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 1a6d_1_A DATA FIRST_RESID 17 DATA SEQUENCE REQGKNAQRN NIEAAKAIAD AVRTTLGPKG MDKMLVDSIG DIIISNDGAT DATA SEQUENCE ILKEMDVEHP TAKMIVEVSK AQDTAVGDGT TTAVVLSGEL LKQAETLLDQ DATA SEQUENCE GVHPTVISNG YRLAVNEARK IIDEIAEKST DDATLRKIAL TALSGKNTGL DATA SEQUENCE SNDFLADLVV KAVNAVAEVR DGKTIVDTAN IKVDKKNGGS VNDTQFISGI DATA SEQUENCE VIDKEKVHSK MPDVVKNAKI ALIDSALEIK KTEIEAKVQI SDPSKIQDFL DATA SEQUENCE NQETNTFKQM VEKIKKSGAN VVLCQKGIDD VAQHYLAKEG IYAVRRVKKS DATA SEQUENCE DMEKLAKATG AKIVTDLDDL TPSVLGEAET VEERKIGDDR MTFVMGCKNP DATA SEQUENCE KAVSILIRGG TDHVVSEVER ALNDAIRVVA ITKEDGKFLW GGGAVEAELA DATA SEQUENCE MRLAKYANSV GGREQLAIEA FAKALEIIPR TLAENAGIDP INTLIKLKAD DATA SEQUENCE DEKGRISVGV DLDNNGVGDM KAKGVVDPLR VKTHALESAV EVATMILRID DATA SEQUENCE DVI 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.299 176.300 -0.002 0.000 0.893 17 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 17 R CB 0.000 30.297 30.300 -0.006 0.000 0.687 18 E N 3.494 123.695 120.200 0.001 0.000 2.314 18 E HA 0.307 nan 4.350 nan 0.000 0.272 18 E C -2.343 174.261 176.600 0.006 0.000 0.884 18 E CA -0.933 55.471 56.400 0.007 0.000 0.753 18 E CB 4.644 34.354 29.700 0.015 0.000 1.213 18 E HN 0.455 8.815 8.360 -0.002 0.000 0.432 19 Q N 1.258 121.061 119.800 0.005 0.000 2.399 19 Q HA 0.585 nan 4.340 nan 0.000 0.276 19 Q C 1.117 177.118 176.000 0.001 0.000 1.098 19 Q CA -1.248 54.557 55.803 0.003 0.000 0.827 19 Q CB 3.919 32.658 28.738 0.002 0.000 1.386 19 Q HN 0.395 8.669 8.270 0.006 0.000 0.443 20 G N 4.586 113.385 108.800 -0.003 0.000 2.672 20 G HA2 -0.576 nan 3.960 nan 0.000 0.324 20 G HA3 -0.576 nan 3.960 nan 0.000 0.324 20 G C 0.027 174.922 174.900 -0.009 0.000 1.286 20 G CA 1.602 46.697 45.100 -0.009 0.000 1.004 20 G HN 0.446 8.734 8.290 -0.003 0.000 0.548 21 K N 2.433 122.828 120.400 -0.009 0.000 2.020 21 K HA -0.422 nan 4.320 nan 0.000 0.212 21 K C 2.088 178.688 176.600 -0.000 0.000 1.050 21 K CA 3.881 60.163 56.287 -0.007 0.000 0.929 21 K CB -0.313 32.184 32.500 -0.005 0.000 0.714 21 K HN 0.149 8.394 8.250 -0.008 0.000 0.443 22 N N -1.601 117.101 118.700 0.004 0.000 2.104 22 N HA -0.300 nan 4.740 nan 0.000 0.190 22 N C 1.695 177.216 175.510 0.018 0.000 1.024 22 N CA 3.042 56.099 53.050 0.010 0.000 0.853 22 N CB -0.350 38.144 38.487 0.011 0.000 1.008 22 N HN -0.220 8.162 8.380 0.003 0.000 0.424 23 A N -1.007 121.822 122.820 0.016 0.000 1.902 23 A HA -0.258 nan 4.320 nan 0.000 0.217 23 A C 2.468 180.068 177.584 0.027 0.000 1.181 23 A CA 2.882 54.933 52.037 0.024 0.000 0.623 23 A CB -0.529 18.480 19.000 0.015 0.000 0.818 23 A HN -0.660 7.489 8.150 0.009 0.006 0.443 24 Q N -1.716 118.090 119.800 0.011 0.000 2.049 24 Q HA -0.340 nan 4.340 nan 0.000 0.198 24 Q C 2.368 178.373 176.000 0.008 0.000 0.971 24 Q CA 3.252 59.059 55.803 0.006 0.000 0.833 24 Q CB 0.060 28.791 28.738 -0.012 0.000 0.896 24 Q HN -0.077 8.195 8.270 0.004 0.000 0.434 25 R N -0.374 120.129 120.500 0.005 0.000 2.105 25 R HA -0.398 nan 4.340 nan 0.000 0.239 25 R C 2.063 178.364 176.300 0.001 0.000 1.135 25 R CA 3.455 59.556 56.100 0.002 0.000 0.967 25 R CB -0.258 30.042 30.300 0.001 0.000 0.861 25 R HN 0.369 8.641 8.270 0.004 0.000 0.442 26 N N -1.097 117.611 118.700 0.014 0.000 2.084 26 N HA -0.273 nan 4.740 nan 0.000 0.190 26 N C 2.058 177.566 175.510 -0.003 0.000 1.030 26 N CA 3.690 56.752 53.050 0.019 0.000 0.849 26 N CB -0.009 38.520 38.487 0.070 0.000 1.012 26 N HN -0.435 7.951 8.380 0.021 0.007 0.423 27 N N 0.922 119.645 118.700 0.038 0.000 2.120 27 N HA -0.283 nan 4.740 nan 0.000 0.188 27 N C 2.337 177.840 175.510 -0.011 0.000 1.024 27 N CA 3.220 56.297 53.050 0.046 0.000 0.852 27 N CB 0.168 38.695 38.487 0.068 0.000 1.003 27 N HN -0.445 7.892 8.380 0.049 0.073 0.424 28 I N 0.892 121.458 120.570 -0.006 0.000 2.179 28 I HA -0.585 nan 4.170 nan 0.000 0.242 28 I C 1.619 177.714 176.117 -0.036 0.000 1.088 28 I CA 4.506 65.801 61.300 -0.009 0.000 1.357 28 I CB -0.307 37.694 38.000 0.002 0.000 1.051 28 I HN 0.148 8.361 8.210 0.004 0.000 0.409 29 E N -1.326 118.844 120.200 -0.051 0.000 2.085 29 E HA -0.420 nan 4.350 nan 0.000 0.194 29 E C 2.441 178.972 176.600 -0.115 0.000 0.994 29 E CA 3.180 59.538 56.400 -0.069 0.000 0.801 29 E CB -0.727 28.935 29.700 -0.064 0.000 0.743 29 E HN -0.111 8.226 8.360 -0.038 0.000 0.453 30 A N -1.106 121.593 122.820 -0.202 0.000 1.858 30 A HA -0.268 nan 4.320 nan 0.000 0.216 30 A C 2.006 179.505 177.584 -0.142 0.000 1.190 30 A CA 3.013 54.871 52.037 -0.298 0.000 0.617 30 A CB -0.876 17.726 19.000 -0.665 0.000 0.827 30 A HN -0.097 7.931 8.150 -0.203 0.000 0.443 31 A N -1.710 121.059 122.820 -0.084 0.000 1.892 31 A HA -0.381 nan 4.320 nan 0.000 0.218 31 A C 1.954 179.518 177.584 -0.034 0.000 1.188 31 A CA 3.241 55.257 52.037 -0.035 0.000 0.631 31 A CB -1.010 17.985 19.000 -0.009 0.000 0.822 31 A HN -0.159 7.941 8.150 -0.083 0.000 0.447 32 K N -1.459 118.918 120.400 -0.038 0.000 2.097 32 K HA -0.311 nan 4.320 nan 0.000 0.206 32 K C 1.906 178.486 176.600 -0.034 0.000 1.049 32 K CA 2.827 59.095 56.287 -0.031 0.000 0.933 32 K CB -0.011 32.471 32.500 -0.029 0.000 0.717 32 K HN -0.197 8.027 8.250 -0.043 0.000 0.442 33 A N -0.837 121.955 122.820 -0.047 0.000 1.902 33 A HA -0.226 nan 4.320 nan 0.000 0.217 33 A C 2.457 180.023 177.584 -0.029 0.000 1.181 33 A CA 2.952 54.964 52.037 -0.041 0.000 0.623 33 A CB -0.771 18.195 19.000 -0.057 0.000 0.818 33 A HN -0.348 7.683 8.150 -0.063 0.082 0.443 34 I N -2.110 118.443 120.570 -0.028 0.000 2.546 34 I HA -0.379 nan 4.170 nan 0.000 0.255 34 I C 1.024 177.134 176.117 -0.012 0.000 1.163 34 I CA 1.326 62.617 61.300 -0.015 0.000 1.457 34 I CB -0.062 37.934 38.000 -0.008 0.000 1.092 34 I HN -0.576 7.611 8.210 -0.039 0.000 0.434 35 A N -0.239 122.571 122.820 -0.015 0.000 1.898 35 A HA -0.326 nan 4.320 nan 0.000 0.216 35 A C 1.779 179.355 177.584 -0.014 0.000 1.181 35 A CA 3.273 55.302 52.037 -0.014 0.000 0.620 35 A CB -0.853 18.136 19.000 -0.018 0.000 0.819 35 A HN -0.425 7.615 8.150 -0.020 0.098 0.442 36 D N -1.259 119.132 120.400 -0.015 0.000 2.149 36 D HA -0.328 nan 4.640 nan 0.000 0.198 36 D C 1.857 178.152 176.300 -0.009 0.000 0.990 36 D CA 3.121 57.113 54.000 -0.013 0.000 0.839 36 D CB -0.512 40.280 40.800 -0.014 0.000 0.948 36 D HN -0.220 8.139 8.370 -0.018 0.000 0.460 37 A N -3.112 119.703 122.820 -0.008 0.000 2.070 37 A HA -0.122 nan 4.320 nan 0.000 0.220 37 A C 1.234 178.816 177.584 -0.004 0.000 1.159 37 A CA 2.450 54.484 52.037 -0.005 0.000 0.656 37 A CB 0.019 19.017 19.000 -0.003 0.000 0.800 37 A HN -0.475 7.560 8.150 -0.010 0.109 0.453 38 V N -8.879 111.033 119.914 -0.005 0.000 3.635 38 V HA 0.253 nan 4.120 nan 0.000 0.266 38 V C 1.296 177.387 176.094 -0.005 0.000 1.316 38 V CA -0.174 62.124 62.300 -0.004 0.000 1.060 38 V CB -0.159 31.662 31.823 -0.004 0.000 0.820 38 V HN -0.686 7.353 8.190 -0.007 0.148 0.447 39 R N 2.549 123.045 120.500 -0.007 0.000 2.196 39 R HA -0.492 nan 4.340 nan 0.000 0.244 39 R C 1.427 177.724 176.300 -0.005 0.000 1.121 39 R CA 4.133 60.228 56.100 -0.008 0.000 0.930 39 R CB -0.224 30.070 30.300 -0.010 0.000 0.890 39 R HN 0.177 8.442 8.270 -0.008 0.000 0.435 40 T N -6.135 108.417 114.554 -0.003 0.000 3.139 40 T HA -0.068 nan 4.350 nan 0.000 0.267 40 T C 1.464 176.164 174.700 0.001 0.000 1.164 40 T CA 2.368 64.467 62.100 -0.001 0.000 1.075 40 T CB -1.207 67.661 68.868 -0.000 0.000 0.904 40 T HN 0.419 8.657 8.240 -0.004 0.000 0.540 41 T N -1.555 112.999 114.554 0.000 0.000 3.081 41 T HA 0.041 nan 4.350 nan 0.000 0.250 41 T C 0.313 175.015 174.700 0.002 0.000 1.100 41 T CA 0.636 62.737 62.100 0.002 0.000 1.038 41 T CB -0.221 68.647 68.868 0.001 0.000 0.962 41 T HN 0.076 8.133 8.240 -0.001 0.182 0.516 42 L N 3.872 125.096 121.223 0.001 0.000 2.500 42 L HA -0.306 nan 4.340 nan 0.000 0.272 42 L C -0.163 176.711 176.870 0.006 0.000 1.149 42 L CA 0.859 55.701 54.840 0.003 0.000 0.897 42 L CB -0.226 41.833 42.059 -0.000 0.000 1.178 42 L HN -0.589 7.590 8.230 -0.000 0.052 0.473 43 G N 5.941 114.746 108.800 0.009 0.000 2.685 43 G HA2 -0.239 nan 3.960 nan 0.000 0.387 43 G HA3 -0.239 nan 3.960 nan 0.000 0.387 43 G C -2.160 172.748 174.900 0.012 0.000 1.324 43 G CA -0.599 44.508 45.100 0.012 0.000 0.878 43 G HN -0.350 8.185 8.290 0.009 -0.240 0.527 44 P HA -0.111 nan 4.420 nan 0.000 0.220 44 P C -0.729 176.578 177.300 0.012 0.000 1.148 44 P CA 1.406 64.515 63.100 0.014 0.000 0.803 44 P CB 0.241 31.951 31.700 0.016 0.000 0.782 45 K N -3.054 117.352 120.400 0.011 0.000 2.981 45 K HA 0.199 nan 4.320 nan 0.000 0.213 45 K C -0.178 176.427 176.600 0.008 0.000 1.154 45 K CA -0.860 55.433 56.287 0.009 0.000 1.111 45 K CB -0.289 32.216 32.500 0.008 0.000 0.975 45 K HN -0.034 8.180 8.250 0.011 0.043 0.462 46 G N -0.399 108.406 108.800 0.008 0.000 2.476 46 G HA2 0.024 nan 3.960 nan 0.000 0.269 46 G HA3 0.024 nan 3.960 nan 0.000 0.269 46 G C -0.896 174.009 174.900 0.007 0.000 1.195 46 G CA -0.495 44.609 45.100 0.007 0.000 0.843 46 G HN -0.501 7.726 8.290 0.009 0.069 0.545 47 M N 1.875 121.478 119.600 0.006 0.000 2.494 47 M HA 0.319 nan 4.480 nan 0.000 0.300 47 M C -1.133 175.171 176.300 0.007 0.000 1.189 47 M CA -2.349 52.955 55.300 0.007 0.000 0.982 47 M CB 2.377 34.981 32.600 0.006 0.000 1.534 47 M HN 0.338 8.631 8.290 0.005 0.000 0.488 48 D N 0.684 121.089 120.400 0.008 0.000 2.326 48 D HA 0.534 nan 4.640 nan 0.000 0.248 48 D C -1.464 174.841 176.300 0.008 0.000 1.001 48 D CA -0.460 53.544 54.000 0.008 0.000 0.961 48 D CB 1.976 42.783 40.800 0.012 0.000 1.183 48 D HN -0.226 8.150 8.370 0.010 0.000 0.502 49 K N -0.534 119.869 120.400 0.006 0.000 2.316 49 K HA 0.374 nan 4.320 nan 0.000 0.251 49 K C -1.559 175.046 176.600 0.009 0.000 0.934 49 K CA -1.875 54.416 56.287 0.007 0.000 0.802 49 K CB 2.430 34.932 32.500 0.003 0.000 1.171 49 K HN 0.480 8.731 8.250 0.003 0.000 0.426 50 M N 3.532 123.140 119.600 0.014 0.000 2.149 50 M HA 0.479 nan 4.480 nan 0.000 0.342 50 M C -1.429 174.881 176.300 0.017 0.000 1.068 50 M CA -1.373 53.939 55.300 0.021 0.000 0.991 50 M CB 1.050 33.668 32.600 0.030 0.000 1.596 50 M HN 0.174 8.472 8.290 0.013 0.000 0.439 51 L N 7.635 128.866 121.223 0.013 0.000 2.305 51 L HA 0.406 nan 4.340 nan 0.000 0.284 51 L C -2.106 174.775 176.870 0.018 0.000 1.013 51 L CA -0.847 53.999 54.840 0.011 0.000 0.819 51 L CB 0.992 43.052 42.059 0.002 0.000 1.227 51 L HN 0.935 9.062 8.230 0.011 0.109 0.417 52 V N 3.807 123.732 119.914 0.019 0.000 2.540 52 V HA 0.430 nan 4.120 nan 0.000 0.302 52 V C -1.202 174.903 176.094 0.018 0.000 1.035 52 V CA -2.174 60.140 62.300 0.024 0.000 0.873 52 V CB 2.354 34.192 31.823 0.025 0.000 0.992 52 V HN 0.158 8.357 8.190 0.016 0.000 0.428 53 D N 7.917 128.328 120.400 0.019 0.000 2.976 53 D HA 0.322 nan 4.640 nan 0.000 0.239 53 D C -0.405 175.903 176.300 0.014 0.000 1.198 53 D CA 0.205 54.214 54.000 0.014 0.000 1.171 53 D CB 0.659 41.467 40.800 0.013 0.000 1.012 53 D HN 0.013 8.397 8.370 0.023 0.000 0.318 54 S N -1.299 114.409 115.700 0.013 0.000 3.249 54 S HA 0.040 nan 4.470 nan 0.000 0.237 54 S C 0.395 175.002 174.600 0.012 0.000 1.007 54 S CA 0.575 58.782 58.200 0.011 0.000 0.811 54 S CB 1.639 64.844 63.200 0.009 0.000 0.832 54 S HN 0.166 8.483 8.310 0.013 0.000 0.573 55 I N 1.968 122.546 120.570 0.012 0.000 2.834 55 I HA 0.037 nan 4.170 nan 0.000 0.239 55 I C 1.208 177.336 176.117 0.018 0.000 1.073 55 I CA 0.455 61.763 61.300 0.013 0.000 1.459 55 I CB 0.298 38.305 38.000 0.011 0.000 1.288 55 I HN -0.309 7.908 8.210 0.011 0.000 0.455 56 G N -2.196 106.615 108.800 0.018 0.000 2.553 56 G HA2 -0.244 nan 3.960 nan 0.000 0.218 56 G HA3 -0.244 nan 3.960 nan 0.000 0.218 56 G C -0.685 174.237 174.900 0.036 0.000 1.195 56 G CA 0.645 45.760 45.100 0.024 0.000 0.779 56 G HN 0.224 8.571 8.290 0.015 -0.048 0.577 57 D N -1.221 119.200 120.400 0.035 0.000 4.910 57 D HA -0.200 nan 4.640 nan 0.000 0.134 57 D C -1.108 175.227 176.300 0.058 0.000 0.682 57 D CA 0.573 54.600 54.000 0.046 0.000 0.938 57 D CB -0.263 40.566 40.800 0.048 0.000 0.682 57 D HN -0.468 8.324 8.370 0.026 -0.406 0.607 58 I N 2.521 123.153 120.570 0.103 0.000 2.474 58 I HA 0.199 nan 4.170 nan 0.000 0.287 58 I C -0.309 175.864 176.117 0.094 0.000 1.048 58 I CA 0.427 61.803 61.300 0.126 0.000 1.383 58 I CB 0.561 38.668 38.000 0.178 0.000 1.412 58 I HN 0.116 8.400 8.210 0.123 0.000 0.531 59 I N 6.612 127.186 120.570 0.008 0.000 2.533 59 I HA 0.310 nan 4.170 nan 0.000 0.290 59 I C -1.828 174.256 176.117 -0.055 0.000 1.056 59 I CA -0.736 60.508 61.300 -0.094 0.000 1.057 59 I CB 3.502 41.461 38.000 -0.068 0.000 1.240 59 I HN 0.745 8.970 8.210 0.024 0.000 0.423 60 I N 6.466 126.980 120.570 -0.094 0.000 2.410 60 I HA 0.601 nan 4.170 nan 0.000 0.286 60 I C -1.327 174.765 176.117 -0.042 0.000 1.009 60 I CA -0.967 60.318 61.300 -0.026 0.000 1.111 60 I CB 1.642 39.661 38.000 0.031 0.000 1.262 60 I HN 0.319 8.406 8.210 -0.205 0.000 0.443 61 S N 5.946 121.632 115.700 -0.023 0.000 2.607 61 S HA 0.442 nan 4.470 nan 0.000 0.273 61 S C -1.667 172.928 174.600 -0.009 0.000 1.148 61 S CA -2.203 55.984 58.200 -0.021 0.000 0.833 61 S CB 2.002 65.184 63.200 -0.028 0.000 1.130 61 S HN 0.027 8.328 8.310 -0.014 0.000 0.470 62 N N 1.537 120.233 118.700 -0.006 0.000 2.273 62 N HA 0.112 nan 4.740 nan 0.000 0.192 62 N C -0.784 174.724 175.510 -0.003 0.000 1.132 62 N CA -0.188 52.861 53.050 -0.002 0.000 0.887 62 N CB 1.943 40.431 38.487 0.002 0.000 1.048 62 N HN 0.099 8.882 8.380 -0.009 -0.408 0.490 63 D N 1.993 122.389 120.400 -0.007 0.000 2.401 63 D HA -0.022 nan 4.640 nan 0.000 0.254 63 D C 1.162 177.459 176.300 -0.006 0.000 1.192 63 D CA 0.742 54.738 54.000 -0.007 0.000 0.885 63 D CB 1.281 42.075 40.800 -0.010 0.000 1.147 63 D HN -0.461 7.859 8.370 -0.010 0.044 0.478 64 G N 5.134 113.932 108.800 -0.004 0.000 2.408 64 G HA2 -0.261 nan 3.960 nan 0.000 0.217 64 G HA3 -0.261 nan 3.960 nan 0.000 0.217 64 G C 0.335 175.233 174.900 -0.003 0.000 1.150 64 G CA 1.986 47.085 45.100 -0.003 0.000 0.776 64 G HN 0.625 8.914 8.290 -0.002 0.000 0.542 65 A N 0.502 123.320 122.820 -0.004 0.000 1.898 65 A HA -0.231 nan 4.320 nan 0.000 0.216 65 A C 1.614 179.194 177.584 -0.007 0.000 1.181 65 A CA 3.413 55.447 52.037 -0.005 0.000 0.620 65 A CB -1.128 17.868 19.000 -0.006 0.000 0.819 65 A HN -0.228 8.134 8.150 -0.004 -0.214 0.442 66 T N 2.224 116.773 114.554 -0.009 0.000 2.674 66 T HA -0.364 nan 4.350 nan 0.000 0.265 66 T C 2.145 176.839 174.700 -0.011 0.000 1.039 66 T CA 4.856 66.948 62.100 -0.013 0.000 1.150 66 T CB -0.691 68.165 68.868 -0.018 0.000 0.864 66 T HN -0.194 8.206 8.240 -0.010 -0.165 0.427 67 I N 1.109 121.674 120.570 -0.009 0.000 2.151 67 I HA -0.581 nan 4.170 nan 0.000 0.243 67 I C 1.609 177.724 176.117 -0.003 0.000 1.080 67 I CA 4.497 65.793 61.300 -0.006 0.000 1.339 67 I CB -0.365 37.633 38.000 -0.004 0.000 1.039 67 I HN -0.172 8.032 8.210 -0.009 0.000 0.409 68 L N -2.243 118.979 121.223 -0.002 0.000 2.056 68 L HA -0.345 nan 4.340 nan 0.000 0.207 68 L C 1.844 178.715 176.870 0.002 0.000 1.078 68 L CA 2.474 57.315 54.840 0.001 0.000 0.749 68 L CB -0.383 41.678 42.059 0.003 0.000 0.901 68 L HN -0.253 7.976 8.230 -0.002 0.000 0.433 69 K N -2.912 117.488 120.400 -0.001 0.000 2.103 69 K HA -0.255 nan 4.320 nan 0.000 0.207 69 K C 2.458 179.057 176.600 -0.001 0.000 1.048 69 K CA 2.677 58.963 56.287 -0.001 0.000 0.930 69 K CB 0.063 32.560 32.500 -0.005 0.000 0.716 69 K HN -0.110 8.138 8.250 -0.003 0.000 0.444 70 E N -2.046 118.152 120.200 -0.003 0.000 2.122 70 E HA -0.170 nan 4.350 nan 0.000 0.190 70 E C 0.870 177.472 176.600 0.002 0.000 0.977 70 E CA 0.446 56.844 56.400 -0.002 0.000 0.820 70 E CB 0.353 30.050 29.700 -0.005 0.000 0.770 70 E HN -0.389 7.960 8.360 -0.004 0.008 0.462 71 M N 1.099 120.701 119.600 0.003 0.000 2.216 71 M HA -0.228 nan 4.480 nan 0.000 0.328 71 M C 0.212 176.517 176.300 0.009 0.000 1.062 71 M CA 1.173 56.476 55.300 0.006 0.000 1.012 71 M CB 0.331 32.936 32.600 0.007 0.000 1.622 71 M HN -0.338 7.953 8.290 0.002 0.000 0.448 72 D N 4.021 124.427 120.400 0.011 0.000 2.557 72 D HA 0.114 nan 4.640 nan 0.000 0.236 72 D C -0.895 175.417 176.300 0.019 0.000 1.154 72 D CA -0.733 53.276 54.000 0.013 0.000 0.985 72 D CB -0.385 40.422 40.800 0.012 0.000 1.010 72 D HN 0.103 8.480 8.370 0.011 0.000 0.516 73 V N 3.500 123.428 119.914 0.022 0.000 2.530 73 V HA -0.003 nan 4.120 nan 0.000 0.282 73 V C -0.613 175.505 176.094 0.040 0.000 1.048 73 V CA 0.014 62.334 62.300 0.034 0.000 0.997 73 V CB 0.472 32.316 31.823 0.036 0.000 0.987 73 V HN -0.218 7.950 8.190 0.019 0.033 0.477 74 E N 4.670 124.904 120.200 0.057 0.000 2.094 74 E HA -0.134 nan 4.350 nan 0.000 0.193 74 E C -0.568 176.071 176.600 0.066 0.000 0.950 74 E CA 0.249 56.680 56.400 0.052 0.000 0.842 74 E CB 0.715 30.446 29.700 0.051 0.000 0.816 74 E HN 0.234 8.633 8.360 0.065 0.000 0.465 75 H N 1.880 120.953 119.070 0.004 0.000 3.001 75 H HA 0.064 nan 4.556 nan 0.000 0.334 75 H C -0.787 174.544 175.328 0.005 0.000 1.034 75 H CA -0.803 55.247 56.048 0.004 0.000 1.420 75 H CB 0.750 30.515 29.762 0.004 0.000 1.405 75 H HN -0.155 8.248 8.280 0.204 0.000 0.593 76 P HA -0.162 nan 4.420 nan 0.000 0.215 76 P C 1.017 178.372 177.300 0.093 0.000 1.157 76 P CA 2.792 65.868 63.100 -0.039 0.000 0.868 76 P CB 0.252 31.878 31.700 -0.124 0.000 0.788 77 T N -1.122 113.581 114.554 0.248 0.000 2.803 77 T HA -0.252 nan 4.350 nan 0.000 0.269 77 T C 1.641 176.435 174.700 0.156 0.000 1.052 77 T CA 4.673 66.907 62.100 0.223 0.000 1.136 77 T CB -0.808 68.223 68.868 0.271 0.000 0.864 77 T HN -0.520 7.879 8.240 0.266 0.000 0.467 78 A N 1.004 123.940 122.820 0.194 0.000 1.970 78 A HA -0.150 nan 4.320 nan 0.000 0.216 78 A C 1.565 179.191 177.584 0.070 0.000 1.170 78 A CA 2.834 54.924 52.037 0.088 0.000 0.645 78 A CB -0.798 18.248 19.000 0.076 0.000 0.816 78 A HN -0.290 7.949 8.150 0.353 0.123 0.447 79 K N -1.448 