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 2ahu_1_B DATA FIRST_RESID 4 DATA SEQUENCE VKPPRINGRV PVLSAQEAVN YIPDEATLCV LGAGGGILEA TTLITALADK DATA SEQUENCE YKQTQTPRNL SIISPTGLGD RADRGISPLA QEGLVKWALC GHWGQSPRIS DATA SEQUENCE DLAEQNKIIA YNYPQGVLTQ TLRAAAAHQP GIISDIGIGT FVDPRQQGGK DATA SEQUENCE LNEVTKEDLI KLVEFDNKEY LYYKAIAPDI AFIRATTCDS EGYATFEDEV DATA SEQUENCE XYLDALVIAQ AVHNNGGIVX XQVQKXVKKA TLHPKSVRIP GYLVDIVVVD DATA SEQUENCE PDQSQLYGGA PVNRFISGDF TLDXXXXXXL PLNQRKLVAR RALFEXRKGA DATA SEQUENCE VGNVGVGIAD GIGLVAREEG CADDFILTVE TGPIGGITSX XXXXGANVNT DATA SEQUENCE RAILDXTSQF DFYHGGGLDV CYLSFAEVDQ HGNVGVHKFN GKIXGTGGFI DATA SEQUENCE DISATSKKII FCGTLTAGSL KTEIADGKLN IVQEGRVKKF IRELPEITFS DATA SEQUENCE GKIALERGLD VRYITERAVF TLKEDGLHLI EIAPGVDLQK DILDKXDFTP DATA SEQUENCE VISPELKLXD ERLFIDAAXG FVLPEA 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.210 176.094 0.193 0.000 1.182 4 V CA 0.000 62.386 62.300 0.143 0.000 1.235 4 V CB 0.000 31.920 31.823 0.161 0.000 1.184 5 K N 4.716 125.159 120.400 0.072 0.000 2.318 5 K HA 0.736 5.056 4.320 -0.000 0.000 0.249 5 K C -2.764 173.777 176.600 -0.098 0.000 0.942 5 K CA -1.888 54.341 56.287 -0.097 0.000 0.808 5 K CB 2.445 34.895 32.500 -0.084 0.000 1.189 5 K HN 0.369 nan 8.250 nan 0.000 0.428 6 P HA 0.085 nan 4.420 nan 0.000 0.268 6 P C -2.438 174.832 177.300 -0.050 0.000 1.204 6 P CA -0.902 62.137 63.100 -0.103 0.000 0.768 6 P CB -0.298 31.294 31.700 -0.179 0.000 0.842 7 P HA 0.209 nan 4.420 nan 0.000 0.275 7 P C -0.233 177.070 177.300 0.004 0.000 1.228 7 P CA -0.200 62.904 63.100 0.008 0.000 0.786 7 P CB 0.942 32.656 31.700 0.022 0.000 0.927 8 R N 1.981 122.486 120.500 0.010 0.000 2.340 8 R HA 0.417 4.757 4.340 -0.000 0.000 0.300 8 R C 0.101 176.412 176.300 0.018 0.000 1.069 8 R CA -0.494 55.614 56.100 0.014 0.000 0.984 8 R CB 0.200 30.513 30.300 0.022 0.000 1.003 8 R HN 0.477 nan 8.270 nan 0.000 0.459 9 I N 3.740 124.320 120.570 0.017 0.000 2.312 9 I HA 0.056 4.225 4.170 -0.000 0.000 0.290 9 I C -0.014 176.115 176.117 0.019 0.000 1.008 9 I CA -0.453 60.858 61.300 0.018 0.000 1.226 9 I CB 1.009 39.018 38.000 0.016 0.000 1.371 9 I HN 0.670 nan 8.210 nan 0.000 0.468 10 N N 5.346 124.058 118.700 0.020 0.000 2.727 10 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 10 N C 0.996 176.522 175.510 0.027 0.000 1.048 10 N CA 1.153 54.215 53.050 0.021 0.000 0.714 10 N CB -1.109 37.388 38.487 0.017 0.000 0.959 10 N HN 1.174 nan 8.380 nan 0.000 0.544 11 G N -0.997 107.823 108.800 0.033 0.000 2.184 11 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.264 11 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.264 11 G C 0.204 175.134 174.900 0.049 0.000 0.975 11 G CA 0.711 45.839 45.100 0.046 0.000 0.642 11 G HN 0.597 nan 8.290 nan 0.000 0.536 12 R N -0.059 120.462 120.500 0.035 0.000 2.390 12 R HA 0.478 4.818 4.340 -0.000 0.000 0.291 12 R C 0.521 176.835 176.300 0.022 0.000 1.070 12 R CA -0.298 55.821 56.100 0.031 0.000 1.014 12 R CB 1.847 32.160 30.300 0.022 0.000 1.007 12 R HN 0.188 nan 8.270 nan 0.000 0.466 13 V N 5.414 125.339 119.914 0.018 0.000 2.585 13 V HA 0.093 4.212 4.120 -0.000 0.000 0.296 13 V C -1.981 174.107 176.094 -0.009 0.000 1.035 13 V CA -1.709 60.591 62.300 -0.000 0.000 1.084 13 V CB 0.815 32.630 31.823 -0.012 0.000 0.953 13 V HN 0.626 nan 8.190 nan 0.000 0.483 14 P HA 0.101 nan 4.420 nan 0.000 0.263 14 P C -1.025 176.260 177.300 -0.026 0.000 1.195 14 P CA 0.260 63.344 63.100 -0.026 0.000 0.762 14 P CB 0.408 32.075 31.700 -0.055 0.000 0.799 15 V N 5.807 125.714 119.914 -0.012 0.000 2.370 15 V HA 0.405 4.525 4.120 -0.000 0.000 0.283 15 V C 0.318 176.412 176.094 -0.001 0.000 1.023 15 V CA -0.294 61.999 62.300 -0.011 0.000 0.857 15 V CB 0.965 32.784 31.823 -0.007 0.000 0.985 15 V HN 0.405 nan 8.190 nan 0.000 0.443 16 L N 3.144 124.366 121.223 -0.001 0.000 2.327 16 L HA 0.627 4.967 4.340 -0.000 0.000 0.258 16 L C 0.464 177.340 176.870 0.010 0.000 1.024 16 L CA -0.653 54.198 54.840 0.018 0.000 0.825 16 L CB 2.728 44.811 42.059 0.041 0.000 1.386 16 L HN 0.730 nan 8.230 nan 0.000 0.417 17 S N 0.172 115.883 115.700 0.018 0.000 2.593 17 S HA 0.273 4.743 4.470 -0.000 0.000 0.269 17 S C 1.042 175.644 174.600 0.003 0.000 1.334 17 S CA 0.056 58.260 58.200 0.007 0.000 1.015 17 S CB 1.515 64.722 63.200 0.011 0.000 0.912 17 S HN 0.731 nan 8.310 nan 0.000 0.541 18 A N 1.453 124.261 122.820 -0.019 0.000 1.940 18 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 18 A C 2.240 179.819 177.584 -0.009 0.000 1.176 18 A CA 1.884 53.895 52.037 -0.042 0.000 0.631 18 A CB -1.181 17.777 19.000 -0.070 0.000 0.814 18 A HN 0.851 nan 8.150 nan 0.000 0.446 19 Q N -0.015 119.790 119.800 0.007 0.000 2.061 19 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 19 Q C 1.921 177.948 176.000 0.045 0.000 0.984 19 Q CA 2.044 57.862 55.803 0.024 0.000 0.846 19 Q CB -0.345 28.404 28.738 0.018 0.000 0.902 19 Q HN 0.812 nan 8.270 nan 0.000 0.421 20 E N 0.045 120.279 120.200 0.056 0.000 2.072 20 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 20 E C 1.947 178.658 176.600 0.186 0.000 0.985 20 E CA 0.823 57.280 56.400 0.096 0.000 0.801 20 E CB -0.216 29.546 29.700 0.103 0.000 0.750 20 E HN 0.386 nan 8.360 nan 0.000 0.452 21 A N 1.342 124.255 122.820 0.154 0.000 1.865 21 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 21 A C 2.557 180.294 177.584 0.256 0.000 1.191 21 A CA 1.988 54.140 52.037 0.193 0.000 0.623 21 A CB -1.043 17.991 19.000 0.057 0.000 0.826 21 A HN 0.252 nan 8.150 nan 0.000 0.444 22 V N -2.004 118.006 119.914 0.161 0.000 2.970 22 V HA -0.131 3.989 4.120 -0.000 0.000 0.260 22 V C 1.556 177.746 176.094 0.159 0.000 1.100 22 V CA 1.956 64.370 62.300 0.189 0.000 1.122 22 V CB -1.229 30.690 31.823 0.159 0.000 0.721 22 V HN 0.412 nan 8.190 nan 0.000 0.483 23 N N 0.489 119.249 118.700 0.100 0.000 2.430 23 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 23 N C 1.312 176.766 175.510 -0.094 0.000 1.032 23 N CA 1.620 54.655 53.050 -0.026 0.000 0.893 23 N CB -0.586 37.825 38.487 -0.127 0.000 0.957 23 N HN 0.730 nan 8.380 nan 0.000 0.442 24 Y N 0.269 120.607 120.300 0.063 0.000 2.529 24 Y HA 0.240 4.790 4.550 -0.000 0.000 0.290 24 Y C 0.559 176.497 175.900 0.063 0.000 1.177 24 Y CA -0.151 57.984 58.100 0.057 0.000 1.305 24 Y CB 0.073 38.567 38.460 0.057 0.000 1.047 24 Y HN -0.072 nan 8.280 nan 0.000 0.522 25 I N 4.057 124.735 120.570 0.181 0.000 2.337 25 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 25 I C -2.057 174.109 176.117 0.083 0.000 1.046 25 I CA -2.004 59.375 61.300 0.132 0.000 1.324 25 I CB 0.757 38.841 38.000 0.140 0.000 1.409 25 I HN -0.096 nan 8.210 nan 0.000 0.494 26 P HA 0.222 nan 4.420 nan 0.000 0.281 26 P C -0.982 176.340 177.300 0.037 0.000 1.264 26 P CA -0.606 62.519 63.100 0.042 0.000 0.824 26 P CB 0.726 32.446 31.700 0.034 0.000 1.092 27 D N 0.835 121.256 120.400 0.035 0.000 2.449 27 D HA -0.042 4.598 4.640 -0.000 0.000 0.236 27 D C 0.938 177.248 176.300 0.016 0.000 1.149 27 D CA 0.765 54.786 54.000 0.036 0.000 0.878 27 D CB 0.002 40.824 40.800 0.036 0.000 1.198 27 D HN 0.478 nan 8.370 nan 0.000 0.446 28 E N -1.805 118.402 120.200 0.011 0.000 3.673 28 E HA -0.264 4.086 4.350 -0.000 0.000 0.309 28 E C -0.063 176.514 176.600 -0.038 0.000 0.819 28 E CA 0.738 57.130 56.400 -0.014 0.000 1.111 28 E CB -1.372 28.317 29.700 -0.020 0.000 1.561 28 E HN 0.569 nan 8.360 nan 0.000 0.450 29 A N 1.168 123.973 122.820 -0.025 0.000 2.520 29 A HA 0.232 4.552 4.320 -0.000 0.000 0.235 29 A C 0.560 178.104 177.584 -0.066 0.000 1.065 29 A CA 0.769 52.782 52.037 -0.039 0.000 0.764 29 A CB 0.324 19.312 19.000 -0.019 0.000 1.002 29 A HN 0.111 nan 8.150 nan 0.000 0.502 30 T N 2.711 117.214 114.554 -0.086 0.000 2.733 30 T HA 0.431 4.780 4.350 -0.000 0.000 0.294 30 T C -0.388 174.259 174.700 -0.089 0.000 0.956 30 T CA -0.026 62.015 62.100 -0.097 0.000 0.987 30 T CB 0.336 69.122 68.868 -0.137 0.000 0.920 30 T HN 0.539 nan 8.240 nan 0.000 0.470 31 L N 4.261 125.423 121.223 -0.102 0.000 2.296 31 L HA 0.653 4.993 4.340 -0.000 0.000 0.286 31 L C -0.616 176.162 176.870 -0.154 0.000 1.023 31 L CA -0.620 54.106 54.840 -0.189 0.000 0.812 31 L CB 0.951 42.832 42.059 -0.297 0.000 1.223 31 L HN 0.768 nan 8.230 nan 0.000 0.421 32 C N 5.737 124.947 119.300 -0.149 0.000 2.322 32 C HA 0.784 5.244 4.460 -0.000 0.000 0.324 32 C C -0.438 174.500 174.990 -0.087 0.000 1.284 32 C CA -0.483 58.486 59.018 -0.082 0.000 1.606 32 C CB 0.504 28.228 27.740 -0.027 0.000 2.251 32 C HN 0.657 nan 8.230 nan 0.000 0.502 33 V N 7.608 127.494 119.914 -0.047 0.000 2.384 33 V HA 0.360 4.480 4.120 -0.000 0.000 0.287 33 V C 0.033 176.169 176.094 0.070 0.000 1.020 33 V CA -0.517 61.800 62.300 0.028 0.000 0.850 33 V CB 1.276 33.117 31.823 0.031 0.000 0.987 33 V HN 0.817 nan 8.190 nan 0.000 0.436 34 L N 4.807 126.099 121.223 0.115 0.000 2.417 34 L HA 0.866 5.206 4.340 -0.000 0.000 0.268 34 L C 0.502 177.432 176.870 0.100 0.000 1.158 34 L CA 1.355 56.259 54.840 0.107 0.000 0.819 34 L CB 0.975 43.112 42.059 0.131 0.000 1.112 34 L HN 0.949 nan 8.230 nan 0.000 0.458 35 G N 2.377 111.226 108.800 0.083 0.000 2.321 35 G HA2 0.556 4.516 3.960 -0.000 0.000 0.339 35 G HA3 0.556 4.516 3.960 -0.000 0.000 0.339 35 G C -1.799 173.133 174.900 0.053 0.000 1.518 35 G CA -0.269 44.869 45.100 0.062 0.000 0.994 35 G HN 1.053 nan 8.290 nan 0.000 0.668 36 A N -0.616 122.221 122.820 0.029 0.000 2.470 36 A HA 1.035 5.355 4.320 -0.000 0.000 0.271 36 A C 0.835 178.422 177.584 0.005 0.000 1.269 36 A CA 0.262 52.322 52.037 0.038 0.000 0.828 36 A CB 0.834 19.856 19.000 0.038 0.000 1.374 36 A HN 2.419 nan 8.150 nan 0.000 0.454 37 G N -1.586 107.232 108.800 0.031 0.000 2.554 37 G HA2 0.497 4.457 3.960 -0.000 0.000 0.238 37 G HA3 0.497 4.457 3.960 -0.000 0.000 0.238 37 G C 1.145 175.994 174.900 -0.085 0.000 1.259 37 G CA 0.648 45.761 45.100 0.023 0.000 0.843 37 G HN 2.361 nan 8.290 nan 0.000 0.582 38 G N -0.620 108.107 108.800 -0.122 0.000 2.179 38 G HA2 0.198 4.157 3.960 -0.000 0.000 0.257 38 G HA3 0.198 4.157 3.960 -0.000 0.000 0.257 38 G C 1.401 175.798 174.900 -0.839 0.000 1.010 38 G CA 1.020 45.961 45.100 -0.264 0.000 0.736 38 G HN 2.629 nan 8.290 nan 0.000 0.513 39 G N -1.361 106.707 108.800 -1.221 0.000 2.175 39 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 39 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 39 G C 0.468 175.143 174.900 -0.375 0.000 0.982 39 G CA 0.181 44.610 45.100 -1.120 0.000 0.641 39 G HN 1.354 nan 8.290 nan 0.000 0.527 40 I N 1.471 121.894 120.570 -0.245 0.000 2.662 40 I HA 0.169 4.339 4.170 -0.000 0.000 0.285 40 I C 1.827 177.921 176.117 -0.038 0.000 1.161 40 I CA 0.269 61.509 61.300 -0.101 0.000 1.415 40 I CB 0.473 38.435 38.000 -0.063 0.000 1.385 40 I HN 0.269 nan 8.210 nan 0.000 0.552 41 L N 4.559 125.783 121.223 0.002 0.000 3.976 41 L HA -0.244 4.096 4.340 -0.000 0.000 0.418 41 L C 0.648 177.551 176.870 0.054 0.000 1.177 41 L CA 0.545 55.419 54.840 0.057 0.000 0.968 41 L CB -1.038 41.094 42.059 0.120 0.000 1.933 41 L HN 0.717 nan 8.230 nan 0.000 0.976 42 E N 0.695 120.909 120.200 0.023 0.000 2.200 42 E HA 0.454 4.804 4.350 -0.000 0.000 0.283 42 E C 0.538 177.173 176.600 0.059 0.000 1.015 42 E CA 0.214 56.647 56.400 0.055 0.000 0.819 42 E CB 1.266 30.997 29.700 0.051 0.000 1.081 42 E HN 0.283 nan 8.360 nan 0.000 0.397 43 A N 4.514 127.374 122.820 0.067 0.000 3.048 43 A HA 0.087 4.407 4.320 -0.000 0.000 0.264 43 A C 1.092 178.670 177.584 -0.010 0.000 1.796 43 A CA -0.185 51.857 52.037 0.009 0.000 1.445 43 A CB -0.490 18.499 19.000 -0.019 0.000 1.074 43 A HN 0.785 nan 8.150 nan 0.000 0.621 44 T N 0.465 115.039 114.554 0.034 0.000 2.759 44 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 44 T C 2.308 177.003 174.700 -0.008 0.000 1.042 44 T CA 2.318 64.451 62.100 0.055 0.000 1.140 44 T CB -0.366 68.567 68.868 0.108 0.000 0.864 44 T HN 0.894 nan 8.240 nan 0.000 0.455 45 T N 0.902 115.429 114.554 -0.045 0.000 2.833 45 T HA 0.047 4.396 4.350 -0.000 0.000 0.269 45 T C 1.979 176.598 174.700 -0.135 0.000 1.054 45 T CA 0.743 62.802 62.100 -0.068 0.000 1.135 45 T CB -0.604 68.228 68.868 -0.061 0.000 0.869 45 T HN 0.305 nan 8.240 nan 0.000 0.466 46 L N -0.145 120.918 121.223 -0.266 0.000 2.095 46 L HA 0.194 4.534 4.340 -0.000 0.000 0.204 46 L C 2.744 179.377 176.870 -0.395 0.000 1.080 46 L CA 0.904 55.406 54.840 -0.563 0.000 0.759 46 L CB -0.408 40.929 42.059 -1.203 0.000 0.914 46 L HN 0.227 nan 8.230 nan 0.000 0.439 47 I N -0.597 119.895 120.570 -0.129 0.000 2.226 47 I HA -0.270 3.899 4.170 -0.000 0.000 0.245 47 I C 2.488 178.660 176.117 0.091 0.000 1.100 47 I CA 1.431 62.822 61.300 0.151 0.000 1.374 47 I CB -0.531 37.574 38.000 0.175 0.000 1.057 47 I HN 0.229 nan 8.210 nan 0.000 0.413 48 T N 0.766 115.337 114.554 0.030 0.000 2.708 48 T HA -0.163 4.186 4.350 -0.000 0.000 0.266 48 T C 2.080 176.799 174.700 0.032 0.000 1.037 48 T CA 1.554 63.670 62.100 0.028 0.000 1.146 48 T CB -0.326 68.547 68.868 0.008 0.000 0.865 48 T HN 0.480 nan 8.240 nan 0.000 0.435 49 A N 1.135 123.958 122.820 0.005 0.000 1.902 49 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 49 A C 2.238 179.862 177.584 0.068 0.000 1.181 49 A CA 1.323 53.371 52.037 0.019 0.000 0.623 49 A CB -0.778 18.213 19.000 -0.016 0.000 0.818 49 A HN 0.407 nan 8.150 nan 0.000 0.443 50 L N -0.223 121.064 121.223 0.107 0.000 2.027 50 L HA -0.026 4.314 4.340 -0.000 0.000 0.206 50 L C 2.693 179.658 176.870 0.158 0.000 1.074 50 L CA 2.235 57.180 54.840 0.174 0.000 0.745 50 L CB -0.951 41.283 42.059 0.292 0.000 0.898 50 L HN 0.338 nan 8.230 nan 0.000 0.433 51 A N -0.648 122.251 122.820 0.132 0.000 1.917 51 A HA -0.265 4.054 4.320 -0.000 0.000 0.219 51 A C 2.016 179.679 177.584 0.131 0.000 1.182 51 A CA 2.100 54.210 52.037 0.122 0.000 0.633 51 A CB -0.984 18.068 19.000 0.087 0.000 0.819 51 A HN 0.559 nan 8.150 nan 0.000 0.448 52 D N -0.635 119.822 120.400 0.095 0.000 2.097 52 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 52 D C 1.906 178.254 176.300 0.080 0.000 0.989 52 D CA 1.583 55.627 54.000 0.074 0.000 0.827 52 D CB -0.286 40.543 40.800 0.048 0.000 0.966 52 D HN 0.601 nan 8.370 nan 0.000 0.456 53 K N -0.475 119.982 120.400 0.094 0.000 2.032 53 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 53 K C 2.271 178.928 176.600 0.095 0.000 1.048 53 K CA 1.031 57.369 56.287 0.085 0.000 0.927 53 K CB -0.279 32.280 32.500 0.098 0.000 0.712 53 K HN 0.150 nan 8.250 nan 0.000 0.441 54 Y N 1.398 121.720 120.300 0.037 0.000 2.200 54 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 54 Y C 2.303 178.219 175.900 0.026 0.000 1.137 54 Y CA 1.922 60.042 58.100 0.033 0.000 1.163 54 Y CB 0.036 38.521 38.460 0.041 0.000 0.988 54 Y HN 0.015 nan 8.280 nan 0.000 0.518 55 K N -0.092 120.385 120.400 0.129 0.000 2.103 55 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 55 K C 1.916 178.496 176.600 -0.033 0.000 1.048 55 K CA 2.167 58.486 56.287 0.053 0.000 0.930 55 K CB -0.068 32.477 32.500 0.075 0.000 0.716 55 K HN 0.485 nan 8.250 nan 0.000 0.444 56 Q N -1.329 118.452 119.800 -0.031 0.000 2.163 56 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 56 Q C 1.590 177.541 176.000 -0.081 0.000 0.954 56 Q CA 1.619 57.397 55.803 -0.042 0.000 0.851 56 Q CB 0.582 29.310 28.738 -0.016 0.000 0.928 56 Q HN 0.457 nan 8.270 nan 0.000 0.459 57 T N -4.076 110.404 114.554 -0.123 0.000 2.975 57 T HA 0.054 4.404 4.350 -0.000 0.000 0.261 57 T C 0.150 174.713 174.700 -0.228 0.000 0.984 57 T CA -0.228 61.794 62.100 -0.130 0.000 0.911 57 T CB 0.624 69.449 68.868 -0.071 0.000 1.127 57 T HN -0.011 nan 8.240 nan 0.000 0.514 58 Q N 1.672 121.187 119.800 -0.475 0.000 2.494 58 Q HA -0.142 4.198 4.340 -0.000 0.000 0.266 58 Q C 0.122 175.864 176.000 -0.430 0.000 1.053 58 Q CA 1.636 56.933 55.803 -0.843 0.000 1.029 58 Q CB -3.282 25.181 28.738 -0.459 0.000 1.423 58 Q HN 0.975 nan 8.270 nan 0.000 0.516 59 T N -3.351 111.108 114.554 -0.159 0.000 2.903 59 T HA 0.796 5.146 4.350 -0.000 0.000 0.299 59 T C -2.912 171.931 174.700 0.238 0.000 1.093 59 T CA -1.923 60.242 62.100 0.110 0.000 1.002 59 T CB 3.796 72.687 68.868 0.038 0.000 1.127 59 T HN -0.130 nan 8.240 nan 0.000 0.488 60 P HA 0.449 nan 4.420 nan 0.000 0.276 60 P C -0.794 176.648 177.300 0.236 0.000 1.252 60 P CA -0.701 62.505 63.100 0.177 0.000 0.802 60 P CB 0.946 32.715 31.700 0.115 0.000 1.035 61 R N 0.744 121.342 120.500 0.162 0.000 2.732 61 R HA 0.336 4.676 4.340 -0.000 0.000 0.278 61 R C 0.019 176.365 176.300 0.077 0.000 0.976 61 R CA -0.619 55.578 56.100 0.161 0.000 0.963 61 R CB 0.458 30.843 30.300 0.143 0.000 1.150 61 R HN 0.444 nan 8.270 nan 0.000 0.478 62 N N 1.046 119.779 118.700 0.055 0.000 2.738 62 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 62 N C -1.028 174.500 175.510 0.029 0.000 1.047 62 N CA 0.591 53.667 53.050 0.043 0.000 0.707 62 N CB -0.874 37.642 38.487 0.048 0.000 0.937 62 N HN 0.262 nan 8.380 nan 0.000 0.545 63 L N 0.185 121.416 121.223 0.013 0.000 2.452 63 L HA 0.236 4.575 4.340 -0.000 0.000 0.267 63 L C 0.923 177.825 176.870 0.054 0.000 1.188 63 L CA 0.305 55.149 54.840 0.007 0.000 0.821 63 L CB 0.837 42.885 42.059 -0.019 0.000 1.102 63 L HN 0.087 nan 8.230 nan 0.000 0.470 64 S N 3.057 