.000 0.000 0.292 182 I C -1.719 174.416 176.117 0.031 0.000 0.989 182 I CA -2.691 58.620 61.300 0.019 0.000 1.188 182 I CB 2.139 40.163 38.000 0.042 0.000 1.342 182 I HN -0.020 nan 8.210 nan 0.000 0.457 183 P HA 0.124 nan 4.420 nan 0.000 0.271 183 P C -0.990 176.326 177.300 0.026 0.000 1.233 183 P CA -0.089 63.029 63.100 0.029 0.000 0.764 183 P CB 1.070 32.797 31.700 0.045 0.000 0.825 184 M N 3.901 123.492 119.600 -0.014 0.000 2.322 184 M HA 0.318 4.798 4.480 0.000 0.000 0.285 184 M C -2.051 174.171 176.300 -0.130 0.000 1.119 184 M CA -0.863 54.417 55.300 -0.034 0.000 0.953 184 M CB 2.433 35.032 32.600 -0.001 0.000 1.701 184 M HN -0.064 nan 8.290 nan 0.000 0.479 185 V N 5.143 124.936 119.914 -0.201 0.000 2.350 185 V HA 0.455 4.575 4.120 0.000 0.000 0.285 185 V C -0.618 175.294 176.094 -0.303 0.000 1.014 185 V CA -0.677 61.395 62.300 -0.380 0.000 0.831 185 V CB 1.522 32.922 31.823 -0.705 0.000 1.000 185 V HN 0.667 nan 8.190 nan 0.000 0.433 186 V N 5.897 125.615 119.914 -0.327 0.000 2.370 186 V HA 0.488 4.608 4.120 0.000 0.000 0.279 186 V C -0.505 175.400 176.094 -0.315 0.000 1.029 186 V CA -0.325 61.857 62.300 -0.197 0.000 0.870 186 V CB 1.163 32.919 31.823 -0.112 0.000 0.984 186 V HN 0.659 nan 8.190 nan 0.000 0.451 187 F N 3.045 123.048 119.950 0.088 0.000 2.411 187 F HA 0.560 5.087 4.527 0.000 0.000 0.352 187 F C 0.687 176.505 175.800 0.030 0.000 1.123 187 F CA -0.514 57.540 58.000 0.090 0.000 1.044 187 F CB 2.017 41.116 39.000 0.165 0.000 1.135 187 F HN 0.498 nan 8.300 nan 0.000 0.461 188 T N 0.259 114.901 114.554 0.147 0.000 2.807 188 T HA 0.676 5.026 4.350 0.000 0.000 0.279 188 T C 0.217 174.941 174.700 0.039 0.000 0.993 188 T CA -0.945 61.192 62.100 0.063 0.000 0.970 188 T CB 1.452 70.321 68.868 0.001 0.000 0.950 188 T HN 0.762 nan 8.240 nan 0.000 0.441 189 G N 1.407 110.213 108.800 0.010 0.000 2.544 189 G HA2 0.469 4.429 3.960 0.000 0.000 0.242 189 G HA3 0.469 4.429 3.960 0.000 0.000 0.242 189 G C -0.549 174.332 174.900 -0.031 0.000 1.247 189 G CA -0.185 44.905 45.100 -0.018 0.000 0.840 189 G HN 0.865 nan 8.290 nan 0.000 0.578 190 Q N -0.535 119.246 119.800 -0.032 0.000 2.456 190 Q HA 0.490 4.830 4.340 0.000 0.000 0.284 190 Q C -0.086 175.892 176.000 -0.037 0.000 1.061 190 Q CA -0.734 55.045 55.803 -0.040 0.000 0.799 190 Q CB 1.973 30.694 28.738 -0.029 0.000 1.445 190 Q HN 0.974 nan 8.270 nan 0.000 0.411 191 V N 0.195 120.084 119.914 -0.041 0.000 3.287 191 V HA 0.525 4.645 4.120 0.000 0.000 0.306 191 V C -2.206 173.880 176.094 -0.014 0.000 1.103 191 V CA -1.342 60.943 62.300 -0.026 0.000 1.159 191 V CB -0.289 31.520 31.823 -0.023 0.000 1.036 191 V HN 0.789 nan 8.190 nan 0.000 0.487 192 P HA 0.082 nan 4.420 nan 0.000 0.265 192 P C 1.210 178.509 177.300 -0.002 0.000 1.187 192 P CA 0.906 64.004 63.100 -0.002 0.000 0.766 192 P CB 0.361 32.062 31.700 0.003 0.000 0.820 193 T N -0.986 113.568 114.554 0.000 0.000 2.737 193 T HA -0.225 4.125 4.350 0.000 0.000 0.269 193 T C 1.699 176.400 174.700 0.001 0.000 1.040 193 T CA 1.850 63.950 62.100 0.001 0.000 1.142 193 T CB -1.270 67.601 68.868 0.006 0.000 0.861 193 T HN 0.462 nan 8.240 nan 0.000 0.456 194 S N 1.755 117.457 115.700 0.003 0.000 2.474 194 S HA 0.271 4.741 4.470 0.000 0.000 0.235 194 S C 2.144 176.746 174.600 0.003 0.000 0.997 194 S CA 0.476 58.678 58.200 0.003 0.000 0.949 194 S CB -0.540 62.663 63.200 0.005 0.000 0.766 194 S HN 0.778 nan 8.310 nan 0.000 0.517 195 A N 0.859 123.680 122.820 0.002 0.000 2.220 195 A HA 0.431 4.751 4.320 0.000 0.000 0.211 195 A C 0.746 178.329 177.584 -0.002 0.000 1.176 195 A CA -0.375 51.663 52.037 0.003 0.000 0.834 195 A CB -0.181 18.824 19.000 0.008 0.000 0.868 195 A HN 0.457 nan 8.150 nan 0.000 0.488 196 I N 1.173 121.740 120.570 -0.006 0.000 2.821 196 I HA 0.106 4.276 4.170 0.000 0.000 0.294 196 I C 1.452 177.563 176.117 -0.010 0.000 1.210 196 I CA 1.896 63.188 61.300 -0.012 0.000 1.430 196 I CB -1.103 36.889 38.000 -0.014 0.000 1.356 196 I HN 0.541 nan 8.210 nan 0.000 0.563 197 G N 4.602 113.395 108.800 -0.013 0.000 2.212 197 G HA2 -0.223 3.737 3.960 0.000 0.000 0.255 197 G HA3 -0.223 3.737 3.960 0.000 0.000 0.255 197 G C 0.443 175.340 174.900 -0.006 0.000 1.062 197 G CA 0.425 45.519 45.100 -0.011 0.000 0.815 197 G HN 0.954 nan 8.290 nan 0.000 0.497 198 T N -3.183 111.369 114.554 -0.002 0.000 3.262 198 T HA 0.386 4.736 4.350 0.000 0.000 0.300 198 T C 0.434 175.138 174.700 0.008 0.000 0.959 198 T CA 0.814 62.916 62.100 0.003 0.000 0.936 198 T CB 0.389 69.261 68.868 0.006 0.000 1.169 198 T HN 0.521 nan 8.240 nan 0.000 0.532 199 D N 1.396 121.799 120.400 0.004 0.000 2.723 199 D HA -0.130 4.510 4.640 0.000 0.000 0.236 199 D C 0.559 176.876 176.300 0.029 0.000 1.138 199 D CA 0.935 54.941 54.000 0.010 0.000 0.676 199 D CB -1.447 39.360 40.800 0.012 0.000 1.069 199 D HN 0.889 nan 8.370 nan 0.000 0.430 200 A N 0.010 122.847 122.820 0.027 0.000 2.386 200 A HA 0.357 4.677 4.320 0.000 0.000 0.246 200 A C 0.393 178.031 177.584 0.090 0.000 1.089 200 A CA -0.342 51.731 52.037 0.059 0.000 0.790 200 A CB 0.250 19.274 19.000 0.040 0.000 1.042 200 A HN 0.206 nan 8.150 nan 0.000 0.497 201 F N 0.996 120.935 119.950 -0.019 0.000 2.608 201 F HA 0.142 4.669 4.527 0.000 0.000 0.380 201 F C 1.244 177.030 175.800 -0.023 0.000 1.083 201 F CA 1.094 59.082 58.000 -0.021 0.000 1.266 201 F CB -0.293 38.694 39.000 -0.021 0.000 1.076 201 F HN 0.799 nan 8.300 nan 0.000 0.574 202 Q N 1.757 121.137 119.800 -0.701 0.000 2.481 202 Q HA -0.306 4.034 4.340 0.000 0.000 0.272 202 Q C -0.220 175.601 176.000 -0.298 0.000 1.157 202 Q CA 1.204 56.630 55.803 -0.627 0.000 0.935 202 Q CB -1.418 26.775 28.738 -0.908 0.000 1.338 202 Q HN 0.838 nan 8.270 nan 0.000 0.494 203 E N 0.016 120.110 120.200 -0.176 0.000 2.174 203 E HA 0.604 4.954 4.350 0.000 0.000 0.282 203 E C -0.845 175.700 176.600 -0.092 0.000 0.992 203 E CA 0.150 56.487 56.400 -0.106 0.000 0.803 203 E CB 0.958 30.623 29.700 -0.058 0.000 1.090 203 E HN 0.316 nan 8.360 nan 0.000 0.396 204 A N 3.966 126.735 122.820 -0.086 0.000 2.475 204 A HA 0.227 4.547 4.320 0.000 0.000 0.301 204 A C -0.868 176.675 177.584 -0.067 0.000 1.059 204 A CA -0.809 51.183 52.037 -0.075 0.000 0.710 204 A CB 1.610 20.559 19.000 -0.084 0.000 1.288 204 A HN 0.681 nan 8.150 nan 0.000 0.408 205 D N 2.645 123.009 120.400 -0.061 0.000 2.688 205 D HA 0.205 4.845 4.640 0.000 0.000 0.228 205 D C 1.182 177.438 176.300 -0.072 0.000 1.116 205 D CA 0.083 54.046 54.000 -0.062 0.000 1.023 205 D CB -0.167 40.600 40.800 -0.054 0.000 1.100 205 D HN 0.137 nan 8.370 nan 0.000 0.487 206 V N 1.766 121.633 119.914 -0.078 0.000 2.392 206 V HA -0.243 3.877 4.120 0.000 0.000 0.249 206 V C 2.555 178.588 176.094 -0.103 0.000 1.059 206 V CA 1.069 63.317 62.300 -0.087 0.000 1.051 206 V CB -0.349 31.424 31.823 -0.083 0.000 0.658 206 V HN 0.369 nan 8.190 nan 0.000 0.455 207 V N 0.887 120.736 119.914 -0.109 0.000 2.407 207 V HA -0.184 3.936 4.120 0.000 0.000 0.248 207 V C 2.507 178.527 176.094 -0.122 0.000 1.055 207 V CA 2.222 64.441 62.300 -0.135 0.000 1.049 207 V CB -1.075 30.666 31.823 -0.136 0.000 0.662 207 V HN 0.627 nan 8.190 nan 0.000 0.455 208 G N -0.588 108.154 108.800 -0.097 0.000 2.396 208 G HA2 -0.132 3.828 3.960 0.000 0.000 0.214 208 G HA3 -0.132 3.828 3.960 0.000 0.000 0.214 208 G C 1.548 176.394 174.900 -0.090 0.000 1.166 208 G CA 0.640 45.689 45.100 -0.086 0.000 0.793 208 G HN 0.470 nan 8.290 nan 0.000 0.533 209 I N 1.870 122.387 120.570 -0.088 0.000 2.286 209 I HA -0.159 4.011 4.170 0.000 0.000 0.248 209 I C 2.619 178.672 176.117 -0.107 0.000 1.115 209 I CA 1.596 62.844 61.300 -0.087 0.000 1.392 209 I CB -0.075 37.877 38.000 -0.079 0.000 1.065 209 I HN 0.325 nan 8.210 nan 0.000 0.418 210 S N 0.009 115.636 115.700 -0.122 0.000 2.597 210 S HA 0.093 4.563 4.470 0.000 0.000 0.224 210 S C 1.761 176.253 174.600 -0.180 0.000 0.955 210 S CA -0.420 57.691 58.200 -0.148 0.000 0.933 210 S CB -0.130 62.986 63.200 -0.139 0.000 0.788 210 S HN 0.315 nan 8.310 nan 0.000 0.488 211 R N 2.177 122.581 120.500 -0.161 0.000 2.083 211 R HA -0.116 4.224 4.340 0.000 0.000 0.237 211 R C 2.243 178.417 176.300 -0.209 0.000 1.137 211 R CA 2.008 58.011 56.100 -0.160 0.000 0.951 211 R CB -0.497 29.732 30.300 -0.119 0.000 0.851 211 R HN 0.631 nan 8.270 nan 0.000 0.434 212 S N -0.778 114.785 115.700 -0.229 0.000 2.522 212 S HA -0.069 4.401 4.470 0.000 0.000 0.227 212 S C 1.684 175.900 174.600 -0.641 0.000 0.986 212 S CA 0.467 58.481 58.200 -0.309 0.000 0.929 212 S CB -0.268 62.816 63.200 -0.194 0.000 0.769 212 S HN 0.581 nan 8.310 nan 0.000 0.529 213 C N 1.502 120.442 119.300 -0.600 0.000 2.742 213 C HA 0.639 5.099 4.460 0.000 0.000 0.283 213 C C 0.609 175.214 174.990 -0.641 0.000 1.451 213 C CA -0.401 58.130 59.018 -0.813 0.000 1.785 213 C CB -1.765 25.772 27.740 -0.339 0.000 2.664 213 C HN 0.540 nan 8.230 nan 0.000 0.544 214 T N -3.385 110.843 114.554 -0.543 0.000 2.900 214 T HA 0.438 4.788 4.350 0.000 0.000 0.303 214 T C 0.210 174.968 174.700 0.097 0.000 1.142 214 T CA -0.555 61.489 62.100 -0.094 0.000 1.007 214 T CB 1.667 70.487 68.868 -0.081 0.000 1.156 214 T HN 0.191 nan 8.240 nan 0.000 0.490 215 K N -0.186 120.394 120.400 0.300 0.000 2.217 215 K HA 0.137 4.457 4.320 0.000 0.000 0.202 215 K C -0.163 176.631 176.600 0.324 0.000 1.051 215 K CA 0.733 57.218 56.287 0.330 0.000 0.952 215 K CB 0.152 32.803 32.500 0.251 0.000 0.736 215 K HN 0.680 nan 8.250 nan 0.000 0.453 216 W N 0.722 122.036 121.300 0.023 0.000 3.319 216 W HA 0.168 4.828 4.660 0.000 0.000 0.300 216 W C -2.211 174.290 176.519 -0.030 0.000 1.244 216 W CA -0.883 56.461 57.345 -0.002 0.000 1.193 216 W CB 0.818 30.282 29.460 0.008 0.000 1.359 216 W HN 0.020 nan 8.180 nan 0.000 0.568 217 N N 2.790 120.979 118.700 -0.853 0.000 2.825 217 N HA 0.791 5.531 4.740 0.000 0.000 0.253 217 N C -2.216 172.584 175.510 -1.183 0.000 1.426 217 N CA -0.655 51.872 53.050 -0.872 0.000 0.851 217 N CB 2.318 40.554 38.487 -0.419 0.000 1.470 217 N HN 0.723 nan 8.380 nan 0.000 0.517 218 V N -0.841 118.607 119.914 -0.777 0.000 3.278 218 V HA 0.573 4.693 4.120 0.000 0.000 0.288 218 V C -1.799 174.146 176.094 -0.248 0.000 1.514 218 V CA -0.908 61.079 62.300 -0.523 0.000 1.051 218 V CB 2.123 33.604 31.823 -0.571 0.000 1.163 218 V HN 0.946 nan 8.190 nan 0.000 0.458 219 M N 4.431 123.951 119.600 -0.133 0.000 2.125 219 M HA 0.597 5.077 4.480 0.000 0.000 0.321 219 M C -1.285 175.015 176.300 -0.001 0.000 0.983 219 M CA -0.624 54.642 55.300 -0.056 0.000 0.934 219 M CB 1.495 34.065 32.600 -0.051 0.000 1.542 219 M HN 0.574 nan 8.290 nan 0.000 0.424 220 V N 6.668 126.607 119.914 0.042 0.000 2.529 220 V HA 0.043 4.163 4.120 0.000 0.000 0.292 220 V C 1.061 177.186 176.094 0.051 0.000 1.028 220 V CA 0.163 62.508 62.300 0.074 0.000 1.074 220 V CB 0.465 32.355 31.823 0.112 0.000 0.958 220 V HN 0.854 nan 8.190 nan 0.000 0.481 221 K N 2.584 123.014 120.400 0.051 0.000 2.356 221 K HA 0.157 4.477 4.320 0.000 0.000 0.195 221 K C 0.673 177.297 176.600 0.040 0.000 1.037 221 K CA 0.593 56.903 56.287 0.038 0.000 1.014 221 K CB 0.535 33.056 32.500 0.035 0.000 0.815 221 K HN 0.847 nan 8.250 nan 0.000 0.507 222 S N -1.830 113.901 115.700 0.052 0.000 2.565 222 S HA 0.170 4.640 4.470 0.000 0.000 0.269 222 S C 0.577 175.213 174.600 0.060 0.000 1.153 222 S CA -0.651 57.578 58.200 0.049 0.000 0.835 222 S CB 1.567 64.795 63.200 0.046 0.000 1.122 222 S HN -0.204 nan 8.310 nan 0.000 0.462 223 V N 1.319 121.265 119.914 0.053 0.000 2.594 223 V HA -0.090 4.030 4.120 0.000 0.000 0.253 223 V C 2.041 178.181 176.094 0.077 0.000 1.069 223 V CA 2.579 64.914 62.300 0.058 0.000 1.082 223 V CB -1.020 30.828 31.823 0.042 0.000 0.680 223 V HN 0.936 nan 8.190 nan 0.000 0.469 224 E N 0.013 120.260 120.200 0.077 0.000 2.204 224 E HA -0.202 4.148 4.350 0.000 0.000 0.194 224 E C 2.139 178.801 176.600 0.103 0.000 0.989 224 E CA 1.343 57.797 56.400 0.091 0.000 0.824 224 E CB -0.158 29.586 29.700 0.074 0.000 0.756 224 E HN 0.756 nan 8.360 nan 0.000 0.477 225 E N -0.058 120.201 120.200 0.098 0.000 2.371 225 E HA -0.091 4.259 4.350 0.000 0.000 0.194 225 E C 1.674 178.356 176.600 0.137 0.000 1.012 225 E CA -0.029 56.438 56.400 0.112 0.000 0.860 225 E CB 0.122 29.883 29.700 0.102 0.000 0.811 225 E HN 0.128 nan 8.360 nan 0.000 0.502 226 L N 1.667 122.968 121.223 0.131 0.000 1.990 226 L HA -0.134 4.206 4.340 0.000 0.000 0.213 226 L C -1.034 175.934 176.870 0.163 0.000 1.072 226 L CA 2.168 57.097 54.840 0.149 0.000 0.755 226 L CB -1.152 40.974 42.059 0.111 0.000 0.889 226 L HN 0.090 nan 8.230 nan 0.000 0.432 227 P HA -0.178 nan 4.420 nan 0.000 0.215 227 P C 1.943 179.343 177.300 0.166 0.000 1.157 227 P CA 1.251 64.453 63.100 0.170 0.000 0.868 227 P CB -0.138 31.723 31.700 0.267 0.000 0.788 228 L N -0.411 120.907 121.223 0.158 0.000 1.971 228 L HA -0.195 4.145 4.340 0.000 0.000 0.215 228 L C 2.247 179.228 176.870 0.185 0.000 1.072 228 L CA 2.112 57.038 54.840 0.144 0.000 0.758 228 L CB -0.915 41.222 42.059 0.129 0.000 0.889 228 L HN -0.201 nan 8.230 nan 0.000 0.433 229 R N -0.012 120.632 120.500 0.240 0.000 2.091 229 R HA -0.096 4.244 4.340 0.000 0.000 0.238 229 R C 2.329 178.860 176.300 0.386 0.000 1.136 229 R CA 1.930 58.239 56.100 0.349 0.000 0.959 229 R CB -1.176 29.329 30.300 0.341 0.000 0.856 229 R HN 0.500 nan 8.270 nan 0.000 0.437 230 I N 1.418 122.204 120.570 0.360 0.000 2.142 230 I HA -0.301 3.869 4.170 0.000 0.000 0.240 230 I C 1.880 178.245 176.117 0.413 0.000 1.078 230 I CA 1.282 62.852 61.300 0.450 0.000 1.343 230 I CB -0.399 37.777 38.000 0.292 0.000 1.046 230 I HN 0.150 nan 8.210 nan 0.000 0.405 231 N N 0.790 119.632 118.700 0.237 0.000 2.149 231 N HA -0.190 4.550 4.740 0.000 0.000 0.188 231 N C 1.699 177.301 175.510 0.152 0.000 1.019 231 N CA 1.367 54.518 53.050 0.169 0.000 0.857 231 N CB -0.250 38.290 38.487 0.089 0.000 0.997 231 N HN 0.495 nan 8.380 nan 0.000 0.426 232 E N 0.884 121.140 120.200 0.093 0.000 2.072 232 E HA -0.067 4.283 4.350 0.000 0.000 0.191 232 E C 2.044 178.570 176.600 -0.124 0.000 0.985 232 E CA 0.960 57.293 56.400 -0.112 0.000 0.801 232 E CB -0.103 29.431 29.700 -0.277 0.000 0.750 232 E HN 0.322 nan 8.360 nan 0.000 0.452 233 A N 1.098 124.006 122.820 0.146 0.000 1.883 233 A HA -0.197 4.123 4.320 0.000 0.000 0.217 233 A C 1.932 179.553 177.584 0.062 0.000 1.186 233 A CA 1.392 53.560 52.037 0.219 0.000 0.624 233 A CB -0.841 18.320 19.000 0.267 0.000 0.822 233 A HN 0.177 nan 8.150 nan 0.000 0.444 234 F N -0.250 119.745 119.950 0.075 0.000 2.234 234 F HA -0.061 4.466 4.527 0.000 0.000 0.299 234 F C 2.353 178.165 175.800 0.021 0.000 1.087 234 F CA 1.547 59.584 58.000 0.061 0.000 1.340 234 F CB -0.212 38.833 39.000 0.074 0.000 1.031 234 F HN 0.425 nan 8.300 nan 0.000 0.500 235 E N 0.766 121.056 120.200 0.150 0.000 2.047 235 E HA -0.192 4.158 4.350 0.000 0.000 0.191 235 E C 2.260 178.856 176.600 -0.007 0.000 0.987 235 E CA 1.470 57.901 56.400 0.050 0.000 0.799 235 E CB -0.214 29.482 29.700 -0.007 0.000 0.752 235 E HN 0.395 nan 8.360 nan 0.000 0.449 236 I N 0.998 121.528 120.570 -0.068 0.000 2.252 236 I HA -0.217 3.953 4.170 0.000 0.000 0.245 236 I C 2.590 178.703 176.117 -0.006 0.000 1.102 236 I CA 0.931 62.187 61.300 -0.073 0.000 1.385 236 I CB -0.336 37.573 38.000 -0.153 0.000 1.064 236 I HN 0.175 nan 8.210 nan 