118.998 120.400 0.077 0.000 2.209 79 K HA -0.292 nan 4.320 nan 0.000 0.204 79 K C 2.548 179.170 176.600 0.037 0.000 1.048 79 K CA 3.017 59.331 56.287 0.045 0.000 0.940 79 K CB -0.246 32.275 32.500 0.034 0.000 0.729 79 K HN -0.170 8.050 8.250 0.104 0.092 0.451 80 M N -1.403 118.224 119.600 0.046 0.000 2.156 80 M HA -0.220 nan 4.480 nan 0.000 0.264 80 M C 2.780 179.100 176.300 0.033 0.000 1.067 80 M CA 1.662 56.985 55.300 0.038 0.000 1.131 80 M CB -0.856 31.770 32.600 0.043 0.000 1.368 80 M HN -0.327 7.882 8.290 0.061 0.118 0.416 81 I N -0.291 120.299 120.570 0.034 0.000 2.226 81 I HA -0.352 nan 4.170 nan 0.000 0.245 81 I C 2.283 178.412 176.117 0.020 0.000 1.100 81 I CA 2.825 64.141 61.300 0.026 0.000 1.374 81 I CB -1.656 36.356 38.000 0.020 0.000 1.057 81 I HN -0.581 7.654 8.210 0.042 0.000 0.413 82 V N -1.055 118.871 119.914 0.020 0.000 2.568 82 V HA -0.435 nan 4.120 nan 0.000 0.253 82 V C 2.061 178.162 176.094 0.013 0.000 1.072 82 V CA 4.445 66.754 62.300 0.015 0.000 1.084 82 V CB -1.113 30.720 31.823 0.017 0.000 0.676 82 V HN -0.062 8.143 8.190 0.025 0.000 0.469 83 E N -0.582 119.627 120.200 0.015 0.000 2.265 83 E HA -0.314 nan 4.350 nan 0.000 0.196 83 E C 2.369 178.975 176.600 0.009 0.000 0.996 83 E CA 2.777 59.184 56.400 0.012 0.000 0.832 83 E CB -0.477 29.231 29.700 0.014 0.000 0.756 83 E HN -0.445 7.777 8.360 0.020 0.151 0.491 84 V N -0.262 119.659 119.914 0.012 0.000 2.720 84 V HA -0.276 nan 4.120 nan 0.000 0.256 84 V C 2.277 178.373 176.094 0.004 0.000 1.082 84 V CA 2.920 65.226 62.300 0.010 0.000 1.101 84 V CB -1.125 30.707 31.823 0.015 0.000 0.693 84 V HN 0.017 8.064 8.190 0.014 0.151 0.479 85 S N 0.328 116.029 115.700 0.003 0.000 2.474 85 S HA -0.258 nan 4.470 nan 0.000 0.235 85 S C 0.597 175.194 174.600 -0.005 0.000 0.997 85 S CA 3.500 61.700 58.200 -0.001 0.000 0.949 85 S CB -0.187 63.013 63.200 -0.000 0.000 0.766 85 S HN 0.045 8.209 8.310 0.005 0.149 0.517 86 K N -1.586 118.810 120.400 -0.006 0.000 2.354 86 K HA 0.064 nan 4.320 nan 0.000 0.194 86 K C -0.791 175.798 176.600 -0.018 0.000 1.038 86 K CA -1.046 55.235 56.287 -0.010 0.000 1.052 86 K CB 0.214 32.709 32.500 -0.007 0.000 0.861 86 K HN -0.423 7.656 8.250 -0.002 0.170 0.535 87 A N 1.320 124.128 122.820 -0.019 0.000 2.666 87 A HA 0.142 nan 4.320 nan 0.000 0.301 87 A C 0.492 178.046 177.584 -0.050 0.000 1.470 87 A CA -0.575 51.441 52.037 -0.036 0.000 1.159 87 A CB -0.995 17.988 19.000 -0.029 0.000 1.116 87 A HN -0.592 7.434 8.150 -0.011 0.118 0.548 88 Q N 5.776 125.544 119.800 -0.053 0.000 2.242 88 Q HA -0.394 nan 4.340 nan 0.000 0.211 88 Q C -0.439 175.520 176.000 -0.070 0.000 0.992 88 Q CA 2.913 58.684 55.803 -0.053 0.000 0.889 88 Q CB -0.313 28.395 28.738 -0.050 0.000 0.913 88 Q HN 0.247 8.470 8.270 -0.048 0.018 0.422 89 D N -7.035 113.289 120.400 -0.127 0.000 2.317 89 D HA -0.094 nan 4.640 nan 0.000 0.211 89 D C 0.955 177.215 176.300 -0.066 0.000 0.966 89 D CA 1.344 55.238 54.000 -0.177 0.000 0.876 89 D CB -0.333 40.152 40.800 -0.524 0.000 0.927 89 D HN 0.011 8.249 8.370 -0.144 0.046 0.519 90 T N -0.239 114.294 114.554 -0.034 0.000 3.056 90 T HA 0.117 nan 4.350 nan 0.000 0.241 90 T C 0.992 175.699 174.700 0.012 0.000 1.006 90 T CA 1.475 63.589 62.100 0.022 0.000 1.115 90 T CB 1.424 70.309 68.868 0.029 0.000 0.939 90 T HN -0.246 7.804 8.240 -0.056 0.156 0.462 91 A N 3.974 126.792 122.820 -0.004 0.000 3.065 91 A HA 0.110 nan 4.320 nan 0.000 0.262 91 A C -1.238 176.344 177.584 -0.004 0.000 1.901 91 A CA 0.590 52.625 52.037 -0.003 0.000 1.475 91 A CB -1.274 17.721 19.000 -0.008 0.000 0.984 91 A HN -0.284 7.857 8.150 -0.014 0.000 0.618 92 V N 1.036 120.951 119.914 0.002 0.000 2.567 92 V HA 0.284 nan 4.120 nan 0.000 0.298 92 V C -0.642 175.454 176.094 0.005 0.000 1.047 92 V CA -1.132 61.169 62.300 0.001 0.000 0.880 92 V CB 1.703 33.526 31.823 0.001 0.000 1.009 92 V HN -0.152 7.976 8.190 0.008 0.067 0.429 93 G N 8.823 117.624 108.800 0.002 0.000 2.527 93 G HA2 -0.375 nan 3.960 nan 0.000 0.268 93 G HA3 -0.375 nan 3.960 nan 0.000 0.268 93 G C -0.025 174.878 174.900 0.005 0.000 1.175 93 G CA 1.248 46.350 45.100 0.003 0.000 0.962 93 G HN -0.506 8.100 8.290 -0.001 -0.317 0.560 94 D N 5.391 125.796 120.400 0.008 0.000 2.336 94 D HA 0.051 nan 4.640 nan 0.000 0.229 94 D C 1.391 177.697 176.300 0.010 0.000 1.061 94 D CA 0.507 54.511 54.000 0.008 0.000 0.875 94 D CB -0.765 40.041 40.800 0.009 0.000 0.904 94 D HN 0.181 8.556 8.370 0.009 0.000 0.525 95 G N 0.194 109.002 108.800 0.013 0.000 2.440 95 G HA2 -0.373 nan 3.960 nan 0.000 0.218 95 G HA3 -0.373 nan 3.960 nan 0.000 0.218 95 G C 0.596 175.505 174.900 0.015 0.000 1.154 95 G CA 2.555 47.666 45.100 0.019 0.000 0.767 95 G HN -0.118 8.107 8.290 0.013 0.072 0.552 96 T N 3.478 118.037 114.554 0.009 0.000 2.674 96 T HA -0.281 nan 4.350 nan 0.000 0.265 96 T C 2.179 176.881 174.700 0.003 0.000 1.039 96 T CA 5.198 67.302 62.100 0.006 0.000 1.150 96 T CB -0.533 68.337 68.868 0.003 0.000 0.864 96 T HN -0.358 7.885 8.240 0.008 0.002 0.427 97 T N 3.808 118.363 114.554 0.001 0.000 2.833 97 T HA -0.220 nan 4.350 nan 0.000 0.269 97 T C 1.962 176.659 174.700 -0.006 0.000 1.054 97 T CA 4.912 67.010 62.100 -0.002 0.000 1.135 97 T CB -0.743 68.123 68.868 -0.002 0.000 0.869 97 T HN 0.301 8.543 8.240 0.002 0.000 0.466 98 T N 4.302 118.854 114.554 -0.004 0.000 2.737 98 T HA -0.232 nan 4.350 nan 0.000 0.265 98 T C 1.311 176.003 174.700 -0.014 0.000 1.038 98 T CA 4.920 67.015 62.100 -0.010 0.000 1.144 98 T CB -0.531 68.336 68.868 -0.002 0.000 0.866 98 T HN 0.078 8.306 8.240 0.001 0.013 0.434 99 A N 1.004 123.822 122.820 -0.002 0.000 1.877 99 A HA -0.208 nan 4.320 nan 0.000 0.216 99 A C 1.856 179.436 177.584 -0.006 0.000 1.186 99 A CA 3.334 55.372 52.037 0.001 0.000 0.620 99 A CB -0.834 18.177 19.000 0.018 0.000 0.822 99 A HN -0.038 8.115 8.150 0.005 0.000 0.443 100 V N -0.775 119.136 119.914 -0.004 0.000 2.295 100 V HA -0.424 nan 4.120 nan 0.000 0.246 100 V C 1.964 178.048 176.094 -0.017 0.000 1.049 100 V CA 4.810 67.106 62.300 -0.006 0.000 1.024 100 V CB -0.738 31.083 31.823 -0.003 0.000 0.648 100 V HN -0.070 8.119 8.190 -0.002 0.000 0.447 101 V N -0.077 119.824 119.914 -0.022 0.000 2.343 101 V HA -0.380 nan 4.120 nan 0.000 0.247 101 V C 1.906 177.969 176.094 -0.051 0.000 1.051 101 V CA 4.073 66.354 62.300 -0.032 0.000 1.036 101 V CB -1.048 30.757 31.823 -0.031 0.000 0.654 101 V HN -0.194 7.986 8.190 -0.018 0.000 0.451 102 L N -1.110 120.074 121.223 -0.064 0.000 2.056 102 L HA -0.356 nan 4.340 nan 0.000 0.207 102 L C 1.718 178.528 176.870 -0.100 0.000 1.078 102 L CA 2.959 57.734 54.840 -0.109 0.000 0.749 102 L CB -0.698 41.288 42.059 -0.123 0.000 0.901 102 L HN -0.039 8.160 8.230 -0.051 0.000 0.433 103 S N 0.019 115.689 115.700 -0.050 0.000 2.370 103 S HA -0.375 nan 4.470 nan 0.000 0.226 103 S C 2.625 177.217 174.600 -0.014 0.000 1.033 103 S CA 4.618 62.807 58.200 -0.018 0.000 1.011 103 S CB -0.831 62.373 63.200 0.008 0.000 0.852 103 S HN 0.216 8.504 8.310 -0.037 0.000 0.457 104 G N 0.853 109.639 108.800 -0.022 0.000 2.440 104 G HA2 -0.316 nan 3.960 nan 0.000 0.218 104 G HA3 -0.316 nan 3.960 nan 0.000 0.218 104 G C 1.078 175.963 174.900 -0.025 0.000 1.154 104 G CA 2.080 47.169 45.100 -0.019 0.000 0.767 104 G HN -0.090 8.185 8.290 -0.026 -0.000 0.552 105 E N 2.367 122.536 120.200 -0.052 0.000 2.107 105 E HA -0.141 nan 4.350 nan 0.000 0.191 105 E C 2.275 178.835 176.600 -0.067 0.000 0.982 105 E CA 1.859 58.219 56.400 -0.066 0.000 0.809 105 E CB -0.367 29.272 29.700 -0.102 0.000 0.756 105 E HN -0.431 7.818 8.360 -0.063 0.074 0.459 106 L N -0.549 120.614 121.223 -0.100 0.000 2.046 106 L HA -0.356 nan 4.340 nan 0.000 0.208 106 L C 2.475 179.431 176.870 0.144 0.000 1.077 106 L CA 3.331 58.121 54.840 -0.083 0.000 0.747 106 L CB -0.201 41.755 42.059 -0.172 0.000 0.896 106 L HN 0.495 8.545 8.230 -0.118 0.109 0.432 107 L N -2.400 118.883 121.223 0.101 0.000 2.093 107 L HA -0.421 nan 4.340 nan 0.000 0.208 107 L C 1.965 178.878 176.870 0.070 0.000 1.085 107 L CA 3.128 58.030 54.840 0.102 0.000 0.755 107 L CB -0.556 41.539 42.059 0.060 0.000 0.904 107 L HN 0.130 8.391 8.230 0.052 0.000 0.435 108 K N -0.380 120.044 120.400 0.040 0.000 2.002 108 K HA -0.420 nan 4.320 nan 0.000 0.209 108 K C 2.519 179.145 176.600 0.043 0.000 1.048 108 K CA 3.370 59.672 56.287 0.026 0.000 0.930 108 K CB -0.151 32.352 32.500 0.004 0.000 0.714 108 K HN -0.156 8.043 8.250 0.025 0.066 0.438 109 Q N -2.852 116.981 119.800 0.055 0.000 2.181 109 Q HA -0.284 nan 4.340 nan 0.000 0.205 109 Q C 2.537 178.609 176.000 0.121 0.000 0.980 109 Q CA 2.361 58.212 55.803 0.080 0.000 0.862 109 Q CB -0.482 28.304 28.738 0.080 0.000 0.905 109 Q HN 0.185 8.368 8.270 0.038 0.110 0.429 110 A N -0.429 122.485 122.820 0.156 0.000 1.873 110 A HA -0.270 nan 4.320 nan 0.000 0.215 110 A C 1.789 179.402 177.584 0.047 0.000 1.186 110 A CA 2.898 55.002 52.037 0.111 0.000 0.616 110 A CB -0.988 18.071 19.000 0.098 0.000 0.823 110 A HN -0.212 7.941 8.150 0.176 0.103 0.442 111 E N -2.545 117.679 120.200 0.040 0.000 2.169 111 E HA -0.438 nan 4.350 nan 0.000 0.202 111 E C 2.014 178.624 176.600 0.017 0.000 1.016 111 E CA 3.736 60.147 56.400 0.019 0.000 0.817 111 E CB -0.128 29.581 29.700 0.016 0.000 0.736 111 E HN -0.228 8.163 8.360 0.052 0.000 0.462 112 T N 1.477 116.047 114.554 0.027 0.000 2.737 112 T HA -0.230 nan 4.350 nan 0.000 0.265 112 T C 2.255 176.967 174.700 0.021 0.000 1.038 112 T CA 4.388 66.502 62.100 0.024 0.000 1.144 112 T CB -0.644 68.243 68.868 0.031 0.000 0.866 112 T HN -0.556 7.684 8.240 0.037 0.022 0.434 113 L N 0.539 121.777 121.223 0.025 0.000 2.093 113 L HA -0.322 nan 4.340 nan 0.000 0.208 113 L C 1.711 178.582 176.870 0.001 0.000 1.085 113 L CA 3.132 57.982 54.840 0.017 0.000 0.755 113 L CB -0.672 41.397 42.059 0.017 0.000 0.904 113 L HN -0.151 8.015 8.230 0.037 0.086 0.435 114 L N -1.384 119.834 121.223 -0.009 0.000 2.046 114 L HA -0.432 nan 4.340 nan 0.000 0.208 114 L C 2.618 179.481 176.870 -0.011 0.000 1.077 114 L CA 2.932 57.759 54.840 -0.022 0.000 0.747 114 L CB -0.710 41.331 42.059 -0.031 0.000 0.896 114 L HN 0.026 8.254 8.230 -0.004 0.000 0.432 115 D N -0.679 119.720 120.400 -0.002 0.000 2.123 115 D HA -0.187 nan 4.640 nan 0.000 0.196 115 D C 1.914 178.216 176.300 0.004 0.000 0.992 115 D CA 2.592 56.593 54.000 0.001 0.000 0.833 115 D CB -0.388 40.415 40.800 0.005 0.000 0.954 115 D HN -0.384 7.915 8.370 0.000 0.071 0.455 116 Q N -2.930 116.874 119.800 0.007 0.000 2.224 116 Q HA -0.088 nan 4.340 nan 0.000 0.203 116 Q C 0.811 176.817 176.000 0.010 0.000 0.970 116 Q CA 1.119 56.928 55.803 0.010 0.000 0.865 116 Q CB 0.780 29.526 28.738 0.013 0.000 0.922 116 Q HN -0.374 7.825 8.270 0.008 0.076 0.445 117 G N -3.707 105.099 108.800 0.009 0.000 2.164 117 G HA2 -0.263 nan 3.960 nan 0.000 0.154 117 G HA3 -0.263 nan 3.960 nan 0.000 0.154 117 G C -0.604 174.311 174.900 0.024 0.000 1.014 117 G CA -0.481 44.628 45.100 0.014 0.000 0.683 117 G HN -0.710 7.440 8.290 0.005 0.142 0.500 118 V N -0.401 119.523 119.914 0.017 0.000 2.555 118 V HA -0.055 nan 4.120 nan 0.000 0.286 118 V C 0.338 176.452 176.094 0.034 0.000 1.044 118 V CA 0.419 62.736 62.300 0.028 0.000 1.026 118 V CB 0.502 32.332 31.823 0.011 0.000 0.981 118 V HN -0.311 7.884 8.190 0.008 0.000 0.480 119 H N 8.354 127.407 119.070 -0.027 0.000 2.803 119 H HA 0.141 nan 4.556 nan 0.000 0.330 119 H C -0.766 174.533 175.328 -0.047 0.000 1.057 119 H CA -1.773 54.257 56.048 -0.030 0.000 1.458 119 H CB 1.442 31.189 29.762 -0.024 0.000 1.470 119 H HN 0.056 8.430 8.280 0.157 0.000 0.560 120 P HA -0.299 nan 4.420 nan 0.000 0.218 120 P C 0.689 177.963 177.300 -0.043 0.000 1.147 120 P CA 2.758 65.754 63.100 -0.175 0.000 0.827 120 P CB 0.160 31.715 31.700 -0.242 0.000 0.778 121 T N -6.321 108.336 114.554 0.172 0.000 2.896 121 T HA -0.088 nan 4.350 nan 0.000 0.263 121 T C 1.956 176.694 174.700 0.065 0.000 1.050 121 T CA 3.571 65.762 62.100 0.152 0.000 1.140 121 T CB -0.235 68.759 68.868 0.210 0.000 0.877 121 T HN -0.280 8.178 8.240 0.429 0.039 0.457 122 V N 0.666 120.628 119.914 0.079 0.000 2.667 122 V HA -0.178 nan 4.120 nan 0.000 0.252 122 V C 0.983 177.048 176.094 -0.048 0.000 1.065 122 V CA 2.988 65.296 62.300 0.012 0.000 1.083 122 V CB -1.195 30.638 31.823 0.018 0.000 0.692 122 V HN -0.118 8.077 8.190 0.166 0.095 0.468 123 I N 0.798 121.306 120.570 -0.103 0.000 2.179 123 I HA -0.553 nan 4.170 nan 0.000 0.242 123 I C 1.796 177.660 176.117 -0.422 0.000 1.088 123 I CA 4.590 65.719 61.300 -0.284 0.000 1.357 123 I CB -0.541 37.262 38.000 -0.329 0.000 1.051 123 I HN -0.189 7.977 8.210 -0.055 0.011 0.409 124 S N 0.100 115.653 115.700 -0.244 0.000 2.382 124 S HA -0.358 nan 4.470 nan 0.000 0.228 124 S C 2.448 177.029 174.600 -0.032 0.000 1.027 124 S CA 4.193 62.313 58.200 -0.133 0.000 0.991 124 S CB -0.654 62.524 63.200 -0.037 0.000 0.823 124 S HN -0.078 8.134 8.310 -0.165 0.000 0.469 125 N N 1.944 120.629 118.700 -0.025 0.000 2.142 125 N HA -0.254 nan 4.740 nan 0.000 0.186 125 N C 2.206 177.736 175.510 0.033 0.000 1.023 125 N CA 2.918 55.974 53.050 0.011 0.000 0.852 125 N CB -0.086 38.404 38.487 0.006 0.000 0.998 125 N HN 0.001 8.268 8.380 -0.038 0.091 0.424 126 G N 0.851 109.666 108.800 0.026 0.000 2.480 126 G HA2 -0.320 nan 3.960 nan 0.000 0.216 126 G HA3 -0.320 nan 3.960 nan 0.000 0.216 126 G C 1.250 176.266 174.900 0.194 0.000 1.200 126 G CA 2.263 47.421 45.100 0.097 0.000 0.782 126 G HN 0.441 8.609 8.290 -0.023 0.108 0.554 127 Y N 1.745 122.060 120.300 0.025 0.000 2.193 127 Y HA -0.296 nan 4.550 nan 0.000 0.285 127 Y C 2.490 178.305 175.900 -0.141 0.000 1.166 127 Y CA 0.837 58.931 58.100 -0.010 0.000 1.181 127 Y CB -1.014 37.535 38.460 0.148 0.000 0.976 127 Y HN -0.065 8.314 8.280 0.166 0.000 0.520 128 R N -0.609 119.954 120.500 0.104 0.000 2.075 128 R HA -0.276 nan 4.340 nan 0.000 0.232 128 R C 2.560 178.835 176.300 -0.041 0.000 1.126 128 R CA 2.591 58.704 56.100 0.021 0.000 0.963 128 R CB -0.667 29.654 30.300 0.036 0.000 0.858 128 R HN -0.414 7.857 8.270 0.136 0.080 0.435 129 L N -1.242 119.979 121.223 -0.004 0.000 1.994 129 L HA -0.400 nan 4.340 nan 0.000 0.208 129 L C 1.788 178.610 176.870 -0.079 0.000 1.071 129 L CA 3.155 58.016 54.840 0.033 0.000 0.745 129 L CB -0.491 41.650 42.059 0.137 0.000 0.892 129 L HN -0.086 8.163 8.230 0.031 0.000 0.431 130 A N -0.692 122.010 122.820 -0.197 0.000 1.851 130 A HA -0.351 nan 4.320 nan 0.000 0.216 130 A C 2.056 179.223 177.584 -0.695 0.000 1.195 130 A CA 3.412 55.134 52.037 -0.524 0.000 0.622 130 A CB -0.939 17.478 19.000 -0.971 0.000 0.831 130 A HN 0.266 8.347 8.150 -0.115 0.000 0.444 131 V N -1.448 118.028 119.914 -0.730 0.000 2.407 131 V HA -0.508 nan 4.120 nan 0.000 0.248 131 V C 1.639 177.601 176.094 -0.221 0.000 1.055 131 V CA 4.037 66.097 62.300 -0.400 0.000 1.049 131 V CB -0.517 31.204 31.823 -0.169 0.000 0.662 131 V HN 0.368 8.029 8.190 -0.703 0.107 0.455 132 N N -0.872 117.713 118.700 -0.192 0.000 2.120 132 N HA -0.388 nan 4.740 nan 0.000 0.188 132 N C 1.996 177.394 175.510 -0.187 0.000 1.024 132 N CA 3.591 56.557 53.050 -0.140 0.000 0.852 132 N CB -0.148 38.284 38.487 -0.093 0.000 1.003 132 N HN -0.184 8.081 8.380 -0.191 0.000 0.424 133 E N 0.496 120.520 120.200 -0.292 0.000 2.023 133 E HA -0.318 nan 4.350 nan 0.000 0.196 133 E C 1.877 178.318 176.600 -0.266 0.000 1.003 133 E CA 2.628 58.791 56.400 -0.394 0.000 0.809 133 E CB -0.336 28.881 29.700 -0.804 0.000 0.755 133 E HN -0.240 7.932 8.360 -0.313 0.000 0.449 134 A N -0.887 121.794 122.820 -0.231 0.000 1.917 134 A HA -0.358 nan 4.320 nan 0.000 0.219 134 A C 2.404 179.931 177.584 -0.095 0.000 1.182 134 A CA 3.236 55.203 52.037 -0.117 0.000 0.633 134 A CB -0.752 18.227 19.000 -0.034 0.000 0.819 134 A HN 0.182 8.156 8.150 -0.292 0.000 0.448 135 R N -3.528 116.909 120.500 -0.105 0.000 2.152 135 R HA -0.342 nan 4.340 nan 0.000 0.232 135 R C 2.701 178.945 176.300 -0.094 0.000 1.117 135 R CA 3.117 59.161 56.100 -0.093 0.000 0.981 135 R CB -0.236 30.007 30.300 -0.095 0.000 0.870 135 R HN 0.051 8.245 8.270 -0.125 0.001 0.451 136 K N -0.174 120.162 120.400 -0.106 0.000 2.021 136 K HA -0.156 nan 4.320 nan 0.000 0.205 136 K C 2.156 178.704 176.600 -0.085 0.000 1.047 136 K CA 1.917 58.148 56.287 -0.094 0.000 0.943 136 K CB -0.744 31.693 32.500 -0.104 0.000 0.725 136 K HN -0.258 7.783 8.250 -0.128 0.132 0.439 137 I N 0.224 120.738 120.570 -0.094 0.000 2.185 137 I HA -0.518 nan 4.170 nan 0.000 0.246 137 I C 1.880 177.961 176.117 -0.060 0.000 1.088 137 I CA 4.115 65.372 61.300 -0.071 0.000 1.347 137 I CB -0.093 37.867 38.000 -0.067 0.000 1.041 137 I HN 0.018 8.156 8.210 -0.119 0.000 0.415 138 I N -4.292 116.240 120.570 -0.064 0.000 2.546 138 I HA -0.439 nan 4.170 nan 0.000 0.255 138 I C 1.145 177.212 176.117 -0.084 0.000 1.163 138 I CA 3.531 64.790 61.300 -0.068 0.000 1.457 138 I CB -0.429 37.533 38.000 -0.062 0.000 1.092 138 I HN -0.047 8.115 8.210 -0.068 0.007 0.434 139 D N 0.320 120.672 120.400 -0.080 0.000 2.183 139 D HA -0.251 nan 4.640 nan 0.000 0.203 139 D C 1.881 178.135 176.300 -0.076 0.000 0.969 139 D CA 3.568 57.520 54.000 -0.080 0.000 0.842 139 D CB 0.072 40.830 40.800 -0.070 0.000 0.957 139 D HN -0.397 7.836 8.370 -0.077 0.091 0.484 140 E N -0.251 119.910 120.200 -0.066 0.000 2.015 140 E HA -0.202 nan 4.350 nan 0.000 0.191 140 E C 2.230 178.794 176.600 -0.061 0.000 0.991 140 E CA 2.457 58.824 56.400 -0.055 0.000 0.802 140 E CB 0.348 30.020 29.700 -0.045 0.000 0.759 140 E HN -0.572 7.663 8.360 -0.066 0.086 0.447 141 I N -7.129 113.404 120.570 -0.061 0.000 3.444 141 I HA -0.011 nan 4.170 nan 0.000 0.287 141 I C -0.361 175.676 176.117 -0.132 0.000 1.302 141 I CA -0.015 61.247 61.300 -0.063 0.000 1.368 141 I CB -0.235 37.748 38.000 -0.029 0.000 1.048 141 I HN -0.173 7.896 8.210 -0.058 0.106 0.487 142 A N -0.439 122.283 122.820 -0.164 0.000 2.511 142 A HA -0.115 