118.783 115.700 0.044 0.000 2.451 64 S HA 0.628 5.097 4.470 -0.000 0.000 0.301 64 S C -0.375 174.321 174.600 0.159 0.000 1.116 64 S CA -0.531 57.772 58.200 0.170 0.000 1.093 64 S CB 1.170 64.328 63.200 -0.070 0.000 1.017 64 S HN 0.230 nan 8.310 nan 0.000 0.482 65 I N 3.585 124.305 120.570 0.250 0.000 2.412 65 I HA 0.470 4.640 4.170 -0.000 0.000 0.296 65 I C -0.270 175.933 176.117 0.144 0.000 0.987 65 I CA -0.694 60.664 61.300 0.098 0.000 1.180 65 I CB 1.197 39.195 38.000 -0.003 0.000 1.340 65 I HN 0.557 nan 8.210 nan 0.000 0.455 66 I N 4.100 124.704 120.570 0.057 0.000 2.389 66 I HA 0.271 4.440 4.170 -0.000 0.000 0.288 66 I C 0.075 176.168 176.117 -0.040 0.000 0.999 66 I CA -0.325 60.994 61.300 0.032 0.000 1.129 66 I CB 1.919 39.955 38.000 0.060 0.000 1.288 66 I HN 0.457 nan 8.210 nan 0.000 0.444 67 S N 7.443 123.092 115.700 -0.085 0.000 2.653 67 S HA 0.414 4.884 4.470 -0.000 0.000 0.272 67 S C -1.886 172.679 174.600 -0.057 0.000 1.221 67 S CA -1.458 56.690 58.200 -0.087 0.000 1.149 67 S CB 0.975 64.076 63.200 -0.165 0.000 1.029 67 S HN 0.312 nan 8.310 nan 0.000 0.481 68 P HA -0.024 nan 4.420 nan 0.000 0.215 68 P C 0.222 177.549 177.300 0.046 0.000 1.157 68 P CA 1.205 64.314 63.100 0.016 0.000 0.868 68 P CB 0.106 31.825 31.700 0.033 0.000 0.788 69 T N -1.333 113.258 114.554 0.062 0.000 2.950 69 T HA 0.566 4.916 4.350 -0.000 0.000 0.288 69 T C 0.364 175.121 174.700 0.095 0.000 1.035 69 T CA -0.646 61.518 62.100 0.106 0.000 1.028 69 T CB 1.485 70.420 68.868 0.113 0.000 1.109 69 T HN -0.096 nan 8.240 nan 0.000 0.514 70 G N 1.307 110.214 108.800 0.180 0.000 2.360 70 G HA2 0.486 4.446 3.960 -0.000 0.000 0.279 70 G HA3 0.486 4.446 3.960 -0.000 0.000 0.279 70 G C -0.593 174.373 174.900 0.111 0.000 1.189 70 G CA -0.303 44.889 45.100 0.153 0.000 0.941 70 G HN 0.454 nan 8.290 nan 0.000 0.445 71 L N 2.189 123.444 121.223 0.054 0.000 2.357 71 L HA 0.814 5.154 4.340 -0.000 0.000 0.273 71 L C 0.975 177.908 176.870 0.104 0.000 1.080 71 L CA 1.102 55.986 54.840 0.073 0.000 0.803 71 L CB 1.418 43.522 42.059 0.074 0.000 1.174 71 L HN 1.016 nan 8.230 nan 0.000 0.443 72 G N 1.485 110.387 108.800 0.170 0.000 2.318 72 G HA2 0.022 3.981 3.960 -0.000 0.000 0.367 72 G HA3 0.022 3.981 3.960 -0.000 0.000 0.367 72 G C -0.985 174.098 174.900 0.304 0.000 1.260 72 G CA -0.026 45.235 45.100 0.268 0.000 1.055 72 G HN 0.744 nan 8.290 nan 0.000 0.484 73 D N -0.937 119.608 120.400 0.242 0.000 2.650 73 D HA 0.245 4.884 4.640 -0.000 0.000 0.265 73 D C 0.916 177.284 176.300 0.113 0.000 1.339 73 D CA -0.178 53.941 54.000 0.199 0.000 0.816 73 D CB -0.144 40.765 40.800 0.181 0.000 1.091 73 D HN 0.898 nan 8.370 nan 0.000 0.483 74 R N -0.876 119.682 120.500 0.097 0.000 3.758 74 R HA -0.153 4.186 4.340 -0.000 0.000 0.299 74 R C 0.308 176.639 176.300 0.050 0.000 1.182 74 R CA 1.003 57.144 56.100 0.068 0.000 0.809 74 R CB -2.107 28.237 30.300 0.074 0.000 1.249 74 R HN 0.485 nan 8.270 nan 0.000 0.497 75 A N -0.547 122.300 122.820 0.045 0.000 3.508 75 A HA 0.348 4.668 4.320 -0.000 0.000 0.169 75 A C -0.240 177.354 177.584 0.016 0.000 0.817 75 A CA -0.353 51.700 52.037 0.026 0.000 1.256 75 A CB 0.363 19.373 19.000 0.017 0.000 2.053 75 A HN 0.055 nan 8.150 nan 0.000 0.825 76 D N 0.618 121.016 120.400 -0.003 0.000 2.340 76 D HA 0.187 4.827 4.640 -0.000 0.000 0.217 76 D C 0.718 177.003 176.300 -0.026 0.000 1.081 76 D CA 0.164 54.158 54.000 -0.010 0.000 0.842 76 D CB 0.334 41.126 40.800 -0.013 0.000 0.934 76 D HN 0.278 nan 8.370 nan 0.000 0.511 77 R N -0.082 120.394 120.500 -0.040 0.000 2.523 77 R HA 0.498 4.838 4.340 -0.000 0.000 0.223 77 R C 1.211 177.545 176.300 0.057 0.000 1.280 77 R CA -0.143 55.918 56.100 -0.066 0.000 1.047 77 R CB -0.068 30.050 30.300 -0.303 0.000 1.650 77 R HN 0.012 nan 8.270 nan 0.000 0.545 78 G N 1.043 109.943 108.800 0.168 0.000 2.556 78 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.283 78 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.283 78 G C 0.636 175.599 174.900 0.105 0.000 1.177 78 G CA 0.504 45.711 45.100 0.177 0.000 0.978 78 G HN 0.721 nan 8.290 nan 0.000 0.554 79 I N -1.713 118.893 120.570 0.060 0.000 3.875 79 I HA 0.415 4.585 4.170 -0.000 0.000 0.329 79 I C 2.072 178.200 176.117 0.018 0.000 1.295 79 I CA 1.060 62.382 61.300 0.037 0.000 1.129 79 I CB 0.431 38.431 38.000 -0.001 0.000 1.008 79 I HN 0.232 nan 8.210 nan 0.000 0.413 80 S N 2.548 118.261 115.700 0.022 0.000 2.387 80 S HA -0.067 4.403 4.470 -0.000 0.000 0.230 80 S C -0.418 174.193 174.600 0.019 0.000 1.035 80 S CA 1.751 59.962 58.200 0.018 0.000 1.014 80 S CB -1.149 62.063 63.200 0.019 0.000 0.836 80 S HN 0.444 nan 8.310 nan 0.000 0.466 81 P HA -0.027 nan 4.420 nan 0.000 0.223 81 P C 0.758 178.076 177.300 0.029 0.000 1.144 81 P CA 0.867 63.986 63.100 0.032 0.000 0.783 81 P CB -0.118 31.606 31.700 0.040 0.000 0.771 82 L N -2.032 119.202 121.223 0.017 0.000 2.592 82 L HA 0.182 4.522 4.340 -0.000 0.000 0.227 82 L C 1.573 178.414 176.870 -0.048 0.000 1.127 82 L CA 0.014 54.845 54.840 -0.014 0.000 0.884 82 L CB -0.465 41.590 42.059 -0.006 0.000 1.065 82 L HN -0.108 nan 8.230 nan 0.000 0.457 83 A N -0.009 122.799 122.820 -0.019 0.000 2.503 83 A HA 0.144 4.463 4.320 -0.000 0.000 0.263 83 A C 0.493 178.069 177.584 -0.014 0.000 1.360 83 A CA -0.256 51.773 52.037 -0.013 0.000 0.969 83 A CB -0.511 18.496 19.000 0.012 0.000 1.000 83 A HN 0.375 nan 8.150 nan 0.000 0.530 84 Q N 0.987 120.759 119.800 -0.047 0.000 2.286 84 Q HA 0.199 4.539 4.340 -0.000 0.000 0.257 84 Q C -0.575 175.394 176.000 -0.052 0.000 0.941 84 Q CA -0.163 55.634 55.803 -0.010 0.000 0.912 84 Q CB 0.970 29.739 28.738 0.052 0.000 1.192 84 Q HN 0.531 nan 8.270 nan 0.000 0.410 85 E N 0.609 120.836 120.200 0.044 0.000 2.415 85 E HA 0.070 4.419 4.350 -0.000 0.000 0.263 85 E C 0.724 177.376 176.600 0.088 0.000 0.995 85 E CA 0.768 57.197 56.400 0.047 0.000 0.915 85 E CB 0.386 30.125 29.700 0.065 0.000 0.951 85 E HN 0.948 nan 8.360 nan 0.000 0.449 86 G N 2.454 111.277 108.800 0.039 0.000 2.234 86 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.235 86 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.235 86 G C 0.642 175.502 174.900 -0.067 0.000 0.997 86 G CA 0.308 45.465 45.100 0.095 0.000 0.623 86 G HN 0.495 nan 8.290 nan 0.000 0.514 87 L N 0.869 121.815 121.223 -0.462 0.000 2.068 87 L HA 0.537 4.877 4.340 -0.000 0.000 0.204 87 L C 1.141 177.873 176.870 -0.230 0.000 1.076 87 L CA 1.476 55.916 54.840 -0.667 0.000 0.753 87 L CB 0.106 41.549 42.059 -1.026 0.000 0.910 87 L HN 0.237 nan 8.230 nan 0.000 0.439 88 V N 0.664 120.496 119.914 -0.138 0.000 2.495 88 V HA 0.273 4.392 4.120 -0.000 0.000 0.298 88 V C 0.558 176.676 176.094 0.039 0.000 1.031 88 V CA -0.290 61.996 62.300 -0.023 0.000 0.871 88 V CB 1.497 33.314 31.823 -0.010 0.000 0.988 88 V HN 0.461 nan 8.190 nan 0.000 0.432 89 K N 2.287 122.751 120.400 0.106 0.000 2.412 89 K HA 0.216 4.536 4.320 -0.000 0.000 0.202 89 K C -0.173 176.582 176.600 0.259 0.000 1.102 89 K CA -0.288 56.087 56.287 0.147 0.000 1.027 89 K CB 1.013 33.591 32.500 0.130 0.000 0.931 89 K HN 0.530 nan 8.250 nan 0.000 0.557 90 W N 0.400 121.731 121.300 0.052 0.000 3.573 90 W HA 0.548 5.207 4.660 -0.000 0.000 0.306 90 W C -2.268 174.313 176.519 0.103 0.000 1.227 90 W CA -0.291 57.111 57.345 0.095 0.000 1.212 90 W CB 2.011 31.526 29.460 0.092 0.000 1.331 90 W HN 0.044 nan 8.180 nan 0.000 0.524 91 A N 4.920 127.679 122.820 -0.102 0.000 2.520 91 A HA 0.752 5.072 4.320 -0.000 0.000 0.298 91 A C -2.608 174.780 177.584 -0.328 0.000 1.051 91 A CA -0.686 51.299 52.037 -0.087 0.000 0.690 91 A CB 1.720 20.717 19.000 -0.004 0.000 1.281 91 A HN 0.991 nan 8.150 nan 0.000 0.402 92 L N 2.270 123.336 121.223 -0.262 0.000 2.372 92 L HA 0.775 5.115 4.340 -0.000 0.000 0.273 92 L C -1.161 175.634 176.870 -0.125 0.000 0.989 92 L CA -0.231 54.501 54.840 -0.178 0.000 0.841 92 L CB 0.859 42.754 42.059 -0.274 0.000 1.225 92 L HN 0.726 nan 8.230 nan 0.000 0.414 93 C N 2.539 121.793 119.300 -0.076 0.000 2.634 93 C HA 0.702 5.161 4.460 -0.000 0.000 0.313 93 C C 1.484 176.497 174.990 0.038 0.000 1.198 93 C CA -0.207 58.644 59.018 -0.277 0.000 1.605 93 C CB 1.580 28.700 27.740 -1.034 0.000 2.196 93 C HN 0.970 nan 8.230 nan 0.000 0.486 94 G N -0.736 108.092 108.800 0.046 0.000 2.494 94 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 94 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 94 G C 0.428 175.516 174.900 0.314 0.000 1.140 94 G CA 0.609 45.818 45.100 0.182 0.000 0.801 94 G HN 0.843 nan 8.290 nan 0.000 0.536 95 H N -2.023 117.103 119.070 0.093 0.000 3.018 95 H HA 0.198 4.754 4.556 -0.000 0.000 0.334 95 H C -0.583 174.794 175.328 0.081 0.000 0.983 95 H CA -0.967 55.178 56.048 0.163 0.000 1.363 95 H CB 1.130 30.976 29.762 0.140 0.000 1.668 95 H HN 0.123 nan 8.280 nan 0.000 0.513 96 W N 2.619 123.822 121.300 -0.161 0.000 2.942 96 W HA 0.185 4.845 4.660 -0.000 0.000 0.263 96 W C 2.183 178.543 176.519 -0.265 0.000 1.296 96 W CA 0.750 58.000 57.345 -0.160 0.000 1.504 96 W CB 0.433 29.863 29.460 -0.051 0.000 1.096 96 W HN 0.767 nan 8.180 nan 0.000 0.639 97 G N -0.407 108.203 108.800 -0.317 0.000 2.448 97 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.218 97 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.218 97 G C 1.356 176.170 174.900 -0.144 0.000 1.135 97 G CA 0.781 45.770 45.100 -0.185 0.000 0.784 97 G HN 0.165 nan 8.290 nan 0.000 0.543 98 Q N 0.450 120.103 119.800 -0.246 0.000 2.172 98 Q HA 0.115 4.455 4.340 -0.000 0.000 0.200 98 Q C 0.860 176.864 176.000 0.005 0.000 0.964 98 Q CA 0.590 56.372 55.803 -0.036 0.000 0.855 98 Q CB 0.091 28.859 28.738 0.050 0.000 0.918 98 Q HN 0.287 nan 8.270 nan 0.000 0.444 99 S N 1.519 117.201 115.700 -0.030 0.000 2.328 99 S HA 0.247 4.716 4.470 -0.000 0.000 0.204 99 S C -2.187 172.422 174.600 0.014 0.000 1.475 99 S CA -1.088 57.111 58.200 -0.003 0.000 1.148 99 S CB 1.257 64.443 63.200 -0.023 0.000 1.077 99 S HN 0.267 nan 8.310 nan 0.000 0.479 100 P HA -0.027 nan 4.420 nan 0.000 0.226 100 P C 1.158 178.491 177.300 0.055 0.000 1.153 100 P CA 0.495 63.625 63.100 0.050 0.000 0.777 100 P CB 0.385 32.109 31.700 0.040 0.000 0.794 101 R N -0.118 120.407 120.500 0.042 0.000 2.092 101 R HA 0.030 4.370 4.340 -0.000 0.000 0.231 101 R C 2.326 178.660 176.300 0.057 0.000 1.119 101 R CA 1.030 57.154 56.100 0.041 0.000 0.970 101 R CB -1.333 28.984 30.300 0.028 0.000 0.864 101 R HN 0.194 nan 8.270 nan 0.000 0.440 102 I N -0.459 120.150 120.570 0.065 0.000 2.353 102 I HA -0.182 3.987 4.170 -0.000 0.000 0.248 102 I C 1.944 178.211 176.117 0.250 0.000 1.119 102 I CA 1.002 62.365 61.300 0.106 0.000 1.417 102 I CB -0.097 37.911 38.000 0.014 0.000 1.078 102 I HN 0.042 nan 8.210 nan 0.000 0.421 103 S N 0.409 116.270 115.700 0.270 0.000 2.383 103 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 103 S C 1.620 176.286 174.600 0.110 0.000 1.030 103 S CA 1.491 59.863 58.200 0.288 0.000 1.002 103 S CB -0.337 62.992 63.200 0.215 0.000 0.829 103 S HN 0.441 nan 8.310 nan 0.000 0.467 104 D N 1.563 122.010 120.400 0.079 0.000 2.117 104 D HA -0.058 4.582 4.640 -0.000 0.000 0.197 104 D C 1.923 178.239 176.300 0.027 0.000 0.987 104 D CA 0.768 54.789 54.000 0.035 0.000 0.829 104 D CB -0.463 40.355 40.800 0.031 0.000 0.961 104 D HN 0.314 nan 8.370 nan 0.000 0.460 105 L N 0.687 121.941 121.223 0.052 0.000 2.012 105 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 105 L C 2.569 179.449 176.870 0.017 0.000 1.073 105 L CA 1.308 56.173 54.840 0.042 0.000 0.748 105 L CB -0.525 41.572 42.059 0.063 0.000 0.891 105 L HN -0.004 nan 8.230 nan 0.000 0.431 106 A N 0.111 122.944 122.820 0.021 0.000 1.883 106 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 106 A C 2.134 179.640 177.584 -0.129 0.000 1.186 106 A CA 1.895 53.873 52.037 -0.098 0.000 0.624 106 A CB -0.540 18.297 19.000 -0.271 0.000 0.822 106 A HN 0.457 nan 8.150 nan 0.000 0.444 107 E N -0.339 119.799 120.200 -0.103 0.000 2.118 107 E HA -0.213 4.136 4.350 -0.000 0.000 0.195 107 E C 1.876 178.434 176.600 -0.071 0.000 0.992 107 E CA 1.406 57.748 56.400 -0.098 0.000 0.804 107 E CB -0.153 29.503 29.700 -0.073 0.000 0.741 107 E HN 0.742 nan 8.360 nan 0.000 0.458 108 Q N 0.141 119.913 119.800 -0.047 0.000 2.365 108 Q HA 0.078 4.417 4.340 -0.000 0.000 0.203 108 Q C -0.219 175.761 176.000 -0.033 0.000 0.929 108 Q CA -0.173 55.610 55.803 -0.033 0.000 0.948 108 Q CB 0.336 29.065 28.738 -0.015 0.000 1.043 108 Q HN 0.208 nan 8.270 nan 0.000 0.505 109 N N 0.542 119.213 118.700 -0.050 0.000 2.747 109 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 109 N C -0.014 175.482 175.510 -0.024 0.000 1.107 109 N CA 0.918 53.938 53.050 -0.048 0.000 0.707 109 N CB -0.541 37.919 38.487 -0.045 0.000 1.054 109 N HN 0.403 nan 8.380 nan 0.000 0.555 110 K N 0.005 120.398 120.400 -0.012 0.000 2.367 110 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 110 K C 1.102 177.716 176.600 0.023 0.000 1.027 110 K CA 0.554 56.846 56.287 0.009 0.000 1.075 110 K CB 0.527 33.036 32.500 0.016 0.000 0.845 110 K HN 0.487 nan 8.250 nan 0.000 0.529 111 I N -2.382 118.197 120.570 0.014 0.000 2.894 111 I HA 0.390 4.560 4.170 -0.000 0.000 0.302 111 I C -0.668 175.437 176.117 -0.021 0.000 1.188 111 I CA -1.349 59.972 61.300 0.034 0.000 1.014 111 I CB 1.487 39.529 38.000 0.070 0.000 1.242 111 I HN -0.342 nan 8.210 nan 0.000 0.430 112 I N 3.248 123.813 120.570 -0.008 0.000 2.588 112 I HA 0.531 4.700 4.170 -0.000 0.000 0.283 112 I C 0.521 176.444 176.117 -0.322 0.000 1.119 112 I CA 0.122 61.334 61.300 -0.147 0.000 1.419 112 I CB 0.833 38.843 38.000 0.017 0.000 1.394 112 I HN 0.850 nan 8.210 nan 0.000 0.562 113 A N 7.143 129.657 122.820 -0.510 0.000 2.437 113 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 113 A C -1.597 175.641 177.584 -0.577 0.000 1.038 113 A CA -0.467 51.320 52.037 -0.417 0.000 0.708 113 A CB 0.913 19.655 19.000 -0.430 0.000 1.251 113 A HN 0.539 nan 8.150 nan 0.000 0.409 114 Y N 0.530 120.745 120.300 -0.142 0.000 2.536 114 Y HA 0.591 5.140 4.550 -0.000 0.000 0.347 114 Y C 0.342 176.370 175.900 0.214 0.000 1.000 114 Y CA -0.686 57.388 58.100 -0.042 0.000 1.051 114 Y CB 2.453 40.822 38.460 -0.152 0.000 1.259 114 Y HN 0.750 nan 8.280 nan 0.000 0.468 115 N N 1.269 120.236 118.700 0.446 0.000 2.540 115 N HA 0.275 5.015 4.740 -0.000 0.000 0.275 115 N C -1.830 173.968 175.510 0.481 0.000 1.053 115 N CA -0.440 52.928 53.050 0.531 0.000 0.876 115 N CB 0.660 39.476 38.487 0.550 0.000 1.284 115 N HN 0.427 nan 8.380 nan 0.000 0.518 116 Y N 2.317 122.750 120.300 0.221 0.000 2.307 116 Y HA 0.359 4.908 4.550 -0.000 0.000 0.324 116 Y C -1.859 174.085 175.900 0.073 0.000 1.238 116 Y CA -2.464 55.707 58.100 0.119 0.000 1.280 116 Y CB 0.304 38.784 38.460 0.032 0.000 1.248 116 Y HN 0.475 nan 8.280 nan 0.000 0.508 117 P HA -0.046 nan 4.420 nan 0.000 0.264 117 P C 0.666 177.951 177.300 -0.024 0.000 1.183 117 P CA 0.317 63.459 63.100 0.069 0.000 0.763 117 P CB 0.501 32.187 31.700 -0.023 0.000 0.807 118 Q N 3.076 122.855 119.800 -0.035 0.000 2.112 118 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 118 Q C 2.003 177.672 176.000 -0.553 0.000 0.987 118 Q CA 2.466 58.171 55.803 -0.164 0.000 0.858 118 Q CB -0.814 27.897 28.738 -0.045 0.000 0.905 118 Q HN 0.666 nan 8.270 nan 0.000 0.420 119 G N -0.264 107.900 108.800 -1.059 0.000 2.402 119 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 119 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 119 G C 1.427 176.071 174.900 -0.426 0.000 1.162 119 G CA 0.842 45.102 45.100 -1.400 0.000 0.777 119 G HN 0.301 nan 8.290 nan 0.000 0.539 120 V N 0.849 120.625 119.914 -0.230 0.000 2.332 120 V HA -0.154 3.965 4.120 -0.000 0.000 0.248 120 V C 2.749 178.715 176.094 -0.214 0.000 1.055 120 V CA 1.497 63.620 62.300 -0.296 0.000 1.038 120 V CB -0.458 30.913 31.823 -0.755 0.000 0.651 120 V HN 0.353 nan 8.190 nan 0.000 0.450 121 L N -0.289 120.876 121.223 -0.097 0.000 1.989 121 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 121 L C 2.732 179.603 176.870 0.002 0.000 1.071 121 L CA 2.453 57.332 54.840 0.066 0.000 0.749 121 L CB -0.479 41.618 42.059 0.063 0.000 0.890 121 L HN 0.441 nan 8.230 nan 0.000 0.431 122 T N -1.302 113.215 114.554 -0.061 0.000 2.833 122 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 122 T C 1.741 176.431 174.700 -0.017 0.000 1.054 122 T CA 1.504 63.589 62.100 -0.025 0.000 1.135 122 T CB -0.006 68.859 68.868 -0.005 0.000 0.869 122 T HN 0.433 nan 8.240 nan 0.000 0.466 123 Q N 0.200 119.972 119.800 -0.046 0.000 2.124 123 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 123 Q C 2.625 178.616 176.000 -0.014 0.000 0.977 123 Q CA 1.939 57.724 55.803 -0.029 0.000 0.850 123 Q CB -0.263 28.453 28.738 -0.037 0.000 0.901 123 Q HN 0.738 nan 8.270 nan 0.000 0.429 124 T N -1.171 113.379 114.554 -0.007 0.000 2.904 124 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 124 T C 1.835 176.562 174.700 0.045 0.000 1.059 124 T CA 0.528 62.646 62.100 0.030 0.000 1.137 124 T CB -0.247 68.686 68.868 0.107 0.000 0.879 124 T HN 0.131 nan 8.240 nan 0.000 0.467 125 L N 0.255 121.502 121.223 0.040 0.000 2.083 125 L HA 0.049 4.389 4.340 -0.000 0.000 0.209 125 L C 3.225 180.118 176.870 0.038 0.000 1.083 125 L