0.000 0.414 237 A N 0.584 123.402 122.820 -0.003 0.000 1.972 237 A HA -0.192 4.128 4.320 0.000 0.000 0.219 237 A C 2.228 179.818 177.584 0.009 0.000 1.169 237 A CA 2.260 54.292 52.037 -0.007 0.000 0.635 237 A CB -0.911 18.035 19.000 -0.090 0.000 0.810 237 A HN 0.533 nan 8.150 nan 0.000 0.446 238 T N -2.603 111.967 114.554 0.027 0.000 3.092 238 T HA 0.322 4.672 4.350 0.000 0.000 0.258 238 T C 0.621 175.340 174.700 0.031 0.000 1.031 238 T CA 0.466 62.591 62.100 0.042 0.000 0.925 238 T CB -0.400 68.514 68.868 0.076 0.000 1.036 238 T HN 0.528 nan 8.240 nan 0.000 0.544 239 S N -0.312 115.400 115.700 0.019 0.000 2.704 239 S HA 0.795 5.265 4.470 0.000 0.000 0.305 239 S C 1.055 175.661 174.600 0.009 0.000 1.107 239 S CA -0.205 58.003 58.200 0.015 0.000 0.993 239 S CB 1.053 64.256 63.200 0.005 0.000 1.110 239 S HN 1.032 nan 8.310 nan 0.000 0.534 240 G N 1.519 110.325 108.800 0.011 0.000 2.634 240 G HA2 -0.320 3.640 3.960 0.000 0.000 0.309 240 G HA3 -0.320 3.640 3.960 0.000 0.000 0.309 240 G C -0.125 174.775 174.900 -0.000 0.000 1.265 240 G CA 0.440 45.543 45.100 0.005 0.000 0.998 240 G HN 1.026 nan 8.290 nan 0.000 0.551 241 R N 1.731 122.222 120.500 -0.016 0.000 2.216 241 R HA 0.438 4.778 4.340 0.000 0.000 0.332 241 R C -2.211 174.069 176.300 -0.032 0.000 1.056 241 R CA -1.455 54.625 56.100 -0.034 0.000 0.901 241 R CB 0.606 30.866 30.300 -0.068 0.000 1.039 241 R HN 0.261 nan 8.270 nan 0.000 0.456 242 P HA 0.110 nan 4.420 nan 0.000 0.269 242 P C -0.554 176.733 177.300 -0.022 0.000 1.217 242 P CA 0.070 63.166 63.100 -0.006 0.000 0.783 242 P CB 0.875 32.581 31.700 0.008 0.000 0.898 243 G N 0.772 109.576 108.800 0.007 0.000 2.495 243 G HA2 0.490 4.450 3.960 0.000 0.000 0.294 243 G HA3 0.490 4.450 3.960 0.000 0.000 0.294 243 G C -3.319 171.621 174.900 0.068 0.000 1.397 243 G CA -0.890 44.230 45.100 0.033 0.000 0.790 243 G HN 0.281 nan 8.290 nan 0.000 0.486 244 P HA 0.535 nan 4.420 nan 0.000 0.286 244 P C -0.386 176.957 177.300 0.072 0.000 1.261 244 P CA -0.422 62.720 63.100 0.069 0.000 0.821 244 P CB 1.909 33.656 31.700 0.079 0.000 1.013 245 V N 1.200 121.114 119.914 -0.001 0.000 2.962 245 V HA 0.707 4.827 4.120 0.000 0.000 0.313 245 V C -0.945 175.083 176.094 -0.111 0.000 1.099 245 V CA -1.185 61.129 62.300 0.023 0.000 0.971 245 V CB 2.022 33.934 31.823 0.149 0.000 1.028 245 V HN 0.508 nan 8.190 nan 0.000 0.430 246 L N 3.308 124.438 121.223 -0.155 0.000 2.365 246 L HA 0.884 5.224 4.340 0.000 0.000 0.273 246 L C -1.325 175.384 176.870 -0.268 0.000 1.000 246 L CA -0.611 54.095 54.840 -0.223 0.000 0.819 246 L CB 2.100 44.051 42.059 -0.180 0.000 1.284 246 L HN 0.680 nan 8.230 nan 0.000 0.418 247 V N 3.289 123.052 119.914 -0.251 0.000 2.409 247 V HA 0.292 4.412 4.120 0.000 0.000 0.290 247 V C -0.836 175.264 176.094 0.011 0.000 1.017 247 V CA -0.570 61.660 62.300 -0.116 0.000 0.841 247 V CB 1.421 33.242 31.823 -0.002 0.000 1.003 247 V HN 0.674 nan 8.190 nan 0.000 0.426 248 D N 4.543 124.927 120.400 -0.026 0.000 2.317 248 D HA 0.400 5.040 4.640 0.000 0.000 0.252 248 D C -0.416 175.913 176.300 0.049 0.000 1.174 248 D CA 0.141 54.141 54.000 -0.001 0.000 0.866 248 D CB 0.924 41.693 40.800 -0.052 0.000 1.127 248 D HN 0.428 nan 8.370 nan 0.000 0.467 249 L N 6.212 127.476 121.223 0.068 0.000 2.313 249 L HA 0.389 4.729 4.340 0.000 0.000 0.273 249 L C -2.154 174.726 176.870 0.017 0.000 1.028 249 L CA -1.971 52.907 54.840 0.062 0.000 0.871 249 L CB 1.448 43.552 42.059 0.074 0.000 1.242 249 L HN 0.185 nan 8.230 nan 0.000 0.434 250 P HA 0.018 nan 4.420 nan 0.000 0.268 250 P C 0.494 177.790 177.300 -0.007 0.000 1.204 250 P CA -0.142 62.958 63.100 -0.001 0.000 0.768 250 P CB 0.949 32.651 31.700 0.003 0.000 0.842 251 K N 3.297 123.688 120.400 -0.015 0.000 2.044 251 K HA -0.240 4.080 4.320 0.000 0.000 0.210 251 K C 1.296 177.888 176.600 -0.014 0.000 1.049 251 K CA 2.150 58.425 56.287 -0.020 0.000 0.927 251 K CB -0.324 32.165 32.500 -0.019 0.000 0.713 251 K HN 0.536 nan 8.250 nan 0.000 0.443 252 D N 0.068 120.464 120.400 -0.006 0.000 2.178 252 D HA -0.138 4.502 4.640 0.000 0.000 0.201 252 D C 1.877 178.178 176.300 0.002 0.000 0.980 252 D CA 0.935 54.934 54.000 -0.002 0.000 0.842 252 D CB -0.455 40.347 40.800 0.002 0.000 0.948 252 D HN 0.142 nan 8.370 nan 0.000 0.472 253 V N 1.310 121.228 119.914 0.005 0.000 2.379 253 V HA -0.185 3.935 4.120 0.000 0.000 0.245 253 V C 2.809 178.907 176.094 0.008 0.000 1.044 253 V CA 2.269 64.578 62.300 0.014 0.000 1.036 253 V CB -0.863 30.976 31.823 0.026 0.000 0.664 253 V HN 0.498 nan 8.190 nan 0.000 0.453 254 T N -1.568 112.982 114.554 -0.007 0.000 3.023 254 T HA 0.059 4.409 4.350 0.000 0.000 0.266 254 T C 1.657 176.339 174.700 -0.031 0.000 1.093 254 T CA 1.106 63.191 62.100 -0.026 0.000 1.129 254 T CB -0.124 68.706 68.868 -0.064 0.000 0.899 254 T HN 0.413 nan 8.240 nan 0.000 0.491 255 A N 1.059 123.865 122.820 -0.023 0.000 2.178 255 A HA 0.746 5.066 4.320 0.000 0.000 0.211 255 A C 1.522 179.099 177.584 -0.012 0.000 1.157 255 A CA 0.226 52.250 52.037 -0.022 0.000 0.780 255 A CB -0.626 18.363 19.000 -0.020 0.000 0.828 255 A HN 0.738 nan 8.150 nan 0.000 0.476 256 A N -0.214 122.603 122.820 -0.004 0.000 2.346 256 A HA 0.587 4.907 4.320 0.000 0.000 0.252 256 A C -0.059 177.528 177.584 0.005 0.000 1.089 256 A CA -0.078 51.962 52.037 0.004 0.000 0.797 256 A CB 0.067 19.074 19.000 0.011 0.000 1.047 256 A HN 0.346 nan 8.150 nan 0.000 0.494 257 I N 0.949 121.526 120.570 0.011 0.000 2.404 257 I HA 0.182 4.352 4.170 0.000 0.000 0.293 257 I C -0.491 175.643 176.117 0.028 0.000 0.992 257 I CA -0.749 60.561 61.300 0.016 0.000 1.149 257 I CB 1.670 39.679 38.000 0.014 0.000 1.315 257 I HN 0.583 nan 8.210 nan 0.000 0.446 258 L N 7.876 129.123 121.223 0.039 0.000 2.500 258 L HA 0.150 4.490 4.340 0.000 0.000 0.272 258 L C 1.120 178.022 176.870 0.054 0.000 1.149 258 L CA 0.653 55.528 54.840 0.058 0.000 0.897 258 L CB -0.035 42.079 42.059 0.092 0.000 1.178 258 L HN 0.522 nan 8.230 nan 0.000 0.473 259 R N 2.429 122.956 120.500 0.045 0.000 2.175 259 R HA 0.268 4.608 4.340 0.000 0.000 0.202 259 R C -0.108 176.215 176.300 0.038 0.000 1.018 259 R CA 0.353 56.476 56.100 0.037 0.000 1.029 259 R CB -0.234 30.083 30.300 0.029 0.000 0.959 259 R HN 0.634 nan 8.270 nan 0.000 0.480 260 N N 1.614 120.339 118.700 0.042 0.000 2.430 260 N HA 0.360 5.100 4.740 0.000 0.000 0.298 260 N C -2.615 172.921 175.510 0.043 0.000 1.130 260 N CA -1.726 51.347 53.050 0.037 0.000 0.894 260 N CB 1.082 39.588 38.487 0.033 0.000 1.209 260 N HN -0.163 nan 8.380 nan 0.000 0.503 261 P HA 0.257 nan 4.420 nan 0.000 0.272 261 P C -0.361 176.955 177.300 0.025 0.000 1.230 261 P CA -0.139 62.974 63.100 0.021 0.000 0.788 261 P CB 0.630 32.334 31.700 0.006 0.000 0.949 262 I N -2.432 118.148 120.570 0.017 0.000 2.892 262 I HA 0.617 4.787 4.170 0.000 0.000 0.306 262 I C -2.817 173.300 176.117 0.001 0.000 1.078 262 I CA -3.664 57.652 61.300 0.026 0.000 1.032 262 I CB 2.119 40.156 38.000 0.061 0.000 1.229 262 I HN 0.018 nan 8.210 nan 0.000 0.435 263 P HA 0.084 nan 4.420 nan 0.000 0.261 263 P C 0.535 177.826 177.300 -0.016 0.000 1.203 263 P CA 0.245 63.345 63.100 -0.000 0.000 0.767 263 P CB 0.640 32.348 31.700 0.013 0.000 0.785 264 T N 1.933 116.466 114.554 -0.035 0.000 2.685 264 T HA -0.295 4.055 4.350 0.000 0.000 0.268 264 T C 2.139 176.816 174.700 -0.038 0.000 1.034 264 T CA 2.417 64.483 62.100 -0.057 0.000 1.149 264 T CB -0.651 68.183 68.868 -0.056 0.000 0.860 264 T HN 0.492 nan 8.240 nan 0.000 0.449 265 K N 1.465 121.855 120.400 -0.018 0.000 2.020 265 K HA -0.203 4.117 4.320 0.000 0.000 0.212 265 K C 2.386 178.989 176.600 0.006 0.000 1.050 265 K CA 2.312 58.595 56.287 -0.006 0.000 0.929 265 K CB -2.079 30.421 32.500 0.000 0.000 0.714 265 K HN 0.733 nan 8.250 nan 0.000 0.443 266 T N -1.289 113.276 114.554 0.018 0.000 3.139 266 T HA -0.099 4.251 4.350 0.000 0.000 0.267 266 T C 1.612 176.350 174.700 0.063 0.000 1.164 266 T CA 1.801 63.928 62.100 0.045 0.000 1.075 266 T CB -0.804 68.100 68.868 0.060 0.000 0.904 266 T HN 0.657 nan 8.240 nan 0.000 0.540 267 T N -1.301 113.272 114.554 0.031 0.000 3.044 267 T HA 0.443 4.793 4.350 0.000 0.000 0.260 267 T C 0.305 175.023 174.700 0.029 0.000 1.019 267 T CA -0.596 61.533 62.100 0.049 0.000 0.921 267 T CB -0.144 68.672 68.868 -0.086 0.000 1.053 267 T HN 0.382 nan 8.240 nan 0.000 0.533 268 L N 2.271 123.499 121.223 0.009 0.000 2.296 268 L HA 0.536 4.876 4.340 0.000 0.000 0.286 268 L C -2.475 174.398 176.870 0.005 0.000 1.023 268 L CA -2.645 52.195 54.840 -0.001 0.000 0.812 268 L CB 1.481 43.532 42.059 -0.014 0.000 1.223 268 L HN -0.090 nan 8.230 nan 0.000 0.421 269 P HA 0.025 nan 4.420 nan 0.000 0.269 269 P C -0.229 177.075 177.300 0.007 0.000 1.200 269 P CA 0.511 63.608 63.100 -0.004 0.000 0.779 269 P CB 0.519 32.204 31.700 -0.026 0.000 0.841 281 Q N 0.161 119.995 119.800 0.056 0.000 2.488 281 Q HA -0.136 4.204 4.340 0.000 0.000 0.211 281 Q C 1.036 177.110 176.000 0.122 0.000 0.967 281 Q CA 1.397 57.264 55.803 0.108 0.000 0.926 281 Q CB -0.146 28.659 28.738 0.111 0.000 0.992 281 Q HN 0.575 nan 8.270 nan 0.000 0.506 282 D N 1.057 121.501 120.400 0.074 0.000 2.280 282 D HA -0.241 4.399 4.640 0.000 0.000 0.206 282 D C 1.458 177.792 176.300 0.056 0.000 0.988 282 D CA 1.266 55.300 54.000 0.056 0.000 0.886 282 D CB 0.130 40.954 40.800 0.039 0.000 0.914 282 D HN 0.551 nan 8.370 nan 0.000 0.473 283 E N -1.595 118.652 120.200 0.077 0.000 2.075 283 E HA -0.114 4.236 4.350 0.000 0.000 0.190 283 E C 1.937 178.596 176.600 0.099 0.000 0.969 283 E CA 0.062 56.506 56.400 0.074 0.000 0.815 283 E CB -0.308 29.438 29.700 0.076 0.000 0.776 283 E HN 0.248 nan 8.360 nan 0.000 0.457 284 F N 1.210 121.155 119.950 -0.007 0.000 2.202 284 F HA -0.184 4.343 4.527 0.000 0.000 0.301 284 F C 1.886 177.676 175.800 -0.018 0.000 1.082 284 F CA 1.050 59.042 58.000 -0.013 0.000 1.313 284 F CB -0.222 38.769 39.000 -0.015 0.000 1.024 284 F HN -0.102 nan 8.300 nan 0.000 0.495 285 V N -0.046 119.824 119.914 -0.074 0.000 2.453 285 V HA -0.275 3.845 4.120 0.000 0.000 0.247 285 V C 2.313 178.315 176.094 -0.152 0.000 1.048 285 V CA 1.822 64.025 62.300 -0.162 0.000 1.049 285 V CB -0.495 31.309 31.823 -0.032 0.000 0.672 285 V HN 0.410 nan 8.190 nan 0.000 0.457 286 M N -0.142 119.411 119.600 -0.077 0.000 2.229 286 M HA -0.138 4.342 4.480 0.000 0.000 0.264 286 M C 2.044 178.293 176.300 -0.085 0.000 1.063 286 M CA 1.659 56.926 55.300 -0.054 0.000 1.114 286 M CB -0.727 31.865 32.600 -0.014 0.000 1.387 286 M HN 0.363 nan 8.290 nan 0.000 0.420 287 Q N -1.081 118.644 119.800 -0.125 0.000 2.079 287 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 287 Q C 1.843 177.721 176.000 -0.204 0.000 0.974 287 Q CA 1.868 57.592 55.803 -0.132 0.000 0.840 287 Q CB -0.021 28.652 28.738 -0.109 0.000 0.898 287 Q HN 0.539 nan 8.270 nan 0.000 0.430 288 S N 0.545 116.033 115.700 -0.355 0.000 2.399 288 S HA -0.088 4.382 4.470 0.000 0.000 0.231 288 S C 1.793 176.254 174.600 -0.231 0.000 1.022 288 S CA 0.861 58.840 58.200 -0.367 0.000 0.983 288 S CB -0.126 62.756 63.200 -0.530 0.000 0.803 288 S HN 0.374 nan 8.310 nan 0.000 0.480 289 I N 1.802 122.275 120.570 -0.162 0.000 2.353 289 I HA -0.154 4.016 4.170 0.000 0.000 0.248 289 I C 2.098 178.197 176.117 -0.031 0.000 1.119 289 I CA 0.755 62.015 61.300 -0.067 0.000 1.417 289 I CB -0.343 37.650 38.000 -0.012 0.000 1.078 289 I HN 0.252 nan 8.210 nan 0.000 0.421 290 N N 0.971 119.644 118.700 -0.045 0.000 2.106 290 N HA -0.138 4.602 4.740 0.000 0.000 0.188 290 N C 1.827 177.322 175.510 -0.025 0.000 1.029 290 N CA 1.073 54.111 53.050 -0.021 0.000 0.848 290 N CB -0.209 38.265 38.487 -0.022 0.000 1.007 290 N HN 0.181 nan 8.380 nan 0.000 0.423 291 K N 1.439 121.805 120.400 -0.056 0.000 2.063 291 K HA -0.021 4.299 4.320 0.000 0.000 0.208 291 K C 1.940 178.518 176.600 -0.036 0.000 1.048 291 K CA 0.985 57.241 56.287 -0.051 0.000 0.928 291 K CB -0.643 31.809 32.500 -0.080 0.000 0.713 291 K HN 0.166 nan 8.250 nan 0.000 0.442 292 A N 1.110 123.898 122.820 -0.052 0.000 1.933 292 A HA -0.061 4.259 4.320 0.000 0.000 0.218 292 A C 2.380 179.998 177.584 0.056 0.000 1.175 292 A CA 1.979 54.008 52.037 -0.014 0.000 0.628 292 A CB -0.507 18.453 19.000 -0.067 0.000 0.814 292 A HN 0.304 nan 8.150 nan 0.000 0.444 293 A N 0.005 122.859 122.820 0.057 0.000 1.930 293 A HA -0.152 4.168 4.320 0.000 0.000 0.217 293 A C 1.762 179.382 177.584 0.059 0.000 1.175 293 A CA 1.737 53.820 52.037 0.076 0.000 0.627 293 A CB -0.495 18.546 19.000 0.068 0.000 0.815 293 A HN 0.455 nan 8.150 nan 0.000 0.443 294 D N 0.101 120.520 120.400 0.032 0.000 2.117 294 D HA -0.121 4.519 4.640 0.000 0.000 0.197 294 D C 1.947 178.258 176.300 0.019 0.000 0.987 294 D CA 0.995 55.006 54.000 0.019 0.000 0.829 294 D CB -0.321 40.479 40.800 0.001 0.000 0.961 294 D HN 0.433 nan 8.370 nan 0.000 0.460 295 L N 0.479 121.714 121.223 0.020 0.000 2.046 295 L HA -0.122 4.218 4.340 0.000 0.000 0.208 295 L C 2.518 179.409 176.870 0.034 0.000 1.077 295 L CA 0.667 55.518 54.840 0.019 0.000 0.747 295 L CB -0.185 41.886 42.059 0.020 0.000 0.896 295 L HN 0.020 nan 8.230 nan 0.000 0.432 296 I N -0.236 120.371 120.570 0.062 0.000 2.252 296 I HA -0.275 3.895 4.170 0.000 0.000 0.245 296 I C 2.070 178.234 176.117 0.078 0.000 1.102 296 I CA 0.966 62.313 61.300 0.078 0.000 1.385 296 I CB -0.393 37.671 38.000 0.107 0.000 1.064 296 I HN 0.348 nan 8.210 nan 0.000 0.414 297 N N 0.815 119.563 118.700 0.081 0.000 2.244 297 N HA -0.159 4.581 4.740 0.000 0.000 0.183 297 N C 1.785 177.321 175.510 0.043 0.000 1.016 297 N CA 1.092 54.200 53.050 0.096 0.000 0.866 297 N CB -0.323 38.215 38.487 0.085 0.000 0.980 297 N HN 0.249 nan 8.380 nan 0.000 0.430 298 L N 0.874 122.106 121.223 0.014 0.000 2.179 298 L HA 0.210 4.550 4.340 0.000 0.000 0.208 298 L C 0.694 177.549 176.870 -0.024 0.000 1.096 298 L CA 0.464 55.295 54.840 -0.015 0.000 0.779 298 L CB -0.780 41.267 42.059 -0.021 0.000 0.922 298 L HN -0.018 nan 8.230 nan 0.000 0.443 299 A N -0.363 122.446 122.820 -0.018 0.000 2.483 299 A HA 0.117 4.437 4.320 0.000 0.000 0.238 299 A C 1.139 178.675 177.584 -0.079 0.000 1.070 299 A CA 0.311 52.315 52.037 -0.055 0.000 0.770 299 A CB 0.156 19.129 19.000 -0.045 0.000 1.008 299 A HN 0.460 nan 8.150 nan 0.000 0.497 300 K N 0.233 120.537 120.400 -0.161 0.000 2.350 300 K HA 0.093 4.414 4.320 0.000 0.000 0.196 300 K C -0.126 176.219 176.600 -0.425 0.000 1.084 300 K CA 0.682 56.849 56.287 -0.201 0.000 0.967 300 K CB 0.323 32.712 32.500 -0.186 0.000 0.950 300 K HN 0.639 nan 8.250 nan 0.000 0.512 301 K N 2.067 122.080 120.400 -0.645 0.000 2.877 301 K HA 0.240 4.560 4.320 0.000 0.000 0.176 301 K C -2.802 173.357 176.600 -0.735 0.000 1.075 301 K CA -1.418 54.009 56.287 -1.433 0.000 0.939 301 K CB 1.677 33.043 32.500 -1.890 0.000 1.237 301 K HN 0.021 nan 8.250 nan 0.000 0.607 302 P HA 0.283 nan 4.420 nan 0.000 0.279 302 P C -0.438 177.003 177.300 0.233 0.000 1.252 302 P CA -0.492 62.620 63.100 0.020 0.000 0.811 302 P CB 1.832 33.560 31.700 0.046 0.000 1.035 303 V N 2.634 122.655 119.914 0.178 0.000 2.733 303 V HA 0.271 4.391 4.120 0.000 0.000 0.306 303 V C 0.096 176.267 176.094 0.128 0.000 1.084 303 V CA -0.690 61.717 62.300 0.178 0.000 0.905 303 V CB 2.106 34.041 31.823 0.186 0.000 1.010 303 V HN 0.410 nan 8.190 nan 0.000 