nan 4.320 nan 0.000 0.242 142 A C -0.789 176.591 177.584 -0.340 0.000 1.069 142 A CA 0.165 52.044 52.037 -0.264 0.000 0.763 142 A CB 0.531 19.411 19.000 -0.200 0.000 1.001 142 A HN -0.640 7.259 8.150 -0.127 0.175 0.498 143 E N 4.238 124.062 120.200 -0.626 0.000 2.200 143 E HA 0.091 nan 4.350 nan 0.000 0.283 143 E C -1.262 174.989 176.600 -0.583 0.000 1.015 143 E CA -0.672 55.303 56.400 -0.708 0.000 0.819 143 E CB 2.305 31.249 29.700 -1.261 0.000 1.081 143 E HN 0.038 7.909 8.360 -0.814 0.000 0.397 144 K N 5.868 126.117 120.400 -0.252 0.000 2.118 144 K HA 0.507 nan 4.320 nan 0.000 0.264 144 K C -0.854 175.772 176.600 0.043 0.000 1.000 144 K CA -0.812 55.424 56.287 -0.086 0.000 0.929 144 K CB 0.932 33.402 32.500 -0.049 0.000 1.021 144 K HN 0.217 8.349 8.250 -0.197 0.000 0.463 145 S N 2.232 117.997 115.700 0.109 0.000 2.862 145 S HA -0.035 nan 4.470 nan 0.000 0.291 145 S C -1.543 173.118 174.600 0.101 0.000 0.772 145 S CA 0.342 58.626 58.200 0.141 0.000 0.762 145 S CB 0.763 64.119 63.200 0.261 0.000 0.963 145 S HN 0.488 8.749 8.310 0.080 0.098 0.537 146 T N 0.096 114.680 114.554 0.051 0.000 3.132 146 T HA 0.210 nan 4.350 nan 0.000 0.274 146 T C -0.582 174.120 174.700 0.003 0.000 1.011 146 T CA -0.845 61.267 62.100 0.021 0.000 0.899 146 T CB -0.227 68.650 68.868 0.015 0.000 1.089 146 T HN 0.142 8.409 8.240 0.046 0.000 0.543 147 D N 3.497 123.902 120.400 0.008 0.000 2.472 147 D HA -0.180 nan 4.640 nan 0.000 0.248 147 D C 0.696 176.977 176.300 -0.032 0.000 1.174 147 D CA 0.635 54.633 54.000 -0.004 0.000 0.883 147 D CB 0.951 41.758 40.800 0.012 0.000 1.149 147 D HN -0.848 7.451 8.370 0.029 0.089 0.488 148 D N 7.004 127.386 120.400 -0.031 0.000 2.190 148 D HA -0.344 nan 4.640 nan 0.000 0.200 148 D C 1.186 177.453 176.300 -0.056 0.000 0.992 148 D CA 3.643 57.616 54.000 -0.045 0.000 0.854 148 D CB -0.129 40.646 40.800 -0.041 0.000 0.936 148 D HN 0.525 8.882 8.370 -0.022 0.000 0.462 149 A N -2.296 120.497 122.820 -0.046 0.000 1.902 149 A HA -0.231 nan 4.320 nan 0.000 0.217 149 A C 1.954 179.488 177.584 -0.084 0.000 1.181 149 A CA 3.157 55.165 52.037 -0.048 0.000 0.623 149 A CB -0.633 18.353 19.000 -0.024 0.000 0.818 149 A HN -0.472 7.826 8.150 -0.032 -0.168 0.443 150 T N -1.492 112.991 114.554 -0.118 0.000 2.821 150 T HA -0.258 nan 4.350 nan 0.000 0.267 150 T C 2.032 176.587 174.700 -0.242 0.000 1.046 150 T CA 3.183 65.134 62.100 -0.248 0.000 1.139 150 T CB -0.659 67.996 68.868 -0.354 0.000 0.871 150 T HN -0.348 7.736 8.240 -0.086 0.105 0.454 151 L N 1.609 122.737 121.223 -0.157 0.000 2.013 151 L HA -0.496 nan 4.340 nan 0.000 0.212 151 L C 1.925 178.728 176.870 -0.113 0.000 1.073 151 L CA 3.419 58.185 54.840 -0.125 0.000 0.753 151 L CB -0.963 41.045 42.059 -0.084 0.000 0.890 151 L HN -0.312 7.779 8.230 -0.125 0.064 0.432 152 R N -1.300 119.141 120.500 -0.097 0.000 2.091 152 R HA -0.424 nan 4.340 nan 0.000 0.238 152 R C 2.133 178.385 176.300 -0.080 0.000 1.136 152 R CA 3.839 59.892 56.100 -0.079 0.000 0.959 152 R CB -0.209 30.054 30.300 -0.062 0.000 0.856 152 R HN 0.049 8.264 8.270 -0.092 0.000 0.437 153 K N -0.450 119.888 120.400 -0.104 0.000 2.211 153 K HA -0.261 nan 4.320 nan 0.000 0.203 153 K C 2.463 178.998 176.600 -0.109 0.000 1.050 153 K CA 3.297 59.526 56.287 -0.098 0.000 0.945 153 K CB -0.323 32.106 32.500 -0.118 0.000 0.732 153 K HN -0.438 7.659 8.250 -0.120 0.081 0.451 154 I N -0.137 120.345 120.570 -0.147 0.000 2.163 154 I HA -0.440 nan 4.170 nan 0.000 0.240 154 I C 1.813 177.890 176.117 -0.067 0.000 1.081 154 I CA 2.878 64.107 61.300 -0.118 0.000 1.353 154 I CB -1.036 36.889 38.000 -0.126 0.000 1.054 154 I HN 0.178 8.166 8.210 -0.176 0.116 0.407 155 A N 0.547 123.329 122.820 -0.064 0.000 1.883 155 A HA -0.308 nan 4.320 nan 0.000 0.217 155 A C 2.260 179.824 177.584 -0.033 0.000 1.186 155 A CA 3.450 55.459 52.037 -0.047 0.000 0.624 155 A CB -0.768 18.200 19.000 -0.054 0.000 0.822 155 A HN -0.149 7.954 8.150 -0.078 0.000 0.444 156 L N -3.427 117.777 121.223 -0.032 0.000 2.081 156 L HA -0.408 nan 4.340 nan 0.000 0.212 156 L C 2.653 179.520 176.870 -0.006 0.000 1.080 156 L CA 3.059 57.890 54.840 -0.015 0.000 0.754 156 L CB -1.339 40.713 42.059 -0.012 0.000 0.893 156 L HN 0.221 8.425 8.230 -0.043 0.000 0.433 157 T N -0.513 114.035 114.554 -0.009 0.000 2.857 157 T HA -0.187 nan 4.350 nan 0.000 0.266 157 T C 2.402 177.104 174.700 0.003 0.000 1.048 157 T CA 4.161 66.263 62.100 0.003 0.000 1.139 157 T CB -0.244 68.626 68.868 0.005 0.000 0.874 157 T HN -0.662 7.556 8.240 -0.022 0.009 0.455 158 A N 2.528 125.344 122.820 -0.007 0.000 1.969 158 A HA -0.088 nan 4.320 nan 0.000 0.218 158 A C 1.345 178.928 177.584 -0.002 0.000 1.169 158 A CA 2.757 54.791 52.037 -0.005 0.000 0.635 158 A CB -0.511 18.482 19.000 -0.012 0.000 0.810 158 A HN -0.056 8.007 8.150 -0.016 0.078 0.445 159 L N -4.848 116.374 121.223 -0.002 0.000 2.592 159 L HA 0.098 nan 4.340 nan 0.000 0.227 159 L C 1.473 178.348 176.870 0.010 0.000 1.127 159 L CA 0.057 54.899 54.840 0.003 0.000 0.884 159 L CB -0.355 41.706 42.059 0.003 0.000 1.065 159 L HN -0.168 8.040 8.230 -0.006 0.019 0.457 160 S N 1.469 117.174 115.700 0.010 0.000 2.377 160 S HA -0.278 nan 4.470 nan 0.000 0.224 160 S C 1.220 175.828 174.600 0.014 0.000 1.042 160 S CA 2.996 61.204 58.200 0.013 0.000 1.086 160 S CB -0.163 63.046 63.200 0.015 0.000 0.995 160 S HN -0.662 7.474 8.310 0.008 0.179 0.428 161 G N -0.876 107.932 108.800 0.012 0.000 3.591 161 G HA2 0.069 nan 3.960 nan 0.000 0.282 161 G HA3 0.069 nan 3.960 nan 0.000 0.282 161 G C -0.951 173.956 174.900 0.012 0.000 1.238 161 G CA -0.327 44.781 45.100 0.012 0.000 0.993 161 G HN 0.273 8.570 8.290 0.011 0.000 0.542 162 K N 0.252 120.660 120.400 0.013 0.000 2.123 162 K HA 0.218 nan 4.320 nan 0.000 0.248 162 K C -0.617 175.994 176.600 0.018 0.000 0.969 162 K CA -2.735 53.560 56.287 0.014 0.000 0.882 162 K CB 1.949 34.456 32.500 0.013 0.000 1.080 162 K HN -0.830 7.351 8.250 0.014 0.077 0.441 163 N N 1.442 120.154 118.700 0.020 0.000 3.245 163 N HA 0.070 nan 4.740 nan 0.000 0.296 163 N C 0.215 175.743 175.510 0.030 0.000 1.254 163 N CA -0.056 53.008 53.050 0.025 0.000 1.190 163 N CB -0.872 37.630 38.487 0.026 0.000 1.460 163 N HN 0.328 8.718 8.380 0.017 0.000 0.538 164 T N -3.244 111.330 114.554 0.033 0.000 3.023 164 T HA 0.295 nan 4.350 nan 0.000 0.253 164 T C 0.153 174.882 174.700 0.049 0.000 1.038 164 T CA -0.900 61.225 62.100 0.043 0.000 0.962 164 T CB 1.010 69.904 68.868 0.044 0.000 1.018 164 T HN -0.288 7.914 8.240 0.029 0.055 0.521 165 G N 2.544 111.367 108.800 0.039 0.000 2.481 165 G HA2 -0.245 nan 3.960 nan 0.000 0.230 165 G HA3 -0.245 nan 3.960 nan 0.000 0.230 165 G C -0.393 174.529 174.900 0.037 0.000 1.210 165 G CA 0.362 45.483 45.100 0.036 0.000 0.936 165 G HN -0.367 7.943 8.290 0.033 0.000 0.583 166 L N 1.753 122.998 121.223 0.038 0.000 2.638 166 L HA 0.260 nan 4.340 nan 0.000 0.232 166 L C 1.319 178.225 176.870 0.060 0.000 1.099 166 L CA -0.607 54.256 54.840 0.038 0.000 0.883 166 L CB -0.273 41.801 42.059 0.025 0.000 1.136 166 L HN 0.263 8.513 8.230 0.034 0.000 0.492 167 S N 0.590 116.340 115.700 0.084 0.000 2.571 167 S HA -0.305 nan 4.470 nan 0.000 0.245 167 S C 0.950 175.670 174.600 0.199 0.000 0.976 167 S CA 2.185 60.483 58.200 0.162 0.000 0.954 167 S CB -0.362 62.969 63.200 0.218 0.000 0.756 167 S HN 0.129 8.482 8.310 0.072 0.000 0.535 168 N N 2.180 120.947 118.700 0.111 0.000 2.037 168 N HA -0.369 nan 4.740 nan 0.000 0.196 168 N C 1.740 177.288 175.510 0.064 0.000 1.034 168 N CA 3.290 56.384 53.050 0.073 0.000 0.861 168 N CB -0.717 37.796 38.487 0.043 0.000 1.039 168 N HN 0.191 8.513 8.380 0.086 0.110 0.427 169 D N -0.259 120.188 120.400 0.078 0.000 2.149 169 D HA -0.299 nan 4.640 nan 0.000 0.198 169 D C 2.249 178.602 176.300 0.089 0.000 0.990 169 D CA 3.459 57.497 54.000 0.063 0.000 0.839 169 D CB -0.301 40.538 40.800 0.064 0.000 0.948 169 D HN -0.165 8.253 8.370 0.081 0.000 0.460 170 F N 0.711 120.660 119.950 -0.002 0.000 2.146 170 F HA -0.224 nan 4.527 nan 0.000 0.298 170 F C 0.706 176.509 175.800 0.004 0.000 1.096 170 F CA 2.788 60.788 58.000 0.001 0.000 1.275 170 F CB 0.232 39.236 39.000 0.008 0.000 1.008 170 F HN -0.728 7.638 8.300 0.278 0.102 0.480 171 L N -1.084 120.002 121.223 -0.228 0.000 2.027 171 L HA -0.494 nan 4.340 nan 0.000 0.206 171 L C 1.873 178.612 176.870 -0.219 0.000 1.074 171 L CA 2.908 57.559 54.840 -0.315 0.000 0.745 171 L CB -0.606 41.397 42.059 -0.094 0.000 0.898 171 L HN 0.099 8.283 8.230 0.059 0.081 0.433 172 A N -0.798 121.952 122.820 -0.117 0.000 1.903 172 A HA -0.506 nan 4.320 nan 0.000 0.219 172 A C 1.826 179.339 177.584 -0.118 0.000 1.191 172 A CA 3.617 55.600 52.037 -0.090 0.000 0.638 172 A CB -1.115 17.854 19.000 -0.052 0.000 0.823 172 A HN 0.784 8.779 8.150 -0.073 0.111 0.451 173 D N -1.571 118.747 120.400 -0.137 0.000 2.144 173 D HA -0.247 nan 4.640 nan 0.000 0.199 173 D C 2.483 178.660 176.300 -0.205 0.000 0.984 173 D CA 3.310 57.223 54.000 -0.145 0.000 0.834 173 D CB -0.541 40.196 40.800 -0.105 0.000 0.955 173 D HN -0.442 7.858 8.370 -0.121 -0.003 0.465 174 L N -0.313 120.743 121.223 -0.279 0.000 2.017 174 L HA -0.361 nan 4.340 nan 0.000 0.208 174 L C 1.964 178.745 176.870 -0.148 0.000 1.073 174 L CA 2.972 57.662 54.840 -0.251 0.000 0.745 174 L CB -0.167 41.718 42.059 -0.289 0.000 0.894 174 L HN -0.833 7.096 8.230 -0.355 0.088 0.432 175 V N -0.199 119.642 119.914 -0.123 0.000 2.219 175 V HA -0.521 nan 4.120 nan 0.000 0.248 175 V C 1.978 178.030 176.094 -0.071 0.000 1.053 175 V CA 4.653 66.911 62.300 -0.070 0.000 1.009 175 V CB -1.081 30.702 31.823 -0.067 0.000 0.636 175 V HN -0.030 8.067 8.190 -0.154 0.000 0.445 176 V N -0.952 118.906 119.914 -0.093 0.000 2.324 176 V HA -0.580 nan 4.120 nan 0.000 0.250 176 V C 1.738 177.766 176.094 -0.109 0.000 1.060 176 V CA 4.642 66.889 62.300 -0.089 0.000 1.042 176 V CB -1.227 30.540 31.823 -0.094 0.000 0.650 176 V HN -0.223 7.906 8.190 -0.101 0.000 0.450 177 K N -0.741 119.552 120.400 -0.178 0.000 2.032 177 K HA -0.427 nan 4.320 nan 0.000 0.209 177 K C 2.051 178.518 176.600 -0.221 0.000 1.048 177 K CA 3.453 59.564 56.287 -0.294 0.000 0.927 177 K CB -0.159 32.023 32.500 -0.531 0.000 0.712 177 K HN -0.175 7.963 8.250 -0.188 -0.000 0.441 178 A N -1.243 121.536 122.820 -0.069 0.000 1.873 178 A HA -0.218 nan 4.320 nan 0.000 0.215 178 A C 2.196 179.833 177.584 0.089 0.000 1.186 178 A CA 3.076 55.229 52.037 0.194 0.000 0.616 178 A CB -0.580 18.561 19.000 0.236 0.000 0.823 178 A HN 0.010 7.927 8.150 -0.094 0.177 0.442 179 V N -0.718 119.210 119.914 0.023 0.000 2.252 179 V HA -0.596 nan 4.120 nan 0.000 0.249 179 V C 1.982 178.080 176.094 0.006 0.000 1.056 179 V CA 4.987 67.292 62.300 0.009 0.000 1.022 179 V CB -0.770 31.045 31.823 -0.013 0.000 0.641 179 V HN 0.460 8.651 8.190 0.001 0.000 0.445 180 N N -2.531 116.161 118.700 -0.015 0.000 2.443 180 N HA -0.302 nan 4.740 nan 0.000 0.184 180 N C 0.609 176.122 175.510 0.006 0.000 1.037 180 N CA 2.395 55.436 53.050 -0.015 0.000 0.896 180 N CB -0.016 38.448 38.487 -0.038 0.000 0.959 180 N HN 0.256 8.616 8.380 -0.035 0.000 0.442 181 A N -1.825 121.015 122.820 0.033 0.000 1.930 181 A HA 0.000 nan 4.320 nan 0.000 0.215 181 A C 1.314 178.935 177.584 0.061 0.000 1.176 181 A CA 2.388 54.470 52.037 0.074 0.000 0.632 181 A CB 0.399 19.509 19.000 0.183 0.000 0.819 181 A HN -0.468 7.540 8.150 0.035 0.164 0.445 182 V N -8.426 111.519 119.914 0.052 0.000 3.644 182 V HA 0.250 nan 4.120 nan 0.000 0.267 182 V C 0.161 176.267 176.094 0.020 0.000 1.277 182 V CA -1.151 61.169 62.300 0.034 0.000 1.096 182 V CB -0.095 31.746 31.823 0.030 0.000 0.828 182 V HN -0.726 7.498 8.190 0.056 0.000 0.446 183 A N 1.365 124.196 122.820 0.017 0.000 2.520 183 A HA -0.025 nan 4.320 nan 0.000 0.245 183 A C -1.235 176.355 177.584 0.009 0.000 1.072 183 A CA 0.832 52.875 52.037 0.009 0.000 0.761 183 A CB 0.238 19.240 19.000 0.004 0.000 1.004 183 A HN -0.321 7.841 8.150 0.020 0.000 0.499 184 E N 2.498 122.701 120.200 0.007 0.000 2.369 184 E HA 0.364 nan 4.350 nan 0.000 0.270 184 E C -1.874 174.729 176.600 0.004 0.000 0.909 184 E CA -2.152 54.252 56.400 0.006 0.000 0.775 184 E CB 2.898 32.602 29.700 0.006 0.000 1.270 184 E HN 0.510 8.873 8.360 0.006 0.000 0.445 185 V N 1.209 121.125 119.914 0.004 0.000 2.347 185 V HA 0.518 nan 4.120 nan 0.000 0.280 185 V C -0.543 175.553 176.094 0.003 0.000 1.021 185 V CA -0.938 61.364 62.300 0.003 0.000 0.847 185 V CB 0.583 32.407 31.823 0.003 0.000 0.990 185 V HN 0.266 8.458 8.190 0.004 0.000 0.444 186 R N 6.901 127.402 120.500 0.003 0.000 2.465 186 R HA 0.294 nan 4.340 nan 0.000 0.198 186 R C -0.720 175.581 176.300 0.002 0.000 1.188 186 R CA -2.438 53.663 56.100 0.002 0.000 1.080 186 R CB 0.863 31.165 30.300 0.002 0.000 1.862 186 R HN 0.938 9.210 8.270 0.003 0.000 0.517 187 D N 1.025 121.427 120.400 0.002 0.000 2.385 187 D HA -0.226 nan 4.640 nan 0.000 0.260 187 D C 0.621 176.921 176.300 0.002 0.000 1.326 187 D CA 1.285 55.286 54.000 0.002 0.000 1.023 187 D CB -0.467 40.333 40.800 0.001 0.000 1.083 187 D HN -0.143 8.228 8.370 0.002 0.000 0.517 188 G N 2.948 111.749 108.800 0.002 0.000 2.322 188 G HA2 -0.488 nan 3.960 nan 0.000 0.264 188 G HA3 -0.488 nan 3.960 nan 0.000 0.264 188 G C -1.785 173.116 174.900 0.002 0.000 0.992 188 G CA 1.198 46.299 45.100 0.002 0.000 0.624 188 G HN 0.085 8.360 8.290 0.002 0.016 0.543 189 K N -1.538 118.863 120.400 0.002 0.000 2.203 189 K HA 0.281 nan 4.320 nan 0.000 0.251 189 K C -0.950 175.652 176.600 0.003 0.000 0.944 189 K CA -1.920 54.368 56.287 0.002 0.000 0.829 189 K CB 1.243 33.744 32.500 0.002 0.000 1.125 189 K HN -0.502 7.641 8.250 0.002 0.108 0.430 190 T N 2.973 117.528 114.554 0.003 0.000 2.761 190 T HA 0.348 nan 4.350 nan 0.000 0.296 190 T C -0.532 174.170 174.700 0.003 0.000 0.934 190 T CA 0.890 62.991 62.100 0.003 0.000 1.091 190 T CB -0.371 68.498 68.868 0.002 0.000 0.896 190 T HN 0.254 8.496 8.240 0.003 0.000 0.515 191 I N 8.159 128.731 120.570 0.003 0.000 2.474 191 I HA 0.403 nan 4.170 nan 0.000 0.294 191 I C -1.800 174.319 176.117 0.003 0.000 1.005 191 I CA -1.026 60.276 61.300 0.003 0.000 1.113 191 I CB 3.656 41.658 38.000 0.003 0.000 1.289 191 I HN 1.014 9.116 8.210 0.003 0.110 0.436 192 V N 1.652 121.568 119.914 0.003 0.000 2.380 192 V HA 0.463 nan 4.120 nan 0.000 0.286 192 V C -1.784 174.311 176.094 0.003 0.000 1.015 192 V CA -2.633 59.669 62.300 0.004 0.000 0.834 192 V CB 0.567 32.392 31.823 0.003 0.000 1.009 192 V HN 0.151 8.668 8.190 0.003 -0.325 0.428 193 D N 5.359 125.761 120.400 0.003 0.000 2.339 193 D HA 0.151 nan 4.640 nan 0.000 0.241 193 D C 1.199 177.499 176.300 0.001 0.000 1.183 193 D CA -0.408 53.592 54.000 0.000 0.000 0.859 193 D CB 1.555 42.354 40.800 -0.001 0.000 1.067 193 D HN 0.144 8.516 8.370 0.004 0.000 0.484 194 T N 2.563 117.116 114.554 -0.001 0.000 2.962 194 T HA -0.102 nan 4.350 nan 0.000 0.270 194 T C 1.405 176.102 174.700 -0.005 0.000 1.088 194 T CA 2.048 64.147 62.100 -0.002 0.000 1.127 194 T CB -0.465 68.400 68.868 -0.004 0.000 0.883 194 T HN 0.399 8.637 8.240 -0.002 0.000 0.493 195 A N 1.473 124.289 122.820 -0.007 0.000 2.216 195 A HA -0.214 nan 4.320 nan 0.000 0.214 195 A C 1.004 178.581 177.584 -0.012 0.000 1.160 195 A CA 2.299 54.330 52.037 -0.010 0.000 0.725 195 A CB -0.711 18.283 19.000 -0.010 0.000 0.784 195 A HN -0.122 8.244 8.150 -0.006 -0.220 0.472 196 N N -3.021 115.674 118.700 -0.008 0.000 2.422 196 N HA -0.022 nan 4.740 nan 0.000 0.181 196 N C -0.919 174.583 175.510 -0.013 0.000 1.080 196 N CA 0.896 53.940 53.050 -0.009 0.000 0.893 196 N CB 1.209 39.695 38.487 -0.001 0.000 0.973 196 N HN -0.600 7.603 8.380 -0.004 0.175 0.456 197 I N 0.095 120.659 120.570 -0.009 0.000 2.306 197 I HA 0.066 nan 4.170 nan 0.000 0.288 197 I C -1.433 174.669 176.117 -0.026 0.000 1.036 197 I CA -0.481 60.814 61.300 -0.010 0.000 1.221 197 I CB 0.145 38.152 38.000 0.012 0.000 1.385 197 I HN -0.112 7.917 8.210 -0.007 0.177 0.472 198 K N 9.268 129.639 120.400 -0.048 0.000 2.284 198 K HA 0.175 nan 4.320 nan 0.000 0.287 198 K C -2.065 174.501 176.600 -0.058 0.000 1.081 198 K CA -0.854 55.398 56.287 -0.058 0.000 0.910 198 K CB 0.650 33.101 32.500 -0.083 0.000 1.088 198 K HN 0.471 8.684 8.250 -0.062 0.000 0.478 199 V N 6.284 126.174 119.914 -0.040 0.000 2.435 199 V HA 0.527 nan 4.120 nan 0.000 0.290 199 V C -0.869 175.205 176.094 -0.033 0.000 1.030 199 V CA -1.158 61.124 62.300 -0.031 0.000 0.881 199 V CB 1.502 33.316 31.823 -0.016 0.000 0.983 199 V HN 0.245 8.415 8.190 -0.034 0.000 0.445 200 D N 6.514 126.895 120.400 -0.031 0.000 2.579 200 D HA 0.495 nan 4.640 nan 0.000 0.257 200 D C -2.452 173.844 176.300 -0.007 0.000 1.176 200 D CA -2.031 51.953 54.000 -0.028 0.000 0.914 200 D CB 4.462 45.230 40.800 -0.053 0.000 1.431 200 D HN 0.851 9.205 8.370 -0.027 0.000 0.454 201 K N -2.809 117.593 120.400 0.002 0.000 2.482 201 K HA 0.805 nan 4.320 nan 0.000 0.257 201 K C -1.830 174.786 176.600 0.026 0.000 0.969 201 K CA -1.913 54.386 56.287 0.020 0.000 0.842 201 K CB 3.638 36.152 32.500 0.023 0.000 1.359 201 K HN -0.085 8.163 8.250 -0.003 0.000 0.441 202 K N 1.387 121.810 120.400 0.039 0.000 2.553 202 K HA 0.282 nan 4.320 nan 0.000 0.250 202 K C -0.762 175.865 176.600 0.045 0.000 0.953 202 K CA -1.441 54.872 56.287 0.042 0.000 0.800 202 K CB 2.428 34.960 32.500 0.053 0.000 1.243 202 K HN 0.602 8.879 8.250 0.046 0.000 0.435 203 N N 3.822 122.546 118.700 0.041 0.000 2.580 203 N HA -0.287 nan 4.740 nan 0.000 0.193 203 N C 0.734 176.266 175.510 0.037 0.000 1.075 203 N CA 1.364 54.437 53.050 0.039 0.000 0.921 203 N CB -0.409 38.099 38.487 0.035 0.000 0.950 203 N HN 0.453 8.855 8.380 0.038 0.000 0.449 204 G N -1.913 106.911 108.800 0.039 0.000 2.321 204 G HA2 -0.109 nan 3.960 nan 0.000 0.237 204 G HA3 -0.109 nan 3.960 nan 0.000 0.237 204 G C -0.250 174.671 174.900 0.035 0.000 1.282 204 G CA -0.251 44.870 