CA 1.319 56.183 54.840 0.040 0.000 0.752 125 L CB -0.467 41.612 42.059 0.033 0.000 0.899 125 L HN 0.218 nan 8.230 nan 0.000 0.433 126 R N 0.075 120.591 120.500 0.027 0.000 2.075 126 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 126 R C 2.373 178.692 176.300 0.032 0.000 1.126 126 R CA 1.259 57.373 56.100 0.024 0.000 0.963 126 R CB -0.197 30.110 30.300 0.011 0.000 0.858 126 R HN 0.331 nan 8.270 nan 0.000 0.435 127 A N 0.793 123.633 122.820 0.032 0.000 1.908 127 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 127 A C 2.343 179.970 177.584 0.073 0.000 1.181 127 A CA 1.781 53.844 52.037 0.044 0.000 0.627 127 A CB -0.835 18.186 19.000 0.034 0.000 0.818 127 A HN 0.519 nan 8.150 nan 0.000 0.445 128 A N -0.162 122.703 122.820 0.075 0.000 1.940 128 A HA 0.127 4.446 4.320 -0.000 0.000 0.219 128 A C 2.489 180.165 177.584 0.154 0.000 1.176 128 A CA 2.121 54.219 52.037 0.103 0.000 0.631 128 A CB -1.017 18.026 19.000 0.072 0.000 0.814 128 A HN 1.143 nan 8.150 nan 0.000 0.446 129 A N -0.399 122.481 122.820 0.101 0.000 1.940 129 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 129 A C 2.206 179.812 177.584 0.036 0.000 1.176 129 A CA 1.987 54.072 52.037 0.080 0.000 0.631 129 A CB -0.686 18.342 19.000 0.048 0.000 0.814 129 A HN 1.173 nan 8.150 nan 0.000 0.446 130 A N -2.370 120.478 122.820 0.047 0.000 2.345 130 A HA 0.326 4.646 4.320 -0.000 0.000 0.225 130 A C 0.576 178.202 177.584 0.070 0.000 1.243 130 A CA 0.457 52.497 52.037 0.005 0.000 0.875 130 A CB -0.785 18.226 19.000 0.018 0.000 0.929 130 A HN 0.712 nan 8.150 nan 0.000 0.502 131 H N -0.708 118.378 119.070 0.026 0.000 2.791 131 H HA -0.166 4.390 4.556 -0.000 0.000 0.302 131 H C -0.335 175.013 175.328 0.033 0.000 1.198 131 H CA 0.345 56.409 56.048 0.026 0.000 1.145 131 H CB -1.447 28.327 29.762 0.021 0.000 1.385 131 H HN 0.729 nan 8.280 nan 0.000 0.409 132 Q N 1.159 121.045 119.800 0.145 0.000 2.261 132 Q HA 0.084 4.424 4.340 -0.000 0.000 0.252 132 Q C -1.363 174.703 176.000 0.109 0.000 0.915 132 Q CA -1.690 54.178 55.803 0.107 0.000 0.915 132 Q CB 1.104 29.889 28.738 0.078 0.000 1.204 132 Q HN 0.225 nan 8.270 nan 0.000 0.421 133 P HA -0.017 nan 4.420 nan 0.000 0.225 133 P C 0.113 177.519 177.300 0.176 0.000 1.156 133 P CA 0.734 63.934 63.100 0.165 0.000 0.787 133 P CB 0.540 32.365 31.700 0.208 0.000 0.802 134 G N -0.194 108.688 108.800 0.137 0.000 2.342 134 G HA2 0.475 4.435 3.960 -0.000 0.000 0.297 134 G HA3 0.475 4.435 3.960 -0.000 0.000 0.297 134 G C -1.844 173.025 174.900 -0.052 0.000 1.313 134 G CA -0.663 44.366 45.100 -0.118 0.000 0.830 134 G HN 0.195 nan 8.290 nan 0.000 0.506 135 I N -2.087 118.386 120.570 -0.162 0.000 2.740 135 I HA 0.846 5.016 4.170 -0.000 0.000 0.303 135 I C -0.846 175.283 176.117 0.021 0.000 1.044 135 I CA -1.502 59.775 61.300 -0.039 0.000 1.064 135 I CB 2.219 40.191 38.000 -0.047 0.000 1.249 135 I HN 0.404 nan 8.210 nan 0.000 0.433 136 I N 3.957 124.546 120.570 0.032 0.000 2.339 136 I HA 0.526 4.696 4.170 -0.000 0.000 0.290 136 I C -0.079 176.049 176.117 0.018 0.000 0.994 136 I CA -0.178 61.145 61.300 0.038 0.000 1.191 136 I CB 1.566 39.464 38.000 -0.170 0.000 1.343 136 I HN 0.693 nan 8.210 nan 0.000 0.458 137 S N 3.260 119.067 115.700 0.177 0.000 2.533 137 S HA 0.269 4.738 4.470 -0.000 0.000 0.271 137 S C -0.269 174.523 174.600 0.321 0.000 1.143 137 S CA -0.748 57.575 58.200 0.206 0.000 0.891 137 S CB 1.354 64.606 63.200 0.088 0.000 1.105 137 S HN 0.736 nan 8.310 nan 0.000 0.468 138 D N 2.707 123.290 120.400 0.306 0.000 2.339 138 D HA 0.098 4.737 4.640 -0.000 0.000 0.217 138 D C 0.546 176.860 176.300 0.023 0.000 1.050 138 D CA -0.106 53.962 54.000 0.113 0.000 0.856 138 D CB -0.173 40.587 40.800 -0.067 0.000 0.922 138 D HN 0.414 nan 8.370 nan 0.000 0.518 139 I N 1.440 122.002 120.570 -0.014 0.000 2.664 139 I HA 0.277 4.447 4.170 -0.000 0.000 0.284 139 I C 1.774 177.904 176.117 0.022 0.000 1.154 139 I CA 1.127 62.374 61.300 -0.089 0.000 1.402 139 I CB -0.130 37.652 38.000 -0.363 0.000 1.395 139 I HN 0.438 nan 8.210 nan 0.000 0.545 140 G N 6.490 115.300 108.800 0.016 0.000 2.201 140 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.212 140 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.212 140 G C 0.401 175.279 174.900 -0.036 0.000 0.994 140 G CA -0.670 44.438 45.100 0.013 0.000 0.644 140 G HN 0.435 nan 8.290 nan 0.000 0.508 141 I N 1.824 122.370 120.570 -0.041 0.000 2.752 141 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 141 I C 1.881 177.956 176.117 -0.070 0.000 1.197 141 I CA 2.416 63.675 61.300 -0.068 0.000 1.432 141 I CB 0.014 37.964 38.000 -0.083 0.000 1.359 141 I HN 1.308 nan 8.210 nan 0.000 0.571 142 G N 4.292 113.049 108.800 -0.072 0.000 2.179 142 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.260 142 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.260 142 G C 0.371 175.249 174.900 -0.037 0.000 0.977 142 G CA 0.562 45.620 45.100 -0.070 0.000 0.641 142 G HN 0.882 nan 8.290 nan 0.000 0.533 143 T N -2.351 112.193 114.554 -0.018 0.000 2.870 143 T HA 0.630 4.980 4.350 -0.000 0.000 0.277 143 T C 1.375 176.090 174.700 0.025 0.000 1.000 143 T CA 0.112 62.243 62.100 0.052 0.000 0.982 143 T CB 0.988 69.905 68.868 0.081 0.000 1.249 143 T HN 1.124 nan 8.240 nan 0.000 0.589 144 F N 0.032 119.962 119.950 -0.034 0.000 2.408 144 F HA 0.096 4.623 4.527 -0.000 0.000 0.300 144 F C 1.596 177.370 175.800 -0.043 0.000 1.090 144 F CA 0.464 58.430 58.000 -0.055 0.000 1.427 144 F CB -1.276 37.639 39.000 -0.142 0.000 1.070 144 F HN 0.231 nan 8.300 nan 0.000 0.549 145 V N 0.315 119.723 119.914 -0.843 0.000 2.667 145 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 145 V C 0.940 176.859 176.094 -0.292 0.000 1.065 145 V CA 1.317 63.240 62.300 -0.627 0.000 1.083 145 V CB -0.869 30.634 31.823 -0.533 0.000 0.692 145 V HN 0.318 nan 8.190 nan 0.000 0.468 146 D N 1.352 121.627 120.400 -0.209 0.000 2.450 146 D HA 0.001 4.640 4.640 -0.000 0.000 0.247 146 D C -1.369 174.873 176.300 -0.097 0.000 1.162 146 D CA -1.627 52.288 54.000 -0.143 0.000 0.879 146 D CB 1.738 42.480 40.800 -0.097 0.000 1.163 146 D HN 0.151 nan 8.370 nan 0.000 0.472 147 P HA -0.096 nan 4.420 nan 0.000 0.225 147 P C 0.838 178.124 177.300 -0.024 0.000 1.148 147 P CA 0.736 63.811 63.100 -0.042 0.000 0.779 147 P CB 0.248 31.923 31.700 -0.040 0.000 0.780 148 R N -0.811 119.669 120.500 -0.034 0.000 2.307 148 R HA 0.025 4.365 4.340 -0.000 0.000 0.199 148 R C 2.039 178.331 176.300 -0.013 0.000 1.000 148 R CA 0.775 56.861 56.100 -0.025 0.000 1.023 148 R CB -0.100 30.179 30.300 -0.035 0.000 0.908 148 R HN 0.418 nan 8.270 nan 0.000 0.473 149 Q N -0.645 119.151 119.800 -0.005 0.000 2.729 149 Q HA 0.095 4.435 4.340 -0.000 0.000 0.228 149 Q C 0.994 177.022 176.000 0.047 0.000 1.021 149 Q CA -0.055 55.763 55.803 0.025 0.000 0.561 149 Q CB 0.262 29.027 28.738 0.045 0.000 3.921 149 Q HN -0.051 nan 8.270 nan 0.000 0.430 150 Q N -0.469 119.380 119.800 0.082 0.000 2.281 150 Q HA 0.239 4.579 4.340 -0.000 0.000 0.215 150 Q C 0.183 176.234 176.000 0.085 0.000 0.867 150 Q CA 0.569 56.435 55.803 0.106 0.000 0.940 150 Q CB 1.185 30.043 28.738 0.200 0.000 1.111 150 Q HN 0.739 nan 8.270 nan 0.000 0.513 151 G N 0.481 109.296 108.800 0.026 0.000 2.283 151 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.280 151 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.280 151 G C 0.870 175.816 174.900 0.076 0.000 1.029 151 G CA 0.490 45.599 45.100 0.014 0.000 0.840 151 G HN 0.856 nan 8.290 nan 0.000 0.505 152 G N -1.516 107.291 108.800 0.012 0.000 2.168 152 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.263 152 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.263 152 G C 0.432 175.504 174.900 0.287 0.000 0.977 152 G CA 1.208 46.371 45.100 0.106 0.000 0.659 152 G HN 1.072 nan 8.290 nan 0.000 0.533 153 K N -0.125 120.381 120.400 0.178 0.000 2.322 153 K HA 0.542 4.862 4.320 -0.000 0.000 0.283 153 K C 1.350 177.911 176.600 -0.064 0.000 1.042 153 K CA -0.415 55.839 56.287 -0.056 0.000 0.958 153 K CB 0.942 33.399 32.500 -0.073 0.000 0.984 153 K HN 0.183 nan 8.250 nan 0.000 0.473 154 L N 1.946 123.030 121.223 -0.230 0.000 2.554 154 L HA 0.029 4.369 4.340 -0.000 0.000 0.225 154 L C 0.377 177.102 176.870 -0.243 0.000 1.104 154 L CA 0.029 54.712 54.840 -0.262 0.000 0.866 154 L CB -0.386 41.370 42.059 -0.505 0.000 1.047 154 L HN 0.741 nan 8.230 nan 0.000 0.468 155 N N -2.272 116.294 118.700 -0.224 0.000 3.278 155 N HA 0.114 4.854 4.740 -0.000 0.000 0.307 155 N C 0.155 175.590 175.510 -0.126 0.000 1.551 155 N CA -0.777 52.171 53.050 -0.169 0.000 0.794 155 N CB 0.488 38.869 38.487 -0.178 0.000 1.770 155 N HN -0.190 nan 8.380 nan 0.000 0.612 156 E N -0.836 119.307 120.200 -0.095 0.000 2.216 156 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 156 E C 1.142 177.707 176.600 -0.058 0.000 0.988 156 E CA 0.543 56.904 56.400 -0.065 0.000 0.834 156 E CB 0.138 29.808 29.700 -0.051 0.000 0.772 156 E HN 0.331 nan 8.360 nan 0.000 0.479 157 V N 1.123 120.997 119.914 -0.068 0.000 3.217 157 V HA -0.043 4.076 4.120 -0.000 0.000 0.264 157 V C 0.414 176.474 176.094 -0.056 0.000 1.135 157 V CA 0.991 63.263 62.300 -0.047 0.000 1.142 157 V CB 0.115 31.916 31.823 -0.036 0.000 0.754 157 V HN 0.105 nan 8.190 nan 0.000 0.484 158 T N 1.909 116.393 114.554 -0.118 0.000 2.737 158 T HA 0.256 4.606 4.350 -0.000 0.000 0.296 158 T C 0.724 175.379 174.700 -0.075 0.000 0.922 158 T CA -0.266 61.729 62.100 -0.175 0.000 1.079 158 T CB 0.961 69.575 68.868 -0.423 0.000 0.892 158 T HN 0.277 nan 8.240 nan 0.000 0.514 159 K N 1.801 122.215 120.400 0.024 0.000 2.443 159 K HA 0.143 4.463 4.320 -0.000 0.000 0.200 159 K C 0.793 177.477 176.600 0.140 0.000 1.278 159 K CA 0.012 56.341 56.287 0.069 0.000 0.925 159 K CB 0.333 32.869 32.500 0.060 0.000 1.225 159 K HN 0.605 nan 8.250 nan 0.000 0.514 160 E N 3.049 123.381 120.200 0.219 0.000 2.415 160 E HA -0.037 4.313 4.350 -0.000 0.000 0.263 160 E C -0.874 175.904 176.600 0.297 0.000 0.995 160 E CA -0.070 56.479 56.400 0.249 0.000 0.915 160 E CB 0.492 30.363 29.700 0.285 0.000 0.951 160 E HN -0.016 nan 8.360 nan 0.000 0.449 161 D N 5.020 125.537 120.400 0.194 0.000 2.348 161 D HA 0.069 4.709 4.640 -0.000 0.000 0.253 161 D C 0.690 177.074 176.300 0.141 0.000 1.161 161 D CA 0.158 54.259 54.000 0.169 0.000 0.876 161 D CB 1.202 42.066 40.800 0.108 0.000 1.160 161 D HN 0.490 nan 8.370 nan 0.000 0.459 162 L N 1.599 122.890 121.223 0.114 0.000 2.701 162 L HA 0.295 4.634 4.340 -0.000 0.000 0.238 162 L C 0.464 177.370 176.870 0.059 0.000 1.106 162 L CA 0.217 55.104 54.840 0.078 0.000 0.898 162 L CB 0.369 42.421 42.059 -0.011 0.000 1.188 162 L HN 0.212 nan 8.230 nan 0.000 0.508 163 I N 0.757 121.327 120.570 -0.001 0.000 2.509 163 I HA 0.294 4.463 4.170 -0.000 0.000 0.293 163 I C -0.514 175.562 176.117 -0.068 0.000 1.020 163 I CA -0.539 60.658 61.300 -0.172 0.000 1.088 163 I CB 2.027 39.799 38.000 -0.381 0.000 1.267 163 I HN -0.010 nan 8.210 nan 0.000 0.430 164 K N 5.695 126.081 120.400 -0.024 0.000 2.477 164 K HA 0.554 4.874 4.320 -0.000 0.000 0.255 164 K C -1.574 175.030 176.600 0.007 0.000 0.952 164 K CA -0.912 55.385 56.287 0.015 0.000 0.826 164 K CB 2.479 35.019 32.500 0.066 0.000 1.331 164 K HN 0.356 nan 8.250 nan 0.000 0.437 165 L N 3.765 124.984 121.223 -0.007 0.000 2.331 165 L HA 0.387 4.727 4.340 -0.000 0.000 0.278 165 L C -0.449 176.437 176.870 0.027 0.000 1.106 165 L CA -0.100 54.742 54.840 0.003 0.000 0.824 165 L CB 1.117 43.163 42.059 -0.022 0.000 1.142 165 L HN 0.748 nan 8.230 nan 0.000 0.443 166 V N 2.346 122.309 119.914 0.082 0.000 3.141 166 V HA 0.680 4.800 4.120 -0.000 0.000 0.312 166 V C -0.844 175.295 176.094 0.075 0.000 1.157 166 V CA -0.964 61.372 62.300 0.059 0.000 1.041 166 V CB 2.136 34.054 31.823 0.159 0.000 1.071 166 V HN 0.859 nan 8.190 nan 0.000 0.441 167 E N 0.454 120.584 120.200 -0.117 0.000 2.224 167 E HA 0.668 5.018 4.350 -0.000 0.000 0.265 167 E C -2.274 174.113 176.600 -0.355 0.000 0.878 167 E CA -0.565 55.789 56.400 -0.076 0.000 0.759 167 E CB 1.996 31.631 29.700 -0.108 0.000 1.164 167 E HN 0.654 nan 8.360 nan 0.000 0.414 168 F N 2.286 122.382 119.950 0.244 0.000 2.569 168 F HA 0.237 4.764 4.527 -0.000 0.000 0.312 168 F C -0.176 175.747 175.800 0.205 0.000 1.109 168 F CA -0.822 57.273 58.000 0.157 0.000 0.919 168 F CB 1.798 40.806 39.000 0.015 0.000 1.211 168 F HN 0.467 nan 8.300 nan 0.000 0.446 169 D N 2.532 123.089 120.400 0.262 0.000 2.708 169 D HA -0.320 4.319 4.640 -0.000 0.000 0.236 169 D C 0.299 176.680 176.300 0.134 0.000 1.146 169 D CA 1.392 55.499 54.000 0.179 0.000 0.662 169 D CB -0.996 39.918 40.800 0.190 0.000 1.059 169 D HN 0.964 nan 8.370 nan 0.000 0.428 170 N N -1.156 117.597 118.700 0.088 0.000 2.829 170 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 170 N C -0.849 174.676 175.510 0.026 0.000 1.090 170 N CA 1.554 54.629 53.050 0.041 0.000 0.781 170 N CB -0.179 38.326 38.487 0.030 0.000 1.124 170 N HN 0.448 nan 8.380 nan 0.000 0.559 171 K N 0.189 120.621 120.400 0.053 0.000 2.477 171 K HA 0.348 4.668 4.320 -0.000 0.000 0.255 171 K C -1.030 175.491 176.600 -0.130 0.000 0.952 171 K CA -0.772 55.475 56.287 -0.067 0.000 0.826 171 K CB 1.514 33.934 32.500 -0.132 0.000 1.331 171 K HN 0.103 nan 8.250 nan 0.000 0.437 172 E N 1.552 121.602 120.200 -0.250 0.000 2.313 172 E HA 0.209 4.559 4.350 -0.000 0.000 0.276 172 E C -1.008 175.354 176.600 -0.397 0.000 1.031 172 E CA -0.035 56.248 56.400 -0.196 0.000 0.857 172 E CB 0.604 30.216 29.700 -0.148 0.000 1.040 172 E HN 0.310 nan 8.360 nan 0.000 0.408 173 Y N 0.593 120.935 120.300 0.070 0.000 2.609 173 Y HA 0.384 4.933 4.550 -0.000 0.000 0.342 173 Y C -0.327 175.602 175.900 0.048 0.000 1.058 173 Y CA -0.995 57.155 58.100 0.083 0.000 1.055 173 Y CB 1.310 39.871 38.460 0.167 0.000 1.292 173 Y HN 0.280 nan 8.280 nan 0.000 0.476 174 L N 1.921 123.258 121.223 0.190 0.000 2.295 174 L HA 0.348 4.688 4.340 -0.000 0.000 0.285 174 L C -1.211 175.695 176.870 0.059 0.000 1.035 174 L CA -0.915 53.915 54.840 -0.017 0.000 0.806 174 L CB 1.148 43.026 42.059 -0.302 0.000 1.214 174 L HN 0.595 nan 8.230 nan 0.000 0.426 175 Y N 3.298 123.542 120.300 -0.094 0.000 2.367 175 Y HA 0.356 4.905 4.550 -0.000 0.000 0.342 175 Y C -1.139 174.670 175.900 -0.151 0.000 0.979 175 Y CA -0.543 57.541 58.100 -0.027 0.000 1.161 175 Y CB 0.497 38.977 38.460 0.033 0.000 1.155 175 Y HN 0.307 nan 8.280 nan 0.000 0.503 176 Y N 5.646 125.553 120.300 -0.655 0.000 2.335 176 Y HA 0.282 4.832 4.550 -0.000 0.000 0.339 176 Y C 0.269 175.727 175.900 -0.737 0.000 0.987 176 Y CA -0.934 56.778 58.100 -0.647 0.000 1.140 176 Y CB 1.103 39.151 38.460 -0.688 0.000 1.173 176 Y HN 0.513 nan 8.280 nan 0.000 0.486 177 K N 2.637 122.867 120.400 -0.284 0.000 2.451 177 K HA 0.377 4.697 4.320 -0.000 0.000 0.280 177 K C -0.275 176.368 176.600 0.072 0.000 1.020 177 K CA -0.153 56.076 56.287 -0.096 0.000 1.008 177 K CB 0.344 32.900 32.500 0.094 0.000 0.917 177 K HN 0.797 nan 8.250 nan 0.000 0.478 178 A N 5.743 128.581 122.820 0.031 0.000 2.309 178 A HA 0.366 4.686 4.320 -0.000 0.000 0.290 178 A C -0.387 177.233 177.584 0.060 0.000 1.206 178 A CA -0.555 51.524 52.037 0.070 0.000 0.850 178 A CB -0.008 19.022 19.000 0.050 0.000 1.118 178 A HN 0.758 nan 8.150 nan 0.000 0.523 179 I N 2.431 123.035 120.570 0.058 0.000 2.362 179 I HA 0.470 4.639 4.170 -0.000 0.000 0.289 179 I C 0.590 176.707 176.117 -0.001 0.000 0.994 179 I CA -0.180 61.123 61.300 0.006 0.000 1.158 179 I CB 1.894 39.893 38.000 -0.002 0.000 1.315 179 I HN 0.679 nan 8.210 nan 0.000 0.451 180 A N 8.488 131.295 122.820 -0.022 0.000 2.301 180 A HA 0.788 5.107 4.320 -0.000 0.000 0.298 180 A C -2.487 175.076 177.584 -0.035 0.000 1.185 180 A CA -1.392 50.639 52.037 -0.010 0.000 0.830 180 A CB 0.070 19.070 19.000 -0.000 0.000 1.112 180 A HN 0.394 nan 8.150 nan 0.000 0.508 181 P HA 0.332 nan 4.420 nan 0.000 0.278 181 P C -0.416 176.867 177.300 -0.029 0.000 1.258 181 P CA -0.313 62.766 63.100 -0.036 0.000 0.811 181 P CB 0.993 32.678 31.700 -0.025 0.000 1.063 182 D N -0.339 120.036 120.400 -0.041 0.000 2.355 182 D HA 0.140 4.780 4.640 -0.000 0.000 0.206 182 D C 0.411 176.704 176.300 -0.011 0.000 1.010 182 D CA 1.027 55.011 54.000 -0.026 0.000 0.875 182 D CB 0.554 41.334 40.800 -0.033 0.000 0.966 182 D HN 0.210 nan 8.370 nan 0.000 0.512 183 I N 0.758 121.308 120.570 -0.032 0.000 2.686 183 I HA 0.497 4.667 4.170 -0.000 0.000 0.295 183 I C -0.664 175.419 176.117 -0.057 0.000 1.114 183 I CA -1.060 60.224 61.300 -0.026 0.000 1.038 183 I CB 1.939 39.903 38.000 -0.060 0.000 1.238 183 I HN -0.267 nan 8.210 nan 0.000 0.420 184 A N 5.668 128.502 122.820 0.024 0.000 2.355 184 A HA 0.826 5.146 4.320 -0.000 0.000 0.317 184 A C -1.451 176.284 177.584 0.252 0.000 1.094 184 A CA -0.372 51.699 52.037 0.057 0.000 0.764 184 A CB 1.123 20.172 19.000 0.081 0.000 1.230 184 A HN 0.390 nan 8.150 nan 0.000 0.448 185 F N 3.324 123.295 119.950 0.036 0.000 2.293 185 F HA 0.450 4.977 4.527 -0.000 0.000 0.370 185 F C 0.459 176.282 175.800 0.039 0.000 1.090 185 F CA -1.378 56.642 58.000 0.034 0.000 1.133 185 F CB 0.478 39.500 39.000 0.036 0.000 1.360 185 F HN 0.582 nan 8.300 nan 0.000 0.489 186 I N 0.575 121.269 120.570 0.206 