0.424 304 L N 4.853 126.122 121.223 0.076 0.000 2.261 304 L HA 0.417 4.757 4.340 0.000 0.000 0.289 304 L C -1.018 175.894 176.870 0.070 0.000 1.059 304 L CA -0.512 54.353 54.840 0.043 0.000 0.816 304 L CB 0.648 42.675 42.059 -0.054 0.000 1.191 304 L HN 0.728 nan 8.230 nan 0.000 0.431 305 Y N 5.588 125.867 120.300 -0.036 0.000 2.593 305 Y HA 0.493 5.043 4.550 0.000 0.000 0.331 305 Y C -0.823 175.017 175.900 -0.100 0.000 0.986 305 Y CA -1.089 56.965 58.100 -0.075 0.000 1.262 305 Y CB 0.668 39.079 38.460 -0.082 0.000 1.098 305 Y HN 0.179 nan 8.280 nan 0.000 0.506 306 V N 6.297 126.064 119.914 -0.245 0.000 2.483 306 V HA 0.834 4.954 4.120 0.000 0.000 0.295 306 V C 0.550 176.449 176.094 -0.326 0.000 1.035 306 V CA -0.051 62.075 62.300 -0.291 0.000 0.896 306 V CB 1.062 32.799 31.823 -0.144 0.000 0.986 306 V HN 0.930 nan 8.190 nan 0.000 0.447 307 G N 1.821 110.423 108.800 -0.329 0.000 3.251 307 G HA2 0.590 4.550 3.960 0.000 0.000 0.248 307 G HA3 0.590 4.550 3.960 0.000 0.000 0.248 307 G C 0.908 175.710 174.900 -0.163 0.000 1.320 307 G CA 0.059 45.004 45.100 -0.258 0.000 0.982 307 G HN 0.840 nan 8.290 nan 0.000 0.575 308 A N -0.715 122.020 122.820 -0.141 0.000 1.948 308 A HA 0.051 4.371 4.320 0.000 0.000 0.220 308 A C 2.582 180.114 177.584 -0.087 0.000 1.177 308 A CA 2.655 54.623 52.037 -0.115 0.000 0.636 308 A CB -1.256 17.679 19.000 -0.107 0.000 0.815 308 A HN 1.372 nan 8.150 nan 0.000 0.449 309 G N -0.125 108.631 108.800 -0.075 0.000 2.507 309 G HA2 -0.264 3.696 3.960 0.000 0.000 0.221 309 G HA3 -0.264 3.696 3.960 0.000 0.000 0.221 309 G C 1.385 176.271 174.900 -0.023 0.000 1.119 309 G CA 1.284 46.361 45.100 -0.038 0.000 0.751 309 G HN 0.516 nan 8.290 nan 0.000 0.574 310 I N 0.353 120.894 120.570 -0.049 0.000 2.756 310 I HA 0.061 4.231 4.170 0.000 0.000 0.262 310 I C 2.137 178.256 176.117 0.005 0.000 1.225 310 I CA 0.552 61.833 61.300 -0.032 0.000 1.472 310 I CB 0.018 37.986 38.000 -0.053 0.000 1.094 310 I HN 0.124 nan 8.210 nan 0.000 0.454 311 L N 0.042 121.247 121.223 -0.030 0.000 2.591 311 L HA 0.090 4.430 4.340 0.000 0.000 0.228 311 L C 0.931 177.870 176.870 0.114 0.000 1.133 311 L CA 0.087 54.899 54.840 -0.046 0.000 0.880 311 L CB -0.504 41.371 42.059 -0.307 0.000 1.033 311 L HN 0.147 nan 8.230 nan 0.000 0.450 312 N N -0.267 118.492 118.700 0.099 0.000 2.362 312 N HA 0.034 4.774 4.740 0.000 0.000 0.211 312 N C -0.488 175.117 175.510 0.159 0.000 1.170 312 N CA 0.288 53.410 53.050 0.119 0.000 0.828 312 N CB -0.100 38.429 38.487 0.070 0.000 1.034 312 N HN 0.384 nan 8.380 nan 0.000 0.475 313 H N -1.723 117.397 119.070 0.083 0.000 3.086 313 H HA 0.422 4.978 4.556 0.000 0.000 0.353 313 H C 0.445 175.820 175.328 0.079 0.000 1.134 313 H CA -0.426 55.660 56.048 0.062 0.000 1.248 313 H CB 1.264 31.049 29.762 0.039 0.000 1.878 313 H HN -0.071 nan 8.280 nan 0.000 0.527 314 A N 2.686 125.610 122.820 0.173 0.000 1.940 314 A HA -0.181 4.139 4.320 0.000 0.000 0.219 314 A C 1.445 179.173 177.584 0.239 0.000 1.176 314 A CA 2.020 54.158 52.037 0.169 0.000 0.631 314 A CB -0.181 18.847 19.000 0.047 0.000 0.814 314 A HN 0.847 nan 8.150 nan 0.000 0.446 315 D N -0.806 119.823 120.400 0.381 0.000 2.349 315 D HA 0.075 4.715 4.640 0.000 0.000 0.215 315 D C 1.909 178.234 176.300 0.041 0.000 1.016 315 D CA 0.804 54.891 54.000 0.143 0.000 0.870 315 D CB -0.289 40.553 40.800 0.070 0.000 0.917 315 D HN 0.429 nan 8.370 nan 0.000 0.524 316 G N 2.642 111.476 108.800 0.057 0.000 2.586 316 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 316 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 316 G C -0.678 174.235 174.900 0.023 0.000 1.216 316 G CA 0.649 45.750 45.100 0.002 0.000 0.786 316 G HN 0.281 nan 8.290 nan 0.000 0.583 317 P HA -0.070 nan 4.420 nan 0.000 0.216 317 P C 1.880 179.223 177.300 0.072 0.000 1.150 317 P CA 1.291 64.439 63.100 0.081 0.000 0.837 317 P CB -0.058 31.702 31.700 0.100 0.000 0.786 318 R N -0.116 120.416 120.500 0.054 0.000 2.066 318 R HA -0.058 4.282 4.340 0.000 0.000 0.232 318 R C 2.162 178.479 176.300 0.029 0.000 1.131 318 R CA 1.246 57.370 56.100 0.040 0.000 0.955 318 R CB -0.845 29.476 30.300 0.034 0.000 0.851 318 R HN 0.149 nan 8.270 nan 0.000 0.432 319 L N 0.855 122.080 121.223 0.003 0.000 2.141 319 L HA -0.164 4.176 4.340 0.000 0.000 0.209 319 L C 2.428 179.294 176.870 -0.007 0.000 1.094 319 L CA 0.443 55.272 54.840 -0.019 0.000 0.763 319 L CB -0.443 41.575 42.059 -0.068 0.000 0.908 319 L HN 0.297 nan 8.230 nan 0.000 0.437 320 L N 0.351 121.582 121.223 0.014 0.000 2.017 320 L HA -0.216 4.124 4.340 0.000 0.000 0.208 320 L C 2.556 179.505 176.870 0.132 0.000 1.073 320 L CA 1.846 56.710 54.840 0.041 0.000 0.745 320 L CB -0.649 41.455 42.059 0.074 0.000 0.894 320 L HN 0.100 nan 8.230 nan 0.000 0.432 321 K N -0.499 120.011 120.400 0.183 0.000 2.057 321 K HA -0.254 4.066 4.320 0.000 0.000 0.207 321 K C 2.136 178.819 176.600 0.138 0.000 1.049 321 K CA 1.787 58.213 56.287 0.232 0.000 0.931 321 K CB -0.133 32.431 32.500 0.106 0.000 0.714 321 K HN 0.534 nan 8.250 nan 0.000 0.440 322 E N 0.430 120.674 120.200 0.073 0.000 2.058 322 E HA -0.220 4.130 4.350 0.000 0.000 0.194 322 E C 2.070 178.696 176.600 0.043 0.000 0.997 322 E CA 1.130 57.556 56.400 0.043 0.000 0.801 322 E CB -0.052 29.659 29.700 0.018 0.000 0.746 322 E HN 0.194 nan 8.360 nan 0.000 0.450 323 L N 0.465 121.709 121.223 0.036 0.000 2.093 323 L HA -0.126 4.215 4.340 0.000 0.000 0.208 323 L C 2.373 179.278 176.870 0.057 0.000 1.085 323 L CA 2.068 56.925 54.840 0.028 0.000 0.755 323 L CB -0.743 41.312 42.059 -0.008 0.000 0.904 323 L HN 0.027 nan 8.230 nan 0.000 0.435 324 S N -1.035 114.717 115.700 0.086 0.000 2.382 324 S HA -0.177 4.293 4.470 0.000 0.000 0.228 324 S C 1.702 176.379 174.600 0.130 0.000 1.027 324 S CA 1.505 59.774 58.200 0.114 0.000 0.991 324 S CB -0.401 62.897 63.200 0.164 0.000 0.823 324 S HN 0.599 nan 8.310 nan 0.000 0.469 325 D N 0.699 121.166 120.400 0.110 0.000 2.120 325 D HA -0.033 4.607 4.640 0.000 0.000 0.202 325 D C 2.178 178.500 176.300 0.037 0.000 0.972 325 D CA 0.760 54.801 54.000 0.069 0.000 0.837 325 D CB -0.372 40.458 40.800 0.050 0.000 0.989 325 D HN 0.413 nan 8.370 nan 0.000 0.469 326 R N 0.816 121.333 120.500 0.028 0.000 2.083 326 R HA -0.076 4.264 4.340 0.000 0.000 0.237 326 R C 1.520 177.820 176.300 0.001 0.000 1.137 326 R CA 1.704 57.803 56.100 -0.003 0.000 0.951 326 R CB -0.021 30.276 30.300 -0.004 0.000 0.851 326 R HN 0.065 nan 8.270 nan 0.000 0.434 327 A N -0.176 122.674 122.820 0.050 0.000 2.465 327 A HA 0.160 4.480 4.320 0.000 0.000 0.255 327 A C -0.426 177.247 177.584 0.147 0.000 1.274 327 A CA -0.355 51.733 52.037 0.085 0.000 0.920 327 A CB 0.517 19.577 19.000 0.100 0.000 1.033 327 A HN 0.373 nan 8.150 nan 0.000 0.516 328 Q N -0.173 119.716 119.800 0.148 0.000 2.439 328 Q HA -0.184 4.156 4.340 0.000 0.000 0.361 328 Q C -0.713 175.537 176.000 0.417 0.000 1.408 328 Q CA 1.093 57.041 55.803 0.241 0.000 1.052 328 Q CB -1.605 27.276 28.738 0.237 0.000 1.233 328 Q HN 0.741 nan 8.270 nan 0.000 0.347 329 I N 2.342 123.101 120.570 0.315 0.000 2.378 329 I HA 0.328 4.498 4.170 0.000 0.000 0.291 329 I C -1.775 174.483 176.117 0.235 0.000 0.992 329 I CA -2.238 59.227 61.300 0.274 0.000 1.154 329 I CB 1.869 39.959 38.000 0.150 0.000 1.315 329 I HN -0.010 nan 8.210 nan 0.000 0.448 330 P HA 0.109 nan 4.420 nan 0.000 0.271 330 P C -0.785 176.473 177.300 -0.071 0.000 1.218 330 P CA -0.091 63.048 63.100 0.065 0.000 0.780 330 P CB 1.481 33.084 31.700 -0.162 0.000 0.901 331 V N 2.553 122.325 119.914 -0.236 0.000 2.487 331 V HA 0.443 4.563 4.120 0.000 0.000 0.298 331 V C 0.487 176.450 176.094 -0.219 0.000 1.028 331 V CA -0.239 61.827 62.300 -0.391 0.000 0.860 331 V CB 1.734 32.896 31.823 -1.102 0.000 0.991 331 V HN 0.660 nan 8.190 nan 0.000 0.427 332 T N 3.116 117.616 114.554 -0.090 0.000 2.887 332 T HA 0.758 5.109 4.350 0.000 0.000 0.288 332 T C -0.251 174.468 174.700 0.031 0.000 1.021 332 T CA -0.085 62.017 62.100 0.004 0.000 1.000 332 T CB 1.649 70.543 68.868 0.043 0.000 1.034 332 T HN 0.968 nan 8.240 nan 0.000 0.467 333 T N 0.431 115.015 114.554 0.050 0.000 2.930 333 T HA 0.728 5.078 4.350 0.000 0.000 0.290 333 T C 0.585 175.310 174.700 0.042 0.000 1.052 333 T CA -0.532 61.583 62.100 0.025 0.000 1.017 333 T CB 1.229 70.106 68.868 0.016 0.000 1.137 333 T HN 0.794 nan 8.240 nan 0.000 0.511 334 T N -0.070 114.483 114.554 -0.002 0.000 2.771 334 T HA 0.337 4.687 4.350 0.000 0.000 0.290 334 T C 1.375 176.061 174.700 -0.023 0.000 1.005 334 T CA -0.489 61.617 62.100 0.009 0.000 0.944 334 T CB 0.292 69.137 68.868 -0.040 0.000 1.147 334 T HN 0.572 nan 8.240 nan 0.000 0.534 335 L N 0.411 121.621 121.223 -0.021 0.000 2.017 335 L HA -0.034 4.306 4.340 0.000 0.000 0.208 335 L C 2.528 179.398 176.870 0.000 0.000 1.073 335 L CA 1.704 56.547 54.840 0.005 0.000 0.745 335 L CB -1.033 41.033 42.059 0.012 0.000 0.894 335 L HN 0.573 nan 8.230 nan 0.000 0.432 336 Q N -0.317 119.445 119.800 -0.063 0.000 2.488 336 Q HA 0.055 4.395 4.340 0.000 0.000 0.211 336 Q C 1.838 177.773 176.000 -0.108 0.000 0.967 336 Q CA 0.998 56.738 55.803 -0.105 0.000 0.926 336 Q CB -0.226 28.435 28.738 -0.128 0.000 0.992 336 Q HN 0.678 nan 8.270 nan 0.000 0.506 337 G N -0.257 108.486 108.800 -0.096 0.000 2.986 337 G HA2 0.137 4.097 3.960 0.000 0.000 0.213 337 G HA3 0.137 4.097 3.960 0.000 0.000 0.213 337 G C 0.565 175.415 174.900 -0.082 0.000 1.156 337 G CA -0.362 44.680 45.100 -0.096 0.000 0.763 337 G HN 0.167 nan 8.290 nan 0.000 0.547 338 L N 0.836 121.977 121.223 -0.137 0.000 2.601 338 L HA 0.269 4.609 4.340 0.000 0.000 0.277 338 L C 1.648 178.418 176.870 -0.167 0.000 1.219 338 L CA 1.270 55.953 54.840 -0.262 0.000 0.915 338 L CB 0.415 41.973 42.059 -0.834 0.000 1.160 338 L HN 0.357 nan 8.230 nan 0.000 0.494 339 G N 1.368 110.201 108.800 0.056 0.000 2.254 339 G HA2 -0.332 3.628 3.960 0.000 0.000 0.225 339 G HA3 -0.332 3.628 3.960 0.000 0.000 0.225 339 G C 1.015 175.986 174.900 0.119 0.000 1.003 339 G CA 0.425 45.617 45.100 0.153 0.000 0.622 339 G HN 0.707 nan 8.290 nan 0.000 0.507 340 S N -1.052 114.699 115.700 0.085 0.000 2.453 340 S HA 0.431 4.901 4.470 0.000 0.000 0.231 340 S C 0.602 175.322 174.600 0.199 0.000 1.005 340 S CA 1.098 59.356 58.200 0.097 0.000 0.949 340 S CB 0.116 63.345 63.200 0.048 0.000 0.774 340 S HN 1.066 nan 8.310 nan 0.000 0.510 341 F N 2.048 122.030 119.950 0.054 0.000 2.556 341 F HA 0.456 4.983 4.527 0.000 0.000 0.314 341 F C -0.765 175.092 175.800 0.096 0.000 1.106 341 F CA -1.550 56.488 58.000 0.065 0.000 0.911 341 F CB 1.663 40.696 39.000 0.055 0.000 1.190 341 F HN -0.117 nan 8.300 nan 0.000 0.448 342 D N 4.395 124.512 120.400 -0.471 0.000 2.363 342 D HA 0.011 4.651 4.640 0.000 0.000 0.263 342 D C 0.728 176.980 176.300 -0.079 0.000 1.258 342 D CA 0.597 54.455 54.000 -0.236 0.000 0.907 342 D CB 1.064 41.679 40.800 -0.307 0.000 1.107 342 D HN 0.708 nan 8.370 nan 0.000 0.495 343 Q N 2.463 122.324 119.800 0.102 0.000 2.500 343 Q HA -0.114 4.226 4.340 0.000 0.000 0.213 343 Q C 0.873 176.927 176.000 0.090 0.000 0.974 343 Q CA 0.690 56.590 55.803 0.162 0.000 0.918 343 Q CB 0.329 29.177 28.738 0.183 0.000 0.980 343 Q HN 0.625 nan 8.270 nan 0.000 0.505 344 E N 0.534 120.747 120.200 0.022 0.000 2.474 344 E HA -0.033 4.318 4.350 0.000 0.000 0.194 344 E C 0.036 176.637 176.600 0.001 0.000 1.041 344 E CA -0.243 56.158 56.400 0.003 0.000 0.874 344 E CB 0.388 30.072 29.700 -0.027 0.000 0.914 344 E HN 0.200 nan 8.360 nan 0.000 0.498 345 D N 0.595 120.990 120.400 -0.009 0.000 2.389 345 D HA 0.002 4.642 4.640 0.000 0.000 0.247 345 D C -1.775 174.591 176.300 0.110 0.000 1.128 345 D CA -1.897 52.105 54.000 0.003 0.000 0.884 345 D CB 1.501 42.230 40.800 -0.118 0.000 1.194 345 D HN -0.142 nan 8.370 nan 0.000 0.441 346 P HA -0.110 nan 4.420 nan 0.000 0.219 346 P C 0.589 177.968 177.300 0.132 0.000 1.146 346 P CA 1.331 64.470 63.100 0.064 0.000 0.808 346 P CB 0.243 31.935 31.700 -0.014 0.000 0.779 347 K N -0.869 119.655 120.400 0.206 0.000 2.487 347 K HA 0.109 4.429 4.320 0.000 0.000 0.192 347 K C 0.751 177.533 176.600 0.303 0.000 1.027 347 K CA 0.032 56.505 56.287 0.309 0.000 1.054 347 K CB -0.031 32.650 32.500 0.302 0.000 0.824 347 K HN 0.029 nan 8.250 nan 0.000 0.510 348 S N 0.906 116.830 115.700 0.373 0.000 2.523 348 S HA 0.202 4.672 4.470 0.000 0.000 0.275 348 S C 0.831 175.532 174.600 0.168 0.000 1.281 348 S CA -0.549 57.847 58.200 0.326 0.000 1.050 348 S CB 0.530 63.997 63.200 0.446 0.000 0.937 348 S HN 0.202 nan 8.310 nan 0.000 0.492 349 L N 3.322 124.600 121.223 0.091 0.000 2.590 349 L HA 0.278 4.618 4.340 0.000 0.000 0.227 349 L C 0.350 177.267 176.870 0.078 0.000 1.099 349 L CA -0.069 54.806 54.840 0.057 0.000 0.872 349 L CB -0.472 41.588 42.059 0.002 0.000 1.088 349 L HN 0.668 nan 8.230 nan 0.000 0.479 350 D N -0.918 119.552 120.400 0.118 0.000 3.672 350 D HA -0.267 4.373 4.640 0.000 0.000 0.258 350 D C -0.034 176.322 176.300 0.093 0.000 1.876 350 D CA 1.006 55.088 54.000 0.136 0.000 1.168 350 D CB -0.325 40.558 40.800 0.139 0.000 0.839 350 D HN -0.035 nan 8.370 nan 0.000 1.037 351 M N 0.509 120.160 119.600 0.086 0.000 2.228 351 M HA 0.317 4.797 4.480 0.000 0.000 0.351 351 M C -0.472 175.836 176.300 0.013 0.000 1.233 351 M CA -0.392 54.936 55.300 0.048 0.000 1.129 351 M CB 0.447 33.073 32.600 0.043 0.000 1.604 351 M HN 0.410 nan 8.290 nan 0.000 0.457 352 L N 4.910 126.143 121.223 0.016 0.000 2.360 352 L HA 0.922 5.262 4.340 0.000 0.000 0.271 352 L C -0.067 176.781 176.870 -0.036 0.000 1.057 352 L CA 0.650 55.482 54.840 -0.013 0.000 0.803 352 L CB 1.642 43.704 42.059 0.005 0.000 1.207 352 L HN 0.860 nan 8.230 nan 0.000 0.445 353 G N 3.293 112.056 108.800 -0.062 0.000 2.381 353 G HA2 -0.099 3.861 3.960 0.000 0.000 0.672 353 G HA3 -0.099 3.861 3.960 0.000 0.000 0.672 353 G C 0.164 175.030 174.900 -0.057 0.000 1.324 353 G CA -0.217 44.838 45.100 -0.075 0.000 0.975 353 G HN 1.206 nan 8.290 nan 0.000 0.593 354 M N -0.949 118.610 119.600 -0.068 0.000 2.530 354 M HA 0.090 4.570 4.480 0.000 0.000 0.261 354 M C 1.169 177.579 176.300 0.184 0.000 1.067 354 M CA 2.221 57.522 55.300 0.002 0.000 1.071 354 M CB -0.316 32.257 32.600 -0.044 0.000 1.405 354 M HN 0.566 nan 8.290 nan 0.000 0.478 355 H N -0.223 118.790 119.070 -0.096 0.000 2.785 355 H HA 0.409 4.965 4.556 0.000 0.000 0.268 355 H C 0.932 176.147 175.328 -0.189 0.000 1.153 355 H CA -0.643 55.335 56.048 -0.118 0.000 1.111 355 H CB 0.712 30.432 29.762 -0.071 0.000 1.633 355 H HN 0.497 nan 8.280 nan 0.000 0.576 356 G N 0.075 108.836 108.800 -0.066 0.000 2.568 356 G HA2 0.226 4.186 3.960 0.000 0.000 0.293 356 G HA3 0.226 4.186 3.960 0.000 0.000 0.293 356 G C -0.295 174.468 174.900 -0.229 0.000 1.347 356 G CA -0.410 44.617 45.100 -0.123 0.000 1.039 356 G HN 0.231 nan 8.290 nan 0.000 0.523 357 C N -0.185 119.025 119.300 -0.150 0.000 2.676 357 C HA 0.410 4.870 4.460 0.000 0.000 0.416 357 C C 2.216 177.132 174.990 -0.123 0.000 1.299 357 C CA 0.407 59.356 59.018 -0.115 0.000 2.048 357 C CB 0.564 28.307 27.740 0.004 0.000 2.713 357 C HN 0.844 nan 8.230 nan 0.000 0.624 358 A N 3.007 125.766 122.820 -0.102 0.000 1.902 358 A HA -0.128 4.192 4.320 0.000 0.000 0.217 358 A C 2.121 179.496 177.584 -0.349 0.000 1.181 358 A CA 2.529 54.440 52.037 -0.211 0.000 0.623 358 