45.100 0.035 0.000 0.886 204 G HN -0.420 7.820 8.290 0.044 0.076 0.528 205 G N -0.477 108.339 108.800 0.027 0.000 2.653 205 G HA2 -0.010 nan 3.960 nan 0.000 0.265 205 G HA3 -0.010 nan 3.960 nan 0.000 0.265 205 G C -0.745 174.168 174.900 0.023 0.000 1.237 205 G CA -0.426 44.688 45.100 0.024 0.000 0.946 205 G HN 0.002 8.305 8.290 0.022 0.000 0.522 206 S N -1.720 113.990 115.700 0.018 0.000 1.317 206 S HA -0.254 nan 4.470 nan 0.000 0.251 206 S C 1.064 175.671 174.600 0.013 0.000 0.657 206 S CA 0.840 59.043 58.200 0.005 0.000 1.072 206 S CB -0.257 62.938 63.200 -0.009 0.000 1.133 206 S HN -0.202 8.120 8.310 0.019 0.000 0.492 207 V N -0.307 119.638 119.914 0.051 0.000 0.481 207 V HA -0.593 nan 4.120 nan 0.000 0.092 207 V C 0.922 177.097 176.094 0.136 0.000 2.400 207 V CA 3.654 66.016 62.300 0.104 0.000 3.646 207 V CB -1.384 30.499 31.823 0.099 0.000 0.927 207 V HN 0.624 8.847 8.190 0.055 0.000 0.973 208 N N 0.804 119.471 118.700 -0.054 0.000 2.585 208 N HA -0.112 nan 4.740 nan 0.000 0.188 208 N C -0.478 174.911 175.510 -0.202 0.000 1.102 208 N CA 2.098 54.899 53.050 -0.414 0.000 0.920 208 N CB -0.546 37.667 38.487 -0.456 0.000 0.963 208 N HN 0.205 8.473 8.380 -0.065 0.073 0.447 209 D N -3.446 116.958 120.400 0.006 0.000 2.349 209 D HA 0.060 nan 4.640 nan 0.000 0.224 209 D C -0.002 176.398 176.300 0.166 0.000 1.029 209 D CA 0.056 54.095 54.000 0.064 0.000 0.879 209 D CB -0.199 40.630 40.800 0.049 0.000 0.906 209 D HN -0.176 8.228 8.370 0.016 -0.024 0.528 210 T N 2.262 116.983 114.554 0.279 0.000 2.934 210 T HA -0.090 nan 4.350 nan 0.000 0.306 210 T C -0.617 174.268 174.700 0.310 0.000 1.042 210 T CA 2.115 64.383 62.100 0.280 0.000 1.145 210 T CB 0.168 69.214 68.868 0.296 0.000 0.982 210 T HN -0.374 7.886 8.240 0.334 0.181 0.544 211 Q N 4.527 124.454 119.800 0.211 0.000 2.351 211 Q HA 0.353 nan 4.340 nan 0.000 0.273 211 Q C -1.575 174.537 176.000 0.186 0.000 1.077 211 Q CA -1.658 54.272 55.803 0.213 0.000 0.843 211 Q CB 4.201 33.046 28.738 0.179 0.000 1.367 211 Q HN 0.250 8.621 8.270 0.168 0.000 0.449 212 F N 2.237 122.235 119.950 0.079 0.000 2.402 212 F HA 0.528 nan 4.527 nan 0.000 0.355 212 F C -1.510 174.331 175.800 0.069 0.000 1.123 212 F CA -1.212 56.813 58.000 0.042 0.000 1.021 212 F CB 1.369 40.376 39.000 0.012 0.000 1.160 212 F HN 0.146 8.632 8.300 0.311 0.000 0.451 213 I N 8.410 128.619 120.570 -0.601 0.000 2.441 213 I HA 0.237 nan 4.170 nan 0.000 0.295 213 I C -0.940 174.842 176.117 -0.558 0.000 0.994 213 I CA -1.042 60.049 61.300 -0.348 0.000 1.144 213 I CB 3.188 41.144 38.000 -0.074 0.000 1.314 213 I HN 0.931 8.640 8.210 -0.657 0.107 0.445 214 S N 8.024 123.560 115.700 -0.273 0.000 3.729 214 S HA 0.224 nan 4.470 nan 0.000 0.235 214 S C -1.154 173.393 174.600 -0.089 0.000 1.367 214 S CA -0.376 57.724 58.200 -0.165 0.000 0.907 214 S CB -1.137 62.065 63.200 0.003 0.000 1.471 214 S HN 0.629 8.865 8.310 -0.124 0.000 0.476 215 G N 0.793 109.519 108.800 -0.122 0.000 2.327 215 G HA2 0.185 nan 3.960 nan 0.000 0.291 215 G HA3 0.185 nan 3.960 nan 0.000 0.291 215 G C -3.038 171.795 174.900 -0.111 0.000 1.290 215 G CA 0.437 45.492 45.100 -0.075 0.000 0.857 215 G HN -0.604 7.537 8.290 -0.194 0.033 0.520 216 I N -0.496 120.013 120.570 -0.102 0.000 2.354 216 I HA 0.536 nan 4.170 nan 0.000 0.292 216 I C -1.531 174.458 176.117 -0.213 0.000 0.989 216 I CA -2.777 58.442 61.300 -0.134 0.000 1.188 216 I CB 1.016 38.959 38.000 -0.094 0.000 1.342 216 I HN 0.222 8.387 8.210 -0.075 0.000 0.457 217 V N 8.604 128.339 119.914 -0.298 0.000 2.439 217 V HA 0.668 nan 4.120 nan 0.000 0.282 217 V C -1.774 174.128 176.094 -0.320 0.000 1.039 217 V CA -1.865 60.126 62.300 -0.516 0.000 0.913 217 V CB 1.812 33.261 31.823 -0.622 0.000 0.983 217 V HN 0.060 8.105 8.190 -0.241 0.000 0.460 218 I N 8.850 129.242 120.570 -0.297 0.000 2.447 218 I HA 0.282 nan 4.170 nan 0.000 0.287 218 I C -1.653 174.401 176.117 -0.106 0.000 1.023 218 I CA -1.035 60.177 61.300 -0.146 0.000 1.083 218 I CB 3.277 41.231 38.000 -0.076 0.000 1.245 218 I HN 0.777 8.755 8.210 -0.387 0.000 0.434 219 D N 10.308 130.664 120.400 -0.074 0.000 2.745 219 D HA -0.108 nan 4.640 nan 0.000 0.229 219 D C -1.425 174.871 176.300 -0.006 0.000 1.088 219 D CA 0.035 54.014 54.000 -0.035 0.000 1.054 219 D CB -1.095 39.688 40.800 -0.028 0.000 1.132 219 D HN 0.280 8.605 8.370 -0.075 0.000 0.464 220 K N -0.466 119.941 120.400 0.011 0.000 2.542 220 K HA 0.276 nan 4.320 nan 0.000 0.259 220 K C -2.308 174.324 176.600 0.053 0.000 0.932 220 K CA -1.638 54.665 56.287 0.026 0.000 0.820 220 K CB 4.539 37.054 32.500 0.025 0.000 1.345 220 K HN -0.050 8.160 8.250 0.013 0.048 0.432 221 E N 2.549 122.769 120.200 0.033 0.000 2.250 221 E HA 0.544 nan 4.350 nan 0.000 0.265 221 E C -0.990 175.589 176.600 -0.035 0.000 1.033 221 E CA -1.966 54.451 56.400 0.028 0.000 0.888 221 E CB 2.498 32.205 29.700 0.011 0.000 1.151 221 E HN 0.258 8.628 8.360 0.017 0.000 0.412 222 K N -0.199 120.126 120.400 -0.125 0.000 2.401 222 K HA -0.086 nan 4.320 nan 0.000 0.278 222 K C 1.241 177.731 176.600 -0.183 0.000 1.018 222 K CA 0.276 56.346 56.287 -0.361 0.000 0.981 222 K CB 0.245 32.300 32.500 -0.743 0.000 0.933 222 K HN -0.030 8.538 8.250 -0.065 -0.358 0.477 223 V N -5.348 114.480 119.914 -0.143 0.000 2.568 223 V HA -0.229 nan 4.120 nan 0.000 0.253 223 V C -0.455 175.641 176.094 0.003 0.000 1.072 223 V CA 1.758 64.028 62.300 -0.051 0.000 1.084 223 V CB -0.463 31.348 31.823 -0.020 0.000 0.676 223 V HN 0.517 8.594 8.190 -0.189 0.000 0.469 224 H N -0.063 118.933 119.070 -0.125 0.000 2.667 224 H HA 0.258 nan 4.556 nan 0.000 0.353 224 H C 0.417 175.694 175.328 -0.086 0.000 1.072 224 H CA -1.114 54.881 56.048 -0.090 0.000 1.214 224 H CB 2.899 32.613 29.762 -0.079 0.000 1.600 224 H HN -0.766 7.455 8.280 -0.026 0.043 0.527 225 S N 6.658 122.159 115.700 -0.331 0.000 2.365 225 S HA -0.400 nan 4.470 nan 0.000 0.225 225 S C 1.167 175.783 174.600 0.026 0.000 1.039 225 S CA 3.576 61.682 58.200 -0.157 0.000 1.033 225 S CB 0.001 63.069 63.200 -0.220 0.000 0.887 225 S HN 0.710 8.665 8.310 -0.593 0.000 0.447 226 K N -0.230 120.302 120.400 0.220 0.000 2.585 226 K HA -0.205 nan 4.320 nan 0.000 0.194 226 K C -0.259 176.428 176.600 0.145 0.000 1.037 226 K CA 0.796 57.217 56.287 0.223 0.000 0.964 226 K CB -0.116 32.546 32.500 0.270 0.000 0.787 226 K HN -0.778 7.546 8.250 0.124 0.000 0.488 227 M N 0.750 120.432 119.600 0.137 0.000 2.235 227 M HA 0.225 nan 4.480 nan 0.000 0.351 227 M C -1.881 174.469 176.300 0.083 0.000 1.178 227 M CA -2.162 53.170 55.300 0.052 0.000 1.143 227 M CB -0.272 32.298 32.600 -0.051 0.000 1.530 227 M HN -0.311 7.893 8.290 0.162 0.183 0.461 228 P HA -0.181 nan 4.420 nan 0.000 0.266 228 P C -1.832 175.616 177.300 0.247 0.000 1.186 228 P CA 0.684 63.881 63.100 0.163 0.000 0.767 228 P CB 0.463 32.260 31.700 0.161 0.000 0.820 229 D N 0.080 120.579 120.400 0.165 0.000 2.323 229 D HA -0.059 nan 4.640 nan 0.000 0.209 229 D C -0.999 175.387 176.300 0.142 0.000 0.973 229 D CA 1.122 55.226 54.000 0.173 0.000 0.874 229 D CB 0.816 41.671 40.800 0.090 0.000 0.930 229 D HN 0.141 8.578 8.370 0.111 0.000 0.521 230 V N -3.612 116.351 119.914 0.082 0.000 2.891 230 V HA 0.477 nan 4.120 nan 0.000 0.304 230 V C -1.846 174.234 176.094 -0.024 0.000 1.171 230 V CA -1.277 61.017 62.300 -0.010 0.000 0.943 230 V CB 3.359 35.173 31.823 -0.014 0.000 1.037 230 V HN -0.814 7.397 8.190 0.095 0.035 0.427 231 V N 8.838 128.696 119.914 -0.093 0.000 2.487 231 V HA 0.434 nan 4.120 nan 0.000 0.298 231 V C -1.448 174.608 176.094 -0.063 0.000 1.028 231 V CA -1.316 60.942 62.300 -0.069 0.000 0.860 231 V CB 3.174 34.934 31.823 -0.105 0.000 0.991 231 V HN 1.150 9.130 8.190 -0.157 0.116 0.427 232 K N 4.652 125.032 120.400 -0.034 0.000 2.207 232 K HA 0.460 nan 4.320 nan 0.000 0.255 232 K C -0.489 176.099 176.600 -0.020 0.000 0.941 232 K CA -1.595 54.675 56.287 -0.027 0.000 0.825 232 K CB 1.667 34.157 32.500 -0.017 0.000 1.119 232 K HN 0.268 8.505 8.250 -0.021 0.000 0.430 233 N N -0.610 118.079 118.700 -0.019 0.000 2.681 233 N HA -0.425 nan 4.740 nan 0.000 0.259 233 N C -1.217 174.284 175.510 -0.014 0.000 1.066 233 N CA 1.000 54.042 53.050 -0.013 0.000 0.717 233 N CB -1.574 36.909 38.487 -0.007 0.000 0.885 233 N HN 0.674 8.941 8.380 -0.019 0.101 0.547 234 A N -1.214 121.593 122.820 -0.022 0.000 2.328 234 A HA 0.169 nan 4.320 nan 0.000 0.284 234 A C -1.194 176.383 177.584 -0.012 0.000 1.160 234 A CA -0.560 51.463 52.037 -0.022 0.000 0.818 234 A CB 1.431 20.405 19.000 -0.044 0.000 1.087 234 A HN 0.261 8.396 8.150 -0.025 0.000 0.504 235 K N 4.828 125.226 120.400 -0.003 0.000 2.354 235 K HA 0.424 nan 4.320 nan 0.000 0.257 235 K C -1.331 175.273 176.600 0.008 0.000 1.062 235 K CA -1.351 54.937 56.287 0.002 0.000 0.971 235 K CB 0.686 33.189 32.500 0.005 0.000 1.305 235 K HN 0.433 9.037 8.250 -0.000 -0.354 0.449 236 I N 4.883 125.456 120.570 0.005 0.000 2.352 236 I HA 0.217 nan 4.170 nan 0.000 0.290 236 I C -1.478 174.650 176.117 0.017 0.000 1.036 236 I CA -0.628 60.679 61.300 0.012 0.000 1.336 236 I CB 0.796 38.799 38.000 0.005 0.000 1.407 236 I HN 0.611 8.719 8.210 0.001 0.103 0.497 237 A N 8.876 131.712 122.820 0.026 0.000 2.260 237 A HA 0.651 nan 4.320 nan 0.000 0.308 237 A C -2.110 175.490 177.584 0.027 0.000 1.254 237 A CA -1.599 50.453 52.037 0.025 0.000 0.874 237 A CB 1.269 20.285 19.000 0.028 0.000 1.153 237 A HN 0.669 8.840 8.150 0.035 0.000 0.527 238 L N 4.130 125.365 121.223 0.020 0.000 2.272 238 L HA 0.728 nan 4.340 nan 0.000 0.289 238 L C -1.237 175.645 176.870 0.019 0.000 1.032 238 L CA -0.995 53.857 54.840 0.020 0.000 0.810 238 L CB 0.713 42.780 42.059 0.013 0.000 1.205 238 L HN 0.498 8.738 8.230 0.016 0.000 0.422 239 I N 3.281 123.865 120.570 0.023 0.000 2.465 239 I HA 0.206 nan 4.170 nan 0.000 0.291 239 I C -0.955 175.174 176.117 0.021 0.000 1.014 239 I CA -0.531 60.783 61.300 0.023 0.000 1.093 239 I CB 2.867 40.884 38.000 0.028 0.000 1.267 239 I HN 0.590 8.816 8.210 0.027 0.000 0.431 240 D N 8.255 128.666 120.400 0.017 0.000 2.162 240 D HA -0.028 nan 4.640 nan 0.000 0.203 240 D C -0.375 175.935 176.300 0.018 0.000 0.967 240 D CA 2.152 56.161 54.000 0.015 0.000 0.840 240 D CB 0.648 41.455 40.800 0.011 0.000 0.972 240 D HN 0.577 8.956 8.370 0.016 0.000 0.482 241 S N -0.894 114.817 115.700 0.020 0.000 2.693 241 S HA 0.005 nan 4.470 nan 0.000 0.276 241 S C -1.316 173.304 174.600 0.033 0.000 1.192 241 S CA -0.864 57.350 58.200 0.023 0.000 0.994 241 S CB 2.175 65.386 63.200 0.018 0.000 1.012 241 S HN -0.649 7.672 8.310 0.019 0.000 0.550 242 A N 0.138 122.981 122.820 0.038 0.000 2.354 242 A HA 0.168 nan 4.320 nan 0.000 0.269 242 A C -0.142 177.487 177.584 0.075 0.000 1.109 242 A CA -0.048 52.022 52.037 0.055 0.000 0.800 242 A CB 0.724 19.757 19.000 0.055 0.000 1.045 242 A HN 0.056 8.225 8.150 0.032 0.000 0.489 243 L N 5.113 126.398 121.223 0.104 0.000 2.536 243 L HA 0.165 nan 4.340 nan 0.000 0.242 243 L C -1.702 175.336 176.870 0.281 0.000 1.280 243 L CA -0.564 54.371 54.840 0.158 0.000 1.221 243 L CB -1.633 40.515 42.059 0.147 0.000 1.449 243 L HN 0.453 8.739 8.230 0.092 0.000 0.405 244 E N -0.808 119.530 120.200 0.230 0.000 2.445 244 E HA 0.226 nan 4.350 nan 0.000 0.273 244 E C -1.481 175.178 176.600 0.098 0.000 0.961 244 E CA -2.146 54.439 56.400 0.308 0.000 0.807 244 E CB 3.724 33.539 29.700 0.191 0.000 1.362 244 E HN -0.605 7.778 8.360 0.130 0.055 0.453 245 I N 1.628 122.254 120.570 0.093 0.000 2.517 245 I HA -0.102 nan 4.170 nan 0.000 0.285 245 I C -0.100 176.007 176.117 -0.018 0.000 1.106 245 I CA 0.022 61.276 61.300 -0.076 0.000 1.402 245 I CB -0.411 37.586 38.000 -0.005 0.000 1.399 245 I HN 0.277 8.664 8.210 0.296 0.000 0.535 246 K N 8.208 128.578 120.400 -0.050 0.000 2.185 246 K HA 0.177 nan 4.320 nan 0.000 0.269 246 K C -0.749 175.840 176.600 -0.018 0.000 0.987 246 K CA -0.413 55.860 56.287 -0.022 0.000 0.865 246 K CB 1.057 33.541 32.500 -0.026 0.000 1.090 246 K HN 0.110 8.302 8.250 -0.096 0.000 0.450 247 K N 4.167 124.565 120.400 -0.005 0.000 2.110 247 K HA 0.208 nan 4.320 nan 0.000 0.263 247 K C 0.133 176.731 176.600 -0.003 0.000 0.975 247 K CA -0.514 55.772 56.287 -0.002 0.000 0.895 247 K CB 1.166 33.668 32.500 0.003 0.000 1.060 247 K HN 0.206 8.456 8.250 0.001 0.000 0.448 248 T N 0.280 114.833 114.554 -0.002 0.000 2.795 248 T HA 0.019 nan 4.350 nan 0.000 0.314 248 T C 0.486 175.185 174.700 -0.001 0.000 1.069 248 T CA -0.369 61.730 62.100 -0.002 0.000 1.071 248 T CB 0.676 69.544 68.868 0.000 0.000 0.988 248 T HN 0.218 8.458 8.240 -0.001 0.000 0.543 249 E N -0.158 120.042 120.200 -0.001 0.000 2.033 249 E HA -0.067 nan 4.350 nan 0.000 0.189 249 E C 0.719 177.319 176.600 -0.001 0.000 0.979 249 E CA 0.974 57.374 56.400 -0.001 0.000 0.802 249 E CB 0.164 29.863 29.700 -0.001 0.000 0.763 249 E HN 0.239 8.598 8.360 -0.002 0.000 0.449 250 I N 2.172 122.742 120.570 -0.001 0.000 2.517 250 I HA -0.104 nan 4.170 nan 0.000 0.285 250 I C -0.144 175.972 176.117 -0.001 0.000 1.106 250 I CA 0.328 61.627 61.300 -0.001 0.000 1.402 250 I CB 0.064 38.064 38.000 -0.001 0.000 1.399 250 I HN -0.273 7.936 8.210 -0.001 0.000 0.535 251 E N 7.085 127.283 120.200 -0.002 0.000 2.653 251 E HA -0.265 nan 4.350 nan 0.000 0.264 251 E C -1.647 174.950 176.600 -0.005 0.000 0.949 251 E CA 0.868 57.265 56.400 -0.004 0.000 0.953 251 E CB 0.586 30.283 29.700 -0.005 0.000 0.925 251 E HN 0.285 8.644 8.360 -0.002 0.000 0.475 252 A N 4.618 127.434 122.820 -0.007 0.000 2.393 252 A HA 0.293 nan 4.320 nan 0.000 0.306 252 A C -1.948 175.624 177.584 -0.019 0.000 1.050 252 A CA -0.542 51.490 52.037 -0.008 0.000 0.724 252 A CB 2.085 21.084 19.000 -0.001 0.000 1.248 252 A HN 0.142 8.287 8.150 -0.007 0.000 0.424 253 K N 3.059 123.443 120.400 -0.027 0.000 2.378 253 K HA 0.377 nan 4.320 nan 0.000 0.252 253 K C -1.137 175.419 176.600 -0.072 0.000 0.931 253 K CA -0.528 55.730 56.287 -0.048 0.000 0.794 253 K CB 1.988 34.464 32.500 -0.041 0.000 1.181 253 K HN 0.102 8.340 8.250 -0.019 0.000 0.425 254 V N 3.605 123.439 119.914 -0.134 0.000 2.439 254 V HA 0.147 nan 4.120 nan 0.000 0.282 254 V C -0.352 175.606 176.094 -0.226 0.000 1.039 254 V CA -0.544 61.611 62.300 -0.243 0.000 0.913 254 V CB 0.652 32.179 31.823 -0.492 0.000 0.983 254 V HN 0.216 8.326 8.190 -0.133 0.000 0.460 255 Q N 3.686 123.380 119.800 -0.176 0.000 2.327 255 Q HA 0.246 nan 4.340 nan 0.000 0.270 255 Q C -1.285 174.662 176.000 -0.087 0.000 1.022 255 Q CA -0.819 54.919 55.803 -0.109 0.000 0.773 255 Q CB 1.002 29.713 28.738 -0.046 0.000 1.251 255 Q HN 0.294 8.477 8.270 -0.145 0.000 0.457 256 I N 2.264 122.780 120.570 -0.089 0.000 2.339 256 I HA 0.171 nan 4.170 nan 0.000 0.290 256 I C -0.023 176.099 176.117 0.008 0.000 0.994 256 I CA 0.080 61.371 61.300 -0.016 0.000 1.191 256 I CB 0.908 38.890 38.000 -0.029 0.000 1.343 256 I HN 0.332 8.481 8.210 -0.102 0.000 0.458 257 S N 6.128 121.848 115.700 0.034 0.000 2.520 257 S HA 0.016 nan 4.470 nan 0.000 0.219 257 S C -0.962 173.656 174.600 0.031 0.000 1.028 257 S CA 0.277 58.491 58.200 0.025 0.000 0.921 257 S CB 0.881 64.095 63.200 0.024 0.000 0.844 257 S HN 0.534 8.878 8.310 0.057 0.000 0.495 258 D N 3.417 123.845 120.400 0.047 0.000 2.349 258 D HA 0.459 nan 4.640 nan 0.000 0.232 258 D C -1.286 175.044 176.300 0.051 0.000 1.071 258 D CA -2.768 51.259 54.000 0.045 0.000 0.832 258 D CB 1.620 42.449 40.800 0.049 0.000 1.086 258 D HN -0.595 7.813 8.370 0.063 0.000 0.504 259 P HA -0.208 nan 4.420 nan 0.000 0.217 259 P C 0.891 178.220 177.300 0.048 0.000 1.148 259 P CA 1.933 65.056 63.100 0.038 0.000 0.828 259 P CB 0.391 32.106 31.700 0.026 0.000 0.783 260 S N -2.802 112.925 115.700 0.045 0.000 2.423 260 S HA -0.246 nan 4.470 nan 0.000 0.231 260 S C 1.476 176.114 174.600 0.063 0.000 1.014 260 S CA 2.532 60.758 58.200 0.043 0.000 0.965 260 S CB -0.204 63.014 63.200 0.029 0.000 0.785 260 S HN -0.405 8.143 8.310 0.040 -0.214 0.495 261 K N 0.200 120.658 120.400 0.098 0.000 2.097 261 K HA -0.227 nan 4.320 nan 0.000 0.206 261 K C 2.136 178.894 176.600 0.262 0.000 1.049 261 K CA 1.702 58.092 56.287 0.171 0.000 0.933 261 K CB -0.686 31.977 32.500 0.272 0.000 0.717 261 K HN -0.135 8.013 8.250 0.092 0.157 0.442 262 I N -1.518 119.170 120.570 0.197 0.000 2.194 262 I HA -0.551 nan 4.170 nan 0.000 0.246 262 I C 1.900 178.114 176.117 0.163 0.000 1.093 262 I CA 3.560 64.968 61.300 0.181 0.000 1.355 262 I CB -0.566 37.490 38.000 0.092 0.000 1.046 262 I HN -0.694 7.580 8.210 0.139 0.019 0.413 263 Q N -0.283 119.580 119.800 0.105 0.000 2.016 263 Q HA -0.333 nan 4.340 nan 0.000 0.200 263 Q C 1.957 177.994 176.000 0.061 0.000 0.978 263 Q CA 3.057 58.904 55.803 0.072 0.000 0.833 263 Q CB -0.660 28.104 28.738 0.044 0.000 0.895 263 Q HN -0.421 7.891 8.270 0.091 0.012 0.427 264 D N 0.844 121.258 120.400 0.023 0.000 2.133 264 D HA -0.360 nan 4.640 nan 0.000 0.192 264 D C 2.523 178.755 176.300 -0.113 0.000 1.001 264 D CA 3.717 57.671 54.000 -0.078 0.000 0.844 264 D CB -0.587 40.112 40.800 -0.168 0.000 0.944 264 D HN -0.758 7.633 8.370 0.034 0.000 0.447 265 F N -1.126 118.830 119.950 0.010 0.000 2.134 265 F HA -0.277 nan 4.527 nan 0.000 0.299 265 F C 2.100 177.912 175.800 0.019 0.000 1.097 265 F CA 4.048 62.054 58.000 0.010 0.000 1.264 265 F CB 0.031 39.035 39.000 0.008 0.000 1.001 265 F HN 0.094 8.499 8.300 0.175 0.000 0.479 266 L N -1.968 119.374 121.223 0.199 0.000 2.191 266 L HA -0.425 nan 4.340 nan 0.000 0.212 266 L C 1.759 178.690 176.870 0.102 0.000 1.103 266 L CA 2.761 57.683 54.840 0.136 0.000 0.769 266 L CB -0.767 41.356 42.059 0.107 0.000 0.908 266 L HN -0.135 8.156 8.230 0.210 0.065 0.438 267 N N -0.871 117.867 118.700 0.062 0.000 2.290 267 N HA -0.228 nan 4.740 nan 0.000 0.179 267 N C 1.901 177.422 175.510 0.017 0.000 1.016 267 N CA 2.810 55.884 53.050 0.039 0.000 0.871 267 N CB 0.151 38.644 38.487 0.011 0.000 0.987 267 N HN 0.042 8.308 8.380 0.052 0.145 