0.000 3.449 186 I HA 0.829 4.999 4.170 -0.000 0.000 0.294 186 I C -0.671 175.496 176.117 0.083 0.000 1.163 186 I CA -1.275 60.111 61.300 0.143 0.000 1.010 186 I CB 2.566 40.646 38.000 0.133 0.000 1.307 186 I HN 0.442 nan 8.210 nan 0.000 0.518 187 R N 1.206 121.746 120.500 0.068 0.000 2.629 187 R HA 0.814 5.154 4.340 -0.000 0.000 0.266 187 R C -2.035 174.156 176.300 -0.182 0.000 1.051 187 R CA -0.323 55.760 56.100 -0.029 0.000 0.895 187 R CB 2.183 32.484 30.300 0.001 0.000 1.246 187 R HN 1.086 nan 8.270 nan 0.000 0.459 188 A N 1.085 123.683 122.820 -0.369 0.000 2.552 188 A HA 0.510 4.830 4.320 -0.000 0.000 0.288 188 A C 0.130 177.445 177.584 -0.448 0.000 1.193 188 A CA -0.479 51.063 52.037 -0.825 0.000 0.713 188 A CB 1.399 19.820 19.000 -0.965 0.000 1.305 188 A HN 0.698 nan 8.150 nan 0.000 0.424 189 T N 0.504 114.803 114.554 -0.425 0.000 2.770 189 T HA 0.182 4.532 4.350 -0.000 0.000 0.258 189 T C 0.414 175.029 174.700 -0.142 0.000 1.039 189 T CA 2.029 64.015 62.100 -0.190 0.000 1.143 189 T CB -0.140 68.666 68.868 -0.103 0.000 0.866 189 T HN 0.761 nan 8.240 nan 0.000 0.428 190 T N 1.037 115.503 114.554 -0.146 0.000 2.916 190 T HA 0.575 4.924 4.350 -0.000 0.000 0.305 190 T C -0.802 173.853 174.700 -0.076 0.000 1.119 190 T CA -0.967 61.085 62.100 -0.080 0.000 1.008 190 T CB 1.728 70.573 68.868 -0.039 0.000 1.129 190 T HN 0.566 nan 8.240 nan 0.000 0.480 191 C N 1.359 120.632 119.300 -0.044 0.000 2.994 191 C HA 0.945 5.405 4.460 -0.000 0.000 0.304 191 C C -0.296 174.703 174.990 0.015 0.000 1.273 191 C CA -1.078 57.933 59.018 -0.011 0.000 1.537 191 C CB 1.261 28.983 27.740 -0.030 0.000 2.001 191 C HN 0.961 nan 8.230 nan 0.000 0.471 192 D N 0.930 121.362 120.400 0.054 0.000 2.447 192 D HA 0.273 4.913 4.640 -0.000 0.000 0.265 192 D C 1.267 177.600 176.300 0.054 0.000 1.250 192 D CA 0.205 54.236 54.000 0.051 0.000 1.046 192 D CB 0.609 41.438 40.800 0.050 0.000 1.095 192 D HN 0.851 nan 8.370 nan 0.000 0.555 193 S N -1.379 114.348 115.700 0.044 0.000 2.507 193 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 193 S C 1.000 175.634 174.600 0.057 0.000 0.988 193 S CA 0.663 58.885 58.200 0.037 0.000 0.944 193 S CB -0.529 62.686 63.200 0.025 0.000 0.762 193 S HN 0.608 nan 8.310 nan 0.000 0.526 194 E N 0.300 120.565 120.200 0.109 0.000 2.498 194 E HA 0.323 4.673 4.350 -0.000 0.000 0.203 194 E C 1.108 177.766 176.600 0.097 0.000 1.013 194 E CA 0.198 56.686 56.400 0.147 0.000 0.927 194 E CB 0.422 30.276 29.700 0.258 0.000 1.012 194 E HN 0.666 nan 8.360 nan 0.000 0.482 195 G N 1.038 109.875 108.800 0.061 0.000 2.179 195 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.220 195 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.220 195 G C -0.208 174.631 174.900 -0.101 0.000 0.990 195 G CA -0.458 44.609 45.100 -0.055 0.000 0.646 195 G HN 0.214 nan 8.290 nan 0.000 0.517 196 Y N 1.674 121.935 120.300 -0.065 0.000 2.569 196 Y HA 0.477 5.026 4.550 -0.000 0.000 0.332 196 Y C 0.873 176.746 175.900 -0.045 0.000 1.120 196 Y CA 0.642 58.701 58.100 -0.068 0.000 1.416 196 Y CB 0.965 39.393 38.460 -0.053 0.000 1.210 196 Y HN 0.529 nan 8.280 nan 0.000 0.528 197 A N 2.735 125.596 122.820 0.068 0.000 2.350 197 A HA 0.794 5.114 4.320 -0.000 0.000 0.324 197 A C -0.189 177.461 177.584 0.109 0.000 1.118 197 A CA -0.547 51.509 52.037 0.030 0.000 0.783 197 A CB 0.838 19.809 19.000 -0.048 0.000 1.236 197 A HN 0.668 nan 8.150 nan 0.000 0.457 198 T N -2.115 112.467 114.554 0.047 0.000 2.932 198 T HA 0.711 5.061 4.350 -0.000 0.000 0.289 198 T C -0.702 174.035 174.700 0.061 0.000 1.039 198 T CA -0.335 61.862 62.100 0.162 0.000 1.024 198 T CB 0.973 69.907 68.868 0.110 0.000 1.090 198 T HN 0.326 nan 8.240 nan 0.000 0.496 199 F N 0.973 120.974 119.950 0.086 0.000 2.850 199 F HA 0.261 4.788 4.527 -0.000 0.000 0.329 199 F C 2.023 177.885 175.800 0.103 0.000 1.182 199 F CA -0.962 57.116 58.000 0.129 0.000 1.270 199 F CB 0.500 39.670 39.000 0.284 0.000 0.979 199 F HN 0.774 nan 8.300 nan 0.000 0.506 200 E N -0.335 119.965 120.200 0.167 0.000 2.153 200 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 200 E C 0.322 176.959 176.600 0.061 0.000 0.988 200 E CA 1.752 58.212 56.400 0.101 0.000 0.811 200 E CB -0.040 29.690 29.700 0.050 0.000 0.746 200 E HN 0.303 nan 8.360 nan 0.000 0.466 201 D N 0.608 121.037 120.400 0.048 0.000 2.407 201 D HA 0.068 4.708 4.640 -0.000 0.000 0.208 201 D C -0.044 176.276 176.300 0.032 0.000 1.083 201 D CA 0.015 54.032 54.000 0.029 0.000 0.844 201 D CB 0.320 41.127 40.800 0.013 0.000 0.967 201 D HN 0.108 nan 8.370 nan 0.000 0.506 202 E N 0.916 121.154 120.200 0.064 0.000 2.390 202 E HA 0.118 4.468 4.350 -0.000 0.000 0.261 202 E C 0.793 177.402 176.600 0.015 0.000 1.076 202 E CA -0.287 56.155 56.400 0.071 0.000 0.905 202 E CB 1.359 31.180 29.700 0.201 0.000 0.984 202 E HN -0.154 nan 8.360 nan 0.000 0.427 206 L N 0.729 121.991 121.223 0.064 0.000 6.328 206 L HA -0.369 3.971 4.340 -0.000 0.000 0.053 206 L C 0.450 177.347 176.870 0.046 0.000 2.032 206 L CA 1.953 56.827 54.840 0.058 0.000 1.701 206 L CB -0.753 41.351 42.059 0.076 0.000 2.706 206 L HN 0.441 nan 8.230 nan 0.000 1.012 207 D N -0.351 120.079 120.400 0.050 0.000 2.788 207 D HA 0.438 5.078 4.640 -0.000 0.000 0.289 207 D C 0.866 177.182 176.300 0.026 0.000 1.340 207 D CA 0.347 54.364 54.000 0.028 0.000 0.831 207 D CB 0.607 41.432 40.800 0.043 0.000 1.103 207 D HN 0.612 nan 8.370 nan 0.000 0.476 208 A N 0.546 123.383 122.820 0.029 0.000 1.883 208 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 208 A C 1.960 179.566 177.584 0.037 0.000 1.186 208 A CA 1.381 53.465 52.037 0.078 0.000 0.624 208 A CB -0.586 18.530 19.000 0.192 0.000 0.822 208 A HN 0.367 nan 8.150 nan 0.000 0.444 209 L N -0.206 120.997 121.223 -0.034 0.000 2.017 209 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 209 L C 2.396 179.253 176.870 -0.020 0.000 1.073 209 L CA 1.974 56.786 54.840 -0.048 0.000 0.745 209 L CB -0.624 41.373 42.059 -0.104 0.000 0.894 209 L HN 0.143 nan 8.230 nan 0.000 0.432 210 V N 0.007 119.913 119.914 -0.014 0.000 2.287 210 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 210 V C 2.540 178.649 176.094 0.024 0.000 1.053 210 V CA 2.321 64.624 62.300 0.005 0.000 1.027 210 V CB -0.443 31.384 31.823 0.007 0.000 0.646 210 V HN 0.456 nan 8.190 nan 0.000 0.447 211 I N 0.191 120.780 120.570 0.032 0.000 2.163 211 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 211 I C 2.666 178.813 176.117 0.051 0.000 1.085 211 I CA 1.661 62.987 61.300 0.044 0.000 1.347 211 I CB -0.659 37.373 38.000 0.054 0.000 1.044 211 I HN 0.317 nan 8.210 nan 0.000 0.408 212 A N 0.131 122.978 122.820 0.046 0.000 1.902 212 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 212 A C 2.259 179.882 177.584 0.064 0.000 1.181 212 A CA 1.637 53.700 52.037 0.045 0.000 0.623 212 A CB -0.649 18.355 19.000 0.006 0.000 0.818 212 A HN 0.487 nan 8.150 nan 0.000 0.443 213 Q N -0.760 119.066 119.800 0.045 0.000 2.084 213 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 213 Q C 2.456 178.520 176.000 0.107 0.000 0.978 213 Q CA 1.337 57.184 55.803 0.073 0.000 0.844 213 Q CB -0.381 28.380 28.738 0.038 0.000 0.898 213 Q HN 0.692 nan 8.270 nan 0.000 0.426 214 A N 0.298 123.166 122.820 0.081 0.000 1.902 214 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 214 A C 2.318 179.956 177.584 0.091 0.000 1.181 214 A CA 1.381 53.468 52.037 0.084 0.000 0.623 214 A CB -0.669 18.368 19.000 0.061 0.000 0.818 214 A HN 0.210 nan 8.150 nan 0.000 0.443 215 V N -0.668 119.297 119.914 0.085 0.000 2.307 215 V HA -0.248 3.871 4.120 -0.000 0.000 0.245 215 V C 2.453 178.603 176.094 0.093 0.000 1.045 215 V CA 2.432 64.776 62.300 0.073 0.000 1.024 215 V CB -0.987 30.875 31.823 0.065 0.000 0.651 215 V HN 0.844 nan 8.190 nan 0.000 0.449 216 H N 1.040 120.134 119.070 0.039 0.000 2.319 216 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 216 H C 1.981 177.341 175.328 0.053 0.000 1.092 216 H CA 2.117 58.191 56.048 0.044 0.000 1.302 216 H CB -0.021 29.770 29.762 0.049 0.000 1.373 216 H HN 0.329 nan 8.280 nan 0.000 0.497 217 N N 0.150 118.915 118.700 0.109 0.000 2.521 217 N HA -0.092 4.647 4.740 -0.000 0.000 0.188 217 N C 0.654 176.271 175.510 0.178 0.000 1.146 217 N CA 0.492 53.590 53.050 0.080 0.000 0.893 217 N CB -0.122 38.398 38.487 0.054 0.000 0.975 217 N HN 0.435 nan 8.380 nan 0.000 0.451 218 N N -0.015 118.740 118.700 0.092 0.000 2.235 218 N HA 0.110 4.850 4.740 -0.000 0.000 0.209 218 N C 0.551 176.057 175.510 -0.005 0.000 1.122 218 N CA 0.284 53.366 53.050 0.054 0.000 0.845 218 N CB 0.107 38.611 38.487 0.029 0.000 1.004 218 N HN 0.132 nan 8.380 nan 0.000 0.499 219 G N -0.866 107.907 108.800 -0.046 0.000 2.176 219 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.252 219 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.252 219 G C 0.465 175.338 174.900 -0.046 0.000 1.024 219 G CA 0.261 45.319 45.100 -0.070 0.000 0.755 219 G HN 0.620 nan 8.290 nan 0.000 0.507 220 G N -1.121 107.660 108.800 -0.031 0.000 2.583 220 G HA2 0.706 4.666 3.960 -0.000 0.000 0.280 220 G HA3 0.706 4.666 3.960 -0.000 0.000 0.280 220 G C -0.156 174.754 174.900 0.017 0.000 1.376 220 G CA -0.984 44.117 45.100 0.001 0.000 1.043 220 G HN 0.677 nan 8.290 nan 0.000 0.538 221 I N 0.438 121.031 120.570 0.038 0.000 2.410 221 I HA 0.295 4.464 4.170 -0.000 0.000 0.286 221 I C -0.179 175.981 176.117 0.071 0.000 1.009 221 I CA -0.585 60.743 61.300 0.047 0.000 1.111 221 I CB 1.831 39.859 38.000 0.047 0.000 1.262 221 I HN 0.037 nan 8.210 nan 0.000 0.443 226 V N 0.064 119.931 119.914 -0.079 0.000 3.130 226 V HA 0.503 4.622 4.120 -0.000 0.000 0.310 226 V C 0.290 176.344 176.094 -0.066 0.000 1.158 226 V CA -0.652 61.593 62.300 -0.092 0.000 1.029 226 V CB 1.901 33.666 31.823 -0.096 0.000 1.057 226 V HN 0.948 nan 8.190 nan 0.000 0.436 227 Q N 1.262 121.023 119.800 -0.065 0.000 2.187 227 Q HA 0.109 4.449 4.340 -0.000 0.000 0.199 227 Q C 0.425 176.405 176.000 -0.034 0.000 0.957 227 Q CA 1.746 57.524 55.803 -0.042 0.000 0.857 227 Q CB 0.295 29.010 28.738 -0.038 0.000 0.929 227 Q HN 0.934 nan 8.270 nan 0.000 0.453 231 K N 1.678 122.077 120.400 -0.002 0.000 2.448 231 K HA 0.154 4.474 4.320 -0.000 0.000 0.278 231 K C 0.393 176.987 176.600 -0.010 0.000 1.009 231 K CA -0.104 56.181 56.287 -0.005 0.000 0.995 231 K CB 0.487 32.981 32.500 -0.009 0.000 0.917 231 K HN 0.879 nan 8.250 nan 0.000 0.481 232 K N 2.945 123.340 120.400 -0.008 0.000 2.548 232 K HA -0.194 4.125 4.320 -0.000 0.000 0.277 232 K C 0.013 176.580 176.600 -0.054 0.000 1.001 232 K CA 1.091 57.365 56.287 -0.022 0.000 1.102 232 K CB -0.044 32.447 32.500 -0.015 0.000 0.848 232 K HN 0.828 nan 8.250 nan 0.000 0.487 233 A N 2.496 125.256 122.820 -0.099 0.000 2.832 233 A HA -0.186 4.134 4.320 -0.000 0.000 0.280 233 A C 0.883 178.413 177.584 -0.090 0.000 1.464 233 A CA 1.837 53.794 52.037 -0.133 0.000 0.804 233 A CB -2.558 16.361 19.000 -0.135 0.000 1.020 233 A HN 1.008 nan 8.150 nan 0.000 0.563 234 T N -2.723 111.796 114.554 -0.059 0.000 3.040 234 T HA 0.557 4.907 4.350 -0.000 0.000 0.250 234 T C 0.554 175.239 174.700 -0.024 0.000 1.058 234 T CA 0.402 62.479 62.100 -0.039 0.000 0.988 234 T CB -0.119 68.735 68.868 -0.023 0.000 0.993 234 T HN 0.544 nan 8.240 nan 0.000 0.519 235 L N 2.062 123.272 121.223 -0.021 0.000 2.399 235 L HA 0.367 4.707 4.340 -0.000 0.000 0.266 235 L C 0.783 177.666 176.870 0.022 0.000 1.114 235 L CA -1.149 53.702 54.840 0.018 0.000 0.804 235 L CB 0.420 42.501 42.059 0.036 0.000 1.146 235 L HN 0.279 nan 8.230 nan 0.000 0.451 236 H N 4.907 123.968 119.070 -0.015 0.000 2.975 236 H HA 0.047 4.603 4.556 -0.000 0.000 0.303 236 H C -1.691 173.627 175.328 -0.016 0.000 1.023 236 H CA -1.525 54.512 56.048 -0.018 0.000 1.473 236 H CB 1.373 31.127 29.762 -0.013 0.000 1.498 236 H HN 0.362 nan 8.280 nan 0.000 0.549 237 P HA -0.156 nan 4.420 nan 0.000 0.217 237 P C 0.798 178.182 177.300 0.141 0.000 1.148 237 P CA 1.359 64.475 63.100 0.027 0.000 0.828 237 P CB 0.361 32.021 31.700 -0.068 0.000 0.783 238 K N -0.508 120.095 120.400 0.337 0.000 2.432 238 K HA 0.075 4.395 4.320 -0.000 0.000 0.196 238 K C 1.911 178.554 176.600 0.073 0.000 1.038 238 K CA 0.691 57.085 56.287 0.178 0.000 0.986 238 K CB -0.091 32.501 32.500 0.153 0.000 0.782 238 K HN 0.092 nan 8.250 nan 0.000 0.485 239 S N 0.533 116.299 115.700 0.111 0.000 2.503 239 S HA 0.042 4.512 4.470 -0.000 0.000 0.217 239 S C 0.583 175.230 174.600 0.078 0.000 0.999 239 S CA -0.105 58.130 58.200 0.058 0.000 0.914 239 S CB 0.366 63.601 63.200 0.060 0.000 0.782 239 S HN -0.056 nan 8.310 nan 0.000 0.520 240 V N 3.812 123.780 119.914 0.090 0.000 2.479 240 V HA 0.162 4.282 4.120 -0.000 0.000 0.281 240 V C 1.160 177.279 176.094 0.041 0.000 1.031 240 V CA 0.130 62.491 62.300 0.102 0.000 1.038 240 V CB 0.660 32.565 31.823 0.137 0.000 0.981 240 V HN 0.311 nan 8.190 nan 0.000 0.478 241 R N 4.014 124.548 120.500 0.056 0.000 2.225 241 R HA 0.399 4.739 4.340 -0.000 0.000 0.194 241 R C 0.072 176.340 176.300 -0.054 0.000 0.957 241 R CA 0.496 56.542 56.100 -0.091 0.000 1.042 241 R CB 0.599 30.703 30.300 -0.327 0.000 1.004 241 R HN 0.535 nan 8.270 nan 0.000 0.509 242 I N 4.113 124.703 120.570 0.033 0.000 2.439 242 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 242 I C -2.447 173.529 176.117 -0.236 0.000 1.021 242 I CA -2.449 58.804 61.300 -0.078 0.000 1.091 242 I CB 2.503 40.505 38.000 0.004 0.000 1.242 242 I HN -0.282 nan 8.210 nan 0.000 0.439 243 P HA 0.088 nan 4.420 nan 0.000 0.275 243 P C 0.911 177.447 177.300 -1.274 0.000 1.227 243 P CA -0.053 62.492 63.100 -0.925 0.000 0.781 243 P CB 1.153 32.269 31.700 -0.973 0.000 0.906 244 G N 2.442 110.105 108.800 -1.894 0.000 2.448 244 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.219 244 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.219 244 G C 1.007 175.557 174.900 -0.583 0.000 1.127 244 G CA 0.553 45.038 45.100 -1.025 0.000 0.766 244 G HN 0.634 nan 8.290 nan 0.000 0.552 245 Y N -0.127 119.919 120.300 -0.423 0.000 2.571 245 Y HA 0.311 4.861 4.550 -0.000 0.000 0.294 245 Y C 1.979 177.694 175.900 -0.308 0.000 1.141 245 Y CA -0.175 57.780 58.100 -0.241 0.000 1.308 245 Y CB -0.452 37.907 38.460 -0.168 0.000 1.002 245 Y HN 0.114 nan 8.280 nan 0.000 0.551 246 L N 0.263 121.206 121.223 -0.467 0.000 2.492 246 L HA 0.116 4.456 4.340 -0.000 0.000 0.223 246 L C -0.006 176.785 176.870 -0.132 0.000 1.132 246 L CA -0.110 54.515 54.840 -0.359 0.000 0.850 246 L CB 0.046 41.889 42.059 -0.359 0.000 0.966 246 L HN 0.035 nan 8.230 nan 0.000 0.454 247 V N -0.074 119.756 119.914 -0.139 0.000 2.435 247 V HA 0.158 4.277 4.120 -0.000 0.000 0.290 247 V C 0.249 176.327 176.094 -0.026 0.000 1.030 247 V CA -0.439 61.818 62.300 -0.071 0.000 0.881 247 V CB 1.862 33.621 31.823 -0.106 0.000 0.983 247 V HN 0.095 nan 8.190 nan 0.000 0.445 248 D N 3.238 123.634 120.400 -0.006 0.000 2.394 248 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 248 D C 0.261 176.523 176.300 -0.063 0.000 0.990 248 D CA 1.000 54.988 54.000 -0.021 0.000 0.902 248 D CB 1.217 42.009 40.800 -0.014 0.000 1.038 248 D HN 0.392 nan 8.370 nan 0.000 0.499 249 I N 1.181 121.718 120.570 -0.056 0.000 2.569 249 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 249 I C -0.895 175.196 176.117 -0.043 0.000 1.088 249 I CA -0.810 60.449 61.300 -0.067 0.000 1.047 249 I CB 3.263 41.209 38.000 -0.089 0.000 1.237 249 I HN -0.382 nan 8.210 nan 0.000 0.421 250 V N 6.496 126.386 119.914 -0.041 0.000 2.483 250 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 250 V C -0.231 175.840 176.094 -0.038 0.000 1.035 250 V CA -0.677 61.599 62.300 -0.039 0.000 0.896 250 V CB 2.198 33.998 31.823 -0.037 0.000 0.986 250 V HN 0.393 nan 8.190 nan 0.000 0.447 251 V N 5.279 125.165 119.914 -0.046 0.000 2.448 251 V HA 0.422 4.541 4.120 -0.000 0.000 0.295 251 V C -0.225 175.842 176.094 -0.045 0.000 1.025 251 V CA -0.645 61.627 62.300 -0.045 0.000 0.859 251 V CB 1.985 33.770 31.823 -0.064 0.000 0.988 251 V HN 0.605 nan 8.190 nan 0.000 0.431 252 V N 3.603 123.496 119.914 -0.034 0.000 2.364 252 V HA 0.336 4.455 4.120 -0.000 0.000 0.272 252 V C -0.220 175.857 176.094 -0.029 0.000 1.036 252 V CA -0.318 61.963 62.300 -0.032 0.000 0.880 252 V CB 1.453 33.262 31.823 -0.024 0.000 0.991 252 V HN 0.926 nan 8.190 nan 0.000 0.460 253 D N 7.099 127.480 120.400 -0.031 0.000 2.472 253 D HA 0.403 5.043 4.640 -0.000 0.000 0.234 253 D C -1.731 174.558 176.300 -0.018 0.000 1.088 253 D CA -2.205 51.781 54.000 -0.023 0.000 0.882 253 D CB 2.171 42.956 40.800 -0.024 0.000 1.037 253 D HN 0.190 nan 8.370 nan 0.000 0.520 254 P HA -0.029 nan 4.420 nan 0.000 0.222 254 P C 0.228 177.525 177.300 -0.005 0.000 1.147 254 P CA 0.738 63.832 63.100 -0.010 0.000 0.790 254 P CB 0.386 32.082 31.700 -0.007 0.000 0.780 255 D N -1.487 118.912 120.400 -0.002 0.000 2.349 255 D HA -0.008 4.632 4.640 -0.000 0.000 0.214 255 D C 0.754 177.059 176.300 0.009 0.000 1.063 255 D CA 0.121 54.123 54.000 0.005 0.000 0.847 255 D CB -0.415 40.389 40.800 0.007 0.000 0.933 255 D HN 0.281 nan 8.370 nan 0.000 0.513 256 Q N 1.759 121.560 119.800 0.003 0.000 2.320 256 Q HA 0.007 4.347 4.340 -0.000 0.000 0.311 256 Q C -0.256 175.751 176.000 0.011 0.000 1.083 256 