A CB -1.013 17.885 19.000 -0.171 0.000 0.818 358 A HN 0.914 nan 8.150 nan 0.000 0.443 359 T N 0.519 114.935 114.554 -0.230 0.000 2.720 359 T HA -0.107 4.243 4.350 0.000 0.000 0.268 359 T C 2.196 176.782 174.700 -0.189 0.000 1.037 359 T CA 1.795 63.778 62.100 -0.195 0.000 1.144 359 T CB -0.515 68.372 68.868 0.032 0.000 0.864 359 T HN 0.623 nan 8.240 nan 0.000 0.444 360 A N 2.481 125.229 122.820 -0.120 0.000 1.877 360 A HA -0.153 4.167 4.320 0.000 0.000 0.216 360 A C 2.279 179.783 177.584 -0.133 0.000 1.186 360 A CA 1.463 53.446 52.037 -0.090 0.000 0.620 360 A CB -0.610 18.363 19.000 -0.044 0.000 0.822 360 A HN 0.414 nan 8.150 nan 0.000 0.443 361 N N 0.096 118.690 118.700 -0.176 0.000 2.223 361 N HA -0.077 4.663 4.740 0.000 0.000 0.185 361 N C 1.678 177.027 175.510 -0.269 0.000 1.016 361 N CA 1.202 54.145 53.050 -0.179 0.000 0.863 361 N CB -0.399 37.986 38.487 -0.171 0.000 0.983 361 N HN 0.510 nan 8.380 nan 0.000 0.429 362 L N 0.705 121.646 121.223 -0.469 0.000 2.044 362 L HA -0.048 4.292 4.340 0.000 0.000 0.205 362 L C 2.492 179.105 176.870 -0.429 0.000 1.075 362 L CA 0.921 55.312 54.840 -0.749 0.000 0.747 362 L CB -0.519 40.506 42.059 -1.723 0.000 0.903 362 L HN 0.083 nan 8.230 nan 0.000 0.435 363 A N -0.314 122.382 122.820 -0.208 0.000 1.940 363 A HA -0.167 4.154 4.320 0.000 0.000 0.219 363 A C 2.301 179.996 177.584 0.185 0.000 1.176 363 A CA 1.854 53.973 52.037 0.135 0.000 0.631 363 A CB -0.808 18.180 19.000 -0.020 0.000 0.814 363 A HN 0.221 nan 8.150 nan 0.000 0.446 364 V N -0.188 119.730 119.914 0.006 0.000 2.548 364 V HA -0.187 3.933 4.120 0.000 0.000 0.249 364 V C 2.526 178.535 176.094 -0.140 0.000 1.055 364 V CA 1.811 64.080 62.300 -0.051 0.000 1.065 364 V CB -0.563 31.211 31.823 -0.080 0.000 0.681 364 V HN 0.539 nan 8.190 nan 0.000 0.462 365 Q N -0.319 119.401 119.800 -0.133 0.000 2.311 365 Q HA -0.030 4.310 4.340 0.000 0.000 0.203 365 Q C 1.599 177.563 176.000 -0.060 0.000 0.954 365 Q CA 0.957 56.670 55.803 -0.150 0.000 0.885 365 Q CB -0.257 28.391 28.738 -0.149 0.000 0.963 365 Q HN 0.667 nan 8.270 nan 0.000 0.471 366 N N -0.116 118.624 118.700 0.066 0.000 2.282 366 N HA 0.140 4.880 4.740 0.000 0.000 0.185 366 N C -0.087 175.457 175.510 0.058 0.000 1.099 366 N CA 0.252 53.398 53.050 0.160 0.000 0.878 366 N CB 0.430 39.194 38.487 0.460 0.000 0.993 366 N HN 0.089 nan 8.380 nan 0.000 0.481 367 A N 0.990 123.852 122.820 0.070 0.000 2.483 367 A HA 0.052 4.372 4.320 0.000 0.000 0.238 367 A C 0.800 178.290 177.584 -0.156 0.000 1.070 367 A CA 0.095 52.080 52.037 -0.087 0.000 0.770 367 A CB 0.211 19.245 19.000 0.056 0.000 1.008 367 A HN 0.386 nan 8.150 nan 0.000 0.497 368 D N 0.158 120.426 120.400 -0.221 0.000 2.366 368 D HA 0.125 4.765 4.640 0.000 0.000 0.205 368 D C 0.037 176.275 176.300 -0.104 0.000 1.022 368 D CA 0.241 54.144 54.000 -0.162 0.000 0.868 368 D CB 0.052 40.740 40.800 -0.188 0.000 0.953 368 D HN 0.279 nan 8.370 nan 0.000 0.514 369 L N 0.529 121.702 121.223 -0.084 0.000 2.470 369 L HA 0.478 4.818 4.340 0.000 0.000 0.268 369 L C -1.791 175.097 176.870 0.031 0.000 0.964 369 L CA -0.765 54.063 54.840 -0.019 0.000 0.839 369 L CB 2.245 44.299 42.059 -0.008 0.000 1.276 369 L HN -0.125 nan 8.230 nan 0.000 0.403 370 I N 6.229 126.840 120.570 0.069 0.000 2.362 370 I HA 0.413 4.583 4.170 0.000 0.000 0.289 370 I C -0.578 175.660 176.117 0.202 0.000 0.994 370 I CA -0.437 60.944 61.300 0.135 0.000 1.158 370 I CB 1.628 39.715 38.000 0.145 0.000 1.315 370 I HN 0.510 nan 8.210 nan 0.000 0.451 371 I N 6.557 127.252 120.570 0.208 0.000 2.310 371 I HA 0.364 4.534 4.170 0.000 0.000 0.287 371 I C 0.523 176.793 176.117 0.254 0.000 1.073 371 I CA -0.343 61.107 61.300 0.251 0.000 1.216 371 I CB 1.035 39.158 38.000 0.205 0.000 1.415 371 I HN 0.556 nan 8.210 nan 0.000 0.480 372 A N 6.866 129.878 122.820 0.319 0.000 2.302 372 A HA 0.590 4.910 4.320 0.000 0.000 0.295 372 A C -0.188 177.527 177.584 0.218 0.000 1.235 372 A CA -0.273 51.868 52.037 0.173 0.000 0.876 372 A CB 0.315 19.406 19.000 0.151 0.000 1.133 372 A HN 0.484 nan 8.150 nan 0.000 0.533 373 V N 2.632 122.529 119.914 -0.029 0.000 2.349 373 V HA 0.579 4.699 4.120 0.000 0.000 0.284 373 V C 1.019 177.052 176.094 -0.101 0.000 1.014 373 V CA 0.344 62.636 62.300 -0.013 0.000 0.826 373 V CB 0.714 32.448 31.823 -0.149 0.000 1.009 373 V HN 1.783 nan 8.190 nan 0.000 0.431 374 G N 3.973 112.772 108.800 -0.001 0.000 2.295 374 G HA2 0.092 4.052 3.960 0.000 0.000 0.287 374 G HA3 0.092 4.052 3.960 0.000 0.000 0.287 374 G C 0.098 174.917 174.900 -0.135 0.000 1.055 374 G CA 0.494 45.566 45.100 -0.047 0.000 0.922 374 G HN 1.593 nan 8.290 nan 0.000 0.503 375 A N -0.551 122.168 122.820 -0.168 0.000 2.498 375 A HA 0.900 5.220 4.320 0.000 0.000 0.298 375 A C 0.675 178.202 177.584 -0.095 0.000 1.075 375 A CA -0.049 51.796 52.037 -0.321 0.000 0.714 375 A CB 0.952 19.385 19.000 -0.946 0.000 1.299 375 A HN 1.127 nan 8.150 nan 0.000 0.407 376 R N 0.411 120.893 120.500 -0.031 0.000 2.552 376 R HA 0.427 4.767 4.340 0.000 0.000 0.314 376 R C -1.148 175.312 176.300 0.268 0.000 1.041 376 R CA -0.158 56.042 56.100 0.167 0.000 1.076 376 R CB -0.559 29.803 30.300 0.104 0.000 1.290 376 R HN 0.621 nan 8.270 nan 0.000 0.563 377 F N 1.675 121.683 119.950 0.097 0.000 2.797 377 F HA -0.263 4.264 4.527 0.000 0.000 0.273 377 F C 0.136 175.874 175.800 -0.103 0.000 1.020 377 F CA 1.075 59.062 58.000 -0.021 0.000 0.961 377 F CB -1.286 37.645 39.000 -0.115 0.000 1.020 377 F HN 0.406 nan 8.300 nan 0.000 0.840 378 D N 2.160 122.572 120.400 0.021 0.000 2.382 378 D HA -0.005 4.635 4.640 0.000 0.000 0.245 378 D C 1.271 177.514 176.300 -0.095 0.000 1.120 378 D CA 0.346 54.326 54.000 -0.033 0.000 0.890 378 D CB 0.828 41.598 40.800 -0.049 0.000 1.201 378 D HN 0.525 nan 8.370 nan 0.000 0.433 379 D N 3.604 123.949 120.400 -0.092 0.000 2.354 379 D HA -0.194 4.446 4.640 0.000 0.000 0.216 379 D C 1.157 177.378 176.300 -0.131 0.000 0.970 379 D CA 0.408 54.338 54.000 -0.117 0.000 0.905 379 D CB 0.097 40.846 40.800 -0.085 0.000 0.903 379 D HN 0.269 nan 8.370 nan 0.000 0.508 380 R N 0.395 120.815 120.500 -0.133 0.000 2.193 380 R HA 0.067 4.407 4.340 0.000 0.000 0.213 380 R C 2.231 178.434 176.300 -0.163 0.000 1.055 380 R CA 0.186 56.189 56.100 -0.161 0.000 0.995 380 R CB -0.237 29.956 30.300 -0.178 0.000 0.893 380 R HN 0.248 nan 8.270 nan 0.000 0.459 381 V N 0.164 119.979 119.914 -0.165 0.000 2.492 381 V HA -0.100 4.020 4.120 0.000 0.000 0.241 381 V C 2.391 178.320 176.094 -0.275 0.000 1.041 381 V CA 1.990 64.176 62.300 -0.190 0.000 1.057 381 V CB -0.206 31.510 31.823 -0.178 0.000 0.711 381 V HN 0.392 nan 8.190 nan 0.000 0.468 382 T N -2.327 111.992 114.554 -0.393 0.000 2.978 382 T HA 0.349 4.699 4.350 0.000 0.000 0.262 382 T C 1.309 175.882 174.700 -0.211 0.000 1.063 382 T CA 1.078 62.814 62.100 -0.607 0.000 1.140 382 T CB 0.137 68.461 68.868 -0.907 0.000 0.886 382 T HN 1.067 nan 8.240 nan 0.000 0.470 383 G N 1.965 110.678 108.800 -0.146 0.000 2.553 383 G HA2 -0.270 3.690 3.960 0.000 0.000 0.242 383 G HA3 -0.270 3.690 3.960 0.000 0.000 0.242 383 G C -0.323 174.548 174.900 -0.047 0.000 1.277 383 G CA -0.233 44.828 45.100 -0.064 0.000 0.910 383 G HN 0.894 nan 8.290 nan 0.000 0.576 384 N N 0.449 119.144 118.700 -0.008 0.000 2.417 384 N HA 0.209 4.949 4.740 0.000 0.000 0.272 384 N C 1.519 177.044 175.510 0.026 0.000 1.304 384 N CA 0.584 53.634 53.050 0.001 0.000 0.906 384 N CB 0.486 38.980 38.487 0.011 0.000 1.135 384 N HN 0.795 nan 8.380 nan 0.000 0.483 385 I N 3.247 123.817 120.570 -0.000 0.000 2.264 385 I HA -0.271 3.899 4.170 0.000 0.000 0.248 385 I C 2.076 178.240 176.117 0.079 0.000 1.111 385 I CA 1.639 62.953 61.300 0.024 0.000 1.382 385 I CB -0.660 37.323 38.000 -0.028 0.000 1.060 385 I HN 0.790 nan 8.210 nan 0.000 0.418 386 S N -0.728 114.996 115.700 0.040 0.000 2.500 386 S HA -0.123 4.347 4.470 0.000 0.000 0.239 386 S C 1.657 176.281 174.600 0.040 0.000 0.989 386 S CA 0.833 59.052 58.200 0.032 0.000 0.951 386 S CB -0.463 62.745 63.200 0.012 0.000 0.759 386 S HN 0.542 nan 8.310 nan 0.000 0.523 387 K N -0.061 120.377 120.400 0.062 0.000 2.438 387 K HA 0.298 4.618 4.320 0.000 0.000 0.205 387 K C -0.584 176.063 176.600 0.080 0.000 1.033 387 K CA -0.452 55.864 56.287 0.047 0.000 1.089 387 K CB 0.358 32.876 32.500 0.030 0.000 0.857 387 K HN 0.410 nan 8.250 nan 0.000 0.522 388 F N 2.353 122.278 119.950 -0.042 0.000 2.410 388 F HA 0.332 4.859 4.527 0.000 0.000 0.348 388 F C 0.530 176.305 175.800 -0.041 0.000 1.106 388 F CA -0.678 57.294 58.000 -0.047 0.000 1.163 388 F CB 0.647 39.621 39.000 -0.042 0.000 1.129 388 F HN 0.237 nan 8.300 nan 0.000 0.516 389 A N 6.336 128.645 122.820 -0.852 0.000 2.362 389 A HA -0.179 4.141 4.320 0.000 0.000 0.290 389 A C -1.818 175.574 177.584 -0.319 0.000 1.441 389 A CA 0.518 52.132 52.037 -0.705 0.000 0.743 389 A CB -2.020 16.370 19.000 -1.016 0.000 1.125 389 A HN 0.686 nan 8.150 nan 0.000 0.378 390 P HA -0.165 nan 4.420 nan 0.000 0.217 390 P C 1.172 178.412 177.300 -0.100 0.000 1.150 390 P CA 1.385 64.417 63.100 -0.112 0.000 0.832 390 P CB 0.185 31.839 31.700 -0.076 0.000 0.787 391 E N -0.178 119.959 120.200 -0.106 0.000 2.208 391 E HA -0.023 4.327 4.350 0.000 0.000 0.193 391 E C 2.111 178.650 176.600 -0.102 0.000 0.988 391 E CA 0.928 57.274 56.400 -0.089 0.000 0.828 391 E CB -0.549 29.104 29.700 -0.078 0.000 0.763 391 E HN 0.224 nan 8.360 nan 0.000 0.478 392 A N 1.051 123.795 122.820 -0.127 0.000 1.929 392 A HA -0.101 4.219 4.320 0.000 0.000 0.216 392 A C 2.145 179.678 177.584 -0.085 0.000 1.176 392 A CA 0.779 52.750 52.037 -0.110 0.000 0.628 392 A CB -0.212 18.707 19.000 -0.135 0.000 0.816 392 A HN 0.075 nan 8.150 nan 0.000 0.444 393 R N -0.878 119.568 120.500 -0.091 0.000 2.075 393 R HA -0.040 4.300 4.340 0.000 0.000 0.232 393 R C 2.486 178.755 176.300 -0.052 0.000 1.126 393 R CA 1.155 57.217 56.100 -0.064 0.000 0.963 393 R CB -0.318 29.946 30.300 -0.060 0.000 0.858 393 R HN 0.379 nan 8.270 nan 0.000 0.435 394 R N 0.661 121.128 120.500 -0.056 0.000 2.083 394 R HA -0.129 4.211 4.340 0.000 0.000 0.237 394 R C 2.217 178.489 176.300 -0.047 0.000 1.137 394 R CA 1.696 57.768 56.100 -0.047 0.000 0.951 394 R CB -0.375 29.896 30.300 -0.048 0.000 0.851 394 R HN 0.225 nan 8.270 nan 0.000 0.434 395 A N 0.683 123.469 122.820 -0.056 0.000 1.883 395 A HA -0.172 4.148 4.320 0.000 0.000 0.217 395 A C 2.357 179.916 177.584 -0.042 0.000 1.186 395 A CA 2.007 54.011 52.037 -0.054 0.000 0.624 395 A CB -0.715 18.245 19.000 -0.066 0.000 0.822 395 A HN 0.495 nan 8.150 nan 0.000 0.444 396 A N -0.125 122.672 122.820 -0.039 0.000 1.865 396 A HA 0.108 4.428 4.320 0.000 0.000 0.217 396 A C 2.558 180.126 177.584 -0.026 0.000 1.191 396 A CA 2.413 54.433 52.037 -0.029 0.000 0.623 396 A CB -1.218 17.766 19.000 -0.027 0.000 0.826 396 A HN 1.205 nan 8.150 nan 0.000 0.444 397 A N -0.036 122.767 122.820 -0.028 0.000 1.917 397 A HA -0.213 4.107 4.320 0.000 0.000 0.219 397 A C 1.755 179.325 177.584 -0.023 0.000 1.182 397 A CA 1.762 53.785 52.037 -0.024 0.000 0.633 397 A CB -0.554 18.431 19.000 -0.025 0.000 0.819 397 A HN 0.682 nan 8.150 nan 0.000 0.448 398 E N -1.314 118.869 120.200 -0.027 0.000 2.476 398 E HA 0.319 4.669 4.350 0.000 0.000 0.191 398 E C 0.902 177.486 176.600 -0.026 0.000 1.064 398 E CA 0.163 56.548 56.400 -0.026 0.000 0.866 398 E CB -0.144 29.537 29.700 -0.030 0.000 0.952 398 E HN 0.734 nan 8.360 nan 0.000 0.492 399 G N 3.012 111.797 108.800 -0.024 0.000 2.221 399 G HA2 -0.344 3.616 3.960 0.000 0.000 0.265 399 G HA3 -0.344 3.616 3.960 0.000 0.000 0.265 399 G C 0.584 175.468 174.900 -0.025 0.000 1.041 399 G CA 0.704 45.791 45.100 -0.022 0.000 0.807 399 G HN 0.455 nan 8.290 nan 0.000 0.502 400 R N -1.304 119.177 120.500 -0.031 0.000 2.592 400 R HA 0.569 4.909 4.340 0.000 0.000 0.439 400 R C 0.727 177.003 176.300 -0.040 0.000 0.995 400 R CA 0.365 56.443 56.100 -0.036 0.000 1.141 400 R CB 0.477 30.752 30.300 -0.043 0.000 1.495 400 R HN 1.330 nan 8.270 nan 0.000 0.579 401 G N -0.908 107.872 108.800 -0.034 0.000 2.392 401 G HA2 0.462 4.422 3.960 0.000 0.000 0.260 401 G HA3 0.462 4.422 3.960 0.000 0.000 0.260 401 G C -0.333 174.553 174.900 -0.023 0.000 1.226 401 G CA -0.018 45.062 45.100 -0.033 0.000 0.913 401 G HN 0.589 nan 8.290 nan 0.000 0.483 402 G N -1.129 107.657 108.800 -0.024 0.000 2.250 402 G HA2 0.312 4.272 3.960 0.000 0.000 0.189 402 G HA3 0.312 4.272 3.960 0.000 0.000 0.189 402 G C -1.181 173.727 174.900 0.015 0.000 1.298 402 G CA -0.125 44.966 45.100 -0.015 0.000 1.246 402 G HN 1.304 nan 8.290 nan 0.000 0.513 403 I N 1.238 121.829 120.570 0.035 0.000 2.466 403 I HA 0.529 4.699 4.170 0.000 0.000 0.289 403 I C -0.300 175.882 176.117 0.109 0.000 1.026 403 I CA -0.668 60.688 61.300 0.095 0.000 1.078 403 I CB 1.829 39.882 38.000 0.089 0.000 1.249 403 I HN 0.364 nan 8.210 nan 0.000 0.429 404 I N 5.251 125.917 120.570 0.159 0.000 2.377 404 I HA 0.339 4.509 4.170 0.000 0.000 0.293 404 I C -0.361 175.915 176.117 0.264 0.000 0.987 404 I CA -0.465 60.915 61.300 0.133 0.000 1.185 404 I CB 1.477 39.552 38.000 0.125 0.000 1.341 404 I HN 0.584 nan 8.210 nan 0.000 0.455 405 H N 6.220 125.320 119.070 0.050 0.000 2.727 405 H HA 0.391 4.947 4.556 0.000 0.000 0.330 405 H C -1.443 173.886 175.328 0.002 0.000 0.986 405 H CA -0.794 55.344 56.048 0.151 0.000 1.251 405 H CB 1.126 31.007 29.762 0.198 0.000 1.493 405 H HN 0.396 nan 8.280 nan 0.000 0.515 406 F N 3.858 123.925 119.950 0.194 0.000 2.368 406 F HA 0.159 4.686 4.527 0.000 0.000 0.362 406 F C 0.264 176.008 175.800 -0.093 0.000 1.137 406 F CA -0.398 57.614 58.000 0.019 0.000 1.161 406 F CB 0.883 39.899 39.000 0.027 0.000 1.265 406 F HN 0.565 nan 8.300 nan 0.000 0.530 407 E N 2.062 122.187 120.200 -0.125 0.000 2.266 407 E HA 0.388 4.739 4.350 0.000 0.000 0.268 407 E C -0.407 176.144 176.600 -0.081 0.000 0.879 407 E CA -0.568 55.709 56.400 -0.206 0.000 0.762 407 E CB 2.086 31.466 29.700 -0.533 0.000 1.199 407 E HN 0.262 nan 8.360 nan 0.000 0.422 408 V N 2.393 122.282 119.914 -0.042 0.000 3.174 408 V HA 0.225 4.345 4.120 0.000 0.000 0.254 408 V C -0.071 176.012 176.094 -0.019 0.000 1.120 408 V CA 0.952 63.244 62.300 -0.013 0.000 1.114 408 V CB 0.276 32.102 31.823 0.005 0.000 0.756 408 V HN 0.586 nan 8.190 nan 0.000 0.467 409 S N 1.340 117.020 115.700 -0.033 0.000 2.438 409 S HA 0.405 4.875 4.470 0.000 0.000 0.316 409 S C -1.814 172.772 174.600 -0.023 0.000 1.084 409 S CA -0.731 57.456 58.200 -0.022 0.000 1.107 409 S CB 1.623 64.810 63.200 -0.021 0.000 0.981 409 S HN 0.259 nan 8.310 nan 0.000 0.466 410 P HA -0.161 nan 4.420 nan 0.000 0.217 410 P C 1.704 179.006 177.300 0.003 0.000 1.148 410 P CA 1.369 64.468 63.100 -0.001 0.000 0.828 410 P CB 0.132 31.837 31.700 0.008 0.000 0.783 411 K N -0.251 120.152 120.400 0.006 0.000 2.147 411 K HA -0.130 4.190 4.320 0.000 0.000 0.205 411 K C 1.649 178.261 176.600 0.020 0.000 1.049 411 K CA 1.673 57.967 56.287 0.013 0.000 0.936 411 K CB -1.610 30.899 32.500 0.015 0.000 0.722 411 K HN 0.225 nan 8.250 nan 0.000 0.446 412 N N -0.081 118.631 118.700 0.021 0.000 2.336 412 N HA 0.165 4.905 4.740 0.000 0.000 0.189 412 N C -0.235 175.328 175.510 0.089 0.000 1.113 412 N CA 0.015 53.100 53.050 0.058 0.000 0.858 412 N CB 0.211 38.740 38.487 0.069 0.000 0.970 412 N HN 0.476 nan 8.380 