0.431 268 Q N 0.838 120.627 119.800 -0.019 0.000 2.112 268 Q HA -0.385 nan 4.340 nan 0.000 0.206 268 Q C 1.841 177.832 176.000 -0.016 0.000 0.987 268 Q CA 3.611 59.387 55.803 -0.046 0.000 0.858 268 Q CB -0.300 28.386 28.738 -0.086 0.000 0.905 268 Q HN 0.307 8.556 8.270 -0.035 0.000 0.420 269 E N -0.931 119.292 120.200 0.038 0.000 2.038 269 E HA -0.398 nan 4.350 nan 0.000 0.195 269 E C 2.284 178.962 176.600 0.131 0.000 1.000 269 E CA 3.144 59.576 56.400 0.054 0.000 0.803 269 E CB -0.371 29.419 29.700 0.150 0.000 0.750 269 E HN -0.580 7.823 8.360 0.066 -0.003 0.448 270 T N 2.391 117.060 114.554 0.191 0.000 2.635 270 T HA -0.323 nan 4.350 nan 0.000 0.267 270 T C 2.170 176.927 174.700 0.096 0.000 1.040 270 T CA 4.966 67.208 62.100 0.237 0.000 1.156 270 T CB -0.587 68.386 68.868 0.174 0.000 0.863 270 T HN -0.641 7.690 8.240 0.152 0.000 0.430 271 N N 0.477 119.182 118.700 0.007 0.000 2.205 271 N HA -0.265 nan 4.740 nan 0.000 0.186 271 N C 2.231 177.690 175.510 -0.085 0.000 1.015 271 N CA 3.189 56.202 53.050 -0.061 0.000 0.862 271 N CB -0.746 37.707 38.487 -0.056 0.000 0.986 271 N HN 0.236 8.629 8.380 0.022 0.000 0.429 272 T N 3.966 118.457 114.554 -0.104 0.000 2.708 272 T HA -0.244 nan 4.350 nan 0.000 0.266 272 T C 1.861 176.436 174.700 -0.208 0.000 1.037 272 T CA 5.152 67.134 62.100 -0.196 0.000 1.146 272 T CB -0.449 68.237 68.868 -0.303 0.000 0.865 272 T HN 0.188 8.272 8.240 -0.079 0.108 0.435 273 F N 0.397 120.318 119.950 -0.050 0.000 2.234 273 F HA -0.301 nan 4.527 nan 0.000 0.299 273 F C 1.582 177.293 175.800 -0.147 0.000 1.087 273 F CA 3.383 61.358 58.000 -0.042 0.000 1.340 273 F CB -0.513 38.514 39.000 0.044 0.000 1.031 273 F HN -0.297 7.958 8.300 -0.075 0.000 0.500 274 K N -0.790 119.533 120.400 -0.129 0.000 2.026 274 K HA -0.409 nan 4.320 nan 0.000 0.208 274 K C 2.598 179.109 176.600 -0.148 0.000 1.048 274 K CA 3.637 59.722 56.287 -0.337 0.000 0.929 274 K CB -0.392 31.867 32.500 -0.401 0.000 0.713 274 K HN 0.070 8.192 8.250 -0.091 0.073 0.439 275 Q N -0.925 118.815 119.800 -0.101 0.000 2.084 275 Q HA -0.322 nan 4.340 nan 0.000 0.202 275 Q C 2.447 178.423 176.000 -0.039 0.000 0.978 275 Q CA 3.006 58.768 55.803 -0.068 0.000 0.844 275 Q CB -0.002 28.694 28.738 -0.069 0.000 0.898 275 Q HN -0.161 8.045 8.270 -0.108 0.000 0.426 276 M N -0.444 119.142 119.600 -0.024 0.000 2.088 276 M HA -0.490 nan 4.480 nan 0.000 0.256 276 M C 2.273 178.587 176.300 0.024 0.000 1.071 276 M CA 4.397 59.703 55.300 0.010 0.000 1.097 276 M CB -0.193 32.446 32.600 0.064 0.000 1.315 276 M HN -0.279 7.988 8.290 -0.039 0.000 0.406 277 V N -2.069 117.865 119.914 0.033 0.000 2.515 277 V HA -0.427 nan 4.120 nan 0.000 0.250 277 V C 1.847 177.945 176.094 0.007 0.000 1.058 277 V CA 4.064 66.383 62.300 0.032 0.000 1.064 277 V CB -1.432 30.422 31.823 0.052 0.000 0.675 277 V HN -0.420 7.793 8.190 0.039 0.000 0.461 278 E N 0.104 120.295 120.200 -0.014 0.000 2.031 278 E HA -0.397 nan 4.350 nan 0.000 0.193 278 E C 2.003 178.598 176.600 -0.008 0.000 0.994 278 E CA 3.695 60.084 56.400 -0.017 0.000 0.800 278 E CB -0.165 29.516 29.700 -0.032 0.000 0.752 278 E HN -0.159 8.085 8.360 -0.028 0.099 0.447 279 K N -1.992 118.403 120.400 -0.008 0.000 2.044 279 K HA -0.313 nan 4.320 nan 0.000 0.210 279 K C 2.768 179.371 176.600 0.004 0.000 1.049 279 K CA 2.676 58.961 56.287 -0.004 0.000 0.927 279 K CB -0.563 31.934 32.500 -0.004 0.000 0.713 279 K HN 0.067 8.310 8.250 -0.012 0.000 0.443 280 I N -0.623 119.953 120.570 0.011 0.000 2.179 280 I HA -0.488 nan 4.170 nan 0.000 0.242 280 I C 2.009 178.135 176.117 0.015 0.000 1.088 280 I CA 3.929 65.240 61.300 0.017 0.000 1.357 280 I CB -0.307 37.709 38.000 0.027 0.000 1.051 280 I HN -0.446 7.771 8.210 0.012 0.000 0.409 281 K N 0.124 120.531 120.400 0.012 0.000 2.057 281 K HA -0.349 nan 4.320 nan 0.000 0.207 281 K C 2.722 179.326 176.600 0.007 0.000 1.049 281 K CA 3.499 59.792 56.287 0.010 0.000 0.931 281 K CB -0.236 32.269 32.500 0.008 0.000 0.714 281 K HN -0.025 8.168 8.250 0.011 0.064 0.440 282 K N -1.039 119.363 120.400 0.003 0.000 2.152 282 K HA -0.263 nan 4.320 nan 0.000 0.206 282 K C 1.529 178.131 176.600 0.003 0.000 1.048 282 K CA 2.681 58.969 56.287 0.001 0.000 0.933 282 K CB -0.123 32.376 32.500 -0.002 0.000 0.721 282 K HN 0.353 8.604 8.250 0.002 0.000 0.447 283 S N -3.101 112.602 115.700 0.005 0.000 2.522 283 S HA -0.113 nan 4.470 nan 0.000 0.227 283 S C 0.926 175.530 174.600 0.007 0.000 0.986 283 S CA 0.965 59.168 58.200 0.006 0.000 0.929 283 S CB 1.009 64.214 63.200 0.007 0.000 0.769 283 S HN -0.575 7.719 8.310 0.006 0.019 0.529 284 G N 1.057 109.861 108.800 0.008 0.000 2.175 284 G HA2 -0.403 nan 3.960 nan 0.000 0.244 284 G HA3 -0.403 nan 3.960 nan 0.000 0.244 284 G C -1.005 173.902 174.900 0.012 0.000 0.982 284 G CA 0.148 45.253 45.100 0.008 0.000 0.641 284 G HN -0.281 7.844 8.290 0.008 0.170 0.527 285 A N 0.411 123.240 122.820 0.015 0.000 2.498 285 A HA -0.024 nan 4.320 nan 0.000 0.239 285 A C -0.585 177.015 177.584 0.026 0.000 1.068 285 A CA 0.343 52.392 52.037 0.020 0.000 0.766 285 A CB 0.471 19.485 19.000 0.024 0.000 1.003 285 A HN -0.679 7.418 8.150 0.014 0.061 0.497 286 N N 0.648 119.366 118.700 0.031 0.000 2.143 286 N HA 0.073 nan 4.740 nan 0.000 0.222 286 N C -1.359 174.193 175.510 0.070 0.000 1.264 286 N CA -0.612 52.462 53.050 0.041 0.000 0.897 286 N CB 1.847 40.352 38.487 0.029 0.000 1.092 286 N HN 0.314 8.710 8.380 0.026 0.000 0.516 287 V N -0.159 119.797 119.914 0.070 0.000 2.841 287 V HA 0.642 nan 4.120 nan 0.000 0.310 287 V C -2.217 173.936 176.094 0.097 0.000 1.090 287 V CA -0.250 62.119 62.300 0.114 0.000 0.930 287 V CB 3.813 35.671 31.823 0.059 0.000 1.014 287 V HN -0.767 7.452 8.190 0.050 0.000 0.425 288 V N 5.981 125.970 119.914 0.124 0.000 2.447 288 V HA 0.696 nan 4.120 nan 0.000 0.292 288 V C -1.836 174.313 176.094 0.093 0.000 1.021 288 V CA -0.551 61.800 62.300 0.085 0.000 0.850 288 V CB 2.585 34.448 31.823 0.066 0.000 1.005 288 V HN 0.816 9.115 8.190 0.182 0.000 0.426 289 L N 7.114 128.380 121.223 0.073 0.000 2.276 289 L HA 0.634 nan 4.340 nan 0.000 0.286 289 L C -2.093 174.804 176.870 0.045 0.000 1.024 289 L CA -0.878 54.002 54.840 0.066 0.000 0.826 289 L CB 1.551 43.644 42.059 0.057 0.000 1.211 289 L HN 0.579 8.844 8.230 0.059 0.000 0.422 290 C N 5.851 125.176 119.300 0.042 0.000 2.341 290 C HA 0.464 nan 4.460 nan 0.000 0.338 290 C C 0.335 175.342 174.990 0.027 0.000 1.257 290 C CA -1.891 57.147 59.018 0.034 0.000 1.883 290 C CB 1.992 29.755 27.740 0.038 0.000 2.334 290 C HN 1.005 9.261 8.230 0.044 0.000 0.524 291 Q N 7.601 127.415 119.800 0.023 0.000 2.378 291 Q HA -0.177 nan 4.340 nan 0.000 0.205 291 Q C -0.660 175.351 176.000 0.019 0.000 0.954 291 Q CA 1.975 57.789 55.803 0.018 0.000 0.901 291 Q CB 0.472 29.219 28.738 0.015 0.000 0.981 291 Q HN 0.421 8.705 8.270 0.024 0.000 0.483 292 K N -3.805 116.610 120.400 0.024 0.000 2.209 292 K HA 0.224 nan 4.320 nan 0.000 0.252 292 K C -0.957 175.661 176.600 0.030 0.000 1.062 292 K CA -2.095 54.207 56.287 0.026 0.000 1.003 292 K CB 2.737 35.254 32.500 0.028 0.000 1.495 292 K HN -0.789 7.430 8.250 0.027 0.047 0.641 293 G N -2.378 106.442 108.800 0.035 0.000 2.528 293 G HA2 0.248 nan 3.960 nan 0.000 0.289 293 G HA3 0.248 nan 3.960 nan 0.000 0.289 293 G C -2.126 172.804 174.900 0.051 0.000 1.192 293 G CA -1.255 43.867 45.100 0.037 0.000 0.921 293 G HN 0.152 8.464 8.290 0.036 0.000 0.512 294 I N -1.511 119.085 120.570 0.044 0.000 2.499 294 I HA 0.168 nan 4.170 nan 0.000 0.288 294 I C -1.662 174.471 176.117 0.026 0.000 1.048 294 I CA -1.166 60.165 61.300 0.052 0.000 1.062 294 I CB 3.017 41.038 38.000 0.035 0.000 1.238 294 I HN 0.111 8.340 8.210 0.031 0.000 0.426 295 D N 6.468 126.883 120.400 0.025 0.000 2.400 295 D HA -0.120 nan 4.640 nan 0.000 0.238 295 D C 0.721 176.920 176.300 -0.169 0.000 1.157 295 D CA 1.118 55.062 54.000 -0.093 0.000 0.889 295 D CB 2.584 43.232 40.800 -0.252 0.000 1.199 295 D HN 0.200 8.635 8.370 0.108 0.000 0.436 296 D N 4.223 124.530 120.400 -0.156 0.000 2.178 296 D HA -0.225 nan 4.640 nan 0.000 0.201 296 D C 2.044 178.251 176.300 -0.154 0.000 0.980 296 D CA 3.361 57.294 54.000 -0.112 0.000 0.842 296 D CB -0.025 40.729 40.800 -0.078 0.000 0.948 296 D HN 0.359 8.651 8.370 -0.130 0.000 0.472 297 V N -1.160 118.561 119.914 -0.322 0.000 2.548 297 V HA -0.267 nan 4.120 nan 0.000 0.249 297 V C 1.531 177.581 176.094 -0.074 0.000 1.055 297 V CA 3.963 66.119 62.300 -0.240 0.000 1.065 297 V CB -0.836 30.772 31.823 -0.359 0.000 0.681 297 V HN 0.188 8.446 8.190 -0.463 -0.345 0.462 298 A N -0.967 121.690 122.820 -0.271 0.000 1.898 298 A HA -0.333 nan 4.320 nan 0.000 0.216 298 A C 2.016 179.615 177.584 0.025 0.000 1.181 298 A CA 3.253 55.304 52.037 0.023 0.000 0.620 298 A CB -0.705 18.339 19.000 0.073 0.000 0.819 298 A HN -0.268 7.455 8.150 -0.568 0.086 0.442 299 Q N -1.861 117.915 119.800 -0.040 0.000 2.096 299 Q HA -0.445 nan 4.340 nan 0.000 0.204 299 Q C 2.282 178.164 176.000 -0.196 0.000 0.982 299 Q CA 3.356 59.122 55.803 -0.063 0.000 0.850 299 Q CB -0.064 28.684 28.738 0.016 0.000 0.901 299 Q HN 0.010 8.237 8.270 -0.071 0.000 0.422 300 H N 1.920 120.829 119.070 -0.268 0.000 2.267 300 H HA -0.351 nan 4.556 nan 0.000 0.297 300 H C 2.228 177.299 175.328 -0.428 0.000 1.080 300 H CA 3.879 59.667 56.048 -0.433 0.000 1.278 300 H CB -0.043 29.407 29.762 -0.520 0.000 1.365 300 H HN -0.254 7.935 8.280 -0.026 0.076 0.489 301 Y N -2.241 117.857 120.300 -0.337 0.000 2.352 301 Y HA -0.278 nan 4.550 nan 0.000 0.292 301 Y C 2.634 178.394 175.900 -0.233 0.000 1.136 301 Y CA 3.715 61.613 58.100 -0.336 0.000 1.227 301 Y CB -0.409 37.981 38.460 -0.117 0.000 0.991 301 Y HN -0.443 7.793 8.280 -0.075 0.000 0.545 302 L N -0.717 120.473 121.223 -0.055 0.000 2.027 302 L HA -0.500 nan 4.340 nan 0.000 0.206 302 L C 1.981 178.775 176.870 -0.126 0.000 1.074 302 L CA 3.118 57.924 54.840 -0.055 0.000 0.745 302 L CB -0.600 41.436 42.059 -0.039 0.000 0.898 302 L HN 0.354 8.561 8.230 -0.038 0.000 0.433 303 A N -1.948 120.716 122.820 -0.261 0.000 1.902 303 A HA -0.290 nan 4.320 nan 0.000 0.217 303 A C 2.306 179.757 177.584 -0.221 0.000 1.181 303 A CA 3.019 54.886 52.037 -0.283 0.000 0.623 303 A CB -0.961 17.673 19.000 -0.610 0.000 0.818 303 A HN 0.041 7.988 8.150 -0.338 0.000 0.443 304 K N -0.350 119.865 120.400 -0.308 0.000 2.063 304 K HA -0.269 nan 4.320 nan 0.000 0.208 304 K C 1.746 178.283 176.600 -0.105 0.000 1.048 304 K CA 2.644 58.789 56.287 -0.237 0.000 0.928 304 K CB 0.082 32.367 32.500 -0.359 0.000 0.713 304 K HN -0.206 7.718 8.250 -0.440 0.062 0.442 305 E N -4.390 115.766 120.200 -0.074 0.000 2.502 305 E HA 0.001 nan 4.350 nan 0.000 0.194 305 E C -0.264 176.327 176.600 -0.014 0.000 1.062 305 E CA -1.034 55.351 56.400 -0.025 0.000 0.867 305 E CB 0.207 29.904 29.700 -0.004 0.000 0.888 305 E HN -0.505 7.709 8.360 -0.093 0.090 0.510 306 G N -2.195 106.591 108.800 -0.023 0.000 2.136 306 G HA2 -0.363 nan 3.960 nan 0.000 0.242 306 G HA3 -0.363 nan 3.960 nan 0.000 0.242 306 G C -0.050 174.871 174.900 0.036 0.000 0.989 306 G CA 0.313 45.417 45.100 0.007 0.000 0.682 306 G HN -0.467 7.589 8.290 -0.053 0.201 0.522 307 I N 0.512 121.100 120.570 0.028 0.000 2.428 307 I HA -0.085 nan 4.170 nan 0.000 0.289 307 I C -1.098 175.078 176.117 0.099 0.000 1.019 307 I CA 0.506 61.845 61.300 0.065 0.000 1.351 307 I CB 0.824 38.852 38.000 0.046 0.000 1.412 307 I HN -0.470 7.740 8.210 -0.000 0.000 0.513 308 Y N 8.940 129.247 120.300 0.011 0.000 2.383 308 Y HA 0.038 nan 4.550 nan 0.000 0.344 308 Y C -2.265 173.649 175.900 0.023 0.000 0.986 308 Y CA -1.001 57.111 58.100 0.021 0.000 1.175 308 Y CB 1.278 39.752 38.460 0.025 0.000 1.152 308 Y HN 0.208 8.633 8.280 0.243 0.000 0.511 309 A N 6.771 129.527 122.820 -0.105 0.000 2.374 309 A HA 0.864 nan 4.320 nan 0.000 0.317 309 A C -2.534 174.989 177.584 -0.103 0.000 1.094 309 A CA -1.953 50.070 52.037 -0.024 0.000 0.765 309 A CB 3.573 22.569 19.000 -0.008 0.000 1.268 309 A HN -0.029 7.964 8.150 -0.262 0.000 0.438 310 V N 1.097 121.017 119.914 0.011 0.000 2.823 310 V HA 0.686 nan 4.120 nan 0.000 0.312 310 V C -1.978 174.129 176.094 0.022 0.000 1.072 310 V CA -1.349 60.958 62.300 0.011 0.000 0.937 310 V CB 3.230 35.102 31.823 0.083 0.000 1.013 310 V HN 0.585 8.813 8.190 0.063 0.000 0.430 311 R N 2.455 122.962 120.500 0.012 0.000 2.888 311 R HA 0.801 nan 4.340 nan 0.000 0.266 311 R C -0.285 176.025 176.300 0.016 0.000 1.020 311 R CA -1.709 54.402 56.100 0.018 0.000 0.963 311 R CB 3.328 33.637 30.300 0.015 0.000 1.197 311 R HN 0.508 8.781 8.270 0.004 0.000 0.481 312 R N -3.665 116.846 120.500 0.018 0.000 3.422 312 R HA -0.476 nan 4.340 nan 0.000 0.267 312 R C -0.644 175.663 176.300 0.011 0.000 1.074 312 R CA 1.045 57.153 56.100 0.014 0.000 0.718 312 R CB -2.455 27.852 30.300 0.011 0.000 1.157 312 R HN 0.484 8.673 8.270 0.021 0.094 0.440 313 V N -1.744 118.178 119.914 0.013 0.000 2.555 313 V HA -0.042 nan 4.120 nan 0.000 0.286 313 V C 0.391 176.487 176.094 0.005 0.000 1.044 313 V CA 0.221 62.527 62.300 0.010 0.000 1.026 313 V CB 0.574 32.405 31.823 0.014 0.000 0.981 313 V HN -0.098 8.090 8.190 0.017 0.013 0.480 314 K N 6.198 126.598 120.400 -0.001 0.000 2.485 314 K HA -0.167 nan 4.320 nan 0.000 0.277 314 K C 0.766 177.364 176.600 -0.003 0.000 0.990 314 K CA 0.671 56.956 56.287 -0.003 0.000 0.994 314 K CB 0.448 32.943 32.500 -0.008 0.000 0.906 314 K HN 0.246 8.494 8.250 -0.003 0.000 0.488 315 K N 4.886 125.285 120.400 -0.002 0.000 2.103 315 K HA -0.283 nan 4.320 nan 0.000 0.207 315 K C 1.980 178.576 176.600 -0.006 0.000 1.048 315 K CA 3.034 59.320 56.287 -0.002 0.000 0.930 315 K CB -0.905 31.594 32.500 -0.001 0.000 0.716 315 K HN 0.612 8.861 8.250 -0.001 0.000 0.444 316 S N -1.572 114.122 115.700 -0.009 0.000 2.359 316 S HA -0.306 nan 4.470 nan 0.000 0.224 316 S C 2.204 176.795 174.600 -0.016 0.000 1.035 316 S CA 3.964 62.156 58.200 -0.012 0.000 1.018 316 S CB -0.910 62.281 63.200 -0.015 0.000 0.876 316 S HN 0.311 8.606 8.310 -0.008 0.011 0.448 317 D N 2.810 123.199 120.400 -0.018 0.000 2.149 317 D HA -0.106 nan 4.640 nan 0.000 0.201 317 D C 2.265 178.555 176.300 -0.016 0.000 0.972 317 D CA 2.790 56.776 54.000 -0.023 0.000 0.835 317 D CB -0.514 40.271 40.800 -0.025 0.000 0.966 317 D HN -0.777 7.496 8.370 -0.015 0.088 0.476 318 M N -0.443 119.152 119.600 -0.009 0.000 2.080 318 M HA -0.383 nan 4.480 nan 0.000 0.260 318 M C 2.537 178.834 176.300 -0.006 0.000 1.068 318 M CA 2.892 58.190 55.300 -0.003 0.000 1.109 318 M CB -0.862 31.738 32.600 0.001 0.000 1.342 318 M HN 0.337 8.555 8.290 -0.007 0.067 0.405 319 E N -0.671 119.525 120.200 -0.008 0.000 2.072 319 E HA -0.361 nan 4.350 nan 0.000 0.191 319 E C 2.489 179.083 176.600 -0.012 0.000 0.985 319 E CA 3.155 59.550 56.400 -0.008 0.000 0.801 319 E CB -0.376 29.320 29.700 -0.008 0.000 0.750 319 E HN 0.255 8.612 8.360 -0.008 -0.001 0.452 320 K N -0.013 120.377 120.400 -0.017 0.000 2.057 320 K HA -0.275 nan 4.320 nan 0.000 0.207 320 K C 2.616 179.203 176.600 -0.022 0.000 1.049 320 K CA 3.266 59.540 56.287 -0.021 0.000 0.931 320 K CB -0.061 32.421 32.500 -0.030 0.000 0.714 320 K HN -0.268 7.972 8.250 -0.017 0.000 0.440 321 L N -1.779 119.431 121.223 -0.021 0.000 2.141 321 L HA -0.316 nan 4.340 nan 0.000 0.209 321 L C 2.005 178.867 176.870 -0.012 0.000 1.094 321 L CA 2.966 57.795 54.840 -0.019 0.000 0.763 321 L CB -0.486 41.565 42.059 -0.015 0.000 0.908 321 L HN 0.422 8.533 8.230 -0.020 0.107 0.437 322 A N -0.788 122.027 122.820 -0.008 0.000 1.930 322 A HA -0.288 nan 4.320 nan 0.000 0.217 322 A C 1.811 179.391 177.584 -0.006 0.000 1.175 322 A CA 3.051 55.085 52.037 -0.005 0.000 0.627 322 A CB -0.874 18.124 19.000 -0.003 0.000 0.815 322 A HN -0.040 8.020 8.150 -0.008 0.085 0.443 323 K N -0.139 120.256 120.400 -0.008 0.000 1.985 323 K HA -0.270 nan 4.320 nan 0.000 0.210 323 K C 2.232 178.827 176.600 -0.009 0.000 1.047 323 K CA 2.303 58.585 56.287 -0.008 0.000 0.932 323 K CB -0.254 32.240 32.500 -0.010 0.000 0.716 323 K HN -0.291 7.881 8.250 -0.010 0.072 0.439 324 A N -3.737 119.075 122.820 -0.013 0.000 1.898 324 A HA -0.040 nan 4.320 nan 0.000 0.216 324 A C 1.491 179.068 177.584 -0.011 0.000 1.181 324 A CA 2.990 55.019 52.037 -0.014 0.000 0.620 324 A CB 0.504 19.490 19.000 -0.023 0.000 0.819 324 A HN 0.246 8.279 8.150 -0.016 0.108 0.442 325 T N -7.459 107.088 114.554 -0.011 0.000 3.081 325 T HA 0.114 nan 4.350 nan 0.000 0.250 325 T C 1.496 176.194 174.700 -0.005 0.000 1.100 325 T CA 0.561 62.656 62.100 -0.008 0.000 1.038 325 T CB 0.633 69.496 68.868 -0.009 0.000 0.962 325 T HN -0.088 8.145 8.240 -0.011 0.000 0.516 326 G N 1.572 110.370 108.800 -0.004 0.000 2.159 326 G HA2 -0.487 nan 3.960 nan 0.000 0.256 326 G HA3 -0.487 nan 3.960 nan 0.000 0.256 326 G C -1.814 173.086 174.900 -0.001 0.000 0.977 326 G CA 0.318 45.416 45.100 -0.002 0.000 0.652 326 G HN -0.118 8.169 8.290 -0.005 0.000 0.531 327 A N -0.473 122.347 122.820 -0.001 0.000 2.371 327 A HA 0.054 nan 4.320 nan 0.000 0.257 327 A C -0.868 176.717 177.584 0.002 0.000 1.089 327 A CA -0.273 51.765 52.037 0.002 0.000 0.794 327 A CB 0.624 19.626 19.000 0.003 0.000 1.029 327 A HN -0.760 7.332 8.150 -0.002 0.057 0.488 328 K N 1.847 122.249 120.400 0.003 0.000 2.211 328 K HA 0.167 nan 4.320 nan 0.000 0.275 328 K C -0.818 175.785 176.600 0.005 0.000 1.024 328 K CA -1.628 54.661 56.287 0.003 0.000 0.887 328 K CB 1.155 33.656 32.500 0.003 0.000 1.084 328 K HN 0.169 8.308 8.250 0.004 0.113 0.463 329 I N 3.401 123.973 120.570 0.004 0.000 2.494 329 I HA -0.166 nan 4.170 nan 0.000 0.289 329 I C -0.394 175.727 176.117 0.006 0.000 1.106 329 I CA 0.512 61.815 61.300 0.006 0.000 1.369 329 I CB -0.123 37.880 38.000 0.005 0.000 1.410 329 I HN 0.241 8.453 8.210 0.003 0.000 0.523 330 V N 9.408 129.327 119.914 0.008 0.000 2.483 330 V HA 0.233 nan 4.120 nan 0.000 0.295 330 V C -0.078 176.022 176.094 0.009 