Q CA 0.232 56.038 55.803 0.005 0.000 1.001 256 Q CB 0.375 29.105 28.738 -0.013 0.000 1.074 256 Q HN 0.079 nan 8.270 nan 0.000 0.379 257 S N 2.381 118.096 115.700 0.025 0.000 2.568 257 S HA 0.224 4.693 4.470 -0.000 0.000 0.302 257 S C 0.503 175.114 174.600 0.018 0.000 1.082 257 S CA -0.842 57.374 58.200 0.027 0.000 1.009 257 S CB 1.851 65.077 63.200 0.044 0.000 1.069 257 S HN 0.815 nan 8.310 nan 0.000 0.500 258 Q N 0.067 119.875 119.800 0.014 0.000 2.135 258 Q HA 0.056 4.395 4.340 -0.000 0.000 0.204 258 Q C -0.105 175.883 176.000 -0.021 0.000 0.981 258 Q CA 1.323 57.128 55.803 0.002 0.000 0.856 258 Q CB -0.335 28.410 28.738 0.012 0.000 0.902 258 Q HN 0.622 nan 8.270 nan 0.000 0.425 259 L N -2.058 119.158 121.223 -0.012 0.000 2.303 259 L HA 0.355 4.695 4.340 -0.000 0.000 0.256 259 L C -0.592 176.299 176.870 0.035 0.000 1.034 259 L CA -1.313 53.497 54.840 -0.051 0.000 0.832 259 L CB 1.031 43.077 42.059 -0.023 0.000 1.403 259 L HN 0.008 nan 8.230 nan 0.000 0.419 260 Y N 0.169 120.484 120.300 0.026 0.000 2.788 260 Y HA 0.170 4.720 4.550 -0.000 0.000 0.341 260 Y C 1.415 177.327 175.900 0.020 0.000 1.258 260 Y CA 0.944 59.058 58.100 0.023 0.000 1.503 260 Y CB 0.445 38.920 38.460 0.025 0.000 1.325 260 Y HN 0.832 nan 8.280 nan 0.000 0.614 261 G N 0.335 109.248 108.800 0.189 0.000 2.211 261 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.201 261 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.201 261 G C 0.769 175.711 174.900 0.069 0.000 0.997 261 G CA -0.113 45.048 45.100 0.101 0.000 0.652 261 G HN 1.672 nan 8.290 nan 0.000 0.500 262 G N -0.154 108.690 108.800 0.074 0.000 2.168 262 G HA2 0.154 4.114 3.960 -0.000 0.000 0.257 262 G HA3 0.154 4.114 3.960 -0.000 0.000 0.257 262 G C 0.913 175.836 174.900 0.039 0.000 0.997 262 G CA 1.246 46.376 45.100 0.050 0.000 0.708 262 G HN 2.310 nan 8.290 nan 0.000 0.520 263 A N 0.693 123.538 122.820 0.043 0.000 2.445 263 A HA 0.621 4.941 4.320 -0.000 0.000 0.242 263 A C -0.439 177.164 177.584 0.031 0.000 1.075 263 A CA -0.219 51.839 52.037 0.036 0.000 0.777 263 A CB 0.212 19.235 19.000 0.039 0.000 1.013 263 A HN 0.372 nan 8.150 nan 0.000 0.493 264 P HA 0.140 nan 4.420 nan 0.000 0.271 264 P C -0.237 177.079 177.300 0.026 0.000 1.233 264 P CA -0.308 62.805 63.100 0.022 0.000 0.789 264 P CB 0.232 31.942 31.700 0.017 0.000 0.951 265 V N 2.626 122.553 119.914 0.022 0.000 2.617 265 V HA -0.053 4.066 4.120 -0.000 0.000 0.304 265 V C 1.133 177.247 176.094 0.033 0.000 1.040 265 V CA 0.403 62.718 62.300 0.026 0.000 1.149 265 V CB -0.571 31.263 31.823 0.019 0.000 0.914 265 V HN 0.628 nan 8.190 nan 0.000 0.487 266 N N 5.285 124.016 118.700 0.052 0.000 2.444 266 N HA 0.231 4.971 4.740 -0.000 0.000 0.262 266 N C 0.861 176.416 175.510 0.076 0.000 0.974 266 N CA -0.638 52.462 53.050 0.082 0.000 0.933 266 N CB 1.156 39.719 38.487 0.126 0.000 1.137 266 N HN 0.460 nan 8.380 nan 0.000 0.498 267 R N 2.864 123.370 120.500 0.011 0.000 2.276 267 R HA 0.014 4.354 4.340 -0.000 0.000 0.203 267 R C 0.914 177.233 176.300 0.033 0.000 1.017 267 R CA 0.452 56.571 56.100 0.032 0.000 1.010 267 R CB -0.258 30.120 30.300 0.130 0.000 0.900 267 R HN 0.542 nan 8.270 nan 0.000 0.469 268 F N 0.718 120.760 119.950 0.154 0.000 2.146 268 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 268 F C 2.291 178.126 175.800 0.057 0.000 1.096 268 F CA 0.791 58.861 58.000 0.116 0.000 1.275 268 F CB -0.554 38.488 39.000 0.071 0.000 1.008 268 F HN -0.130 nan 8.300 nan 0.000 0.480 269 I N -0.716 119.989 120.570 0.224 0.000 2.286 269 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 269 I C 2.250 178.402 176.117 0.059 0.000 1.115 269 I CA 1.214 62.581 61.300 0.111 0.000 1.392 269 I CB -0.549 37.501 38.000 0.084 0.000 1.065 269 I HN 0.015 nan 8.210 nan 0.000 0.418 270 S N 0.223 115.956 115.700 0.056 0.000 2.442 270 S HA -0.055 4.415 4.470 -0.000 0.000 0.236 270 S C 1.668 176.266 174.600 -0.004 0.000 1.007 270 S CA 1.078 59.290 58.200 0.020 0.000 0.965 270 S CB -0.160 63.052 63.200 0.019 0.000 0.773 270 S HN 0.747 nan 8.310 nan 0.000 0.504 271 G N 1.106 109.914 108.800 0.013 0.000 2.157 271 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.239 271 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.239 271 G C 0.273 175.126 174.900 -0.078 0.000 0.982 271 G CA 0.320 45.412 45.100 -0.013 0.000 0.650 271 G HN 0.460 nan 8.290 nan 0.000 0.527 272 D N -0.624 119.689 120.400 -0.145 0.000 2.333 272 D HA 0.268 4.907 4.640 -0.000 0.000 0.208 272 D C 0.536 176.356 176.300 -0.800 0.000 0.984 272 D CA 0.785 54.517 54.000 -0.447 0.000 0.873 272 D CB 0.201 40.690 40.800 -0.518 0.000 0.935 272 D HN 0.415 nan 8.370 nan 0.000 0.521 273 F N -0.450 119.438 119.950 -0.104 0.000 2.599 273 F HA 0.304 4.831 4.527 -0.000 0.000 0.311 273 F C 0.226 176.119 175.800 0.155 0.000 1.076 273 F CA -0.960 56.991 58.000 -0.081 0.000 0.937 273 F CB 1.731 40.502 39.000 -0.383 0.000 1.282 273 F HN -0.519 nan 8.300 nan 0.000 0.460 274 T N 3.301 118.090 114.554 0.392 0.000 2.733 274 T HA 0.390 4.739 4.350 -0.000 0.000 0.294 274 T C -0.433 174.501 174.700 0.389 0.000 0.956 274 T CA -0.353 61.937 62.100 0.318 0.000 0.987 274 T CB 0.634 69.600 68.868 0.164 0.000 0.920 274 T HN 0.410 nan 8.240 nan 0.000 0.470 275 L N 3.896 125.247 121.223 0.212 0.000 2.453 275 L HA 0.296 4.636 4.340 -0.000 0.000 0.272 275 L C 0.425 177.254 176.870 -0.069 0.000 1.182 275 L CA 0.117 54.849 54.840 -0.180 0.000 0.858 275 L CB 0.542 42.328 42.059 -0.456 0.000 1.120 275 L HN 0.541 nan 8.230 nan 0.000 0.474 284 P HA 0.087 nan 4.420 nan 0.000 0.271 284 P C -0.330 176.958 177.300 -0.021 0.000 1.216 284 P CA -0.255 62.837 63.100 -0.013 0.000 0.776 284 P CB 1.555 33.249 31.700 -0.010 0.000 0.881 285 L N 3.916 125.128 121.223 -0.018 0.000 2.448 285 L HA 0.046 4.386 4.340 -0.000 0.000 0.278 285 L C 0.437 177.294 176.870 -0.022 0.000 1.201 285 L CA -0.050 54.773 54.840 -0.028 0.000 1.036 285 L CB -0.784 41.263 42.059 -0.019 0.000 1.325 285 L HN 0.534 nan 8.230 nan 0.000 0.441 286 N N 1.313 119.994 118.700 -0.031 0.000 2.815 286 N HA 0.122 4.862 4.740 -0.000 0.000 0.315 286 N C 0.408 175.896 175.510 -0.036 0.000 1.320 286 N CA -0.806 52.230 53.050 -0.023 0.000 0.846 286 N CB 0.406 38.883 38.487 -0.017 0.000 1.344 286 N HN 0.294 nan 8.380 nan 0.000 0.593 287 Q N -0.282 119.505 119.800 -0.022 0.000 2.096 287 Q HA -0.179 4.160 4.340 -0.000 0.000 0.208 287 Q C 1.549 177.520 176.000 -0.048 0.000 0.993 287 Q CA 1.848 57.636 55.803 -0.024 0.000 0.862 287 Q CB 0.004 28.737 28.738 -0.008 0.000 0.915 287 Q HN 0.530 nan 8.270 nan 0.000 0.416 288 R N 0.012 120.484 120.500 -0.047 0.000 2.073 288 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 288 R C 2.456 178.707 176.300 -0.083 0.000 1.134 288 R CA 1.532 57.597 56.100 -0.058 0.000 0.952 288 R CB -0.223 30.049 30.300 -0.046 0.000 0.850 288 R HN 0.170 nan 8.270 nan 0.000 0.433 289 K N 1.046 121.395 120.400 -0.085 0.000 2.097 289 K HA -0.092 4.227 4.320 -0.000 0.000 0.205 289 K C 2.143 178.645 176.600 -0.163 0.000 1.050 289 K CA 0.826 57.048 56.287 -0.109 0.000 0.938 289 K CB -0.073 32.375 32.500 -0.087 0.000 0.718 289 K HN 0.145 nan 8.250 nan 0.000 0.442 290 L N 0.945 122.061 121.223 -0.178 0.000 2.012 290 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 290 L C 2.148 178.854 176.870 -0.272 0.000 1.073 290 L CA 1.487 56.160 54.840 -0.278 0.000 0.748 290 L CB -0.280 41.621 42.059 -0.263 0.000 0.891 290 L HN 0.074 nan 8.230 nan 0.000 0.431 291 V N 0.116 119.925 119.914 -0.175 0.000 2.295 291 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 291 V C 2.829 178.820 176.094 -0.170 0.000 1.049 291 V CA 1.672 63.890 62.300 -0.136 0.000 1.024 291 V CB -1.014 30.772 31.823 -0.061 0.000 0.648 291 V HN 0.589 nan 8.190 nan 0.000 0.447 292 A N -0.124 122.593 122.820 -0.172 0.000 1.908 292 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 292 A C 2.371 179.802 177.584 -0.255 0.000 1.181 292 A CA 2.120 54.035 52.037 -0.203 0.000 0.627 292 A CB -0.547 18.355 19.000 -0.164 0.000 0.818 292 A HN 0.510 nan 8.150 nan 0.000 0.445 293 R N -1.408 118.922 120.500 -0.283 0.000 2.073 293 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 293 R C 2.481 178.423 176.300 -0.597 0.000 1.134 293 R CA 1.696 57.572 56.100 -0.373 0.000 0.952 293 R CB -0.246 29.831 30.300 -0.373 0.000 0.850 293 R HN 0.428 nan 8.270 nan 0.000 0.433 294 R N 0.871 121.008 120.500 -0.606 0.000 2.115 294 R HA 0.015 4.355 4.340 -0.000 0.000 0.226 294 R C 1.881 177.975 176.300 -0.344 0.000 1.100 294 R CA 1.637 57.312 56.100 -0.707 0.000 0.980 294 R CB -0.603 29.423 30.300 -0.456 0.000 0.875 294 R HN 0.233 nan 8.270 nan 0.000 0.445 295 A N 0.541 123.240 122.820 -0.201 0.000 1.902 295 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 295 A C 2.012 179.586 177.584 -0.017 0.000 1.181 295 A CA 1.477 53.500 52.037 -0.024 0.000 0.623 295 A CB -0.701 18.216 19.000 -0.139 0.000 0.818 295 A HN 0.358 nan 8.150 nan 0.000 0.443 296 L N -1.467 119.647 121.223 -0.182 0.000 2.191 296 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 296 L C 1.828 178.700 176.870 0.003 0.000 1.103 296 L CA 1.504 56.255 54.840 -0.147 0.000 0.769 296 L CB -0.719 41.213 42.059 -0.212 0.000 0.908 296 L HN 0.339 nan 8.230 nan 0.000 0.438 297 F N -0.107 119.652 119.950 -0.318 0.000 2.408 297 F HA -0.080 4.446 4.527 -0.000 0.000 0.300 297 F C 1.730 177.554 175.800 0.040 0.000 1.090 297 F CA 0.192 58.093 58.000 -0.166 0.000 1.427 297 F CB -0.688 38.230 39.000 -0.137 0.000 1.070 297 F HN 0.170 nan 8.300 nan 0.000 0.549 301 K N 0.494 120.936 120.400 0.069 0.000 2.484 301 K HA 0.184 4.504 4.320 -0.000 0.000 0.280 301 K C 0.986 177.641 176.600 0.091 0.000 1.013 301 K CA 1.692 58.034 56.287 0.093 0.000 1.029 301 K CB 0.189 32.717 32.500 0.045 0.000 0.902 301 K HN 0.849 nan 8.250 nan 0.000 0.481 302 G N 1.270 110.143 108.800 0.121 0.000 2.184 302 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 302 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 302 G C 0.206 175.176 174.900 0.116 0.000 0.975 302 G CA 0.167 45.328 45.100 0.101 0.000 0.642 302 G HN 0.842 nan 8.290 nan 0.000 0.536 303 A N -0.357 122.548 122.820 0.142 0.000 2.425 303 A HA 0.652 4.972 4.320 -0.000 0.000 0.249 303 A C 0.489 178.172 177.584 0.165 0.000 1.084 303 A CA 0.388 52.495 52.037 0.117 0.000 0.781 303 A CB 0.970 20.007 19.000 0.061 0.000 1.019 303 A HN 1.164 nan 8.150 nan 0.000 0.490 304 V N 2.410 122.405 119.914 0.135 0.000 2.370 304 V HA 0.649 4.769 4.120 -0.000 0.000 0.279 304 V C 0.841 177.004 176.094 0.115 0.000 1.029 304 V CA 0.357 62.758 62.300 0.168 0.000 0.870 304 V CB 0.863 32.826 31.823 0.235 0.000 0.984 304 V HN 1.198 nan 8.190 nan 0.000 0.451 305 G N 3.235 112.118 108.800 0.138 0.000 2.730 305 G HA2 0.579 4.538 3.960 -0.000 0.000 0.289 305 G HA3 0.579 4.538 3.960 -0.000 0.000 0.289 305 G C -1.411 173.536 174.900 0.079 0.000 1.341 305 G CA -0.644 44.501 45.100 0.075 0.000 0.932 305 G HN 0.571 nan 8.290 nan 0.000 0.481 306 N N -0.565 118.155 118.700 0.033 0.000 2.336 306 N HA 0.408 5.148 4.740 -0.000 0.000 0.290 306 N C -1.688 173.888 175.510 0.111 0.000 1.058 306 N CA -0.291 52.780 53.050 0.035 0.000 0.865 306 N CB 2.482 40.895 38.487 -0.123 0.000 1.581 306 N HN 0.239 nan 8.380 nan 0.000 0.480 307 V N 1.954 121.940 119.914 0.119 0.000 2.384 307 V HA 0.579 4.699 4.120 -0.000 0.000 0.287 307 V C 1.226 177.369 176.094 0.081 0.000 1.020 307 V CA -0.766 61.606 62.300 0.119 0.000 0.850 307 V CB 1.060 32.906 31.823 0.039 0.000 0.987 307 V HN 0.706 nan 8.190 nan 0.000 0.436 308 G N 3.152 112.005 108.800 0.089 0.000 2.572 308 G HA2 0.446 4.405 3.960 -0.000 0.000 0.261 308 G HA3 0.446 4.405 3.960 -0.000 0.000 0.261 308 G C -0.157 174.786 174.900 0.073 0.000 1.197 308 G CA -0.488 44.665 45.100 0.089 0.000 0.870 308 G HN 0.561 nan 8.290 nan 0.000 0.548 309 V N 1.031 120.988 119.914 0.072 0.000 2.673 309 V HA 0.517 4.636 4.120 -0.000 0.000 0.303 309 V C 1.189 177.315 176.094 0.053 0.000 1.046 309 V CA 1.666 64.000 62.300 0.056 0.000 1.126 309 V CB 0.085 31.944 31.823 0.060 0.000 0.934 309 V HN 1.611 nan 8.190 nan 0.000 0.487 310 G N 3.403 112.219 108.800 0.027 0.000 2.278 310 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.265 310 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.265 310 G C 0.279 175.170 174.900 -0.014 0.000 1.329 310 G CA -0.212 44.892 45.100 0.006 0.000 1.017 310 G HN 0.686 nan 8.290 nan 0.000 0.472 311 I N 0.828 121.377 120.570 -0.034 0.000 2.423 311 I HA 0.081 4.251 4.170 -0.000 0.000 0.254 311 I C 2.363 178.453 176.117 -0.046 0.000 1.151 311 I CA 2.436 63.709 61.300 -0.044 0.000 1.421 311 I CB -0.076 37.886 38.000 -0.063 0.000 1.079 311 I HN 0.727 nan 8.210 nan 0.000 0.431 312 A N 0.119 122.916 122.820 -0.039 0.000 2.387 312 A HA 0.013 4.333 4.320 -0.000 0.000 0.234 312 A C 1.216 178.740 177.584 -0.100 0.000 1.253 312 A CA 0.452 52.442 52.037 -0.078 0.000 0.894 312 A CB -0.469 18.490 19.000 -0.070 0.000 0.963 312 A HN 0.604 nan 8.150 nan 0.000 0.508 313 D N -0.967 119.401 120.400 -0.054 0.000 2.371 313 D HA 0.071 4.711 4.640 -0.000 0.000 0.234 313 D C 1.129 177.400 176.300 -0.049 0.000 1.049 313 D CA 0.859 54.833 54.000 -0.043 0.000 0.907 313 D CB -0.451 40.344 40.800 -0.007 0.000 0.891 313 D HN 0.196 nan 8.370 nan 0.000 0.531 314 G N 0.152 108.913 108.800 -0.066 0.000 3.088 314 G HA2 0.022 3.981 3.960 -0.000 0.000 0.217 314 G HA3 0.022 3.981 3.960 -0.000 0.000 0.217 314 G C 1.249 176.105 174.900 -0.073 0.000 1.159 314 G CA -0.181 44.884 45.100 -0.058 0.000 0.760 314 G HN 0.370 nan 8.290 nan 0.000 0.550 315 I N 1.055 121.552 120.570 -0.122 0.000 2.248 315 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 315 I C 2.593 178.691 176.117 -0.031 0.000 1.107 315 I CA 1.634 62.842 61.300 -0.153 0.000 1.373 315 I CB -0.016 37.772 38.000 -0.353 0.000 1.055 315 I HN 0.170 nan 8.210 nan 0.000 0.418 316 G N 0.921 109.727 108.800 0.010 0.000 2.446 316 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 316 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 316 G C 1.604 176.529 174.900 0.041 0.000 1.168 316 G CA 0.969 46.111 45.100 0.070 0.000 0.771 316 G HN 0.441 nan 8.290 nan 0.000 0.551 317 L N 0.173 121.401 121.223 0.007 0.000 2.093 317 L HA -0.069 4.270 4.340 -0.000 0.000 0.208 317 L C 2.994 179.869 176.870 0.007 0.000 1.085 317 L CA 0.394 55.234 54.840 -0.000 0.000 0.755 317 L CB -0.474 41.576 42.059 -0.014 0.000 0.904 317 L HN 0.096 nan 8.230 nan 0.000 0.435 318 V N 0.160 120.074 119.914 -0.001 0.000 2.343 318 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 318 V C 2.778 178.906 176.094 0.056 0.000 1.051 318 V CA 1.759 64.059 62.300 0.001 0.000 1.036 318 V CB -0.854 30.940 31.823 -0.049 0.000 0.654 318 V HN 0.471 nan 8.190 nan 0.000 0.451 319 A N 0.056 122.940 122.820 0.106 0.000 1.902 319 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 319 A C 2.440 180.103 177.584 0.132 0.000 1.181 319 A CA 1.945 54.105 52.037 0.205 0.000 0.623 319 A CB -0.587 18.655 19.000 0.403 0.000 0.818 319 A HN 0.416 nan 8.150 nan 0.000 0.443 320 R N 0.023 120.564 120.500 0.070 0.000 2.073 320 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 320 R C 2.113 178.434 176.300 0.036 0.000 1.134 320 R CA 1.959 58.076 56.100 0.029 0.000 0.952 320 R CB -0.481 29.821 30.300 0.004 0.000 0.850 320 R HN 0.740 nan 8.270 nan 0.000 0.433 321 E N 0.056 120.279 120.200 0.038 0.000 2.118 321 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 321 E C 1.074 177.709 176.600 0.060 0.000 0.992 321 E CA 1.154 57.576 56.400 0.037 0.000 0.804 321 E CB 0.169 29.885 29.700 0.026 0.000 0.741 321 E HN 0.308 nan 8.360 nan 0.000 0.458 322 E N -0.876 119.382 120.200 0.095 0.000 2.489 322 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 322 E C 1.045 177.713 176.600 0.114 0.000 1.057 322 E CA 0.703 57.185 56.400 0.137 0.000 0.866 322 E CB 0.732 30.577 29.700 0.241 0.000 0.916 322 E HN 0.445 nan 8.360 nan 0.000 0.500 323 G N 1.821 110.670 108.800 0.082 0.000 2.147 323 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.244 323 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.244 323 G C 0.873 175.804 174.900 0.052 0.000 1.005 323 G CA 0.469 45.598 45.100 0.050 0.000 0.713 323 G HN 0.421 nan 8.290 nan 0.000 0.515 324 C N -2.057 117.303 119.300 0.101 0.000 3.115 324 C HA 0.820 5.280 4.460 -0.000 0.000 0.277 324 C C 2.412 177.445 174.990 0.072 0.000 1.460 324 C CA 0.273 59.364 59.018 0.121 0.000 1.789 324 C CB -0.166 27.700 27.740 0.209 0.000 2.674 324 C HN 1.261 nan 8.230 nan 0.000 0.582 325 A N 1.363 124.151 122.820 -0.052 0.000 1.972 325 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 325 A C 1.647 178.933 177.584 -0.498 0.000 1.169 325 A CA 2.097 53.946 52.037 -0.313 0.000 0.635 325 A CB -0.430 18.469 19.000 -0.168 0.000 0.810 325 A HN 0.563 nan 8.150 nan 0.000 0.446 326 D N -0.131 120.117 120.400 -0.253 0.000 2.340 326 D HA 0.020 4.659 4.640 -0.000 0.000 0.220 326 D C 0.471 176.675 176.300 -0.160 0.000 1.039 326 D CA 0.349 54.227 54.000 -0.205 0.000 0.866 326 D CB 0.001 40.735 40.800 -0.109 0.000 0.913 326 D HN 0.356 nan 8.370 nan 0.000 0.523 327 D N -0.448 119.873 120.400 -0.132 0.000 2.348 327 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 