nan 0.000 0.471 413 I N 1.765 122.357 120.570 0.038 0.000 2.396 413 I HA 0.026 4.196 4.170 0.000 0.000 0.289 413 I C 0.230 176.387 176.117 0.066 0.000 1.056 413 I CA -0.112 61.220 61.300 0.053 0.000 1.365 413 I CB 0.309 38.312 38.000 0.004 0.000 1.407 413 I HN 0.053 nan 8.210 nan 0.000 0.509 414 N N 4.066 122.818 118.700 0.087 0.000 2.800 414 N HA -0.218 4.522 4.740 0.000 0.000 0.250 414 N C 1.137 176.646 175.510 -0.001 0.000 1.078 414 N CA 1.073 54.134 53.050 0.018 0.000 0.804 414 N CB -0.781 37.715 38.487 0.015 0.000 1.135 414 N HN 0.667 nan 8.380 nan 0.000 0.565 415 K N 0.783 121.195 120.400 0.020 0.000 2.007 415 K HA 0.034 4.354 4.320 0.000 0.000 0.206 415 K C 1.744 178.333 176.600 -0.018 0.000 1.047 415 K CA 1.695 57.989 56.287 0.011 0.000 0.937 415 K CB 0.230 32.752 32.500 0.037 0.000 0.718 415 K HN 0.078 nan 8.250 nan 0.000 0.438 416 V N 0.568 120.455 119.914 -0.045 0.000 2.436 416 V HA 0.006 4.126 4.120 0.000 0.000 0.240 416 V C 0.690 176.695 176.094 -0.149 0.000 1.040 416 V CA 0.712 62.961 62.300 -0.084 0.000 1.052 416 V CB 0.997 32.778 31.823 -0.070 0.000 0.707 416 V HN 0.282 nan 8.190 nan 0.000 0.469 417 V N -0.962 118.787 119.914 -0.274 0.000 2.680 417 V HA 0.686 4.806 4.120 0.000 0.000 0.309 417 V C -0.574 175.398 176.094 -0.204 0.000 1.052 417 V CA -1.025 61.111 62.300 -0.274 0.000 0.908 417 V CB 1.694 33.242 31.823 -0.459 0.000 1.001 417 V HN 0.284 nan 8.190 nan 0.000 0.431 418 Q N 3.258 122.989 119.800 -0.115 0.000 2.297 418 Q HA 0.480 4.820 4.340 0.000 0.000 0.267 418 Q C 0.197 176.156 176.000 -0.068 0.000 1.006 418 Q CA 0.667 56.430 55.803 -0.068 0.000 0.896 418 Q CB 0.773 29.486 28.738 -0.041 0.000 1.186 418 Q HN 1.212 nan 8.270 nan 0.000 0.392 419 T N 1.233 115.767 114.554 -0.034 0.000 2.888 419 T HA 0.329 4.679 4.350 0.000 0.000 0.284 419 T C 0.493 175.199 174.700 0.010 0.000 1.017 419 T CA -0.822 61.275 62.100 -0.006 0.000 1.022 419 T CB 1.438 70.336 68.868 0.051 0.000 1.013 419 T HN 0.471 nan 8.240 nan 0.000 0.465 420 Q N 1.265 121.071 119.800 0.010 0.000 2.123 420 Q HA 0.368 4.708 4.340 0.000 0.000 0.199 420 Q C 0.173 176.173 176.000 0.000 0.000 0.966 420 Q CA 1.302 57.108 55.803 0.005 0.000 0.845 420 Q CB -0.148 28.591 28.738 0.001 0.000 0.907 420 Q HN 0.771 nan 8.270 nan 0.000 0.439 421 I N -0.604 119.962 120.570 -0.006 0.000 2.656 421 I HA 0.572 4.742 4.170 0.000 0.000 0.292 421 I C -1.447 174.630 176.117 -0.067 0.000 1.144 421 I CA -1.178 60.090 61.300 -0.053 0.000 1.038 421 I CB 2.347 40.290 38.000 -0.095 0.000 1.244 421 I HN -0.165 nan 8.210 nan 0.000 0.420 422 A N 5.787 128.545 122.820 -0.102 0.000 2.335 422 A HA 0.737 5.057 4.320 0.000 0.000 0.304 422 A C -0.935 176.504 177.584 -0.241 0.000 1.118 422 A CA -0.491 51.475 52.037 -0.119 0.000 0.757 422 A CB 1.311 20.298 19.000 -0.022 0.000 1.188 422 A HN 0.396 nan 8.150 nan 0.000 0.460 423 V N 3.245 122.932 119.914 -0.378 0.000 2.304 423 V HA 0.204 4.324 4.120 0.000 0.000 0.269 423 V C 0.452 176.429 176.094 -0.194 0.000 1.036 423 V CA -0.341 61.725 62.300 -0.390 0.000 0.840 423 V CB 0.557 31.933 31.823 -0.744 0.000 1.036 423 V HN 0.971 nan 8.190 nan 0.000 0.466 424 E N 3.248 123.383 120.200 -0.108 0.000 2.360 424 E HA 0.521 4.871 4.350 0.000 0.000 0.269 424 E C 0.673 177.272 176.600 -0.001 0.000 1.022 424 E CA 1.001 57.380 56.400 -0.035 0.000 0.887 424 E CB 0.895 30.607 29.700 0.020 0.000 0.990 424 E HN 0.982 nan 8.360 nan 0.000 0.426 425 G N 3.708 112.516 108.800 0.013 0.000 2.362 425 G HA2 -0.208 3.752 3.960 0.000 0.000 0.517 425 G HA3 -0.208 3.752 3.960 0.000 0.000 0.517 425 G C -1.086 173.848 174.900 0.058 0.000 1.256 425 G CA -0.514 44.608 45.100 0.036 0.000 1.027 425 G HN 0.676 nan 8.290 nan 0.000 0.491 426 D N 0.706 121.146 120.400 0.067 0.000 2.401 426 D HA 0.576 5.216 4.640 0.000 0.000 0.254 426 D C 1.477 177.825 176.300 0.079 0.000 1.192 426 D CA 1.202 55.248 54.000 0.076 0.000 0.885 426 D CB 1.144 42.002 40.800 0.097 0.000 1.147 426 D HN 1.026 nan 8.370 nan 0.000 0.478 427 A N 3.243 126.105 122.820 0.069 0.000 1.883 427 A HA -0.197 4.123 4.320 0.000 0.000 0.217 427 A C 2.142 179.682 177.584 -0.074 0.000 1.186 427 A CA 1.968 54.027 52.037 0.036 0.000 0.624 427 A CB -0.852 18.141 19.000 -0.013 0.000 0.822 427 A HN 0.683 nan 8.150 nan 0.000 0.444 428 T N -0.216 114.279 114.554 -0.099 0.000 2.674 428 T HA -0.140 4.210 4.350 0.000 0.000 0.265 428 T C 2.045 176.615 174.700 -0.217 0.000 1.039 428 T CA 2.000 63.963 62.100 -0.229 0.000 1.150 428 T CB -0.705 67.889 68.868 -0.456 0.000 0.864 428 T HN 0.564 nan 8.240 nan 0.000 0.427 429 T N 2.746 117.214 114.554 -0.144 0.000 2.635 429 T HA -0.144 4.206 4.350 0.000 0.000 0.267 429 T C 2.030 176.724 174.700 -0.011 0.000 1.040 429 T CA 1.284 63.348 62.100 -0.060 0.000 1.156 429 T CB -0.462 68.421 68.868 0.026 0.000 0.863 429 T HN 0.316 nan 8.240 nan 0.000 0.430 430 N N 1.166 119.893 118.700 0.046 0.000 2.223 430 N HA 0.043 4.783 4.740 0.000 0.000 0.185 430 N C 1.862 177.433 175.510 0.102 0.000 1.016 430 N CA 0.674 53.801 53.050 0.128 0.000 0.863 430 N CB -0.468 38.186 38.487 0.279 0.000 0.983 430 N HN 0.360 nan 8.380 nan 0.000 0.429 431 L N 0.168 121.359 121.223 -0.053 0.000 2.141 431 L HA -0.041 4.299 4.340 0.000 0.000 0.209 431 L C 2.358 179.194 176.870 -0.057 0.000 1.094 431 L CA 1.016 55.773 54.840 -0.137 0.000 0.763 431 L CB -0.716 41.190 42.059 -0.254 0.000 0.908 431 L HN 0.196 nan 8.230 nan 0.000 0.437 432 G N 0.187 108.954 108.800 -0.055 0.000 2.404 432 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 432 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 432 G C 1.649 176.548 174.900 -0.002 0.000 1.174 432 G CA 0.359 45.438 45.100 -0.036 0.000 0.780 432 G HN 0.292 nan 8.290 nan 0.000 0.537 433 K N -0.475 119.935 120.400 0.016 0.000 2.283 433 K HA 0.131 4.451 4.320 0.000 0.000 0.202 433 K C 2.275 178.900 176.600 0.041 0.000 1.048 433 K CA 0.797 57.102 56.287 0.029 0.000 0.948 433 K CB -0.111 32.411 32.500 0.037 0.000 0.742 433 K HN 0.363 nan 8.250 nan 0.000 0.458 434 M N 0.036 119.669 119.600 0.056 0.000 2.501 434 M HA -0.003 4.477 4.480 0.000 0.000 0.261 434 M C 1.579 177.910 176.300 0.052 0.000 1.129 434 M CA 0.544 55.887 55.300 0.072 0.000 1.126 434 M CB 0.236 32.916 32.600 0.134 0.000 1.359 434 M HN 0.052 nan 8.290 nan 0.000 0.471 435 M N 0.856 120.474 119.600 0.029 0.000 2.088 435 M HA -0.201 4.279 4.480 0.000 0.000 0.256 435 M C 2.343 178.660 176.300 0.028 0.000 1.071 435 M CA 2.332 57.644 55.300 0.021 0.000 1.097 435 M CB -1.562 31.041 32.600 0.005 0.000 1.315 435 M HN 0.504 nan 8.290 nan 0.000 0.406 436 S N -0.585 115.131 115.700 0.027 0.000 2.500 436 S HA -0.114 4.356 4.470 0.000 0.000 0.239 436 S C 1.542 176.168 174.600 0.044 0.000 0.989 436 S CA 0.940 59.157 58.200 0.029 0.000 0.951 436 S CB -0.416 62.799 63.200 0.025 0.000 0.759 436 S HN 0.515 nan 8.310 nan 0.000 0.523 437 K N 0.257 120.688 120.400 0.052 0.000 2.374 437 K HA 0.306 4.626 4.320 0.000 0.000 0.196 437 K C -0.301 176.353 176.600 0.089 0.000 1.023 437 K CA -0.087 56.239 56.287 0.065 0.000 1.103 437 K CB 0.234 32.767 32.500 0.057 0.000 0.848 437 K HN 0.335 nan 8.250 nan 0.000 0.528 438 I N 1.849 122.470 120.570 0.084 0.000 2.371 438 I HA 0.078 4.248 4.170 0.000 0.000 0.290 438 I C -0.018 176.175 176.117 0.126 0.000 1.028 438 I CA -0.940 60.423 61.300 0.105 0.000 1.345 438 I CB -0.077 37.968 38.000 0.074 0.000 1.407 438 I HN -0.029 nan 8.210 nan 0.000 0.501 439 F N 9.498 129.467 119.950 0.031 0.000 2.504 439 F HA 0.328 4.855 4.527 0.000 0.000 0.369 439 F C -1.970 173.850 175.800 0.034 0.000 1.082 439 F CA -2.060 55.957 58.000 0.028 0.000 1.216 439 F CB 0.413 39.428 39.000 0.025 0.000 1.108 439 F HN 0.303 nan 8.300 nan 0.000 0.554 440 P HA 0.110 nan 4.420 nan 0.000 0.271 440 P C -1.174 175.728 177.300 -0.663 0.000 1.226 440 P CA 0.009 62.773 63.100 -0.560 0.000 0.765 440 P CB 0.867 32.296 31.700 -0.451 0.000 0.835 441 V N 5.150 124.930 119.914 -0.223 0.000 2.357 441 V HA 0.173 4.293 4.120 0.000 0.000 0.284 441 V C 1.629 177.713 176.094 -0.018 0.000 1.018 441 V CA -0.306 61.968 62.300 -0.042 0.000 0.841 441 V CB 1.392 33.276 31.823 0.102 0.000 0.991 441 V HN 0.577 nan 8.190 nan 0.000 0.437 442 K N 3.220 123.618 120.400 -0.004 0.000 2.097 442 K HA -0.094 4.226 4.320 0.000 0.000 0.206 442 K C 0.391 177.006 176.600 0.026 0.000 1.049 442 K CA 1.723 58.011 56.287 0.001 0.000 0.933 442 K CB 0.450 32.958 32.500 0.013 0.000 0.717 442 K HN 0.919 nan 8.250 nan 0.000 0.442 443 E N -1.826 118.418 120.200 0.073 0.000 2.409 443 E HA 0.277 4.627 4.350 0.000 0.000 0.280 443 E C -1.139 175.576 176.600 0.192 0.000 1.079 443 E CA -0.898 55.563 56.400 0.103 0.000 0.840 443 E CB 0.854 30.594 29.700 0.067 0.000 1.309 443 E HN 0.032 nan 8.360 nan 0.000 0.447 444 R N 0.922 121.607 120.500 0.308 0.000 2.638 444 R HA 0.313 4.653 4.340 0.000 0.000 0.269 444 R C -0.024 176.543 176.300 0.444 0.000 1.393 444 R CA -0.097 56.241 56.100 0.397 0.000 1.531 444 R CB 0.666 31.296 30.300 0.550 0.000 1.327 444 R HN 0.574 nan 8.270 nan 0.000 0.709 445 S N 1.250 117.107 115.700 0.262 0.000 2.372 445 S HA -0.247 4.223 4.470 0.000 0.000 0.227 445 S C 1.539 176.251 174.600 0.186 0.000 1.044 445 S CA 1.621 59.939 58.200 0.197 0.000 1.050 445 S CB 0.075 63.341 63.200 0.110 0.000 0.901 445 S HN 0.502 nan 8.310 nan 0.000 0.447 446 E N -0.103 120.192 120.200 0.158 0.000 2.031 446 E HA -0.172 4.178 4.350 0.000 0.000 0.193 446 E C 1.871 178.570 176.600 0.164 0.000 0.994 446 E CA 1.043 57.515 56.400 0.119 0.000 0.800 446 E CB -0.261 29.492 29.700 0.088 0.000 0.752 446 E HN 0.688 nan 8.360 nan 0.000 0.447 447 W N 0.452 121.709 121.300 -0.071 0.000 2.335 447 W HA -0.252 4.408 4.660 0.000 0.000 0.311 447 W C 1.653 178.003 176.519 -0.282 0.000 1.213 447 W CA 0.932 58.153 57.345 -0.207 0.000 1.274 447 W CB -0.176 29.123 29.460 -0.268 0.000 1.148 447 W HN 0.047 nan 8.180 nan 0.000 0.498 448 F N 0.551 120.506 119.950 0.009 0.000 2.407 448 F HA -0.073 4.454 4.527 0.000 0.000 0.299 448 F C 2.572 178.281 175.800 -0.151 0.000 1.097 448 F CA 1.379 59.286 58.000 -0.154 0.000 1.422 448 F CB -0.996 37.968 39.000 -0.061 0.000 1.067 448 F HN -0.102 nan 8.300 nan 0.000 0.539 449 A N -0.349 122.497 122.820 0.042 0.000 1.873 449 A HA -0.240 4.080 4.320 0.000 0.000 0.215 449 A C 2.080 179.558 177.584 -0.176 0.000 1.186 449 A CA 1.681 53.700 52.037 -0.030 0.000 0.616 449 A CB -0.742 18.254 19.000 -0.007 0.000 0.823 449 A HN 0.335 nan 8.150 nan 0.000 0.442 450 Q N 0.228 119.857 119.800 -0.285 0.000 2.084 450 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 450 Q C 1.722 177.190 176.000 -0.886 0.000 0.978 450 Q CA 1.882 57.313 55.803 -0.620 0.000 0.844 450 Q CB -0.487 27.889 28.738 -0.603 0.000 0.898 450 Q HN 0.687 nan 8.270 nan 0.000 0.426 451 I N 0.409 120.595 120.570 -0.639 0.000 2.113 451 I HA -0.281 3.889 4.170 0.000 0.000 0.238 451 I C 1.791 177.845 176.117 -0.105 0.000 1.070 451 I CA 1.228 62.310 61.300 -0.363 0.000 1.332 451 I CB -0.434 37.279 38.000 -0.477 0.000 1.044 451 I HN 0.267 nan 8.210 nan 0.000 0.402 452 N N 0.893 119.547 118.700 -0.077 0.000 2.364 452 N HA -0.215 4.525 4.740 0.000 0.000 0.183 452 N C 1.721 177.237 175.510 0.010 0.000 1.022 452 N CA 1.076 54.132 53.050 0.009 0.000 0.883 452 N CB -0.218 38.285 38.487 0.026 0.000 0.965 452 N HN 0.413 nan 8.380 nan 0.000 0.438 453 K N -0.182 120.171 120.400 -0.077 0.000 2.062 453 K HA -0.078 4.242 4.320 0.000 0.000 0.205 453 K C 1.723 178.387 176.600 0.107 0.000 1.051 453 K CA 0.751 57.007 56.287 -0.051 0.000 0.941 453 K CB -0.002 32.386 32.500 -0.188 0.000 0.719 453 K HN 0.079 nan 8.250 nan 0.000 0.440 454 W N 1.802 123.126 121.300 0.041 0.000 2.388 454 W HA -0.037 4.623 4.660 0.000 0.000 0.294 454 W C 1.762 178.358 176.519 0.128 0.000 1.212 454 W CA 0.709 58.099 57.345 0.075 0.000 1.271 454 W CB -0.501 28.902 29.460 -0.095 0.000 1.126 454 W HN 0.134 nan 8.180 nan 0.000 0.535 455 K N 0.738 121.314 120.400 0.293 0.000 2.044 455 K HA -0.206 4.114 4.320 0.000 0.000 0.210 455 K C 1.806 178.522 176.600 0.195 0.000 1.049 455 K CA 2.247 58.659 56.287 0.208 0.000 0.927 455 K CB -0.410 32.173 32.500 0.140 0.000 0.713 455 K HN 0.183 nan 8.250 nan 0.000 0.443 456 K N 0.238 120.735 120.400 0.161 0.000 2.444 456 K HA -0.005 4.315 4.320 0.000 0.000 0.193 456 K C 1.445 178.124 176.600 0.132 0.000 1.024 456 K CA 0.711 57.070 56.287 0.119 0.000 1.077 456 K CB 0.482 33.027 32.500 0.075 0.000 0.833 456 K HN 0.142 nan 8.250 nan 0.000 0.517 457 E N 0.132 120.469 120.200 0.229 0.000 2.389 457 E HA 0.012 4.362 4.350 0.000 0.000 0.199 457 E C -0.337 176.330 176.600 0.112 0.000 0.978 457 E CA 0.153 56.679 56.400 0.210 0.000 0.912 457 E CB 0.451 30.383 29.700 0.387 0.000 0.907 457 E HN 0.366 nan 8.360 nan 0.000 0.494 458 Y N 0.154 120.523 120.300 0.117 0.000 2.577 458 Y HA 0.328 4.878 4.550 0.000 0.000 0.307 458 Y C -2.421 173.550 175.900 0.118 0.000 0.940 458 Y CA -2.620 55.540 58.100 0.100 0.000 1.132 458 Y CB 0.720 39.225 38.460 0.076 0.000 1.184 458 Y HN -0.009 nan 8.280 nan 0.000 0.611 459 P HA -0.147 nan 4.420 nan 0.000 0.257 459 P C -0.303 177.100 177.300 0.172 0.000 1.227 459 P CA 0.293 63.486 63.100 0.156 0.000 0.981 459 P CB -0.471 31.273 31.700 0.074 0.000 1.044 460 Y N 4.433 124.805 120.300 0.121 0.000 2.828 460 Y HA 0.229 4.779 4.550 0.000 0.000 0.359 460 Y C -0.062 175.926 175.900 0.147 0.000 1.258 460 Y CA -0.533 57.645 58.100 0.130 0.000 1.652 460 Y CB -0.539 37.999 38.460 0.131 0.000 1.232 460 Y HN 0.399 nan 8.280 nan 0.000 0.513 461 A N 7.478 130.111 122.820 -0.312 0.000 2.422 461 A HA 0.533 4.853 4.320 0.000 0.000 0.302 461 A C -1.047 176.318 177.584 -0.366 0.000 1.041 461 A CA -0.854 50.959 52.037 -0.375 0.000 0.708 461 A CB 0.335 19.161 19.000 -0.290 0.000 1.257 461 A HN 0.841 nan 8.150 nan 0.000 0.414 462 Y N 0.631 120.732 120.300 -0.332 0.000 2.262 462 Y HA 0.568 5.118 4.550 0.000 0.000 0.402 462 Y C 0.694 176.503 175.900 -0.151 0.000 1.320 462 Y CA -0.786 57.188 58.100 -0.210 0.000 1.895 462 Y CB 0.380 38.679 38.460 -0.267 0.000 1.662 462 Y HN 0.513 nan 8.280 nan 0.000 0.671 463 M N 2.385 121.997 119.600 0.020 0.000 2.111 463 M HA 0.179 4.659 4.480 0.000 0.000 0.351 463 M C -0.702 175.560 176.300 -0.064 0.000 1.214 463 M CA -0.403 54.858 55.300 -0.065 0.000 1.120 463 M CB 0.202 32.813 32.600 0.018 0.000 1.443 463 M HN 0.644 nan 8.290 nan 0.000 0.429 464 E N 2.936 122.967 120.200 -0.282 0.000 2.552 464 E HA -0.099 4.251 4.350 0.000 0.000 0.269 464 E C -0.634 175.944 176.600 -0.038 0.000 1.287 464 E CA 0.679 56.959 56.400 -0.201 0.000 1.120 464 E CB 0.186 29.749 29.700 -0.228 0.000 1.010 464 E HN 0.631 nan 8.360 nan 0.000 0.489 465 E N -0.032 120.155 120.200 -0.022 0.000 2.166 465 E HA 0.212 4.562 4.350 0.000 0.000 0.275 465 E C -0.446 176.135 176.600 -0.032 0.000 0.941 465 E CA -0.399 55.990 56.400 -0.018 0.000 0.784 465 E CB 1.611 31.303 29.700 -0.014 0.000 1.115 465 E HN 0.261 nan 8.360 nan 0.000 0.399 466 T N 3.434 117.971 114.554 -0.028 0.000 2.832 466 T HA 0.211 4.561 4.350 0.000 0.000 0.296 466 T C -2.357 172.328 174.700 -0.025 0.000 0.968 466 T CA -1.928 60.155 62.100 -0.027 0.000 1.107 466 T CB 0.396 69.251 68.868 -0.022 0.000 0.916 466 T HN 0.106 nan 8.240 nan 0.000 0.517 467 P HA 0.140 nan 4.420 nan 0.000 0.261 467 P C 0.573 177.861 