0.000 1.035 330 V CA -0.816 61.488 62.300 0.007 0.000 0.896 330 V CB 2.671 34.498 31.823 0.008 0.000 0.986 330 V HN 0.276 8.472 8.190 0.010 0.000 0.447 331 T N 6.489 121.047 114.554 0.007 0.000 3.056 331 T HA 0.097 nan 4.350 nan 0.000 0.241 331 T C -1.107 173.596 174.700 0.006 0.000 1.006 331 T CA 1.992 64.097 62.100 0.007 0.000 1.115 331 T CB 0.570 69.441 68.868 0.005 0.000 0.939 331 T HN 0.294 8.537 8.240 0.005 0.000 0.462 332 D N 1.288 121.690 120.400 0.003 0.000 2.359 332 D HA 0.130 nan 4.640 nan 0.000 0.230 332 D C 1.075 177.376 176.300 0.001 0.000 1.118 332 D CA -1.753 52.247 54.000 -0.000 0.000 0.844 332 D CB 0.036 40.834 40.800 -0.002 0.000 1.059 332 D HN -0.283 8.089 8.370 0.003 0.000 0.493 333 L N 4.500 125.724 121.223 0.001 0.000 2.270 333 L HA -0.347 nan 4.340 nan 0.000 0.217 333 L C 1.396 178.266 176.870 -0.001 0.000 1.107 333 L CA 2.444 57.285 54.840 0.002 0.000 0.772 333 L CB -0.305 41.756 42.059 0.002 0.000 0.902 333 L HN 0.524 8.754 8.230 0.001 0.000 0.439 334 D N -0.258 120.139 120.400 -0.005 0.000 2.348 334 D HA -0.166 nan 4.640 nan 0.000 0.216 334 D C 0.822 177.120 176.300 -0.004 0.000 0.970 334 D CA 2.493 56.490 54.000 -0.006 0.000 0.889 334 D CB -0.138 40.657 40.800 -0.009 0.000 0.912 334 D HN -0.551 8.042 8.370 -0.006 -0.227 0.524 335 D N -1.645 118.754 120.400 -0.002 0.000 2.491 335 D HA 0.163 nan 4.640 nan 0.000 0.228 335 D C -0.819 175.482 176.300 0.001 0.000 1.183 335 D CA -0.529 53.470 54.000 -0.001 0.000 0.827 335 D CB -0.160 40.640 40.800 -0.000 0.000 0.989 335 D HN 0.198 8.394 8.370 -0.001 0.173 0.494 336 L N 1.188 122.413 121.223 0.002 0.000 2.352 336 L HA 0.174 nan 4.340 nan 0.000 0.272 336 L C -1.025 175.847 176.870 0.003 0.000 1.109 336 L CA -0.665 54.178 54.840 0.004 0.000 0.952 336 L CB 0.071 42.134 42.059 0.007 0.000 1.314 336 L HN -0.631 7.431 8.230 0.001 0.169 0.427 337 T N 5.765 120.321 114.554 0.003 0.000 2.952 337 T HA 0.527 nan 4.350 nan 0.000 0.286 337 T C -0.948 173.753 174.700 0.003 0.000 1.024 337 T CA -3.415 58.686 62.100 0.002 0.000 1.029 337 T CB 1.158 70.027 68.868 0.001 0.000 1.094 337 T HN -0.406 7.836 8.240 0.003 0.000 0.515 338 P HA -0.010 nan 4.420 nan 0.000 0.225 338 P C 0.756 178.058 177.300 0.003 0.000 1.148 338 P CA 2.045 65.147 63.100 0.003 0.000 0.779 338 P CB 0.179 31.881 31.700 0.002 0.000 0.780 339 S N -0.377 115.325 115.700 0.002 0.000 2.406 339 S HA -0.207 nan 4.470 nan 0.000 0.228 339 S C 1.019 175.621 174.600 0.002 0.000 1.020 339 S CA 3.347 61.548 58.200 0.002 0.000 0.965 339 S CB 0.177 63.378 63.200 0.001 0.000 0.798 339 S HN -0.440 7.816 8.310 0.002 0.055 0.488 340 V N -7.009 112.907 119.914 0.003 0.000 3.649 340 V HA 0.208 nan 4.120 nan 0.000 0.275 340 V C -0.888 175.208 176.094 0.005 0.000 1.281 340 V CA -1.179 61.123 62.300 0.004 0.000 1.143 340 V CB -0.922 30.903 31.823 0.004 0.000 0.892 340 V HN -0.663 7.404 8.190 0.003 0.125 0.441 341 L N 0.825 122.050 121.223 0.005 0.000 2.371 341 L HA 0.302 nan 4.340 nan 0.000 0.272 341 L C -0.116 176.756 176.870 0.003 0.000 1.124 341 L CA -0.629 54.215 54.840 0.005 0.000 0.816 341 L CB 0.093 42.156 42.059 0.006 0.000 1.129 341 L HN -0.943 7.224 8.230 0.004 0.065 0.448 342 G N 0.728 109.529 108.800 0.003 0.000 2.522 342 G HA2 0.422 nan 3.960 nan 0.000 0.304 342 G HA3 0.422 nan 3.960 nan 0.000 0.304 342 G C -2.014 172.885 174.900 -0.002 0.000 1.210 342 G CA -1.546 43.554 45.100 -0.000 0.000 0.960 342 G HN 0.544 8.736 8.290 0.005 0.101 0.497 343 E N -1.619 118.578 120.200 -0.005 0.000 2.317 343 E HA 0.776 nan 4.350 nan 0.000 0.270 343 E C -2.361 174.233 176.600 -0.010 0.000 0.885 343 E CA -1.161 55.235 56.400 -0.007 0.000 0.760 343 E CB 4.831 34.529 29.700 -0.004 0.000 1.227 343 E HN 0.143 8.399 8.360 -0.005 0.101 0.434 344 A N 1.027 123.839 122.820 -0.014 0.000 2.577 344 A HA 0.433 nan 4.320 nan 0.000 0.297 344 A C -0.900 176.673 177.584 -0.019 0.000 1.060 344 A CA -0.467 51.560 52.037 -0.017 0.000 0.697 344 A CB 2.802 21.788 19.000 -0.024 0.000 1.281 344 A HN 0.146 8.287 8.150 -0.014 0.000 0.402 345 E N 2.050 122.241 120.200 -0.014 0.000 2.077 345 E HA -0.233 nan 4.350 nan 0.000 0.193 345 E C 0.180 176.766 176.600 -0.023 0.000 0.989 345 E CA 3.695 60.087 56.400 -0.014 0.000 0.800 345 E CB 0.707 30.403 29.700 -0.008 0.000 0.746 345 E HN 0.082 8.318 8.360 -0.010 0.117 0.452 346 T N -0.783 113.754 114.554 -0.028 0.000 2.952 346 T HA 0.431 nan 4.350 nan 0.000 0.305 346 T C -2.377 172.285 174.700 -0.064 0.000 1.064 346 T CA -0.154 61.919 62.100 -0.044 0.000 1.008 346 T CB 3.119 71.969 68.868 -0.031 0.000 1.078 346 T HN -0.276 7.951 8.240 -0.022 0.000 0.459 347 V N 5.814 125.653 119.914 -0.125 0.000 2.380 347 V HA 0.717 nan 4.120 nan 0.000 0.286 347 V C -2.184 173.741 176.094 -0.281 0.000 1.015 347 V CA -0.910 61.257 62.300 -0.221 0.000 0.834 347 V CB 1.267 32.876 31.823 -0.356 0.000 1.009 347 V HN 1.156 9.157 8.190 -0.128 0.112 0.428 348 E N 6.077 126.192 120.200 -0.141 0.000 2.317 348 E HA 0.834 nan 4.350 nan 0.000 0.270 348 E C -2.609 174.036 176.600 0.074 0.000 0.885 348 E CA -2.338 54.018 56.400 -0.073 0.000 0.760 348 E CB 3.961 33.634 29.700 -0.046 0.000 1.227 348 E HN 0.779 9.115 8.360 -0.039 0.000 0.434 349 E N 3.025 123.316 120.200 0.152 0.000 2.191 349 E HA 0.551 nan 4.350 nan 0.000 0.278 349 E C -1.328 175.350 176.600 0.130 0.000 0.972 349 E CA -1.228 55.318 56.400 0.243 0.000 0.804 349 E CB 2.284 32.175 29.700 0.318 0.000 1.110 349 E HN 0.417 8.859 8.360 0.137 0.000 0.394 350 R N 2.916 123.496 120.500 0.133 0.000 2.604 350 R HA 0.292 nan 4.340 nan 0.000 0.270 350 R C -1.947 174.400 176.300 0.079 0.000 1.052 350 R CA -1.386 54.728 56.100 0.024 0.000 0.902 350 R CB 2.638 32.837 30.300 -0.168 0.000 1.233 350 R HN 0.604 9.022 8.270 0.246 0.000 0.455 351 K N 4.027 124.454 120.400 0.044 0.000 2.349 351 K HA 0.164 nan 4.320 nan 0.000 0.288 351 K C -0.920 175.717 176.600 0.061 0.000 1.058 351 K CA 0.326 56.648 56.287 0.058 0.000 0.953 351 K CB 0.649 33.170 32.500 0.034 0.000 0.997 351 K HN 0.374 8.634 8.250 0.018 0.000 0.477 352 I N 7.200 127.827 120.570 0.095 0.000 2.382 352 I HA 0.123 nan 4.170 nan 0.000 0.285 352 I C -0.089 176.070 176.117 0.070 0.000 1.007 352 I CA -2.050 59.309 61.300 0.098 0.000 1.142 352 I CB -0.757 37.340 38.000 0.161 0.000 1.289 352 I HN 0.449 8.721 8.210 0.102 0.000 0.453 353 G N 8.034 116.864 108.800 0.051 0.000 2.609 353 G HA2 -0.492 nan 3.960 nan 0.000 0.288 353 G HA3 -0.492 nan 3.960 nan 0.000 0.288 353 G C -0.273 174.646 174.900 0.033 0.000 1.211 353 G CA 1.435 46.559 45.100 0.040 0.000 0.963 353 G HN 0.522 8.840 8.290 0.046 0.000 0.541 354 D N 5.039 125.458 120.400 0.031 0.000 2.454 354 D HA 0.268 nan 4.640 nan 0.000 0.214 354 D C 0.216 176.533 176.300 0.028 0.000 1.088 354 D CA -0.119 53.895 54.000 0.025 0.000 0.855 354 D CB 1.647 42.458 40.800 0.019 0.000 1.025 354 D HN 0.058 8.449 8.370 0.034 0.000 0.502 355 D N 0.596 121.018 120.400 0.037 0.000 2.388 355 D HA 0.191 nan 4.640 nan 0.000 0.254 355 D C -1.418 174.917 176.300 0.058 0.000 1.111 355 D CA 0.406 54.431 54.000 0.041 0.000 0.993 355 D CB 1.580 42.405 40.800 0.042 0.000 1.118 355 D HN -0.671 7.724 8.370 0.042 0.000 0.502 356 R N -1.145 119.392 120.500 0.061 0.000 2.360 356 R HA 0.541 nan 4.340 nan 0.000 0.318 356 R C -1.052 175.313 176.300 0.109 0.000 0.950 356 R CA -0.688 55.463 56.100 0.086 0.000 0.837 356 R CB 1.325 31.664 30.300 0.065 0.000 1.165 356 R HN 0.245 8.544 8.270 0.049 0.000 0.458 357 M N 3.920 123.623 119.600 0.172 0.000 2.598 357 M HA 0.341 nan 4.480 nan 0.000 0.317 357 M C -1.060 175.390 176.300 0.250 0.000 1.179 357 M CA -0.886 54.507 55.300 0.155 0.000 0.936 357 M CB 4.395 37.056 32.600 0.102 0.000 1.713 357 M HN 0.365 8.788 8.290 0.221 0.000 0.460 358 T N 3.135 117.778 114.554 0.149 0.000 2.767 358 T HA 0.575 nan 4.350 nan 0.000 0.288 358 T C -1.283 173.452 174.700 0.058 0.000 0.963 358 T CA 0.374 62.596 62.100 0.204 0.000 1.019 358 T CB 0.327 69.327 68.868 0.220 0.000 0.923 358 T HN 0.468 8.741 8.240 0.055 0.000 0.468 359 F N 6.649 126.588 119.950 -0.018 0.000 2.388 359 F HA 0.547 nan 4.527 nan 0.000 0.358 359 F C -1.200 174.555 175.800 -0.075 0.000 1.122 359 F CA -1.397 56.577 58.000 -0.043 0.000 1.056 359 F CB 1.615 40.591 39.000 -0.040 0.000 1.155 359 F HN 1.117 9.547 8.300 0.404 0.112 0.461 360 V N 6.205 126.132 119.914 0.021 0.000 2.318 360 V HA 0.494 nan 4.120 nan 0.000 0.271 360 V C -1.449 174.647 176.094 0.003 0.000 1.030 360 V CA -0.735 61.557 62.300 -0.012 0.000 0.844 360 V CB -0.491 31.308 31.823 -0.040 0.000 1.015 360 V HN 0.928 9.084 8.190 -0.056 0.000 0.460 361 M N 5.437 125.046 119.600 0.015 0.000 2.662 361 M HA 0.540 nan 4.480 nan 0.000 0.310 361 M C 0.231 176.531 176.300 0.000 0.000 1.204 361 M CA -1.332 53.977 55.300 0.015 0.000 0.891 361 M CB 4.194 36.818 32.600 0.040 0.000 1.732 361 M HN 0.941 9.235 8.290 0.006 0.000 0.467 362 G N -0.962 107.838 108.800 0.001 0.000 2.272 362 G HA2 -0.435 nan 3.960 nan 0.000 0.280 362 G HA3 -0.435 nan 3.960 nan 0.000 0.280 362 G C -0.347 174.551 174.900 -0.003 0.000 1.067 362 G CA 0.058 45.159 45.100 0.002 0.000 0.902 362 G HN 0.051 8.342 8.290 0.002 0.000 0.500 363 C N -2.344 116.952 119.300 -0.006 0.000 2.700 363 C HA -0.077 nan 4.460 nan 0.000 0.397 363 C C 1.231 176.219 174.990 -0.004 0.000 1.301 363 C CA 0.181 59.194 59.018 -0.009 0.000 2.219 363 C CB 0.445 28.177 27.740 -0.014 0.000 2.699 363 C HN -0.050 8.175 8.230 -0.008 0.000 0.669 364 K N 3.143 123.541 120.400 -0.004 0.000 2.063 364 K HA -0.400 nan 4.320 nan 0.000 0.208 364 K C 0.173 176.774 176.600 0.001 0.000 1.048 364 K CA 1.883 58.170 56.287 -0.001 0.000 0.928 364 K CB 0.331 32.830 32.500 -0.002 0.000 0.713 364 K HN 0.187 8.433 8.250 -0.006 0.000 0.442 365 N N -1.275 117.425 118.700 -0.000 0.000 2.437 365 N HA 0.204 nan 4.740 nan 0.000 0.259 365 N C -1.722 173.790 175.510 0.004 0.000 0.983 365 N CA -2.622 50.429 53.050 0.002 0.000 0.937 365 N CB 1.293 39.780 38.487 -0.000 0.000 1.122 365 N HN -0.421 7.954 8.380 -0.003 0.003 0.499 366 P HA -0.077 nan 4.420 nan 0.000 0.223 366 P C 0.053 177.368 177.300 0.024 0.000 1.151 366 P CA 1.093 64.205 63.100 0.020 0.000 0.787 366 P CB 0.350 32.065 31.700 0.025 0.000 0.788 367 K N -0.154 120.257 120.400 0.018 0.000 3.322 367 K HA -0.047 nan 4.320 nan 0.000 0.291 367 K C -1.531 175.076 176.600 0.012 0.000 1.131 367 K CA -0.889 55.410 56.287 0.020 0.000 1.185 367 K CB -2.460 30.048 32.500 0.015 0.000 1.338 367 K HN 0.147 8.360 8.250 0.013 0.045 0.380 368 A N -1.141 121.683 122.820 0.006 0.000 2.456 368 A HA 0.476 nan 4.320 nan 0.000 0.288 368 A C -2.297 175.260 177.584 -0.045 0.000 1.042 368 A CA -0.266 51.761 52.037 -0.018 0.000 0.738 368 A CB 2.484 21.468 19.000 -0.026 0.000 1.266 368 A HN -0.335 7.732 8.150 0.012 0.090 0.407 369 V N -2.947 116.924 119.914 -0.071 0.000 3.181 369 V HA 0.898 nan 4.120 nan 0.000 0.308 369 V C -2.297 173.678 176.094 -0.199 0.000 1.214 369 V CA -2.118 60.067 62.300 -0.190 0.000 1.053 369 V CB 3.434 35.142 31.823 -0.191 0.000 1.069 369 V HN 0.120 8.281 8.190 -0.048 0.000 0.441 370 S N -0.183 115.332 115.700 -0.309 0.000 2.570 370 S HA 0.939 nan 4.470 nan 0.000 0.286 370 S C -1.827 172.651 174.600 -0.203 0.000 1.099 370 S CA -1.094 56.981 58.200 -0.210 0.000 0.913 370 S CB 3.799 66.878 63.200 -0.202 0.000 1.085 370 S HN 0.536 8.556 8.310 -0.485 0.000 0.480 371 I N 2.509 123.025 120.570 -0.090 0.000 2.439 371 I HA 0.371 nan 4.170 nan 0.000 0.283 371 I C -2.165 173.949 176.117 -0.006 0.000 1.023 371 I CA -0.761 60.528 61.300 -0.019 0.000 1.100 371 I CB 2.437 40.450 38.000 0.023 0.000 1.238 371 I HN 0.951 9.113 8.210 -0.079 0.000 0.445 372 L N 8.714 129.952 121.223 0.026 0.000 2.270 372 L HA 0.480 nan 4.340 nan 0.000 0.286 372 L C -1.545 175.370 176.870 0.075 0.000 1.059 372 L CA -1.326 53.540 54.840 0.044 0.000 0.839 372 L CB 0.463 42.575 42.059 0.088 0.000 1.221 372 L HN 0.074 8.333 8.230 0.047 0.000 0.431 373 I N 8.375 128.979 120.570 0.058 0.000 2.575 373 I HA 0.133 nan 4.170 nan 0.000 0.285 373 I C -1.353 174.810 176.117 0.077 0.000 1.085 373 I CA 0.872 62.216 61.300 0.073 0.000 1.403 373 I CB 0.344 38.375 38.000 0.051 0.000 1.409 373 I HN 1.067 9.196 8.210 0.036 0.103 0.557 374 R N 6.104 126.659 120.500 0.093 0.000 2.888 374 R HA 0.700 nan 4.340 nan 0.000 0.266 374 R C -0.674 175.669 176.300 0.073 0.000 1.020 374 R CA -2.126 54.021 56.100 0.077 0.000 0.963 374 R CB 2.967 33.315 30.300 0.080 0.000 1.197 374 R HN -0.359 7.980 8.270 0.115 0.000 0.481 375 G N -3.293 105.541 108.800 0.057 0.000 4.589 375 G HA2 0.063 nan 3.960 nan 0.000 0.218 375 G HA3 0.063 nan 3.960 nan 0.000 0.218 375 G C -0.832 174.094 174.900 0.043 0.000 0.678 375 G CA 0.143 45.275 45.100 0.052 0.000 0.859 375 G HN 0.725 9.046 8.290 0.052 0.000 0.650 376 G N 0.826 109.650 108.800 0.040 0.000 3.031 376 G HA2 -0.451 nan 3.960 nan 0.000 0.289 376 G HA3 -0.451 nan 3.960 nan 0.000 0.289 376 G C 0.802 175.723 174.900 0.036 0.000 1.393 376 G CA 1.256 46.376 45.100 0.033 0.000 1.010 376 G HN -0.684 7.485 8.290 0.042 0.147 0.579 377 T N 0.444 115.019 114.554 0.035 0.000 2.924 377 T HA -0.387 nan 4.350 nan 0.000 0.256 377 T C 1.234 175.967 174.700 0.055 0.000 1.033 377 T CA 2.146 64.268 62.100 0.036 0.000 1.165 377 T CB -0.307 68.587 68.868 0.044 0.000 0.814 377 T HN 0.426 8.686 8.240 0.032 0.000 0.509 378 D N 0.133 120.581 120.400 0.079 0.000 3.328 378 D HA -0.344 nan 4.640 nan 0.000 0.215 378 D C 0.681 177.100 176.300 0.198 0.000 1.170 378 D CA 3.266 57.337 54.000 0.118 0.000 2.173 378 D CB -1.629 39.236 40.800 0.108 0.000 1.262 378 D HN 0.299 8.628 8.370 0.066 0.081 0.512 379 H N 0.695 119.772 119.070 0.012 0.000 2.563 379 H HA -0.010 nan 4.556 nan 0.000 0.272 379 H C 1.762 177.098 175.328 0.013 0.000 1.005 379 H CA 1.902 57.956 56.048 0.011 0.000 1.171 379 H CB 0.111 29.879 29.762 0.009 0.000 1.351 379 H HN -0.271 8.071 8.280 0.233 0.079 0.602 380 V N -0.660 119.325 119.914 0.117 0.000 2.908 380 V HA -0.027 nan 4.120 nan 0.000 0.240 380 V C 0.507 176.630 176.094 0.049 0.000 1.117 380 V CA 2.312 64.652 62.300 0.068 0.000 1.133 380 V CB 0.314 32.174 31.823 0.062 0.000 0.857 380 V HN -0.344 7.935 8.190 0.126 -0.013 0.478 381 V N 1.438 121.384 119.914 0.055 0.000 2.469 381 V HA -0.441 nan 4.120 nan 0.000 0.251 381 V C 2.015 178.125 176.094 0.028 0.000 1.064 381 V CA 4.104 66.430 62.300 0.045 0.000 1.066 381 V CB -1.427 30.425 31.823 0.049 0.000 0.667 381 V HN 0.248 8.479 8.190 0.068 0.000 0.461 382 S N -0.608 115.102 115.700 0.018 0.000 2.356 382 S HA -0.312 nan 4.470 nan 0.000 0.223 382 S C 2.140 176.729 174.600 -0.019 0.000 1.032 382 S CA 4.422 62.614 58.200 -0.013 0.000 1.005 382 S CB -0.406 62.761 63.200 -0.055 0.000 0.867 382 S HN 0.080 8.409 8.310 0.033 0.000 0.449 383 E N 2.362 122.551 120.200 -0.018 0.000 2.072 383 E HA -0.175 nan 4.350 nan 0.000 0.191 383 E C 2.226 178.826 176.600 0.001 0.000 0.985 383 E CA 2.563 58.955 56.400 -0.014 0.000 0.801 383 E CB -0.318 29.376 29.700 -0.010 0.000 0.750 383 E HN -0.382 7.969 8.360 -0.014 0.000 0.452 384 V N 1.012 120.934 119.914 0.013 0.000 2.332 384 V HA -0.467 nan 4.120 nan 0.000 0.248 384 V C 1.837 177.939 176.094 0.014 0.000 1.055 384 V CA 4.793 67.105 62.300 0.021 0.000 1.038 384 V CB -0.814 31.031 31.823 0.037 0.000 0.651 384 V HN 0.523 8.724 8.190 0.018 0.000 0.450 385 E N -0.788 119.418 120.200 0.010 0.000 2.072 385 E HA -0.391 nan 4.350 nan 0.000 0.191 385 E C 2.035 178.633 176.600 -0.003 0.000 0.985 385 E CA 3.546 59.949 56.400 0.004 0.000 0.801 385 E CB -0.160 29.541 29.700 0.002 0.000 0.750 385 E HN 0.056 8.322 8.360 0.012 0.101 0.452 386 R N -0.754 119.742 120.500 -0.007 0.000 2.105 386 R HA -0.318 nan 4.340 nan 0.000 0.239 386 R C 2.262 178.557 176.300 -0.008 0.000 1.135 386 R CA 3.130 59.224 56.100 -0.011 0.000 0.967 386 R CB -0.094 30.196 30.300 -0.017 0.000 0.861 386 R HN 0.097 8.178 8.270 -0.008 0.185 0.442 387 A N -0.253 122.565 122.820 -0.004 0.000 1.840 387 A HA -0.165 nan 4.320 nan 0.000 0.214 387 A C 1.866 179.447 177.584 -0.006 0.000 1.198 387 A CA 2.895 54.931 52.037 -0.002 0.000 0.608 387 A CB -0.714 18.288 19.000 0.003 0.000 0.839 387 A HN 0.366 8.272 8.150 -0.001 0.243 0.443 388 L N -1.826 119.394 121.223 -0.006 0.000 2.129 388 L HA -0.514 nan 4.340 nan 0.000 0.212 388 L C 2.130 178.993 176.870 -0.012 0.000 1.087 388 L CA 3.716 58.549 54.840 -0.012 0.000 0.757 388 L CB -0.063 41.990 42.059 -0.010 0.000 0.896 388 L HN 0.401 8.520 8.230 -0.001 0.110 0.434 389 N N -0.976 117.718 118.700 -0.009 0.000 2.142 389 N HA -0.347 nan 4.740 nan 0.000 0.186 389 N C 2.053 177.557 175.510 -0.010 0.000 1.023 389 N CA 3.947 56.992 53.050 -0.010 0.000 0.852 389 N CB -0.141 38.340 38.487 -0.010 0.000 0.998 389 N HN -0.071 8.295 8.380 -0.008 0.010 0.424 390 D N 0.693 121.087 120.400 -0.009 0.000 2.084 390 D HA -0.249 nan 4.640 nan 0.000 0.194 390 D C 1.823 178.117 176.300 -0.010 0.000 0.990 390 D CA 3.307 57.302 54.000 -0.008 0.000 0.826 390 D CB -0.261 40.535 40.800 -0.006 0.000 0.971 390 D HN -0.657 7.707 8.370 -0.009 0.000 0.453 391 A N 0.083 122.895 122.820 -0.013 0.000 1.903 391 A HA -0.321 nan 4.320 nan 0.000 0.219 391 A C 2.235 179.806 177.584 -0.021 0.000 1.191 391 A CA 3.221 55.247 52.037 -0.019 0.000 0.638 391 A CB -0.674 18.312 19.000 -0.024 0.000 0.823 391 A HN 0.188 8.331 8.150 -0.012 0.000 0.451 392 I N -2.435 118.125 120.570 -0.017 0.000 2.226 392 I HA -0.602 nan 4.170 nan 0.000 0.245 392 I C 2.247 178.357 176.117 -0.012 0.000 1.100 392 I CA 3.916 65.208 61.300 -0.014 0.000 1.374 392 I CB -0.354 37.641 38.000 -0.008 0.000 1.057 392 I HN 0.073 8.170 8.210 -0.016 0.105 0.413 393 R N -0.802 119.692 120.500 -0.010 0.000 2.070 393 R HA -0.341 nan 4.340 nan 0.000 0.233 393 R C 2.302 178.598 176.300 -0.007 0.000 1.137 393 R CA 3.817 59.913 56.100 -0.007 0.000 0.945 393 R CB -0.291 30.005 30.300 -0.006 