327 D C 0.601 176.979 176.300 0.130 0.000 0.998 327 D CA 0.247 54.263 54.000 0.027 0.000 0.873 327 D CB 0.433 41.305 40.800 0.121 0.000 0.925 327 D HN 0.302 nan 8.370 nan 0.000 0.524 328 F N -0.821 119.148 119.950 0.032 0.000 2.675 328 F HA 0.643 5.170 4.527 -0.000 0.000 0.324 328 F C -1.156 174.665 175.800 0.035 0.000 1.106 328 F CA -1.743 56.282 58.000 0.040 0.000 0.970 328 F CB 1.138 40.175 39.000 0.061 0.000 1.385 328 F HN -0.328 nan 8.300 nan 0.000 0.489 329 I N 2.038 122.758 120.570 0.250 0.000 2.466 329 I HA 0.552 4.722 4.170 -0.000 0.000 0.289 329 I C -1.662 174.600 176.117 0.241 0.000 1.026 329 I CA -0.926 60.450 61.300 0.125 0.000 1.078 329 I CB 1.751 39.791 38.000 0.065 0.000 1.249 329 I HN 0.642 nan 8.210 nan 0.000 0.429 330 L N 6.721 128.057 121.223 0.189 0.000 2.309 330 L HA 0.669 5.008 4.340 -0.000 0.000 0.282 330 L C 0.025 176.967 176.870 0.120 0.000 1.036 330 L CA -0.562 54.394 54.840 0.193 0.000 0.806 330 L CB 1.797 43.979 42.059 0.205 0.000 1.220 330 L HN 0.681 nan 8.230 nan 0.000 0.429 331 T N -0.192 114.446 114.554 0.139 0.000 2.932 331 T HA 0.761 5.111 4.350 -0.000 0.000 0.289 331 T C -0.490 174.301 174.700 0.151 0.000 1.039 331 T CA -0.754 61.426 62.100 0.135 0.000 1.024 331 T CB 2.080 71.075 68.868 0.213 0.000 1.090 331 T HN 0.183 nan 8.240 nan 0.000 0.496 332 V N 3.061 123.029 119.914 0.090 0.000 2.555 332 V HA 0.358 4.478 4.120 -0.000 0.000 0.302 332 V C 1.636 177.718 176.094 -0.019 0.000 1.038 332 V CA -0.849 61.489 62.300 0.062 0.000 0.887 332 V CB 1.664 33.495 31.823 0.013 0.000 0.991 332 V HN 1.096 nan 8.190 nan 0.000 0.434 333 E N 2.219 122.407 120.200 -0.021 0.000 2.265 333 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 333 E C 1.407 177.733 176.600 -0.457 0.000 0.996 333 E CA 1.799 57.972 56.400 -0.379 0.000 0.832 333 E CB -0.328 29.259 29.700 -0.189 0.000 0.756 333 E HN 0.853 nan 8.360 nan 0.000 0.491 334 T N -3.571 110.884 114.554 -0.165 0.000 3.113 334 T HA 0.416 4.766 4.350 -0.000 0.000 0.256 334 T C 1.427 176.060 174.700 -0.113 0.000 1.131 334 T CA 0.598 62.647 62.100 -0.084 0.000 1.074 334 T CB 0.553 69.414 68.868 -0.011 0.000 0.944 334 T HN 0.397 nan 8.240 nan 0.000 0.516 335 G N 1.196 109.900 108.800 -0.160 0.000 3.288 335 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.195 335 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.195 335 G C -2.676 172.148 174.900 -0.126 0.000 1.093 335 G CA -0.626 44.388 45.100 -0.144 0.000 0.852 335 G HN 0.507 nan 8.290 nan 0.000 0.453 336 P HA 0.523 nan 4.420 nan 0.000 0.268 336 P C -0.312 176.952 177.300 -0.060 0.000 1.205 336 P CA 0.363 63.408 63.100 -0.092 0.000 0.771 336 P CB 0.889 32.544 31.700 -0.076 0.000 0.858 337 I N 2.302 122.837 120.570 -0.058 0.000 2.389 337 I HA 0.522 4.692 4.170 -0.000 0.000 0.288 337 I C 0.941 177.039 176.117 -0.031 0.000 0.999 337 I CA -0.079 61.197 61.300 -0.039 0.000 1.129 337 I CB 1.163 39.126 38.000 -0.063 0.000 1.288 337 I HN 0.605 nan 8.210 nan 0.000 0.444 338 G N 4.214 113.007 108.800 -0.012 0.000 2.645 338 G HA2 0.267 4.227 3.960 -0.000 0.000 0.239 338 G HA3 0.267 4.227 3.960 -0.000 0.000 0.239 338 G C 0.080 174.965 174.900 -0.026 0.000 1.331 338 G CA -0.194 44.892 45.100 -0.023 0.000 0.890 338 G HN 1.671 nan 8.290 nan 0.000 0.572 339 G N -2.064 106.714 108.800 -0.036 0.000 2.603 339 G HA2 0.517 4.477 3.960 -0.000 0.000 0.686 339 G HA3 0.517 4.477 3.960 -0.000 0.000 0.686 339 G C -0.244 174.637 174.900 -0.032 0.000 1.286 339 G CA 0.211 45.294 45.100 -0.029 0.000 0.871 339 G HN 2.470 nan 8.290 nan 0.000 0.568 340 I N -3.270 117.282 120.570 -0.030 0.000 3.042 340 I HA 0.853 5.023 4.170 -0.000 0.000 0.310 340 I C -0.026 176.073 176.117 -0.030 0.000 1.117 340 I CA -1.157 60.123 61.300 -0.034 0.000 1.003 340 I CB 2.335 40.308 38.000 -0.046 0.000 1.228 340 I HN 0.535 nan 8.210 nan 0.000 0.443 341 T N 2.628 117.165 114.554 -0.028 0.000 2.744 341 T HA 0.281 4.631 4.350 -0.000 0.000 0.291 341 T C 0.098 174.774 174.700 -0.041 0.000 0.957 341 T CA -0.205 61.878 62.100 -0.028 0.000 1.002 341 T CB 1.063 69.921 68.868 -0.018 0.000 0.919 341 T HN 0.712 nan 8.240 nan 0.000 0.468 349 A N 0.127 122.949 122.820 0.002 0.000 2.449 349 A HA 0.799 5.119 4.320 -0.000 0.000 0.302 349 A C -0.578 177.007 177.584 0.002 0.000 1.048 349 A CA -0.705 51.332 52.037 -0.000 0.000 0.708 349 A CB 1.207 20.210 19.000 0.004 0.000 1.274 349 A HN 0.194 nan 8.150 nan 0.000 0.410 350 N N -0.488 118.210 118.700 -0.003 0.000 2.476 350 N HA 0.628 5.367 4.740 -0.000 0.000 0.275 350 N C -0.199 175.316 175.510 0.009 0.000 1.190 350 N CA -0.578 52.471 53.050 -0.003 0.000 0.977 350 N CB 1.810 40.292 38.487 -0.009 0.000 1.200 350 N HN 0.648 nan 8.380 nan 0.000 0.515 351 V N -1.167 118.751 119.914 0.008 0.000 3.113 351 V HA 0.524 4.644 4.120 -0.000 0.000 0.316 351 V C -0.033 176.074 176.094 0.023 0.000 1.125 351 V CA -0.975 61.348 62.300 0.038 0.000 1.026 351 V CB 1.647 33.496 31.823 0.043 0.000 1.080 351 V HN 0.782 nan 8.190 nan 0.000 0.444 352 N N 0.239 118.971 118.700 0.054 0.000 2.721 352 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 352 N C 0.392 175.902 175.510 0.000 0.000 1.072 352 N CA 1.372 54.441 53.050 0.032 0.000 0.710 352 N CB -2.010 36.485 38.487 0.013 0.000 0.993 352 N HN 1.387 nan 8.380 nan 0.000 0.547 353 T N -2.941 111.610 114.554 -0.005 0.000 2.856 353 T HA 0.281 4.630 4.350 -0.000 0.000 0.306 353 T C 1.427 176.110 174.700 -0.029 0.000 1.062 353 T CA -0.239 61.846 62.100 -0.025 0.000 1.083 353 T CB 1.508 70.354 68.868 -0.037 0.000 0.984 353 T HN 0.049 nan 8.240 nan 0.000 0.542 354 R N 0.716 121.194 120.500 -0.037 0.000 2.237 354 R HA 0.524 4.863 4.340 -0.000 0.000 0.195 354 R C 0.662 176.935 176.300 -0.044 0.000 0.956 354 R CA 0.596 56.673 56.100 -0.039 0.000 1.029 354 R CB -0.378 29.897 30.300 -0.041 0.000 0.972 354 R HN 0.900 nan 8.270 nan 0.000 0.493 355 A N 0.482 123.272 122.820 -0.051 0.000 2.597 355 A HA 0.632 4.951 4.320 -0.000 0.000 0.292 355 A C -1.517 176.026 177.584 -0.067 0.000 1.057 355 A CA -0.671 51.335 52.037 -0.052 0.000 0.674 355 A CB 1.083 20.048 19.000 -0.059 0.000 1.278 355 A HN 0.060 nan 8.150 nan 0.000 0.416 356 I N 1.798 122.334 120.570 -0.056 0.000 2.497 356 I HA 0.349 4.519 4.170 -0.000 0.000 0.284 356 I C -0.754 175.376 176.117 0.023 0.000 1.060 356 I CA -0.256 60.988 61.300 -0.093 0.000 1.071 356 I CB 1.500 39.339 38.000 -0.269 0.000 1.216 356 I HN 0.519 nan 8.210 nan 0.000 0.442 357 L N 4.729 125.941 121.223 -0.019 0.000 2.416 357 L HA 0.403 4.743 4.340 -0.000 0.000 0.262 357 L C 0.563 177.472 176.870 0.064 0.000 1.093 357 L CA -0.805 54.040 54.840 0.008 0.000 0.801 357 L CB 0.887 42.892 42.059 -0.089 0.000 1.191 357 L HN 0.629 nan 8.230 nan 0.000 0.459 361 S N 1.821 117.502 115.700 -0.032 0.000 2.383 361 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 361 S C 1.993 176.536 174.600 -0.096 0.000 1.030 361 S CA 1.905 60.074 58.200 -0.052 0.000 1.002 361 S CB -0.293 62.870 63.200 -0.062 0.000 0.829 361 S HN 0.424 nan 8.310 nan 0.000 0.467 362 Q N 0.694 120.370 119.800 -0.206 0.000 2.084 362 Q HA -0.020 4.319 4.340 -0.000 0.000 0.202 362 Q C 1.650 177.290 176.000 -0.601 0.000 0.978 362 Q CA 1.694 57.238 55.803 -0.431 0.000 0.844 362 Q CB -0.484 27.884 28.738 -0.616 0.000 0.898 362 Q HN 0.602 nan 8.270 nan 0.000 0.426 363 F N 0.377 120.082 119.950 -0.407 0.000 2.234 363 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 363 F C 1.856 177.377 175.800 -0.465 0.000 1.087 363 F CA 0.945 58.666 58.000 -0.465 0.000 1.340 363 F CB -0.069 38.669 39.000 -0.437 0.000 1.031 363 F HN 0.150 nan 8.300 nan 0.000 0.500 364 D N 0.123 120.466 120.400 -0.094 0.000 2.116 364 D HA -0.252 4.388 4.640 -0.000 0.000 0.193 364 D C 1.992 178.355 176.300 0.105 0.000 0.998 364 D CA 1.409 55.405 54.000 -0.007 0.000 0.836 364 D CB -0.793 40.027 40.800 0.033 0.000 0.951 364 D HN 0.243 nan 8.370 nan 0.000 0.449 365 F N 0.618 120.550 119.950 -0.030 0.000 2.134 365 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 365 F C 2.294 178.224 175.800 0.217 0.000 1.097 365 F CA 1.394 59.430 58.000 0.059 0.000 1.264 365 F CB -0.634 38.374 39.000 0.013 0.000 1.001 365 F HN 0.048 nan 8.300 nan 0.000 0.479 366 Y N -0.651 119.614 120.300 -0.059 0.000 2.145 366 Y HA -0.303 4.247 4.550 -0.000 0.000 0.286 366 Y C 2.748 178.675 175.900 0.046 0.000 1.145 366 Y CA 1.363 59.414 58.100 -0.082 0.000 1.148 366 Y CB -0.818 37.681 38.460 0.065 0.000 0.981 366 Y HN 0.180 nan 8.280 nan 0.000 0.507 367 H N -1.357 117.825 119.070 0.188 0.000 2.421 367 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 367 H C 2.211 177.561 175.328 0.036 0.000 1.087 367 H CA 0.351 56.464 56.048 0.110 0.000 1.330 367 H CB -0.201 29.628 29.762 0.111 0.000 1.388 367 H HN 0.348 nan 8.280 nan 0.000 0.526 368 G N -0.589 108.287 108.800 0.126 0.000 3.026 368 G HA2 0.208 4.168 3.960 -0.000 0.000 0.208 368 G HA3 0.208 4.168 3.960 -0.000 0.000 0.208 368 G C 1.013 175.878 174.900 -0.058 0.000 1.169 368 G CA 0.370 45.490 45.100 0.034 0.000 0.788 368 G HN 0.566 nan 8.290 nan 0.000 0.533 369 G N -0.946 107.793 108.800 -0.101 0.000 2.149 369 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.235 369 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.235 369 G C 1.194 175.921 174.900 -0.289 0.000 1.018 369 G CA 0.344 45.352 45.100 -0.153 0.000 0.728 369 G HN 0.943 nan 8.290 nan 0.000 0.508 370 G N -0.424 108.024 108.800 -0.587 0.000 2.443 370 G HA2 0.212 4.171 3.960 -0.000 0.000 0.219 370 G HA3 0.212 4.171 3.960 -0.000 0.000 0.219 370 G C 0.937 175.487 174.900 -0.583 0.000 1.131 370 G CA 0.590 45.035 45.100 -1.093 0.000 0.775 370 G HN 0.657 nan 8.290 nan 0.000 0.547 371 L N 1.372 122.341 121.223 -0.424 0.000 2.360 371 L HA 0.198 4.538 4.340 -0.000 0.000 0.276 371 L C 0.704 177.470 176.870 -0.174 0.000 1.121 371 L CA -0.702 53.998 54.840 -0.234 0.000 0.845 371 L CB 1.193 43.035 42.059 -0.363 0.000 1.143 371 L HN 0.030 nan 8.230 nan 0.000 0.452 372 D N 1.642 121.984 120.400 -0.096 0.000 2.183 372 D HA -0.012 4.627 4.640 -0.000 0.000 0.203 372 D C 0.279 176.487 176.300 -0.154 0.000 0.969 372 D CA 1.128 55.073 54.000 -0.092 0.000 0.842 372 D CB 0.659 41.439 40.800 -0.033 0.000 0.957 372 D HN 0.222 nan 8.370 nan 0.000 0.484 373 V N 0.356 120.152 119.914 -0.196 0.000 2.969 373 V HA 0.440 4.559 4.120 -0.000 0.000 0.304 373 V C -1.496 174.361 176.094 -0.395 0.000 1.192 373 V CA -0.818 61.284 62.300 -0.330 0.000 0.962 373 V CB 2.043 33.665 31.823 -0.336 0.000 1.045 373 V HN 0.388 nan 8.190 nan 0.000 0.428 374 C N 4.057 123.022 119.300 -0.559 0.000 2.802 374 C HA 0.871 5.330 4.460 -0.000 0.000 0.307 374 C C -1.390 173.183 174.990 -0.695 0.000 1.222 374 C CA -0.951 57.768 59.018 -0.497 0.000 1.580 374 C CB 1.087 28.579 27.740 -0.413 0.000 2.119 374 C HN 0.828 nan 8.230 nan 0.000 0.479 375 Y N 1.713 121.882 120.300 -0.219 0.000 2.326 375 Y HA 0.775 5.324 4.550 -0.000 0.000 0.331 375 Y C 0.008 175.827 175.900 -0.134 0.000 0.962 375 Y CA -0.706 57.285 58.100 -0.182 0.000 1.167 375 Y CB 1.259 39.650 38.460 -0.115 0.000 1.148 375 Y HN 0.622 nan 8.280 nan 0.000 0.463 376 L N 2.100 123.314 121.223 -0.014 0.000 2.388 376 L HA 0.586 4.926 4.340 -0.000 0.000 0.264 376 L C -0.281 176.779 176.870 0.316 0.000 0.998 376 L CA -0.892 54.017 54.840 0.115 0.000 0.817 376 L CB 2.430 44.479 42.059 -0.016 0.000 1.338 376 L HN 0.495 nan 8.230 nan 0.000 0.414 377 S N 1.393 117.278 115.700 0.309 0.000 2.601 377 S HA 0.638 5.108 4.470 -0.000 0.000 0.271 377 S C -0.674 174.134 174.600 0.346 0.000 1.305 377 S CA -0.418 57.906 58.200 0.207 0.000 1.022 377 S CB 0.782 64.020 63.200 0.065 0.000 0.940 377 S HN 0.395 nan 8.310 nan 0.000 0.525 378 F N -1.020 119.022 119.950 0.153 0.000 2.563 378 F HA 0.848 5.375 4.527 -0.000 0.000 0.316 378 F C 0.391 176.127 175.800 -0.107 0.000 1.076 378 F CA -1.276 56.729 58.000 0.009 0.000 0.921 378 F CB 1.104 40.059 39.000 -0.075 0.000 1.209 378 F HN 0.544 nan 8.300 nan 0.000 0.462 379 A N 1.302 124.131 122.820 0.015 0.000 1.920 379 A HA 0.355 4.674 4.320 -0.000 0.000 0.209 379 A C 0.166 177.729 177.584 -0.035 0.000 1.229 379 A CA 0.498 52.407 52.037 -0.215 0.000 0.671 379 A CB -0.208 18.517 19.000 -0.458 0.000 0.886 379 A HN 0.831 nan 8.150 nan 0.000 0.461 380 E N -1.156 119.056 120.200 0.020 0.000 2.340 380 E HA 0.581 4.931 4.350 -0.000 0.000 0.273 380 E C -1.907 174.545 176.600 -0.246 0.000 0.891 380 E CA -0.677 55.695 56.400 -0.047 0.000 0.757 380 E CB 2.731 32.435 29.700 0.006 0.000 1.231 380 E HN 0.036 nan 8.360 nan 0.000 0.439 381 V N 2.034 121.642 119.914 -0.510 0.000 2.709 381 V HA 0.302 4.422 4.120 -0.000 0.000 0.308 381 V C -0.681 175.169 176.094 -0.407 0.000 1.062 381 V CA -0.801 61.093 62.300 -0.676 0.000 0.901 381 V CB 1.944 32.914 31.823 -1.422 0.000 1.003 381 V HN 0.804 nan 8.190 nan 0.000 0.425 382 D N 2.035 122.252 120.400 -0.305 0.000 2.592 382 D HA 0.254 4.893 4.640 -0.000 0.000 0.259 382 D C 0.960 176.823 176.300 -0.729 0.000 1.144 382 D CA -0.561 53.252 54.000 -0.312 0.000 1.080 382 D CB 0.900 41.599 40.800 -0.168 0.000 1.225 382 D HN 0.534 nan 8.370 nan 0.000 0.619 383 Q N -0.984 118.114 119.800 -1.170 0.000 2.226 383 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 383 Q C 0.781 176.215 176.000 -0.944 0.000 0.975 383 Q CA 1.240 56.000 55.803 -1.738 0.000 0.866 383 Q CB -0.479 27.443 28.738 -1.359 0.000 0.915 383 Q HN 0.522 nan 8.270 nan 0.000 0.440 384 H N -0.276 118.558 119.070 -0.392 0.000 2.539 384 H HA 0.207 4.763 4.556 -0.000 0.000 0.267 384 H C 1.155 176.412 175.328 -0.118 0.000 0.982 384 H CA 0.703 56.632 56.048 -0.200 0.000 1.146 384 H CB 0.822 30.497 29.762 -0.144 0.000 1.382 384 H HN 0.599 nan 8.280 nan 0.000 0.577 385 G N 1.344 110.083 108.800 -0.102 0.000 2.179 385 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 385 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 385 G C 0.112 175.129 174.900 0.196 0.000 0.977 385 G CA -0.092 45.036 45.100 0.047 0.000 0.641 385 G HN 0.310 nan 8.290 nan 0.000 0.533 386 N N -0.074 118.674 118.700 0.080 0.000 2.441 386 N HA 0.397 5.137 4.740 -0.000 0.000 0.251 386 N C 0.168 175.729 175.510 0.084 0.000 1.242 386 N CA 0.344 53.466 53.050 0.121 0.000 0.898 386 N CB 1.555 40.072 38.487 0.051 0.000 1.100 386 N HN 0.210 nan 8.380 nan 0.000 0.443 387 V N -0.049 119.986 119.914 0.200 0.000 2.604 387 V HA 0.701 4.821 4.120 -0.000 0.000 0.305 387 V C 0.617 176.755 176.094 0.072 0.000 1.043 387 V CA -0.917 61.381 62.300 -0.003 0.000 0.888 387 V CB 1.902 33.557 31.823 -0.280 0.000 0.995 387 V HN 0.747 nan 8.190 nan 0.000 0.429 388 G N 1.794 110.577 108.800 -0.029 0.000 2.461 388 G HA2 0.575 4.534 3.960 -0.000 0.000 0.323 388 G HA3 0.575 4.534 3.960 -0.000 0.000 0.323 388 G C -0.286 174.528 174.900 -0.144 0.000 1.229 388 G CA -0.265 44.806 45.100 -0.049 0.000 0.941 388 G HN 0.540 nan 8.290 nan 0.000 0.477 389 V N 1.450 121.233 119.914 -0.218 0.000 3.157 389 V HA 0.060 4.180 4.120 -0.000 0.000 0.253 389 V C 1.769 177.750 176.094 -0.187 0.000 1.637 389 V CA 0.753 62.887 62.300 -0.276 0.000 1.058 389 V CB -0.177 31.287 31.823 -0.598 0.000 0.917 389 V HN 0.910 nan 8.190 nan 0.000 0.417 390 H N 0.410 119.341 119.070 -0.231 0.000 2.512 390 H HA 0.201 4.757 4.556 -0.000 0.000 0.279 390 H C 0.511 175.718 175.328 -0.201 0.000 0.999 390 H CA 0.375 56.295 56.048 -0.213 0.000 1.283 390 H CB 0.491 30.020 29.762 -0.388 0.000 1.421 390 H HN 0.280 nan 8.280 nan 0.000 0.554 391 K N -0.074 119.926 120.400 -0.666 0.000 2.468 391 K HA 0.433 4.753 4.320 -0.000 0.000 0.252 391 K C -2.084 174.434 176.600 -0.138 0.000 0.932 391 K CA -0.722 55.326 56.287 -0.399 0.000 0.794 391 K CB 2.743 34.928 32.500 -0.524 0.000 1.241 391 K HN 0.079 nan 8.250 nan 0.000 0.428 392 F N 2.607 122.429 119.950 -0.215 0.000 2.622 392 F HA 0.203 4.730 4.527 -0.000 0.000 0.318 392 F C -0.681 175.056 175.800 -0.106 0.000 1.135 392 F CA -0.547 57.364 58.000 -0.148 0.000 1.015 392 F CB 1.326 40.257 39.000 -0.114 0.000 1.275 392 F HN 0.640 nan 8.300 nan 0.000 0.457 393 N N 3.750 122.007 118.700 -0.740 0.000 2.735 393 N HA -0.183 4.556 4.740 -0.000 0.000 0.248 393 N C 0.727 176.085 175.510 -0.252 0.000 1.083 393 N CA 1.705 54.432 53.050 -0.538 0.000 0.703 393 N CB -1.254 36.934 38.487 -0.498 0.000 1.005 393 N HN 1.500 nan 8.380 nan 0.000 0.550 394 G N -1.878 106.795 108.800 -0.212 0.000 2.155 394 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 394 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 394 G C 0.100 174.933 174.900 -0.112 0.000 0.983 394 G CA 0.990 46.003 45.100 -0.146 0.000 0.676 394 G HN 0.546 nan 8.290 nan 0.000 0.528 395 K N -0.194 120.149 120.400 -0.095 0.000 2.221 395 K HA 0.801 5.120 4.320 -0.000 0.000 0.258 395 K C 0.636 177.199 176.600 -0.063 0.000 0.944 395 K CA -0.740 55.515 56.287 -0.052 0.000 0.823 395 K CB 1.068 33.567 32.500 -0.002 0.000 1.113 395 K HN 0.192 nan 8.250 nan 0.000 0.431 399 T N -2.479 112.355 114.554 0.467 0.000 3.010 399 T HA 0.446 4.796 4.350 -0.000 0.000 0.252 399 T C 2.008 176.927 174.700 0.365 0.000 1.047 399 T CA 1.582 63.926 62.100 0.406 0.000 1.140 399 T CB -0.468 68.663 68.868 0.439 0.000 0.885 399 T HN 2.590 nan 8.240 nan 0.000 0.464 400 G N 1.178 