177.300 -0.020 0.000 1.165 467 P CA 1.059 64.145 63.100 -0.023 0.000 0.759 467 P CB 0.086 31.773 31.700 -0.023 0.000 0.772 468 G N 1.409 110.197 108.800 -0.020 0.000 2.370 468 G HA2 -0.064 3.896 3.960 0.000 0.000 0.295 468 G HA3 -0.064 3.896 3.960 0.000 0.000 0.295 468 G C 0.045 174.934 174.900 -0.017 0.000 1.045 468 G CA 0.287 45.376 45.100 -0.018 0.000 1.199 468 G HN 0.775 nan 8.290 nan 0.000 0.513 469 S N -0.805 114.883 115.700 -0.020 0.000 2.656 469 S HA 0.677 5.147 4.470 0.000 0.000 0.273 469 S C -0.146 174.440 174.600 -0.023 0.000 1.168 469 S CA -0.817 57.372 58.200 -0.019 0.000 0.817 469 S CB 1.038 64.228 63.200 -0.018 0.000 1.146 469 S HN 0.382 nan 8.310 nan 0.000 0.475 470 K N 2.018 122.405 120.400 -0.022 0.000 2.511 470 K HA 0.188 4.508 4.320 0.000 0.000 0.280 470 K C -0.148 176.428 176.600 -0.041 0.000 1.008 470 K CA 0.348 56.619 56.287 -0.028 0.000 1.050 470 K CB -0.312 32.175 32.500 -0.021 0.000 0.889 470 K HN 0.575 nan 8.250 nan 0.000 0.484 471 I N 2.802 123.341 120.570 -0.051 0.000 2.618 471 I HA -0.061 4.109 4.170 0.000 0.000 0.284 471 I C 1.136 177.188 176.117 -0.108 0.000 1.146 471 I CA 0.242 61.498 61.300 -0.073 0.000 1.425 471 I CB 0.308 38.263 38.000 -0.074 0.000 1.383 471 I HN 0.423 nan 8.210 nan 0.000 0.562 472 K N 9.160 129.475 120.400 -0.142 0.000 2.234 472 K HA 0.309 4.629 4.320 0.000 0.000 0.282 472 K C -1.843 174.540 176.600 -0.362 0.000 1.039 472 K CA -1.626 54.514 56.287 -0.244 0.000 0.928 472 K CB -0.009 32.359 32.500 -0.219 0.000 1.039 472 K HN 0.471 nan 8.250 nan 0.000 0.470 473 P HA -0.273 nan 4.420 nan 0.000 0.215 473 P C 0.715 177.682 177.300 -0.555 0.000 1.153 473 P CA 1.382 64.202 63.100 -0.467 0.000 0.853 473 P CB 0.307 31.661 31.700 -0.577 0.000 0.788 474 Q N -0.449 118.775 119.800 -0.959 0.000 2.152 474 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 474 Q C 2.347 177.842 176.000 -0.841 0.000 0.985 474 Q CA 2.307 57.464 55.803 -1.077 0.000 0.863 474 Q CB -1.616 25.905 28.738 -2.028 0.000 0.904 474 Q HN 0.270 nan 8.270 nan 0.000 0.422 475 T N -0.100 114.028 114.554 -0.710 0.000 2.746 475 T HA -0.109 4.241 4.350 0.000 0.000 0.267 475 T C 1.898 176.478 174.700 -0.200 0.000 1.039 475 T CA 1.312 63.220 62.100 -0.321 0.000 1.142 475 T CB -0.285 68.484 68.868 -0.165 0.000 0.866 475 T HN 0.068 nan 8.240 nan 0.000 0.444 476 V N 1.454 121.255 119.914 -0.188 0.000 2.332 476 V HA -0.162 3.958 4.120 0.000 0.000 0.248 476 V C 2.348 178.423 176.094 -0.033 0.000 1.055 476 V CA 1.517 63.759 62.300 -0.096 0.000 1.038 476 V CB -0.674 31.099 31.823 -0.084 0.000 0.651 476 V HN 0.491 nan 8.190 nan 0.000 0.450 477 I N -0.427 120.131 120.570 -0.021 0.000 2.202 477 I HA -0.217 3.953 4.170 0.000 0.000 0.242 477 I C 2.560 178.687 176.117 0.017 0.000 1.091 477 I CA 1.554 62.926 61.300 0.120 0.000 1.368 477 I CB -0.454 37.678 38.000 0.219 0.000 1.058 477 I HN 0.245 nan 8.210 nan 0.000 0.410 478 K N 0.999 121.355 120.400 -0.073 0.000 2.063 478 K HA -0.195 4.125 4.320 0.000 0.000 0.208 478 K C 2.125 178.624 176.600 -0.167 0.000 1.048 478 K CA 1.415 57.629 56.287 -0.121 0.000 0.928 478 K CB -0.148 32.300 32.500 -0.087 0.000 0.713 478 K HN 0.311 nan 8.250 nan 0.000 0.442 479 K N 0.616 120.945 120.400 -0.118 0.000 2.031 479 K HA -0.104 4.216 4.320 0.000 0.000 0.205 479 K C 2.117 178.650 176.600 -0.112 0.000 1.049 479 K CA 0.806 57.030 56.287 -0.105 0.000 0.939 479 K CB -0.247 32.212 32.500 -0.067 0.000 0.717 479 K HN -0.003 nan 8.250 nan 0.000 0.438 480 L N 1.410 122.600 121.223 -0.055 0.000 2.079 480 L HA -0.179 4.161 4.340 0.000 0.000 0.210 480 L C 2.324 179.076 176.870 -0.197 0.000 1.081 480 L CA 1.682 56.534 54.840 0.021 0.000 0.752 480 L CB -0.778 41.418 42.059 0.228 0.000 0.896 480 L HN 0.060 nan 8.230 nan 0.000 0.433 481 S N -1.028 114.315 115.700 -0.596 0.000 2.370 481 S HA -0.219 4.251 4.470 0.000 0.000 0.226 481 S C 2.194 176.387 174.600 -0.678 0.000 1.033 481 S CA 1.343 58.740 58.200 -1.339 0.000 1.011 481 S CB -0.341 61.965 63.200 -1.489 0.000 0.852 481 S HN 0.441 nan 8.310 nan 0.000 0.457 482 K N 0.961 121.116 120.400 -0.407 0.000 2.002 482 K HA -0.028 4.292 4.320 0.000 0.000 0.209 482 K C 2.096 178.595 176.600 -0.168 0.000 1.048 482 K CA 1.540 57.677 56.287 -0.250 0.000 0.930 482 K CB -0.961 31.433 32.500 -0.176 0.000 0.714 482 K HN 0.344 nan 8.250 nan 0.000 0.438 483 V N 1.567 121.408 119.914 -0.121 0.000 2.332 483 V HA -0.276 3.844 4.120 0.000 0.000 0.248 483 V C 2.577 178.648 176.094 -0.037 0.000 1.055 483 V CA 2.045 64.314 62.300 -0.051 0.000 1.038 483 V CB -0.863 30.962 31.823 0.002 0.000 0.651 483 V HN 0.403 nan 8.190 nan 0.000 0.450 484 A N 0.449 123.245 122.820 -0.041 0.000 1.877 484 A HA -0.311 4.009 4.320 0.000 0.000 0.216 484 A C 2.079 179.652 177.584 -0.018 0.000 1.186 484 A CA 2.401 54.450 52.037 0.021 0.000 0.620 484 A CB -0.937 18.147 19.000 0.140 0.000 0.822 484 A HN 0.623 nan 8.150 nan 0.000 0.443 485 N N 0.262 118.904 118.700 -0.098 0.000 2.149 485 N HA -0.169 4.571 4.740 0.000 0.000 0.188 485 N C 0.943 176.421 175.510 -0.054 0.000 1.019 485 N CA 1.789 54.785 53.050 -0.090 0.000 0.857 485 N CB -0.298 38.092 38.487 -0.161 0.000 0.997 485 N HN 0.405 nan 8.380 nan 0.000 0.426 486 D N -1.249 119.117 120.400 -0.056 0.000 2.309 486 D HA -0.103 4.537 4.640 0.000 0.000 0.212 486 D C 1.658 177.948 176.300 -0.017 0.000 0.968 486 D CA 1.357 55.335 54.000 -0.037 0.000 0.882 486 D CB -0.561 40.217 40.800 -0.037 0.000 0.918 486 D HN 0.577 nan 8.370 nan 0.000 0.503 487 T N -3.426 111.123 114.554 -0.008 0.000 3.055 487 T HA 0.182 4.532 4.350 0.000 0.000 0.265 487 T C 1.874 176.581 174.700 0.011 0.000 1.111 487 T CA 1.016 63.118 62.100 0.004 0.000 1.118 487 T CB 0.135 69.010 68.868 0.011 0.000 0.909 487 T HN 0.197 nan 8.240 nan 0.000 0.501 488 G N 1.871 110.676 108.800 0.010 0.000 2.212 488 G HA2 -0.315 3.645 3.960 0.000 0.000 0.266 488 G HA3 -0.315 3.645 3.960 0.000 0.000 0.266 488 G C 0.365 175.290 174.900 0.042 0.000 0.978 488 G CA 0.272 45.383 45.100 0.019 0.000 0.632 488 G HN 0.722 nan 8.290 nan 0.000 0.537 489 R N 0.178 120.708 120.500 0.050 0.000 2.707 489 R HA 0.369 4.709 4.340 0.000 0.000 0.270 489 R C 0.516 176.885 176.300 0.116 0.000 1.083 489 R CA -0.505 55.643 56.100 0.081 0.000 1.182 489 R CB 0.316 30.658 30.300 0.071 0.000 1.084 489 R HN 0.406 nan 8.270 nan 0.000 0.528 490 H N 1.197 120.302 119.070 0.058 0.000 2.767 490 H HA 0.151 4.707 4.556 0.000 0.000 0.316 490 H C -1.045 174.343 175.328 0.100 0.000 1.059 490 H CA -0.081 56.014 56.048 0.079 0.000 1.461 490 H CB 0.634 30.435 29.762 0.066 0.000 1.475 490 H HN 0.103 nan 8.280 nan 0.000 0.531 491 V N 8.007 127.797 119.914 -0.207 0.000 2.459 491 V HA 0.316 4.436 4.120 0.000 0.000 0.295 491 V C 0.351 176.407 176.094 -0.063 0.000 1.029 491 V CA -0.692 61.591 62.300 -0.029 0.000 0.874 491 V CB 1.678 33.585 31.823 0.140 0.000 0.985 491 V HN 0.621 nan 8.190 nan 0.000 0.438 492 I N 4.248 124.841 120.570 0.039 0.000 2.474 492 I HA 0.598 4.768 4.170 0.000 0.000 0.294 492 I C -0.835 175.317 176.117 0.058 0.000 1.005 492 I CA -0.873 60.475 61.300 0.080 0.000 1.113 492 I CB 2.285 40.357 38.000 0.120 0.000 1.289 492 I HN 0.272 nan 8.210 nan 0.000 0.436 493 V N 4.032 123.998 119.914 0.086 0.000 2.540 493 V HA 0.552 4.672 4.120 0.000 0.000 0.302 493 V C 0.046 176.198 176.094 0.096 0.000 1.035 493 V CA -0.437 61.889 62.300 0.044 0.000 0.873 493 V CB 2.120 33.902 31.823 -0.068 0.000 0.992 493 V HN 0.900 nan 8.190 nan 0.000 0.428 494 T N 0.604 115.193 114.554 0.058 0.000 2.926 494 T HA 0.928 5.278 4.350 0.000 0.000 0.289 494 T C -0.248 174.504 174.700 0.087 0.000 1.054 494 T CA -0.282 61.836 62.100 0.028 0.000 1.015 494 T CB 2.229 71.093 68.868 -0.005 0.000 1.167 494 T HN 0.929 nan 8.240 nan 0.000 0.526 495 T N -2.121 112.492 114.554 0.098 0.000 2.787 495 T HA 0.774 5.124 4.350 0.000 0.000 0.297 495 T C 0.450 175.272 174.700 0.204 0.000 1.221 495 T CA -0.348 61.854 62.100 0.171 0.000 1.006 495 T CB 1.248 70.197 68.868 0.135 0.000 1.328 495 T HN 1.044 nan 8.240 nan 0.000 0.509 496 G N -0.360 108.655 108.800 0.358 0.000 2.773 496 G HA2 0.623 4.583 3.960 0.000 0.000 0.186 496 G HA3 0.623 4.583 3.960 0.000 0.000 0.186 496 G C -1.035 173.934 174.900 0.115 0.000 1.411 496 G CA -0.693 44.615 45.100 0.346 0.000 1.054 496 G HN 0.935 nan 8.290 nan 0.000 0.579 497 V N -0.134 119.844 119.914 0.106 0.000 2.588 497 V HA 0.823 4.943 4.120 0.000 0.000 0.304 497 V C 0.646 176.719 176.094 -0.036 0.000 1.042 497 V CA 0.643 62.893 62.300 -0.083 0.000 0.877 497 V CB 0.750 32.533 31.823 -0.066 0.000 0.996 497 V HN 1.682 nan 8.190 nan 0.000 0.425 498 G N 3.496 112.163 108.800 -0.222 0.000 2.332 498 G HA2 0.018 3.978 3.960 0.000 0.000 0.265 498 G HA3 0.018 3.978 3.960 0.000 0.000 0.265 498 G C -0.009 174.701 174.900 -0.317 0.000 1.329 498 G CA -0.019 44.997 45.100 -0.141 0.000 0.949 498 G HN 0.436 nan 8.290 nan 0.000 0.476 499 Q N -0.530 119.076 119.800 -0.324 0.000 2.084 499 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 499 Q C 2.243 177.651 176.000 -0.986 0.000 0.978 499 Q CA 1.924 57.245 55.803 -0.804 0.000 0.844 499 Q CB -0.267 27.860 28.738 -1.020 0.000 0.898 499 Q HN 0.785 nan 8.270 nan 0.000 0.426 500 H N 0.342 119.174 119.070 -0.396 0.000 2.457 500 H HA -0.146 4.411 4.556 0.000 0.000 0.297 500 H C 1.775 177.164 175.328 0.102 0.000 1.092 500 H CA 1.548 57.650 56.048 0.090 0.000 1.309 500 H CB -0.214 29.663 29.762 0.192 0.000 1.382 500 H HN 0.383 nan 8.280 nan 0.000 0.535 501 Q N 0.150 119.565 119.800 -0.641 0.000 2.046 501 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 501 Q C 2.025 178.007 176.000 -0.031 0.000 0.975 501 Q CA 1.453 57.065 55.803 -0.318 0.000 0.836 501 Q CB 0.151 28.653 28.738 -0.392 0.000 0.896 501 Q HN 0.261 nan 8.270 nan 0.000 0.428 502 M N -0.715 118.805 119.600 -0.134 0.000 2.175 502 M HA -0.153 4.327 4.480 0.000 0.000 0.264 502 M C 1.787 178.166 176.300 0.132 0.000 1.063 502 M CA 1.061 56.353 55.300 -0.014 0.000 1.119 502 M CB -1.252 31.293 32.600 -0.091 0.000 1.377 502 M HN 0.393 nan 8.290 nan 0.000 0.415 503 W N 0.601 121.981 121.300 0.134 0.000 2.363 503 W HA -0.021 4.639 4.660 0.000 0.000 0.296 503 W C 2.681 179.339 176.519 0.231 0.000 1.212 503 W CA 1.419 58.885 57.345 0.201 0.000 1.260 503 W CB -1.544 28.044 29.460 0.214 0.000 1.131 503 W HN 0.297 nan 8.180 nan 0.000 0.530 504 A N 0.578 123.675 122.820 0.462 0.000 1.902 504 A HA -0.024 4.296 4.320 0.000 0.000 0.217 504 A C 2.268 180.095 177.584 0.404 0.000 1.181 504 A CA 2.774 55.071 52.037 0.433 0.000 0.623 504 A CB -1.113 18.143 19.000 0.426 0.000 0.818 504 A HN 0.120 nan 8.150 nan 0.000 0.443 505 A N -0.538 122.462 122.820 0.299 0.000 1.877 505 A HA -0.220 4.100 4.320 0.000 0.000 0.216 505 A C 2.162 179.925 177.584 0.298 0.000 1.186 505 A CA 1.752 53.874 52.037 0.142 0.000 0.620 505 A CB -0.602 18.477 19.000 0.131 0.000 0.822 505 A HN 0.677 nan 8.150 nan 0.000 0.443 506 Q N -1.203 118.711 119.800 0.190 0.000 1.994 506 Q HA -0.120 4.220 4.340 0.000 0.000 0.198 506 Q C 1.684 177.692 176.000 0.013 0.000 0.976 506 Q CA 1.367 57.206 55.803 0.061 0.000 0.828 506 Q CB -0.300 28.388 28.738 -0.083 0.000 0.894 506 Q HN 0.778 nan 8.270 nan 0.000 0.432 507 H N -1.588 117.658 119.070 0.293 0.000 2.547 507 H HA 0.020 4.577 4.556 0.000 0.000 0.266 507 H C 0.039 175.408 175.328 0.068 0.000 0.988 507 H CA 0.168 56.313 56.048 0.161 0.000 1.147 507 H CB 0.024 29.834 29.762 0.079 0.000 1.365 507 H HN 0.292 nan 8.280 nan 0.000 0.589 508 W N 1.816 123.043 121.300 -0.120 0.000 2.448 508 W HA 0.216 4.876 4.660 0.000 0.000 0.339 508 W C -0.665 175.413 176.519 -0.736 0.000 1.124 508 W CA -0.389 56.660 57.345 -0.494 0.000 1.262 508 W CB 1.456 30.423 29.460 -0.823 0.000 1.251 508 W HN -0.269 nan 8.180 nan 0.000 0.597 509 T N 5.371 119.446 114.554 -0.799 0.000 2.781 509 T HA 0.151 4.501 4.350 0.000 0.000 0.305 509 T C -0.750 173.709 174.700 -0.402 0.000 1.001 509 T CA -0.032 61.781 62.100 -0.479 0.000 0.950 509 T CB -0.226 68.431 68.868 -0.351 0.000 0.955 509 T HN 0.217 nan 8.240 nan 0.000 0.471 510 W N 3.095 124.500 121.300 0.176 0.000 2.287 510 W HA 0.418 5.078 4.660 0.000 0.000 0.313 510 W C 1.377 177.950 176.519 0.089 0.000 1.267 510 W CA -0.828 56.612 57.345 0.159 0.000 1.201 510 W CB 0.830 30.336 29.460 0.078 0.000 1.196 510 W HN 0.560 nan 8.180 nan 0.000 0.536 511 R N 1.165 121.835 120.500 0.284 0.000 2.551 511 R HA 0.125 4.465 4.340 0.000 0.000 0.202 511 R C -0.278 176.102 176.300 0.133 0.000 0.861 511 R CA -0.198 55.986 56.100 0.141 0.000 1.018 511 R CB 0.246 30.585 30.300 0.064 0.000 1.435 511 R HN 0.463 nan 8.270 nan 0.000 0.659 512 N N 3.093 121.903 118.700 0.183 0.000 2.370 512 N HA 0.302 5.042 4.740 0.000 0.000 0.303 512 N C -2.755 172.877 175.510 0.204 0.000 1.103 512 N CA -1.731 51.426 53.050 0.178 0.000 0.848 512 N CB 1.998 40.595 38.487 0.183 0.000 1.235 512 N HN -0.109 nan 8.380 nan 0.000 0.496 513 P HA -0.018 nan 4.420 nan 0.000 0.274 513 P C -0.718 176.738 177.300 0.261 0.000 1.231 513 P CA 0.514 63.710 63.100 0.160 0.000 0.790 513 P CB 0.482 32.294 31.700 0.187 0.000 0.951 514 H N -0.216 118.915 119.070 0.103 0.000 2.839 514 H HA -0.095 4.461 4.556 0.000 0.000 0.298 514 H C 0.626 176.033 175.328 0.131 0.000 1.224 514 H CA 1.336 57.440 56.048 0.093 0.000 1.144 514 H CB -2.295 27.518 29.762 0.086 0.000 1.372 514 H HN 0.635 nan 8.280 nan 0.000 0.408 515 T N -3.955 110.712 114.554 0.189 0.000 3.004 515 T HA 0.202 4.552 4.350 0.000 0.000 0.266 515 T C 0.032 174.865 174.700 0.223 0.000 0.986 515 T CA -0.246 61.977 62.100 0.206 0.000 0.902 515 T CB 0.381 69.379 68.868 0.217 0.000 1.118 515 T HN 0.110 nan 8.240 nan 0.000 0.522 516 F N 2.495 122.349 119.950 -0.160 0.000 2.382 516 F HA 0.671 5.198 4.527 0.000 0.000 0.361 516 F C -1.175 174.503 175.800 -0.204 0.000 1.109 516 F CA -2.818 54.961 58.000 -0.367 0.000 1.031 516 F CB 0.928 39.360 39.000 -0.948 0.000 1.234 516 F HN 0.052 nan 8.300 nan 0.000 0.445 517 I N 5.760 126.135 120.570 -0.326 0.000 2.428 517 I HA 0.259 4.429 4.170 0.000 0.000 0.279 517 I C -0.187 175.763 176.117 -0.278 0.000 1.040 517 I CA -0.194 60.966 61.300 -0.233 0.000 1.171 517 I CB 1.386 39.362 38.000 -0.039 0.000 1.312 517 I HN 0.484 nan 8.210 nan 0.000 0.470 518 T N 2.974 117.223 114.554 -0.507 0.000 2.903 518 T HA 0.283 4.633 4.350 0.000 0.000 0.299 518 T C -0.554 173.802 174.700 -0.573 0.000 1.093 518 T CA -0.414 61.391 62.100 -0.491 0.000 1.002 518 T CB 1.973 70.351 68.868 -0.817 0.000 1.127 518 T HN 0.356 nan 8.240 nan 0.000 0.488 519 S N 2.218 117.445 115.700 -0.789 0.000 2.416 519 S HA 0.443 4.913 4.470 0.000 0.000 0.302 519 S C 1.237 175.575 174.600 -0.437 0.000 1.120 519 S CA 0.045 57.758 58.200 -0.810 0.000 1.067 519 S CB -0.337 62.268 63.200 -0.991 0.000 1.057 519 S HN 0.861 nan 8.310 nan 0.000 0.518 520 G N 3.891 112.488 108.800 -0.338 0.000 2.556 520 G HA2 0.157 4.117 3.960 0.000 0.000 0.209 520 G HA3 0.157 4.117 3.960 0.000 0.000 0.209 520 G C 1.312 176.105 174.900 -0.177 0.000 1.159 520 G CA 0.415 45.376 45.100 -0.232 0.000 0.828 520 G HN 0.765 nan 8.290 nan 0.000 0.553 521 G N 0.803 109.505 108.800 -0.163 0.000 2.421 521 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 521 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 521 G C 1.644 176.488 174.900 -0.094 0.000 