0.000 0.845 393 R HN -0.418 7.759 8.270 -0.010 0.087 0.430 394 V N -2.685 117.224 119.914 -0.009 0.000 2.332 394 V HA -0.273 nan 4.120 nan 0.000 0.248 394 V C 1.772 177.856 176.094 -0.017 0.000 1.055 394 V CA 3.825 66.119 62.300 -0.009 0.000 1.038 394 V CB -1.227 30.590 31.823 -0.011 0.000 0.651 394 V HN 0.190 8.374 8.190 -0.010 0.000 0.450 395 V N 0.245 120.144 119.914 -0.025 0.000 2.407 395 V HA -0.424 nan 4.120 nan 0.000 0.248 395 V C 1.853 177.933 176.094 -0.023 0.000 1.055 395 V CA 4.271 66.550 62.300 -0.034 0.000 1.049 395 V CB -1.811 29.988 31.823 -0.040 0.000 0.662 395 V HN 0.073 8.248 8.190 -0.024 0.000 0.455 396 A N -0.149 122.662 122.820 -0.014 0.000 1.877 396 A HA -0.315 nan 4.320 nan 0.000 0.216 396 A C 1.959 179.541 177.584 -0.003 0.000 1.186 396 A CA 3.375 55.408 52.037 -0.007 0.000 0.620 396 A CB -0.840 18.157 19.000 -0.004 0.000 0.822 396 A HN -0.157 7.906 8.150 -0.014 0.078 0.443 397 I N -2.005 118.566 120.570 0.000 0.000 2.127 397 I HA -0.674 nan 4.170 nan 0.000 0.241 397 I C 1.793 177.915 176.117 0.009 0.000 1.075 397 I CA 4.739 66.043 61.300 0.008 0.000 1.334 397 I CB -0.184 37.825 38.000 0.015 0.000 1.040 397 I HN 0.264 8.473 8.210 -0.002 0.000 0.405 398 T N 1.687 116.244 114.554 0.005 0.000 2.720 398 T HA -0.390 nan 4.350 nan 0.000 0.268 398 T C 1.797 176.501 174.700 0.007 0.000 1.037 398 T CA 4.840 66.946 62.100 0.010 0.000 1.144 398 T CB -0.792 68.072 68.868 -0.007 0.000 0.864 398 T HN -0.121 8.119 8.240 -0.001 0.000 0.444 399 K N 0.789 121.186 120.400 -0.005 0.000 2.074 399 K HA -0.361 nan 4.320 nan 0.000 0.209 399 K C 1.533 178.135 176.600 0.002 0.000 1.048 399 K CA 2.774 59.058 56.287 -0.005 0.000 0.926 399 K CB -0.274 32.221 32.500 -0.009 0.000 0.713 399 K HN -0.103 8.141 8.250 -0.011 0.000 0.444 400 E N -2.755 117.448 120.200 0.004 0.000 2.008 400 E HA -0.174 nan 4.350 nan 0.000 0.191 400 E C 1.902 178.507 176.600 0.008 0.000 0.986 400 E CA 2.303 58.707 56.400 0.006 0.000 0.807 400 E CB 0.291 29.995 29.700 0.007 0.000 0.766 400 E HN -0.662 7.613 8.360 0.004 0.087 0.450 401 D N -3.502 116.904 120.400 0.011 0.000 2.178 401 D HA -0.196 nan 4.640 nan 0.000 0.201 401 D C 1.424 177.730 176.300 0.010 0.000 0.980 401 D CA 1.655 55.661 54.000 0.009 0.000 0.842 401 D CB 0.506 41.312 40.800 0.010 0.000 0.948 401 D HN -0.042 8.336 8.370 0.012 0.000 0.472 402 G N -1.442 107.371 108.800 0.023 0.000 2.168 402 G HA2 -0.518 nan 3.960 nan 0.000 0.263 402 G HA3 -0.518 nan 3.960 nan 0.000 0.263 402 G C -1.879 173.053 174.900 0.054 0.000 0.977 402 G CA 1.123 46.244 45.100 0.035 0.000 0.659 402 G HN 0.496 8.665 8.290 0.023 0.135 0.533 403 K N -1.565 118.862 120.400 0.044 0.000 2.385 403 K HA 1.060 nan 4.320 nan 0.000 0.248 403 K C -1.572 175.067 176.600 0.066 0.000 0.955 403 K CA -1.964 54.320 56.287 -0.005 0.000 0.816 403 K CB 3.665 36.115 32.500 -0.082 0.000 1.250 403 K HN -0.699 7.514 8.250 0.036 0.058 0.434 404 F N -3.062 116.778 119.950 -0.184 0.000 2.869 404 F HA 0.934 nan 4.527 nan 0.000 0.325 404 F C -2.704 172.902 175.800 -0.324 0.000 1.184 404 F CA -1.957 55.908 58.000 -0.225 0.000 0.951 404 F CB 2.637 41.493 39.000 -0.240 0.000 1.421 404 F HN 0.682 8.546 8.300 -0.551 0.106 0.501 405 L N -3.891 117.229 121.223 -0.172 0.000 2.359 405 L HA 0.419 nan 4.340 nan 0.000 0.256 405 L C -0.923 175.808 176.870 -0.232 0.000 1.026 405 L CA -1.569 53.058 54.840 -0.354 0.000 0.828 405 L CB 4.082 46.056 42.059 -0.142 0.000 1.406 405 L HN 0.708 8.912 8.230 0.123 0.100 0.413 406 W N -1.123 120.227 121.300 0.084 0.000 2.218 406 W HA 0.204 nan 4.660 nan 0.000 0.326 406 W C 0.556 177.123 176.519 0.079 0.000 1.276 406 W CA 0.086 57.499 57.345 0.113 0.000 1.210 406 W CB 1.088 30.586 29.460 0.063 0.000 1.143 406 W HN 0.148 8.198 8.180 -0.217 0.000 0.563 407 G N -0.540 108.463 108.800 0.339 0.000 2.531 407 G HA2 0.137 nan 3.960 nan 0.000 0.253 407 G HA3 0.137 nan 3.960 nan 0.000 0.253 407 G C -0.188 174.801 174.900 0.149 0.000 1.439 407 G CA -1.574 43.639 45.100 0.189 0.000 1.056 407 G HN 0.620 9.094 8.290 0.446 0.084 0.555 408 G N -1.433 107.424 108.800 0.096 0.000 2.258 408 G HA2 -0.454 nan 3.960 nan 0.000 0.274 408 G HA3 -0.454 nan 3.960 nan 0.000 0.274 408 G C 0.702 175.635 174.900 0.054 0.000 1.021 408 G CA 0.617 45.756 45.100 0.066 0.000 0.798 408 G HN 0.498 8.839 8.290 0.086 0.000 0.507 409 G N -3.799 105.034 108.800 0.055 0.000 2.159 409 G HA2 -0.542 nan 3.960 nan 0.000 0.256 409 G HA3 -0.542 nan 3.960 nan 0.000 0.256 409 G C 0.073 175.004 174.900 0.051 0.000 0.977 409 G CA 0.372 45.496 45.100 0.040 0.000 0.652 409 G HN 0.237 8.537 8.290 0.062 0.028 0.531 410 A N 1.201 124.071 122.820 0.082 0.000 1.873 410 A HA -0.211 nan 4.320 nan 0.000 0.215 410 A C 1.182 178.822 177.584 0.094 0.000 1.186 410 A CA 3.287 55.383 52.037 0.098 0.000 0.616 410 A CB -0.247 18.853 19.000 0.167 0.000 0.823 410 A HN -0.129 7.916 8.150 0.101 0.166 0.442 411 V N -0.579 119.394 119.914 0.097 0.000 2.255 411 V HA -0.554 nan 4.120 nan 0.000 0.247 411 V C 2.100 178.219 176.094 0.041 0.000 1.051 411 V CA 4.654 66.993 62.300 0.065 0.000 1.018 411 V CB -0.966 30.882 31.823 0.042 0.000 0.641 411 V HN -0.357 7.902 8.190 0.115 0.000 0.445 412 E N -0.937 119.282 120.200 0.030 0.000 2.085 412 E HA -0.440 nan 4.350 nan 0.000 0.194 412 E C 1.813 178.424 176.600 0.018 0.000 0.994 412 E CA 3.670 60.078 56.400 0.013 0.000 0.801 412 E CB -1.079 28.617 29.700 -0.006 0.000 0.743 412 E HN -0.127 8.254 8.360 0.035 0.000 0.453 413 A N -1.014 121.820 122.820 0.024 0.000 1.902 413 A HA -0.283 nan 4.320 nan 0.000 0.217 413 A C 2.317 179.918 177.584 0.030 0.000 1.181 413 A CA 3.062 55.113 52.037 0.023 0.000 0.623 413 A CB -0.758 18.256 19.000 0.023 0.000 0.818 413 A HN -0.279 7.888 8.150 0.029 0.000 0.443 414 E N -0.672 119.550 120.200 0.037 0.000 2.031 414 E HA -0.281 nan 4.350 nan 0.000 0.193 414 E C 2.188 178.808 176.600 0.034 0.000 0.994 414 E CA 2.420 58.842 56.400 0.036 0.000 0.800 414 E CB -0.372 29.354 29.700 0.043 0.000 0.752 414 E HN -0.459 7.927 8.360 0.044 0.000 0.447 415 L N -1.344 119.900 121.223 0.035 0.000 2.013 415 L HA -0.445 nan 4.340 nan 0.000 0.212 415 L C 2.198 179.107 176.870 0.064 0.000 1.073 415 L CA 3.168 58.035 54.840 0.045 0.000 0.753 415 L CB -0.603 41.492 42.059 0.060 0.000 0.890 415 L HN 0.050 8.301 8.230 0.035 0.000 0.432 416 A N -1.651 121.201 122.820 0.053 0.000 1.933 416 A HA -0.356 nan 4.320 nan 0.000 0.218 416 A C 2.203 179.822 177.584 0.059 0.000 1.175 416 A CA 2.931 55.002 52.037 0.056 0.000 0.628 416 A CB -0.786 18.229 19.000 0.025 0.000 0.814 416 A HN 0.403 8.469 8.150 0.039 0.108 0.444 417 M N -1.662 117.966 119.600 0.047 0.000 2.123 417 M HA -0.374 nan 4.480 nan 0.000 0.263 417 M C 2.147 178.479 176.300 0.054 0.000 1.069 417 M CA 3.400 58.727 55.300 0.044 0.000 1.133 417 M CB 0.131 32.752 32.600 0.034 0.000 1.356 417 M HN -0.552 7.663 8.290 0.040 0.100 0.415 418 R N -1.450 119.080 120.500 0.050 0.000 2.070 418 R HA -0.306 nan 4.340 nan 0.000 0.233 418 R C 2.567 178.921 176.300 0.089 0.000 1.137 418 R CA 3.500 59.633 56.100 0.054 0.000 0.945 418 R CB -0.031 30.284 30.300 0.025 0.000 0.845 418 R HN -0.040 8.255 8.270 0.043 0.000 0.430 419 L N -2.048 119.229 121.223 0.090 0.000 2.191 419 L HA -0.286 nan 4.340 nan 0.000 0.212 419 L C 1.878 178.856 176.870 0.180 0.000 1.103 419 L CA 2.614 57.542 54.840 0.147 0.000 0.769 419 L CB -0.691 41.457 42.059 0.148 0.000 0.908 419 L HN 0.312 8.587 8.230 0.074 0.000 0.438 420 A N -2.002 120.894 122.820 0.127 0.000 1.972 420 A HA -0.284 nan 4.320 nan 0.000 0.219 420 A C 1.614 179.254 177.584 0.094 0.000 1.169 420 A CA 2.981 55.080 52.037 0.103 0.000 0.635 420 A CB -0.836 18.208 19.000 0.074 0.000 0.810 420 A HN -0.385 7.808 8.150 0.107 0.021 0.446 421 K N -1.925 118.537 120.400 0.103 0.000 2.128 421 K HA -0.157 nan 4.320 nan 0.000 0.202 421 K C 2.160 178.826 176.600 0.109 0.000 1.050 421 K CA 2.358 58.697 56.287 0.087 0.000 0.966 421 K CB 0.209 32.756 32.500 0.078 0.000 0.759 421 K HN -0.519 7.659 8.250 0.108 0.137 0.454 422 Y N 0.219 120.527 120.300 0.014 0.000 2.315 422 Y HA -0.396 nan 4.550 nan 0.000 0.288 422 Y C 0.929 176.834 175.900 0.008 0.000 1.154 422 Y CA 2.679 60.782 58.100 0.006 0.000 1.229 422 Y CB -0.027 38.432 38.460 -0.001 0.000 0.980 422 Y HN -0.069 8.363 8.280 0.254 0.000 0.540 423 A N -1.567 121.279 122.820 0.043 0.000 1.877 423 A HA -0.332 nan 4.320 nan 0.000 0.216 423 A C 1.564 179.084 177.584 -0.106 0.000 1.186 423 A CA 2.678 54.692 52.037 -0.037 0.000 0.620 423 A CB -0.652 18.384 19.000 0.060 0.000 0.822 423 A HN -0.020 8.204 8.150 0.164 0.024 0.443 424 N N -1.689 116.976 118.700 -0.058 0.000 2.205 424 N HA -0.275 nan 4.740 nan 0.000 0.186 424 N C 1.309 176.760 175.510 -0.097 0.000 1.015 424 N CA 2.342 55.359 53.050 -0.056 0.000 0.862 424 N CB -0.226 38.248 38.487 -0.022 0.000 0.986 424 N HN -0.277 8.004 8.380 -0.014 0.091 0.429 425 S N -2.658 112.946 115.700 -0.161 0.000 2.701 425 S HA 0.009 nan 4.470 nan 0.000 0.220 425 S C -0.782 173.671 174.600 -0.245 0.000 0.954 425 S CA 0.627 58.717 58.200 -0.183 0.000 0.936 425 S CB 0.240 63.326 63.200 -0.189 0.000 0.777 425 S HN -0.561 7.509 8.310 -0.181 0.131 0.518 426 V N -0.274 119.497 119.914 -0.237 0.000 3.001 426 V HA 0.199 nan 4.120 nan 0.000 0.314 426 V C -0.168 175.860 176.094 -0.110 0.000 1.099 426 V CA -1.367 60.810 62.300 -0.205 0.000 0.989 426 V CB 3.484 35.141 31.823 -0.276 0.000 1.040 426 V HN -0.544 7.334 8.190 -0.198 0.193 0.434 427 G N 2.943 111.694 108.800 -0.081 0.000 2.554 427 G HA2 -0.161 nan 3.960 nan 0.000 0.238 427 G HA3 -0.161 nan 3.960 nan 0.000 0.238 427 G C 1.030 175.909 174.900 -0.035 0.000 1.259 427 G CA -0.251 44.819 45.100 -0.049 0.000 0.843 427 G HN 0.131 8.369 8.290 -0.086 0.000 0.582 428 G N 3.140 111.926 108.800 -0.024 0.000 2.875 428 G HA2 -0.430 nan 3.960 nan 0.000 0.227 428 G HA3 -0.430 nan 3.960 nan 0.000 0.227 428 G C 1.499 176.396 174.900 -0.005 0.000 1.259 428 G CA 2.274 47.367 45.100 -0.013 0.000 0.780 428 G HN 0.264 8.539 8.290 -0.025 0.000 0.685 429 R N -0.200 120.298 120.500 -0.003 0.000 2.094 429 R HA -0.272 nan 4.340 nan 0.000 0.239 429 R C 2.779 179.084 176.300 0.008 0.000 1.137 429 R CA 3.456 59.558 56.100 0.004 0.000 0.943 429 R CB -0.603 29.699 30.300 0.003 0.000 0.850 429 R HN 0.270 8.536 8.270 -0.007 0.000 0.433 430 E N -1.385 118.816 120.200 0.002 0.000 2.085 430 E HA -0.298 nan 4.350 nan 0.000 0.194 430 E C 2.453 179.068 176.600 0.025 0.000 0.994 430 E CA 3.442 59.848 56.400 0.011 0.000 0.801 430 E CB -0.861 28.838 29.700 -0.001 0.000 0.743 430 E HN 0.139 8.495 8.360 -0.007 0.000 0.453 431 Q N 0.176 119.978 119.800 0.003 0.000 2.077 431 Q HA -0.365 nan 4.340 nan 0.000 0.206 431 Q C 2.414 178.442 176.000 0.048 0.000 0.989 431 Q CA 3.336 59.143 55.803 0.007 0.000 0.853 431 Q CB -0.128 28.603 28.738 -0.013 0.000 0.907 431 Q HN 0.119 8.382 8.270 -0.012 0.000 0.418 432 L N -1.981 119.269 121.223 0.045 0.000 2.012 432 L HA -0.418 nan 4.340 nan 0.000 0.210 432 L C 2.073 179.007 176.870 0.106 0.000 1.073 432 L CA 2.780 57.658 54.840 0.062 0.000 0.748 432 L CB -0.599 41.486 42.059 0.044 0.000 0.891 432 L HN -0.391 7.779 8.230 0.028 0.077 0.431 433 A N -0.773 122.112 122.820 0.108 0.000 1.940 433 A HA -0.328 nan 4.320 nan 0.000 0.219 433 A C 2.195 179.972 177.584 0.323 0.000 1.176 433 A CA 3.076 55.224 52.037 0.186 0.000 0.631 433 A CB -0.841 18.207 19.000 0.079 0.000 0.814 433 A HN -0.548 7.579 8.150 0.069 0.064 0.446 434 I N -2.834 117.872 120.570 0.227 0.000 2.546 434 I HA -0.521 nan 4.170 nan 0.000 0.255 434 I C 2.222 178.482 176.117 0.238 0.000 1.163 434 I CA 3.854 65.299 61.300 0.241 0.000 1.457 434 I CB -0.366 37.745 38.000 0.186 0.000 1.092 434 I HN 0.262 8.477 8.210 0.155 0.089 0.434 435 E N 0.005 120.312 120.200 0.178 0.000 2.158 435 E HA -0.270 nan 4.350 nan 0.000 0.191 435 E C 2.192 178.882 176.600 0.151 0.000 0.982 435 E CA 3.055 59.540 56.400 0.142 0.000 0.823 435 E CB -0.352 29.405 29.700 0.096 0.000 0.766 435 E HN -0.067 8.294 8.360 0.153 0.091 0.468 436 A N 0.164 123.101 122.820 0.194 0.000 1.898 436 A HA -0.175 nan 4.320 nan 0.000 0.216 436 A C 1.731 179.405 177.584 0.151 0.000 1.181 436 A CA 3.006 55.156 52.037 0.189 0.000 0.620 436 A CB -0.688 18.477 19.000 0.274 0.000 0.819 436 A HN -0.058 8.127 8.150 0.210 0.090 0.442 437 F N -0.175 119.805 119.950 0.048 0.000 2.134 437 F HA -0.452 nan 4.527 nan 0.000 0.299 437 F C 0.910 176.669 175.800 -0.068 0.000 1.097 437 F CA 3.092 61.011 58.000 -0.136 0.000 1.264 437 F CB 0.202 39.122 39.000 -0.133 0.000 1.001 437 F HN -0.138 8.420 8.300 0.429 0.000 0.479 438 A N -1.489 121.470 122.820 0.233 0.000 1.908 438 A HA -0.401 nan 4.320 nan 0.000 0.218 438 A C 2.022 179.611 177.584 0.009 0.000 1.181 438 A CA 3.151 55.267 52.037 0.132 0.000 0.627 438 A CB -0.819 18.267 19.000 0.144 0.000 0.818 438 A HN -0.251 8.084 8.150 0.307 0.000 0.445 439 K N -2.140 118.263 120.400 0.005 0.000 2.057 439 K HA -0.313 nan 4.320 nan 0.000 0.207 439 K C 2.682 179.232 176.600 -0.084 0.000 1.049 439 K CA 2.693 58.966 56.287 -0.022 0.000 0.931 439 K CB -0.051 32.449 32.500 0.001 0.000 0.714 439 K HN -0.362 7.916 8.250 0.046 0.000 0.440 440 A N -0.112 122.612 122.820 -0.161 0.000 1.940 440 A HA -0.211 nan 4.320 nan 0.000 0.219 440 A C 2.430 179.861 177.584 -0.255 0.000 1.176 440 A CA 2.771 54.663 52.037 -0.242 0.000 0.631 440 A CB -0.901 17.857 19.000 -0.404 0.000 0.814 440 A HN -0.262 7.797 8.150 -0.152 0.000 0.446 441 L N -3.157 117.898 121.223 -0.280 0.000 2.131 441 L HA -0.382 nan 4.340 nan 0.000 0.210 441 L C 2.306 179.112 176.870 -0.106 0.000 1.092 441 L CA 2.780 57.498 54.840 -0.202 0.000 0.759 441 L CB -0.353 41.617 42.059 -0.148 0.000 0.903 441 L HN -0.411 7.619 8.230 -0.311 0.013 0.435 442 E N -0.936 119.216 120.200 -0.080 0.000 2.409 442 E HA -0.309 nan 4.350 nan 0.000 0.198 442 E C 1.976 178.548 176.600 -0.047 0.000 1.024 442 E CA 2.362 58.733 56.400 -0.047 0.000 0.861 442 E CB -0.545 29.136 29.700 -0.031 0.000 0.788 442 E HN -0.528 7.654 8.360 -0.087 0.126 0.521 443 I N 0.947 121.477 120.570 -0.067 0.000 2.454 443 I HA -0.351 nan 4.170 nan 0.000 0.254 443 I C 0.864 176.955 176.117 -0.044 0.000 1.156 443 I CA 2.419 63.685 61.300 -0.056 0.000 1.433 443 I CB -0.425 37.532 38.000 -0.072 0.000 1.082 443 I HN -0.343 7.638 8.210 -0.093 0.173 0.432 444 I N -0.139 120.404 120.570 -0.046 0.000 2.162 444 I HA -0.136 nan 4.170 nan 0.000 0.238 444 I C -1.137 174.971 176.117 -0.015 0.000 1.076 444 I CA 4.557 65.840 61.300 -0.029 0.000 1.353 444 I CB -3.712 34.271 38.000 -0.029 0.000 1.063 444 I HN -0.488 7.658 8.210 -0.059 0.028 0.408 445 P HA -0.228 nan 4.420 nan 0.000 0.216 445 P C 1.525 178.822 177.300 -0.005 0.000 1.150 445 P CA 3.193 66.291 63.100 -0.003 0.000 0.837 445 P CB -0.435 31.264 31.700 -0.001 0.000 0.786 446 R N -2.565 117.928 120.500 -0.011 0.000 2.092 446 R HA -0.266 nan 4.340 nan 0.000 0.231 446 R C 1.916 178.211 176.300 -0.009 0.000 1.119 446 R CA 3.584 59.678 56.100 -0.010 0.000 0.970 446 R CB -0.107 30.185 30.300 -0.014 0.000 0.864 446 R HN 0.009 8.265 8.270 -0.017 0.004 0.440 447 T N 3.196 117.743 114.554 -0.012 0.000 2.821 447 T HA -0.184 nan 4.350 nan 0.000 0.267 447 T C 2.205 176.902 174.700 -0.004 0.000 1.046 447 T CA 5.031 67.126 62.100 -0.010 0.000 1.139 447 T CB -0.621 68.239 68.868 -0.013 0.000 0.871 447 T HN -0.344 7.796 8.240 -0.015 0.091 0.454 448 L N -0.260 120.962 121.223 -0.002 0.000 2.141 448 L HA -0.328 nan 4.340 nan 0.000 0.209 448 L C 1.606 178.478 176.870 0.003 0.000 1.094 448 L CA 3.300 58.142 54.840 0.003 0.000 0.763 448 L CB -0.813 41.251 42.059 0.008 0.000 0.908 448 L HN 0.006 8.234 8.230 -0.003 0.000 0.437 449 A N -0.478 122.343 122.820 0.001 0.000 1.855 449 A HA -0.362 nan 4.320 nan 0.000 0.215 449 A C 2.086 179.670 177.584 0.000 0.000 1.191 449 A CA 3.241 55.279 52.037 0.001 0.000 0.613 449 A CB -1.044 17.956 19.000 -0.001 0.000 0.829 449 A HN -0.210 7.860 8.150 -0.000 0.079 0.442 450 E N -1.907 118.292 120.200 -0.002 0.000 2.085 450 E HA -0.373 nan 4.350 nan 0.000 0.194 450 E C 2.618 179.218 176.600 -0.000 0.000 0.994 450 E CA 2.947 59.346 56.400 -0.002 0.000 0.801 450 E CB -0.180 29.518 29.700 -0.004 0.000 0.743 450 E HN -0.068 8.291 8.360 -0.003 0.000 0.453 451 N N -2.020 116.680 118.700 0.000 0.000 2.142 451 N HA -0.180 nan 4.740 nan 0.000 0.186 451 N C 0.815 176.327 175.510 0.003 0.000 1.023 451 N CA 1.914 54.965 53.050 0.002 0.000 0.852 451 N CB 0.128 38.617 38.487 0.002 0.000 0.998 451 N HN -0.300 8.080 8.380 -0.000 0.000 0.424 452 A N -3.171 119.651 122.820 0.003 0.000 2.168 452 A HA -0.013 nan 4.320 nan 0.000 0.215 452 A C 0.299 177.885 177.584 0.003 0.000 1.152 452 A CA 0.728 52.767 52.037 0.004 0.000 0.716 452 A CB 0.368 19.371 19.000 0.005 0.000 0.794 452 A HN -0.435 7.717 8.150 0.003 0.000 0.465 453 G N -2.850 105.951 108.800 0.002 0.000 2.141 453 G HA2 -0.244 nan 3.960 nan 0.000 0.242 453 G HA3 -0.244 nan 3.960 nan 0.000 0.242 453 G C -0.247 174.654 174.900 0.001 0.000 0.982 453 G CA -0.077 45.024 45.100 0.002 0.000 0.662 453 G HN -0.438 7.679 8.290 0.002 0.174 0.527 454 I N -5.307 115.263 120.570 0.001 0.000 2.918 454 I HA 0.277 nan 4.170 nan 0.000 0.316 454 I C -0.972 175.145 176.117 -0.000 0.000 1.001 454 I CA -1.913 59.387 61.300 0.000 0.000 1.142 454 I CB 1.653 39.653 38.000 0.001 0.000 1.356 454 I HN -0.484 7.698 8.210 0.001 0.029 0.524 455 D N 2.318 122.717 120.400 -0.001 0.000 2.363 455 D HA 0.163 nan 4.640 nan 0.000 0.263 455 D C -0.408 175.891 176.300 -0.001 0.000 1.258 455 D CA -1.527 52.472 54.000 -0.001 0.000 0.907 455 D CB 0.421 41.221 40.800 -0.001 0.000 1.107 455 D HN 0.161 8.531 8.370 -0.000 0.000 0.495 456 P HA -0.177 nan 4.420 nan 0.000 0.214 456 P C 1.010 178.309 177.300 -0.002 0.000 1.162 456 P CA 2.247 65.345 63.100 -0.003 0.000 0.879 456 P CB 0.066 31.764 31.700 -0.004 0.000 0.786 457 I