110.183 108.800 0.341 0.000 2.574 400 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.286 400 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.286 400 G C 0.891 175.950 174.900 0.265 0.000 1.212 400 G CA 0.127 45.324 45.100 0.162 0.000 0.979 400 G HN 1.165 nan 8.290 nan 0.000 0.557 401 G N -0.578 108.408 108.800 0.311 0.000 3.141 401 G HA2 0.386 4.346 3.960 -0.000 0.000 0.218 401 G HA3 0.386 4.346 3.960 -0.000 0.000 0.218 401 G C 1.265 176.409 174.900 0.407 0.000 1.170 401 G CA 1.032 46.397 45.100 0.441 0.000 0.769 401 G HN 0.720 nan 8.290 nan 0.000 0.546 402 F N 1.275 121.365 119.950 0.234 0.000 2.087 402 F HA -0.179 4.347 4.527 -0.000 0.000 0.299 402 F C 2.277 178.223 175.800 0.244 0.000 1.100 402 F CA 1.647 59.782 58.000 0.226 0.000 1.226 402 F CB 0.105 39.249 39.000 0.240 0.000 0.983 402 F HN 0.149 nan 8.300 nan 0.000 0.479 403 I N -0.009 120.858 120.570 0.496 0.000 2.353 403 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 403 I C 1.846 178.089 176.117 0.210 0.000 1.119 403 I CA 1.211 62.723 61.300 0.353 0.000 1.417 403 I CB -0.661 37.532 38.000 0.321 0.000 1.078 403 I HN 0.163 nan 8.210 nan 0.000 0.421 404 D N 1.169 121.727 120.400 0.263 0.000 2.178 404 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 404 D C 2.217 178.718 176.300 0.335 0.000 0.980 404 D CA 1.433 55.656 54.000 0.372 0.000 0.842 404 D CB 0.160 41.327 40.800 0.612 0.000 0.948 404 D HN 0.408 nan 8.370 nan 0.000 0.472 405 I N 0.977 121.665 120.570 0.197 0.000 2.494 405 I HA -0.163 4.007 4.170 -0.000 0.000 0.250 405 I C 2.403 178.432 176.117 -0.147 0.000 1.112 405 I CA 0.648 61.934 61.300 -0.025 0.000 1.438 405 I CB 0.026 37.974 38.000 -0.087 0.000 1.111 405 I HN -0.074 nan 8.210 nan 0.000 0.431 406 S N 0.940 116.529 115.700 -0.184 0.000 2.562 406 S HA 0.163 4.633 4.470 -0.000 0.000 0.221 406 S C 1.926 176.585 174.600 0.099 0.000 0.975 406 S CA 0.408 58.497 58.200 -0.184 0.000 0.918 406 S CB -0.008 62.963 63.200 -0.382 0.000 0.772 406 S HN 0.315 nan 8.310 nan 0.000 0.531 407 A N 2.124 124.996 122.820 0.086 0.000 1.929 407 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 407 A C 2.239 179.849 177.584 0.044 0.000 1.176 407 A CA 1.595 53.685 52.037 0.088 0.000 0.628 407 A CB -0.680 18.346 19.000 0.043 0.000 0.816 407 A HN 0.802 nan 8.150 nan 0.000 0.444 408 T N -4.601 109.958 114.554 0.008 0.000 3.186 408 T HA 0.264 4.614 4.350 -0.000 0.000 0.292 408 T C 0.263 174.921 174.700 -0.069 0.000 0.915 408 T CA 0.381 62.470 62.100 -0.019 0.000 0.902 408 T CB -0.297 68.566 68.868 -0.007 0.000 1.192 408 T HN 0.078 nan 8.240 nan 0.000 0.563 409 S N 2.618 118.248 115.700 -0.116 0.000 2.562 409 S HA 0.252 4.722 4.470 -0.000 0.000 0.281 409 S C 1.224 175.730 174.600 -0.157 0.000 1.333 409 S CA -0.744 57.347 58.200 -0.182 0.000 1.052 409 S CB 1.043 64.082 63.200 -0.267 0.000 0.884 409 S HN 0.208 nan 8.310 nan 0.000 0.506 410 K N 2.152 122.461 120.400 -0.151 0.000 2.057 410 K HA 0.001 4.320 4.320 -0.000 0.000 0.207 410 K C 0.090 176.612 176.600 -0.130 0.000 1.049 410 K CA 1.409 57.627 56.287 -0.115 0.000 0.931 410 K CB -0.078 32.365 32.500 -0.096 0.000 0.714 410 K HN 0.519 nan 8.250 nan 0.000 0.440 411 K N 0.661 120.948 120.400 -0.187 0.000 2.323 411 K HA 0.427 4.747 4.320 -0.000 0.000 0.259 411 K C -0.611 175.776 176.600 -0.355 0.000 0.947 411 K CA -0.349 55.799 56.287 -0.231 0.000 0.819 411 K CB 1.917 34.282 32.500 -0.226 0.000 1.109 411 K HN -0.113 nan 8.250 nan 0.000 0.429 412 I N 4.467 124.799 120.570 -0.398 0.000 2.355 412 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 412 I C -0.528 175.152 176.117 -0.730 0.000 0.999 412 I CA -0.719 60.197 61.300 -0.640 0.000 1.163 412 I CB 1.085 38.654 38.000 -0.717 0.000 1.316 412 I HN 0.366 nan 8.210 nan 0.000 0.454 413 I N 7.055 127.171 120.570 -0.757 0.000 2.371 413 I HA 0.295 4.465 4.170 -0.000 0.000 0.282 413 I C -0.314 175.550 176.117 -0.421 0.000 1.031 413 I CA -0.375 60.615 61.300 -0.517 0.000 1.180 413 I CB -0.046 37.686 38.000 -0.447 0.000 1.336 413 I HN 0.349 nan 8.210 nan 0.000 0.467 414 F N 4.595 124.447 119.950 -0.164 0.000 2.427 414 F HA 0.323 4.850 4.527 -0.000 0.000 0.352 414 F C 0.648 176.636 175.800 0.313 0.000 1.100 414 F CA -0.163 57.880 58.000 0.072 0.000 1.191 414 F CB 1.004 40.010 39.000 0.009 0.000 1.128 414 F HN 0.362 nan 8.300 nan 0.000 0.533 415 C N 2.503 122.111 119.300 0.513 0.000 2.498 415 C HA 0.958 5.417 4.460 -0.000 0.000 0.316 415 C C 0.513 175.528 174.990 0.043 0.000 1.209 415 C CA -0.639 58.574 59.018 0.325 0.000 1.518 415 C CB 0.713 28.555 27.740 0.169 0.000 2.147 415 C HN 1.098 nan 8.230 nan 0.000 0.483 416 G N 1.672 110.460 108.800 -0.019 0.000 2.364 416 G HA2 0.692 4.652 3.960 -0.000 0.000 0.286 416 G HA3 0.692 4.652 3.960 -0.000 0.000 0.286 416 G C -0.855 174.022 174.900 -0.039 0.000 1.241 416 G CA 0.264 45.105 45.100 -0.431 0.000 0.887 416 G HN 0.845 nan 8.290 nan 0.000 0.484 417 T N -1.659 112.877 114.554 -0.029 0.000 2.940 417 T HA 0.598 4.948 4.350 -0.000 0.000 0.288 417 T C 0.973 175.899 174.700 0.377 0.000 1.045 417 T CA -0.339 61.858 62.100 0.162 0.000 1.018 417 T CB 1.992 70.902 68.868 0.070 0.000 1.151 417 T HN 0.698 nan 8.240 nan 0.000 0.529 418 L N 1.041 122.447 121.223 0.304 0.000 2.131 418 L HA 0.244 4.583 4.340 -0.000 0.000 0.206 418 L C 1.161 178.196 176.870 0.275 0.000 1.087 418 L CA 1.380 56.404 54.840 0.307 0.000 0.767 418 L CB -0.208 41.904 42.059 0.087 0.000 0.917 418 L HN 1.109 nan 8.230 nan 0.000 0.441 419 T N -3.084 111.574 114.554 0.174 0.000 2.916 419 T HA 0.846 5.196 4.350 -0.000 0.000 0.292 419 T C -0.483 174.278 174.700 0.102 0.000 1.064 419 T CA -0.326 61.854 62.100 0.133 0.000 1.011 419 T CB 2.032 70.951 68.868 0.085 0.000 1.152 419 T HN 0.165 nan 8.240 nan 0.000 0.510 420 A N -0.542 122.332 122.820 0.089 0.000 2.532 420 A HA 0.973 5.293 4.320 -0.000 0.000 0.290 420 A C 0.441 178.063 177.584 0.063 0.000 1.143 420 A CA -0.544 51.532 52.037 0.065 0.000 0.728 420 A CB 0.775 19.811 19.000 0.060 0.000 1.317 420 A HN 2.536 nan 8.150 nan 0.000 0.414 421 G N -0.314 108.517 108.800 0.053 0.000 2.898 421 G HA2 0.271 4.231 3.960 -0.000 0.000 0.267 421 G HA3 0.271 4.231 3.960 -0.000 0.000 0.267 421 G C 0.388 175.310 174.900 0.036 0.000 1.061 421 G CA 0.612 45.741 45.100 0.049 0.000 1.230 421 G HN 2.192 nan 8.290 nan 0.000 0.569 422 S N -2.197 113.521 115.700 0.030 0.000 3.450 422 S HA -0.232 4.238 4.470 -0.000 0.000 0.288 422 S C 0.724 175.337 174.600 0.022 0.000 1.256 422 S CA 0.763 58.977 58.200 0.023 0.000 0.910 422 S CB -1.272 61.941 63.200 0.021 0.000 1.090 422 S HN 2.163 nan 8.310 nan 0.000 0.630 423 L N 2.588 123.826 121.223 0.025 0.000 2.534 423 L HA 0.352 4.691 4.340 -0.000 0.000 0.271 423 L C 0.137 177.019 176.870 0.020 0.000 1.178 423 L CA 1.144 55.999 54.840 0.025 0.000 0.907 423 L CB 0.170 42.248 42.059 0.031 0.000 1.164 423 L HN 0.136 nan 8.230 nan 0.000 0.482 424 K N 4.012 124.423 120.400 0.019 0.000 2.413 424 K HA 0.534 4.853 4.320 -0.000 0.000 0.257 424 K C -0.721 175.890 176.600 0.018 0.000 0.946 424 K CA -0.633 55.664 56.287 0.016 0.000 0.823 424 K CB 1.921 34.429 32.500 0.013 0.000 1.109 424 K HN 0.616 nan 8.250 nan 0.000 0.427 425 T N 1.894 116.460 114.554 0.020 0.000 2.903 425 T HA 0.351 4.700 4.350 -0.000 0.000 0.299 425 T C -1.870 172.845 174.700 0.026 0.000 1.093 425 T CA -0.729 61.386 62.100 0.025 0.000 1.002 425 T CB 1.221 70.109 68.868 0.034 0.000 1.127 425 T HN 0.755 nan 8.240 nan 0.000 0.488 426 E N 2.425 122.644 120.200 0.031 0.000 2.383 426 E HA 0.556 4.906 4.350 -0.000 0.000 0.275 426 E C -1.542 175.090 176.600 0.053 0.000 0.918 426 E CA -1.010 55.410 56.400 0.034 0.000 0.764 426 E CB 1.479 31.193 29.700 0.023 0.000 1.252 426 E HN 0.341 nan 8.360 nan 0.000 0.449 427 I N 1.756 122.366 120.570 0.066 0.000 2.304 427 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 427 I C -0.465 175.694 176.117 0.071 0.000 1.018 427 I CA -0.051 61.312 61.300 0.106 0.000 1.260 427 I CB 1.383 39.472 38.000 0.148 0.000 1.390 427 I HN 0.677 nan 8.210 nan 0.000 0.475 428 A N 3.963 126.816 122.820 0.054 0.000 2.455 428 A HA 0.663 4.983 4.320 -0.000 0.000 0.300 428 A C -0.403 177.193 177.584 0.020 0.000 1.040 428 A CA -0.609 51.447 52.037 0.032 0.000 0.697 428 A CB 0.867 19.878 19.000 0.018 0.000 1.265 428 A HN 0.710 nan 8.150 nan 0.000 0.407 429 D N 1.124 121.536 120.400 0.020 0.000 2.837 429 D HA -0.185 4.454 4.640 -0.000 0.000 0.230 429 D C 1.049 177.353 176.300 0.006 0.000 1.152 429 D CA 2.806 56.812 54.000 0.010 0.000 0.736 429 D CB -1.507 39.291 40.800 -0.004 0.000 1.084 429 D HN 2.188 nan 8.370 nan 0.000 0.429 430 G N -1.173 107.649 108.800 0.036 0.000 2.153 430 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.252 430 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.252 430 G C 0.268 175.119 174.900 -0.081 0.000 0.994 430 G CA 0.976 46.105 45.100 0.049 0.000 0.698 430 G HN 0.532 nan 8.290 nan 0.000 0.521 431 K N -0.853 119.490 120.400 -0.095 0.000 2.395 431 K HA 0.725 5.044 4.320 -0.000 0.000 0.247 431 K C -0.050 176.470 176.600 -0.132 0.000 0.973 431 K CA -0.858 55.294 56.287 -0.225 0.000 0.828 431 K CB 1.579 33.994 32.500 -0.142 0.000 1.272 431 K HN 0.061 nan 8.250 nan 0.000 0.439 432 L N 2.777 123.883 121.223 -0.195 0.000 2.281 432 L HA 0.329 4.669 4.340 -0.000 0.000 0.285 432 L C -0.841 176.014 176.870 -0.025 0.000 1.074 432 L CA -0.274 54.553 54.840 -0.021 0.000 0.817 432 L CB 0.683 42.750 42.059 0.014 0.000 1.168 432 L HN 0.634 nan 8.230 nan 0.000 0.434 433 N N 5.446 124.151 118.700 0.008 0.000 2.476 433 N HA 0.316 5.056 4.740 -0.000 0.000 0.257 433 N C -0.675 174.842 175.510 0.010 0.000 0.970 433 N CA -0.405 52.645 53.050 0.000 0.000 0.938 433 N CB 0.886 39.374 38.487 0.002 0.000 1.144 433 N HN 0.453 nan 8.380 nan 0.000 0.500 434 I N 4.258 124.831 120.570 0.005 0.000 2.311 434 I HA 0.044 4.214 4.170 -0.000 0.000 0.297 434 I C 1.282 177.404 176.117 0.007 0.000 1.131 434 I CA -0.360 60.946 61.300 0.010 0.000 1.289 434 I CB 0.691 38.695 38.000 0.007 0.000 1.446 434 I HN 0.369 nan 8.210 nan 0.000 0.524 435 V N 4.718 124.638 119.914 0.010 0.000 2.379 435 V HA -0.133 3.986 4.120 -0.000 0.000 0.245 435 V C 0.811 176.910 176.094 0.008 0.000 1.044 435 V CA 1.387 63.692 62.300 0.008 0.000 1.036 435 V CB -0.414 31.414 31.823 0.009 0.000 0.664 435 V HN 0.801 nan 8.190 nan 0.000 0.453 436 Q N -0.120 119.686 119.800 0.011 0.000 2.268 436 Q HA 0.354 4.694 4.340 -0.000 0.000 0.266 436 Q C -1.118 174.892 176.000 0.016 0.000 1.006 436 Q CA -0.558 55.252 55.803 0.012 0.000 0.824 436 Q CB 2.219 30.964 28.738 0.012 0.000 1.306 436 Q HN 0.346 nan 8.270 nan 0.000 0.424 437 E N 1.708 121.917 120.200 0.015 0.000 2.313 437 E HA 0.429 4.778 4.350 -0.000 0.000 0.276 437 E C -0.389 176.226 176.600 0.025 0.000 1.031 437 E CA 0.041 56.452 56.400 0.019 0.000 0.857 437 E CB 1.161 30.869 29.700 0.014 0.000 1.040 437 E HN 0.677 nan 8.360 nan 0.000 0.408 438 G N 3.706 112.526 108.800 0.033 0.000 2.398 438 G HA2 0.055 4.014 3.960 -0.000 0.000 0.246 438 G HA3 0.055 4.014 3.960 -0.000 0.000 0.246 438 G C 0.583 175.508 174.900 0.041 0.000 1.289 438 G CA -0.188 44.937 45.100 0.040 0.000 0.869 438 G HN 0.749 nan 8.290 nan 0.000 0.543 439 R N 0.803 121.327 120.500 0.040 0.000 2.275 439 R HA 0.096 4.436 4.340 -0.000 0.000 0.199 439 R C -0.057 176.271 176.300 0.047 0.000 0.989 439 R CA 0.078 56.200 56.100 0.036 0.000 1.016 439 R CB 0.011 30.328 30.300 0.029 0.000 0.918 439 R HN 0.257 nan 8.270 nan 0.000 0.473 440 V N 2.317 122.270 119.914 0.064 0.000 2.427 440 V HA 0.242 4.362 4.120 -0.000 0.000 0.286 440 V C -0.173 175.983 176.094 0.102 0.000 1.034 440 V CA -0.879 61.472 62.300 0.084 0.000 0.893 440 V CB 1.720 33.610 31.823 0.111 0.000 0.982 440 V HN 0.172 nan 8.190 nan 0.000 0.452 441 K N 3.419 123.881 120.400 0.103 0.000 2.249 441 K HA 0.368 4.687 4.320 -0.000 0.000 0.280 441 K C 0.337 177.038 176.600 0.168 0.000 1.033 441 K CA -0.378 55.985 56.287 0.127 0.000 0.946 441 K CB 1.487 34.045 32.500 0.098 0.000 1.005 441 K HN 0.530 nan 8.250 nan 0.000 0.469 442 K N 1.230 121.773 120.400 0.238 0.000 2.348 442 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 442 K C -0.286 176.370 176.600 0.093 0.000 1.052 442 K CA 0.308 56.725 56.287 0.217 0.000 1.004 442 K CB 0.335 33.031 32.500 0.327 0.000 0.873 442 K HN 0.322 nan 8.250 nan 0.000 0.523 443 F N 2.599 122.556 119.950 0.011 0.000 2.334 443 F HA 0.314 4.840 4.527 -0.000 0.000 0.365 443 F C 0.383 176.235 175.800 0.086 0.000 1.124 443 F CA -1.251 56.740 58.000 -0.015 0.000 1.166 443 F CB 0.200 39.048 39.000 -0.253 0.000 1.355 443 F HN -0.089 nan 8.300 nan 0.000 0.532 444 I N -0.292 120.421 120.570 0.240 0.000 3.133 444 I HA 0.582 4.751 4.170 -0.000 0.000 0.311 444 I C 1.109 177.349 176.117 0.205 0.000 1.072 444 I CA -1.134 60.283 61.300 0.196 0.000 1.015 444 I CB 1.647 39.703 38.000 0.094 0.000 1.233 444 I HN 0.285 nan 8.210 nan 0.000 0.473 445 R N 0.586 121.161 120.500 0.126 0.000 2.062 445 R HA 0.065 4.405 4.340 -0.000 0.000 0.231 445 R C -0.098 176.166 176.300 -0.060 0.000 1.136 445 R CA 1.462 57.578 56.100 0.027 0.000 0.948 445 R CB -0.218 30.105 30.300 0.037 0.000 0.845 445 R HN 0.674 nan 8.270 nan 0.000 0.430 446 E N -0.388 119.809 120.200 -0.005 0.000 2.308 446 E HA 0.338 4.688 4.350 -0.000 0.000 0.275 446 E C -1.405 175.200 176.600 0.009 0.000 0.890 446 E CA -0.291 56.117 56.400 0.013 0.000 0.754 446 E CB 1.651 31.370 29.700 0.031 0.000 1.207 446 E HN -0.026 nan 8.360 nan 0.000 0.426 447 L N 5.721 126.950 121.223 0.010 0.000 2.349 447 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 447 L C -1.127 175.747 176.870 0.007 0.000 1.115 447 L CA -1.374 53.469 54.840 0.006 0.000 0.820 447 L CB 0.633 42.698 42.059 0.011 0.000 1.135 447 L HN 0.596 nan 8.230 nan 0.000 0.445 448 P HA -0.046 nan 4.420 nan 0.000 0.219 448 P C -0.093 177.206 177.300 -0.001 0.000 1.150 448 P CA 1.133 64.223 63.100 -0.017 0.000 0.814 448 P CB 0.572 32.244 31.700 -0.047 0.000 0.787 449 E N -0.623 119.580 120.200 0.004 0.000 2.331 449 E HA 0.472 4.822 4.350 -0.000 0.000 0.275 449 E C -0.761 175.946 176.600 0.179 0.000 0.895 449 E CA -0.748 55.710 56.400 0.096 0.000 0.753 449 E CB 2.322 32.070 29.700 0.081 0.000 1.216 449 E HN -0.035 nan 8.360 nan 0.000 0.434 450 I N 1.757 122.488 120.570 0.268 0.000 2.336 450 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 450 I C 0.891 177.246 176.117 0.396 0.000 0.991 450 I CA -0.026 61.426 61.300 0.253 0.000 1.227 450 I CB 1.568 39.657 38.000 0.148 0.000 1.366 450 I HN 0.572 nan 8.210 nan 0.000 0.466 451 T N 4.794 119.581 114.554 0.387 0.000 3.023 451 T HA 0.154 4.504 4.350 -0.000 0.000 0.249 451 T C -0.128 174.945 174.700 0.622 0.000 1.050 451 T CA 0.450 62.828 62.100 0.462 0.000 1.088 451 T CB 0.120 69.119 68.868 0.217 0.000 0.946 451 T HN 0.424 nan 8.240 nan 0.000 0.480 452 F N 1.615 121.793 119.950 0.380 0.000 2.561 452 F HA 0.619 5.145 4.527 -0.000 0.000 0.313 452 F C -0.867 175.053 175.800 0.199 0.000 1.126 452 F CA -1.146 57.068 58.000 0.357 0.000 0.918 452 F CB 1.867 41.168 39.000 0.502 0.000 1.199 452 F HN -0.165 nan 8.300 nan 0.000 0.444 453 S N 3.988 119.333 115.700 -0.592 0.000 2.422 453 S HA 0.430 4.900 4.470 -0.000 0.000 0.308 453 S C 1.027 175.146 174.600 -0.801 0.000 1.097 453 S CA 0.085 57.987 58.200 -0.496 0.000 1.099 453 S CB 0.937 63.975 63.200 -0.269 0.000 0.976 453 S HN 1.071 nan 8.310 nan 0.000 0.471 454 G N 4.476 113.028 108.800 -0.414 0.000 2.418 454 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 454 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 454 G C 1.304 176.140 174.900 -0.107 0.000 1.158 454 G CA 0.975 45.987 45.100 -0.146 0.000 0.771 454 G HN 0.731 nan 8.290 nan 0.000 0.545 455 K N 0.028 120.362 120.400 -0.111 0.000 2.057 455 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 455 K C 2.337 178.878 176.600 -0.098 0.000 1.049 455 K CA 0.963 57.203 56.287 -0.079 0.000 0.931 455 K CB -0.173 32.275 32.500 -0.087 0.000 0.714 455 K HN 0.215 nan 8.250 nan 0.000 0.440 456 I N 1.538 122.016 120.570 -0.154 0.000 2.315 456 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 456 I C 2.567 178.618 176.117 -0.110 0.000 1.117 456 I CA 1.229 62.448 61.300 -0.135 0.000 1.404 456 I CB -1.443 36.465 38.000 -0.154 0.000 1.071 456 I HN 0.246 nan 8.210 nan 0.000 0.419 457 A N 1.290 124.020 122.820 -0.150 0.000 1.883 457 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 457 A C 2.402 179.996 177.584 0.016 0.000 1.186 457 A CA 1.489 53.515 52.037 -0.019 0.000 0.624 457 A CB -0.897 18.169 19.000 0.109 0.000 0.822 457 A HN 0.392 nan 8.150 nan 0.000 0.444 458 L N -0.833 120.397 121.223 0.010 0.000 2.046 458 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 458 L C 2.604 179.473 176.870 -0.003 0.000 1.077 458 L CA 1.639 56.490 54.840 0.018 0.000 0.747 458 L CB -0.656 41.419 42.059 0.026 0.000 0.896 458 L HN 0.474 nan 8.230 nan 0.000 0.432 459 E N 0.084 120.271 120.200 -0.022 0.000 2.160 459 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 459 E C 2.076 178.660 176.600 -0.026 0.000 0.991 459 E CA 1.001 57.383 56.400 -0.029 0.000 0.810 459 E CB -0.032 29.639 29.700 -0.047 0.000 0.742 459 E HN 0.437 nan 8.360 nan 0.000 