1.171 521 G CA 1.222 46.254 45.100 -0.114 0.000 0.775 521 G HN 0.382 nan 8.290 nan 0.000 0.543 522 L N 0.019 121.179 121.223 -0.107 0.000 2.515 522 L HA 0.437 4.777 4.340 0.000 0.000 0.223 522 L C 1.613 178.422 176.870 -0.103 0.000 1.079 522 L CA 1.344 56.138 54.840 -0.076 0.000 0.857 522 L CB -0.001 42.033 42.059 -0.042 0.000 1.050 522 L HN 0.418 nan 8.230 nan 0.000 0.476 523 G N 1.268 109.969 108.800 -0.165 0.000 2.367 523 G HA2 -0.266 3.694 3.960 0.000 0.000 0.295 523 G HA3 -0.266 3.694 3.960 0.000 0.000 0.295 523 G C 0.121 174.938 174.900 -0.137 0.000 1.019 523 G CA 0.555 45.553 45.100 -0.171 0.000 1.224 523 G HN 0.327 nan 8.290 nan 0.000 0.510 524 T N 2.374 116.823 114.554 -0.175 0.000 2.723 524 T HA 0.472 4.822 4.350 0.000 0.000 0.297 524 T C 1.227 175.878 174.700 -0.082 0.000 0.925 524 T CA -0.138 61.902 62.100 -0.101 0.000 1.030 524 T CB 0.607 69.435 68.868 -0.066 0.000 0.905 524 T HN 0.427 nan 8.240 nan 0.000 0.502 525 M N 2.339 121.920 119.600 -0.031 0.000 2.249 525 M HA 0.322 4.802 4.480 0.000 0.000 0.340 525 M C 1.518 177.815 176.300 -0.004 0.000 1.166 525 M CA 0.967 56.270 55.300 0.006 0.000 1.115 525 M CB 0.331 32.944 32.600 0.022 0.000 1.606 525 M HN 0.983 nan 8.290 nan 0.000 0.448 526 G N 1.309 110.118 108.800 0.015 0.000 2.176 526 G HA2 -0.318 3.642 3.960 0.000 0.000 0.232 526 G HA3 -0.318 3.642 3.960 0.000 0.000 0.232 526 G C 0.382 175.241 174.900 -0.068 0.000 0.986 526 G CA 0.396 45.480 45.100 -0.026 0.000 0.643 526 G HN 0.819 nan 8.290 nan 0.000 0.522 527 Y N 1.580 121.725 120.300 -0.258 0.000 2.181 527 Y HA 0.128 4.678 4.550 0.000 0.000 0.288 527 Y C 2.664 178.462 175.900 -0.170 0.000 1.146 527 Y CA 2.734 60.606 58.100 -0.380 0.000 1.164 527 Y CB -0.601 37.648 38.460 -0.350 0.000 0.982 527 Y HN 0.271 nan 8.280 nan 0.000 0.515 528 G N 0.983 109.810 108.800 0.045 0.000 2.681 528 G HA2 -0.386 3.574 3.960 0.000 0.000 0.220 528 G HA3 -0.386 3.574 3.960 0.000 0.000 0.220 528 G C 1.596 176.479 174.900 -0.028 0.000 1.210 528 G CA 1.526 46.645 45.100 0.031 0.000 0.783 528 G HN 0.457 nan 8.290 nan 0.000 0.609 529 L N 2.650 123.890 121.223 0.028 0.000 1.970 529 L HA -0.007 4.333 4.340 0.000 0.000 0.212 529 L C 0.480 177.335 176.870 -0.025 0.000 1.071 529 L CA 2.712 57.580 54.840 0.047 0.000 0.751 529 L CB -1.274 40.828 42.059 0.072 0.000 0.889 529 L HN 0.218 nan 8.230 nan 0.000 0.432 530 P HA -0.154 nan 4.420 nan 0.000 0.217 530 P C 1.398 178.600 177.300 -0.164 0.000 1.150 530 P CA 2.095 65.148 63.100 -0.077 0.000 0.832 530 P CB -0.188 31.492 31.700 -0.033 0.000 0.787 531 A N 0.594 123.212 122.820 -0.336 0.000 1.930 531 A HA -0.016 4.304 4.320 0.000 0.000 0.217 531 A C 2.510 179.975 177.584 -0.198 0.000 1.175 531 A CA 1.995 53.770 52.037 -0.435 0.000 0.627 531 A CB -1.470 16.964 19.000 -0.944 0.000 0.815 531 A HN 0.236 nan 8.150 nan 0.000 0.443 532 A N -0.033 122.714 122.820 -0.122 0.000 1.898 532 A HA -0.045 4.275 4.320 0.000 0.000 0.216 532 A C 2.095 179.690 177.584 0.018 0.000 1.181 532 A CA 1.424 53.446 52.037 -0.024 0.000 0.620 532 A CB -0.563 18.446 19.000 0.015 0.000 0.819 532 A HN 0.487 nan 8.150 nan 0.000 0.442 533 I N -0.300 120.283 120.570 0.022 0.000 2.179 533 I HA -0.211 3.959 4.170 0.000 0.000 0.242 533 I C 2.694 178.882 176.117 0.118 0.000 1.088 533 I CA 1.222 62.566 61.300 0.074 0.000 1.357 533 I CB -0.576 37.473 38.000 0.082 0.000 1.051 533 I HN 0.398 nan 8.210 nan 0.000 0.409 534 G N 0.283 109.119 108.800 0.060 0.000 2.408 534 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 534 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 534 G C 1.851 176.874 174.900 0.205 0.000 1.150 534 G CA 0.771 45.941 45.100 0.117 0.000 0.776 534 G HN 0.489 nan 8.290 nan 0.000 0.542 535 A N 0.197 123.069 122.820 0.087 0.000 1.898 535 A HA -0.067 4.253 4.320 0.000 0.000 0.216 535 A C 2.300 179.947 177.584 0.104 0.000 1.181 535 A CA 2.202 54.284 52.037 0.074 0.000 0.620 535 A CB -0.417 18.608 19.000 0.041 0.000 0.819 535 A HN 0.402 nan 8.150 nan 0.000 0.442 536 Q N -0.086 119.780 119.800 0.111 0.000 2.084 536 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 536 Q C 1.821 177.904 176.000 0.139 0.000 0.978 536 Q CA 2.055 57.923 55.803 0.109 0.000 0.844 536 Q CB -0.565 28.230 28.738 0.095 0.000 0.898 536 Q HN 0.337 nan 8.270 nan 0.000 0.426 537 V N 0.527 120.565 119.914 0.206 0.000 2.490 537 V HA -0.228 3.892 4.120 0.000 0.000 0.250 537 V C 2.170 178.432 176.094 0.280 0.000 1.061 537 V CA 1.658 64.108 62.300 0.248 0.000 1.064 537 V CB -1.062 30.965 31.823 0.340 0.000 0.670 537 V HN 0.500 nan 8.190 nan 0.000 0.461 538 A N -1.112 121.868 122.820 0.268 0.000 1.929 538 A HA -0.027 4.293 4.320 0.000 0.000 0.216 538 A C 1.369 178.959 177.584 0.010 0.000 1.176 538 A CA 1.061 53.133 52.037 0.059 0.000 0.628 538 A CB 0.019 18.855 19.000 -0.275 0.000 0.816 538 A HN 0.372 nan 8.150 nan 0.000 0.444 539 K N -0.482 119.941 120.400 0.039 0.000 2.679 539 K HA 0.302 4.622 4.320 0.000 0.000 0.188 539 K C -2.539 174.093 176.600 0.054 0.000 1.055 539 K CA -1.881 54.421 56.287 0.025 0.000 1.006 539 K CB 1.145 33.665 32.500 0.034 0.000 1.317 539 K HN 0.063 nan 8.250 nan 0.000 0.584 540 P HA -0.163 nan 4.420 nan 0.000 0.217 540 P C 0.688 178.016 177.300 0.046 0.000 1.148 540 P CA 1.267 64.399 63.100 0.053 0.000 0.828 540 P CB 0.513 32.240 31.700 0.044 0.000 0.783 541 E N -1.069 119.154 120.200 0.038 0.000 2.442 541 E HA 0.099 4.449 4.350 0.000 0.000 0.195 541 E C 0.595 177.236 176.600 0.069 0.000 1.030 541 E CA 0.364 56.788 56.400 0.041 0.000 0.869 541 E CB -0.379 29.337 29.700 0.025 0.000 0.857 541 E HN 0.196 nan 8.360 nan 0.000 0.505 542 S N 1.172 116.930 115.700 0.096 0.000 2.592 542 S HA 0.237 4.707 4.470 0.000 0.000 0.271 542 S C 0.043 174.708 174.600 0.108 0.000 1.326 542 S CA -0.621 57.675 58.200 0.161 0.000 1.024 542 S CB 0.851 64.210 63.200 0.265 0.000 0.921 542 S HN 0.123 nan 8.310 nan 0.000 0.527 543 L N 4.079 125.362 121.223 0.101 0.000 2.261 543 L HA 0.472 4.812 4.340 0.000 0.000 0.289 543 L C -1.031 175.874 176.870 0.059 0.000 1.059 543 L CA -0.040 54.833 54.840 0.054 0.000 0.816 543 L CB 0.377 42.463 42.059 0.045 0.000 1.191 543 L HN 0.366 nan 8.230 nan 0.000 0.431 544 V N 7.248 127.186 119.914 0.040 0.000 2.347 544 V HA 0.453 4.573 4.120 0.000 0.000 0.280 544 V C 0.244 176.353 176.094 0.026 0.000 1.021 544 V CA -0.391 61.936 62.300 0.045 0.000 0.847 544 V CB 1.151 33.007 31.823 0.055 0.000 0.990 544 V HN 0.616 nan 8.190 nan 0.000 0.444 545 I N 3.796 124.388 120.570 0.037 0.000 2.404 545 I HA 0.426 4.596 4.170 0.000 0.000 0.293 545 I C -0.702 175.461 176.117 0.076 0.000 0.992 545 I CA -0.448 60.891 61.300 0.065 0.000 1.149 545 I CB 2.095 40.152 38.000 0.095 0.000 1.315 545 I HN 0.569 nan 8.210 nan 0.000 0.446 546 D N 7.590 128.062 120.400 0.120 0.000 2.427 546 D HA 0.352 4.992 4.640 0.000 0.000 0.226 546 D C -0.570 175.809 176.300 0.132 0.000 1.076 546 D CA -0.266 53.802 54.000 0.113 0.000 0.849 546 D CB 0.806 41.673 40.800 0.111 0.000 1.052 546 D HN 0.317 nan 8.370 nan 0.000 0.515 547 I N 3.751 124.411 120.570 0.151 0.000 2.278 547 I HA 0.191 4.361 4.170 0.000 0.000 0.296 547 I C 0.330 176.586 176.117 0.231 0.000 1.121 547 I CA -0.301 61.109 61.300 0.183 0.000 1.267 547 I CB 0.457 38.599 38.000 0.237 0.000 1.447 547 I HN 0.307 nan 8.210 nan 0.000 0.509 548 D N 4.228 124.655 120.400 0.044 0.000 2.340 548 D HA 0.565 5.205 4.640 0.000 0.000 0.243 548 D C -0.064 175.882 176.300 -0.590 0.000 0.988 548 D CA -0.186 53.742 54.000 -0.120 0.000 0.959 548 D CB 2.459 43.241 40.800 -0.031 0.000 1.226 548 D HN 0.495 nan 8.370 nan 0.000 0.509 549 G N -0.240 108.029 108.800 -0.884 0.000 2.434 549 G HA2 0.250 4.210 3.960 0.000 0.000 0.330 549 G HA3 0.250 4.210 3.960 0.000 0.000 0.330 549 G C 0.791 175.557 174.900 -0.224 0.000 1.155 549 G CA -0.445 44.233 45.100 -0.702 0.000 0.917 549 G HN 0.511 nan 8.290 nan 0.000 0.493 550 D N 0.487 120.825 120.400 -0.103 0.000 2.097 550 D HA -0.143 4.497 4.640 0.000 0.000 0.197 550 D C 2.305 178.713 176.300 0.181 0.000 0.984 550 D CA 1.249 55.279 54.000 0.049 0.000 0.826 550 D CB -0.488 40.423 40.800 0.184 0.000 0.973 550 D HN 0.366 nan 8.370 nan 0.000 0.460 551 A N 0.985 123.882 122.820 0.128 0.000 1.898 551 A HA -0.118 4.202 4.320 0.000 0.000 0.216 551 A C 2.537 180.189 177.584 0.113 0.000 1.181 551 A CA 1.921 54.034 52.037 0.127 0.000 0.620 551 A CB -0.702 18.355 19.000 0.095 0.000 0.819 551 A HN 0.262 nan 8.150 nan 0.000 0.442 552 S N -1.124 114.638 115.700 0.103 0.000 2.359 552 S HA -0.151 4.319 4.470 0.000 0.000 0.224 552 S C 1.660 176.321 174.600 0.102 0.000 1.035 552 S CA 1.517 59.778 58.200 0.102 0.000 1.018 552 S CB -0.521 62.767 63.200 0.145 0.000 0.876 552 S HN 0.607 nan 8.310 nan 0.000 0.448 553 F N 2.847 122.778 119.950 -0.031 0.000 2.161 553 F HA -0.154 4.373 4.527 0.000 0.000 0.300 553 F C 1.726 177.546 175.800 0.033 0.000 1.089 553 F CA 1.355 59.331 58.000 -0.039 0.000 1.282 553 F CB -0.687 38.217 39.000 -0.159 0.000 1.010 553 F HN 0.159 nan 8.300 nan 0.000 0.485 554 N N -0.454 118.297 118.700 0.086 0.000 2.223 554 N HA -0.201 4.539 4.740 0.000 0.000 0.185 554 N C 1.893 177.356 175.510 -0.077 0.000 1.016 554 N CA 1.565 54.631 53.050 0.028 0.000 0.863 554 N CB -0.162 38.403 38.487 0.131 0.000 0.983 554 N HN 0.222 nan 8.380 nan 0.000 0.429 555 M N -0.260 119.303 119.600 -0.063 0.000 2.106 555 M HA -0.107 4.373 4.480 0.000 0.000 0.259 555 M C 1.175 177.396 176.300 -0.131 0.000 1.068 555 M CA 1.561 56.816 55.300 -0.073 0.000 1.100 555 M CB -1.103 31.471 32.600 -0.044 0.000 1.351 555 M HN 0.315 nan 8.290 nan 0.000 0.404 556 T N -2.561 111.876 114.554 -0.194 0.000 3.337 556 T HA 0.300 4.650 4.350 0.000 0.000 0.299 556 T C 1.180 175.705 174.700 -0.292 0.000 0.998 556 T CA -0.393 61.585 62.100 -0.202 0.000 0.948 556 T CB -0.615 68.173 68.868 -0.133 0.000 1.170 556 T HN 0.435 nan 8.240 nan 0.000 0.508 557 L N -0.759 120.191 121.223 -0.455 0.000 2.447 557 L HA 0.027 4.367 4.340 0.000 0.000 0.225 557 L C 1.954 178.702 176.870 -0.203 0.000 1.148 557 L CA 1.686 56.177 54.840 -0.581 0.000 0.808 557 L CB -1.578 40.069 42.059 -0.687 0.000 0.928 557 L HN 0.313 nan 8.230 nan 0.000 0.448 558 T N 0.201 114.686 114.554 -0.116 0.000 2.962 558 T HA -0.101 4.249 4.350 0.000 0.000 0.270 558 T C 1.559 176.263 174.700 0.007 0.000 1.088 558 T CA 1.155 63.240 62.100 -0.025 0.000 1.127 558 T CB -0.228 68.639 68.868 -0.002 0.000 0.883 558 T HN 0.449 nan 8.240 nan 0.000 0.493 559 E N 0.883 121.073 120.200 -0.016 0.000 2.516 559 E HA 0.022 4.372 4.350 0.000 0.000 0.199 559 E C 1.884 178.519 176.600 0.057 0.000 1.069 559 E CA 0.028 56.446 56.400 0.030 0.000 0.876 559 E CB -0.261 29.449 29.700 0.017 0.000 0.843 559 E HN 0.382 nan 8.360 nan 0.000 0.530 560 L N 1.314 122.572 121.223 0.058 0.000 2.012 560 L HA -0.208 4.132 4.340 0.000 0.000 0.210 560 L C 2.394 179.326 176.870 0.104 0.000 1.073 560 L CA 2.099 57.005 54.840 0.110 0.000 0.748 560 L CB -1.174 40.973 42.059 0.147 0.000 0.891 560 L HN 0.144 nan 8.230 nan 0.000 0.431 561 S N -2.734 113.021 115.700 0.093 0.000 2.423 561 S HA -0.119 4.351 4.470 0.000 0.000 0.231 561 S C 2.028 176.686 174.600 0.097 0.000 1.014 561 S CA 1.126 59.381 58.200 0.092 0.000 0.965 561 S CB -0.515 62.737 63.200 0.087 0.000 0.785 561 S HN 0.393 nan 8.310 nan 0.000 0.495 562 S N 2.291 118.052 115.700 0.102 0.000 2.383 562 S HA 0.139 4.609 4.470 0.000 0.000 0.227 562 S C 2.321 176.986 174.600 0.108 0.000 1.026 562 S CA 0.914 59.183 58.200 0.114 0.000 0.981 562 S CB -0.744 62.529 63.200 0.122 0.000 0.818 562 S HN 0.786 nan 8.310 nan 0.000 0.472 563 A N 1.346 124.227 122.820 0.102 0.000 1.877 563 A HA -0.052 4.268 4.320 0.000 0.000 0.216 563 A C 2.344 179.982 177.584 0.090 0.000 1.186 563 A CA 1.567 53.663 52.037 0.098 0.000 0.620 563 A CB -0.980 18.080 19.000 0.100 0.000 0.822 563 A HN 0.333 nan 8.150 nan 0.000 0.443 564 V N 0.021 119.987 119.914 0.088 0.000 2.295 564 V HA -0.337 3.783 4.120 0.000 0.000 0.246 564 V C 2.747 178.886 176.094 0.075 0.000 1.049 564 V CA 2.387 64.734 62.300 0.078 0.000 1.024 564 V CB -0.882 30.988 31.823 0.077 0.000 0.648 564 V HN 0.771 nan 8.190 nan 0.000 0.447 565 Q N -0.133 119.717 119.800 0.083 0.000 2.135 565 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 565 Q C 2.005 178.053 176.000 0.080 0.000 0.981 565 Q CA 1.882 57.735 55.803 0.082 0.000 0.856 565 Q CB -0.231 28.564 28.738 0.096 0.000 0.902 565 Q HN 0.653 nan 8.270 nan 0.000 0.425 566 A N -0.524 122.348 122.820 0.086 0.000 2.238 566 A HA 0.263 4.583 4.320 0.000 0.000 0.208 566 A C 1.409 179.035 177.584 0.071 0.000 1.177 566 A CA 0.756 52.842 52.037 0.081 0.000 0.804 566 A CB -0.393 18.666 19.000 0.099 0.000 0.823 566 A HN 0.600 nan 8.150 nan 0.000 0.482 567 G N 0.156 108.996 108.800 0.067 0.000 2.179 567 G HA2 -0.256 3.704 3.960 0.000 0.000 0.257 567 G HA3 -0.256 3.704 3.960 0.000 0.000 0.257 567 G C 0.360 175.297 174.900 0.061 0.000 1.010 567 G CA 0.729 45.864 45.100 0.058 0.000 0.736 567 G HN 1.410 nan 8.290 nan 0.000 0.513 568 T N -0.577 114.020 114.554 0.071 0.000 2.747 568 T HA 0.596 4.946 4.350 0.000 0.000 0.301 568 T C -1.444 173.293 174.700 0.061 0.000 0.952 568 T CA -1.489 60.655 62.100 0.073 0.000 0.983 568 T CB 2.211 71.133 68.868 0.091 0.000 0.930 568 T HN 0.153 nan 8.240 nan 0.000 0.494 569 P HA 0.118 nan 4.420 nan 0.000 0.238 569 P C 0.592 177.900 177.300 0.014 0.000 1.714 569 P CA -0.357 62.760 63.100 0.029 0.000 0.908 569 P CB -0.704 31.006 31.700 0.017 0.000 1.893 570 V N -1.433 118.502 119.914 0.035 0.000 2.843 570 V HA 0.232 4.352 4.120 0.000 0.000 0.305 570 V C 0.381 176.479 176.094 0.007 0.000 1.065 570 V CA -0.271 62.047 62.300 0.030 0.000 1.116 570 V CB 0.240 32.101 31.823 0.064 0.000 0.968 570 V HN -0.011 nan 8.190 nan 0.000 0.487 571 K N 5.389 125.764 120.400 -0.042 0.000 2.292 571 K HA 0.527 4.847 4.320 0.000 0.000 0.270 571 K C -0.705 176.034 176.600 0.231 0.000 1.062 571 K CA -0.572 55.639 56.287 -0.127 0.000 0.916 571 K CB 1.187 33.266 32.500 -0.702 0.000 1.166 571 K HN 0.624 nan 8.250 nan 0.000 0.458 572 I N 4.392 125.160 120.570 0.330 0.000 2.301 572 I HA 0.188 4.358 4.170 0.000 0.000 0.292 572 I C 0.067 176.262 176.117 0.130 0.000 1.046 572 I CA -1.034 60.390 61.300 0.207 0.000 1.282 572 I CB 0.280 38.325 38.000 0.075 0.000 1.409 572 I HN 0.353 nan 8.210 nan 0.000 0.484 573 L N 8.701 129.963 121.223 0.065 0.000 2.272 573 L HA 0.548 4.888 4.340 0.000 0.000 0.289 573 L C -0.507 176.203 176.870 -0.266 0.000 1.032 573 L CA 0.075 54.802 54.840 -0.190 0.000 0.810 573 L CB 0.803 42.818 42.059 -0.074 0.000 1.205 573 L HN 0.374 nan 8.230 nan 0.000 0.422 574 I N 6.678 127.005 120.570 -0.405 0.000 2.354 574 I HA 0.244 4.414 4.170 0.000 0.000 0.286 574 I C -0.572 175.360 176.117 -0.307 0.000 1.007 574 I CA -0.449 60.566 61.300 -0.475 0.000 1.167 574 I CB 1.213 38.706 38.000 -0.846 0.000 1.320 574 I HN 0.494 nan 8.210 nan 0.000 0.458 575 L N 6.419 127.516 121.223 -0.210 0.000 2.356 575 L HA 0.220 4.560 4.340 0.000 0.000 0.282 575 L C 0.304 177.133 176.870 -0.068 0.000 1.132 575 L CA -0.209 54.576 54.840 -0.092 0.000 0.923 575 L CB -0.234 41.840 42.059 0.026 0.000 1.278 575 L HN 0.537 nan 8.230 nan 0.000 0.436 576 N N 3.065 121.735 118.700 -0.050 0.000 2.406 576 N HA 0.045 4.785 4.740 0.000 0.000 0.251 