N -3.389 117.180 120.570 -0.002 0.000 2.194 457 I HA -0.474 nan 4.170 nan 0.000 0.246 457 I C 1.214 177.330 176.117 -0.001 0.000 1.093 457 I CA 2.876 64.176 61.300 -0.001 0.000 1.355 457 I CB -0.075 37.924 38.000 -0.001 0.000 1.046 457 I HN -0.005 8.203 8.210 -0.002 0.000 0.413 458 N N -2.077 116.623 118.700 -0.001 0.000 2.300 458 N HA -0.183 nan 4.740 nan 0.000 0.179 458 N C 2.005 177.515 175.510 -0.001 0.000 1.016 458 N CA 3.401 56.451 53.050 -0.001 0.000 0.876 458 N CB 0.344 38.831 38.487 -0.001 0.000 0.979 458 N HN -0.355 8.269 8.380 -0.001 -0.244 0.432 459 T N 4.143 118.697 114.554 -0.001 0.000 2.746 459 T HA -0.294 nan 4.350 nan 0.000 0.267 459 T C 1.876 176.576 174.700 -0.000 0.000 1.039 459 T CA 5.006 67.105 62.100 -0.001 0.000 1.142 459 T CB -0.507 68.361 68.868 -0.001 0.000 0.866 459 T HN -0.364 7.876 8.240 -0.001 0.000 0.444 460 L N 0.694 121.916 121.223 -0.001 0.000 2.046 460 L HA -0.395 nan 4.340 nan 0.000 0.208 460 L C 1.706 178.577 176.870 0.001 0.000 1.077 460 L CA 3.686 58.526 54.840 0.000 0.000 0.747 460 L CB -0.585 41.474 42.059 -0.001 0.000 0.896 460 L HN -0.228 8.001 8.230 -0.001 0.000 0.432 461 I N -0.907 119.664 120.570 0.001 0.000 2.163 461 I HA -0.649 nan 4.170 nan 0.000 0.243 461 I C 2.095 178.213 176.117 0.001 0.000 1.085 461 I CA 4.289 65.590 61.300 0.002 0.000 1.347 461 I CB -0.423 37.578 38.000 0.001 0.000 1.044 461 I HN -0.577 7.634 8.210 0.000 0.000 0.408 462 K N -0.727 119.672 120.400 -0.000 0.000 2.025 462 K HA -0.316 nan 4.320 nan 0.000 0.207 462 K C 2.513 179.112 176.600 -0.002 0.000 1.049 462 K CA 3.350 59.636 56.287 -0.002 0.000 0.933 462 K CB -0.072 32.426 32.500 -0.004 0.000 0.714 462 K HN -0.590 7.659 8.250 -0.001 0.000 0.438 463 L N 0.153 121.376 121.223 -0.001 0.000 2.042 463 L HA -0.370 nan 4.340 nan 0.000 0.210 463 L C 1.508 178.380 176.870 0.003 0.000 1.076 463 L CA 3.085 57.925 54.840 0.001 0.000 0.749 463 L CB -0.582 41.479 42.059 0.003 0.000 0.893 463 L HN 0.330 8.560 8.230 -0.000 0.000 0.432 464 K N -1.476 118.927 120.400 0.005 0.000 2.026 464 K HA -0.394 nan 4.320 nan 0.000 0.208 464 K C 2.119 178.723 176.600 0.006 0.000 1.048 464 K CA 2.993 59.285 56.287 0.008 0.000 0.929 464 K CB -0.270 32.235 32.500 0.009 0.000 0.713 464 K HN -0.024 8.228 8.250 0.004 0.000 0.439 465 A N -0.867 121.955 122.820 0.003 0.000 1.841 465 A HA -0.343 nan 4.320 nan 0.000 0.216 465 A C 2.188 179.772 177.584 -0.001 0.000 1.199 465 A CA 3.338 55.376 52.037 0.002 0.000 0.621 465 A CB -0.837 18.162 19.000 -0.001 0.000 0.835 465 A HN -0.572 7.579 8.150 0.003 0.000 0.445 466 D N -1.517 118.880 120.400 -0.005 0.000 2.133 466 D HA -0.365 nan 4.640 nan 0.000 0.195 466 D C 2.294 178.589 176.300 -0.008 0.000 0.997 466 D CA 4.049 58.043 54.000 -0.010 0.000 0.840 466 D CB -0.194 40.596 40.800 -0.017 0.000 0.947 466 D HN -0.315 8.052 8.370 -0.005 0.000 0.452 467 D N -1.337 119.062 120.400 -0.001 0.000 2.224 467 D HA -0.147 nan 4.640 nan 0.000 0.205 467 D C 2.897 179.202 176.300 0.008 0.000 0.965 467 D CA 3.464 57.468 54.000 0.006 0.000 0.852 467 D CB 0.253 41.062 40.800 0.015 0.000 0.947 467 D HN -0.329 8.041 8.370 0.001 0.000 0.494 468 E N -0.382 119.822 120.200 0.008 0.000 2.216 468 E HA -0.172 nan 4.350 nan 0.000 0.192 468 E C 1.039 177.642 176.600 0.006 0.000 0.988 468 E CA 1.597 58.002 56.400 0.010 0.000 0.834 468 E CB 0.008 29.715 29.700 0.010 0.000 0.772 468 E HN -0.458 7.798 8.360 0.006 0.108 0.479 469 K N -4.031 116.369 120.400 0.001 0.000 2.525 469 K HA -0.087 nan 4.320 nan 0.000 0.192 469 K C 0.059 176.658 176.600 -0.003 0.000 1.029 469 K CA 0.168 56.454 56.287 -0.002 0.000 1.029 469 K CB 0.233 32.730 32.500 -0.006 0.000 0.814 469 K HN -0.177 7.959 8.250 -0.000 0.113 0.503 470 G N -1.875 106.925 108.800 -0.000 0.000 2.159 470 G HA2 -0.393 nan 3.960 nan 0.000 0.227 470 G HA3 -0.393 nan 3.960 nan 0.000 0.227 470 G C -0.066 174.830 174.900 -0.006 0.000 0.986 470 G CA -0.250 44.850 45.100 0.001 0.000 0.651 470 G HN -0.360 7.711 8.290 0.002 0.220 0.523 471 R N 1.476 121.967 120.500 -0.015 0.000 4.164 471 R HA 0.039 nan 4.340 nan 0.000 0.195 471 R C 0.560 176.840 176.300 -0.034 0.000 1.712 471 R CA -1.405 54.674 56.100 -0.036 0.000 1.457 471 R CB -1.823 28.451 30.300 -0.045 0.000 1.387 471 R HN 0.274 8.536 8.270 -0.012 0.000 0.785 472 I N 1.144 121.709 120.570 -0.009 0.000 2.229 472 I HA -0.539 nan 4.170 nan 0.000 0.250 472 I C -0.292 175.845 176.117 0.032 0.000 1.096 472 I CA 3.282 64.605 61.300 0.038 0.000 1.358 472 I CB -0.116 37.940 38.000 0.094 0.000 1.047 472 I HN -0.299 7.842 8.210 -0.004 0.067 0.422 473 S N -4.602 111.010 115.700 -0.146 0.000 2.631 473 S HA -0.023 nan 4.470 nan 0.000 0.217 473 S C -0.503 173.972 174.600 -0.209 0.000 0.958 473 S CA -0.152 57.823 58.200 -0.376 0.000 0.920 473 S CB 0.020 62.563 63.200 -1.095 0.000 0.776 473 S HN -0.650 7.529 8.310 -0.175 0.026 0.517 474 V N 3.646 123.499 119.914 -0.101 0.000 2.427 474 V HA 0.063 nan 4.120 nan 0.000 0.268 474 V C -0.211 175.876 176.094 -0.011 0.000 1.046 474 V CA 0.967 63.229 62.300 -0.063 0.000 0.970 474 V CB -1.645 30.148 31.823 -0.050 0.000 1.001 474 V HN -0.448 7.637 8.190 -0.075 0.060 0.476 475 G N 6.363 115.162 108.800 -0.002 0.000 3.075 475 G HA2 0.679 nan 3.960 nan 0.000 0.253 475 G HA3 0.679 nan 3.960 nan 0.000 0.253 475 G C -2.240 172.668 174.900 0.013 0.000 1.353 475 G CA -1.837 43.279 45.100 0.026 0.000 1.051 475 G HN 0.199 8.476 8.290 -0.021 0.000 0.553 476 V N -0.886 119.040 119.914 0.019 0.000 2.455 476 V HA -0.021 nan 4.120 nan 0.000 0.273 476 V C -0.663 175.437 176.094 0.010 0.000 1.045 476 V CA 0.743 63.049 62.300 0.011 0.000 0.976 476 V CB -0.539 31.291 31.823 0.012 0.000 0.993 476 V HN 0.255 8.343 8.190 0.027 0.118 0.475 477 D N 7.442 127.844 120.400 0.004 0.000 2.381 477 D HA 0.330 nan 4.640 nan 0.000 0.235 477 D C 0.570 176.871 176.300 0.002 0.000 1.068 477 D CA -2.036 51.966 54.000 0.003 0.000 0.832 477 D CB 2.141 42.938 40.800 -0.004 0.000 1.101 477 D HN 0.466 8.733 8.370 0.000 0.103 0.515 478 L N 3.737 124.963 121.223 0.005 0.000 2.012 478 L HA -0.252 nan 4.340 nan 0.000 0.210 478 L C 0.966 177.837 176.870 0.002 0.000 1.073 478 L CA 2.982 57.824 54.840 0.004 0.000 0.748 478 L CB -0.348 41.715 42.059 0.007 0.000 0.891 478 L HN 0.367 8.602 8.230 0.008 0.000 0.431 479 D N 0.117 120.519 120.400 0.002 0.000 2.081 479 D HA -0.225 nan 4.640 nan 0.000 0.194 479 D C 1.549 177.848 176.300 -0.002 0.000 0.986 479 D CA 2.255 56.255 54.000 0.000 0.000 0.837 479 D CB -1.307 39.493 40.800 -0.000 0.000 0.985 479 D HN -0.253 8.320 8.370 0.003 -0.201 0.448 480 N N -2.337 116.361 118.700 -0.004 0.000 2.588 480 N HA -0.143 nan 4.740 nan 0.000 0.190 480 N C -0.624 174.883 175.510 -0.005 0.000 1.094 480 N CA 0.388 53.434 53.050 -0.006 0.000 0.921 480 N CB 0.045 38.526 38.487 -0.010 0.000 0.959 480 N HN -0.021 8.676 8.380 -0.005 -0.319 0.448 481 N N -0.391 118.307 118.700 -0.003 0.000 2.608 481 N HA -0.384 nan 4.740 nan 0.000 0.273 481 N C -1.411 174.097 175.510 -0.002 0.000 1.133 481 N CA 1.022 54.071 53.050 -0.002 0.000 0.726 481 N CB -0.648 37.838 38.487 -0.002 0.000 0.890 481 N HN -0.394 7.861 8.380 -0.002 0.124 0.548 482 G N -2.997 105.802 108.800 -0.002 0.000 2.286 482 G HA2 -0.150 nan 3.960 nan 0.000 0.118 482 G HA3 -0.150 nan 3.960 nan 0.000 0.118 482 G C -2.675 172.223 174.900 -0.003 0.000 1.267 482 G CA -0.048 45.050 45.100 -0.003 0.000 1.171 482 G HN 0.160 8.345 8.290 -0.001 0.104 0.465 483 V N -0.704 119.207 119.914 -0.006 0.000 3.134 483 V HA 0.817 nan 4.120 nan 0.000 0.313 483 V C -0.593 175.492 176.094 -0.015 0.000 1.069 483 V CA -3.207 59.088 62.300 -0.008 0.000 1.048 483 V CB 1.274 33.092 31.823 -0.009 0.000 1.119 483 V HN 0.252 8.438 8.190 -0.007 0.000 0.461 484 G N -0.235 108.552 108.800 -0.022 0.000 2.466 484 G HA2 0.136 nan 3.960 nan 0.000 0.291 484 G HA3 0.136 nan 3.960 nan 0.000 0.291 484 G C -2.789 172.078 174.900 -0.055 0.000 1.460 484 G CA 0.000 45.080 45.100 -0.034 0.000 0.791 484 G HN 0.315 8.593 8.290 -0.020 0.000 0.505 485 D N 0.953 121.305 120.400 -0.079 0.000 2.339 485 D HA 0.305 nan 4.640 nan 0.000 0.256 485 D C 1.299 177.514 176.300 -0.141 0.000 1.214 485 D CA -1.068 52.849 54.000 -0.138 0.000 0.877 485 D CB 0.424 41.128 40.800 -0.159 0.000 1.111 485 D HN 0.320 8.649 8.370 -0.068 0.000 0.478 486 M N 5.935 125.438 119.600 -0.161 0.000 2.394 486 M HA -0.255 nan 4.480 nan 0.000 0.264 486 M C 1.837 178.047 176.300 -0.150 0.000 1.073 486 M CA 0.875 56.134 55.300 -0.067 0.000 1.111 486 M CB -0.834 31.817 32.600 0.085 0.000 1.401 486 M HN 0.406 8.584 8.290 -0.186 0.000 0.448 487 K N 0.383 120.460 120.400 -0.539 0.000 2.063 487 K HA -0.323 nan 4.320 nan 0.000 0.208 487 K C 1.310 177.796 176.600 -0.189 0.000 1.048 487 K CA 3.169 59.041 56.287 -0.692 0.000 0.928 487 K CB -0.492 31.510 32.500 -0.830 0.000 0.713 487 K HN -0.188 7.929 8.250 -0.619 -0.238 0.442 488 A N -2.302 120.428 122.820 -0.150 0.000 1.874 488 A HA -0.048 nan 4.320 nan 0.000 0.214 488 A C 1.771 179.343 177.584 -0.020 0.000 1.189 488 A CA 2.316 54.314 52.037 -0.064 0.000 0.615 488 A CB -0.510 18.450 19.000 -0.066 0.000 0.830 488 A HN -0.763 7.354 8.150 -0.197 -0.085 0.443 489 K N -3.467 116.922 120.400 -0.018 0.000 2.439 489 K HA -0.133 nan 4.320 nan 0.000 0.197 489 K C 0.970 177.596 176.600 0.043 0.000 1.041 489 K CA 0.386 56.680 56.287 0.011 0.000 0.970 489 K CB 0.356 32.862 32.500 0.011 0.000 0.773 489 K HN -0.584 7.641 8.250 -0.043 0.000 0.479 490 G N -0.903 107.945 108.800 0.079 0.000 2.160 490 G HA2 -0.281 nan 3.960 nan 0.000 0.251 490 G HA3 -0.281 nan 3.960 nan 0.000 0.251 490 G C -0.515 174.469 174.900 0.141 0.000 1.008 490 G CA 0.187 45.364 45.100 0.129 0.000 0.724 490 G HN -0.190 7.983 8.290 0.063 0.155 0.514 491 V N -3.618 116.400 119.914 0.172 0.000 2.387 491 V HA 0.354 nan 4.120 nan 0.000 0.260 491 V C -1.016 175.222 176.094 0.239 0.000 1.054 491 V CA -1.421 60.971 62.300 0.154 0.000 0.967 491 V CB -1.094 30.801 31.823 0.120 0.000 1.036 491 V HN -0.722 7.570 8.190 0.171 0.000 0.481 492 V N 2.200 122.189 119.914 0.125 0.000 2.735 492 V HA 0.765 nan 4.120 nan 0.000 0.310 492 V C -1.238 174.883 176.094 0.046 0.000 1.061 492 V CA -2.209 60.148 62.300 0.095 0.000 0.913 492 V CB 2.634 34.371 31.823 -0.143 0.000 1.005 492 V HN -0.332 7.892 8.190 0.057 0.000 0.428 493 D N 4.524 124.973 120.400 0.081 0.000 2.248 493 D HA 0.659 nan 4.640 nan 0.000 0.246 493 D C -1.805 174.529 176.300 0.058 0.000 1.027 493 D CA -2.912 51.119 54.000 0.051 0.000 0.853 493 D CB 2.217 43.047 40.800 0.049 0.000 1.243 493 D HN 0.555 8.888 8.370 0.119 0.109 0.462 494 P HA 0.200 nan 4.420 nan 0.000 0.274 494 P C -0.352 176.963 177.300 0.025 0.000 1.237 494 P CA -0.322 62.802 63.100 0.041 0.000 0.793 494 P CB 1.267 32.981 31.700 0.024 0.000 0.977 495 L N 1.789 123.019 121.223 0.013 0.000 2.007 495 L HA -0.208 nan 4.340 nan 0.000 0.205 495 L C 1.731 178.592 176.870 -0.015 0.000 1.073 495 L CA 2.689 57.516 54.840 -0.021 0.000 0.744 495 L CB 0.063 42.094 42.059 -0.046 0.000 0.898 495 L HN 0.132 8.378 8.230 0.026 0.000 0.435 496 R N -0.585 119.920 120.500 0.009 0.000 2.134 496 R HA -0.480 nan 4.340 nan 0.000 0.248 496 R C 2.163 178.522 176.300 0.099 0.000 1.143 496 R CA 3.458 59.589 56.100 0.052 0.000 0.957 496 R CB -0.618 29.741 30.300 0.097 0.000 0.867 496 R HN -0.249 8.029 8.270 0.013 0.000 0.441 497 V N -2.383 117.577 119.914 0.077 0.000 2.407 497 V HA -0.265 nan 4.120 nan 0.000 0.248 497 V C 2.554 178.683 176.094 0.058 0.000 1.055 497 V CA 3.848 66.196 62.300 0.080 0.000 1.049 497 V CB -1.098 30.753 31.823 0.048 0.000 0.662 497 V HN 0.083 8.298 8.190 0.055 0.007 0.455 498 K N -0.721 119.691 120.400 0.021 0.000 1.984 498 K HA -0.243 nan 4.320 nan 0.000 0.209 498 K C 2.299 178.889 176.600 -0.017 0.000 1.046 498 K CA 2.878 59.166 56.287 0.003 0.000 0.934 498 K CB -0.701 31.791 32.500 -0.013 0.000 0.717 498 K HN -0.044 8.102 8.250 0.014 0.113 0.438 499 T N -1.567 112.943 114.554 -0.073 0.000 2.720 499 T HA -0.255 nan 4.350 nan 0.000 0.268 499 T C 2.444 177.043 174.700 -0.168 0.000 1.037 499 T CA 4.442 66.452 62.100 -0.149 0.000 1.144 499 T CB -0.805 67.914 68.868 -0.248 0.000 0.864 499 T HN -0.229 7.967 8.240 -0.074 0.000 0.444 500 H N 1.835 120.909 119.070 0.006 0.000 2.462 500 H HA -0.028 nan 4.556 nan 0.000 0.292 500 H C 1.922 177.258 175.328 0.013 0.000 1.049 500 H CA 2.588 58.641 56.048 0.009 0.000 1.334 500 H CB -0.387 29.378 29.762 0.005 0.000 1.404 500 H HN -0.269 7.958 8.280 -0.089 0.000 0.544 501 A N -0.000 122.884 122.820 0.107 0.000 1.929 501 A HA -0.176 nan 4.320 nan 0.000 0.216 501 A C 2.040 179.654 177.584 0.050 0.000 1.176 501 A CA 3.137 55.213 52.037 0.065 0.000 0.628 501 A CB -0.715 18.309 19.000 0.039 0.000 0.816 501 A HN -0.270 7.839 8.150 0.089 0.094 0.444 502 L N -2.047 119.203 121.223 0.045 0.000 2.044 502 L HA -0.395 nan 4.340 nan 0.000 0.205 502 L C 2.209 179.130 176.870 0.086 0.000 1.075 502 L CA 2.920 57.800 54.840 0.066 0.000 0.747 502 L CB -0.297 41.810 42.059 0.079 0.000 0.903 502 L HN -0.219 8.030 8.230 0.032 0.000 0.435 503 E N -0.779 119.461 120.200 0.066 0.000 2.058 503 E HA -0.372 nan 4.350 nan 0.000 0.194 503 E C 2.473 179.130 176.600 0.094 0.000 0.997 503 E CA 2.869 59.315 56.400 0.077 0.000 0.801 503 E CB -0.494 29.249 29.700 0.071 0.000 0.746 503 E HN 0.120 8.502 8.360 0.037 0.000 0.450 504 S N -0.052 115.707 115.700 0.099 0.000 2.353 504 S HA -0.376 nan 4.470 nan 0.000 0.222 504 S C 2.100 176.741 174.600 0.068 0.000 1.035 504 S CA 3.803 62.051 58.200 0.079 0.000 1.025 504 S CB -0.355 62.884 63.200 0.066 0.000 0.902 504 S HN -0.000 8.268 8.310 0.113 0.109 0.440 505 A N 1.258 124.115 122.820 0.060 0.000 1.917 505 A HA -0.279 nan 4.320 nan 0.000 0.219 505 A C 2.409 180.040 177.584 0.079 0.000 1.182 505 A CA 3.171 55.236 52.037 0.047 0.000 0.633 505 A CB -0.775 18.233 19.000 0.013 0.000 0.819 505 A HN -0.507 7.678 8.150 0.059 0.000 0.448 506 V N -1.347 118.635 119.914 0.114 0.000 2.323 506 V HA -0.485 nan 4.120 nan 0.000 0.244 506 V C 2.242 178.424 176.094 0.146 0.000 1.041 506 V CA 4.582 66.982 62.300 0.166 0.000 1.025 506 V CB -0.834 31.101 31.823 0.185 0.000 0.656 506 V HN -0.219 8.037 8.190 0.109 0.000 0.451 507 E N -0.391 119.874 120.200 0.107 0.000 2.058 507 E HA -0.430 nan 4.350 nan 0.000 0.194 507 E C 2.542 179.191 176.600 0.082 0.000 0.997 507 E CA 3.611 60.064 56.400 0.088 0.000 0.801 507 E CB -0.174 29.569 29.700 0.071 0.000 0.746 507 E HN -0.113 8.307 8.360 0.099 0.000 0.450 508 V N -0.841 119.119 119.914 0.076 0.000 2.427 508 V HA -0.305 nan 4.120 nan 0.000 0.248 508 V C 1.842 177.984 176.094 0.080 0.000 1.051 508 V CA 4.087 66.427 62.300 0.066 0.000 1.048 508 V CB -0.961 30.895 31.823 0.054 0.000 0.666 508 V HN 0.097 8.331 8.190 0.075 0.000 0.456 509 A N -1.476 121.408 122.820 0.106 0.000 1.933 509 A HA -0.327 nan 4.320 nan 0.000 0.218 509 A C 2.022 179.689 177.584 0.138 0.000 1.175 509 A CA 3.556 55.675 52.037 0.137 0.000 0.628 509 A CB -0.701 18.420 19.000 0.202 0.000 0.814 509 A HN 0.034 8.249 8.150 0.109 0.000 0.444 510 T N 1.647 116.285 114.554 0.140 0.000 2.777 510 T HA -0.338 nan 4.350 nan 0.000 0.266 510 T C 1.758 176.495 174.700 0.062 0.000 1.040 510 T CA 4.661 66.819 62.100 0.098 0.000 1.141 510 T CB -0.460 68.468 68.868 0.099 0.000 0.868 510 T HN -0.085 8.248 8.240 0.156 0.000 0.444 511 M N 2.259 121.896 119.600 0.061 0.000 2.080 511 M HA -0.438 nan 4.480 nan 0.000 0.260 511 M C 1.390 177.714 176.300 0.040 0.000 1.068 511 M CA 4.088 59.415 55.300 0.046 0.000 1.109 511 M CB 0.001 32.628 32.600 0.045 0.000 1.342 511 M HN -0.564 7.768 8.290 0.071 0.000 0.405 512 I N -2.798 117.801 120.570 0.048 0.000 2.353 512 I HA -0.322 nan 4.170 nan 0.000 0.248 512 I C 2.546 178.682 176.117 0.032 0.000 1.119 512 I CA 2.754 64.081 61.300 0.044 0.000 1.417 512 I CB 0.151 38.182 38.000 0.052 0.000 1.078 512 I HN -0.601 7.644 8.210 0.057 0.000 0.421 513 L N 0.572 121.814 121.223 0.032 0.000 2.201 513 L HA -0.258 nan 4.340 nan 0.000 0.212 513 L C 1.327 178.186 176.870 -0.018 0.000 1.105 513 L CA 2.485 57.328 54.840 0.005 0.000 0.775 513 L CB -0.183 41.876 42.059 0.001 0.000 0.913 513 L HN -0.153 8.106 8.230 0.048 0.000 0.440 514 R N -4.209 116.289 120.500 -0.003 0.000 2.236 514 R HA -0.149 nan 4.340 nan 0.000 0.208 514 R C 0.492 176.788 176.300 -0.007 0.000 1.036 514 R CA 0.981 57.076 56.100 -0.007 0.000 1.001 514 R CB 0.379 30.686 30.300 0.012 0.000 0.896 514 R HN -0.638 7.618 8.270 0.013 0.022 0.464 515 I N 0.939 121.509 120.570 0.001 0.000 2.471 515 I HA -0.154 nan 4.170 nan 0.000 0.286 515 I C 0.046 176.159 176.117 -0.006 0.000 1.079 515 I CA 1.268 62.570 61.300 0.004 0.000 1.398 515 I CB 0.344 38.353 38.000 0.015 0.000 1.403 515 I HN -0.722 7.342 8.210 0.007 0.150 0.530 516 D N 3.205 123.601 120.400 -0.007 0.000 2.503 516 D HA -0.004 nan 4.640 nan 0.000 0.218 516 D C -1.841 174.457 176.300 -0.003 0.000 1.183 516 D CA -0.704 53.289 54.000 -0.012 0.000 0.827 516 D CB 1.088 41.877 40.800 -0.019 0.000 1.034 516 D HN 0.402 8.771 8.370 -0.002 0.000 0.510 517 D N -1.936 118.465 120.400 0.002 0.000 2.871 517 D HA 0.214 nan 4.640 nan 0.000 0.209 517 D C -1.774 174.527 176.300 0.002 0.000 1.292 517 D CA -0.382 53.620 54.000 0.002 0.000 0.869 517 D CB 3.005 43.806 40.800 0.002 0.000 1.663 517 D HN -0.905 7.467 8.370 0.003 0.000 0.557 518 V N 3.879 123.793 119.914 -0.000 0.000 2.444 518 V HA 0.679 nan 4.120 nan 0.000 0.294 518 V C -2.148 173.939 176.094 -0.013 0.000 1.022 518 V CA -1.897 60.398 62.300 -0.008 0.000 0.850 518 V CB 2.194 34.009 31.823 -0.014 0.000 0.992 518 V HN 0.718 8.909 8.190 0.002 0.000 0.426 519 I N 0.000 120.561 120.570 -0.014 0.000 2.984 519 I HA 0.000 nan 4.170 nan 0.000 0.288 519 I CA 0.000 61.292 61.300 -0.014 0.000 1.566 519 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 519 I HN 0.000 8.202 8.210 -0.013 0.000 0.494