0.466 460 R N -0.547 119.938 120.500 -0.024 0.000 2.310 460 R HA 0.063 4.403 4.340 -0.000 0.000 0.202 460 R C 0.918 177.212 176.300 -0.010 0.000 0.933 460 R CA 0.455 56.544 56.100 -0.019 0.000 1.054 460 R CB 0.489 30.777 30.300 -0.020 0.000 0.985 460 R HN 0.202 nan 8.270 nan 0.000 0.489 461 G N 1.539 110.337 108.800 -0.004 0.000 2.198 461 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 461 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 461 G C -0.022 174.877 174.900 -0.002 0.000 1.042 461 G CA -0.100 44.999 45.100 -0.002 0.000 0.791 461 G HN 0.161 nan 8.290 nan 0.000 0.502 462 L N -0.202 121.026 121.223 0.009 0.000 2.357 462 L HA 0.541 4.881 4.340 -0.000 0.000 0.273 462 L C 0.196 177.071 176.870 0.009 0.000 1.080 462 L CA -0.949 53.892 54.840 0.003 0.000 0.803 462 L CB 1.118 43.189 42.059 0.021 0.000 1.174 462 L HN 0.108 nan 8.230 nan 0.000 0.443 463 D N 1.844 122.228 120.400 -0.026 0.000 2.396 463 D HA 0.348 4.988 4.640 -0.000 0.000 0.225 463 D C -0.929 175.335 176.300 -0.060 0.000 1.121 463 D CA -0.190 53.794 54.000 -0.028 0.000 0.853 463 D CB 1.204 41.978 40.800 -0.043 0.000 1.043 463 D HN 0.081 nan 8.370 nan 0.000 0.500 464 V N 4.597 124.505 119.914 -0.011 0.000 2.398 464 V HA 0.539 4.659 4.120 -0.000 0.000 0.286 464 V C 0.333 176.378 176.094 -0.082 0.000 1.026 464 V CA -0.844 61.410 62.300 -0.077 0.000 0.868 464 V CB 1.474 33.349 31.823 0.085 0.000 0.982 464 V HN 0.402 nan 8.190 nan 0.000 0.443 465 R N 2.983 123.349 120.500 -0.223 0.000 2.740 465 R HA 0.660 4.999 4.340 -0.000 0.000 0.282 465 R C -1.932 174.266 176.300 -0.170 0.000 0.969 465 R CA -0.604 55.457 56.100 -0.064 0.000 0.918 465 R CB 1.584 31.873 30.300 -0.018 0.000 1.175 465 R HN 0.614 nan 8.270 nan 0.000 0.464 466 Y N 3.648 124.155 120.300 0.343 0.000 2.326 466 Y HA 0.481 5.031 4.550 -0.000 0.000 0.329 466 Y C -0.377 175.800 175.900 0.462 0.000 0.973 466 Y CA -0.689 57.676 58.100 0.443 0.000 1.162 466 Y CB 1.307 40.030 38.460 0.439 0.000 1.147 466 Y HN 0.305 nan 8.280 nan 0.000 0.456 467 I N 4.230 125.116 120.570 0.526 0.000 2.362 467 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 467 I C 0.106 176.469 176.117 0.410 0.000 0.994 467 I CA -0.485 61.032 61.300 0.362 0.000 1.158 467 I CB 1.600 39.720 38.000 0.200 0.000 1.315 467 I HN 0.673 nan 8.210 nan 0.000 0.451 468 T N 0.482 115.241 114.554 0.343 0.000 2.927 468 T HA 0.349 4.699 4.350 -0.000 0.000 0.286 468 T C 0.833 175.620 174.700 0.145 0.000 1.040 468 T CA -0.703 61.569 62.100 0.287 0.000 1.010 468 T CB 1.651 70.729 68.868 0.350 0.000 1.177 468 T HN 0.546 nan 8.240 nan 0.000 0.546 469 E N 0.809 121.076 120.200 0.112 0.000 2.153 469 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 469 E C 1.927 178.594 176.600 0.111 0.000 0.988 469 E CA 1.362 57.810 56.400 0.080 0.000 0.811 469 E CB -0.445 29.296 29.700 0.068 0.000 0.746 469 E HN 0.796 nan 8.360 nan 0.000 0.466 470 R N 0.025 120.580 120.500 0.091 0.000 2.404 470 R HA 0.606 4.946 4.340 -0.000 0.000 0.237 470 R C -0.011 176.289 176.300 0.000 0.000 0.907 470 R CA 0.382 56.517 56.100 0.059 0.000 1.063 470 R CB 0.720 31.039 30.300 0.031 0.000 1.134 470 R HN 0.095 nan 8.270 nan 0.000 0.529 471 A N 0.498 123.308 122.820 -0.018 0.000 2.594 471 A HA 0.567 4.887 4.320 -0.000 0.000 0.296 471 A C -1.558 175.910 177.584 -0.194 0.000 1.061 471 A CA -0.630 51.293 52.037 -0.190 0.000 0.689 471 A CB 2.157 20.954 19.000 -0.339 0.000 1.280 471 A HN -0.006 nan 8.150 nan 0.000 0.406 472 V N 1.413 121.124 119.914 -0.339 0.000 2.588 472 V HA 0.705 4.824 4.120 -0.000 0.000 0.304 472 V C -1.075 174.813 176.094 -0.344 0.000 1.042 472 V CA -0.335 61.871 62.300 -0.157 0.000 0.877 472 V CB 1.282 33.097 31.823 -0.014 0.000 0.996 472 V HN 0.724 nan 8.190 nan 0.000 0.425 473 F N 1.073 121.162 119.950 0.231 0.000 2.538 473 F HA 0.749 5.275 4.527 -0.000 0.000 0.325 473 F C 0.502 176.516 175.800 0.357 0.000 1.066 473 F CA -0.622 57.544 58.000 0.276 0.000 0.946 473 F CB 2.397 41.564 39.000 0.278 0.000 1.199 473 F HN 0.306 nan 8.300 nan 0.000 0.473 474 T N 2.780 117.631 114.554 0.494 0.000 2.861 474 T HA 0.431 4.781 4.350 -0.000 0.000 0.287 474 T C -1.273 173.664 174.700 0.396 0.000 1.003 474 T CA -0.517 61.808 62.100 0.376 0.000 0.977 474 T CB 1.658 70.640 68.868 0.189 0.000 0.996 474 T HN 0.404 nan 8.240 nan 0.000 0.448 475 L N 4.031 125.496 121.223 0.404 0.000 2.319 475 L HA 0.529 4.869 4.340 -0.000 0.000 0.280 475 L C -0.203 176.765 176.870 0.163 0.000 1.099 475 L CA 0.541 55.591 54.840 0.350 0.000 0.828 475 L CB -0.187 42.135 42.059 0.438 0.000 1.150 475 L HN 0.549 nan 8.230 nan 0.000 0.442 476 K N 3.131 123.600 120.400 0.115 0.000 2.409 476 K HA 0.359 4.679 4.320 -0.000 0.000 0.252 476 K C 0.434 177.082 176.600 0.080 0.000 1.036 476 K CA -0.919 55.371 56.287 0.007 0.000 0.871 476 K CB 1.323 33.658 32.500 -0.275 0.000 1.374 476 K HN 0.381 nan 8.250 nan 0.000 0.459 477 E N 1.401 121.636 120.200 0.058 0.000 2.171 477 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 477 E C 0.746 177.404 176.600 0.097 0.000 0.997 477 E CA 1.584 58.026 56.400 0.069 0.000 0.810 477 E CB -0.084 29.646 29.700 0.050 0.000 0.738 477 E HN 0.595 nan 8.360 nan 0.000 0.467 478 D N -0.816 119.673 120.400 0.149 0.000 2.342 478 D HA 0.211 4.850 4.640 -0.000 0.000 0.221 478 D C 0.978 177.371 176.300 0.154 0.000 1.101 478 D CA 0.524 54.613 54.000 0.149 0.000 0.837 478 D CB 0.363 41.258 40.800 0.159 0.000 0.938 478 D HN 0.118 nan 8.370 nan 0.000 0.508 479 G N -0.108 108.799 108.800 0.178 0.000 2.362 479 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.517 479 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.517 479 G C -1.453 173.615 174.900 0.280 0.000 1.256 479 G CA -0.842 44.346 45.100 0.146 0.000 1.027 479 G HN 0.167 nan 8.290 nan 0.000 0.491 480 L N 1.842 123.204 121.223 0.232 0.000 2.410 480 L HA 0.360 4.699 4.340 -0.000 0.000 0.273 480 L C 0.848 177.977 176.870 0.431 0.000 1.144 480 L CA 0.284 55.320 54.840 0.326 0.000 0.863 480 L CB 0.408 42.580 42.059 0.189 0.000 1.140 480 L HN 0.523 nan 8.230 nan 0.000 0.463 481 H N 4.046 123.289 119.070 0.288 0.000 2.519 481 H HA 0.219 4.774 4.556 -0.000 0.000 0.316 481 H C -0.513 174.975 175.328 0.268 0.000 1.065 481 H CA -1.167 55.022 56.048 0.234 0.000 1.264 481 H CB 1.829 31.688 29.762 0.162 0.000 1.413 481 H HN 0.352 nan 8.280 nan 0.000 0.465 482 L N 5.976 127.343 121.223 0.239 0.000 2.456 482 L HA 0.060 4.399 4.340 -0.000 0.000 0.277 482 L C 0.835 177.681 176.870 -0.041 0.000 1.124 482 L CA 0.392 55.196 54.840 -0.060 0.000 0.880 482 L CB -0.248 41.737 42.059 -0.124 0.000 1.192 482 L HN 0.654 nan 8.230 nan 0.000 0.463 483 I N 0.136 120.662 120.570 -0.073 0.000 4.035 483 I HA 0.443 4.613 4.170 -0.000 0.000 0.321 483 I C 0.025 176.120 176.117 -0.037 0.000 1.289 483 I CA -0.091 61.208 61.300 -0.002 0.000 1.236 483 I CB 0.205 38.242 38.000 0.061 0.000 1.076 483 I HN 0.499 nan 8.210 nan 0.000 0.418 484 E N 2.042 122.178 120.200 -0.108 0.000 2.343 484 E HA 0.652 5.002 4.350 -0.000 0.000 0.278 484 E C -1.291 175.234 176.600 -0.125 0.000 0.910 484 E CA -0.727 55.628 56.400 -0.075 0.000 0.757 484 E CB 3.064 32.751 29.700 -0.022 0.000 1.218 484 E HN 0.208 nan 8.360 nan 0.000 0.435 485 I N 0.205 120.730 120.570 -0.075 0.000 2.545 485 I HA 0.662 4.832 4.170 -0.000 0.000 0.292 485 I C -0.050 176.042 176.117 -0.041 0.000 1.040 485 I CA -1.341 59.912 61.300 -0.080 0.000 1.068 485 I CB 1.897 39.846 38.000 -0.085 0.000 1.251 485 I HN 0.457 nan 8.210 nan 0.000 0.424 486 A N 6.549 129.353 122.820 -0.027 0.000 2.477 486 A HA 0.487 4.807 4.320 -0.000 0.000 0.246 486 A C -2.257 175.187 177.584 -0.234 0.000 1.078 486 A CA -1.115 50.878 52.037 -0.074 0.000 0.770 486 A CB -0.580 18.435 19.000 0.024 0.000 1.011 486 A HN 0.560 nan 8.150 nan 0.000 0.494 487 P HA 0.193 nan 4.420 nan 0.000 0.265 487 P C 0.822 177.930 177.300 -0.320 0.000 1.193 487 P CA 1.511 64.400 63.100 -0.352 0.000 0.765 487 P CB 0.741 32.181 31.700 -0.434 0.000 0.823 488 G N 0.889 109.575 108.800 -0.189 0.000 2.157 488 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.239 488 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.239 488 G C -0.251 174.589 174.900 -0.099 0.000 0.982 488 G CA -0.103 44.915 45.100 -0.136 0.000 0.650 488 G HN 0.646 nan 8.290 nan 0.000 0.527 489 V N 0.513 120.368 119.914 -0.098 0.000 2.628 489 V HA 0.632 4.751 4.120 -0.000 0.000 0.306 489 V C -0.597 175.461 176.094 -0.061 0.000 1.045 489 V CA -0.535 61.724 62.300 -0.068 0.000 0.905 489 V CB 1.952 33.738 31.823 -0.061 0.000 0.997 489 V HN 0.319 nan 8.190 nan 0.000 0.436 490 D N 3.659 124.030 120.400 -0.048 0.000 2.280 490 D HA 0.238 4.878 4.640 -0.000 0.000 0.243 490 D C 1.017 177.290 176.300 -0.046 0.000 1.129 490 D CA -0.111 53.862 54.000 -0.044 0.000 0.848 490 D CB 1.363 42.141 40.800 -0.036 0.000 1.107 490 D HN 0.475 nan 8.370 nan 0.000 0.471 491 L N 3.122 124.316 121.223 -0.049 0.000 1.971 491 L HA -0.265 4.075 4.340 -0.000 0.000 0.215 491 L C 1.980 178.822 176.870 -0.048 0.000 1.072 491 L CA 1.690 56.499 54.840 -0.052 0.000 0.758 491 L CB -0.192 41.837 42.059 -0.049 0.000 0.889 491 L HN 0.587 nan 8.230 nan 0.000 0.433 492 Q N 0.616 120.392 119.800 -0.040 0.000 1.990 492 Q HA -0.230 4.110 4.340 -0.000 0.000 0.200 492 Q C 2.023 178.001 176.000 -0.037 0.000 0.980 492 Q CA 2.451 58.231 55.803 -0.037 0.000 0.832 492 Q CB -0.081 28.639 28.738 -0.030 0.000 0.897 492 Q HN 0.598 nan 8.270 nan 0.000 0.427 493 K N -1.586 118.794 120.400 -0.032 0.000 2.356 493 K HA 0.083 4.402 4.320 -0.000 0.000 0.195 493 K C 0.554 177.137 176.600 -0.028 0.000 1.037 493 K CA 0.911 57.181 56.287 -0.028 0.000 1.014 493 K CB 0.380 32.867 32.500 -0.022 0.000 0.815 493 K HN 0.060 nan 8.250 nan 0.000 0.507 494 D N 0.552 120.933 120.400 -0.032 0.000 2.366 494 D HA 0.188 4.828 4.640 -0.000 0.000 0.205 494 D C 1.577 177.855 176.300 -0.036 0.000 1.022 494 D CA 0.447 54.430 54.000 -0.029 0.000 0.868 494 D CB 0.478 41.261 40.800 -0.027 0.000 0.953 494 D HN 0.261 nan 8.370 nan 0.000 0.514 495 I N -0.562 119.978 120.570 -0.050 0.000 3.674 495 I HA 0.013 4.183 4.170 -0.000 0.000 0.248 495 I C 2.052 178.117 176.117 -0.088 0.000 1.134 495 I CA -0.067 61.194 61.300 -0.066 0.000 1.519 495 I CB 0.209 38.169 38.000 -0.067 0.000 1.598 495 I HN -0.213 nan 8.210 nan 0.000 0.442 496 L N 1.106 122.281 121.223 -0.080 0.000 2.042 496 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 496 L C 1.868 178.685 176.870 -0.089 0.000 1.076 496 L CA 1.432 56.215 54.840 -0.094 0.000 0.749 496 L CB -0.685 41.333 42.059 -0.068 0.000 0.893 496 L HN 0.294 nan 8.230 nan 0.000 0.432 497 D N -0.348 120.016 120.400 -0.061 0.000 2.263 497 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 497 D C 0.923 177.195 176.300 -0.046 0.000 0.971 497 D CA 1.009 54.982 54.000 -0.046 0.000 0.867 497 D CB 0.073 40.855 40.800 -0.031 0.000 0.929 497 D HN 0.181 nan 8.370 nan 0.000 0.492 501 F N -0.817 119.116 119.950 -0.028 0.000 2.650 501 F HA 0.770 5.297 4.527 -0.000 0.000 0.320 501 F C -0.332 175.440 175.800 -0.046 0.000 1.091 501 F CA -0.848 57.123 58.000 -0.049 0.000 0.962 501 F CB 0.988 39.938 39.000 -0.083 0.000 1.363 501 F HN -0.372 nan 8.300 nan 0.000 0.482 502 T N 3.405 118.040 114.554 0.135 0.000 2.738 502 T HA 0.430 4.780 4.350 -0.000 0.000 0.298 502 T C -2.436 172.340 174.700 0.127 0.000 0.962 502 T CA -0.931 61.187 62.100 0.031 0.000 0.972 502 T CB 0.669 69.556 68.868 0.032 0.000 0.928 502 T HN 0.430 nan 8.240 nan 0.000 0.474 503 P HA 0.317 nan 4.420 nan 0.000 0.276 503 P C -0.501 176.823 177.300 0.039 0.000 1.244 503 P CA -0.531 62.646 63.100 0.127 0.000 0.801 503 P CB 0.668 32.462 31.700 0.157 0.000 1.006 504 V N 2.695 122.588 119.914 -0.035 0.000 2.555 504 V HA 0.082 4.201 4.120 -0.000 0.000 0.286 504 V C 0.887 176.885 176.094 -0.160 0.000 1.044 504 V CA -0.116 62.055 62.300 -0.216 0.000 1.026 504 V CB -0.012 31.419 31.823 -0.653 0.000 0.981 504 V HN 0.333 nan 8.190 nan 0.000 0.480 505 I N 3.970 124.477 120.570 -0.105 0.000 2.312 505 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 505 I C 0.849 176.946 176.117 -0.033 0.000 1.031 505 I CA 0.296 61.566 61.300 -0.049 0.000 1.293 505 I CB 1.283 39.262 38.000 -0.034 0.000 1.403 505 I HN 0.662 nan 8.210 nan 0.000 0.484 506 S N 8.686 124.401 115.700 0.024 0.000 2.546 506 S HA 0.104 4.573 4.470 -0.000 0.000 0.290 506 S C -0.886 173.745 174.600 0.052 0.000 1.290 506 S CA -1.050 57.205 58.200 0.093 0.000 1.069 506 S CB 0.649 63.927 63.200 0.129 0.000 0.846 506 S HN 0.467 nan 8.310 nan 0.000 0.495 507 P HA -0.093 nan 4.420 nan 0.000 0.221 507 P C 0.036 177.357 177.300 0.035 0.000 1.145 507 P CA 1.168 64.292 63.100 0.039 0.000 0.795 507 P CB 0.034 31.762 31.700 0.046 0.000 0.775 508 E N -0.670 119.557 120.200 0.045 0.000 2.499 508 E HA 0.146 4.496 4.350 -0.000 0.000 0.207 508 E C 0.017 176.636 176.600 0.032 0.000 1.034 508 E CA -0.634 55.789 56.400 0.037 0.000 1.098 508 E CB -0.449 29.276 29.700 0.042 0.000 1.148 508 E HN 0.036 nan 8.360 nan 0.000 0.447 509 L N 2.642 123.879 121.223 0.022 0.000 2.601 509 L HA -0.007 4.332 4.340 -0.000 0.000 0.277 509 L C -0.020 176.852 176.870 0.003 0.000 1.219 509 L CA 0.872 55.716 54.840 0.006 0.000 0.915 509 L CB 0.016 42.068 42.059 -0.011 0.000 1.160 509 L HN 0.047 nan 8.230 nan 0.000 0.494 510 K N 3.555 123.957 120.400 0.004 0.000 2.444 510 K HA 0.591 4.911 4.320 -0.000 0.000 0.252 510 K C -0.852 175.750 176.600 0.004 0.000 0.993 510 K CA -1.170 55.123 56.287 0.010 0.000 0.847 510 K CB 1.102 33.619 32.500 0.029 0.000 1.340 510 K HN 0.338 nan 8.250 nan 0.000 0.446 514 E N 1.767 122.114 120.200 0.245 0.000 2.130 514 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 514 E C 1.722 178.477 176.600 0.259 0.000 0.998 514 E CA 1.435 57.982 56.400 0.244 0.000 0.806 514 E CB 0.029 29.809 29.700 0.133 0.000 0.738 514 E HN 0.411 nan 8.360 nan 0.000 0.459 515 R N 0.331 120.948 120.500 0.196 0.000 2.193 515 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 515 R C 2.221 178.566 176.300 0.075 0.000 1.110 515 R CA 0.836 57.025 56.100 0.147 0.000 0.988 515 R CB -0.449 29.950 30.300 0.166 0.000 0.871 515 R HN 0.205 nan 8.270 nan 0.000 0.458 516 L N -0.541 120.677 121.223 -0.007 0.000 2.131 516 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 516 L C 1.286 177.884 176.870 -0.453 0.000 1.092 516 L CA 1.261 55.889 54.840 -0.353 0.000 0.759 516 L CB -0.169 41.471 42.059 -0.699 0.000 0.903 516 L HN 0.141 nan 8.230 nan 0.000 0.435 517 F N -0.916 119.021 119.950 -0.022 0.000 2.695 517 F HA 0.261 4.788 4.527 -0.000 0.000 0.303 517 F C 0.771 176.567 175.800 -0.007 0.000 1.091 517 F CA -0.325 57.663 58.000 -0.020 0.000 1.300 517 F CB 0.103 39.092 39.000 -0.018 0.000 1.071 517 F HN -0.145 nan 8.300 nan 0.000 0.578 518 I N 0.496 121.139 120.570 0.123 0.000 2.331 518 I HA 0.097 4.267 4.170 -0.000 0.000 0.292 518 I C 0.055 176.196 176.117 0.041 0.000 0.998 518 I CA -0.547 60.803 61.300 0.083 0.000 1.267 518 I CB 0.820 38.869 38.000 0.082 0.000 1.386 518 I HN -0.191 nan 8.210 nan 0.000 0.476 519 D N 6.695 127.117 120.400 0.036 0.000 2.671 519 D HA 0.476 5.115 4.640 -0.000 0.000 0.228 519 D C -0.486 175.826 176.300 0.020 0.000 1.102 519 D CA 0.348 54.359 54.000 0.019 0.000 1.044 519 D CB -0.016 40.795 40.800 0.018 0.000 1.113 519 D HN 0.639 nan 8.370 nan 0.000 0.480 520 A N 0.648 123.481 122.820 0.022 0.000 2.583 520 A HA 0.662 4.982 4.320 -0.000 0.000 0.292 520 A C -0.139 177.465 177.584 0.034 0.000 1.045 520 A CA -0.333 51.720 52.037 0.026 0.000 0.672 520 A CB 0.418 19.436 19.000 0.030 0.000 1.283 520 A HN 0.362 nan 8.150 nan 0.000 0.419 524 F N 2.157 122.118 119.950 0.018 0.000 2.467 524 F HA 0.599 5.126 4.527 -0.000 0.000 0.362 524 F C -0.099 175.689 175.800 -0.021 0.000 1.090 524 F CA -0.357 57.635 58.000 -0.013 0.000 1.202 524 F CB 1.163 40.187 39.000 0.039 0.000 1.113 524 F HN -0.058 nan 8.300 nan 0.000 0.541 525 V N 7.982 127.374 119.914 -0.870 0.000 2.417 525 V HA 0.230 4.350 4.120 -0.000 0.000 0.291 525 V C 0.110 175.542 176.094 -1.104 0.000 1.024 525 V CA -1.003 60.859 62.300 -0.731 0.000 0.861 525 V CB 1.536 33.142 31.823 -0.361 0.000 0.985 525 V HN 0.652 nan 8.190 nan 0.000 0.436 526 L N 7.366 128.154 121.223 -0.724 0.000 2.462 526 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 526 L C -1.990 174.735 176.870 -0.241 0.000 1.166 526 L CA -1.299 53.296 54.840 -0.408 0.000 0.880 526 L CB 0.813 42.825 42.059 -0.077 0.000 1.142 526 L HN 0.433 nan 8.230 nan 0.000 0.473 527 P HA -0.014 nan 4.420 nan 0.000 0.267 527 P C -0.368 176.902 177.300 -0.050 0.000 1.200 527 P CA -0.119 62.926 63.100 -0.092 0.000 0.772 527 P CB 0.423 32.096 31.700 -0.044 0.000 0.855 528 E N 0.857 121.032 120.200 -0.042 0.000 2.409 528 E HA 0.223 4.573 4.350 -0.000 0.000 0.257 528 E C 0.577 177.174 176.600 -0.005 0.000 1.150 528 E CA -0.155 56.231 56.400 -0.022 0.000 0.942 528 E CB 0.383 30.069 29.700 -0.023 0.000 0.979 528 E HN 0.465 nan 8.360 nan 0.000 0.447 529 A N 0.000 122.823 122.820 0.005 0.000 2.254 529 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 529 A CA 0.000 52.045 52.037 0.013 0.000 0.836 529 A CB 0.000 19.011 19.000 0.019 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486