576 N C 0.148 175.691 175.510 0.055 0.000 1.069 576 N CA -0.327 52.739 53.050 0.028 0.000 0.947 576 N CB 0.647 39.193 38.487 0.098 0.000 1.111 576 N HN 0.477 nan 8.380 nan 0.000 0.497 577 N N 1.250 119.997 118.700 0.078 0.000 2.328 577 N HA 0.080 4.820 4.740 0.000 0.000 0.247 577 N C -0.532 175.026 175.510 0.081 0.000 1.165 577 N CA -0.434 52.666 53.050 0.084 0.000 0.873 577 N CB 0.339 38.902 38.487 0.126 0.000 1.125 577 N HN 0.385 nan 8.380 nan 0.000 0.513 578 E N 1.137 121.388 120.200 0.085 0.000 2.194 578 E HA 0.383 4.733 4.350 0.000 0.000 0.284 578 E C 0.322 176.945 176.600 0.038 0.000 1.035 578 E CA -0.140 56.310 56.400 0.084 0.000 0.836 578 E CB 0.277 30.040 29.700 0.104 0.000 1.070 578 E HN 0.350 nan 8.360 nan 0.000 0.401 597 H N 0.959 119.958 119.070 -0.118 0.000 2.791 597 H HA -0.106 4.450 4.556 0.000 0.000 0.306 597 H C -0.439 174.675 175.328 -0.358 0.000 0.917 597 H CA 0.737 56.625 56.048 -0.266 0.000 0.986 597 H CB -0.728 28.864 29.762 -0.283 0.000 1.601 597 H HN 0.613 nan 8.280 nan 0.000 0.332 598 T N 4.259 118.726 114.554 -0.145 0.000 3.316 598 T HA 0.041 4.391 4.350 0.000 0.000 0.341 598 T C 0.238 174.878 174.700 -0.101 0.000 1.397 598 T CA -0.622 61.420 62.100 -0.097 0.000 1.085 598 T CB -0.055 68.799 68.868 -0.023 0.000 1.160 598 T HN 0.366 nan 8.240 nan 0.000 0.694 599 H N 2.868 121.970 119.070 0.054 0.000 3.017 599 H HA 0.183 4.739 4.556 0.000 0.000 0.276 599 H C 0.398 175.745 175.328 0.031 0.000 1.062 599 H CA -0.080 55.989 56.048 0.034 0.000 1.486 599 H CB 0.443 30.223 29.762 0.030 0.000 1.507 599 H HN 0.427 nan 8.280 nan 0.000 0.508 600 Q N 2.296 122.184 119.800 0.145 0.000 2.230 600 Q HA 0.271 4.611 4.340 0.000 0.000 0.253 600 Q C -1.018 175.029 176.000 0.078 0.000 0.919 600 Q CA -0.957 54.903 55.803 0.094 0.000 0.908 600 Q CB 1.166 29.954 28.738 0.084 0.000 1.245 600 Q HN 0.510 nan 8.270 nan 0.000 0.437 601 L N 4.319 125.570 121.223 0.047 0.000 2.315 601 L HA 0.414 4.754 4.340 0.000 0.000 0.283 601 L C -1.018 175.845 176.870 -0.013 0.000 1.089 601 L CA 0.261 55.108 54.840 0.012 0.000 0.833 601 L CB 0.303 42.363 42.059 0.002 0.000 1.170 601 L HN 0.599 nan 8.230 nan 0.000 0.442 602 N N 6.236 124.900 118.700 -0.059 0.000 2.492 602 N HA 0.529 5.269 4.740 0.000 0.000 0.289 602 N C -2.349 172.980 175.510 -0.303 0.000 1.133 602 N CA -1.016 51.931 53.050 -0.172 0.000 0.961 602 N CB 0.839 39.180 38.487 -0.243 0.000 1.186 602 N HN 0.528 nan 8.380 nan 0.000 0.493 603 P HA 0.116 nan 4.420 nan 0.000 0.282 603 P C -0.689 176.313 177.300 -0.497 0.000 1.287 603 P CA -0.349 62.561 63.100 -0.318 0.000 0.792 603 P CB 0.854 32.451 31.700 -0.171 0.000 1.163 604 D N 0.105 120.351 120.400 -0.257 0.000 2.359 604 D HA 0.056 4.696 4.640 0.000 0.000 0.250 604 D C 0.940 177.173 176.300 -0.112 0.000 1.264 604 D CA -0.219 53.668 54.000 -0.188 0.000 0.911 604 D CB -0.144 40.613 40.800 -0.070 0.000 1.056 604 D HN 0.173 nan 8.370 nan 0.000 0.499 605 F N 2.466 122.435 119.950 0.031 0.000 2.161 605 F HA -0.242 4.285 4.527 0.000 0.000 0.300 605 F C 2.095 177.909 175.800 0.023 0.000 1.089 605 F CA 0.274 58.293 58.000 0.031 0.000 1.282 605 F CB -0.016 38.959 39.000 -0.043 0.000 1.010 605 F HN 0.399 nan 8.300 nan 0.000 0.485 606 I N 0.461 121.138 120.570 0.178 0.000 2.202 606 I HA -0.241 3.929 4.170 0.000 0.000 0.242 606 I C 2.095 178.269 176.117 0.094 0.000 1.091 606 I CA 1.496 62.862 61.300 0.111 0.000 1.368 606 I CB -0.750 37.292 38.000 0.070 0.000 1.058 606 I HN -0.022 nan 8.210 nan 0.000 0.410 607 K N -0.253 120.189 120.400 0.071 0.000 2.148 607 K HA -0.156 4.164 4.320 0.000 0.000 0.204 607 K C 2.043 178.690 176.600 0.078 0.000 1.050 607 K CA 1.042 57.363 56.287 0.057 0.000 0.942 607 K CB -0.365 32.153 32.500 0.030 0.000 0.724 607 K HN 0.163 nan 8.250 nan 0.000 0.446 608 L N 1.231 122.519 121.223 0.108 0.000 1.994 608 L HA -0.136 4.204 4.340 0.000 0.000 0.208 608 L C 2.241 179.204 176.870 0.156 0.000 1.071 608 L CA 1.894 56.819 54.840 0.142 0.000 0.745 608 L CB -0.763 41.432 42.059 0.227 0.000 0.892 608 L HN 0.107 nan 8.230 nan 0.000 0.431 609 A N -0.436 122.489 122.820 0.175 0.000 1.873 609 A HA -0.278 4.042 4.320 0.000 0.000 0.218 609 A C 2.123 179.775 177.584 0.115 0.000 1.193 609 A CA 2.127 54.256 52.037 0.154 0.000 0.629 609 A CB -0.846 18.237 19.000 0.138 0.000 0.826 609 A HN 0.667 nan 8.150 nan 0.000 0.447 610 E N -0.283 119.974 120.200 0.095 0.000 2.085 610 E HA -0.129 4.221 4.350 0.000 0.000 0.194 610 E C 2.253 178.896 176.600 0.071 0.000 0.994 610 E CA 0.973 57.418 56.400 0.075 0.000 0.801 610 E CB -0.337 29.401 29.700 0.062 0.000 0.743 610 E HN 0.635 nan 8.360 nan 0.000 0.453 611 A N 1.121 123.986 122.820 0.074 0.000 1.969 611 A HA -0.128 4.192 4.320 0.000 0.000 0.218 611 A C 2.098 179.726 177.584 0.073 0.000 1.169 611 A CA 1.082 53.160 52.037 0.067 0.000 0.635 611 A CB -0.182 18.856 19.000 0.064 0.000 0.810 611 A HN 0.113 nan 8.150 nan 0.000 0.445 612 M N -1.907 117.747 119.600 0.089 0.000 2.506 612 M HA 0.108 4.588 4.480 0.000 0.000 0.260 612 M C 1.464 177.815 176.300 0.084 0.000 1.104 612 M CA 1.235 56.590 55.300 0.091 0.000 1.112 612 M CB -0.488 32.180 32.600 0.114 0.000 1.401 612 M HN 0.779 nan 8.290 nan 0.000 0.473 613 G N 0.765 109.613 108.800 0.080 0.000 2.148 613 G HA2 -0.128 3.832 3.960 0.000 0.000 0.157 613 G HA3 -0.128 3.832 3.960 0.000 0.000 0.157 613 G C -0.401 174.543 174.900 0.075 0.000 1.012 613 G CA -0.401 44.742 45.100 0.072 0.000 0.677 613 G HN 0.315 nan 8.290 nan 0.000 0.506 614 L N -0.279 120.995 121.223 0.085 0.000 2.271 614 L HA 0.741 5.081 4.340 0.000 0.000 0.265 614 L C 0.535 177.455 176.870 0.083 0.000 1.013 614 L CA -1.302 53.590 54.840 0.087 0.000 0.820 614 L CB 0.971 43.093 42.059 0.105 0.000 1.352 614 L HN 0.137 nan 8.230 nan 0.000 0.443 615 K N -0.180 120.271 120.400 0.084 0.000 2.205 615 K HA 0.637 4.957 4.320 0.000 0.000 0.279 615 K C -0.411 176.245 176.600 0.094 0.000 1.027 615 K CA -0.278 56.058 56.287 0.081 0.000 0.932 615 K CB 0.855 33.402 32.500 0.079 0.000 1.032 615 K HN 0.818 nan 8.250 nan 0.000 0.466 616 G N 4.030 112.878 108.800 0.080 0.000 2.461 616 G HA2 0.609 4.569 3.960 0.000 0.000 0.323 616 G HA3 0.609 4.569 3.960 0.000 0.000 0.323 616 G C -1.267 173.668 174.900 0.057 0.000 1.229 616 G CA -0.725 44.419 45.100 0.074 0.000 0.941 616 G HN 0.534 nan 8.290 nan 0.000 0.477 617 L N 0.953 122.197 121.223 0.035 0.000 2.409 617 L HA 0.723 5.063 4.340 0.000 0.000 0.262 617 L C -0.063 176.789 176.870 -0.029 0.000 0.992 617 L CA -1.021 53.825 54.840 0.011 0.000 0.817 617 L CB 2.919 44.991 42.059 0.021 0.000 1.350 617 L HN 0.562 nan 8.230 nan 0.000 0.411 618 R N 1.093 121.579 120.500 -0.024 0.000 2.725 618 R HA 0.843 5.183 4.340 0.000 0.000 0.277 618 R C -2.050 174.227 176.300 -0.040 0.000 0.987 618 R CA -0.557 55.523 56.100 -0.033 0.000 0.901 618 R CB 2.575 32.874 30.300 -0.002 0.000 1.207 618 R HN 0.405 nan 8.270 nan 0.000 0.463 619 V N 4.185 124.068 119.914 -0.052 0.000 2.577 619 V HA 0.336 4.456 4.120 0.000 0.000 0.303 619 V C -0.018 176.054 176.094 -0.038 0.000 1.042 619 V CA -0.587 61.684 62.300 -0.048 0.000 0.872 619 V CB 1.899 33.681 31.823 -0.069 0.000 0.998 619 V HN 0.894 nan 8.190 nan 0.000 0.423 620 K N 2.239 122.622 120.400 -0.028 0.000 2.436 620 K HA 0.358 4.678 4.320 0.000 0.000 0.198 620 K C 0.116 176.701 176.600 -0.024 0.000 1.174 620 K CA 0.130 56.404 56.287 -0.022 0.000 0.951 620 K CB 0.853 33.344 32.500 -0.015 0.000 1.040 620 K HN 0.454 nan 8.250 nan 0.000 0.536 621 K N 0.863 121.248 120.400 -0.025 0.000 2.375 621 K HA 0.247 4.567 4.320 0.000 0.000 0.249 621 K C 0.260 176.843 176.600 -0.029 0.000 0.942 621 K CA -0.391 55.881 56.287 -0.025 0.000 0.806 621 K CB 2.053 34.542 32.500 -0.019 0.000 1.227 621 K HN -0.069 nan 8.250 nan 0.000 0.430 622 Q N 1.267 121.048 119.800 -0.031 0.000 2.173 622 Q HA -0.225 4.115 4.340 0.000 0.000 0.208 622 Q C 1.043 177.026 176.000 -0.028 0.000 0.989 622 Q CA 1.622 57.405 55.803 -0.033 0.000 0.872 622 Q CB 0.054 28.773 28.738 -0.032 0.000 0.909 622 Q HN 0.547 nan 8.270 nan 0.000 0.420 623 E N 0.882 121.068 120.200 -0.024 0.000 2.515 623 E HA -0.176 4.174 4.350 0.000 0.000 0.201 623 E C 0.842 177.431 176.600 -0.018 0.000 1.071 623 E CA 1.023 57.411 56.400 -0.020 0.000 0.880 623 E CB -0.068 29.622 29.700 -0.017 0.000 0.828 623 E HN 0.725 nan 8.360 nan 0.000 0.540 624 E N -0.146 120.042 120.200 -0.020 0.000 2.641 624 E HA 0.059 4.409 4.350 0.000 0.000 0.224 624 E C 1.709 178.296 176.600 -0.021 0.000 0.951 624 E CA -0.315 56.074 56.400 -0.017 0.000 1.102 624 E CB -0.286 29.404 29.700 -0.016 0.000 1.091 624 E HN 0.055 nan 8.360 nan 0.000 0.507 625 L N 2.524 123.730 121.223 -0.028 0.000 1.976 625 L HA -0.150 4.190 4.340 0.000 0.000 0.209 625 L C 1.719 178.575 176.870 -0.022 0.000 1.071 625 L CA 2.278 57.097 54.840 -0.035 0.000 0.746 625 L CB -0.470 41.562 42.059 -0.044 0.000 0.890 625 L HN 0.048 nan 8.230 nan 0.000 0.432 626 D N -0.119 120.270 120.400 -0.018 0.000 2.116 626 D HA -0.239 4.401 4.640 0.000 0.000 0.193 626 D C 2.083 178.385 176.300 0.004 0.000 0.998 626 D CA 1.767 55.761 54.000 -0.010 0.000 0.836 626 D CB -0.166 40.625 40.800 -0.015 0.000 0.951 626 D HN 0.542 nan 8.370 nan 0.000 0.449 627 A N 1.301 124.123 122.820 0.003 0.000 1.898 627 A HA -0.167 4.153 4.320 0.000 0.000 0.216 627 A C 2.106 179.707 177.584 0.028 0.000 1.181 627 A CA 1.254 53.299 52.037 0.013 0.000 0.620 627 A CB -0.178 18.826 19.000 0.008 0.000 0.819 627 A HN -0.002 nan 8.150 nan 0.000 0.442 628 K N -0.051 120.361 120.400 0.019 0.000 2.097 628 K HA 0.001 4.321 4.320 0.000 0.000 0.205 628 K C 1.900 178.545 176.600 0.075 0.000 1.050 628 K CA 0.938 57.243 56.287 0.030 0.000 0.938 628 K CB -0.709 31.782 32.500 -0.014 0.000 0.718 628 K HN 0.547 nan 8.250 nan 0.000 0.442 629 L N 1.004 122.263 121.223 0.061 0.000 2.046 629 L HA -0.210 4.130 4.340 0.000 0.000 0.208 629 L C 2.382 179.358 176.870 0.178 0.000 1.077 629 L CA 1.471 56.390 54.840 0.132 0.000 0.747 629 L CB -0.329 41.775 42.059 0.075 0.000 0.896 629 L HN 0.197 nan 8.230 nan 0.000 0.432 630 K N -0.252 120.207 120.400 0.099 0.000 2.057 630 K HA -0.229 4.091 4.320 0.000 0.000 0.206 630 K C 2.018 178.670 176.600 0.086 0.000 1.050 630 K CA 1.438 57.770 56.287 0.074 0.000 0.935 630 K CB -0.141 32.383 32.500 0.040 0.000 0.715 630 K HN 0.302 nan 8.250 nan 0.000 0.439 631 E N 0.550 120.809 120.200 0.098 0.000 2.077 631 E HA -0.206 4.144 4.350 0.000 0.000 0.193 631 E C 1.880 178.566 176.600 0.143 0.000 0.989 631 E CA 0.800 57.258 56.400 0.096 0.000 0.800 631 E CB -0.094 29.658 29.700 0.086 0.000 0.746 631 E HN 0.194 nan 8.360 nan 0.000 0.452 632 F N 1.248 121.206 119.950 0.015 0.000 2.043 632 F HA -0.249 4.278 4.527 0.000 0.000 0.297 632 F C 2.070 177.887 175.800 0.029 0.000 1.121 632 F CA 1.618 59.630 58.000 0.019 0.000 1.199 632 F CB -0.770 38.240 39.000 0.016 0.000 0.968 632 F HN -0.111 nan 8.300 nan 0.000 0.478 633 V N -0.381 119.489 119.914 -0.074 0.000 2.626 633 V HA -0.236 3.885 4.120 0.000 0.000 0.252 633 V C 2.298 178.330 176.094 -0.103 0.000 1.067 633 V CA 1.998 64.186 62.300 -0.186 0.000 1.081 633 V CB -0.757 31.047 31.823 -0.031 0.000 0.686 633 V HN 0.404 nan 8.190 nan 0.000 0.468 634 S N -1.419 114.262 115.700 -0.033 0.000 2.478 634 S HA -0.005 4.465 4.470 0.000 0.000 0.222 634 S C 1.061 175.652 174.600 -0.015 0.000 1.008 634 S CA 0.183 58.374 58.200 -0.014 0.000 0.928 634 S CB -0.079 63.127 63.200 0.010 0.000 0.781 634 S HN 0.596 nan 8.310 nan 0.000 0.518 635 T N 3.213 117.757 114.554 -0.018 0.000 2.908 635 T HA 0.063 4.413 4.350 0.000 0.000 0.301 635 T C 0.020 174.710 174.700 -0.017 0.000 1.019 635 T CA 0.429 62.527 62.100 -0.004 0.000 1.152 635 T CB 0.386 69.264 68.868 0.016 0.000 0.966 635 T HN 0.185 nan 8.240 nan 0.000 0.540 636 K N 2.075 122.476 120.400 0.001 0.000 2.234 636 K HA 0.498 4.818 4.320 0.000 0.000 0.282 636 K C 0.590 177.196 176.600 0.010 0.000 1.039 636 K CA 0.121 56.410 56.287 0.003 0.000 0.928 636 K CB 0.310 32.816 32.500 0.010 0.000 1.039 636 K HN 0.917 nan 8.250 nan 0.000 0.470 637 G N 3.681 112.487 108.800 0.010 0.000 2.661 637 G HA2 -0.149 3.812 3.960 0.000 0.000 0.685 637 G HA3 -0.149 3.812 3.960 0.000 0.000 0.685 637 G C -2.955 171.958 174.900 0.021 0.000 1.298 637 G CA -0.972 44.141 45.100 0.022 0.000 0.855 637 G HN 0.520 nan 8.290 nan 0.000 0.560 638 P HA 0.487 nan 4.420 nan 0.000 0.271 638 P C -0.388 176.952 177.300 0.067 0.000 1.216 638 P CA 0.006 63.137 63.100 0.052 0.000 0.776 638 P CB 1.832 33.576 31.700 0.073 0.000 0.881 639 V N 4.391 124.356 119.914 0.086 0.000 3.012 639 V HA 0.522 4.642 4.120 0.000 0.000 0.307 639 V C -1.545 174.700 176.094 0.252 0.000 1.166 639 V CA -1.104 61.285 62.300 0.148 0.000 0.974 639 V CB 2.283 34.195 31.823 0.148 0.000 1.040 639 V HN 0.483 nan 8.190 nan 0.000 0.428 640 L N 6.191 127.536 121.223 0.204 0.000 2.341 640 L HA 0.787 5.127 4.340 0.000 0.000 0.278 640 L C -1.594 175.285 176.870 0.015 0.000 1.005 640 L CA -0.776 54.134 54.840 0.117 0.000 0.818 640 L CB 1.631 43.700 42.059 0.017 0.000 1.259 640 L HN 0.772 nan 8.230 nan 0.000 0.418 641 L N 4.836 125.931 121.223 -0.212 0.000 2.343 641 L HA 0.492 4.832 4.340 0.000 0.000 0.278 641 L C -0.706 175.932 176.870 -0.387 0.000 0.996 641 L CA -0.010 54.592 54.840 -0.397 0.000 0.831 641 L CB 1.730 43.226 42.059 -0.939 0.000 1.232 641 L HN 0.711 nan 8.230 nan 0.000 0.413 642 E N 4.321 124.377 120.200 -0.241 0.000 2.197 642 E HA 0.539 4.889 4.350 0.000 0.000 0.281 642 E C -1.668 174.839 176.600 -0.155 0.000 0.995 642 E CA -0.724 55.552 56.400 -0.207 0.000 0.808 642 E CB 1.622 31.284 29.700 -0.064 0.000 1.093 642 E HN 0.549 nan 8.360 nan 0.000 0.394 643 V N 4.989 124.811 119.914 -0.153 0.000 2.350 643 V HA 0.161 4.281 4.120 0.000 0.000 0.285 643 V C -0.334 175.721 176.094 -0.066 0.000 1.014 643 V CA -0.728 61.505 62.300 -0.111 0.000 0.831 643 V CB 1.306 33.052 31.823 -0.128 0.000 1.000 643 V HN 0.771 nan 8.190 nan 0.000 0.433 644 E N 3.146 123.323 120.200 -0.039 0.000 2.328 644 E HA 0.278 4.628 4.350 0.000 0.000 0.265 644 E C -0.587 175.997 176.600 -0.027 0.000 1.057 644 E CA 0.079 56.469 56.400 -0.016 0.000 0.916 644 E CB 1.457 31.153 29.700 -0.007 0.000 0.993 644 E HN 0.409 nan 8.360 nan 0.000 0.446 645 V N 3.481 123.384 119.914 -0.017 0.000 2.919 645 V HA 0.069 4.189 4.120 0.000 0.000 0.316 645 V C 0.042 176.129 176.094 -0.011 0.000 1.077 645 V CA -0.844 61.438 62.300 -0.030 0.000 0.977 645 V CB 2.133 33.936 31.823 -0.034 0.000 1.039 645 V HN 0.727 nan 8.190 nan 0.000 0.441 646 D N 3.127 123.509 120.400 -0.030 0.000 2.488 646 D HA 0.122 4.762 4.640 0.000 0.000 0.238 646 D C 0.254 176.569 176.300 0.026 0.000 1.138 646 D CA 0.383 54.376 54.000 -0.011 0.000 0.873 646 D CB 1.074 41.855 40.800 -0.032 0.000 1.183 646 D HN 0.774 nan 8.370 nan 0.000 0.458 647 K N 2.448 122.870 120.400 0.036 0.000 2.580 647 K HA 0.222 4.542 4.320 0.000 0.000 0.278 647 K C 0.787 177.445 176.600 0.097 0.000 0.960 647 K CA 0.851 57.173 56.287 0.059 0.000 0.988 647 K CB -0.507 32.017 32.500 0.040 0.000 0.887 647 K HN 0.811 nan 8.250 nan 0.000 0.509 648 K N 0.000 120.473 120.400 0.122 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.393 56.287 0.177 0.000 0.838 648 K CB 0.000 32.584 32.500 0.139 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543